USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 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 -78:sc= 0.0122 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= -0.0167 USER MOD Set 2.1: A 54 HIS : no HD1:sc= 0.529 X(o=-0.23,f=-0.53) USER MOD Set 2.2: A 59 THR OG1 : rot 154:sc= 0.592 USER MOD Set 2.3: A 64 SER OG : rot -7:sc= 0.279 USER MOD Set 2.4: A 65 ASN : amide:sc= -1.63 X(o=-0.23,f=-0.71) USER MOD Set 3.1: A 36 MET CE :methyl -140:sc= -0.174 (180deg=-0.448) USER MOD Set 3.2: A 91 GLN : amide:sc= -1.62! C(o=-1.8!,f=-9.7!) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -125:sc= 0.224 (180deg=-0.871) USER MOD Single : A 34 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 38 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.3) USER MOD Single : A 39 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 98:sc= 0.0375 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 39:sc= 0.0462 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= 0 USER MOD Single : A 79 MET CE :methyl -123:sc= -0.562 (180deg=-2.35!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.148 (180deg=-0.543) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -38:sc= 0.0658 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 101 MET CE :methyl -162:sc= -1.32 (180deg=-1.5) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 119 ASN : amide:sc= -0.042 K(o=-0.042,f=-0.61) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 71:sc= 1.27 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -17.030 -10.142 -4.687 1.00 0.00 N ATOM 36 CA ASN A 26 -16.662 -8.767 -4.333 1.00 0.00 C ATOM 37 C ASN A 26 -16.282 -7.966 -5.574 1.00 0.00 C ATOM 38 O ASN A 26 -15.405 -7.108 -5.519 1.00 0.00 O ATOM 39 CB ASN A 26 -15.495 -8.761 -3.333 1.00 0.00 C ATOM 40 CG ASN A 26 -15.860 -9.371 -1.994 1.00 0.00 C ATOM 41 OD1 ASN A 26 -16.993 -9.251 -1.525 1.00 0.00 O ATOM 42 ND2 ASN A 26 -14.899 -10.039 -1.374 1.00 0.00 N ATOM 0 HA ASN A 26 -17.530 -8.299 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.655 -9.310 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.160 -7.735 -3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -15.083 -10.479 -0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -13.974 -10.114 -1.798 1.00 0.00 H new ATOM 49 N TYR A 27 -16.961 -8.240 -6.684 1.00 0.00 N ATOM 50 CA TYR A 27 -16.626 -7.639 -7.974 1.00 0.00 C ATOM 51 C TYR A 27 -16.690 -6.110 -7.926 1.00 0.00 C ATOM 52 O TYR A 27 -15.753 -5.432 -8.354 1.00 0.00 O ATOM 53 CB TYR A 27 -17.561 -8.188 -9.060 1.00 0.00 C ATOM 54 CG TYR A 27 -17.302 -7.633 -10.447 1.00 0.00 C ATOM 55 CD1 TYR A 27 -18.266 -6.879 -11.103 1.00 0.00 C ATOM 56 CD2 TYR A 27 -16.096 -7.865 -11.098 1.00 0.00 C ATOM 57 CE1 TYR A 27 -18.038 -6.375 -12.367 1.00 0.00 C ATOM 58 CE2 TYR A 27 -15.861 -7.363 -12.364 1.00 0.00 C ATOM 59 CZ TYR A 27 -16.836 -6.619 -12.993 1.00 0.00 C ATOM 60 OH TYR A 27 -16.614 -6.119 -14.255 1.00 0.00 O ATOM 0 H TYR A 27 -17.754 -8.880 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.597 -7.908 -8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -17.464 -9.273 -9.092 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -18.591 -7.969 -8.780 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -19.210 -6.684 -10.616 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -15.330 -8.447 -10.607 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -18.799 -5.791 -12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.919 -7.553 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.718 -6.378 -14.557 1.00 0.00 H new ATOM 70 N LEU A 28 -17.782 -5.568 -7.398 1.00 0.00 N ATOM 71 CA LEU A 28 -17.934 -4.119 -7.291 1.00 0.00 C ATOM 72 C LEU A 28 -16.904 -3.538 -6.331 1.00 0.00 C ATOM 73 O LEU A 28 -16.367 -2.450 -6.557 1.00 0.00 O ATOM 74 CB LEU A 28 -19.346 -3.747 -6.821 1.00 0.00 C ATOM 75 CG LEU A 28 -20.465 -3.999 -7.833 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.819 -3.668 -7.224 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.239 -3.178 -9.093 1.00 0.00 C ATOM 0 H LEU A 28 -18.571 -6.105 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.773 -3.696 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.568 -4.308 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.354 -2.691 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.454 -5.056 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.603 -3.853 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.987 -4.294 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.839 -2.619 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -21.045 -3.370 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.224 -2.118 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.286 -3.457 -9.543 1.00 0.00 H new ATOM 89 N ARG A 29 -16.632 -4.273 -5.264 1.00 0.00 N ATOM 90 CA ARG A 29 -15.657 -3.851 -4.274 1.00 0.00 C ATOM 91 C ARG A 29 -14.253 -3.863 -4.863 1.00 0.00 C ATOM 92 O ARG A 29 -13.423 -3.022 -4.517 1.00 0.00 O ATOM 93 CB ARG A 29 -15.731 -4.748 -3.040 1.00 0.00 C ATOM 94 CG ARG A 29 -14.734 -4.384 -1.952 1.00 0.00 C ATOM 95 CD ARG A 29 -14.999 -5.167 -0.678 1.00 0.00 C ATOM 96 NE ARG A 29 -16.361 -4.957 -0.196 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.978 -5.756 0.675 1.00 0.00 C ATOM 98 NH1 ARG A 29 -16.361 -6.826 1.164 1.00 0.00 N ATOM 99 NH2 ARG A 29 -18.220 -5.485 1.051 1.00 0.00 N ATOM 0 H ARG A 29 -17.076 -5.169 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.890 -2.830 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.739 -4.698 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.561 -5.781 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.721 -4.585 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.793 -3.316 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.836 -6.229 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.289 -4.864 0.091 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.873 -4.148 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.407 -7.042 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.841 -7.432 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.700 -4.668 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.696 -6.094 1.717 1.00 0.00 H new ATOM 113 N LYS A 30 -13.997 -4.810 -5.761 1.00 0.00 N ATOM 114 CA LYS A 30 -12.713 -4.891 -6.448 1.00 0.00 C ATOM 115 C LYS A 30 -12.402 -3.571 -7.138 1.00 0.00 C ATOM 116 O LYS A 30 -11.316 -3.010 -6.967 1.00 0.00 O ATOM 117 CB LYS A 30 -12.713 -6.020 -7.486 1.00 0.00 C ATOM 118 CG LYS A 30 -12.684 -7.422 -6.897 1.00 0.00 C ATOM 119 CD LYS A 30 -11.468 -7.638 -6.013 1.00 0.00 C ATOM 120 CE LYS A 30 -11.315 -9.104 -5.634 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.945 -9.946 -6.804 1.00 0.00 N ATOM 0 H LYS A 30 -14.664 -5.533 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.948 -5.103 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.600 -5.921 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.848 -5.896 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.590 -7.591 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.682 -8.155 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.572 -7.299 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.560 -7.034 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.552 -9.201 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.249 -9.468 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.632 -10.720 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.949 -9.364 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.995 -10.343 -6.659 1.00 0.00 H new ATOM 135 N ALA A 31 -13.362 -3.067 -7.908 1.00 0.00 N ATOM 136 CA ALA A 31 -13.210 -1.784 -8.570 1.00 0.00 C ATOM 137 C ALA A 31 -13.071 -0.654 -7.562 1.00 0.00 C ATOM 138 O ALA A 31 -12.265 0.248 -7.754 1.00 0.00 O ATOM 139 CB ALA A 31 -14.389 -1.526 -9.493 1.00 0.00 C ATOM 0 H ALA A 31 -14.253 -3.531 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.296 -1.818 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.263 -0.561 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.440 -2.312 -10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.311 -1.520 -8.912 1.00 0.00 H new ATOM 145 N ALA A 32 -13.841 -0.720 -6.481 1.00 0.00 N ATOM 146 CA ALA A 32 -13.802 0.313 -5.450 1.00 0.00 C ATOM 147 C ALA A 32 -12.404 0.423 -4.856 1.00 0.00 C ATOM 148 O ALA A 32 -11.864 1.517 -4.694 1.00 0.00 O ATOM 149 CB ALA A 32 -14.816 0.019 -4.356 1.00 0.00 C ATOM 0 H ALA A 32 -14.499 -1.477 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.060 1.265 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.770 0.801 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.817 -0.011 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.589 -0.944 -3.898 1.00 0.00 H new ATOM 155 N LEU A 33 -11.815 -0.725 -4.557 1.00 0.00 N ATOM 156 CA LEU A 33 -10.466 -0.778 -4.015 1.00 0.00 C ATOM 157 C LEU A 33 -9.471 -0.277 -5.052 1.00 0.00 C ATOM 158 O LEU A 33 -8.471 0.362 -4.719 1.00 0.00 O ATOM 159 CB LEU A 33 -10.124 -2.210 -3.600 1.00 0.00 C ATOM 160 CG LEU A 33 -11.078 -2.832 -2.572 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.722 -4.287 -2.324 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.062 -2.048 -1.269 1.00 0.00 C ATOM 0 H LEU A 33 -12.253 -1.638 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.410 -0.137 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.114 -2.838 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.114 -2.222 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.088 -2.788 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.410 -4.710 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.798 -4.844 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.703 -4.352 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.747 -2.510 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.053 -2.050 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.374 -1.021 -1.458 1.00 0.00 H new ATOM 174 N THR A 34 -9.768 -0.553 -6.312 1.00 0.00 N ATOM 175 CA THR A 34 -8.951 -0.081 -7.414 1.00 0.00 C ATOM 176 C THR A 34 -9.050 1.439 -7.533 1.00 0.00 C ATOM 177 O THR A 34 -8.061 2.114 -7.807 1.00 0.00 O ATOM 178 CB THR A 34 -9.377 -0.743 -8.738 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.326 -2.172 -8.605 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.478 -0.307 -9.887 1.00 0.00 C ATOM 0 H THR A 34 -10.576 -1.106 -6.596 1.00 0.00 H new ATOM 0 HA THR A 34 -7.916 -0.355 -7.211 1.00 0.00 H new ATOM 0 HB THR A 34 -10.396 -0.428 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.125 -2.485 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.804 -0.791 -10.808 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.537 0.775 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.448 -0.592 -9.672 1.00 0.00 H new ATOM 188 N ASP A 35 -10.240 1.974 -7.280 1.00 0.00 N ATOM 189 CA ASP A 35 -10.461 3.414 -7.347 1.00 0.00 C ATOM 190 C ASP A 35 -9.697 4.111 -6.238 1.00 0.00 C ATOM 191 O ASP A 35 -9.126 5.183 -6.442 1.00 0.00 O ATOM 192 CB ASP A 35 -11.949 3.763 -7.232 1.00 0.00 C ATOM 193 CG ASP A 35 -12.744 3.417 -8.473 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.460 3.982 -9.549 1.00 0.00 O ATOM 195 OD2 ASP A 35 -13.677 2.593 -8.378 1.00 0.00 O ATOM 0 H ASP A 35 -11.066 1.432 -7.027 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.102 3.756 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.374 