USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -157:sc= 0.842 USER MOD Set 1.2: A 136 GLN : amide:sc= 0.466 K(o=1.3,f=-2.4!) USER MOD Set 2.1: A 112 THR OG1 : rot 75:sc= 0.31 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.376 USER MOD Set 3.1: A 88 SER OG : rot 180:sc= 0.00156 USER MOD Set 3.2: A 91 GLN : amide:sc= 0.0017 K(o=0.0033,f=0.84) USER MOD Set 4.1: A 84 ASN : amide:sc= -0.885 K(o=-3.3,f=-1.1) USER MOD Set 4.2: A 90 GLN : amide:sc= -2.38! C(o=-3.3!,f=-2.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.09) USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.14) USER MOD Single : A 98 CYS SG : rot -12:sc= 1.04 USER MOD Single : A 99 SER OG : rot 135:sc= -0.778 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 107 CYS SG : rot 117:sc= 1.11 USER MOD Single : A 109 TYR OH : rot 40:sc= 0.424 USER MOD Single : A 115 SER OG : rot -19:sc= 0.811 USER MOD Single : A 119 LYS NZ :NH3+ 129:sc= -0.0825 (180deg=-0.5) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 123 CYS SG : rot 117:sc= -4.25! USER MOD Single : A 130 TYR OH : rot -123:sc= 0.126 USER MOD Single : A 132 ASN : amide:sc= -2.53! X(o=-2.5!,f=-2.1) USER MOD Single : A 137 ASN : amide:sc= -0.0062 X(o=-0.0062,f=-0.0079) USER MOD Single : A 139 SER OG : rot 180:sc= 0.144 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -15.058 -3.262 -9.971 1.00 0.00 N ATOM 2 CA ASN A 84 -15.012 -3.387 -8.511 1.00 0.00 C ATOM 3 C ASN A 84 -15.552 -4.715 -8.053 1.00 0.00 C ATOM 4 O ASN A 84 -15.277 -5.153 -6.931 1.00 0.00 O ATOM 5 CB ASN A 84 -15.808 -2.265 -7.836 1.00 0.00 C ATOM 6 CG ASN A 84 -15.189 -0.905 -8.021 1.00 0.00 C ATOM 7 OD1 ASN A 84 -14.513 -0.645 -9.010 1.00 0.00 O ATOM 8 ND2 ASN A 84 -15.409 -0.026 -7.080 1.00 0.00 N ATOM 0 HA ASN A 84 -13.964 -3.312 -8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.821 -2.254 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.891 -2.477 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.013 0.911 -7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.977 -0.277 -6.270 1.00 0.00 H new ATOM 17 N THR A 85 -16.310 -5.374 -8.892 1.00 0.00 N ATOM 18 CA THR A 85 -16.929 -6.593 -8.503 1.00 0.00 C ATOM 19 C THR A 85 -16.223 -7.781 -9.150 1.00 0.00 C ATOM 20 O THR A 85 -16.565 -8.208 -10.262 1.00 0.00 O ATOM 21 CB THR A 85 -18.422 -6.572 -8.866 1.00 0.00 C ATOM 22 OG1 THR A 85 -18.972 -5.295 -8.461 1.00 0.00 O ATOM 23 CG2 THR A 85 -19.164 -7.683 -8.134 1.00 0.00 C ATOM 0 H THR A 85 -16.507 -5.078 -9.848 1.00 0.00 H new ATOM 0 HA THR A 85 -16.844 -6.700 -7.422 1.00 0.00 H new ATOM 0 HB THR A 85 -18.535 -6.722 -9.940 1.00 0.00 H new ATOM 0 HG1 THR A 85 -19.925 -5.263 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 85 -20.220 -7.654 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.744 -8.648 -8.417 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.059 -7.543 -7.058 1.00 0.00 H new ATOM 31 N ALA A 86 -15.201 -8.252 -8.478 1.00 0.00 N ATOM 32 CA ALA A 86 -14.416 -9.391 -8.917 1.00 0.00 C ATOM 33 C ALA A 86 -13.669 -9.949 -7.733 1.00 0.00 C ATOM 34 O ALA A 86 -13.804 -11.118 -7.389 1.00 0.00 O ATOM 35 CB ALA A 86 -13.450 -9.007 -10.042 1.00 0.00 C ATOM 0 H ALA A 86 -14.882 -7.852 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.085 -10.151 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -12.878 -9.884 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.015 -8.629 -10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.768 -8.234 -9.688 1.00 0.00 H new ATOM 41 N ALA A 87 -12.912 -9.099 -7.102 1.00 0.00 N ATOM 42 CA ALA A 87 -12.175 -9.440 -5.913 1.00 0.00 C ATOM 43 C ALA A 87 -12.328 -8.311 -4.919 1.00 0.00 C ATOM 44 O ALA A 87 -12.775 -7.226 -5.281 1.00 0.00 O ATOM 45 CB ALA A 87 -10.705 -9.683 -6.237 1.00 0.00 C ATOM 0 H ALA A 87 -12.785 -8.132 -7.402 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.568 -10.363 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.169 -9.939 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.620 -10.503 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.274 -8.780 -6.670 1.00 0.00 H new ATOM 51 N SER A 88 -11.960 -8.541 -3.697 1.00 0.00 N ATOM 52 CA SER A 88 -12.099 -7.554 -2.665 1.00 0.00 C ATOM 53 C SER A 88 -10.707 -7.006 -2.317 1.00 0.00 C ATOM 54 O SER A 88 -10.468 -6.497 -1.221 1.00 0.00 O ATOM 55 CB SER A 88 -12.785 -8.204 -1.443 1.00 0.00 C ATOM 56 OG SER A 88 -13.128 -7.253 -0.440 1.00 0.00 O ATOM 0 H SER A 88 -11.553 -9.422 -3.383 1.00 0.00 H new ATOM 0 HA SER A 88 -12.719 -6.721 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.686 -8.723 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.121 -8.955 -1.015 1.00 0.00 H new ATOM 0 HG SER A 88 -13.560 -7.711 0.311 1.00 0.00 H new ATOM 62 N LEU A 89 -9.818 -7.006 -3.313 1.00 0.00 N ATOM 63 CA LEU A 89 -8.429 -6.601 -3.121 1.00 0.00 C ATOM 64 C LEU A 89 -8.336 -5.070 -3.121 1.00 0.00 C ATOM 65 O LEU A 89 -7.305 -4.483 -2.927 1.00 0.00 O ATOM 66 CB LEU A 89 -7.534 -7.286 -4.195 1.00 0.00 C ATOM 67 CG LEU A 89 -6.025 -7.476 -3.883 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.460 -8.538 -4.792 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.226 -6.198 -4.080 1.00 0.00 C ATOM 0 H LEU A 89 -10.041 -7.285 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.056 -6.932 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.957 -8.269 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.613 -6.705 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.945 -7.766 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.400 -8.675 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.988 -9.477 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.582 -8.231 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.177 -6.385 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.316 -5.869 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.611 -5.423 -3.418 1.00 0.00 H new ATOM 81 N GLN A 90 -9.454 -4.443 -3.291 1.00 0.00 N ATOM 82 CA GLN A 90 -9.519 -2.997 -3.233 1.00 0.00 C ATOM 83 C GLN A 90 -10.153 -2.535 -1.925 1.00 0.00 C ATOM 84 O GLN A 90 -10.366 -1.340 -1.699 1.00 0.00 O ATOM 85 CB GLN A 90 -10.262 -2.420 -4.429 1.00 0.00 C ATOM 86 CG GLN A 90 -11.715 -2.836 -4.558 1.00 0.00 C ATOM 87 CD GLN A 90 -12.385 -2.184 -5.748 1.00 0.00 C ATOM 88 OE1 GLN A 90 -12.398 -2.730 -6.851 1.00 0.00 O ATOM 89 NE2 GLN A 90 -12.907 -1.006 -5.547 1.00 0.00 N ATOM 0 H GLN A 90 -10.347 -4.902 -3.473 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.497 -2.621 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.217 -1.332 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.736 -2.714 -5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.775 -3.920 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.251 -2.568 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.876 -0.586 -4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.346 -0.504 -6.319 1.00 0.00 H new ATOM 98 N GLN A 91 -10.461 -3.478 -1.067 1.00 0.00 N ATOM 99 CA GLN A 91 -11.040 -3.159 0.221 1.00 0.00 C ATOM 100 C GLN A 91 -10.076 -3.505 1.330 1.00 0.00 C ATOM 101 O GLN A 91 -9.764 -4.679 1.558 1.00 0.00 O ATOM 102 CB GLN A 91 -12.393 -3.834 0.408 1.00 0.00 C ATOM 103 CG GLN A 91 -13.416 -3.385 -0.617 1.00 0.00 C ATOM 104 CD GLN A 91 -14.800 -3.933 -0.363 1.00 0.00 C ATOM 105 OE1 GLN A 91 -15.606 -3.319 0.347 1.00 0.00 O ATOM 106 NE2 GLN A 91 -15.097 -5.066 -0.926 1.00 0.00 N ATOM 0 H GLN A 91 -10.321 -4.474 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.221 -2.085 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.268 -4.915 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.768 -3.618 1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.460 -2.296 -0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.087 -3.696 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.407 -5.544 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.020 -5.477 -0.789 1.00 0.00 H new ATOM 115 N TRP A 92 -9.586 -2.479 1.983 1.00 0.00 N ATOM 116 CA TRP A 92 -8.575 -2.586 3.029 1.00 0.00 C ATOM 117 C TRP A 92 -9.014 -1.778 4.232 1.00 0.00 C ATOM 118 O TRP A 92 -9.968 -1.006 4.133 1.00 0.00 O ATOM 119 CB TRP A 92 -7.242 -2.030 2.542 1.00 0.00 C ATOM 120 CG TRP A 92 -6.666 -2.732 1.364 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.980 -2.524 0.060 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.648 -3.739 1.378 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.256 -3.354 -0.731 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.418 -4.104 0.044 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.915 -4.368 2.386 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.485 -5.070 -0.317 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.986 -5.326 2.026 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.780 -5.665 0.686 1.00 0.00 C ATOM 0 H TRP A 92 -9.881 -1.519 1.804 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.458 -3.638 3.291 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.373 -0.977 2.291 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.524 -2.076 3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.701 -1.803 -0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.326 -3.410 -1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.070 -4.112 3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.326 -5.338 -1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.409 -5.821 2.793 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.045 -6.416 0.439 1.00 0.00 H new ATOM 139 N LYS A 93 -8.390 -1.994 5.370 1.00 0.00 N ATOM 140 CA LYS A 93 -8.697 -1.200 6.549 1.00 0.00 C ATOM 141 C LYS A 93 -7.405 -0.608 7.109 1.00 0.00 C ATOM 142 O LYS A 93 -6.318 -1.144 6.867 1.00 0.00 O ATOM 143 CB LYS A 93 -9.422 -2.032 7.617 1.00 0.00 C ATOM 144 CG LYS A 93 -8.539 -2.995 8.383 1.00 0.00 C ATOM 145 CD LYS A 93 -9.395 -3.914 9.263 1.00 0.00 C ATOM 146 CE LYS A 93 -8.561 -4.814 10.170 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.774 -5.820 9.427 1.00 0.00 N ATOM 0 H LYS A 93 -7.672 -2.706 5.508 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.371 -0.393 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.895 -1.353 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.220 -2.598 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.950 -3.592 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.834 -2.440 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.060 -3.305 9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.026 -4.534 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.884 -4.197 10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.221 -5.324 10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.243 -6.411 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.415 -6.420 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.109 -5.338 8.789 1.00 0.00 H new ATOM 161 N VAL A 94 -7.522 0.494 7.818 1.00 0.00 N ATOM 162 CA VAL A 94 -6.383 1.155 8.430 1.00 0.00 C ATOM 163 C VAL A 94 -5.730 0.228 9.451 1.00 0.00 C ATOM 164 O VAL A 94 -6.403 -0.344 10.309 1.00 0.00 O ATOM 165 CB VAL A 94 -6.799 2.492 9.112 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.619 3.148 9.809 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.396 3.451 8.099 1.00 0.00 C ATOM 0 H VAL A 94 -8.413 0.961 7.989 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.667 1.390 7.643 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.553 2.254 9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.943 4.079 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.229 2.476 10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.838 3.360 9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.679 4.378 8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.660 3.666 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.278 2.999 7.646 1.00 0.00 H new ATOM 177 N GLY A 95 -4.439 0.057 9.324 1.00 0.00 N ATOM 178 CA GLY A 95 -3.717 -0.793 10.224 1.00 0.00 C ATOM 179 C GLY A 95 -3.439 -2.141 9.621 1.00 0.00 C ATOM 180 O GLY A 95 -2.932 -3.042 10.293 1.00 0.00 O ATOM 0 H GLY A 95 -3.868 0.498 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.775 -0.316 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.289 -0.918 11.143 1.00 0.00 H new ATOM 184 N ASP A 96 -3.782 -2.305 8.372 1.00 0.00 N ATOM 185 CA ASP A 96 -3.526 -3.555 7.691 1.00 0.00 C ATOM 186 C ASP A 96 -2.218 -3.454 6.989 1.00 0.00 C ATOM 187 O ASP A 96 -1.871 -2.391 6.462 1.00 0.00 O ATOM 188 CB ASP A 96 -4.578 -3.862 6.650 1.00 0.00 C ATOM 189 CG ASP A 96 -5.255 -5.183 6.850 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.660 -6.233 6.554 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.403 -5.207 7.307 1.00 0.00 O ATOM 0 H ASP A 96 -4.239 -1.593 7.802 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.533 -4.347 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.330 -3.073 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.115 -3.846 5.663 1.00 0.00 H new ATOM 196 N LYS A 97 -1.472 -4.500 7.008 1.00 0.00 N ATOM 197 CA LYS A 97 -0.238 -4.529 6.309 1.00 0.00 C ATOM 198 C LYS A 97 -0.460 -5.015 4.907 1.00 0.00 C ATOM 199 O LYS A 97 -1.296 -5.892 4.667 1.00 0.00 O ATOM 200 CB LYS A 97 0.692 -5.419 7.035 1.00 0.00 C ATOM 201 CG LYS A 97 0.862 -4.976 8.478 1.00 0.00 C ATOM 202 CD LYS A 97 1.621 -5.973 9.273 1.00 0.00 C ATOM 203 CE LYS A 97 3.096 -5.982 8.889 1.00 0.00 C ATOM 204 NZ LYS A 97 3.872 -7.013 9.614 1.00 0.00 N ATOM 0 H LYS A 97 -1.700 -5.359 7.508 1.00 0.00 H new ATOM 0 HA LYS A 97 0.191 -3.529 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.317 -6.442 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.661 -5.422 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.381 -4.018 8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.118 -4.821 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.521 -5.747 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.197 -6.965 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.186 -6.154 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.525 -5.001 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.761 -7.199 9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.085 -6.676 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.316 -7.890 9.671 1.00 0.00 H new ATOM 218 N CYS A 98 0.271 -4.471 4.003 1.00 0.00 N ATOM 219 CA CYS A 98 0.112 -4.767 2.624 1.00 0.00 C ATOM 220 C CYS A 98 1.447 -4.567 1.915 1.00 0.00 C ATOM 221 O CYS A 98 2.500 -4.499 2.556 1.00 0.00 O ATOM 222 CB CYS A 98 -0.946 -3.815 2.051 1.00 0.00 C ATOM 223 SG CYS A 98 -0.530 -2.068 2.246 1.00 0.00 S ATOM 0 H CYS A 98 1.009 -3.796 4.203 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.208 -5.799 2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.081 -4.031 0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.900 -4.009 2.540 1.00 0.00 H new ATOM 0 HG CYS A 98 0.474 -1.950 3.063 1.00 0.00 H new ATOM 229 N SER A 99 1.395 -4.497 0.635 1.00 0.00 N ATOM 230 CA SER A 99 2.533 -4.219 -0.178 1.00 0.00 C ATOM 231 C SER A 99 2.181 -3.095 -1.124 1.00 0.00 C ATOM 232 O SER A 99 1.043 -3.017 -1.608 1.00 0.00 O ATOM 233 CB SER A 99 2.944 -5.467 -0.926 1.00 0.00 C ATOM 234 OG SER A 99 3.341 -6.486 -0.023 1.00 0.00 O ATOM 0 H SER A 99 0.536 -4.635 0.103 1.00 0.00 H new ATOM 0 HA SER A 99 3.379 -3.911 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.114 -5.820 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.765 -5.236 -1.605 1.00 0.00 H new ATOM 0 HG SER A 99 2.934 -7.337 -0.290 1.00 0.00 H new ATOM 240 N ALA A 100 3.111 -2.215 -1.350 1.00 0.00 N ATOM 241 CA ALA A 100 2.882 -1.082 -2.190 1.00 0.00 C ATOM 242 C ALA A 100 4.028 -0.909 -3.153 1.00 0.00 C ATOM 243 O ALA A 100 5.115 -1.455 -2.944 1.00 0.00 O ATOM 244 CB ALA A 100 2.694 0.167 -1.349 1.00 0.00 C ATOM 0 H ALA A 100 4.050 -2.265 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 100 1.971 -1.248 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.520 1.022 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.837 0.035 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.589 0.342 -0.752 1.00 0.00 H new ATOM 250 N ILE A 101 3.774 -0.190 -4.208 1.00 0.00 N ATOM 251 CA ILE A 101 4.762 0.087 -5.210 1.00 0.00 C ATOM 252 C ILE A 101 5.428 1.399 -4.902 1.00 0.00 C ATOM 253 O ILE A 101 4.800 2.467 -5.012 1.00 0.00 O ATOM 254 CB ILE A 101 4.127 0.134 -6.623 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.695 -1.261 -7.057 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.072 0.756 -7.653 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.828 -2.174 -7.453 1.00 0.00 C ATOM 0 H ILE A 101 2.862 0.226 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 101 5.501 -0.714 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 101 3.246 0.773 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.140 -1.725 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.009 -1.169 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.588 0.770 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.315 1.776 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.987 0.166 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.428 -3.144 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.372 -1.737 -8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.505 -2.302 -6.608 1.00 0.00 H new ATOM 269 N TRP A 102 6.680 1.324 -4.529 1.00 0.00 N ATOM 270 CA TRP A 102 7.439 2.493 -4.190 1.00 0.00 C ATOM 271 C TRP A 102 7.597 3.297 -5.417 1.00 0.00 C ATOM 272 O TRP A 102 8.194 2.852 -6.367 1.00 0.00 O ATOM 273 CB TRP A 102 8.807 2.134 -3.661 1.00 0.00 C ATOM 274 CG TRP A 102 9.456 3.232 -2.874 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.832 4.227 -2.184 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.852 3.418 -2.659 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.759 5.005 -1.551 1.00 0.00 N ATOM 278 CE2 TRP A 102 11.004 4.530 -1.829 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.982 2.756 -3.085 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.249 4.983 -1.423 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.210 3.207 -2.686 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.335 4.308 -1.861 1.00 0.00 C ATOM 0 H TRP A 102 7.199 0.449 -4.453 1.00 0.00 H new ATOM 0 HA TRP A 102 6.913 3.045 -3.411 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.722 1.249 -3.031 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.452 1.869 -4.498 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.763 4.378 -2.144 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.552 5.813 -0.964 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.899 1.891 -3.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.348 5.845 -0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.098 2.693 -3.022 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.319 4.636 -1.560 1.00 0.00 H new ATOM 293 N SER A 103 7.098 4.469 -5.378 1.00 0.00 N ATOM 294 CA SER A 103 7.077 5.364 -6.491 1.00 0.00 C ATOM 295 C SER A 103 8.461 5.769 -6.954 1.00 0.00 C ATOM 296 O SER A 103 8.656 6.261 -8.062 1.00 0.00 O ATOM 297 CB SER A 103 6.303 6.539 -6.066 1.00 0.00 C ATOM 298 OG SER A 103 4.967 6.151 -5.759 1.00 0.00 O ATOM 0 H SER A 103 6.671 4.859 -4.538 1.00 0.00 H new ATOM 0 HA SER A 103 6.624 4.868 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.768 6.996 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.301 7.290 -6.856 1.00 0.00 H new ATOM 0 HG SER A 103 4.455 6.937 -5.475 1.00 0.00 H new ATOM 304 N GLU A 104 9.389 5.552 -6.105 1.00 0.00 N ATOM 305 CA GLU A 104 10.738 5.913 -6.322 1.00 0.00 C ATOM 306 C GLU A 104 11.471 4.869 -7.141 1.00 0.00 C ATOM 307 O GLU A 104 12.302 5.205 -7.978 1.00 0.00 O ATOM 308 CB GLU A 104 11.345 6.041 -4.984 1.00 0.00 C ATOM 309 CG GLU A 104 10.575 7.007 -4.127 1.00 0.00 C ATOM 310 CD GLU A 104 10.841 8.433 -4.462 1.00 0.00 C ATOM 311 OE1 GLU A 104 11.970 8.904 -4.211 1.00 0.00 O ATOM 312 OE2 GLU A 104 9.928 9.116 -4.973 1.00 0.00 O ATOM 0 H GLU A 104 9.226 5.101 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 104 10.802 6.843 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.374 5.065 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.377 6.379 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.509 6.808 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.826 6.834 -3.081 1.00 0.00 H new ATOM 319 N ASP A 105 11.168 3.604 -6.911 1.00 0.00 N ATOM 320 CA ASP A 105 11.895 2.557 -7.631 1.00 0.00 C ATOM 321 C ASP A 105 10.963 1.760 -8.536 1.00 0.00 C ATOM 322 O ASP A 105 11.400 1.034 -9.420 1.00 0.00 O ATOM 323 CB ASP A 105 12.562 1.623 -6.627 1.00 0.00 C ATOM 324 CG ASP A 105 13.622 0.754 -7.257 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.731 1.260 -7.502 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.387 -0.439 -7.483 1.00 0.00 O ATOM 0 H ASP A 105 10.454 3.278 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 105 12.651 3.030 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.010 2.214 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.804 0.989 -6.167 1.00 0.00 H new ATOM 331 N GLY A 106 9.676 1.902 -8.299 1.00 0.00 N ATOM 332 CA GLY A 106 8.665 1.222 -9.099 1.00 0.00 C ATOM 333 C GLY A 106 8.412 -0.190 -8.615 1.00 0.00 C ATOM 334 O GLY A 106 7.514 -0.876 -9.095 1.00 0.00 O ATOM 0 H GLY A 106 9.297 2.486 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.735 1.789 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.985 1.196 -10.141 1.00 0.00 H new ATOM 338 N CYS A 107 9.204 -0.607 -7.670 1.00 0.00 N ATOM 339 CA CYS A 107 9.177 -1.920 -7.139 1.00 0.00 C ATOM 340 C CYS A 107 8.239 -2.080 -5.940 1.00 0.00 C ATOM 341 O CYS A 107 7.810 -1.094 -5.330 1.00 0.00 O ATOM 342 CB CYS A 107 10.579 -2.292 -6.801 1.00 0.00 C ATOM 343 SG CYS A 107 11.625 -2.579 -8.235 1.00 0.00 S ATOM 0 H CYS A 107 9.910 -0.011 -7.238 1.00 0.00 H new ATOM 0 HA CYS A 107 8.767 -2.596 -7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.019 -1.499 -6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.567 -3.192 -6.187 1.00 0.00 H new ATOM 0 HG CYS A 107 12.583 -1.701 -8.256 1.00 0.00 H new ATOM 349 N ILE A 108 7.945 -3.329 -5.611 1.00 0.00 N ATOM 350 CA ILE A 108 7.047 -3.685 -4.517 1.00 0.00 C ATOM 351 C ILE A 108 7.800 -3.758 -3.198 1.00 0.00 C ATOM 352 O ILE A 108 8.867 -4.359 -3.116 1.00 0.00 O ATOM 353 CB ILE A 108 6.417 -5.071 -4.749 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.861 -5.167 -6.160 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.326 -5.312 -3.718 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.214 -6.499 -6.503 1.00 0.00 C ATOM 0 H ILE A 108 8.328 -4.137 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 108 6.278 -2.913 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 108 7.181 -5.840 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.125 -4.375 -6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.669 -4.979 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.880 -6.293 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.756 -5.272 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.558 -4.544 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.847 -6.472 -7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.949 -7.297 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.381 -6.684 -5.825 1.00 0.00 H new ATOM 368 N TYR A 109 7.246 -3.161 -2.188 1.00 0.00 N ATOM 369 CA TYR A 109 7.818 -3.172 -0.858 1.00 0.00 C ATOM 370 C TYR A 109 6.702 -3.292 0.170 1.00 0.00 C ATOM 371 O TYR A 109 5.560 -2.879 -0.108 1.00 0.00 O ATOM 372 CB TYR A 109 8.629 -1.904 -0.600 1.00 0.00 C ATOM 373 CG TYR A 109 9.883 -1.760 -1.444 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.830 -1.208 -2.713 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.119 -2.166 -0.959 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.969 -1.066 -3.475 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.255 -2.027 -1.711 1.00 0.00 C ATOM 378 CZ TYR A 109 12.181 -1.477 -2.965 1.00 0.00 C ATOM 379 OH TYR A 109 13.329 -1.349 -3.708 1.00 0.00 O ATOM 0 H TYR A 109 6.371 -2.642 -2.256 1.00 0.00 H new ATOM 0 HA TYR A 109 8.490 -4.026 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.989 -1.040 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.913 -1.880 0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.880 -0.884 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.186 -2.599 0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.912 -0.636 -4.464 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.207 -2.350 -1.317 1.00 0.00 H new ATOM 0 HH TYR A 109 13.315 -0.494 -4.187 1.00 0.00 H new ATOM 389 N PRO A 110 6.986 -3.874 1.350 1.00 0.00 N ATOM 390 CA PRO A 110 5.986 -4.035 2.404 1.00 0.00 C ATOM 391 C PRO A 110 5.608 -2.690 3.036 1.00 0.00 C ATOM 392 O PRO A 110 6.477 -1.900 3.426 1.00 0.00 O ATOM 393 CB PRO A 110 6.687 -4.931 3.433 1.00 0.00 C ATOM 394 CG PRO A 110 8.141 -4.679 3.226 1.00 0.00 C ATOM 395 CD PRO A 110 8.309 -4.406 1.758 1.00 0.00 C ATOM 0 HA PRO A 110 5.054 -4.455 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.382 -4.680 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.441 -5.981 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.479 -3.831 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.734 -5.541 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.106 -3.686 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.564 -5.312 1.208 1.00 0.00 H new ATOM 403 N ALA A 111 4.335 -2.433 3.148 1.00 0.00 N ATOM 404 CA ALA A 111 3.873 -1.189 3.699 1.00 0.00 C ATOM 405 C ALA A 111 2.614 -1.400 4.497 1.00 0.00 C ATOM 406 O ALA A 111 1.851 -2.302 4.219 1.00 0.00 O ATOM 407 CB ALA A 111 3.639 -0.182 2.602 1.00 0.00 C ATOM 0 H ALA A 111 3.594 -3.073 2.863 1.00 0.00 H new ATOM 0 HA ALA A 111 4.642 -0.801 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.289 0.755 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.571 -0.007 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.887 -0.564 1.911 1.00 0.00 H new ATOM 413 N THR A 112 2.394 -0.583 5.474 1.00 0.00 N ATOM 414 CA THR A 112 1.230 -0.726 6.306 1.00 0.00 C ATOM 415 C THR A 112 0.338 0.493 6.171 1.00 0.00 C ATOM 416 O THR A 112 0.821 1.620 6.174 1.00 0.00 O ATOM 417 CB THR A 112 1.642 -0.931 7.769 1.00 0.00 C ATOM 418 OG1 THR A 112 2.610 -1.992 7.820 1.00 0.00 O ATOM 419 CG2 THR A 112 0.439 -1.318 8.627 1.00 0.00 C ATOM 0 H THR A 112 3.004 0.196 5.722 1.00 0.00 H new ATOM 0 HA THR A 112 0.671 -1.603 5.980 1.00 0.00 H new ATOM 0 HB THR A 112 2.057 -0.000 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.473 -1.663 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.758 -1.457 9.660 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.309 -0.527 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.008 -2.246 8.252 1.00 0.00 H new ATOM 427 N ILE A 113 -0.943 0.254 6.047 1.00 0.00 N ATOM 428 CA ILE A 113 -1.934 1.298 5.869 1.00 0.00 C ATOM 429 C ILE A 113 -2.023 2.182 7.110 1.00 0.00 C ATOM 430 O ILE A 113 -2.369 1.712 8.197 1.00 0.00 O ATOM 431 CB ILE A 113 -3.307 0.672 5.598 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.206 -0.283 4.415 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.329 1.762 5.307 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.386 -1.195 4.279 1.00 0.00 C ATOM 0 H ILE A 113 -1.339 -0.686 6.067 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.631 1.912 5.020 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.631 0.118 6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.098 0.297 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.303 -0.884 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.301 1.308 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.403 2.430 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.016 2.330 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.245 -1.846 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.483 -1.802 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.290 -0.602 4.142 1.00 0.00 H new ATOM 446 N ALA A 114 -1.713 3.438 6.928 1.00 0.00 N ATOM 447 CA ALA A 114 -1.731 4.416 7.992 1.00 0.00 C ATOM 448 C ALA A 114 -3.064 5.144 8.035 1.00 0.00 C ATOM 449 O ALA A 114 -3.551 5.493 9.106 1.00 0.00 O ATOM 450 CB ALA A 114 -0.604 5.414 7.806 1.00 0.00 C ATOM 0 H ALA A 114 -1.436 3.820 6.024 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.592 3.892 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.629 6.145 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.352 4.890 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.724 5.925 6.851 1.00 0.00 H new ATOM 456 N SER A 115 -3.638 5.411 6.875 1.00 0.00 N ATOM 457 CA SER A 115 -4.939 6.082 6.770 1.00 0.00 C ATOM 458 C SER A 115 -5.515 5.795 5.391 1.00 0.00 C ATOM 459 O SER A 115 -4.754 5.618 4.450 1.00 0.00 O ATOM 460 CB SER A 115 -4.787 7.610 6.941 1.00 0.00 C ATOM 461 OG SER A 115 -4.111 7.948 8.155 1.00 0.00 O ATOM 0 H SER A 115 -3.222 5.172 5.975 1.00 0.00 H new ATOM 0 HA SER A 115 -5.597 5.710 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.235 8.017 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.772 8.076 6.933 1.00 0.00 H new ATOM 0 HG SER A 115 -4.153 7.190 8.775 1.00 0.00 H new ATOM 467 N ILE A 116 -6.824 5.744 5.276 1.00 0.00 N ATOM 468 CA ILE A 116 -7.485 5.485 4.014 1.00 0.00 C ATOM 469 C ILE A 116 -8.419 6.624 3.679 1.00 0.00 C ATOM 470 O ILE A 116 -9.156 7.109 4.545 1.00 0.00 O ATOM 471 CB ILE A 116 -8.334 4.188 4.061 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.478 2.982 4.409 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.050 3.966 2.730 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.258 1.706 4.530 1.00 0.00 C ATOM 0 H ILE A 116 -7.464 5.882 6.059 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.702 5.378 3.263 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.082 4.308 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.711 2.858 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.962 3.173 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.640 3.051 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.707 4.811 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.314 3.877 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.582 0.888 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -9.007 1.810 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.753 1.491 3.583 1.00 0.00 H new ATOM 486 N ASP A 117 -8.363 7.073 2.463 1.00 0.00 N ATOM 487 CA ASP A 117 -9.288 8.044 1.978 1.00 0.00 C ATOM 488 C ASP A 117 -10.188 7.346 0.997 1.00 0.00 C ATOM 489 O ASP A 117 -9.793 7.073 -0.139 1.00 0.00 O ATOM 490 CB ASP A 117 -8.603 9.206 1.306 1.00 0.00 C ATOM 491 CG ASP A 117 -9.557 10.345 1.057 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.411 10.260 0.150 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.456 