USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 737 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 9 TYR OH : rot -107:sc= 0.0983 USER MOD Set 1.2: A 13 CYS SG : rot 180:sc= 0.0945 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0.781 (180deg=0.767) USER MOD Single : A 8 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.812 (180deg=-0.812) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -4.99! C(o=-5!,f=-4.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0022 USER MOD Single : A 18 ASN :FLIP amide:sc= -1.3 F(o=-1.8!,f=-1.3) USER MOD Single : A 20 CYS SG : rot 29:sc= -0.159 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 170:sc= -1.02! USER MOD Single : A 35 THR OG1 : rot 122:sc= 1.45 USER MOD Single : A 39 GLN : amide:sc= 0.561 K(o=0.56,f=-0.73) USER MOD Single : A 45 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 46 CYS SG : rot -140:sc= -0.509 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.8) USER MOD Single : A 54 THR OG1 : rot 86:sc= 0.407 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 60 ASN : amide:sc=-0.00717 K(o=-0.0072,f=-1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0207 K(o=-0.021,f=-1.1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 6:sc= -0.131 USER MOD Single : A 90 SER OG : rot 87:sc= 1.24 USER MOD Single : A 92 TYR OH : rot 21:sc= 1.23 USER MOD Single : A 93 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.11) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N PHE A 3 -11.935 -7.078 -1.923 1.00 0.00 N ATOM 53 CA PHE A 3 -13.113 -6.676 -2.642 1.00 0.00 C ATOM 54 C PHE A 3 -13.094 -5.178 -2.807 1.00 0.00 C ATOM 55 O PHE A 3 -12.927 -4.663 -3.903 1.00 0.00 O ATOM 56 CB PHE A 3 -14.368 -7.132 -1.877 1.00 0.00 C ATOM 57 CG PHE A 3 -15.676 -6.885 -2.588 1.00 0.00 C ATOM 58 CD1 PHE A 3 -16.142 -7.783 -3.535 1.00 0.00 C ATOM 59 CD2 PHE A 3 -16.442 -5.767 -2.301 1.00 0.00 C ATOM 60 CE1 PHE A 3 -17.344 -7.568 -4.178 1.00 0.00 C ATOM 61 CE2 PHE A 3 -17.643 -5.550 -2.939 1.00 0.00 C ATOM 62 CZ PHE A 3 -18.095 -6.449 -3.878 1.00 0.00 C ATOM 0 HA PHE A 3 -13.131 -7.140 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.281 -8.199 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.393 -6.621 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -15.558 -8.660 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.093 -5.056 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -17.697 -8.274 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.230 -4.675 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 3 -19.036 -6.279 -4.380 1.00 0.00 H new ATOM 72 N ALA A 4 -13.187 -4.483 -1.707 1.00 0.00 N ATOM 73 CA ALA A 4 -13.180 -3.047 -1.728 1.00 0.00 C ATOM 74 C ALA A 4 -11.744 -2.573 -1.762 1.00 0.00 C ATOM 75 O ALA A 4 -11.419 -1.497 -2.285 1.00 0.00 O ATOM 76 CB ALA A 4 -13.909 -2.519 -0.523 1.00 0.00 C ATOM 0 H ALA A 4 -13.269 -4.893 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.693 -2.672 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.902 -1.429 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.939 -2.875 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.415 -2.869 0.383 1.00 0.00 H new ATOM 82 N GLU A 5 -10.884 -3.428 -1.265 1.00 0.00 N ATOM 83 CA GLU A 5 -9.464 -3.218 -1.225 1.00 0.00 C ATOM 84 C GLU A 5 -8.921 -3.203 -2.663 1.00 0.00 C ATOM 85 O GLU A 5 -8.011 -2.450 -2.993 1.00 0.00 O ATOM 86 CB GLU A 5 -8.780 -4.337 -0.404 1.00 0.00 C ATOM 87 CG GLU A 5 -9.270 -4.511 1.057 1.00 0.00 C ATOM 88 CD GLU A 5 -10.702 -5.031 1.199 1.00 0.00 C ATOM 89 OE1 GLU A 5 -11.235 -5.637 0.239 1.00 0.00 O ATOM 90 OE2 GLU A 5 -11.320 -4.812 2.253 1.00 0.00 O ATOM 0 H GLU A 5 -11.168 -4.321 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.249 -2.263 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.922 -5.282 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.708 -4.141 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.597 -5.197 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.196 -3.550 1.567 1.00 0.00 H new ATOM 97 N ASP A 6 -9.538 -4.018 -3.515 1.00 0.00 N ATOM 98 CA ASP A 6 -9.208 -4.091 -4.955 1.00 0.00 C ATOM 99 C ASP A 6 -9.556 -2.785 -5.651 1.00 0.00 C ATOM 100 O ASP A 6 -8.855 -2.326 -6.569 1.00 0.00 O ATOM 101 CB ASP A 6 -9.980 -5.251 -5.611 1.00 0.00 C ATOM 102 CG ASP A 6 -10.049 -5.176 -7.131 1.00 0.00 C ATOM 103 OD1 ASP A 6 -9.015 -5.340 -7.821 1.00 0.00 O ATOM 104 OD2 ASP A 6 -11.157 -4.906 -7.673 1.00 0.00 O ATOM 0 H ASP A 6 -10.285 -4.653 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.137 -4.265 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.510 -6.192 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.995 -5.268 -5.213 1.00 0.00 H new ATOM 109 N LYS A 7 -10.616 -2.174 -5.192 1.00 0.00 N ATOM 110 CA LYS A 7 -11.087 -0.935 -5.780 1.00 0.00 C ATOM 111 C LYS A 7 -10.177 0.189 -5.335 1.00 0.00 C ATOM 112 O LYS A 7 -9.844 1.090 -6.115 1.00 0.00 O ATOM 113 CB LYS A 7 -12.530 -0.643 -5.364 1.00 0.00 C ATOM 114 CG LYS A 7 -13.453 -1.860 -5.387 1.00 0.00 C ATOM 115 CD LYS A 7 -13.441 -2.585 -6.714 1.00 0.00 C ATOM 116 CE LYS A 7 -14.258 -3.855 -6.636 1.00 0.00 C ATOM 117 NZ LYS A 7 -14.066 -4.695 -7.825 1.00 0.00 N ATOM 0 H LYS A 7 -11.176 -2.511 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.068 -1.024 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.527 -0.224 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.939 0.120 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.154 -2.551 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.471 -1.542 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.842 -1.936 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.415 -2.823 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.976 -4.415 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.314 -3.604 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.587 -5.587 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.421 -4.194 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.053 -4.899 -7.946 1.00 0.00 H new ATOM 131 N THR A 8 -9.750 0.098 -4.091 1.00 0.00 N ATOM 132 CA THR A 8 -8.839 1.043 -3.513 1.00 0.00 C ATOM 133 C THR A 8 -7.493 0.980 -4.256 1.00 0.00 C ATOM 134 O THR A 8 -6.970 2.008 -4.703 1.00 0.00 O ATOM 135 CB THR A 8 -8.652 0.747 -2.006 1.00 0.00 C ATOM 136 OG1 THR A 8 -9.946 0.697 -1.371 1.00 0.00 O ATOM 137 CG2 THR A 8 -7.813 1.828 -1.337 1.00 0.00 C ATOM 0 H THR A 8 -10.034 -0.645 -3.453 1.00 0.00 H new ATOM 0 HA THR A 8 -9.246 2.049 -3.613 1.00 0.00 H new ATOM 0 HB THR A 8 -8.137 -0.208 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.407 -0.127 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.697 1.596 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.831 1.871 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.309 2.792 -1.444 1.00 0.00 H new ATOM 145 N TYR A 9 -6.977 -0.243 -4.446 1.00 0.00 N ATOM 146 CA TYR A 9 -5.720 -0.456 -5.154 1.00 0.00 C ATOM 147 C TYR A 9 -5.736 0.166 -6.541 1.00 0.00 C ATOM 148 O TYR A 9 -4.849 0.928 -6.882 1.00 0.00 O ATOM 149 CB TYR A 9 -5.348 -1.960 -5.263 1.00 0.00 C ATOM 150 CG TYR A 9 -4.129 -2.196 -6.151 1.00 0.00 C ATOM 151 CD1 TYR A 9 -2.837 -2.037 -5.664 1.00 0.00 C ATOM 152 CD2 TYR A 9 -4.282 -2.528 -7.494 1.00 0.00 C ATOM 153 CE1 TYR A 9 -1.742 -2.195 -6.494 1.00 0.00 C ATOM 154 CE2 TYR A 9 -3.195 -2.697 -8.317 1.00 0.00 C ATOM 155 CZ TYR A 9 -1.932 -2.526 -7.819 1.00 0.00 C ATOM 156 OH TYR A 9 -0.853 -2.659 -8.658 1.00 0.00 O ATOM 0 H TYR A 9 -7.419 -1.100 -4.114 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.957 0.042 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.150 -2.355 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.198 -2.513 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.686 -1.787 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.276 -2.655 -7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.743 -2.060 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.337 -2.964 -9.354 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.819 -1.895 -9.271 1.00 0.00 H new ATOM 166 N LYS A 10 -6.759 -0.134 -7.329 1.00 0.00 N ATOM 167 CA LYS A 10 -6.794 0.342 -8.706 1.00 0.00 C ATOM 168 C LYS A 10 -6.919 1.851 -8.826 1.00 0.00 C ATOM 169 O LYS A 10 -6.597 2.427 -9.865 1.00 0.00 O ATOM 170 CB LYS A 10 -7.817 -0.390 -9.538 1.00 0.00 C ATOM 171 CG LYS A 10 -7.484 -1.859 -9.624 1.00 0.00 C ATOM 172 CD LYS A 10 -8.188 -2.564 -10.753 1.00 0.00 C ATOM 173 CE LYS A 10 -9.700 -2.490 -10.654 1.00 0.00 C ATOM 174 NZ LYS A 10 -10.207 -2.997 -9.363 1.00 0.00 N ATOM 0 H LYS A 10 -7.563 -0.695 -7.046 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.816 0.101 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.807 -0.262 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.853 0.039 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.407 -1.974 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.749 -2.340 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.871 -2.127 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.882 -3.610 -10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.019 -1.456 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.143 -3.066 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.244 -2.925 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.927 -3.992 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.807 -2.432 -8.587 1.00 0.00 H new ATOM 188 N TYR A 11 -7.362 2.493 -7.766 1.00 0.00 N ATOM 189 CA TYR A 11 -7.405 3.933 -7.736 1.00 0.00 C ATOM 190 C TYR A 11 -5.994 4.434 -7.483 1.00 0.00 C ATOM 191 O TYR A 11 -5.434 5.186 -8.269 1.00 0.00 O ATOM 192 CB TYR A 11 -8.321 4.427 -6.611 1.00 0.00 C ATOM 193 CG TYR A 11 -8.517 5.937 -6.584 1.00 0.00 C ATOM 194 CD1 TYR A 11 -9.471 6.552 -7.382 1.00 0.00 C ATOM 195 CD2 TYR A 11 -7.747 6.739 -5.752 1.00 0.00 C ATOM 196 CE1 TYR A 11 -9.651 7.923 -7.349 1.00 0.00 C ATOM 197 CE2 TYR A 11 -7.921 8.105 -5.711 1.00 0.00 C ATOM 198 CZ TYR A 11 -8.872 8.694 -6.507 1.00 0.00 C ATOM 199 OH TYR A 11 -9.045 10.062 -6.468 1.00 0.00 O ATOM 0 H TYR A 11 -7.696 2.038 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.794 4.307 -8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.294 3.947 -6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.907 4.108 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.082 5.951 -8.039 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.996 6.282 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.396 8.388 -7.977 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.312 8.710 -5.056 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.419 10.453 -5.823 1.00 0.00 H new ATOM 209 N ILE A 12 -5.413 3.934 -6.409 1.00 0.00 N ATOM 210 CA ILE A 12 -4.090 4.337 -5.919 1.00 0.00 C ATOM 211 C ILE A 12 -2.969 3.937 -6.893 1.00 0.00 C ATOM 212 O ILE A 12 -1.919 4.549 -6.931 1.00 0.00 O ATOM 213 CB ILE A 12 -3.871 3.762 -4.489 1.00 0.00 C ATOM 214 CG1 ILE A 12 -5.015 4.243 -3.564 1.00 0.00 C ATOM 215 CG2 ILE A 12 -2.510 4.155 -3.914 1.00 0.00 C ATOM 216 CD1 ILE A 12 -5.064 5.750 -3.358 1.00 0.00 C ATOM 0 H ILE A 12 -5.852 3.217 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.051 5.425 