3.235 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.050 4.829 -7.030 1.00 0.00 H new ATOM 200 N MET A 36 -9.693 3.494 -5.062 1.00 0.00 N ATOM 201 CA MET A 36 -8.947 4.022 -3.927 1.00 0.00 C ATOM 202 C MET A 36 -7.459 4.036 -4.247 1.00 0.00 C ATOM 203 O MET A 36 -6.751 4.991 -3.929 1.00 0.00 O ATOM 204 CB MET A 36 -9.206 3.198 -2.661 1.00 0.00 C ATOM 205 CG MET A 36 -10.671 3.126 -2.265 1.00 0.00 C ATOM 206 SD MET A 36 -11.417 4.752 -2.027 1.00 0.00 S ATOM 207 CE MET A 36 -10.380 5.425 -0.731 1.00 0.00 C ATOM 0 H MET A 36 -10.198 2.629 -4.870 1.00 0.00 H new ATOM 0 HA MET A 36 -9.286 5.041 -3.740 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.831 2.186 -2.814 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.637 3.628 -1.836 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.224 2.588 -3.035 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.765 2.551 -1.344 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.997 5.973 -0.019 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.867 4.612 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.644 6.100 -1.168 1.00 0.00 H new ATOM 217 N LEU A 37 -6.998 2.973 -4.898 1.00 0.00 N ATOM 218 CA LEU A 37 -5.613 2.885 -5.340 1.00 0.00 C ATOM 219 C LEU A 37 -5.312 3.974 -6.368 1.00 0.00 C ATOM 220 O LEU A 37 -4.295 4.658 -6.281 1.00 0.00 O ATOM 221 CB LEU A 37 -5.343 1.505 -5.946 1.00 0.00 C ATOM 222 CG LEU A 37 -3.920 1.279 -6.468 1.00 0.00 C ATOM 223 CD1 LEU A 37 -2.935 1.123 -5.318 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.882 0.059 -7.375 1.00 0.00 C ATOM 0 H LEU A 37 -7.566 2.159 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.962 3.029 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.559 0.748 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.042 1.345 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.623 2.154 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.933 0.964 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.943 2.025 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.222 0.268 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.866 -0.092 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.201 -0.820 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.552 0.213 -8.221 1.00 0.00 H new ATOM 236 N GLN A 38 -6.222 4.139 -7.322 1.00 0.00 N ATOM 237 CA GLN A 38 -6.070 5.138 -8.374 1.00 0.00 C ATOM 238 C GLN A 38 -6.082 6.552 -7.806 1.00 0.00 C ATOM 239 O GLN A 38 -5.445 7.448 -8.352 1.00 0.00 O ATOM 240 CB GLN A 38 -7.175 4.986 -9.421 1.00 0.00 C ATOM 241 CG GLN A 38 -7.053 3.720 -10.254 1.00 0.00 C ATOM 242 CD GLN A 38 -5.781 3.687 -11.077 1.00 0.00 C ATOM 243 OE1 GLN A 38 -4.742 3.205 -10.625 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.852 4.203 -12.293 1.00 0.00 N ATOM 0 H GLN A 38 -7.079 3.589 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.103 4.971 -8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.143 4.989 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.157 5.851 -10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.078 2.852 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.914 3.642 -10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.732 4.593 -12.631 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.027 4.211 -12.893 1.00 0.00 H new ATOM 253 N THR A 39 -6.810 6.745 -6.715 1.00 0.00 N ATOM 254 CA THR A 39 -6.852 8.035 -6.040 1.00 0.00 C ATOM 255 C THR A 39 -5.564 8.269 -5.254 1.00 0.00 C ATOM 256 O THR A 39 -5.108 9.400 -5.102 1.00 0.00 O ATOM 257 CB THR A 39 -8.066 8.121 -5.096 1.00 0.00 C ATOM 258 OG1 THR A 39 -9.267 7.825 -5.827 1.00 0.00 O ATOM 259 CG2 THR A 39 -8.181 9.505 -4.472 1.00 0.00 C ATOM 0 H THR A 39 -7.381 6.022 -6.277 1.00 0.00 H new ATOM 0 HA THR A 39 -6.948 8.810 -6.801 1.00 0.00 H new ATOM 0 HB THR A 39 -7.928 7.394 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.318 6.861 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.047 9.535 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.279 9.722 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.299 10.250 -5.259 1.00 0.00 H new ATOM 267 N PHE A 40 -4.975 7.187 -4.771 1.00 0.00 N ATOM 268 CA PHE A 40 -3.719 7.267 -4.042 1.00 0.00 C ATOM 269 C PHE A 40 -2.563 7.610 -4.984 1.00 0.00 C ATOM 270 O PHE A 40 -1.617 8.296 -4.595 1.00 0.00 O ATOM 271 CB PHE A 40 -3.439 5.957 -3.302 1.00 0.00 C ATOM 272 CG PHE A 40 -2.212 6.020 -2.443 1.00 0.00 C ATOM 273 CD1 PHE A 40 -1.154 5.163 -2.676 1.00 0.00 C ATOM 274 CD2 PHE A 40 -2.109 6.950 -1.419 1.00 0.00 C ATOM 275 CE1 PHE A 40 -0.014 5.228 -1.907 1.00 0.00 C ATOM 276 CE2 PHE A 40 -0.970 7.016 -0.641 1.00 0.00 C ATOM 277 CZ PHE A 40 0.079 6.154 -0.886 1.00 0.00 C ATOM 0 H PHE A 40 -5.347 6.242 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.806 8.066 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.299 5.707 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.326 5.153 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.222 4.434 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.927 7.629 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.808 4.555 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.901 7.740 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.972 6.203 -0.280 1.00 0.00 H new ATOM 287 N VAL A 41 -2.646 7.108 -6.218 1.00 0.00 N ATOM 288 CA VAL A 41 -1.605 7.313 -7.229 1.00 0.00 C ATOM 289 C VAL A 41 -1.129 8.777 -7.317 1.00 0.00 C ATOM 290 O VAL A 41 0.073 9.027 -7.224 1.00 0.00 O ATOM 291 CB VAL A 41 -2.057 6.815 -8.625 1.00 0.00 C ATOM 292 CG1 VAL A 41 -1.068 7.234 -9.700 1.00 0.00 C ATOM 293 CG2 VAL A 41 -2.220 5.303 -8.620 1.00 0.00 C ATOM 0 H VAL A 41 -3.434 6.549 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.755 6.715 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.020 7.273 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.409 6.872 -10.670 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.996 8.321 -9.724 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.089 6.810 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.538 4.968 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.268 4.835 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.971 5.020 -7.882 1.00 0.00 H new ATOM 303 N PRO A 42 -2.036 9.770 -7.483 1.00 0.00 N ATOM 304 CA PRO A 42 -1.637 11.182 -7.551 1.00 0.00 C ATOM 305 C PRO A 42 -0.894 11.650 -6.305 1.00 0.00 C ATOM 306 O PRO A 42 -0.045 12.541 -6.379 1.00 0.00 O ATOM 307 CB PRO A 42 -2.961 11.940 -7.684 1.00 0.00 C ATOM 308 CG PRO A 42 -3.926 10.937 -8.208 1.00 0.00 C ATOM 309 CD PRO A 42 -3.493 9.616 -7.645 1.00 0.00 C ATOM 0 HA PRO A 42 -0.947 11.351 -8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.287 12.337 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.865 12.787 -8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.944 11.177 -7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.917 10.919 -9.298 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.982 9.406 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.737 8.794 -8.318 1.00 0.00 H new ATOM 317 N TYR A 43 -1.205 11.062 -5.155 1.00 0.00 N ATOM 318 CA TYR A 43 -0.567 11.469 -3.910 1.00 0.00 C ATOM 319 C TYR A 43 0.860 10.939 -3.838 1.00 0.00 C ATOM 320 O TYR A 43 1.718 11.518 -3.168 1.00 0.00 O ATOM 321 CB TYR A 43 -1.382 11.005 -2.698 1.00 0.00 C ATOM 322 CG TYR A 43 -2.671 11.778 -2.525 1.00 0.00 C ATOM 323 CD1 TYR A 43 -2.762 12.815 -1.604 1.00 0.00 C ATOM 324 CD2 TYR A 43 -3.790 11.486 -3.294 1.00 0.00 C ATOM 325 CE1 TYR A 43 -3.932 13.536 -1.454 1.00 0.00 C ATOM 326 CE2 TYR A 43 -4.962 12.199 -3.147 1.00 0.00 C ATOM 327 CZ TYR A 43 -5.029 13.223 -2.228 1.00 0.00 C ATOM 328 OH TYR A 43 -6.195 13.941 -2.090 1.00 0.00 O ATOM 0 H TYR A 43 -1.888 10.310 -5.059 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.528 12.558 -3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.612 9.945 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.777 11.111 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.905 13.062 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.742 10.687 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.986 14.340 -0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.824 11.955 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.869 13.592 -2.710 1.00 0.00 H new ATOM 338 N ARG A 44 1.108 9.837 -4.540 1.00 0.00 N ATOM 339 CA ARG A 44 2.439 9.239 -4.581 1.00 0.00 C ATOM 340 C ARG A 44 3.443 10.226 -5.141 1.00 0.00 C ATOM 341 O ARG A 44 4.580 10.261 -4.707 1.00 0.00 O ATOM 342 CB ARG A 44 2.461 7.973 -5.433 1.00 0.00 C ATOM 343 CG ARG A 44 1.488 6.906 -4.977 1.00 0.00 C ATOM 344 CD ARG A 44 1.669 5.618 -5.776 1.00 0.00 C ATOM 345 NE ARG A 44 1.687 5.862 -7.220 1.00 0.00 N ATOM 346 CZ ARG A 44 1.519 4.914 -8.141 1.00 0.00 C ATOM 347 NH1 ARG A 44 1.258 3.666 -7.775 1.00 0.00 N ATOM 348 NH2 ARG A 44 1.607 5.218 -9.430 1.00 0.00 N ATOM 0 H ARG A 44 0.405 9.340 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 44 2.706 8.976 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.235 8.239 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.469 7.559 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.637 6.703 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.466 7.268 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.600 5.136 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.861 4.927 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 44 1.838 6.818 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.185 3.429 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.130 2.943 -8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.803 6.177 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.478 4.492 -10.135 1.00 0.00 H new ATOM 362 N THR A 45 3.005 11.026 -6.105 1.00 0.00 N ATOM 363 CA THR A 45 3.852 12.050 -6.705 1.00 0.00 C ATOM 364 C THR A 45 4.516 12.936 -5.641 1.00 0.00 C ATOM 365 O THR A 45 5.682 13.304 -5.772 1.00 0.00 O ATOM 366 CB THR A 45 3.021 12.928 -7.657 1.00 0.00 C ATOM 367 OG1 THR A 45 2.238 12.093 -8.523 1.00 0.00 O ATOM 368 CG2 THR A 45 3.912 13.831 -8.493 1.00 0.00 C ATOM 0 H THR A 45 2.062 10.985 -6.490 1.00 0.00 H new ATOM 0 HA THR A 45 4.639 11.541 -7.261 1.00 0.00 H new ATOM 0 HB THR A 45 2.366 13.557 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.327 12.019 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.295 14.439 -9.155 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.489 14.482 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.592 13.221 -9.088 1.00 0.00 H new ATOM 376 N ALA A 46 3.793 13.230 -4.570 1.00 0.00 N ATOM 377 CA ALA A 46 4.341 14.020 -3.471 1.00 0.00 C ATOM 378 C ALA A 46 5.460 13.252 -2.773 1.00 0.00 C ATOM 379 O ALA A 46 6.507 13.804 -2.429 1.00 0.00 O ATOM 380 CB ALA A 46 3.242 14.371 -2.477 1.00 0.00 C ATOM 0 H ALA A 46 2.826 12.935 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 46 4.754 14.944 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.663 14.960 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.467 14.949 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.808 13.455 -2.076 1.00 0.00 H new ATOM 386 N VAL A 47 5.229 11.961 -2.610 1.00 0.00 N ATOM 387 CA VAL A 47 6.185 11.077 -1.962 1.00 0.00 C ATOM 388 C VAL A 47 7.390 10.838 -2.873 1.00 0.00 C ATOM 389 O VAL A 47 8.540 10.880 -2.433 1.00 0.00 O ATOM 390 CB VAL A 47 5.536 9.726 -1.583 