11.367 1.775 1.00 0.00 O ATOM 0 H ASP A 117 -7.670 6.773 1.777 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.846 8.458 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.778 9.552 1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.173 8.878 0.360 1.00 0.00 H new ATOM 498 N PHE A 118 -11.365 7.036 1.425 1.00 0.00 N ATOM 499 CA PHE A 118 -12.301 6.277 0.624 1.00 0.00 C ATOM 500 C PHE A 118 -12.842 7.081 -0.533 1.00 0.00 C ATOM 501 O PHE A 118 -13.300 6.520 -1.510 1.00 0.00 O ATOM 502 CB PHE A 118 -13.432 5.747 1.487 1.00 0.00 C ATOM 503 CG PHE A 118 -12.978 4.798 2.560 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.728 3.471 2.265 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.798 5.235 3.860 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.305 2.596 3.244 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.378 4.368 4.844 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.130 3.045 4.537 1.00 0.00 C ATOM 0 H PHE A 118 -11.719 7.298 2.345 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.757 5.433 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.947 6.588 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.157 5.241 0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.866 3.115 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.989 6.269 4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.111 1.562 2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.243 4.723 5.855 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.800 2.363 5.307 1.00 0.00 H new ATOM 518 N LYS A 119 -12.766 8.387 -0.439 1.00 0.00 N ATOM 519 CA LYS A 119 -13.256 9.235 -1.508 1.00 0.00 C ATOM 520 C LYS A 119 -12.322 9.203 -2.695 1.00 0.00 C ATOM 521 O LYS A 119 -12.761 9.192 -3.853 1.00 0.00 O ATOM 522 CB LYS A 119 -13.554 10.675 -1.056 1.00 0.00 C ATOM 523 CG LYS A 119 -14.830 10.822 -0.223 1.00 0.00 C ATOM 524 CD LYS A 119 -14.727 10.236 1.180 1.00 0.00 C ATOM 525 CE LYS A 119 -13.939 11.142 2.113 1.00 0.00 C ATOM 526 NZ LYS A 119 -14.600 12.455 2.303 1.00 0.00 N ATOM 0 H LYS A 119 -12.373 8.886 0.359 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.215 8.820 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.709 11.043 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.634 11.311 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.081 11.880 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.652 10.337 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.728 10.080 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.247 9.258 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.821 10.652 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.938 11.295 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.682 12.658 3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.034 13.198 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.548 12.431 1.877 1.00 0.00 H new ATOM 540 N ARG A 120 -11.034 9.162 -2.416 1.00 0.00 N ATOM 541 CA ARG A 120 -10.039 9.098 -3.466 1.00 0.00 C ATOM 542 C ARG A 120 -9.696 7.660 -3.772 1.00 0.00 C ATOM 543 O ARG A 120 -8.972 7.380 -4.732 1.00 0.00 O ATOM 544 CB ARG A 120 -8.764 9.802 -3.023 1.00 0.00 C ATOM 545 CG ARG A 120 -8.921 11.265 -2.690 1.00 0.00 C ATOM 546 CD ARG A 120 -9.351 12.060 -3.895 1.00 0.00 C ATOM 547 NE ARG A 120 -9.393 13.481 -3.602 1.00 0.00 N ATOM 548 CZ ARG A 120 -9.387 14.444 -4.517 1.00 0.00 C ATOM 549 NH1 ARG A 120 -9.393 14.132 -5.812 1.00 0.00 N ATOM 550 NH2 ARG A 120 -9.395 15.713 -4.137 1.00 0.00 N ATOM 0 H ARG A 120 -10.653 9.172 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.450 9.583 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.369 9.287 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.020 9.703 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.656 11.382 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.977 11.657 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.662 11.877 -4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.335 11.725 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.430 13.761 -2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.402 13.154 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.388 14.871 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.406 15.948 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.390 16.455 -4.837 1.00 0.00 H new ATOM 564 N GLU A 121 -10.226 6.754 -2.941 1.00 0.00 N ATOM 565 CA GLU A 121 -9.956 5.316 -3.022 1.00 0.00 C ATOM 566 C GLU A 121 -8.471 5.052 -2.835 1.00 0.00 C ATOM 567 O GLU A 121 -7.911 4.067 -3.345 1.00 0.00 O ATOM 568 CB GLU A 121 -10.457 4.744 -4.340 1.00 0.00 C ATOM 569 CG GLU A 121 -11.964 4.757 -4.475 1.00 0.00 C ATOM 570 CD GLU A 121 -12.659 3.812 -3.526 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.105 2.736 -3.212 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.815 4.093 -3.122 1.00 0.00 O ATOM 0 H GLU A 121 -10.862 7.004 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.496 4.813 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.023 5.314 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.101 3.719 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.328 5.769 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.232 4.495 -5.498 1.00 0.00 H new ATOM 579 N THR A 122 -7.848 5.899 -2.066 1.00 0.00 N ATOM 580 CA THR A 122 -6.447 5.788 -1.817 1.00 0.00 C ATOM 581 C THR A 122 -6.190 5.651 -0.340 1.00 0.00 C ATOM 582 O THR A 122 -7.079 5.851 0.469 1.00 0.00 O ATOM 583 CB THR A 122 -5.666 7.002 -2.363 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.196 8.219 -1.810 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.716 7.069 -3.883 1.00 0.00 C ATOM 0 H THR A 122 -8.300 6.684 -1.597 1.00 0.00 H new ATOM 0 HA THR A 122 -6.096 4.898 -2.338 1.00 0.00 H new ATOM 0 HB THR A 122 -4.624 6.883 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.693 8.984 -2.161 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.155 7.937 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.277 6.163 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.752 7.154 -4.210 1.00 0.00 H new ATOM 593 N CYS A 123 -5.010 5.283 -0.001 1.00 0.00 N ATOM 594 CA CYS A 123 -4.607 5.178 1.352 1.00 0.00 C ATOM 595 C CYS A 123 -3.144 5.492 1.463 1.00 0.00 C ATOM 596 O CYS A 123 -2.386 5.285 0.515 1.00 0.00 O ATOM 597 CB CYS A 123 -4.892 3.779 1.872 1.00 0.00 C ATOM 598 SG CYS A 123 -4.223 2.475 0.829 1.00 0.00 S ATOM 0 H CYS A 123 -4.281 5.041 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.169 5.891 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.476 3.681 2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.970 3.645 1.960 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.333 1.801 1.495 1.00 0.00 H new ATOM 604 N VAL A 124 -2.749 5.976 2.586 1.00 0.00 N ATOM 605 CA VAL A 124 -1.375 6.250 2.835 1.00 0.00 C ATOM 606 C VAL A 124 -0.815 5.062 3.546 1.00 0.00 C ATOM 607 O VAL A 124 -1.413 4.575 4.510 1.00 0.00 O ATOM 608 CB VAL A 124 -1.178 7.519 3.708 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.299 7.744 4.020 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.750 8.735 3.009 1.00 0.00 C ATOM 0 H VAL A 124 -3.371 6.195 3.364 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.867 6.437 1.889 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.709 7.366 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.409 8.639 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.692 6.883 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.852 7.871 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.604 9.616 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.243 8.879 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.816 