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.883 2.674 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.967 3.914 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.909 3.759 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.401 3.732 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.719 3.773 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.439 5.241 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.894 6.000 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.129 6.086 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.203 6.244 -4.319 1.00 0.00 H new ATOM 228 N CYS A 13 -3.235 2.953 -7.717 1.00 0.00 N ATOM 229 CA CYS A 13 -2.296 2.523 -8.737 1.00 0.00 C ATOM 230 C CYS A 13 -2.139 3.630 -9.805 1.00 0.00 C ATOM 231 O CYS A 13 -1.131 3.698 -10.501 1.00 0.00 O ATOM 232 CB CYS A 13 -2.792 1.217 -9.374 1.00 0.00 C ATOM 233 SG CYS A 13 -1.583 0.356 -10.415 1.00 0.00 S ATOM 0 H CYS A 13 -4.107 2.424 -7.703 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.321 2.342 -8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.109 0.542 -8.579 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.674 1.437 -9.976 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.116 -0.729 -10.893 1.00 0.00 H new ATOM 239 N ARG A 14 -3.143 4.500 -9.909 1.00 0.00 N ATOM 240 CA ARG A 14 -3.098 5.632 -10.845 1.00 0.00 C ATOM 241 C ARG A 14 -2.228 6.724 -10.266 1.00 0.00 C ATOM 242 O ARG A 14 -1.325 7.240 -10.914 1.00 0.00 O ATOM 243 CB ARG A 14 -4.492 6.213 -11.089 1.00 0.00 C ATOM 244 CG ARG A 14 -5.481 5.246 -11.680 1.00 0.00 C ATOM 245 CD ARG A 14 -6.850 5.890 -11.879 1.00 0.00 C ATOM 246 NE ARG A 14 -6.792 7.156 -12.644 1.00 0.00 N ATOM 247 CZ ARG A 14 -7.790 7.644 -13.409 1.00 0.00 C ATOM 248 NH1 ARG A 14 -8.866 6.902 -13.672 1.00 0.00 N ATOM 249 NH2 ARG A 14 -7.692 8.867 -13.929 1.00 0.00 N ATOM 0 H ARG A 14 -4.000 4.446 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.696 5.267 -11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.887 6.583 -10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.402 7.072 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.107 4.883 -12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.578 4.379 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.503 5.188 -12.399 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.299 6.082 -10.905 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.932 7.701 -12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.939 5.958 -13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.616 7.279 -14.251 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.863 9.433 -13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.446 9.237 -14.508 1.00 0.00 H new ATOM 263 N ASN A 15 -2.477 7.025 -9.013 1.00 0.00 N ATOM 264 CA ASN A 15 -1.770 8.083 -8.294 1.00 0.00 C ATOM 265 C ASN A 15 -0.525 7.556 -7.636 1.00 0.00 C ATOM 266 O ASN A 15 0.048 8.195 -6.761 1.00 0.00 O ATOM 267 CB ASN A 15 -2.673 8.763 -7.264 1.00 0.00 C ATOM 268 CG ASN A 15 -3.334 7.795 -6.333 1.00 0.00 C ATOM 269 OD1 ASN A 15 -2.803 7.434 -5.314 1.00 0.00 O ATOM 270 ND2 ASN A 15 -4.507 7.365 -6.691 1.00 0.00 N ATOM 0 H ASN A 15 -3.180 6.544 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.477 8.832 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.082 9.471 -6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.439 9.338 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.008 6.700 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.927 7.692 -7.561 1.00 0.00 H new ATOM 277 N PHE A 16 -0.085 6.410 -8.110 1.00 0.00 N ATOM 278 CA PHE A 16 1.149 5.773 -7.678 1.00 0.00 C ATOM 279 C PHE A 16 2.329 6.742 -7.785 1.00 0.00 C ATOM 280 O PHE A 16 3.252 6.674 -6.996 1.00 0.00 O ATOM 281 CB PHE A 16 1.400 4.486 -8.492 1.00 0.00 C ATOM 282 CG PHE A 16 2.737 3.830 -8.251 1.00 0.00 C ATOM 283 CD1 PHE A 16 3.009 3.196 -7.055 1.00 0.00 C ATOM 284 CD2 PHE A 16 3.719 3.852 -9.231 1.00 0.00 C ATOM 285 CE1 PHE A 16 4.236 2.602 -6.838 1.00 0.00 C ATOM 286 CE2 PHE A 16 4.943 3.259 -9.018 1.00 0.00 C ATOM 287 CZ PHE A 16 5.203 2.635 -7.821 1.00 0.00 C ATOM 0 H PHE A 16 -0.585 5.880 -8.824 1.00 0.00 H new ATOM 0 HA PHE A 16 1.049 5.495 -6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.613 3.768 -8.260 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.314 4.722 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.255 3.165 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.520 4.341 -10.173 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.439 2.111 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.698 3.284 -9.790 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.163 2.171 -7.650 1.00 0.00 H new ATOM 297 N SER A 17 2.262 7.665 -8.739 1.00 0.00 N ATOM 298 CA SER A 17 3.270 8.704 -8.910 1.00 0.00 C ATOM 299 C SER A 17 3.397 9.572 -7.629 1.00 0.00 C ATOM 300 O SER A 17 4.490 10.011 -7.259 1.00 0.00 O ATOM 301 CB SER A 17 2.881 9.566 -10.097 1.00 0.00 C ATOM 302 OG SER A 17 2.618 8.756 -11.236 1.00 0.00 O ATOM 0 H SER A 17 1.503 7.713 -9.418 1.00 0.00 H new ATOM 0 HA SER A 17 4.240 8.240 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.998 10.156 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.683 10.270 -10.321 1.00 0.00 H new ATOM 0 HG SER A 17 2.367 9.327 -11.992 1.00 0.00 H new ATOM 308 N ASN A 18 2.285 9.755 -6.924 1.00 0.00 N ATOM 309 CA ASN A 18 2.264 10.519 -5.673 1.00 0.00 C ATOM 310 C ASN A 18 2.970 9.720 -4.608 1.00 0.00 C ATOM 311 O ASN A 18 3.665 10.255 -3.757 1.00 0.00 O ATOM 312 CB ASN A 18 0.820 10.812 -5.209 1.00 0.00 C ATOM 313 CG ASN A 18 0.045 11.693 -6.151 1.00 0.00 C ATOM 314 OD1 ASN A 18 -1.255 11.544 -6.153 1.00 0.00 O flip ATOM 315 ND2 ASN A 18 0.617 12.531 -6.861 1.00 0.00 N flip ATOM 0 H ASN A 18 1.376 9.382 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 18 2.764 11.472 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.288 9.868 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.853 11.286 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.633 12.617 -6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.072 13.136 -7.476 1.00 0.00 H new ATOM 322 N PHE A 19 2.845 8.430 -4.714 1.00 0.00 N ATOM 323 CA PHE A 19 3.439 7.513 -3.785 1.00 0.00 C ATOM 324 C PHE A 19 4.833 7.102 -4.216 1.00 0.00 C ATOM 325 O PHE A 19 5.382 6.196 -3.667 1.00 0.00 O ATOM 326 CB PHE A 19 2.556 6.276 -3.607 1.00 0.00 C ATOM 327 CG PHE A 19 1.276 6.544 -2.874 1.00 0.00 C ATOM 328 CD1 PHE A 19 0.170 7.050 -3.532 1.00 0.00 C ATOM 329 CD2 PHE A 19 1.184 6.292 -1.516 1.00 0.00 C ATOM 330 CE1 PHE A 19 -0.999 7.298 -2.849 1.00 0.00 C ATOM 331 CE2 PHE A 19 0.014 6.539 -0.832 1.00 0.00 C ATOM 332 CZ PHE A 19 -1.078 7.042 -1.501 1.00 0.00 C ATOM 0 H PHE A 19 2.318 7.977 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 19 3.523 8.029 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.322 5.865 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.119 5.514 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.224 7.252 -4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.039 5.897 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.856 7.695 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.046 6.338 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.997 7.236 -0.967 1.00 0.00 H new ATOM 342 N CYS A 20 5.408 7.787 -5.202 1.00 0.00 N ATOM 343 CA CYS A 20 6.766 7.491 -5.629 1.00 0.00 C ATOM 344 C CYS A 20 7.778 8.336 -4.869 1.00 0.00 C ATOM 345 O CYS A 20 8.979 8.323 -5.162 1.00 0.00 O ATOM 346 CB CYS A 20 6.920 7.686 -7.122 1.00 0.00 C ATOM 347 SG CYS A 20 5.939 6.554 -8.108 1.00 0.00 S ATOM 0 H CYS A 20 4.956 8.544 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 20 6.963 6.444 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.641 8.709 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.970 7.567 -7.388 1.00 0.00 H new ATOM 0 HG CYS A 20 4.870 6.219 -7.449 1.00 0.00 H new ATOM 353 N ASN A 21 7.293 9.060 -3.905 1.00 0.00 N ATOM 354 CA ASN A 21 8.125 9.832 -3.034 1.00 0.00 C ATOM 355 C ASN A 21 7.608 9.647 -1.643 1.00 0.00 C ATOM 356 O ASN A 21 6.810 10.441 -1.129 1.00 0.00 O ATOM 357 CB ASN A 21 8.190 11.313 -3.442 1.00 0.00 C ATOM 358 CG ASN A 21 9.115 12.138 -2.554 1.00 0.00 C ATOM 359 OD1 ASN A 21 8.686 12.748 -1.582 1.00 0.00 O ATOM 360 ND2 ASN A 21 10.379 12.151 -2.873 1.00 0.00 N ATOM 0 H ASN A 21 6.296 9.131 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 21 9.155 9.483 -3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.529 11.384 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.187 11.738 -3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.042 12.680 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.704 11.632 -3.689 1.00 0.00 H new ATOM 367 N VAL A 22 7.955 8.524 -1.095 1.00 0.00 N ATOM 368 CA VAL A 22 7.518 8.133 0.199 1.00 0.00 C ATOM 369 C VAL A 22 8.518 7.115 0.704 1.00 0.00 C ATOM 370 O VAL A 22 9.262 6.543 -0.104 1.00 0.00 O ATOM 371 CB VAL A 22 6.067 7.529 0.122 1.00 0.00 C ATOM 372 CG1 VAL A 22 6.001 6.174 -0.494 1.00 0.00 C ATOM 373 CG2 VAL A 22 5.350 7.572 1.431 1.00 0.00 C ATOM 0 H VAL A 22 8.563 7.842 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 22 7.468 8.983 0.880 1.00 0.00 H new ATOM 0 HB VAL A 22 5.536 8.192 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.967 5.831 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.383 6.219 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.605 5.479 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.355 7.142 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.909 6.999 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.262 8.606 1.764 1.00 0.00 H new ATOM 383 N ASP A 23 8.582 6.908 1.993 1.00 0.00 N ATOM 384 CA ASP A 23 9.547 5.974 2.524 1.00 0.00 C ATOM 385 C ASP A 23 8.965 4.582 2.489 1.00 0.00 C ATOM 386 O ASP A 23 7.801 4.413 2.738 1.00 0.00 O ATOM 387 CB ASP A 23 9.945 6.312 3.950 1.00 0.00 C ATOM 388 CG ASP A 23 11.170 5.550 4.332 1.00 0.00 C ATOM 389 OD1 ASP A 23 11.053 4.439 4.830 1.00 0.00 O ATOM 390 OD2 ASP A 23 12.289 6.045 4.072 1.00 0.00 O ATOM 0 H ASP A 23 7.989 7.364 2.687 1.00 0.00 H new ATOM 0 HA ASP A 23 10.442 6.034 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.129 7.382 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.129 6.070 4.631 1.00 0.00 H new ATOM 395 N VAL A 24 9.767 3.604 2.188 1.00 0.00 N ATOM 396 CA VAL A 24 9.285 2.236 2.073 1.00 0.00 C ATOM 397 C VAL A 24 9.454 1.485 3.391 1.00 0.00 C ATOM 398 O VAL A 24 8.590 0.707 3.804 1.00 0.00 O ATOM 399 CB VAL A 24 10.079 1.480 0.980 1.00 0.00 C ATOM 400 CG1 VAL A 24 9.529 0.091 0.760 1.00 0.00 C ATOM 401 CG2 VAL A 24 10.058 2.242 -0.308 1.00 0.00 C ATOM 0 H VAL A 24 10.766 3.717 2.014 1.00 0.00 H new ATOM 0 HA VAL A 24 8.228 2.280 1.811 1.00 0.00 H new ATOM 0 HB VAL A 24 11.108 1.390 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.109 -0.412 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.593 -0.477 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.487 0.158 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.621 1.695 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.028 2.365 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.510 3.223 -0.158 1.00 0.00 H new ATOM 