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.567 8.767 -1.006 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.396 9.938 -0.597 1.00 0.00 C ATOM 0 H VAL A 47 4.376 11.496 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 47 6.518 11.563 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 47 5.131 9.281 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.083 7.825 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.347 8.584 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.010 9.204 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.952 8.976 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.780 10.411 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.639 10.579 -1.049 1.00 0.00 H new ATOM 402 N GLU A 48 7.108 10.621 -4.152 1.00 0.00 N ATOM 403 CA GLU A 48 8.137 10.327 -5.138 1.00 0.00 C ATOM 404 C GLU A 48 9.068 11.518 -5.319 1.00 0.00 C ATOM 405 O GLU A 48 10.279 11.350 -5.410 1.00 0.00 O ATOM 406 CB GLU A 48 7.508 9.945 -6.484 1.00 0.00 C ATOM 407 CG GLU A 48 6.604 8.723 -6.419 1.00 0.00 C ATOM 408 CD GLU A 48 7.322 7.492 -5.901 1.00 0.00 C ATOM 409 OE1 GLU A 48 7.026 7.052 -4.771 1.00 0.00 O ATOM 410 OE2 GLU A 48 8.196 6.966 -6.620 1.00 0.00 O ATOM 0 H GLU A 48 6.162 10.644 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 48 8.719 9.481 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.932 10.791 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.304 9.758 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.752 8.940 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.207 8.516 -7.413 1.00 0.00 H new ATOM 417 N LEU A 49 8.499 12.718 -5.358 1.00 0.00 N ATOM 418 CA LEU A 49 9.293 13.938 -5.491 1.00 0.00 C ATOM 419 C LEU A 49 10.244 14.090 -4.313 1.00 0.00 C ATOM 420 O LEU A 49 11.400 14.488 -4.479 1.00 0.00 O ATOM 421 CB LEU A 49 8.390 15.170 -5.602 1.00 0.00 C ATOM 422 CG LEU A 49 8.109 15.660 -7.029 1.00 0.00 C ATOM 423 CD1 LEU A 49 9.382 16.188 -7.673 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.511 14.548 -7.881 1.00 0.00 C ATOM 0 H LEU A 49 7.493 12.874 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 49 9.879 13.858 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.438 14.945 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.847 15.985 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 49 7.384 16.472 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.163 16.531 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.770 17.019 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.126 15.393 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.322 14.922 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.209 13.712 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.574 14.213 -7.436 1.00 0.00 H new ATOM 436 N CYS A 50 9.753 13.759 -3.129 1.00 0.00 N ATOM 437 CA CYS A 50 10.583 13.744 -1.936 1.00 0.00 C ATOM 438 C CYS A 50 11.704 12.713 -2.088 1.00 0.00 C ATOM 439 O CYS A 50 12.882 13.018 -1.866 1.00 0.00 O ATOM 440 CB CYS A 50 9.718 13.440 -0.710 1.00 0.00 C ATOM 441 SG CYS A 50 10.649 12.945 0.774 1.00 0.00 S ATOM 0 H CYS A 50 8.780 13.496 -2.969 1.00 0.00 H new ATOM 0 HA CYS A 50 11.042 14.723 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.125 14.323 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.017 12.645 -0.965 1.00 0.00 H new ATOM 446 N ALA A 51 11.328 11.505 -2.497 1.00 0.00 N ATOM 447 CA ALA A 51 12.283 10.425 -2.739 1.00 0.00 C ATOM 448 C ALA A 51 13.270 10.772 -3.856 1.00 0.00 C ATOM 449 O ALA A 51 14.327 10.160 -3.968 1.00 0.00 O ATOM 450 CB ALA A 51 11.547 9.141 -3.077 1.00 0.00 C ATOM 0 H ALA A 51 10.357 11.246 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 51 12.857 10.286 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.269 8.344 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.898 8.864 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.945 9.292 -3.973 1.00 0.00 H new ATOM 456 N LEU A 52 12.909 11.725 -4.700 1.00 0.00 N ATOM 457 CA LEU A 52 13.785 12.154 -5.783 1.00 0.00 C ATOM 458 C LEU A 52 14.816 13.169 -5.299 1.00 0.00 C ATOM 459 O LEU A 52 16.012 13.007 -5.534 1.00 0.00 O ATOM 460 CB LEU A 52 12.976 12.751 -6.944 1.00 0.00 C ATOM 461 CG LEU A 52 12.112 11.757 -7.729 1.00 0.00 C ATOM 462 CD1 LEU A 52 11.306 12.479 -8.796 1.00 0.00 C ATOM 463 CD2 LEU A 52 12.973 10.672 -8.360 1.00 0.00 C ATOM 0 H LEU A 52 12.017 12.217 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 52 14.312 11.268 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.329 13.534 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.668 13.230 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 52 11.421 11.283 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.699 11.758 -9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.657 13.217 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.984 12.981 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.338 9.979 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.691 11.128 -9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.508 10.131 -7.579 1.00 0.00 H new ATOM 475 N GLU A 53 14.350 14.201 -4.608 1.00 0.00 N ATOM 476 CA GLU A 53 15.209 15.324 -4.240 1.00 0.00 C ATOM 477 C GLU A 53 16.162 14.945 -3.107 1.00 0.00 C ATOM 478 O GLU A 53 17.323 15.354 -3.099 1.00 0.00 O ATOM 479 CB GLU A 53 14.346 16.532 -3.854 1.00 0.00 C ATOM 480 CG GLU A 53 15.101 17.855 -3.808 1.00 0.00 C ATOM 481 CD GLU A 53 15.501 18.266 -2.406 1.00 0.00 C ATOM 482 OE1 GLU A 53 16.649 18.001 -2.003 1.00 0.00 O ATOM 483 OE2 GLU A 53 14.666 18.874 -1.705 1.00 0.00 O ATOM 0 H GLU A 53 13.384 14.286 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 53 15.821 15.590 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.526 16.620 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.900 16.348 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.996 17.777 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.479 18.636 -4.245 1.00 0.00 H new ATOM 490 N HIS A 54 15.684 14.134 -2.177 1.00 0.00 N ATOM 491 CA HIS A 54 16.504 13.735 -1.035 1.00 0.00 C ATOM 492 C HIS A 54 17.025 12.314 -1.225 1.00 0.00 C ATOM 493 O HIS A 54 17.928 11.863 -0.516 1.00 0.00 O ATOM 494 CB HIS A 54 15.696 13.848 0.262 1.00 0.00 C ATOM 495 CG HIS A 54 15.336 15.258 0.620 1.00 0.00 C ATOM 496 ND1 HIS A 54 14.037 15.693 0.789 1.00 0.00 N ATOM 497 CD2 HIS A 54 16.122 16.335 0.855 1.00 0.00 C ATOM 498 CE1 HIS A 54 14.044 16.975 1.111 1.00 0.00 C ATOM 499 NE2 HIS A 54 15.295 17.388 1.159 1.00 0.00 N ATOM 0 H HIS A 54 14.743 13.740 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 54 17.361 14.406 -0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.782 13.262 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 54 16.270 13.409 1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.201 16.361 0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 54 13.172 17.582 1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.599 18.335 1.385 1.00 0.00 H new ATOM 508 N GLY A 55 16.445 11.631 -2.201 1.00 0.00 N ATOM 509 CA GLY A 55 16.822 10.273 -2.578 1.00 0.00 C ATOM 510 C GLY A 55 16.515 9.221 -1.524 1.00 0.00 C ATOM 511 O GLY A 55 16.401 8.038 -1.851 1.00 0.00 O ATOM 0 H GLY A 55 15.685 12.011 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.305 10.008 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.890 10.252 -2.795 1.00 0.00 H new ATOM 515 N GLY A 56 16.361 9.627 -0.272 1.00 0.00 N ATOM 516 CA GLY A 56 15.755 8.737 0.695 1.00 0.00 C ATOM 517 C GLY A 56 14.356 9.155 1.094 1.00 0.00 C ATOM 518 O GLY A 56 14.057 10.345 1.199 1.00 0.00 O ATOM 0 H GLY A 56 16.639 10.540 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.722 7.729 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.383 8.696 1.585 1.00 0.00 H new ATOM 522 N LEU A 57 13.503 8.166 1.328 1.00 0.00 N ATOM 523 CA LEU A 57 12.136 8.399 1.778 1.00 0.00 C ATOM 524 C LEU A 57 12.101 8.794 3.248 1.00 0.00 C ATOM 525 O LEU A 57 11.049 9.111 3.792 1.00 0.00 O ATOM 526 CB LEU A 57 11.291 7.151 1.555 1.00 0.00 C ATOM 527 CG LEU A 57 11.112 6.758 0.092 1.00 0.00 C ATOM 528 CD1 LEU A 57 11.163 5.251 -0.060 1.00 0.00 C ATOM 529 CD2 LEU A 57 9.798 7.300 -0.444 1.00 0.00 C ATOM 0 H LEU A 57 13.739 7.180 1.211 1.00 0.00 H new ATOM 0 HA LEU A 57 11.724 9.222 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.749 6.318 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.308 7.310 1.998 1.00 0.00 H new ATOM 0 HG LEU A 57 11.928 7.192 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.034 4.987 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.127 4.882 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.365 4.799 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.685 7.011 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.972 6.891 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.794 8.387 -0.365 1.00 0.00 H new ATOM 541 N ASP A 58 13.260 8.755 3.885 1.00 0.00 N ATOM 542 CA ASP A 58 13.383 9.078 5.300 1.00 0.00 C ATOM 543 C ASP A 58 12.869 10.484 5.590 1.00 0.00 C ATOM 544 O ASP A 58 12.341 10.756 6.666 1.00 0.00 O ATOM 545 CB ASP A 58 14.842 8.957 5.743 1.00 0.00 C ATOM 546 CG ASP A 58 15.407 7.573 5.503 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.318 6.719 6.411 1.00 0.00 O ATOM 548 OD2 ASP A 58 15.941 7.327 4.397 1.00 0.00 O ATOM 0 H ASP A 58 14.141 8.499 3.439 1.00 0.00 H new ATOM 0 HA ASP A 58 12.775 8.369 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.444 9.690 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.918 9.198 6.803 1.00 0.00 H new ATOM 553 N THR A 59 13.030 11.373 4.624 1.00 0.00 N ATOM 554 CA THR A 59 12.549 12.739 4.755 1.00 0.00 C ATOM 555 C THR A 59 11.073 12.848 4.384 1.00 0.00 C ATOM 556 O THR A 59 10.440 13.879 4.590 1.00 0.00 O ATOM 557 CB THR A 59 13.369 13.686 3.862 1.00 0.00 C ATOM 558 OG1 THR A 59 13.359 13.212 2.508 1.00 0.00 O ATOM 559 CG2 THR A 59 14.804 13.787 4.352 1.00 0.00 C ATOM 0 H THR A 59 13.492 11.172 3.737 1.00 0.00 H new ATOM 0 HA THR A 59 12.667 13.027 5.799 1.00 0.00 H new ATOM 0 HB THR A 59 12.914 14.676 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.487 13.967 1.896 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.363 14.462 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.814 14.171 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.266 12.800 4.332 1.00 0.00 H new ATOM 567 N CYS A 60 10.516 11.771 3.860 1.00 0.00 N ATOM 568 CA CYS A 60 9.173 11.804 3.316 1.00 0.00 C ATOM 569 C CYS A 60 8.135 11.549 4.407 1.00 0.00 C ATOM 570 O CYS A 60 7.458 10.523 4.418 1.00 0.00 O ATOM 571 CB CYS A 60 9.042 10.776 2.190 1.00 0.00 C ATOM 572 SG CYS A 60 10.306 10.948 0.885 1.00 0.00 S ATOM 0 H CYS A 60 10.975 10.862 3.800 1.00 0.00 H new ATOM 0 HA CYS A 60 8.987 12.797 2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.107 9.775 2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 60 8.054 10.868 1.740 1.00 0.00 H new ATOM 577 N ASP A 61 8.026 12.491 5.329 1.00 0.00 N ATOM 578 CA ASP A 61 7.061 12.389 6.411 1.00 0.00 C ATOM 579 C ASP A 61 5.952 13.411 6.201 1.00 0.00 C ATOM 580 O ASP A 61 6.214 14.544 5.787 1.00 0.00 O ATOM 581 CB ASP A 61 7.743 12.624 7.757 1.00 0.00 C ATOM 582 CG ASP A 61 6.905 12.139 8.924 1.00 0.00 C ATOM 583 OD1 ASP A 61 7.025 10.950 9.286 1.00 0.00 O ATOM 584 OD2 ASP A 61 6.129 12.941 9.486 1.00 0.00 O ATOM 0 H ASP A 61 8.595 13.337 5.350 1.00 0.00 H new ATOM 0 HA ASP A 61 