8.587 2.834 1.00 0.00 H new ATOM 620 N VAL A 125 0.295 4.588 3.084 1.00 0.00 N ATOM 621 CA VAL A 125 0.911 3.446 3.656 1.00 0.00 C ATOM 622 C VAL A 125 2.322 3.808 4.082 1.00 0.00 C ATOM 623 O VAL A 125 2.971 4.665 3.475 1.00 0.00 O ATOM 624 CB VAL A 125 0.965 2.240 2.654 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.421 1.804 2.187 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.856 2.556 1.458 1.00 0.00 C ATOM 0 H VAL A 125 0.800 4.988 2.293 1.00 0.00 H new ATOM 0 HA VAL A 125 0.314 3.136 4.514 1.00 0.00 H new ATOM 0 HB VAL A 125 1.399 1.403 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.325 0.967 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.015 1.498 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.914 2.636 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.874 1.702 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.464 3.427 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.868 2.766 1.804 1.00 0.00 H new ATOM 636 N VAL A 126 2.759 3.197 5.127 1.00 0.00 N ATOM 637 CA VAL A 126 4.078 3.390 5.653 1.00 0.00 C ATOM 638 C VAL A 126 4.891 2.169 5.343 1.00 0.00 C ATOM 639 O VAL A 126 4.514 1.065 5.727 1.00 0.00 O ATOM 640 CB VAL A 126 4.058 3.623 7.190 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.479 3.617 7.756 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.357 4.938 7.523 1.00 0.00 C ATOM 0 H VAL A 126 2.199 2.530 5.658 1.00 0.00 H new ATOM 0 HA VAL A 126 4.512 4.277 5.192 1.00 0.00 H new ATOM 0 HB VAL A 126 3.501 2.807 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.442 3.782 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.948 2.654 7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.061 4.411 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.352 5.085 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.887 5.763 7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.331 4.906 7.157 1.00 0.00 H new ATOM 652 N TYR A 127 5.972 2.360 4.639 1.00 0.00 N ATOM 653 CA TYR A 127 6.842 1.281 4.270 1.00 0.00 C ATOM 654 C TYR A 127 7.538 0.732 5.484 1.00 0.00 C ATOM 655 O TYR A 127 8.363 1.415 6.131 1.00 0.00 O ATOM 656 CB TYR A 127 7.828 1.703 3.206 1.00 0.00 C ATOM 657 CG TYR A 127 7.167 2.046 1.897 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.694 1.038 1.054 1.00 0.00 C ATOM 659 CD2 TYR A 127 7.003 3.363 1.502 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.086 1.340 -0.144 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.385 3.667 0.317 1.00 0.00 C ATOM 662 CZ TYR A 127 5.932 2.654 -0.504 1.00 0.00 C ATOM 663 OH TYR A 127 5.280 2.962 -1.674 1.00 0.00 O ATOM 0 H TYR A 127 6.275 3.274 4.304 1.00 0.00 H new ATOM 0 HA TYR A 127 6.234 0.485 3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.390 2.567 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.547 0.900 3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.807 0.005 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.366 4.159 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.735 0.551 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.253 4.699 0.026 1.00 0.00 H new ATOM 0 HH TYR A 127 5.556 3.852 -1.978 1.00 0.00 H new ATOM 673 N THR A 128 7.184 -0.473 5.788 1.00 0.00 N ATOM 674 CA THR A 128 7.621 -1.166 6.942 1.00 0.00 C ATOM 675 C THR A 128 9.117 -1.450 6.874 1.00 0.00 C ATOM 676 O THR A 128 9.627 -1.947 5.867 1.00 0.00 O ATOM 677 CB THR A 128 6.829 -2.473 7.035 1.00 0.00 C ATOM 678 OG1 THR A 128 5.420 -2.159 7.081 1.00 0.00 O ATOM 679 CG2 THR A 128 7.225 -3.280 8.260 1.00 0.00 C ATOM 0 H THR A 128 6.551 -1.022 5.206 1.00 0.00 H new ATOM 0 HA THR A 128 7.449 -0.556 7.828 1.00 0.00 H new ATOM 0 HB THR A 128 7.052 -3.082 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 128 4.902 -2.989 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.642 -4.201 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.286 -3.524 8.208 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.031 -2.695 9.159 1.00 0.00 H new ATOM 687 N GLY A 129 9.810 -1.111 7.939 1.00 0.00 N ATOM 688 CA GLY A 129 11.223 -1.331 8.006 1.00 0.00 C ATOM 689 C GLY A 129 12.006 -0.198 7.391 1.00 0.00 C ATOM 690 O GLY A 129 13.231 -0.201 7.436 1.00 0.00 O ATOM 0 H GLY A 129 9.407 -0.680 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.521 -1.453 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.469 -2.261 7.493 1.00 0.00 H new ATOM 694 N TYR A 130 11.312 0.758 6.790 1.00 0.00 N ATOM 695 CA TYR A 130 11.979 1.886 6.201 1.00 0.00 C ATOM 696 C TYR A 130 11.568 3.172 6.886 1.00 0.00 C ATOM 697 O TYR A 130 12.413 3.966 7.295 1.00 0.00 O ATOM 698 CB TYR A 130 11.689 1.965 4.723 1.00 0.00 C ATOM 699 CG TYR A 130 12.154 0.773 3.925 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.487 0.618 3.616 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.257 -0.175 3.458 1.00 0.00 C ATOM 702 CE1 TYR A 130 13.924 -0.444 2.862 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.687 -1.248 2.705 1.00 0.00 C ATOM 704 CZ TYR A 130 13.027 -1.373 2.409 1.00 0.00 C ATOM 705 OH TYR A 130 13.477 -2.428 1.651 1.00 0.00 O ATOM 0 H TYR A 130 10.296 0.766 6.703 1.00 0.00 H new ATOM 0 HA TYR A 130 13.052 1.751 6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.614 2.082 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.162 2.861 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.202 1.345 3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.207 -0.072 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 130 14.973 -0.546 2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 130 10.980 -1.983 2.351 1.00 0.00 H new ATOM 0 HH TYR A 130 13.006 -2.438 0.792 1.00 0.00 H new ATOM 715 N GLY A 131 10.274 3.383 7.015 1.00 0.00 N ATOM 716 CA GLY A 131 9.803 4.570 7.688 1.00 0.00 C ATOM 717 C GLY A 131 9.295 5.649 6.754 1.00 0.00 C ATOM 718 O GLY A 131 9.069 6.785 7.180 1.00 0.00 O ATOM 0 H GLY A 131 9.544 2.760 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.003 4.292 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.614 4.979 8.291 1.00 0.00 H new ATOM 722 N ASN A 132 9.114 5.330 5.490 1.00 0.00 N ATOM 723 CA ASN A 132 8.547 6.327 4.569 1.00 0.00 C ATOM 724 C ASN A 132 7.090 6.098 4.426 1.00 0.00 C ATOM 725 O ASN A 132 6.598 5.018 4.731 1.00 0.00 O ATOM 726 CB ASN A 132 9.167 6.353 3.165 1.00 0.00 C ATOM 727 CG ASN A 132 10.571 6.914 3.093 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.983 7.711 3.935 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.297 6.543 2.063 1.00 0.00 N ATOM 0 H ASN A 132 9.338 4.426 5.075 1.00 0.00 H new ATOM 0 HA ASN A 132 8.776 7.291 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.178 5.337 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.523 6.942 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.238 6.918 1.940 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.920 5.880 1.386 1.00 0.00 H new ATOM 736 N ARG A 133 6.403 7.075 3.940 1.00 0.00 N ATOM 737 CA ARG A 133 4.988 6.972 3.755 1.00 0.00 C ATOM 738 C ARG A 133 4.611 7.490 2.392 1.00 0.00 C ATOM 739 O ARG A 133 5.181 8.482 1.898 1.00 0.00 O ATOM 740 CB ARG A 133 4.204 7.626 4.920 1.00 0.00 C ATOM 741 CG ARG A 133 4.344 9.133 5.094 1.00 0.00 C ATOM 742 CD ARG A 133 3.331 9.913 4.270 1.00 0.00 C ATOM 743 NE ARG A 133 3.367 11.357 4.562 1.00 0.00 N ATOM 744 CZ ARG A 133 2.490 12.265 4.093 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.589 11.920 3.192 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.543 13.521 4.507 1.00 0.00 N ATOM 0 H ARG A 133 6.803 7.970 3.658 1.00 0.00 H new ATOM 0 HA ARG A 133 4.697 5.922 3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.147 7.398 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.517 7.148 