411 N VAL A 25 10.507 1.794 4.086 1.00 0.00 N ATOM 412 CA VAL A 25 10.910 0.997 5.227 1.00 0.00 C ATOM 413 C VAL A 25 10.281 1.458 6.517 1.00 0.00 C ATOM 414 O VAL A 25 10.039 0.659 7.411 1.00 0.00 O ATOM 415 CB VAL A 25 12.448 0.842 5.361 1.00 0.00 C ATOM 416 CG1 VAL A 25 13.004 0.040 4.185 1.00 0.00 C ATOM 417 CG2 VAL A 25 13.152 2.187 5.452 1.00 0.00 C ATOM 0 H VAL A 25 11.110 2.593 3.890 1.00 0.00 H new ATOM 0 HA VAL A 25 10.520 -0.000 5.023 1.00 0.00 H new ATOM 0 HB VAL A 25 12.640 0.306 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.084 -0.061 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.547 -0.949 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.778 0.558 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.227 2.030 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.946 2.767 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.788 2.730 6.324 1.00 0.00 H new ATOM 427 N GLU A 26 9.990 2.735 6.597 1.00 0.00 N ATOM 428 CA GLU A 26 9.304 3.316 7.711 1.00 0.00 C ATOM 429 C GLU A 26 7.846 2.845 7.767 1.00 0.00 C ATOM 430 O GLU A 26 7.223 2.853 8.823 1.00 0.00 O ATOM 431 CB GLU A 26 9.368 4.829 7.594 1.00 0.00 C ATOM 432 CG GLU A 26 10.757 5.423 7.770 1.00 0.00 C ATOM 433 CD GLU A 26 11.422 4.987 9.041 1.00 0.00 C ATOM 434 OE1 GLU A 26 10.859 5.208 10.120 1.00 0.00 O ATOM 435 OE2 GLU A 26 12.548 4.436 8.982 1.00 0.00 O ATOM 0 H GLU A 26 10.232 3.408 5.870 1.00 0.00 H new ATOM 0 HA GLU A 26 9.788 2.997 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.985 5.121 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.704 5.266 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.380 5.135 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.686 6.511 7.758 1.00 0.00 H new ATOM 442 N ILE A 27 7.338 2.438 6.623 1.00 0.00 N ATOM 443 CA ILE A 27 5.969 1.942 6.452 1.00 0.00 C ATOM 444 C ILE A 27 5.865 0.462 6.818 1.00 0.00 C ATOM 445 O ILE A 27 4.877 0.040 7.385 1.00 0.00 O ATOM 446 CB ILE A 27 5.521 2.188 4.972 1.00 0.00 C ATOM 447 CG1 ILE A 27 5.230 3.679 4.737 1.00 0.00 C ATOM 448 CG2 ILE A 27 4.358 1.301 4.520 1.00 0.00 C ATOM 449 CD1 ILE A 27 4.874 4.014 3.309 1.00 0.00 C ATOM 0 H ILE A 27 7.874 2.439 5.755 1.00 0.00 H new ATOM 0 HA ILE A 27 5.306 2.484 7.126 1.00 0.00 H new ATOM 0 HB ILE A 27 6.360 1.892 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.411 3.986 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.104 4.260 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.106 1.531 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.648 0.253 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.491 1.487 5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.683 5.084 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.701 3.739 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.981 3.461 3.017 1.00 0.00 H new ATOM 461 N LEU A 28 6.907 -0.292 6.542 1.00 0.00 N ATOM 462 CA LEU A 28 6.919 -1.754 6.767 1.00 0.00 C ATOM 463 C LEU A 28 6.427 -2.204 8.183 1.00 0.00 C ATOM 464 O LEU A 28 5.512 -3.022 8.264 1.00 0.00 O ATOM 465 CB LEU A 28 8.294 -2.345 6.445 1.00 0.00 C ATOM 466 CG LEU A 28 8.776 -2.183 5.007 1.00 0.00 C ATOM 467 CD1 LEU A 28 10.180 -2.732 4.849 1.00 0.00 C ATOM 468 CD2 LEU A 28 7.828 -2.874 4.048 1.00 0.00 C ATOM 0 H LEU A 28 7.777 0.073 6.155 1.00 0.00 H new ATOM 0 HA LEU A 28 6.182 -2.157 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.028 -1.885 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.274 -3.409 6.682 1.00 0.00 H new ATOM 0 HG LEU A 28 8.794 -1.119 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.505 -2.607 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.858 -2.193 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.188 -3.791 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.188 -2.748 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.779 -3.936 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.834 -2.435 4.139 1.00 0.00 H new ATOM 480 N PRO A 29 6.985 -1.662 9.323 1.00 0.00 N ATOM 481 CA PRO A 29 6.557 -2.071 10.684 1.00 0.00 C ATOM 482 C PRO A 29 5.089 -1.704 10.984 1.00 0.00 C ATOM 483 O PRO A 29 4.465 -2.258 11.902 1.00 0.00 O ATOM 484 CB PRO A 29 7.505 -1.294 11.612 1.00 0.00 C ATOM 485 CG PRO A 29 7.983 -0.147 10.796 1.00 0.00 C ATOM 486 CD PRO A 29 8.072 -0.658 9.393 1.00 0.00 C ATOM 0 HA PRO A 29 6.606 -3.153 10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.988 -0.953 12.509 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.336 -1.918 11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.294 0.695 10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.953 0.206 11.147 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.929 0.140 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.045 -1.105 9.189 1.00 0.00 H new ATOM 494 N TYR A 30 4.554 -0.801 10.186 1.00 0.00 N ATOM 495 CA TYR A 30 3.190 -0.316 10.305 1.00 0.00 C ATOM 496 C TYR A 30 2.190 -1.295 9.688 1.00 0.00 C ATOM 497 O TYR A 30 0.978 -1.212 9.947 1.00 0.00 O ATOM 498 CB TYR A 30 3.078 1.067 9.634 1.00 0.00 C ATOM 499 CG TYR A 30 3.436 2.233 10.511 1.00 0.00 C ATOM 500 CD1 TYR A 30 4.751 2.615 10.701 1.00 0.00 C ATOM 501 CD2 TYR A 30 2.445 2.961 11.147 1.00 0.00 C ATOM 502 CE1 TYR A 30 5.070 3.691 11.503 1.00 0.00 C ATOM 503 CE2 TYR A 30 2.750 4.036 11.945 1.00 0.00 C ATOM 504 CZ TYR A 30 4.067 4.399 12.123 1.00 0.00 C ATOM 505 OH TYR A 30 4.382 5.485 12.924 1.00 0.00 O ATOM 0 H TYR A 30 5.068 -0.372 9.416 1.00 0.00 H new ATOM 0 HA TYR A 30 2.946 -0.228 11.364 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.724 1.081 8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.056 1.200 9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.541 2.062 10.214 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.411 2.678 11.013 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.102 3.976 11.643 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.962 4.593 12.430 1.00 0.00 H new ATOM 0 HH TYR A 30 3.559 5.875 13.286 1.00 0.00 H new ATOM 515 N LEU A 31 2.690 -2.212 8.875 1.00 0.00 N ATOM 516 CA LEU A 31 1.861 -3.188 8.201 1.00 0.00 C ATOM 517 C LEU A 31 2.163 -4.614 8.683 1.00 0.00 C ATOM 518 O LEU A 31 2.957 -5.328 8.068 1.00 0.00 O ATOM 519 CB LEU A 31 2.029 -3.116 6.662 1.00 0.00 C ATOM 520 CG LEU A 31 1.432 -1.905 5.896 1.00 0.00 C ATOM 521 CD1 LEU A 31 1.996 -0.592 6.346 1.00 0.00 C ATOM 522 CD2 LEU A 31 1.653 -2.066 4.412 1.00 0.00 C ATOM 0 H LEU A 31 3.685 -2.297 8.666 1.00 0.00 H new ATOM 0 HA LEU A 31 0.829 -2.944 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.097 -3.148 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.591 -4.021 6.240 1.00 0.00 H new ATOM 0 HG LEU A 31 0.365 -1.893 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.540 0.215 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.785 -0.450 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.074 -0.585 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.230 -1.210 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.722 -2.125 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.167 -2.979 4.069 1.00 0.00 H new ATOM 534 N PRO A 32 1.521 -5.071 9.785 1.00 0.00 N ATOM 535 CA PRO A 32 1.730 -6.429 10.331 1.00 0.00 C ATOM 536 C PRO A 32 1.015 -7.491 9.488 1.00 0.00 C ATOM 537 O PRO A 32 1.045 -8.689 9.791 1.00 0.00 O ATOM 538 CB PRO A 32 1.097 -6.360 11.736 1.00 0.00 C ATOM 539 CG PRO A 32 0.792 -4.914 11.967 1.00 0.00 C ATOM 540 CD PRO A 32 0.580 -4.315 10.612 1.00 0.00 C ATOM 0 HA PRO A 32 2.783 -6.709 10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.192 -6.965 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.781 -6.743 12.494 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.096 -4.797 12.588 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.613 -4.421 12.488 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.448 -4.435 10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.797 -3.247 10.601 1.00 0.00 H new ATOM 548 N CYS A 33 0.368 -7.038 8.437 1.00 0.00 N ATOM 549 CA CYS A 33 -0.350 -7.903 7.538 1.00 0.00 C ATOM 550 C CYS A 33 0.646 -8.564 6.573 1.00 0.00 C ATOM 551 O CYS A 33 0.388 -9.624 6.013 1.00 0.00 O ATOM 552 CB CYS A 33 -1.403 -7.091 6.781 1.00 0.00 C ATOM 553 SG CYS A 33 -2.565 -8.061 5.802 1.00 0.00 S ATOM 0 H CYS A 33 0.327 -6.051 8.184 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.863 -8.687 8.095 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.967 -6.497 7.501 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.892 -6.391 6.120 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.523 -7.291 5.377 1.00 0.00 H new ATOM 559 N LEU A 34 1.795 -7.944 6.405 1.00 0.00 N ATOM 560 CA LEU A 34 2.816 -8.499 5.577 1.00 0.00 C ATOM 561 C LEU A 34 3.842 -9.165 6.429 1.00 0.00 C ATOM 562 O LEU A 34 4.317 -8.580 7.413 1.00 0.00 O ATOM 563 CB LEU A 34 3.460 -7.469 4.666 1.00 0.00 C ATOM 564 CG LEU A 34 2.567 -6.944 3.549 1.00 0.00 C ATOM 565 CD1 LEU A 34 1.630 -5.845 4.013 1.00 0.00 C ATOM 566 CD2 LEU A 34 3.391 -6.534 2.371 1.00 0.00 C ATOM 0 H LEU A 34 2.035 -7.052 6.838 1.00 0.00 H new ATOM 0 HA LEU A 34 2.346 -9.234 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.789 -6.626 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.352 -7.909 4.220 1.00 0.00 H new ATOM 0 HG LEU A 34 1.918 -7.761 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.019 -5.510 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.984 -6.227 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.213 -5.007 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.738 -6.161 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.085 -5.748 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.952 -7.393 2.002 1.00 0.00 H new ATOM 578 N THR A 35 4.143 -10.382 6.081 1.00 0.00 N ATOM 579 CA THR A 35 5.075 -11.231 6.786 1.00 0.00 C ATOM 580 C THR A 35 6.501 -10.619 6.846 1.00 0.00 C ATOM 581 O THR A 35 6.825 -9.667 6.099 1.00 0.00 O ATOM 582 CB THR A 35 5.131 -12.555 6.043 1.00 0.00 C ATOM 583 OG1 THR A 35 4.011 -12.612 5.131 1.00 0.00 O ATOM 584 CG2 THR A 35 5.035 -13.714 6.998 1.00 0.00 C ATOM 0 H THR A 35 3.732 -10.834 5.265 1.00 0.00 H new ATOM 0 HA THR A 35 4.735 -11.352 7.815 1.00 0.00 H new ATOM 0 HB THR A 35 6.079 -12.622 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.340 -12.742 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.078 -14.650 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.865 -13.674 7.703 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.093 -13.659 7.543 1.00 0.00 H new ATOM 592 N ALA A 36 7.346 -11.186 7.706 1.00 0.00 N ATOM 593 CA ALA A 36 8.702 -10.702 7.911 1.00 0.00 C ATOM 594 C ALA A 36 9.500 -10.692 6.623 1.00 0.00 C ATOM 595 O ALA A 36 10.108 -9.685 6.290 1.00 0.00 O ATOM 596 CB ALA A 36 9.423 -11.526 8.967 1.00 0.00 C ATOM 0 H ALA A 36 7.105 -11.995 8.279 1.00 0.00 H new ATOM 0 HA ALA A 36 8.621 -9.673 8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.435 -11.142 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.883 -11.460 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.469 -12.567 8.647 1.00 0.00 H new ATOM 602 N ARG A 37 9.463 -11.794 5.884 1.00 0.00 N ATOM 603 CA ARG A 37 10.215 -11.911 4.640 1.00 0.00 C ATOM 604 