6.633 11.387 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.705 12.112 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.946 13.688 7.877 1.00 0.00 H new ATOM 589 N GLY A 62 4.722 13.009 6.490 1.00 0.00 N ATOM 590 CA GLY A 62 3.575 13.852 6.206 1.00 0.00 C ATOM 591 C GLY A 62 3.576 15.139 7.003 1.00 0.00 C ATOM 592 O GLY A 62 3.522 15.117 8.235 1.00 0.00 O ATOM 0 H GLY A 62 4.496 12.111 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.560 14.090 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.661 13.298 6.422 1.00 0.00 H new ATOM 596 N GLY A 63 3.631 16.262 6.301 1.00 0.00 N ATOM 597 CA GLY A 63 3.611 17.551 6.957 1.00 0.00 C ATOM 598 C GLY A 63 4.972 18.214 6.985 1.00 0.00 C ATOM 599 O GLY A 63 5.131 19.286 7.568 1.00 0.00 O ATOM 0 H GLY A 63 3.689 16.302 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.904 18.204 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.250 17.429 7.978 1.00 0.00 H new ATOM 603 N SER A 64 5.957 17.593 6.350 1.00 0.00 N ATOM 604 CA SER A 64 7.304 18.133 6.343 1.00 0.00 C ATOM 605 C SER A 64 7.999 17.848 5.015 1.00 0.00 C ATOM 606 O SER A 64 7.505 17.052 4.213 1.00 0.00 O ATOM 607 CB SER A 64 8.099 17.534 7.502 1.00 0.00 C ATOM 608 OG SER A 64 8.110 16.114 7.432 1.00 0.00 O ATOM 0 H SER A 64 5.847 16.719 5.836 1.00 0.00 H new ATOM 0 HA SER A 64 7.250 19.215 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.122 17.911 7.479 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.663 17.852 8.449 1.00 0.00 H new ATOM 0 HG SER A 64 7.510 15.817 6.716 1.00 0.00 H new ATOM 614 N ASN A 65 9.142 18.500 4.793 1.00 0.00 N ATOM 615 CA ASN A 65 9.947 18.307 3.581 1.00 0.00 C ATOM 616 C ASN A 65 9.135 18.532 2.309 1.00 0.00 C ATOM 617 O ASN A 65 9.319 17.831 1.313 1.00 0.00 O ATOM 618 CB ASN A 65 10.578 16.908 3.558 1.00 0.00 C ATOM 619 CG ASN A 65 11.688 16.743 4.588 1.00 0.00 C ATOM 620 OD1 ASN A 65 12.857 17.006 4.300 1.00 0.00 O ATOM 621 ND2 ASN A 65 11.338 16.295 5.787 1.00 0.00 N ATOM 0 H ASN A 65 9.537 19.176 5.446 1.00 0.00 H new ATOM 0 HA ASN A 65 10.739 19.055 3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.804 16.163 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.979 16.712 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.047 16.158 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.360 16.088 5.989 1.00 0.00 H new ATOM 628 N GLY A 66 8.232 19.503 2.348 1.00 0.00 N ATOM 629 CA GLY A 66 7.461 19.843 1.168 1.00 0.00 C ATOM 630 C GLY A 66 6.228 18.977 0.998 1.00 0.00 C ATOM 631 O GLY A 66 5.392 19.243 0.136 1.00 0.00 O ATOM 0 H GLY A 66 8.020 20.061 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.159 20.889 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.093 19.743 0.286 1.00 0.00 H new ATOM 635 N ILE A 67 6.108 17.948 1.821 1.00 0.00 N ATOM 636 CA ILE A 67 4.975 17.046 1.749 1.00 0.00 C ATOM 637 C ILE A 67 3.812 17.602 2.564 1.00 0.00 C ATOM 638 O ILE A 67 3.996 18.021 3.708 1.00 0.00 O ATOM 639 CB ILE A 67 5.355 15.636 2.257 1.00 0.00 C ATOM 640 CG1 ILE A 67 6.477 15.061 1.390 1.00 0.00 C ATOM 641 CG2 ILE A 67 4.148 14.707 2.250 1.00 0.00 C ATOM 642 CD1 ILE A 67 6.808 13.622 1.707 1.00 0.00 C ATOM 0 H ILE A 67 6.785 17.718 2.548 1.00 0.00 H new ATOM 0 HA ILE A 67 4.672 16.961 0.705 1.00 0.00 H new ATOM 0 HB ILE A 67 5.704 15.720 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.190 15.137 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.373 15.668 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.444 13.723 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.372 15.114 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.762 14.619 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.611 13.281 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.127 13.542 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.925 13.002 1.550 1.00 0.00 H new ATOM 654 N PRO A 68 2.601 17.640 1.971 1.00 0.00 N ATOM 655 CA PRO A 68 1.403 18.165 2.639 1.00 0.00 C ATOM 656 C PRO A 68 1.078 17.415 3.930 1.00 0.00 C ATOM 657 O PRO A 68 1.620 16.340 4.195 1.00 0.00 O ATOM 658 CB PRO A 68 0.285 17.953 1.611 1.00 0.00 C ATOM 659 CG PRO A 68 0.983 17.821 0.303 1.00 0.00 C ATOM 660 CD PRO A 68 2.305 17.175 0.604 1.00 0.00 C ATOM 0 HA PRO A 68 1.536 19.206 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.297 17.060 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.410 18.793 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.401 17.214 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.122 18.795 -0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.243 16.088 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.075 17.484 -0.103 1.00 0.00 H new ATOM 668 N SER A 69 0.169 17.978 4.710 1.00 0.00 N ATOM 669 CA SER A 69 -0.195 17.416 5.998 1.00 0.00 C ATOM 670 C SER A 69 -1.042 16.167 5.801 1.00 0.00 C ATOM 671 O SER A 69 -1.903 16.135 4.919 1.00 0.00 O ATOM 672 CB SER A 69 -0.972 18.452 6.805 1.00 0.00 C ATOM 673 OG SER A 69 -0.229 19.650 6.953 1.00 0.00 O ATOM 0 H SER A 69 -0.334 18.832 4.469 1.00 0.00 H new ATOM 0 HA SER A 69 0.711 17.143 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.919 18.667 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.212 18.046 7.788 1.00 0.00 H new ATOM 0 HG SER A 69 -0.751 20.297 7.472 1.00 0.00 H new ATOM 679 N PRO A 70 -0.813 15.119 6.606 1.00 0.00 N ATOM 680 CA PRO A 70 -1.574 13.876 6.498 1.00 0.00 C ATOM 681 C PRO A 70 -3.051 14.122 6.762 1.00 0.00 C ATOM 682 O PRO A 70 -3.427 14.639 7.816 1.00 0.00 O ATOM 683 CB PRO A 70 -0.968 12.975 7.580 1.00 0.00 C ATOM 684 CG PRO A 70 -0.289 13.909 8.522 1.00 0.00 C ATOM 685 CD PRO A 70 0.182 15.068 7.686 1.00 0.00 C ATOM 0 HA PRO A 70 -1.516 13.433 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.738 12.394 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.262 12.264 7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.973 14.243 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.549 13.421 9.020 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.205 15.996 8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.189 14.906 7.301 1.00 0.00 H new ATOM 693 N THR A 71 -3.875 13.754 5.802 1.00 0.00 N ATOM 694 CA THR A 71 -5.301 14.014 5.865 1.00 0.00 C ATOM 695 C THR A 71 -6.067 12.876 5.216 1.00 0.00 C ATOM 696 O THR A 71 -5.474 11.896 4.768 1.00 0.00 O ATOM 697 CB THR A 71 -5.660 15.342 5.158 1.00 0.00 C ATOM 698 OG1 THR A 71 -5.008 15.414 3.884 1.00 0.00 O ATOM 699 CG2 THR A 71 -5.264 16.545 6.002 1.00 0.00 C ATOM 0 H THR A 71 -3.577 13.267 4.957 1.00 0.00 H new ATOM 0 HA THR A 71 -5.579 14.094 6.916 1.00 0.00 H new ATOM 0 HB THR A 71 -6.741 15.362 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.243 16.257 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.530 17.462 5.476 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.789 16.509 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.189 16.527 6.179 1.00 0.00 H new ATOM 707 N THR A 72 -7.378 13.009 5.158 1.00 0.00 N ATOM 708 CA THR A 72 -8.219 11.990 4.575 1.00 0.00 C ATOM 709 C THR A 72 -9.195 12.614 3.595 1.00 0.00 C ATOM 710 O THR A 72 -9.900 13.569 3.927 1.00 0.00 O ATOM 711 CB THR A 72 -8.997 11.213 5.652 1.00 0.00 C ATOM 712 OG1 THR A 72 -9.645 12.125 6.547 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.074 10.299 6.436 1.00 0.00 C ATOM 0 H THR A 72 -7.884 13.821 5.512 1.00 0.00 H new ATOM 0 HA THR A 72 -7.570 11.289 4.051 1.00 0.00 H new ATOM 0 HB THR A 72 -9.747 10.602 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.999 12.885 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.649 9.762 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.608 9.584 5.758 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.301 10.894 6.924 1.00 0.00 H new ATOM 721 N THR A 73 -9.213 12.084 2.384 1.00 0.00 N ATOM 722 CA THR A 73 -10.147 12.528 1.369 1.00 0.00 C ATOM 723 C THR A 73 -11.548 12.048 1.728 1.00 0.00 C ATOM 724 O THR A 73 -11.725 11.352 2.733 1.00 0.00 O ATOM 725 CB THR A 73 -9.757 12.005 -0.028 1.00 0.00 C ATOM 726 OG1 THR A 73 -9.911 10.584 -0.083 1.00 0.00 O ATOM 727 CG2 THR A 73 -8.320 12.370 -0.363 1.00 0.00 C ATOM 0 H THR A 73 -8.585 11.340 2.080 1.00 0.00 H new ATOM 0 HA THR A 73 -10.122 13.617 1.335 1.00 0.00 H new ATOM 0 HB THR A 73 -10.417 12.472 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.662 10.262 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.069 11.990 -1.353 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.208 13.454 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.651 11.928 0.375 1.00 0.00 H new ATOM 735 N ARG A 74 -12.537 12.415 0.929 1.00 0.00 N ATOM 736 CA ARG A 74 -13.919 12.070 1.232 1.00 0.00 C ATOM 737 C ARG A 74 -14.090 10.563 1.440 1.00 0.00 C ATOM 738 O ARG A 74 -14.763 10.141 2.379 1.00 0.00 O ATOM 739 CB ARG A 74 -14.850 12.555 0.116 1.00 0.00 C ATOM 740 CG ARG A 74 -16.318 12.232 0.355 1.00 0.00 C ATOM 741 CD ARG A 74 -16.822 12.839 1.660 1.00 0.00 C ATOM 742 NE ARG A 74 -16.722 14.300 1.667 1.00 0.00 N ATOM 743 CZ ARG A 74 -16.843 15.049 2.762 1.00 0.00 C ATOM 744 NH1 ARG A 74 -17.048 14.478 3.942 1.00 0.00 N ATOM 745 NH2 ARG A 74 -16.765 16.372 2.674 1.00 0.00 N ATOM 0 H ARG A 74 -12.411 12.949 0.069 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.186 12.571 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.738 13.634 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.538 12.105 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.914 12.609 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.454 11.151 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.860 12.547 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.247 12.433 2.493 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.549 14.773 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.113 13.463 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.140 15.054 4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.612 16.815 1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.858 16.945 3.513 1.00 0.00 H new ATOM 759 N TYR A 75 -13.471 9.752 0.589 1.00 0.00 N ATOM 760 CA TYR A 75 -13.622 8.305 0.687 1.00 0.00 C ATOM 761 C TYR A 75 -12.546 7.664 1.564 1.00 0.00 C ATOM 762 O TYR A 75 -12.713 6.533 2.016 1.00 0.00 O ATOM 763 CB TYR A 75 -13.594 7.675 -0.706 1.00 0.00 C ATOM 764 CG TYR A 75 -14.583 8.295 -1.666 1.00 0.00 C ATOM 765 CD1 TYR A 75 -14.176 8.741 -2.915 1.00 0.00 C ATOM 766 CD2 TYR A 75 -15.922 8.443 -1.322 1.00 0.00 C ATOM 767 CE1 TYR A 75 -15.072 9.316 -3.794 1.00 0.00 C ATOM 768 CE2 TYR A 75 -16.824 9.016 -2.196 1.00 0.00 C ATOM 769 CZ TYR A 75 -16.393 9.450 -3.431 1.00 0.00 C ATOM 770 OH TYR A 75 -17.287 10.021 -4.309 1.00 0.00 O ATOM 0 H TYR A 75 -12.866 10.068 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.586 8.117 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -12.590 7.770 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.803 6.609 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -13.141 8.637 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -16.262 8.104 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -14.738 9.659 -4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -17.861 9.123 -1.914 1.00 0.00 H new ATOM 0 HH TYR A 75 -18.178 10.041 -3.902 1.00 0.00 H new ATOM 780 N VAL A 76 -11.456 8.376 1.826 1.00 0.00 N ATOM 781 CA VAL A 76 -10.378 7.816 2.638 1.00 0.00 C ATOM 782 C VAL A 76 -10.713 7.950 4.115 