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.223 9.386 6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.351 9.436 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.528 9.754 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.331 9.529 4.469 1.00 0.00 H new ATOM 0 HE ARG A 133 4.115 11.695 5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.554 10.961 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.928 12.613 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.251 13.805 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.876 14.205 4.149 1.00 0.00 H new ATOM 760 N GLU A 134 3.714 6.811 1.773 1.00 0.00 N ATOM 761 CA GLU A 134 3.323 7.093 0.450 1.00 0.00 C ATOM 762 C GLU A 134 1.848 6.765 0.279 1.00 0.00 C ATOM 763 O GLU A 134 1.330 5.892 0.963 1.00 0.00 O ATOM 764 CB GLU A 134 4.225 6.269 -0.451 1.00 0.00 C ATOM 765 CG GLU A 134 3.941 6.354 -1.898 1.00 0.00 C ATOM 766 CD GLU A 134 5.199 6.171 -2.717 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.986 7.141 -2.824 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.429 5.082 -3.278 1.00 0.00 O ATOM 0 H GLU A 134 3.221 6.022 2.190 1.00 0.00 H new ATOM 0 HA GLU A 134 3.431 8.147 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.256 6.580 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.154 5.225 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.212 5.592 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.493 7.321 -2.127 1.00 0.00 H new ATOM 775 N GLU A 135 1.191 7.467 -0.601 1.00 0.00 N ATOM 776 CA GLU A 135 -0.220 7.312 -0.815 1.00 0.00 C ATOM 777 C GLU A 135 -0.451 6.522 -2.068 1.00 0.00 C ATOM 778 O GLU A 135 -0.019 6.907 -3.151 1.00 0.00 O ATOM 779 CB GLU A 135 -0.889 8.669 -0.894 1.00 0.00 C ATOM 780 CG GLU A 135 -2.388 8.623 -1.041 1.00 0.00 C ATOM 781 CD GLU A 135 -2.976 9.993 -1.028 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.045 10.631 -2.090 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.384 10.469 0.061 1.00 0.00 O ATOM 0 H GLU A 135 1.626 8.171 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.659 6.771 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.643 9.234 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.471 9.217 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.649 8.122 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.817 8.033 -0.231 1.00 0.00 H new ATOM 790 N GLN A 136 -1.117 5.427 -1.901 1.00 0.00 N ATOM 791 CA GLN A 136 -1.345 4.466 -2.941 1.00 0.00 C ATOM 792 C GLN A 136 -2.824 4.214 -3.032 1.00 0.00 C ATOM 793 O GLN A 136 -3.559 4.549 -2.122 1.00 0.00 O ATOM 794 CB GLN A 136 -0.640 3.174 -2.560 1.00 0.00 C ATOM 795 CG GLN A 136 0.821 3.377 -2.200 1.00 0.00 C ATOM 796 CD GLN A 136 1.721 3.563 -3.403 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.305 4.018 -4.476 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.959 3.293 -3.215 1.00 0.00 N ATOM 0 H GLN A 136 -1.533 5.164 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.968 4.829 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.157 2.721 -1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.709 2.471 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.909 4.249 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.168 2.518 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.269 2.919 -2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.635 3.452 -3.962 1.00 0.00 H new ATOM 807 N ASN A 137 -3.255 3.639 -4.098 1.00 0.00 N ATOM 808 CA ASN A 137 -4.667 3.346 -4.290 1.00 0.00 C ATOM 809 C ASN A 137 -4.977 2.037 -3.636 1.00 0.00 C ATOM 810 O ASN A 137 -4.177 1.120 -3.701 1.00 0.00 O ATOM 811 CB ASN A 137 -5.006 3.212 -5.773 1.00 0.00 C ATOM 812 CG ASN A 137 -4.622 4.403 -6.616 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.426 5.311 -6.848 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.391 4.429 -7.061 1.00 0.00 N ATOM 0 H ASN A 137 -2.656 3.351 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.247 4.162 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.506 2.328 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.078 3.043 -5.873 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.067 5.218 -7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.756 3.660 -6.849 1.00 0.00 H new ATOM 821 N LEU A 138 -6.139 1.943 -3.046 1.00 0.00 N ATOM 822 CA LEU A 138 -6.625 0.708 -2.400 1.00 0.00 C ATOM 823 C LEU A 138 -6.687 -0.419 -3.418 1.00 0.00 C ATOM 824 O LEU A 138 -6.370 -1.561 -3.134 1.00 0.00 O ATOM 825 CB LEU A 138 -8.024 0.951 -1.857 1.00 0.00 C ATOM 826 CG LEU A 138 -8.143 1.990 -0.759 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.590 2.395 -0.596 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.608 1.427 0.546 1.00 0.00 C ATOM 0 H LEU A 138 -6.798 2.720 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.945 0.434 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.666 1.252 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.414 0.006 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.556 2.868 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.672 3.142 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.958 2.815 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.185 1.521 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.697 2.179 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.183 0.543 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.560 1.154 0.422 1.00 0.00 H new ATOM 840 N SER A 139 -7.052 -0.051 -4.610 1.00 0.00 N ATOM 841 CA SER A 139 -7.184 -0.939 -5.720 1.00 0.00 C ATOM 842 C SER A 139 -5.822 -1.262 -6.353 1.00 0.00 C ATOM 843 O SER A 139 -5.700 -2.175 -7.174 1.00 0.00 O ATOM 844 CB SER A 139 -8.088 -0.236 -6.703 1.00 0.00 C ATOM 845 OG SER A 139 -7.778 1.168 -6.702 1.00 0.00 O ATOM 0 H SER A 139 -7.274 0.917 -4.842 1.00 0.00 H new ATOM 0 HA SER A 139 -7.599 -1.897 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.953 -0.651 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.132 -0.391 -6.432 1.00 0.00 H new ATOM 0 HG SER A 139 -8.360 1.632 -7.340 1.00 0.00 H new ATOM 851 N ASP A 140 -4.798 -0.540 -5.943 1.00 0.00 N ATOM 852 CA ASP A 140 -3.472 -0.701 -6.532 1.00 0.00 C ATOM 853 C ASP A 140 -2.541 -1.344 -5.528 1.00 0.00 C ATOM 854 O ASP A 140 -1.382 -1.658 -5.829 1.00 0.00 O ATOM 855 CB ASP A 140 -2.915 0.652 -6.987 1.00 0.00 C ATOM 856 CG ASP A 140 -1.690 0.529 -7.867 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.760 -0.165 -8.897 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.654 1.145 -7.565 1.00 0.00 O ATOM 0 H ASP A 140 -4.852 0.164 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.552 -1.346 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.691 1.193 -7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.665 1.248 -6.109 1.00 0.00 H new ATOM 863 N LEU A 141 -3.054 -1.541 -4.327 1.00 0.00 N ATOM 864 CA LEU A 141 -2.311 -2.194 -3.281 1.00 0.00 C ATOM 865 C LEU A 141 -2.078 -3.636 -3.617 1.00 0.00 C ATOM 866 O LEU A 141 -2.744 -4.212 -4.497 1.00 0.00 O ATOM 867 CB LEU A 141 -3.002 -2.091 -1.925 1.00 0.00 C ATOM 868 CG LEU A 141 -3.142 -0.701 -1.326 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.779 -0.791 0.039 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.792 -0.017 -1.237 1.00 0.00 C ATOM 0 H LEU A 141 -3.994 -1.252 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.355 -1.676 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.999 -2.521 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.453 -2.711 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.782 -0.104 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.876 0.209 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.766 -1.245 