C ARG A 37 9.660 -10.972 3.566 1.00 0.00 C ATOM 605 O ARG A 37 10.408 -10.487 2.726 1.00 0.00 O ATOM 606 CB ARG A 37 10.247 -13.359 4.136 1.00 0.00 C ATOM 607 CG ARG A 37 11.139 -13.588 2.909 1.00 0.00 C ATOM 608 CD ARG A 37 12.610 -13.271 3.198 1.00 0.00 C ATOM 609 NE ARG A 37 13.183 -14.153 4.222 1.00 0.00 N ATOM 610 CZ ARG A 37 14.344 -13.942 4.867 1.00 0.00 C ATOM 611 NH1 ARG A 37 15.042 -12.821 4.678 1.00 0.00 N ATOM 612 NH2 ARG A 37 14.787 -14.846 5.725 1.00 0.00 N ATOM 0 H ARG A 37 8.919 -12.622 6.125 1.00 0.00 H new ATOM 0 HA ARG A 37 11.241 -11.611 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.591 -14.004 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.230 -13.668 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.049 -14.625 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.789 -12.965 2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.186 -13.365 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.698 -12.235 3.525 1.00 0.00 H new ATOM 0 HE ARG A 37 12.658 -14.994 4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.697 -12.107 4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.921 -12.677 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.249 -15.696 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.667 -14.693 6.218 1.00 0.00 H new ATOM 626 N ASP A 38 8.361 -10.698 3.619 1.00 0.00 N ATOM 627 CA ASP A 38 7.723 -9.761 2.677 1.00 0.00 C ATOM 628 C ASP A 38 8.304 -8.385 2.863 1.00 0.00 C ATOM 629 O ASP A 38 8.735 -7.737 1.900 1.00 0.00 O ATOM 630 CB ASP A 38 6.200 -9.700 2.871 1.00 0.00 C ATOM 631 CG ASP A 38 5.482 -10.931 2.412 1.00 0.00 C ATOM 632 OD1 ASP A 38 5.483 -11.924 3.133 1.00 0.00 O ATOM 633 OD2 ASP A 38 4.871 -10.919 1.333 1.00 0.00 O ATOM 0 H ASP A 38 7.722 -11.107 4.301 1.00 0.00 H new ATOM 0 HA ASP A 38 7.919 -10.122 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.984 -9.537 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.808 -8.839 2.329 1.00 0.00 H new ATOM 638 N GLN A 39 8.351 -7.959 4.115 1.00 0.00 N ATOM 639 CA GLN A 39 8.928 -6.675 4.483 1.00 0.00 C ATOM 640 C GLN A 39 10.431 -6.678 4.209 1.00 0.00 C ATOM 641 O GLN A 39 10.988 -5.702 3.724 1.00 0.00 O ATOM 642 CB GLN A 39 8.680 -6.384 5.962 1.00 0.00 C ATOM 643 CG GLN A 39 7.219 -6.222 6.346 1.00 0.00 C ATOM 644 CD GLN A 39 7.049 -5.962 7.827 1.00 0.00 C ATOM 645 OE1 GLN A 39 7.935 -5.379 8.481 1.00 0.00 O ATOM 646 NE2 GLN A 39 5.946 -6.391 8.376 1.00 0.00 N ATOM 0 H GLN A 39 7.990 -8.493 4.905 1.00 0.00 H new ATOM 0 HA GLN A 39 8.453 -5.899 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.108 -7.193 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.215 -5.474 6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.785 -5.397 5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.669 -7.122 6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.244 -6.864 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.786 -6.253 9.374 1.00 0.00 H new ATOM 655 N ASP A 40 11.054 -7.801 4.496 1.00 0.00 N ATOM 656 CA ASP A 40 12.495 -8.004 4.316 1.00 0.00 C ATOM 657 C ASP A 40 12.894 -7.821 2.866 1.00 0.00 C ATOM 658 O ASP A 40 13.830 -7.097 2.568 1.00 0.00 O ATOM 659 CB ASP A 40 12.877 -9.397 4.774 1.00 0.00 C ATOM 660 CG ASP A 40 14.350 -9.679 4.686 1.00 0.00 C ATOM 661 OD1 ASP A 40 15.087 -9.350 5.639 1.00 0.00 O ATOM 662 OD2 ASP A 40 14.787 -10.292 3.696 1.00 0.00 O ATOM 0 H ASP A 40 10.574 -8.620 4.868 1.00 0.00 H new ATOM 0 HA ASP A 40 13.021 -7.261 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.551 -9.533 5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.339 -10.128 4.171 1.00 0.00 H new ATOM 667 N ARG A 41 12.149 -8.467 1.977 1.00 0.00 N ATOM 668 CA ARG A 41 12.343 -8.367 0.542 1.00 0.00 C ATOM 669 C ARG A 41 12.266 -6.907 0.091 1.00 0.00 C ATOM 670 O ARG A 41 13.076 -6.453 -0.717 1.00 0.00 O ATOM 671 CB ARG A 41 11.274 -9.227 -0.147 1.00 0.00 C ATOM 672 CG ARG A 41 11.156 -9.095 -1.654 1.00 0.00 C ATOM 673 CD ARG A 41 12.430 -9.457 -2.409 1.00 0.00 C ATOM 674 NE ARG A 41 12.228 -9.300 -3.862 1.00 0.00 N ATOM 675 CZ ARG A 41 13.100 -8.738 -4.717 1.00 0.00 C ATOM 676 NH1 ARG A 41 14.346 -8.470 -4.333 1.00 0.00 N ATOM 677 NH2 ARG A 41 12.734 -8.509 -5.984 1.00 0.00 N ATOM 0 H ARG A 41 11.381 -9.084 2.241 1.00 0.00 H new ATOM 0 HA ARG A 41 13.332 -8.732 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.476 -10.272 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.307 -8.983 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.345 -9.735 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.880 -8.069 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.250 -8.820 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.714 -10.485 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 41 11.352 -9.648 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.646 -8.691 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.001 -8.044 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.797 -8.761 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.393 -8.083 -6.636 1.00 0.00 H new ATOM 691 N LEU A 42 11.323 -6.180 0.646 1.00 0.00 N ATOM 692 CA LEU A 42 11.156 -4.775 0.344 1.00 0.00 C ATOM 693 C LEU A 42 12.334 -3.969 0.878 1.00 0.00 C ATOM 694 O LEU A 42 12.954 -3.225 0.141 1.00 0.00 O ATOM 695 CB LEU A 42 9.822 -4.280 0.897 1.00 0.00 C ATOM 696 CG LEU A 42 8.594 -4.905 0.230 1.00 0.00 C ATOM 697 CD1 LEU A 42 7.334 -4.585 0.994 1.00 0.00 C ATOM 698 CD2 LEU A 42 8.468 -4.411 -1.196 1.00 0.00 C ATOM 0 H LEU A 42 10.650 -6.545 1.320 1.00 0.00 H new ATOM 0 HA LEU A 42 11.139 -4.637 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.786 -4.488 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.773 -3.197 0.781 1.00 0.00 H new ATOM 0 HG LEU A 42 8.727 -5.987 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.480 -5.043 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.414 -4.976 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.196 -3.504 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.591 -4.862 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.362 -3.326 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.360 -4.689 -1.758 1.00 0.00 H new ATOM 710 N ARG A 43 12.668 -4.180 2.139 1.00 0.00 N ATOM 711 CA ARG A 43 13.800 -3.515 2.780 1.00 0.00 C ATOM 712 C ARG A 43 15.102 -3.765 1.999 1.00 0.00 C ATOM 713 O ARG A 43 15.909 -2.859 1.800 1.00 0.00 O ATOM 714 CB ARG A 43 13.973 -4.035 4.204 1.00 0.00 C ATOM 715 CG ARG A 43 15.159 -3.427 4.920 1.00 0.00 C ATOM 716 CD ARG A 43 15.442 -4.124 6.227 1.00 0.00 C ATOM 717 NE ARG A 43 15.682 -5.569 6.036 1.00 0.00 N ATOM 718 CZ ARG A 43 16.879 -6.152 5.827 1.00 0.00 C ATOM 719 NH1 ARG A 43 17.969 -5.410 5.612 1.00 0.00 N ATOM 720 NH2 ARG A 43 16.965 -7.469 5.778 1.00 0.00 N ATOM 0 H ARG A 43 12.163 -4.819 2.753 1.00 0.00 H new ATOM 0 HA ARG A 43 13.594 -2.445 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.067 -3.826 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.089 -5.118 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.039 -3.485 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.969 -2.370 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.313 -3.670 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.600 -3.982 6.905 1.00 0.00 H new ATOM 0 HE ARG A 43 14.867 -6.182 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.900 -4.392 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.870 -5.861 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.128 -8.040 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.868 -7.916 5.620 1.00 0.00 H new ATOM 734 N ALA A 44 15.277 -4.992 1.561 1.00 0.00 N ATOM 735 CA ALA A 44 16.455 -5.395 0.833 1.00 0.00 C ATOM 736 C ALA A 44 16.526 -4.746 -0.550 1.00 0.00 C ATOM 737 O ALA A 44 17.598 -4.344 -0.998 1.00 0.00 O ATOM 738 CB ALA A 44 16.519 -6.909 0.722 1.00 0.00 C ATOM 0 H ALA A 44 14.600 -5.742 1.702 1.00 0.00 H new ATOM 0 HA ALA A 44 17.321 -5.047 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.414 -7.196 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.553 -7.346 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.636 -7.273 0.196 1.00 0.00 H new ATOM 744 N THR A 45 15.394 -4.627 -1.208 1.00 0.00 N ATOM 745 CA THR A 45 15.346 -4.037 -2.537 1.00 0.00 C ATOM 746 C THR A 45 15.496 -2.515 -2.450 1.00 0.00 C ATOM 747 O THR A 45 16.074 -1.883 -3.340 1.00 0.00 O ATOM 748 CB THR A 45 14.007 -4.388 -3.231 1.00 0.00 C ATOM 749 OG1 THR A 45 13.816 -5.804 -3.185 1.00 0.00 O ATOM 750 CG2 THR A 45 13.998 -3.939 -4.688 1.00 0.00 C ATOM 0 H THR A 45 14.489 -4.930 -0.847 1.00 0.00 H new ATOM 0 HA THR A 45 16.170 -4.443 -3.123 1.00 0.00 H new ATOM 0 HB THR A 45 13.205 -3.869 -2.706 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.281 -6.036 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.043 -4.201 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.139 -2.859 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.806 -4.435 -5.227 1.00 0.00 H new ATOM 758 N CYS A 46 15.030 -1.962 -1.350 1.00 0.00 N ATOM 759 CA CYS A 46 14.993 -0.534 -1.117 1.00 0.00 C ATOM 760 C CYS A 46 16.395 0.075 -1.187 1.00 0.00 C ATOM 761 O CYS A 46 16.613 1.085 -1.854 1.00 0.00 O ATOM 762 CB CYS A 46 14.354 -0.285 0.239 1.00 0.00 C ATOM 763 SG CYS A 46 13.769 1.394 0.521 1.00 0.00 S ATOM 0 H CYS A 46 14.657 -2.508 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 46 14.401 -0.052 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.513 -0.969 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.079 -0.534 1.014 1.00 0.00 H new ATOM 0 HG CYS A 46 14.037 1.748 1.743 1.00 0.00 H new ATOM 769 N THR A 47 17.336 -0.561 -0.543 1.00 0.00 N ATOM 770 CA THR A 47 18.691 -0.108 -0.537 1.00 0.00 C ATOM 771 C THR A 47 19.388 -0.377 -1.886 1.00 0.00 C ATOM 772 O THR A 47 20.201 0.432 -2.370 1.00 0.00 O ATOM 773 CB THR A 47 19.438 -0.816 0.595 1.00 0.00 C ATOM 774 OG1 THR A 47 19.186 -2.231 0.532 1.00 0.00 O ATOM 775 CG2 THR A 47 18.999 -0.291 1.941 1.00 0.00 C ATOM 0 H THR A 47 17.178 -1.413 -0.006 1.00 0.00 H new ATOM 0 HA THR A 47 18.700 0.971 -0.380 1.00 0.00 H new ATOM 0 HB THR A 47 20.504 -0.623 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.667 -2.682 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.544 -0.810 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.206 0.778 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.930 -0.461 2.067 1.00 0.00 H new ATOM 783 N LEU A 48 19.031 -1.485 -2.493 1.00 0.00 N ATOM 784 CA LEU A 48 19.635 -1.943 -3.730 1.00 0.00 C ATOM 785 C LEU A 48 19.152 -1.174 -4.966 1.00 0.00 C ATOM 786 O LEU A 48 19.933 -0.497 -5.632 1.00 0.00 O ATOM 787 CB LEU A 48 19.373 -3.442 -3.905 1.00 0.00 C ATOM 788 CG LEU A 48 20.144 -4.397 -2.986 1.00 0.00 C ATOM 789 CD1 LEU A 48 19.732 -5.833 -3.257 1.00 0.00 C ATOM 790 CD2 LEU A 48 21.650 -4.238 -3.172 1.00 0.00 C ATOM 0 H LEU A 48 18.303 -2.105 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 48 20.705 -1.751 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.307 -3.619 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 48 19.602 -3.707 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 48 19.900 -4.146 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.287 -6.501 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.664 -5.946 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.950 -6.084 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.173 -4.927 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.914 -4.459 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.940 -3.215 -2.934 1.00 0.00 H new ATOM 802 N SER A 49 17.884 -1.260 -5.248 1.00 0.00 N ATOM 803 CA SER A 49 17.329 -0.700 -6.463 1.00 0.00 C ATOM 804 C SER A 49 16.775 0.707 -6.240 1.00 0.00 C ATOM 805 O SER A 49 16.425 1.414 -7.200 1.00 0.00 O ATOM 806 CB SER A 49 16.235 -1.632 -6.971 1.00 0.00 C ATOM 807 OG SER A 49 16.734 -2.965 -7.082 1.00 0.00 O ATOM 0 H SER A 49 17.199 -1.719 -4.647 1.00 0.00 H new ATOM 0 HA SER A 49 18.123 -0.612 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.384 -1.610 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.876 -1.288 -7.941 1.00 0.00 H new ATOM 0 HG SER A 49 16.022 -3.555 -7.407 1.00 0.00 H new ATOM 813 N GLY A 50 16.710 1.118 -5.000 1.00 0.00 N ATOM 814 CA GLY A 50 16.161 2.408 -4.684 1.00 0.00 C ATOM 815 C GLY A 50 14.766 2.262 -4.154 1.00 0.00 C ATOM 816 O GLY A 50 14.035 1.338 -4.564 1.00 0.00 O ATOM 0 H GLY A 50 17.030 0.579 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.788 2.907 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.156 3.037 -5.574 1.00 0.00 H new ATOM 820 N ASN A 51 14.369 3.151 -3.272 1.00 0.00 N ATOM 821 CA ASN A 51 13.078 3.054 -2.635 1.00 0.00 C ATOM 822 C ASN A 51 11.957 3.211 -3.628 1.00 0.00 C ATOM 823 O ASN A 51 10.981 2.491 -3.576 1.00 0.00 O ATOM 824 CB ASN A 51 12.910 4.049 -1.494 1.00 0.00 C ATOM 825 CG ASN A 51 12.770 5.500 -1.875 1.00 0.00 C ATOM 826 OD1 ASN A 51 13.371 5.979 -2.832 1.00 0.00 O ATOM 827 ND2 ASN A 51 11.936 6.192 -1.158 1.00 0.00 N ATOM 0 H ASN A 51 14.926 3.953 -2.979 1.00 0.00 H new ATOM 0 HA ASN A 51 13.029 2.052 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.029 3.762 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.769 3.953 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.761 7.171 -1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.457 5.756 -0.370 1.00 0.00 H new ATOM 834 N ARG A 52 12.136 4.132 -4.534 1.00 0.00 N ATOM 835 CA ARG A 52 11.172 4.425 -5.597 1.00 0.00 C ATOM 836 C ARG A 52 10.814 3.165 -6.400 1.00 0.00 C ATOM 837 O ARG A 52 9.649 2.930 -6.707 1.00 0.00 O ATOM 838 CB ARG A 52 11.715 5.527 -6.517 1.00 0.00 C ATOM 839 CG ARG A 52 10.796 5.918 -7.667 1.00 0.00 C ATOM 840 CD ARG A 52 11.424 7.017 -8.511 1.00 0.00 C ATOM 841 NE ARG A 52 10.601 7.361 -9.680 1.00 0.00 N ATOM 842 CZ ARG A 52 10.853 8.362 -10.542 1.00 0.00 C ATOM 843 NH1 ARG A 52 11.915 9.148 -10.366 1.00 0.00 N ATOM 844 NH2 ARG A 52 10.041 8.563 -11.583 1.00 0.00 N ATOM 0 H ARG A 52 12.968 4.721 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 52 10.254 4.781 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.917 6.414 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.668 5.197 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.594 5.046 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.838 6.258 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.569 7.906 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.411 6.696 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 52 9.771 6.794 -9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.540 8.991 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.103 9.906 -11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.232 7.958 -11.723 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.230 9.322 -12.238 1.00 0.00 H new ATOM 858 N ASP A 53 11.810 2.342 -6.692 1.00 0.00 N ATOM 859 CA ASP A 53 11.569 1.092 -7.437 1.00 0.00 C ATOM 860 C ASP A 53 10.852 0.107 -6.540 1.00 0.00 C ATOM 861 O ASP A 53 9.904 -0.582 -6.949 1.00 0.00 O ATOM 862 CB ASP A 53 12.886 0.466 -7.925 1.00 0.00 C ATOM 863 CG ASP A 53 12.664 -0.725 -8.853 1.00 0.00 C ATOM 864 OD1 ASP A 53 12.485 -0.504 -10.075 1.00 0.00 O ATOM 865 OD2 ASP A 53 12.666 -1.896 -8.397 1.00 0.00 O ATOM 0 H ASP A 53 12.783 2.504 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 53 10.959 1.327 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.472 1.223 -8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.472 0.146 -7.064 1.00 0.00 H new ATOM 870 N THR A 54 11.276 0.102 -5.307 1.00 0.00 N ATOM 871 CA THR A 54 10.754 -0.762 -4.284 1.00 0.00 C ATOM 872 C THR A 54 9.276 -0.432 -3.970 1.00 0.00 C ATOM 873 O THR A 54 8.521 -1.296 -3.567 1.00 0.00 O ATOM 874 CB THR A 54 11.642 -0.627 -3.039 1.00 0.00 C ATOM 875 OG1 THR A 54 12.986 -0.883 -3.441 1.00 0.00 O ATOM 876 CG2 THR A 54 11.265 -1.618 -1.956 1.00 0.00 C ATOM 0 H THR A 54 12.018 0.719 -4.975 1.00 0.00 H new ATOM 0 HA THR A 54 10.770 -1.795 -4.630 1.00 0.00 H new ATOM 0 HB THR A 54 11.517 0.375 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.390 -0.056 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.921 -1.484 -1.096 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.231 -1.451 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.371 -2.633 -2.339 1.00 0.00 H new ATOM 884 N LEU A 55 8.884 0.811 -4.196 1.00 0.00 N ATOM 885 CA LEU A 55 7.505 1.257 -4.031 1.00 0.00 C ATOM 886 C LEU A 55 6.548 0.444 -4.905 1.00 0.00 C ATOM 887 O LEU A 55 5.480 0.049 -4.458 1.00 0.00 O ATOM 888 CB LEU A 55 7.400 2.775 -4.297 1.00 0.00 C ATOM 889 CG LEU A 55 8.126 3.646 -3.256 1.00 0.00 C ATOM 890 CD1 LEU A 55 8.175 5.101 -3.648 1.00 0.00 C ATOM 891 CD2 LEU A 55 7.407 3.556 -1.968 1.00 0.00 C ATOM 0 H LEU A 55 9.519 1.548 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 55 7.202 1.082 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.810 2.989 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.347 3.057 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 55 9.148 3.273 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.698 5.668 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.702 5.205 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.160 5.484 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.915 4.170 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.385 3.912 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.391 2.519 -1.632 1.00 0.00 H new ATOM 903 N TRP A 56 6.972 0.123 -6.116 1.00 0.00 N ATOM 904 CA TRP A 56 6.160 -0.702 -7.011 1.00 0.00 C ATOM 905 C TRP A 56 6.028 -2.113 -6.443 1.00 0.00 C ATOM 906 O TRP A 56 4.968 -2.743 -6.511 1.00 0.00 O ATOM 907 CB TRP A 56 6.790 -0.751 -8.415 1.00 0.00 C ATOM 908 CG TRP A 56 6.047 -1.631 -9.382 1.00 0.00 C ATOM 909 CD1 TRP A 56 6.386 -2.898 -9.763 1.00 0.00 C ATOM 910 CD2 TRP A 56 4.830 -1.320 -10.067 1.00 0.00 C ATOM 911 NE1 TRP A 56 5.469 -3.387 -10.656 1.00 0.00 N ATOM 912 CE2 TRP A 56 4.498 -2.440 -10.857 1.00 0.00 C ATOM 913 CE3 TRP A 56 3.991 -0.203 -10.092 1.00 0.00 C ATOM 914 CZ2 TRP A 56 3.362 -2.471 -11.662 1.00 0.00 C ATOM 915 CZ3 TRP A 56 2.865 -0.238 -10.891 1.00 0.00 C ATOM 916 CH2 TRP A 56 2.561 -1.364 -11.664 1.00 0.00 C ATOM 0 H TRP A 56 7.868 0.416 -6.505 1.00 0.00 H new ATOM 0 HA TRP A 56 5.168 -0.259 -7.092 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.835 0.260 -8.819 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.817 -1.106 -8.330 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.253 -3.437 -9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.503 -4.305 -11.099 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.218 0.670 -9.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 3.123 -3.337 -12.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.208 0.619 -10.920 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.672 -1.358 -12.277 1.00 0.00 H new ATOM 927 N HIS A 57 7.098 -2.572 -5.836 1.00 0.00 N ATOM 928 CA HIS A 57 7.161 -3.915 -5.293 1.00 0.00 C ATOM 929 C HIS A 57 6.391 -3.963 -3.960 1.00 0.00 C ATOM 930 O HIS A 57 5.975 -5.016 -3.521 1.00 0.00 O ATOM 931 CB HIS A 57 8.634 -4.322 -5.088 1.00 0.00 C ATOM 932 CG HIS A 57 8.879 -5.807 -5.059 1.00 0.00 C ATOM 933 ND1 HIS A 57 8.860 -6.588 -3.922 1.00 0.00 N ATOM 934 CD2 HIS A 57 9.179 -6.648 -6.079 1.00 0.00 C ATOM 935 CE1 HIS A 57 9.144 -7.842 -4.283 1.00 0.00 C ATOM 936 NE2 HIS A 57 9.347 -7.934 -5.587 1.00 0.00 N ATOM 0 H HIS A 57 7.950 -2.028 -5.703 1.00 0.00 H new ATOM 0 HA HIS A 57 6.702 -4.618 -5.988 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.232 -3.885 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.989 -3.891 -4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.273 -6.361 -7.116 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.201 -8.675 -3.598 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.578 -8.773 -6.118 1.00 0.00 H new ATOM 944 N LEU A 58 6.230 -2.797 -3.343 1.00 0.00 N ATOM 945 CA LEU A 58 5.494 -2.621 -2.087 1.00 0.00 C ATOM 946 C LEU A 58 4.020 -2.800 -2.334 1.00 0.00 C ATOM 947 O LEU A 58 3.333 -3.471 -1.588 1.00 0.00 O ATOM 948 CB LEU A 58 5.763 -1.212 -1.545 1.00 0.00 C ATOM 949 CG LEU A 58 5.000 -0.767 -0.278 1.00 0.00 C ATOM 950 CD1 LEU A 58 5.354 -1.620 0.925 1.00 0.00 C ATOM 951 CD2 LEU A 58 5.266 0.702 0.014 1.00 0.00 C ATOM 0 H LEU A 58 6.615 -1.925 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 58 5.823 -3.363 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.830 -1.131 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.537 -0.500 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 58 3.936 -0.903 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.795 -1.273 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.099 -2.660 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.423 -1.541 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.721 0.999 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.334 0.854 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.934 1.307 -0.830 1.00 0.00 H new ATOM 963 N PHE A 59 3.547 -2.163 -3.384 1.00 0.00 N ATOM 964 CA PHE A 59 2.151 -2.292 -3.801 1.00 0.00 C ATOM 965 C PHE A 59 1.849 -3.709 -4.289 1.00 0.00 C ATOM 966 O PHE A 59 0.715 -4.214 -4.167 1.00 0.00 O ATOM 967 CB PHE A 59 1.782 -1.239 -4.844 1.00 0.00 C ATOM 968 CG PHE A 59 1.579 0.134 -4.263 1.00 0.00 C ATOM 969 CD1 PHE A 59 2.642 0.989 -4.057 1.00 0.00 C ATOM 970 CD2 PHE A 59 0.310 0.562 -3.919 1.00 0.00 C ATOM 971 CE1 PHE A 59 2.449 2.246 -3.524 1.00 0.00 C ATOM 972 CE2 PHE A 59 0.109 1.813 -3.385 1.00 0.00 C ATOM 973 CZ PHE A 59 1.180 2.658 -3.188 1.00 0.00 C ATOM 0 H PHE A 59 4.106 -1.545 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 59 1.524 -2.110 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.568 -1.194 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.870 -1.548 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.640 0.669 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.534 -0.095 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.291 2.905 -3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.888 2.133 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.023 3.642 -2.771 1.00 0.00 H new ATOM 983 N ASN A 60 2.856 -4.343 -4.827 1.00 0.00 N ATOM 984 CA ASN A 60 2.768 -5.743 -5.196 1.00 0.00 C ATOM 985 C ASN A 60 2.752 -6.574 -3.917 1.00 0.00 C ATOM 986 O ASN A 60 3.398 -6.220 -2.951 1.00 0.00 O ATOM 987 CB ASN A 60 3.954 -6.154 -6.070 1.00 0.00 C ATOM 988 CG ASN A 60 3.908 -7.620 -6.472 1.00 0.00 C ATOM 989 OD1 ASN A 60 2.832 -8.208 -6.634 1.00 0.00 O ATOM 990 ND2 ASN A 60 5.057 -8.218 -6.611 1.00 0.00 N ATOM 0 H ASN A 60 3.759 -3.912 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 60 1.857 -5.910 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.970 -5.536 -6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.881 -5.958 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.091 -9.206 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.923 -7.698 -6.469 1.00 0.00 H new ATOM 997 N THR A 61 1.956 -7.629 -3.903 1.00 0.00 N ATOM 998 CA THR A 61 1.796 -8.524 -2.750 1.00 0.00 C ATOM 999 C THR A 61 0.902 -7.899 -1.666 1.00 0.00 C ATOM 1000 O THR A 61 0.160 -8.606 -0.980 1.00 0.00 O ATOM 1001 CB THR A 61 3.160 -8.994 -2.174 1.00 0.00 C ATOM 1002 OG1 THR A 61 3.892 -9.669 -3.211 1.00 0.00 O ATOM 1003 CG2 THR A 61 2.978 -9.937 -0.995 1.00 0.00 C ATOM 0 H THR A 61 1.387 -7.900 -4.705 1.00 0.00 H new ATOM 0 HA THR A 61 1.288 -9.417 -3.114 1.00 0.00 H new ATOM 0 HB THR A 61 3.704 -8.118 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.756 -9.969 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.955 -10.243 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.429 -9.428 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.420 -10.817 -1.316 1.00 0.00 H new ATOM 1011 N LEU A 62 0.935 -6.582 -1.570 1.00 0.00 N ATOM 1012 CA LEU A 62 0.137 -5.822 -0.689 1.00 0.00 C ATOM 1013 C LEU A 62 -1.323 -6.091 -1.009 1.00 0.00 C ATOM 1014 O LEU A 62 -2.112 -6.416 -0.142 1.00 0.00 O ATOM 1015 CB LEU A 62 0.468 -4.379 -0.958 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.196 -3.369 -0.079 1.00 0.00 C ATOM 1017 CD1 LEU A 62 0.276 -3.497 1.358 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -0.015 -1.961 -0.605 1.00 0.00 C ATOM 0 H LEU A 62 1.556 -6.008 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 62 0.318 -6.073 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.547 -4.254 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.207 -4.156 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.266 -3.577 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.224 -2.749 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.038 -4.493 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.354 -3.341 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.512 -1.257 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.048 -1.725 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.450 -1.886 -1.601 1.00 0.00 H new ATOM 1030 N GLN A 63 -1.633 -6.042 -2.292 1.00 0.00 N ATOM 1031 CA GLN A 63 -2.976 -6.300 -2.787 1.00 0.00 C ATOM 1032 C GLN A 63 -3.357 -7.794 -2.712 1.00 0.00 C ATOM 1033 O GLN A 63 -4.470 -8.170 -3.057 1.00 0.00 O ATOM 1034 CB GLN A 63 -3.136 -5.783 -4.214 1.00 0.00 C ATOM 1035 CG GLN A 63 -2.097 -6.318 -5.194 1.00 0.00 C ATOM 1036 CD GLN A 63 -2.416 -5.953 -6.624 1.00 0.00 C ATOM 1037 OE1 GLN A 63 -3.578 -5.815 -6.999 1.00 0.00 O ATOM 1038 NE2 GLN A 63 -1.402 -5.774 -7.423 1.00 0.00 N ATOM 0 H GLN A 63 -0.958 -5.821 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.660 -5.759 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.130 -6.048 -4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.081 -4.694 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.116 -5.923 -4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.039 -7.403 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.451 -5.898 -7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.559 -5.510 -8.396 1.00 0.00 H new ATOM 1047 N ARG A 64 -2.428 -8.641 -2.294 1.00 0.00 N ATOM 1048 CA ARG A 64 -2.720 -10.061 -2.122 1.00 0.00 C ATOM 1049 C ARG A 64 -3.058 -10.333 -0.673 1.00 0.00 C ATOM 1050 O ARG A 64 -3.395 -11.448 -0.288 1.00 0.00 O ATOM 1051 CB ARG A 64 -1.561 -10.950 -2.605 1.00 0.00 C ATOM 1052 CG ARG A 64 -1.339 -10.874 -4.104 1.00 0.00 C ATOM 1053 CD ARG A 64 -0.207 -11.770 -4.574 1.00 0.00 C ATOM 1054 NE ARG A 64 -0.068 -11.716 -6.036 1.00 0.00 N ATOM 1055 CZ ARG A 64 1.075 -11.500 -6.708 1.00 0.00 C ATOM 1056 NH1 ARG A 64 2.235 -11.412 -6.063 1.00 0.00 N ATOM 1057 NH2 ARG A 64 1.049 -11.409 -8.034 1.00 0.00 N ATOM 0 H ARG A 64 -1.470 -8.374 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.580 -10.314 -2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.646 -10.654 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.763 -11.984 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.258 -11.156 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.121 -9.843 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.726 -11.460 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.396 -12.797 -4.260 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.914 -11.855 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.263 -11.509 -5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.097 -11.248 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.165 -11.503 -8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.913 -11.245 -8.551 1.00 0.00 H new ATOM 1071 N ARG A 65 -2.968 -9.297 0.120 1.00 0.00 N ATOM 1072 CA ARG A 65 -3.328 -9.355 1.501 1.00 0.00 C ATOM 1073 C ARG A 65 -4.758 -8.835 1.581 1.00 0.00 C ATOM 1074 O ARG A 65 -5.060 -7.789 1.016 1.00 0.00 O ATOM 1075 CB ARG A 65 -2.367 -8.488 2.344 1.00 0.00 C ATOM 1076 CG ARG A 65 -0.882 -8.857 2.189 1.00 0.00 C ATOM 1077 CD ARG A 65 -0.580 -10.272 2.677 1.00 0.00 C ATOM 1078 NE ARG A 65 0.799 -10.702 2.361 1.00 0.00 N ATOM 1079 CZ ARG A 65 1.318 -11.898 2.699 1.00 0.00 C ATOM 1080 NH1 ARG A 65 0.604 -12.751 3.434 1.00 0.00 N ATOM 1081 NH2 ARG A 65 2.554 -12.226 2.325 1.00 0.00 N ATOM 0 H ARG A 65 -2.638 -8.381 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.259 -10.368 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.501 -7.443 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.644 -8.576 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.596 -8.768 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.273 -8.145 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.733 -10.321 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.286 -10.967 2.223 1.00 0.00 H new ATOM 0 HE ARG A 65 1.397 -10.050 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.335 -12.498 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.997 -13.657 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.113 -11.570 1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.941 -13.133 2.584 1.00 0.00 H new ATOM 1095 N PRO A 66 -5.666 -9.549 2.262 1.00 0.00 N ATOM 1096 CA PRO A 66 -7.110 -9.204 2.276 1.00 0.00 C ATOM 1097 C PRO A 66 -7.446 -7.959 3.094 1.00 0.00 C ATOM 1098 O PRO A 66 -8.586 -7.505 3.120 1.00 0.00 O ATOM 1099 CB PRO A 66 -7.752 -10.443 2.888 1.00 0.00 C ATOM 1100 CG PRO A 66 -6.692 -11.005 3.775 1.00 0.00 C ATOM 1101 CD PRO A 66 -5.386 -10.757 3.069 1.00 0.00 C ATOM 0 HA PRO A 66 -7.467 -8.956 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.650 -10.189 3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.049 -11.158 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.705 -10.523 4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.848 -12.071 3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.572 -10.591 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.099 -11.602 2.444 1.00 0.00 H new ATOM 1109 N GLY A 67 -6.459 -7.429 3.718 1.00 0.00 N ATOM 1110 CA GLY A 67 -6.610 -6.267 4.529 1.00 0.00 C ATOM 1111 C GLY A 67 -5.319 -5.538 4.600 1.00 0.00 C ATOM 1112 O GLY A 67 -4.475 -5.853 5.423 1.00 0.00 O ATOM 0 H GLY A 67 -5.507 -7.792 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.382 -5.619 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.935 -6.550 5.530 1.00 0.00 H new ATOM 1116 N TRP A 68 -5.113 -4.646 3.676 1.00 0.00 N ATOM 1117 CA TRP A 68 -3.900 -3.869 3.641 1.00 0.00 C ATOM 1118 C TRP A 68 -4.194 -2.391 3.817 1.00 0.00 C ATOM 1119 O TRP A 68 -3.325 -1.626 4.215 1.00 0.00 O ATOM 1120 CB TRP A 68 -3.157 -4.099 2.303 1.00 0.00 C ATOM 1121 CG TRP A 68 -3.950 -3.729 1.060 1.00 0.00 C ATOM 1122 CD1 TRP A 68 -4.768 -4.549 0.334 1.00 0.00 C ATOM 1123 CD2 TRP A 68 -3.981 -2.449 0.394 1.00 0.00 C ATOM 1124 NE1 TRP A 68 -5.309 -3.860 -0.724 1.00 0.00 N ATOM 1125 CE2 TRP A 68 -4.843 -2.574 -0.709 1.00 0.00 C ATOM 1126 CE3 TRP A 68 -3.369 -1.213 0.629 1.00 0.00 C ATOM 1127 CZ2 TRP A 68 -5.107 -1.515 -1.570 1.00 0.00 C ATOM 1128 CZ3 TRP A 68 -3.632 -0.164 -0.228 1.00 0.00 C ATOM 1129 CH2 TRP A 68 -4.494 -0.321 -1.315 1.00 0.00 C ATOM 0 H TRP A 68 -5.774 -4.434 2.928 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.267 -4.195 4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.233 -3.520 2.313 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.874 -5.150 2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -4.961 -5.587 0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -5.956 -4.246 -1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -2.701 -1.082 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -5.774 -1.632 -2.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -3.164 0.794 -0.055 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.680 0.519 -1.968 1.00 0.00 H new ATOM 1140 N VAL A 69 -5.440 -2.022 3.586 1.00 0.00 N ATOM 1141 CA VAL A 69 -5.846 -0.627 3.478 1.00 0.00 C ATOM 1142 C VAL A 69 -5.648 0.146 4.773 1.00 0.00 C ATOM 1143 O VAL A 69 -4.976 1.168 4.786 1.00 0.00 O ATOM 1144 CB VAL A 69 -7.321 -0.496 3.002 1.00 0.00 C ATOM 1145 CG1 VAL A 69 -7.711 0.964 2.833 1.00 0.00 C ATOM 1146 CG2 VAL A 69 -7.530 -1.244 1.698 1.00 0.00 C ATOM 0 H VAL A 69 -6.207 -2.684 3.467 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.192 -0.184 2.727 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.959 -0.937 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.747 1.028 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.604 1.482 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.062 1.431 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.568 -1.140 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.874 -0.830 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.298 -2.299 1.843 1.00 0.00 H new ATOM 1156 N GLU A 70 -6.166 -0.380 5.853 1.00 0.00 N ATOM 1157 CA GLU A 70 -6.138 0.292 7.138 1.00 0.00 C ATOM 1158 C GLU A 70 -4.723 0.427 7.658 1.00 0.00 C ATOM 1159 O GLU A 70 -4.355 1.445 8.271 1.00 0.00 O ATOM 1160 CB GLU A 70 -7.039 -0.407 8.180 1.00 0.00 C ATOM 1161 CG GLU A 70 -6.767 -1.900 8.423 1.00 0.00 C ATOM 1162 CD GLU A 70 -7.252 -2.788 7.298 1.00 0.00 C ATOM 1163 OE1 GLU A 70 -6.526 -2.964 6.311 1.00 0.00 O ATOM 1164 OE2 GLU A 70 -8.387 -3.285 7.388 1.00 0.00 O ATOM 0 H GLU A 70 -6.623 -1.292 5.872 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.540 1.292 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.935 0.119 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.077 -0.295 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.696 -2.050 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.251 -2.204 9.351 1.00 0.00 H new ATOM 1171 N TYR A 71 -3.933 -0.579 7.403 1.00 0.00 N ATOM 1172 CA TYR A 71 -2.566 -0.589 