1.00 0.00 C ATOM 783 O VAL A 76 -11.104 9.020 4.583 1.00 0.00 O ATOM 784 CB VAL A 76 -9.014 8.484 2.350 1.00 0.00 C ATOM 785 CG1 VAL A 76 -7.972 8.060 3.378 1.00 0.00 C ATOM 786 CG2 VAL A 76 -8.538 8.127 0.951 1.00 0.00 C ATOM 0 H VAL A 76 -11.294 9.327 1.495 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.290 6.763 2.371 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.145 9.564 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.021 8.544 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.303 8.355 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.846 6.978 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.576 8.604 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.429 7.046 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.267 8.475 0.219 1.00 0.00 H new ATOM 796 N SER A 77 -10.560 6.849 4.837 1.00 0.00 N ATOM 797 CA SER A 77 -10.985 6.781 6.227 1.00 0.00 C ATOM 798 C SER A 77 -9.857 7.199 7.165 1.00 0.00 C ATOM 799 O SER A 77 -10.089 7.907 8.150 1.00 0.00 O ATOM 800 CB SER A 77 -11.459 5.362 6.560 1.00 0.00 C ATOM 801 OG SER A 77 -12.069 5.306 7.836 1.00 0.00 O ATOM 0 H SER A 77 -10.143 5.989 4.481 1.00 0.00 H new ATOM 0 HA SER A 77 -11.814 7.475 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.167 5.026 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.611 4.677 6.530 1.00 0.00 H new ATOM 0 HG SER A 77 -12.502 4.435 7.954 1.00 0.00 H new ATOM 807 N ALA A 78 -8.638 6.771 6.852 1.00 0.00 N ATOM 808 CA ALA A 78 -7.480 7.074 7.678 1.00 0.00 C ATOM 809 C ALA A 78 -6.200 6.735 6.932 1.00 0.00 C ATOM 810 O ALA A 78 -6.157 5.766 6.174 1.00 0.00 O ATOM 811 CB ALA A 78 -7.542 6.306 8.992 1.00 0.00 C ATOM 0 H ALA A 78 -8.429 6.210 6.026 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.486 8.141 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.667 6.546 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.445 6.586 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.559 5.236 8.787 1.00 0.00 H new ATOM 817 N MET A 79 -5.172 7.545 7.137 1.00 0.00 N ATOM 818 CA MET A 79 -3.866 7.307 6.541 1.00 0.00 C ATOM 819 C MET A 79 -2.805 8.150 7.233 1.00 0.00 C ATOM 820 O MET A 79 -3.040 9.307 7.584 1.00 0.00 O ATOM 821 CB MET A 79 -3.862 7.606 5.034 1.00 0.00 C ATOM 822 CG MET A 79 -4.199 9.047 4.679 1.00 0.00 C ATOM 823 SD MET A 79 -3.587 9.525 3.047 1.00 0.00 S ATOM 824 CE MET A 79 -4.433 8.350 1.992 1.00 0.00 C ATOM 0 H MET A 79 -5.219 8.382 7.718 1.00 0.00 H new ATOM 0 HA MET A 79 -3.637 6.250 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 79 -2.878 7.366 4.631 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.578 6.947 4.543 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.280 9.181 4.711 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.773 9.711 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.700 7.786 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.016 7.664 2.606 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.098 8.884 1.313 1.00 0.00 H new ATOM 834 N SER A 80 -1.643 7.560 7.434 1.00 0.00 N ATOM 835 CA SER A 80 -0.520 8.258 8.037 1.00 0.00 C ATOM 836 C SER A 80 0.726 8.031 7.196 1.00 0.00 C ATOM 837 O SER A 80 0.930 6.937 6.673 1.00 0.00 O ATOM 838 CB SER A 80 -0.292 7.758 9.466 1.00 0.00 C ATOM 839 OG SER A 80 -1.478 7.861 10.240 1.00 0.00 O ATOM 0 H SER A 80 -1.449 6.590 7.186 1.00 0.00 H new ATOM 0 HA SER A 80 -0.738 9.325 8.076 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.041 6.721 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.503 8.338 9.935 1.00 0.00 H new ATOM 0 HG SER A 80 -1.306 7.534 11.148 1.00 0.00 H new ATOM 845 N VAL A 81 1.551 9.060 7.060 1.00 0.00 N ATOM 846 CA VAL A 81 2.747 8.974 6.241 1.00 0.00 C ATOM 847 C VAL A 81 3.981 8.965 7.131 1.00 0.00 C ATOM 848 O VAL A 81 4.216 9.913 7.881 1.00 0.00 O ATOM 849 CB VAL A 81 2.840 10.161 5.253 1.00 0.00 C ATOM 850 CG1 VAL A 81 4.000 9.979 4.285 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.532 10.339 4.499 1.00 0.00 C ATOM 0 H VAL A 81 1.411 9.965 7.509 1.00 0.00 H new ATOM 0 HA VAL A 81 2.693 8.050 5.666 1.00 0.00 H new ATOM 0 HB VAL A 81 3.026 11.065 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.041 10.828 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.934 9.917 4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.857 9.061 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.621 11.179 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.309 9.432 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.727 10.534 5.208 1.00 0.00 H new ATOM 861 N ALA A 82 4.766 7.902 7.050 1.00 0.00 N ATOM 862 CA ALA A 82 5.959 7.767 7.862 1.00 0.00 C ATOM 863 C ALA A 82 7.107 7.236 7.017 1.00 0.00 C ATOM 864 O ALA A 82 7.123 6.073 6.631 1.00 0.00 O ATOM 865 CB ALA A 82 5.694 6.835 9.035 1.00 0.00 C ATOM 0 H ALA A 82 4.594 7.116 6.424 1.00 0.00 H new ATOM 0 HA ALA A 82 6.233 8.748 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.598 6.742 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.890 7.241 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.404 5.853 8.661 1.00 0.00 H new ATOM 871 N LYS A 83 8.065 8.111 6.763 1.00 0.00 N ATOM 872 CA LYS A 83 9.229 7.787 5.931 1.00 0.00 C ATOM 873 C LYS A 83 8.764 7.241 4.569 1.00 0.00 C ATOM 874 O LYS A 83 9.337 6.292 4.032 1.00 0.00 O ATOM 875 CB LYS A 83 10.111 6.737 6.626 1.00 0.00 C ATOM 876 CG LYS A 83 10.417 7.044 8.086 1.00 0.00 C ATOM 877 CD LYS A 83 11.351 8.232 8.237 1.00 0.00 C ATOM 878 CE LYS A 83 11.711 8.474 9.692 1.00 0.00 C ATOM 879 NZ LYS A 83 12.322 7.270 10.315 1.00 0.00 N ATOM 0 H LYS A 83 8.065 9.065 7.123 1.00 0.00 H new ATOM 0 HA LYS A 83 9.810 8.697 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.617 5.767 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.051 6.650 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.486 7.246 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.867 6.168 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.259 8.058 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.878 9.123 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.405 9.311 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.816 8.756 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.825 7.545 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.576 6.584 10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.993 6.837 9.649 1.00 0.00 H new ATOM 893 N GLY A 84 7.708 7.843 4.034 1.00 0.00 N ATOM 894 CA GLY A 84 7.100 7.384 2.794 1.00 0.00 C ATOM 895 C GLY A 84 6.120 6.236 2.999 1.00 0.00 C ATOM 896 O GLY A 84 5.209 6.038 2.195 1.00 0.00 O ATOM 0 H GLY A 84 7.253 8.658 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.581 8.217 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.885 7.066 2.107 1.00 0.00 H new ATOM 900 N VAL A 85 6.303 5.495 4.081 1.00 0.00 N ATOM 901 CA VAL A 85 5.420 4.386 4.424 1.00 0.00 C ATOM 902 C VAL A 85 4.070 4.919 4.869 1.00 0.00 C ATOM 903 O VAL A 85 4.008 5.830 5.686 1.00 0.00 O ATOM 904 CB VAL A 85 6.023 3.515 5.549 1.00 0.00 C ATOM 905 CG1 VAL A 85 5.157 2.296 5.820 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.445 3.100 5.203 1.00 0.00 C ATOM 0 H VAL A 85 7.063 5.643 4.745 1.00 0.00 H new ATOM 0 HA VAL A 85 5.300 3.767 3.535 1.00 0.00 H new ATOM 0 HB VAL A 85 6.053 4.114 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.605 1.701 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.161 2.618 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.083 1.694 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.851 2.488 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.441 2.526 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.063 3.989 5.076 1.00 0.00 H new ATOM 916 N VAL A 86 2.984 4.365 4.352 1.00 0.00 N ATOM 917 CA VAL A 86 1.667 4.891 4.661 1.00 0.00 C ATOM 918 C VAL A 86 0.737 3.772 5.127 1.00 0.00 C ATOM 919 O VAL A 86 0.559 2.757 4.447 1.00 0.00 O ATOM 920 CB VAL A 86 1.027 5.638 3.464 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.867 6.841 3.071 1.00 0.00 C ATOM 922 CG2 VAL A 86 0.842 4.718 2.273 1.00 0.00 C ATOM 0 H VAL A 86 2.989 3.561 3.724 1.00 0.00 H new ATOM 0 HA VAL A 86 1.802 5.615 5.465 1.00 0.00 H new ATOM 0 HB VAL A 86 0.043 5.984 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.400 7.351 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.939 7.526 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.866 6.510 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.391 5.273 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.811 4.329 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.191 3.889 2.551 1.00 0.00 H new ATOM 932 N SER A 87 0.202 3.945 6.319 1.00 0.00 N ATOM 933 CA SER A 87 -0.763 3.002 6.856 1.00 0.00 C ATOM 934 C SER A 87 -2.177 3.560 6.774 1.00 0.00 C ATOM 935 O SER A 87 -2.453 4.662 7.251 1.00 0.00 O ATOM 936 CB SER A 87 -0.411 2.661 8.307 1.00 0.00 C ATOM 937 OG SER A 87 0.940 2.248 8.415 1.00 0.00 O ATOM 0 H SER A 87 0.418 4.729 6.935 1.00 0.00 H new ATOM 0 HA SER A 87 -0.723 2.093 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.581 3.531 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.068 1.870 8.669 1.00 0.00 H new ATOM 0 HG SER A 87 1.144 2.037 9.350 1.00 0.00 H new ATOM 943 N LEU A 88 -3.057 2.796 6.141 1.00 0.00 N ATOM 944 CA LEU A 88 -4.456 3.173 6.005 1.00 0.00 C ATOM 945 C LEU A 88 -5.320 2.173 6.752 1.00 0.00 C ATOM 946 O LEU A 88 -5.343 0.995 6.406 1.00 0.00 O ATOM 947 CB LEU A 88 -4.889 3.208 4.535 1.00 0.00 C ATOM 948 CG LEU A 88 -4.121 4.175 3.626 1.00 0.00 C ATOM 949 CD1 LEU A 88 -2.813 3.560 3.140 1.00 0.00 C ATOM 950 CD2 LEU A 88 -4.988 4.590 2.446 1.00 0.00 C ATOM 0 H LEU A 88 -2.822 1.902 5.710 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.579 4.173 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.792 2.203 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.947 3.468 4.496 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.873 5.062 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.293 4.271 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.184 3.318 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.025 2.651 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.431 5.277 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.267 3.707 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.888 5.084 2.812 1.00 0.00 H new ATOM 962 N THR A 89 -6.023 2.629 7.768 1.00 0.00 N ATOM 963 CA THR A 89 -6.811 1.735 8.593 1.00 0.00 C ATOM 964 C THR A 89 -8.307 1.894 8.315 1.00 0.00 C ATOM 965 O THR A 89 -8.787 2.998 8.044 1.00 0.00 O ATOM 966 CB THR A 89 -6.517 1.971 10.091 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.097 1.965 10.303 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.153 0.896 10.962 1.00 0.00 C ATOM 0 H THR A 89 -6.065 3.610 8.042 1.00 0.00 H new ATOM 0 HA THR A 89 -6.526 0.714 8.337 1.00 0.00 H new ATOM 0 HB THR A 89 -6.943 2.935 10.370 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.770 1.041 10.304 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.925 1.094 12.009 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.233 0.903 10.818 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.756 -0.080 10.683 1.00 0.00 H new ATOM 976 N GLY A 90 -9.017 0.768 8.377 1.00 0.00 N ATOM 977 CA GLY A 90 -10.461 0.742 8.179 1.00 0.00 C ATOM 978 C GLY A 90 -10.924 1.459 6.930 1.00 0.00 C ATOM 979 O GLY A 90 -11.889 2.224 