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.156 -1.402 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.915 0.976 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.126 -0.606 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.362 0.072 -2.235 1.00 0.00 H new ATOM 882 N LEU A 142 -1.151 -4.208 -2.940 1.00 0.00 N ATOM 883 CA LEU A 142 -0.760 -5.555 -3.173 1.00 0.00 C ATOM 884 C LEU A 142 -0.771 -6.290 -1.855 1.00 0.00 C ATOM 885 O LEU A 142 -0.719 -5.660 -0.784 1.00 0.00 O ATOM 886 CB LEU A 142 0.639 -5.551 -3.780 1.00 0.00 C ATOM 887 CG LEU A 142 0.790 -4.722 -5.058 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.236 -4.492 -5.384 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.071 -5.375 -6.233 1.00 0.00 C ATOM 0 H LEU A 142 -0.631 -3.747 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.443 -6.053 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.340 -5.173 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.927 -6.580 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 142 0.323 -3.754 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.314 -3.901 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.713 -3.957 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.733 -5.451 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.198 -4.761 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.491 -6.365 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.991 -5.467 -6.004 1.00 0.00 H new ATOM 901 N SER A 143 -0.839 -7.584 -1.922 1.00 0.00 N ATOM 902 CA SER A 143 -0.879 -8.418 -0.749 1.00 0.00 C ATOM 903 C SER A 143 0.471 -8.380 -0.036 1.00 0.00 C ATOM 904 O SER A 143 1.529 -8.364 -0.687 1.00 0.00 O ATOM 905 CB SER A 143 -1.279 -9.835 -1.147 1.00 0.00 C ATOM 906 OG SER A 143 -2.506 -9.808 -1.873 1.00 0.00 O ATOM 0 H SER A 143 -0.869 -8.102 -2.800 1.00 0.00 H new ATOM 0 HA SER A 143 -1.626 -8.044 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.496 -10.285 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.387 -10.455 -0.257 1.00 0.00 H new ATOM 0 HG SER A 143 -2.756 -10.721 -2.127 1.00 0.00 H new ATOM 912 N PRO A 144 0.452 -8.347 1.306 1.00 0.00 N ATOM 913 CA PRO A 144 1.651 -8.167 2.110 1.00 0.00 C ATOM 914 C PRO A 144 2.667 -9.273 1.978 1.00 0.00 C ATOM 915 O PRO A 144 2.332 -10.456 1.787 1.00 0.00 O ATOM 916 CB PRO A 144 1.143 -8.121 3.540 1.00 0.00 C ATOM 917 CG PRO A 144 -0.161 -8.834 3.494 1.00 0.00 C ATOM 918 CD PRO A 144 -0.748 -8.508 2.156 1.00 0.00 C ATOM 0 HA PRO A 144 2.177 -7.270 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.838 -8.608 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.022 -7.094 3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -0.025 -9.909 3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.816 -8.506 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.397 -9.305 1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.347 -7.598 2.187 1.00 0.00 H new ATOM 926 N ILE A 145 3.892 -8.862 2.061 1.00 0.00 N ATOM 927 CA ILE A 145 5.035 -9.722 2.083 1.00 0.00 C ATOM 928 C ILE A 145 5.251 -10.119 3.541 1.00 0.00 C ATOM 929 O ILE A 145 4.773 -9.408 4.447 1.00 0.00 O ATOM 930 CB ILE A 145 6.270 -8.926 1.570 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.987 -8.381 0.164 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.539 -9.775 1.596 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.083 -7.507 -0.407 1.00 0.00 C ATOM 0 H ILE A 145 4.135 -7.873 2.118 1.00 0.00 H new ATOM 0 HA ILE A 145 4.895 -10.601 1.454 1.00 0.00 H new ATOM 0 HB ILE A 145 6.443 -8.086 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.822 -9.221 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.060 -7.808 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.379 -9.185 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.740 -10.098 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.405 -10.649 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.796 -7.168 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.235 -6.644 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.008 -8.079 -0.471 1.00 0.00 H new ATOM 945 N CYS A 146 5.926 -11.215 3.786 1.00 0.00 N ATOM 946 CA CYS A 146 6.182 -11.637 5.130 1.00 0.00 C ATOM 947 C CYS A 146 7.299 -10.790 5.723 1.00 0.00 C ATOM 948 O CYS A 146 8.490 -11.082 5.581 1.00 0.00 O ATOM 949 CB CYS A 146 6.524 -13.118 5.199 1.00 0.00 C ATOM 950 SG CYS A 146 6.581 -13.804 6.873 1.00 0.00 S ATOM 0 H CYS A 146 6.307 -11.829 3.066 1.00 0.00 H new ATOM 0 HA CYS A 146 5.274 -11.495 5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 146 5.788 -13.674 4.618 1.00 0.00 H new ATOM 0 HB3 CYS A 146 7.492 -13.276 4.723 1.00 0.00 H new ATOM 0 HG CYS A 146 6.878 -15.068 6.814 1.00 0.00 H new ATOM 956 N GLU A 147 6.900 -9.686 6.236 1.00 0.00 N ATOM 957 CA GLU A 147 7.737 -8.782 6.920 1.00 0.00 C ATOM 958 C GLU A 147 7.019 -8.431 8.203 1.00 0.00 C ATOM 959 O GLU A 147 7.377 -8.976 9.261 1.00 0.00 O ATOM 960 CB GLU A 147 7.978 -7.533 6.063 1.00 0.00 C ATOM 961 CG GLU A 147 8.969 -6.545 6.652 1.00 0.00 C ATOM 962 CD GLU A 147 10.355 -7.129 6.828 1.00 0.00 C ATOM 963 OE1 GLU A 147 11.133 -7.176 5.847 1.00 0.00 O ATOM 964 OE2 GLU A 147 10.700 -7.558 7.946 1.00 0.00 O ATOM 965 OXT GLU A 147 6.005 -7.702 8.138 1.00 0.00 O ATOM 0 H GLU A 147 5.930 -9.375 6.186 1.00 0.00 H new ATOM 0 HA GLU A 147 8.715 -9.216 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 147 8.335 -7.845 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 147 7.026 -7.025 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.029 -5.670 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 147 8.600 -6.202 7.619 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 15.561 -0.925 -1.523 1.00 0.00 N HETATM 974 CA 2MR A1148 15.320 0.457 -1.910 1.00 0.00 C HETATM 975 CB 2MR A1148 16.191 1.425 -1.108 1.00 0.00 C HETATM 976 CG 2MR A1148 15.925 1.488 0.397 1.00 0.00 C HETATM 977 CD 2MR A1148 14.624 2.208 0.738 1.00 0.00 C HETATM 978 NE 2MR A1148 13.438 1.526 0.235 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.211 1.852 0.527 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.998 2.908 1.370 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.757 3.508 1.882 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.240 1.154 -0.083 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.801 1.250 0.008 1.00 0.00 C HETATM 984 C 2MR A1148 15.634 0.569 -3.354 1.00 0.00 C HETATM 985 O 2MR A1148 14.751 0.920 -4.120 1.00 0.00 O HETATM 986 OXT 2MR A1148 16.752 0.212 -3.741 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.489 1.070 1.037 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.483 2.246 -0.299 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.345 0.506 -0.645 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 10.154 3.865 1.047 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.195 2.760 2.442 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 11.001 4.344 2.537 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.576 0.432 -0.720 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.890 0.475 0.798 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.755 1.996 0.887 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.579 0.734 -0.392 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.545 2.308 1.821 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.657 3.217 0.326 1.00 0.00 H new HETATM 0 HB3 2MR A1148 17.235 1.152 -1.260 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.060 2.425 -1.521 1.00 0.00 H new HETATM 0 HA 2MR A1148 14.282 0.721 -1.708 1.00 0.00 H new HETATM 0 H2 2MR A1148 15.047 -1.679 -1.978 1.00 0.00 H new HETATM 0 H 2MR A1148 16.244 -1.139 -0.797 1.00 0.00 H new