7.810 1.00 0.00 C ATOM 1173 C TYR A 71 -1.775 0.404 6.985 1.00 0.00 C ATOM 1174 O TYR A 71 -0.959 1.151 7.512 1.00 0.00 O ATOM 1175 CB TYR A 71 -1.994 -1.983 7.654 1.00 0.00 C ATOM 1176 CG TYR A 71 -2.740 -3.042 8.428 1.00 0.00 C ATOM 1177 CD1 TYR A 71 -2.662 -3.112 9.812 1.00 0.00 C ATOM 1178 CD2 TYR A 71 -3.516 -3.978 7.773 1.00 0.00 C ATOM 1179 CE1 TYR A 71 -3.338 -4.088 10.515 1.00 0.00 C ATOM 1180 CE2 TYR A 71 -4.197 -4.956 8.467 1.00 0.00 C ATOM 1181 CZ TYR A 71 -4.105 -5.005 9.834 1.00 0.00 C ATOM 1182 OH TYR A 71 -4.773 -5.990 10.526 1.00 0.00 O ATOM 0 H TYR A 71 -4.227 -1.418 6.903 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.500 -0.300 8.859 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.997 -2.250 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.953 -1.976 7.978 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.062 -2.391 10.347 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.591 -3.943 6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.266 -4.132 11.592 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.799 -5.679 7.937 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.269 -6.554 9.896 1.00 0.00 H new ATOM 1192 N PHE A 72 -2.069 0.437 5.698 1.00 0.00 N ATOM 1193 CA PHE A 72 -1.398 1.317 4.772 1.00 0.00 C ATOM 1194 C PHE A 72 -1.737 2.780 5.086 1.00 0.00 C ATOM 1195 O PHE A 72 -0.852 3.610 5.138 1.00 0.00 O ATOM 1196 CB PHE A 72 -1.771 0.939 3.331 1.00 0.00 C ATOM 1197 CG PHE A 72 -0.965 1.616 2.261 1.00 0.00 C ATOM 1198 CD1 PHE A 72 0.385 1.330 2.112 1.00 0.00 C ATOM 1199 CD2 PHE A 72 -1.551 2.523 1.397 1.00 0.00 C ATOM 1200 CE1 PHE A 72 1.132 1.938 1.124 1.00 0.00 C ATOM 1201 CE2 PHE A 72 -0.809 3.133 0.403 1.00 0.00 C ATOM 1202 CZ PHE A 72 0.535 2.839 0.269 1.00 0.00 C ATOM 0 H PHE A 72 -2.784 -0.150 5.268 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.319 1.204 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.663 -0.140 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.824 1.173 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.857 0.623 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.600 2.757 1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.182 1.708 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.278 3.838 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.117 3.315 -0.506 1.00 0.00 H new ATOM 1212 N ILE A 73 -3.013 3.071 5.345 1.00 0.00 N ATOM 1213 CA ILE A 73 -3.453 4.438 5.705 1.00 0.00 C ATOM 1214 C ILE A 73 -2.691 4.943 6.941 1.00 0.00 C ATOM 1215 O ILE A 73 -2.173 6.074 6.961 1.00 0.00 O ATOM 1216 CB ILE A 73 -4.989 4.493 5.988 1.00 0.00 C ATOM 1217 CG1 ILE A 73 -5.775 4.116 4.729 1.00 0.00 C ATOM 1218 CG2 ILE A 73 -5.414 5.883 6.485 1.00 0.00 C ATOM 1219 CD1 ILE A 73 -7.266 3.989 4.945 1.00 0.00 C ATOM 0 H ILE A 73 -3.767 2.385 5.315 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.235 5.081 4.852 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.212 3.772 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.593 4.868 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.393 3.170 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.488 5.890 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.883 6.118 7.407 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.174 6.629 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.748 3.720 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.461 3.215 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.665 4.940 5.298 1.00 0.00 H new ATOM 1231 N ALA A 74 -2.578 4.077 7.936 1.00 0.00 N ATOM 1232 CA ALA A 74 -1.900 4.416 9.172 1.00 0.00 C ATOM 1233 C ALA A 74 -0.403 4.572 8.943 1.00 0.00 C ATOM 1234 O ALA A 74 0.260 5.315 9.650 1.00 0.00 O ATOM 1235 CB ALA A 74 -2.173 3.370 10.241 1.00 0.00 C ATOM 0 H ALA A 74 -2.951 3.128 7.908 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.292 5.371 9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.655 3.645 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.245 3.316 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.816 2.399 9.899 1.00 0.00 H new ATOM 1241 N ALA A 75 0.111 3.891 7.941 1.00 0.00 N ATOM 1242 CA ALA A 75 1.511 3.968 7.602 1.00 0.00 C ATOM 1243 C ALA A 75 1.871 5.358 7.096 1.00 0.00 C ATOM 1244 O ALA A 75 2.774 6.000 7.647 1.00 0.00 O ATOM 1245 CB ALA A 75 1.876 2.912 6.589 1.00 0.00 C ATOM 0 H ALA A 75 -0.431 3.270 7.341 1.00 0.00 H new ATOM 0 HA ALA A 75 2.090 3.780 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.936 2.989 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.669 1.925 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.287 3.058 5.683 1.00 0.00 H new ATOM 1251 N LEU A 76 1.150 5.842 6.065 1.00 0.00 N ATOM 1252 CA LEU A 76 1.379 7.164 5.535 1.00 0.00 C ATOM 1253 C LEU A 76 1.216 8.226 6.605 1.00 0.00 C ATOM 1254 O LEU A 76 2.090 9.078 6.779 1.00 0.00 O ATOM 1255 CB LEU A 76 0.434 7.477 4.379 1.00 0.00 C ATOM 1256 CG LEU A 76 0.673 6.793 3.037 1.00 0.00 C ATOM 1257 CD1 LEU A 76 2.068 7.018 2.517 1.00 0.00 C ATOM 1258 CD2 LEU A 76 0.320 5.337 3.036 1.00 0.00 C ATOM 0 H LEU A 76 0.408 5.323 5.595 1.00 0.00 H new ATOM 0 HA LEU A 76 2.406 7.177 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.577 7.230 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.461 8.554 4.211 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.018 7.277 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.186 6.510 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.239 8.086 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.791 6.621 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.515 4.916 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.923 4.816 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.736 5.218 3.278 1.00 0.00 H new ATOM 1270 N ARG A 77 0.136 8.143 7.350 1.00 0.00 N ATOM 1271 CA ARG A 77 -0.161 9.136 8.364 1.00 0.00 C ATOM 1272 C ARG A 77 0.848 9.048 9.521 1.00 0.00 C ATOM 1273 O ARG A 77 1.226 10.067 10.118 1.00 0.00 O ATOM 1274 CB ARG A 77 -1.617 8.993 8.824 1.00 0.00 C ATOM 1275 CG ARG A 77 -2.103 10.092 9.758 1.00 0.00 C ATOM 1276 CD ARG A 77 -3.629 10.207 9.747 1.00 0.00 C ATOM 1277 NE ARG A 77 -4.311 8.945 10.063 1.00 0.00 N ATOM 1278 CZ ARG A 77 -5.615 8.687 9.845 1.00 0.00 C ATOM 1279 NH1 ARG A 77 -6.403 9.605 9.278 1.00 0.00 N ATOM 1280 NH2 ARG A 77 -6.125 7.513 10.194 1.00 0.00 N ATOM 0 H ARG A 77 -0.555 7.396 7.274 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.055 10.135 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.261 8.972 7.945 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.732 8.032 9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.760 9.886 10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.664 11.044 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.934 10.966 10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.953 10.551 8.765 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.751 8.203 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.018 10.510 9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.389 9.401 9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.530 6.807 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.112 7.317 10.029 1.00 0.00 H new ATOM 1294 N GLY A 78 1.315 7.839 9.779 1.00 0.00 N ATOM 1295 CA GLY A 78 2.331 7.598 10.778 1.00 0.00 C ATOM 1296 C GLY A 78 3.661 8.216 10.392 1.00 0.00 C ATOM 1297 O GLY A 78 4.352 8.774 11.237 1.00 0.00 O ATOM 0 H GLY A 78 0.997 6.997 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.004 8.007 11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.456 6.524 10.917 1.00 0.00 H new ATOM 1301 N CYS A 79 4.013 8.148 9.106 1.00 0.00 N ATOM 1302 CA CYS A 79 5.249 8.775 8.619 1.00 0.00 C ATOM 1303 C CYS A 79 5.021 10.274 8.322 1.00 0.00 C ATOM 1304 O CYS A 79 5.865 10.943 7.713 1.00 0.00 O ATOM 1305 CB CYS A 79 5.822 8.029 7.393 1.00 0.00 C ATOM 1306 SG CYS A 79 4.748 7.977 5.939 1.00 0.00 S ATOM 0 H CYS A 79 3.468 7.671 8.388 1.00 0.00 H new ATOM 0 HA CYS A 79 5.996 8.702 9.409 1.00 0.00 H new ATOM 0 HB2 CYS A 79 6.763 8.500 7.111 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.054 7.006 7.688 1.00 0.00 H new ATOM 0 HG CYS A 79 3.691 8.703 6.154 1.00 0.00 H new ATOM 1312 N GLU A 80 3.855 10.766 8.773 1.00 0.00 N ATOM 1313 CA GLU A 80 3.431 12.174 8.728 1.00 0.00 C ATOM 1314 C GLU A 80 3.015 12.659 7.342 1.00 0.00 C ATOM 1315 O GLU A 80 2.824 13.851 7.120 1.00 0.00 O ATOM 1316 CB GLU A 80 4.447 13.107 9.389 1.00 0.00 C ATOM 1317 CG GLU A 80 4.746 12.731 10.831 1.00 0.00 C ATOM 1318 CD GLU A 80 5.556 13.762 11.541 1.00 0.00 C ATOM 1319 OE1 GLU A 80 4.961 14.708 12.086 1.00 0.00 O ATOM 1320 OE2 GLU A 80 6.797 13.661 11.574 1.00 0.00 O ATOM 0 H GLU A 80 3.150 10.164 9.199 1.00 0.00 H new ATOM 0 HA GLU A 80 2.520 12.213 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.374 13.091 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.069 14.129 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.807 12.582 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.279 11.780 10.851 1.00 0.00 H new ATOM 1327 N LEU A 81 2.808 11.741 6.443 1.00 0.00 N ATOM 1328 CA LEU A 81 2.339 12.073 5.124 1.00 0.00 C ATOM 1329 C LEU A 81 0.841 11.850 5.086 1.00 0.00 C ATOM 1330 O LEU A 81 0.343 10.783 4.716 1.00 0.00 O ATOM 1331 CB LEU A 81 3.084 11.267 4.060 1.00 0.00 C ATOM 1332 CG LEU A 81 4.596 11.523 3.999 1.00 0.00 C ATOM 1333 CD1 LEU A 81 5.265 10.592 3.022 1.00 0.00 C ATOM 1334 CD2 LEU A 81 4.887 12.969 3.630 1.00 0.00 C ATOM 0 H LEU A 81 2.958 10.744 6.600 1.00 0.00 H new ATOM 0 HA LEU A 81 2.542 13.120 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.917 10.206 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.652 11.493 3.085 1.00 0.00 H new ATOM 0 HG LEU A 81 5.003 11.329 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.335 10.796 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.099 9.560 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.846 10.745 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.965 13.125 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.455 13.189 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.450 13.630 4.378 1.00 0.00 H new ATOM 1346 N VAL A 82 0.134 12.857 5.524 1.00 0.00 N ATOM 1347 CA VAL A 82 -1.291 12.785 5.747 1.00 0.00 C ATOM 1348 C VAL A 82 -2.076 12.775 4.440 1.00 0.00 C ATOM 1349 O VAL A 82 -3.029 12.003 4.296 1.00 0.00 O ATOM 1350 CB VAL A 82 -1.774 13.950 6.656 1.00 0.00 C ATOM 1351 CG1 VAL A 82 -3.255 13.813 6.998 1.00 0.00 C ATOM 1352 CG2 VAL A 82 -0.937 14.022 7.928 1.00 0.00 C ATOM 0 H VAL A 82 0.537 13.769 5.741 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.483 11.840 6.256 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.644 14.879 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.560 14.644 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.843 13.824 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.422 12.873 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.291 14.844 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.029 13.085 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.108 14.189 7.667 1.00 0.00 H new ATOM 1362 N ASP A 83 -1.644 13.578 3.470 1.00 0.00 N ATOM 1363 CA