6.969 1.00 0.00 O ATOM 0 H GLY A 90 -8.607 -0.147 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.793 -0.295 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.944 1.194 9.045 1.00 0.00 H new ATOM 983 N GLN A 91 -10.258 1.208 5.823 1.00 0.00 N ATOM 984 CA GLN A 91 -10.603 1.859 4.571 1.00 0.00 C ATOM 985 C GLN A 91 -11.744 1.105 3.894 1.00 0.00 C ATOM 986 O GLN A 91 -11.644 -0.098 3.672 1.00 0.00 O ATOM 987 CB GLN A 91 -9.363 1.904 3.674 1.00 0.00 C ATOM 988 CG GLN A 91 -9.537 2.668 2.374 1.00 0.00 C ATOM 989 CD GLN A 91 -10.025 4.085 2.591 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.237 4.996 2.829 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.324 4.283 2.480 1.00 0.00 N ATOM 0 H GLN A 91 -9.474 0.558 5.761 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.938 2.879 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.544 2.354 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.066 0.882 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.586 2.693 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.245 2.138 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.944 3.498 2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.708 5.221 2.593 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.823 1.816 3.560 1.00 0.00 N ATOM 1001 CA GLU A 92 -13.988 1.199 2.928 1.00 0.00 C ATOM 1002 C GLU A 92 -14.547 0.070 3.804 1.00 0.00 C ATOM 1003 O GLU A 92 -14.549 0.178 5.030 1.00 0.00 O ATOM 1004 CB GLU A 92 -13.623 0.695 1.528 1.00 0.00 C ATOM 1005 CG GLU A 92 -13.609 1.793 0.483 1.00 0.00 C ATOM 1006 CD GLU A 92 -14.971 2.442 0.328 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -15.210 3.491 0.962 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -15.819 1.890 -0.403 1.00 0.00 O ATOM 0 H GLU A 92 -12.913 2.820 3.717 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.771 1.950 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.641 0.223 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.335 -0.074 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.876 2.550 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.293 1.379 -0.475 1.00 0.00 H new ATOM 1015 N SER A 93 -15.025 -1.000 3.177 1.00 0.00 N ATOM 1016 CA SER A 93 -15.548 -2.158 3.896 1.00 0.00 C ATOM 1017 C SER A 93 -14.460 -2.832 4.736 1.00 0.00 C ATOM 1018 O SER A 93 -14.753 -3.650 5.608 1.00 0.00 O ATOM 1019 CB SER A 93 -16.131 -3.161 2.900 1.00 0.00 C ATOM 1020 OG SER A 93 -16.836 -4.198 3.563 1.00 0.00 O ATOM 0 H SER A 93 -15.061 -1.090 2.162 1.00 0.00 H new ATOM 0 HA SER A 93 -16.330 -1.813 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.801 -2.645 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.328 -3.590 2.301 1.00 0.00 H new ATOM 0 HG SER A 93 -16.362 -4.442 4.385 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.210 -2.463 4.489 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.065 -3.105 5.118 1.00 0.00 C ATOM 1028 C LEU A 94 -11.852 -2.574 6.536 1.00 0.00 C ATOM 1029 O LEU A 94 -10.725 -2.331 6.958 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.808 -2.887 4.269 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.930 -3.287 2.792 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.648 -2.957 2.046 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.267 -4.764 2.650 1.00 0.00 C ATOM 0 H LEU A 94 -12.962 -1.710 3.847 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.264 -4.175 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.534 -1.833 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.988 -3.451 4.714 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.746 -2.714 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.751 -3.247 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.456 -1.886 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.816 -3.501 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.347 -5.019 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.480 -5.363 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.215 -4.970 3.146 1.00 0.00 H new ATOM 1045 N ASN A 95 -12.950 -2.337 7.242 1.00 0.00 N ATOM 1046 CA ASN A 95 -12.909 -1.926 8.642 1.00 0.00 C ATOM 1047 C ASN A 95 -12.054 -2.893 9.461 1.00 0.00 C ATOM 1048 O ASN A 95 -12.205 -4.111 9.351 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.324 -1.871 9.218 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.355 -1.325 10.635 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -13.561 -0.457 10.999 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -15.264 -1.837 11.448 1.00 0.00 N ATOM 0 H ASN A 95 -13.893 -2.424 6.863 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.463 -0.933 8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.949 -1.248 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.756 -2.872 9.208 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.324 -1.514 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -15.905 -2.555 11.109 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.163 -2.343 10.275 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.248 -3.158 11.056 1.00 0.00 C ATOM 1061 C GLY A 96 -8.969 -3.477 10.305 1.00 0.00 C ATOM 1062 O GLY A 96 -7.938 -3.777 10.909 1.00 0.00 O ATOM 0 H GLY A 96 -11.056 -1.338 10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.002 -2.637 11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.743 -4.088 11.336 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.034 -3.400 8.985 1.00 0.00 N ATOM 1067 CA LEU A 97 -7.911 -3.744 8.133 1.00 0.00 C ATOM 1068 C LEU A 97 -6.997 -2.540 7.955 1.00 0.00 C ATOM 1069 O LEU A 97 -7.460 -1.428 7.703 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.445 -4.239 6.781 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.418 -4.780 5.776 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.106 -5.692 4.775 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.734 -3.648 5.031 1.00 0.00 C ATOM 0 H LEU A 97 -9.865 -3.098 8.477 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.324 -4.538 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.175 -5.025 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.980 -3.416 6.307 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.665 -5.338 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.372 -6.072 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.568 -6.527 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.872 -5.132 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.012 -4.060 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.480 -3.067 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.219 -3.003 5.743 1.00 0.00 H new ATOM 1085 N SER A 98 -5.704 -2.764 8.103 1.00 0.00 N ATOM 1086 CA SER A 98 -4.719 -1.724 7.875 1.00 0.00 C ATOM 1087 C SER A 98 -3.878 -2.049 6.646 1.00 0.00 C ATOM 1088 O SER A 98 -3.211 -3.083 6.594 1.00 0.00 O ATOM 1089 CB SER A 98 -3.822 -1.563 9.103 1.00 0.00 C ATOM 1090 OG SER A 98 -4.592 -1.287 10.264 1.00 0.00 O ATOM 0 H SER A 98 -5.310 -3.663 8.382 1.00 0.00 H new ATOM 0 HA SER A 98 -5.242 -0.784 7.700 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.241 -2.473 9.255 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.110 -0.755 8.934 1.00 0.00 H new ATOM 0 HG SER A 98 -3.996 -1.190 11.036 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.937 -1.180 5.651 1.00 0.00 N ATOM 1097 CA VAL A 99 -3.116 -1.323 4.460 1.00 0.00 C ATOM 1098 C VAL A 99 -1.808 -0.590 4.679 1.00 0.00 C ATOM 1099 O VAL A 99 -1.816 0.589 5.032 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.801 -0.739 3.205 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.958 -0.986 1.964 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -5.197 -1.312 3.026 1.00 0.00 C ATOM 0 H VAL A 99 -4.548 -0.364 5.645 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.955 -2.388 4.292 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.894 0.338 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.461 -0.566 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.984 -0.511 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.824 -2.058 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.655 -0.883 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.135 -2.395 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.804 -1.070 3.898 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.690 -1.265 4.484 1.00 0.00 N ATOM 1113 CA VAL A 100 0.600 -0.645 4.718 1.00 0.00 C ATOM 1114 C VAL A 100 1.427 -0.653 3.441 1.00 0.00 C ATOM 1115 O VAL A 100 1.783 -1.711 2.922 1.00 0.00 O ATOM 1116 CB VAL A 100 1.384 -1.363 5.841 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.704 -0.654 6.118 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.549 -1.452 7.112 1.00 0.00 C ATOM 0 H VAL A 100 -0.649 -2.234 4.167 1.00 0.00 H new ATOM 0 HA VAL A 100 0.416 0.382 5.032 1.00 0.00 H new ATOM 0 HB VAL A 100 1.604 -2.376 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.238 -1.177 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.312 -0.650 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.508 0.372 6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.121 -1.961 7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.292 -0.448 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.364 -2.011 6.909 1.00 0.00 H new ATOM 1128 N MET A 101 1.690 0.530 2.913 1.00 0.00 N ATOM 1129 CA MET A 101 2.571 0.659 1.765 1.00 0.00 C ATOM 1130 C MET A 101 3.951 1.084 2.227 1.00 0.00 C ATOM 1131 O MET A 101 4.118 2.180 2.762 1.00 0.00 O ATOM 1132 CB MET A 101 2.044 1.671 0.748 1.00 0.00 C ATOM 1133 CG MET A 101 2.898 1.738 -0.509 1.00 0.00 C ATOM 1134 SD MET A 101 2.485 3.128 -1.579 1.00 0.00 S ATOM 1135 CE MET A 101 3.239 4.484 -0.678 1.00 0.00 C ATOM 0 H MET A 101 1.309 1.411 3.259 1.00 0.00 H new ATOM 0 HA MET A 101 2.618 -0.314 1.276 1.00 0.00 H new ATOM 0 HB2 MET A 101 1.022 1.407 0.475 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.006 2.658 1.210 1.00 0.00 H new ATOM 0 HG2 MET A 101 3.948 1.808 -0.223 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.781 0.810 -1.069 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.815 5.428 -1.019 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.047 4.364 0.388 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.315 4.485 -0.855 1.00 0.00 H new ATOM 1145 N THR A 102 4.926 0.215 2.035 1.00 0.00 N ATOM 1146 CA THR A 102 6.298 0.510 2.403 1.00 0.00 C ATOM 1147 C THR A 102 7.154 0.723 1.155 1.00 0.00 C ATOM 1148 O THR A 102 7.638 -0.237 0.560 1.00 0.00 O ATOM 1149 CB THR A 102 6.903 -0.635 3.245 1.00 0.00 C ATOM 1150 OG1 THR A 102 6.032 -0.950 4.344 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.278 -0.255 3.779 1.00 0.00 C ATOM 0 H THR A 102 4.791 -0.708 1.623 1.00 0.00 H new ATOM 0 HA THR A 102 6.291 1.423 2.998 1.00 0.00 H new ATOM 0 HB THR A 102 7.010 -1.507 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.422 -1.678 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.680 -1.079 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.947 -0.045 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.192 0.632 4.407 1.00 0.00 H new ATOM 1159 N PRO A 103 7.304 1.975 0.700 1.00 0.00 N ATOM 1160 CA PRO A 103 8.224 2.295 -0.388 1.00 0.00 C ATOM 1161 C PRO A 103 9.672 2.075 0.031 1.00 0.00 C ATOM 1162 O PRO A 103 10.105 2.530 1.096 1.00 0.00 O ATOM 1163 CB PRO A 103 7.957 3.777 -0.678 1.00 0.00 C ATOM 1164 CG PRO A 103 7.324 4.305 0.564 1.00 0.00 C ATOM 1165 CD PRO A 103 6.579 3.156 1.183 1.00 0.00 C ATOM 0 HA PRO A 103 8.070 1.661 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.882 4.307 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.299 3.899 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.078 4.693 1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.647 5.128 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.586 3.213 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.535 3.141 0.871 1.00 0.00 H new ATOM 1173 N GLY A 104 10.401 1.353 -0.799 1.00 0.00 N ATOM 1174 CA GLY A 104 11.777 1.036 -0.495 1.00 0.00 C ATOM 1175 C GLY A 104 11.870 -0.315 0.171 1.00 0.00 C ATOM 1176 O GLY A 104 10.838 -0.937 0.435 1.00 0.00 O ATOM 0 H GLY A 104 10.062 0.978 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.368 1.039 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.197 1.801 0.158 1.00 0.00 H new ATOM 1291 N GLY A 113 10.002 -0.093 -5.617 1.00 0.00 N ATOM 1292 CA GLY A 113 8.883 0.813 -5.706 1.00 0.00 C ATOM 1293 C GLY A 113 8.106 0.888 -4.410 1.00 0.00 C ATOM 1294 O GLY A 113 8.534 1.549 -3.460 1.00 0.00 O ATOM 0 HA2 GLY A 113 9.243 1.807 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.219 0.490 -6.508 1.00 0.00 H new ATOM 1298 N TRP A 114 6.975 0.205 -4.364 1.00 0.00 N ATOM 1299 CA TRP A 114 6.104 0.242 -3.204 1.00 0.00 C ATOM 1300 C TRP A 114 5.751 -1.171 -2.763 1.00 0.00 C ATOM 1301 O TRP A 114 5.251 -1.968 -3.556 1.00 0.00 O ATOM 1302 CB TRP A 114 4.819 1.009 -3.527 1.00 0.00 C ATOM 1303 CG TRP A 114 5.052 2.374 -4.099 1.00 0.00 C ATOM 1304 CD1 TRP A 114 5.357 3.513 -3.412 1.00 0.00 C ATOM 1305 CD2 TRP A 114 4.992 2.743 -5.481 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.496 4.566 -4.283 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.276 4.119 -5.558 1.00 0.00 C ATOM 1308 CE3 TRP A 114 4.729 2.041 -6.662 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.302 4.806 -6.769 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 4.757 2.726 -7.862 1.00 0.00 C ATOM 1311 CH2 TRP A 114 5.042 4.095 -7.907 1.00 0.00 C ATOM 0 H TRP A 114 6.637 -0.386 -5.124 1.00 0.00 H new ATOM 0 HA TRP A 114 6.632 0.750 -2.397 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.228 0.426 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.226 1.104 -2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.472 3.577 -2.340 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.726 5.525 -4.022 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.508 0.984 -6.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.520 5.863 -6.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.555 2.195 -8.781 1.00 0.00 H new ATOM 0 HH2 TRP A 114 5.057 4.601 -8.861 1.00 0.00 H new ATOM 1322 N ALA A 115 6.024 -1.489 -1.510 1.00 0.00 N ATOM 1323 CA ALA A 115 5.645 -2.774 -0.959 1.00 0.00 C ATOM 1324 C ALA A 115 4.253 -2.683 -0.351 1.00 0.00 C ATOM 1325 O ALA A 115 3.937 -1.719 0.343 1.00 0.00 O ATOM 1326 CB ALA A 115 6.658 -3.222 0.077 1.00 0.00 C ATOM 0 H ALA A 115 6.507 -0.873 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 115 5.628 -3.515 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.360 -4.189 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.640 -3.310 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.703 -2.489 0.883 1.00 0.00 H new ATOM 1332 N ARG A 116 3.423 -3.675 -0.618 1.00 0.00 N ATOM 1333 CA ARG A 116 2.036 -3.641 -0.173 1.00 0.00 C ATOM 1334 C ARG A 116 1.744 -4.719 0.858 1.00 0.00 C ATOM 1335 O ARG A 116 2.259 -5.834 0.773 1.00 0.00 O ATOM 1336 CB ARG A 116 1.096 -3.804 -1.366 1.00 0.00 C ATOM 1337 CG ARG A 116 1.029 -2.587 -2.268 1.00 0.00 C ATOM 1338 CD ARG A 116 0.481 -1.379 -1.528 1.00 0.00 C ATOM 1339 NE ARG A 116 0.326 -0.222 -2.403 1.00 0.00 N ATOM 1340 CZ ARG A 116 -0.402 0.851 -2.096 1.00 0.00 C ATOM 1341 NH1 ARG A 116 -1.055 0.904 -0.940 1.00 0.00 N ATOM 1342 NH2 ARG A 116 -0.481 1.866 -2.942 1.00 0.00 N ATOM 0 H ARG A 116 3.681 -4.513 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 116 1.869 -2.672 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.418 -4.663 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.094 -4.027 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 116 2.024 -2.361 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.398 -2.805 -3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.484 -1.631 -1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 116 1.150 -1.124 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 116 0.804 -0.235 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.999 0.123 -0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.612 1.726 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.016 1.828 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -1.039 2.686 -2.704 1.00 0.00 H new ATOM 1356 N ASN A 117 0.937 -4.362 1.849 1.00 0.00 N ATOM 1357 CA ASN A 117 0.480 -5.309 2.853 1.00 0.00 C ATOM 1358 C ASN A 117 -0.941 -4.975 3.293 1.00 0.00 C ATOM 1359 O ASN A 117 -1.278 -3.805 3.474 1.00 0.00 O ATOM 1360 CB ASN A 117 1.411 -5.297 4.068 1.00 0.00 C ATOM 1361 CG ASN A 117 0.955 -6.252 5.156 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.225 -5.868 6.070 1.00 0.00 O ATOM 1363 ND2 ASN A 117 1.371 -7.507 5.063 1.00 0.00 N ATOM 0 H ASN A 117 0.584 -3.414 1.978 1.00 0.00 H new ATOM 0 HA ASN A 117 0.491 -6.304 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.419 -5.565 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.462 -4.286 4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.087 -8.192 5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.975 -7.788 4.291 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.770 -5.995 3.443 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.103 -5.821 4.001 1.00 0.00 C ATOM 1372 C CYS A 118 -3.197 -6.561 5.326 1.00 0.00 C ATOM 1373 O CYS A 118 -3.115 -7.790 5.359 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.164 -6.354 3.034 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.196 -5.514 1.419 1.00 0.00 S ATOM 0 H CYS A 118 -1.543 -6.956 3.185 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.283 -4.758 4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.991 -7.418 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.145 -6.258 3.500 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.379 -5.828 6.417 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.410 -6.442 7.737 1.00 0.00 C ATOM 1382 C ASN A 119 -4.811 -6.419 8.331 1.00 0.00 C ATOM 1383 O ASN A 119 -5.290 -5.386 8.793 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.427 -5.723 8.671 1.00 0.00 C ATOM 1385 CG ASN A 119 -2.528 -6.191 10.113 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -2.888 -7.337 10.392 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -2.208 -5.308 11.042 1.00 0.00 N ATOM 0 H ASN A 119 -3.506 -4.816 6.414 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.112 -7.485 7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -1.410 -5.884 8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.613 -4.650 8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.254 -5.565 12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.914 -4.369 10.773 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.465 -7.569 8.295 1.00 0.00 N ATOM 1395 CA ILE A 120 -6.755 -7.754 8.935 1.00 0.00 C ATOM 1396 C ILE A 120 -6.781 -9.122 9.635 1.00 0.00 C ATOM 1397 O ILE A 120 -7.043 -10.152 9.013 1.00 0.00 O ATOM 1398 CB ILE A 120 -7.902 -7.609 7.908 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.269 -7.874 8.542 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.677 -8.518 6.713 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.716 -6.811 9.521 1.00 0.00 C ATOM 0 H ILE A 120 -5.115 -8.401 7.820 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.905 -6.979 9.687 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.898 -6.576 7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.014 -7.959 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.239 -8.835 9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.497 -8.398 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.737 -8.255 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.635 -9.555 7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.694 -7.076 9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -8.995 -6.740 10.335 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -9.782 -5.850 9.010 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.499 -9.134 10.928 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.213 -10.386 11.628 1.00 0.00 C ATOM 1415 C GLN A 121 -7.468 -11.224 11.895 1.00 0.00 C ATOM 1416 O GLN A 121 -7.386 -12.445 12.007 1.00 0.00 O ATOM 1417 CB GLN A 121 -5.458 -10.110 12.931 1.00 0.00 C ATOM 1418 CG GLN A 121 -6.190 -9.195 13.896 1.00 0.00 C ATOM 1419 CD GLN A 121 -5.326 -8.805 15.075 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -5.306 -9.487 16.099 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -4.604 -7.707 14.936 1.00 0.00 N ATOM 0 H GLN A 121 -6.461 -8.300 11.514 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.582 -10.979 10.966 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -5.258 -11.059 13.429 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.492 -9.667 12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.512 -8.296 13.370 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.090 -9.693 14.256 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.651 -7.172 14.069 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.999 -7.395 15.696 1.00 0.00 H new ATOM 1430 N SER A 122 -8.621 -10.579 11.998 1.00 0.00 N ATOM 1431 CA SER A 122 -9.851 -11.285 12.361 1.00 0.00 C ATOM 1432 C SER A 122 -10.740 -11.601 11.155 1.00 0.00 C ATOM 1433 O SER A 122 -11.701 -12.362 11.271 1.00 0.00 O ATOM 1434 CB SER A 122 -10.639 -10.450 13.374 1.00 0.00 C ATOM 1435 OG SER A 122 -10.889 -9.150 12.865 1.00 0.00 O ATOM 0 H SER A 122 -8.735 -9.578 11.838 1.00 0.00 H new ATOM 0 HA SER A 122 -9.555 -12.240 12.796 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.583 -10.944 13.604 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.081 -10.379 14.307 1.00 0.00 H new ATOM 0 HG SER A 122 -11.546 -9.203 12.140 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.424 -11.035 9.998 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.327 -11.118 8.851 1.00 0.00 C ATOM 1443 C ASP A 123 -10.567 -11.388 7.555 1.00 0.00 C ATOM 1444 O ASP A 123 -10.230 -10.460 6.818 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.137 -9.821 8.706 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.112 -9.588 9.844 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -12.695 -9.058 10.900 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -14.306 -9.913 9.682 1.00 0.00 O ATOM 0 H ASP A 123 -9.561 -10.519 9.826 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.004 -11.952 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.450 -8.977 8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.688 -9.849 7.766 1.00 0.00 H new ATOM 1453 N SER A 124 -10.306 -12.660 7.275 1.00 0.00 N ATOM 1454 CA SER A 124 -9.599 -13.051 6.055 1.00 0.00 C ATOM 1455 C SER A 124 -10.362 -12.633 4.795 1.00 0.00 C ATOM 1456 O SER A 124 -9.758 -12.413 3.747 1.00 0.00 O ATOM 1457 CB SER A 124 -9.359 -14.560 6.044 1.00 0.00 C ATOM 