ASP A 83 -2.375 13.693 2.196 1.00 0.00 C ATOM 1364 C ASP A 83 -2.433 12.365 1.462 1.00 0.00 C ATOM 1365 O ASP A 83 -3.455 12.024 0.863 1.00 0.00 O ATOM 1366 CB ASP A 83 -1.832 14.817 1.273 1.00 0.00 C ATOM 1367 CG ASP A 83 -0.452 14.576 0.670 1.00 0.00 C ATOM 1368 OD1 ASP A 83 0.571 14.860 1.343 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -0.364 14.183 -0.507 1.00 0.00 O ATOM 0 H ASP A 83 -0.804 14.154 3.533 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.392 13.981 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.542 14.967 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.801 15.745 1.843 1.00 0.00 H new ATOM 1374 N LEU A 84 -1.373 11.595 1.561 1.00 0.00 N ATOM 1375 CA LEU A 84 -1.324 10.287 0.932 1.00 0.00 C ATOM 1376 C LEU A 84 -2.228 9.294 1.655 1.00 0.00 C ATOM 1377 O LEU A 84 -2.883 8.467 1.030 1.00 0.00 O ATOM 1378 CB LEU A 84 0.111 9.781 0.868 1.00 0.00 C ATOM 1379 CG LEU A 84 1.041 10.556 -0.063 1.00 0.00 C ATOM 1380 CD1 LEU A 84 2.463 10.034 0.048 1.00 0.00 C ATOM 1381 CD2 LEU A 84 0.553 10.437 -1.498 1.00 0.00 C ATOM 0 H LEU A 84 -0.528 11.850 2.072 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.696 10.384 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.531 9.804 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.096 8.738 0.552 1.00 0.00 H new ATOM 0 HG LEU A 84 1.034 11.605 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.111 10.598 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.814 10.149 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.486 8.980 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.221 10.992 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.542 9.388 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.455 10.846 -1.575 1.00 0.00 H new ATOM 1393 N ALA A 85 -2.291 9.412 2.967 1.00 0.00 N ATOM 1394 CA ALA A 85 -3.138 8.546 3.773 1.00 0.00 C ATOM 1395 C ALA A 85 -4.600 8.807 3.448 1.00 0.00 C ATOM 1396 O ALA A 85 -5.401 7.879 3.289 1.00 0.00 O ATOM 1397 CB ALA A 85 -2.888 8.796 5.252 1.00 0.00 C ATOM 0 H ALA A 85 -1.764 10.102 3.502 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.898 7.508 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.528 8.142 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.843 8.590 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.114 9.836 5.488 1.00 0.00 H new ATOM 1403 N ASP A 86 -4.916 10.078 3.308 1.00 0.00 N ATOM 1404 CA ASP A 86 -6.264 10.534 3.028 1.00 0.00 C ATOM 1405 C ASP A 86 -6.758 10.076 1.675 1.00 0.00 C ATOM 1406 O ASP A 86 -7.906 9.644 1.551 1.00 0.00 O ATOM 1407 CB ASP A 86 -6.359 12.056 3.113 1.00 0.00 C ATOM 1408 CG ASP A 86 -7.750 12.572 2.785 1.00 0.00 C ATOM 1409 OD1 ASP A 86 -8.687 12.373 3.591 1.00 0.00 O ATOM 1410 OD2 ASP A 86 -7.930 13.202 1.720 1.00 0.00 O ATOM 0 H ASP A 86 -4.236 10.834 3.386 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.902 10.087 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.083 12.378 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.639 12.501 2.426 1.00 0.00 H new ATOM 1415 N GLU A 87 -5.905 10.134 0.664 1.00 0.00 N ATOM 1416 CA GLU A 87 -6.346 9.775 -0.680 1.00 0.00 C ATOM 1417 C GLU A 87 -6.627 8.280 -0.809 1.00 0.00 C ATOM 1418 O GLU A 87 -7.465 7.863 -1.605 1.00 0.00 O ATOM 1419 CB GLU A 87 -5.443 10.354 -1.784 1.00 0.00 C ATOM 1420 CG GLU A 87 -4.097 9.720 -2.039 1.00 0.00 C ATOM 1421 CD GLU A 87 -3.321 10.586 -3.022 1.00 0.00 C ATOM 1422 OE1 GLU A 87 -3.565 10.523 -4.251 1.00 0.00 O ATOM 1423 OE2 GLU A 87 -2.536 11.434 -2.572 1.00 0.00 O ATOM 0 H GLU A 87 -4.928 10.418 0.740 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.307 10.262 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.004 10.321 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.272 11.405 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.544 9.622 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.224 8.715 -2.441 1.00 0.00 H new ATOM 1430 N VAL A 88 -5.961 7.490 0.015 1.00 0.00 N ATOM 1431 CA VAL A 88 -6.272 6.061 0.117 1.00 0.00 C ATOM 1432 C VAL A 88 -7.598 5.895 0.871 1.00 0.00 C ATOM 1433 O VAL A 88 -8.534 5.232 0.391 1.00 0.00 O ATOM 1434 CB VAL A 88 -5.160 5.272 0.873 1.00 0.00 C ATOM 1435 CG1 VAL A 88 -5.488 3.785 0.950 1.00 0.00 C ATOM 1436 CG2 VAL A 88 -3.814 5.472 0.216 1.00 0.00 C ATOM 0 H VAL A 88 -5.205 7.804 0.623 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.340 5.659 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.116 5.666 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.693 3.264 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.431 3.647 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.576 3.379 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.056 4.911 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.856 5.118 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.559 6.532 0.225 1.00 0.00 H new ATOM 1446 N ALA A 89 -7.683 6.552 2.026 1.00 0.00 N ATOM 1447 CA ALA A 89 -8.845 6.475 2.914 1.00 0.00 C ATOM 1448 C ALA A 89 -10.139 6.863 2.208 1.00 0.00 C ATOM 1449 O ALA A 89 -11.154 6.168 2.336 1.00 0.00 O ATOM 1450 CB ALA A 89 -8.631 7.344 4.146 1.00 0.00 C ATOM 0 H ALA A 89 -6.942 7.159 2.376 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.946 5.435 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.504 7.276 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.749 6.999 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.487 8.380 3.840 1.00 0.00 H new ATOM 1456 N SER A 90 -10.075 7.923 1.417 1.00 0.00 N ATOM 1457 CA SER A 90 -11.226 8.469 0.696 1.00 0.00 C ATOM 1458 C SER A 90 -11.892 7.432 -0.228 1.00 0.00 C ATOM 1459 O SER A 90 -13.102 7.493 -0.476 1.00 0.00 O ATOM 1460 CB SER A 90 -10.794 9.692 -0.121 1.00 0.00 C ATOM 1461 OG SER A 90 -10.206 10.689 0.713 1.00 0.00 O ATOM 0 H SER A 90 -9.211 8.440 1.252 1.00 0.00 H new ATOM 0 HA SER A 90 -11.966 8.758 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.080 9.387 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.657 10.110 -0.639 1.00 0.00 H new ATOM 0 HG SER A 90 -9.248 10.510 0.811 1.00 0.00 H new ATOM 1467 N VAL A 91 -11.124 6.479 -0.706 1.00 0.00 N ATOM 1468 CA VAL A 91 -11.647 5.486 -1.621 1.00 0.00 C ATOM 1469 C VAL A 91 -12.340 4.379 -0.848 1.00 0.00 C ATOM 1470 O VAL A 91 -13.469 3.982 -1.169 1.00 0.00 O ATOM 1471 CB VAL A 91 -10.528 4.901 -2.505 1.00 0.00 C ATOM 1472 CG1 VAL A 91 -11.094 3.942 -3.546 1.00 0.00 C ATOM 1473 CG2 VAL A 91 -9.773 6.020 -3.177 1.00 0.00 C ATOM 0 H VAL A 91 -10.136 6.369 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.372 5.973 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.845 4.337 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.282 3.545 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.606 3.121 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.800 4.473 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.983 5.602 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.457 6.599 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.333 6.668 -2.419 1.00 0.00 H new ATOM 1483 N TYR A 92 -11.708 3.951 0.221 1.00 0.00 N ATOM 1484 CA TYR A 92 -12.224 2.864 1.038 1.00 0.00 C ATOM 1485 C TYR A 92 -13.376 3.378 1.950 1.00 0.00 C ATOM 1486 O TYR A 92 -13.986 2.646 2.706 1.00 0.00 O ATOM 1487 CB TYR A 92 -11.071 2.237 1.830 1.00 0.00 C ATOM 1488 CG TYR A 92 -11.371 0.871 2.395 1.00 0.00 C ATOM 1489 CD1 TYR A 92 -11.351 -0.254 1.580 1.00 0.00 C ATOM 1490 CD2 TYR A 92 -11.677 0.708 3.720 1.00 0.00 C ATOM 1491 CE1 TYR A 92 -11.631 -1.507 2.087 1.00 0.00 C ATOM 1492 CE2 TYR A 92 -11.963 -0.536 4.238 1.00 0.00 C ATOM 1493 CZ TYR A 92 -11.937 -1.643 3.419 1.00 0.00 C ATOM 1494 OH TYR A 92 -12.250 -2.893 3.935 1.00 0.00 O ATOM 0 H TYR A 92 -10.825 4.341 0.552 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.652 2.085 0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.198 2.164 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.804 2.905 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.112 -0.146 0.532 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.694 1.570 4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.610 -2.373 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.207 -0.643 5.285 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.895 -3.589 3.344 1.00 0.00 H new ATOM 1504 N GLN A 93 -13.614 4.668 1.888 1.00 0.00 N ATOM 1505 CA GLN A 93 -14.784 5.285 2.516 1.00 0.00 C ATOM 1506 C GLN A 93 -16.025 5.000 1.683 1.00 0.00 C ATOM 1507 O GLN A 93 -17.139 4.951 2.196 1.00 0.00 O ATOM 1508 CB GLN A 93 -14.599 6.801 2.655 1.00 0.00 C ATOM 1509 CG GLN A 93 -13.729 7.237 3.823 1.00 0.00 C ATOM 1510 CD GLN A 93 -14.402 6.982 5.157 1.00 0.00 C ATOM 1511 OE1 GLN A 93 -15.121 7.831 5.662 1.00 0.00 O ATOM 1512 NE2 GLN A 93 -14.185 5.835 5.729 1.00 0.00 N ATOM 0 H GLN A 93 -13.008 5.329 1.403 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.901 4.858 3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -14.162 7.185 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -15.580 7.264 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.780 6.703 3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.501 8.299 3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.579 5.148 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.621 5.622 6.626 1.00 0.00 H new ATOM 1521 N SER A 94 -15.817 4.801 0.396 1.00 0.00 N ATOM 1522 CA SER A 94 -16.899 4.537 -0.512 1.00 0.00 C ATOM 1523 C SER A 94 -17.022 3.019 -0.690 1.00 0.00 C ATOM 1524 O SER A 94 -18.118 2.457 -0.680 1.00 0.00 O ATOM 1525 CB SER A 94 -16.626 5.243 -1.859 1.00 0.00 C ATOM 1526 OG SER A 94 -17.776 5.270 -2.708 1.00 0.00 O ATOM 0 H SER A 94 -14.896 4.819 -0.041 1.00 0.00 H new ATOM 0 HA SER A 94 -17.839 4.924 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.295 6.264 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.811 4.734 -2.373 1.00 0.00 H new ATOM 0 HG SER A 94 -17.554 5.728 -3.546 1.00 0.00 H new ATOM 1532 N TYR A 95 -15.894 2.360 -0.833 1.00 0.00 N ATOM 1533 CA TYR A 95 -15.858 0.926 -0.970 1.00 0.00 C ATOM 1534 C TYR A 95 -15.614 0.296 0.378 1.00 0.00 C ATOM 1535 O TYR A 95 -14.508 0.326 0.883 1.00 0.00 O ATOM 1536 CB TYR A 95 -14.807 0.502 -2.005 1.00 0.00 C ATOM 1537 CG TYR A 95 -15.087 1.010 -3.408 1.00 0.00 C ATOM 1538 CD1 TYR A 95 -15.900 0.287 -4.284 1.00 0.00 C ATOM 1539 CD2 TYR A 95 -14.537 2.203 -3.863 1.00 0.00 C ATOM 1540 CE1 TYR A 95 -16.149 0.744 -5.563 1.00 0.00 C ATOM 1541 CE2 TYR A 95 -14.782 2.664 -5.141 1.00 0.00 C ATOM 1542 CZ TYR A 95 -15.589 1.929 -5.986 1.00 0.00 C ATOM 1543 OH TYR A 95 -15.833 2.383 -7.269 1.00 0.00 O ATOM 0 H TYR A 95 -14.977 2.806 -0.857 1.00 0.00 H new ATOM 0 HA TYR A 95 -16.821 0.573 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.830 0.865 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -14.751 -0.586 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -16.340 -0.643 -3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -13.906 2.780 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -16.780 0.174 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -14.345 3.593 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 95 -15.366 3.233 -7.410 1.00 0.00 H new