1458 OG SER A 124 -8.702 -14.977 7.228 1.00 0.00 O ATOM 0 H SER A 124 -10.572 -13.441 7.875 1.00 0.00 H new ATOM 0 HA SER A 124 -8.641 -12.531 6.051 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.311 -15.083 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.758 -14.830 5.176 1.00 0.00 H new ATOM 0 HG SER A 124 -8.560 -15.946 7.200 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.685 -12.514 4.899 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.512 -12.134 3.759 1.00 0.00 C ATOM 1466 C ALA A 125 -12.166 -10.731 3.276 1.00 0.00 C ATOM 1467 O ALA A 125 -12.129 -10.465 2.074 1.00 0.00 O ATOM 1468 CB ALA A 125 -13.985 -12.223 4.115 1.00 0.00 C ATOM 0 H ALA A 125 -12.205 -12.676 5.761 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.307 -12.832 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.586 -11.936 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -14.229 -13.246 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.200 -11.551 4.946 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.906 -9.834 4.219 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.509 -8.475 3.886 1.00 0.00 C ATOM 1476 C LEU A 126 -10.125 -8.482 3.263 1.00 0.00 C ATOM 1477 O LEU A 126 -9.841 -7.725 2.331 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.520 -7.588 5.132 1.00 0.00 C ATOM 1479 CG LEU A 126 -12.883 -7.423 5.808 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.771 -6.518 7.024 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.906 -6.871 4.828 1.00 0.00 C ATOM 0 H LEU A 126 -11.963 -10.025 5.219 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.223 -8.069 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.821 -8.002 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.147 -6.601 4.858 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.220 -8.406 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.750 -6.413 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.073 -6.954 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.409 -5.537 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.868 -6.762 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.574 -5.899 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.011 -7.556 3.987 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.274 -9.359 3.775 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.937 -9.529 3.239 1.00 0.00 C ATOM 1495 C GLN A 127 -8.008 -9.998 1.797 1.00 0.00 C ATOM 1496 O GLN A 127 -7.281 -9.504 0.951 1.00 0.00 O ATOM 1497 CB GLN A 127 -7.147 -10.538 4.068 1.00 0.00 C ATOM 1498 CG GLN A 127 -5.769 -10.840 3.507 1.00 0.00 C ATOM 1499 CD GLN A 127 -5.014 -11.849 4.345 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -5.115 -13.055 4.122 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -4.256 -11.366 5.316 1.00 0.00 N ATOM 0 H GLN A 127 -9.490 -9.966 4.566 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.428 -8.566 3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.041 -10.157 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -7.715 -11.466 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.869 -11.218 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.193 -9.916 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -4.201 -10.359 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.727 -12.001 5.914 1.00 0.00 H new ATOM 1510 N GLN A 128 -8.908 -10.938 1.536 1.00 0.00 N ATOM 1511 CA GLN A 128 -9.070 -11.523 0.209 1.00 0.00 C ATOM 1512 C GLN A 128 -9.298 -10.444 -0.846 1.00 0.00 C ATOM 1513 O GLN A 128 -8.751 -10.508 -1.949 1.00 0.00 O ATOM 1514 CB GLN A 128 -10.251 -12.494 0.213 1.00 0.00 C ATOM 1515 CG GLN A 128 -10.360 -13.324 -1.053 1.00 0.00 C ATOM 1516 CD GLN A 128 -11.675 -14.071 -1.152 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -12.647 -13.569 -1.721 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -11.719 -15.268 -0.595 1.00 0.00 N ATOM 0 H GLN A 128 -9.546 -11.316 2.236 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.153 -12.057 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -10.158 -13.163 1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -11.174 -11.930 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -10.251 -12.673 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -9.538 -14.039 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -10.892 -15.647 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -12.580 -15.814 -0.626 1.00 0.00 H new ATOM 1527 N ALA A 129 -10.113 -9.456 -0.503 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.398 -8.360 -1.411 1.00 0.00 C ATOM 1529 C ALA A 129 -9.217 -7.403 -1.493 1.00 0.00 C ATOM 1530 O ALA A 129 -8.813 -6.991 -2.579 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.657 -7.626 -0.975 1.00 0.00 C ATOM 0 H ALA A 129 -10.587 -9.393 0.398 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.565 -8.773 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.858 -6.807 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.500 -8.317 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.516 -7.228 0.030 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.662 -7.062 -0.337 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.553 -6.117 -0.266 1.00 0.00 C ATOM 1539 C CYS A 130 -6.318 -6.677 -0.963 1.00 0.00 C ATOM 1540 O CYS A 130 -5.686 -5.989 -1.763 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.229 -5.793 1.195 1.00 0.00 C ATOM 1542 SG CYS A 130 -5.959 -4.503 1.420 1.00 0.00 S ATOM 0 H CYS A 130 -8.962 -7.427 0.567 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.851 -5.201 -0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.144 -5.475 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -6.895 -6.704 1.691 1.00 0.00 H new ATOM 1547 N GLU A 131 -6.004 -7.939 -0.680 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.830 -8.597 -1.239 1.00 0.00 C ATOM 1549 C GLU A 131 -4.900 -8.650 -2.759 1.00 0.00 C ATOM 1550 O GLU A 131 -3.895 -8.856 -3.416 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.644 -10.013 -0.677 1.00 0.00 C ATOM 1552 CG GLU A 131 -5.674 -11.016 -1.168 1.00 0.00 C ATOM 1553 CD GLU A 131 -5.263 -12.450 -0.913 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -5.555 -12.979 0.183 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -4.645 -13.058 -1.813 1.00 0.00 O ATOM 0 H GLU A 131 -6.555 -8.531 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.967 -7.999 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.649 -10.370 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.686 -9.969 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -6.627 -10.823 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.833 -10.873 -2.237 1.00 0.00 H new ATOM 1562 N ASP A 132 -6.096 -8.554 -3.310 1.00 0.00 N ATOM 1563 CA ASP A 132 -6.253 -8.578 -4.756 1.00 0.00 C ATOM 1564 C ASP A 132 -5.657 -7.323 -5.397 1.00 0.00 C ATOM 1565 O ASP A 132 -4.817 -7.412 -6.294 1.00 0.00 O ATOM 1566 CB ASP A 132 -7.732 -8.695 -5.123 1.00 0.00 C ATOM 1567 CG ASP A 132 -7.956 -8.738 -6.619 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -8.030 -9.852 -7.176 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -8.086 -7.666 -7.240 1.00 0.00 O ATOM 0 H ASP A 132 -6.966 -8.460 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 132 -5.716 -9.446 -5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.145 -9.597 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.276 -7.849 -4.702 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.077 -6.157 -4.920 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.604 -4.889 -5.472 1.00 0.00 C ATOM 1576 C VAL A 133 -4.270 -4.477 -4.844 1.00 0.00 C ATOM 1577 O VAL A 133 -3.310 -4.144 -5.540 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.649 -3.770 -5.263 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.140 -2.441 -5.797 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -7.964 -4.142 -5.931 1.00 0.00 C ATOM 0 H VAL A 133 -6.743 -6.061 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.455 -5.035 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.819 -3.661 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.895 -1.671 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.224 -2.165 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.935 -2.532 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.690 -3.344 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.802 -4.282 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.343 -5.067 -5.497 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.227 -4.544 -3.525 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.074 -4.136 -2.726 1.00 0.00 C ATOM 1592 C PHE A 134 -2.112 -5.302 -2.530 1.00 0.00 C ATOM 1593 O PHE A 134 -1.415 -5.382 -1.521 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.514 -3.550 -1.382 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.315 -2.282 -1.526 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.700 -2.302 -1.459 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -3.678 -1.067 -1.737 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -6.433 -1.138 -1.601 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -4.407 0.101 -1.877 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.785 0.064 -1.810 1.00 0.00 C ATOM 0 H PHE A 134 -5.005 -4.890 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.546 -3.353 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.109 -4.290 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.632 -3.349 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.213 -3.238 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -2.600 -1.033 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -7.511 -1.169 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -3.898 1.040 -2.038 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.356 0.974 -1.921 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.148 -6.230 -3.481 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.425 -7.497 -3.400 1.00 0.00 C ATOM 1612 C ARG A 135 0.025 -7.332 -2.957 1.00 0.00 C ATOM 1613 O ARG A 135 0.751 -6.447 -3.414 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.444 -8.183 -4.773 1.00 0.00 C ATOM 1615 CG ARG A 135 -0.924 -7.301 -5.898 1.00 0.00 C ATOM 1616 CD ARG A 135 -0.828 -8.052 -7.216 1.00 0.00 C ATOM 1617 NE ARG A 135 0.150 -9.138 -7.160 1.00 0.00 N ATOM 1618 CZ ARG A 135 0.893 -9.528 -8.197 1.00 0.00 C ATOM 1619 NH1 ARG A 135 0.771 -8.926 -9.373 1.00 0.00 N ATOM 1620 NH2 ARG A 135 1.762 -10.518 -8.052 1.00 0.00 N ATOM 0 H ARG A 135 -2.686 -6.123 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.932 -8.101 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.842 -9.091 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.464 -8.489 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -1.583 -6.441 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 135 0.059 -6.914 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.806 -8.458 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -0.553 -7.357 -8.009 1.00 0.00 H new ATOM 0 HE ARG A 135 0.271 -9.627 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 135 0.106 -8.161 -9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 135 1.342 -9.228 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 135 1.862 -10.981 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 135 2.331 -10.817 -8.844 1.00 0.00 H new