USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 666 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 Single : A 13 SER OG : rot -18:sc= 0.724 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -2.31! USER MOD Single : A 27 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.17) USER MOD Single : A 32 GLN : amide:sc= -0.05 K(o=-0.05,f=-1.4) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -24:sc= -1.66! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.27) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.424 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.48) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.02 F(o=-2,f=-1) USER MOD Single : A 76 HIS : no HE2:sc= -0.313 K(o=-0.31,f=-2.2) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 99:sc= 0.0949 USER MOD Single : A 85 ASN : amide:sc= -5.17! C(o=-5.2!,f=-23!) USER MOD Single : A 89 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.01) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00155 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -0.655 K(o=-0.66,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.573 -0.354 1.274 1.00 0.00 N ATOM 84 CA GLU A 9 17.238 -0.789 0.879 1.00 0.00 C ATOM 85 C GLU A 9 16.577 -1.595 1.993 1.00 0.00 C ATOM 86 O GLU A 9 17.177 -1.838 3.040 1.00 0.00 O ATOM 87 CB GLU A 9 17.308 -1.627 -0.399 1.00 0.00 C ATOM 88 CG GLU A 9 17.640 -0.817 -1.641 1.00 0.00 C ATOM 89 CD GLU A 9 19.133 -0.676 -1.864 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.781 -1.690 -2.197 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.654 0.448 -1.704 1.00 0.00 O ATOM 0 HA GLU A 9 16.635 0.099 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.060 -2.406 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.352 -2.128 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.190 -1.293 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.194 0.174 -1.554 1.00 0.00 H new ATOM 98 N VAL A 10 15.334 -2.007 1.760 1.00 0.00 N ATOM 99 CA VAL A 10 14.590 -2.786 2.743 1.00 0.00 C ATOM 100 C VAL A 10 13.472 -3.582 2.080 1.00 0.00 C ATOM 101 O VAL A 10 13.073 -3.291 0.953 1.00 0.00 O ATOM 102 CB VAL A 10 13.986 -1.882 3.834 1.00 0.00 C ATOM 103 CG1 VAL A 10 14.991 -1.649 4.952 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.525 -0.562 3.237 1.00 0.00 C ATOM 0 H VAL A 10 14.822 -1.814 0.899 1.00 0.00 H new ATOM 0 HA VAL A 10 15.298 -3.475 3.204 1.00 0.00 H new ATOM 0 HB VAL A 10 13.117 -2.386 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.546 -1.008 5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.267 -2.604 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.881 -1.167 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.101 0.064 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.375 -0.051 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.768 -0.752 2.476 1.00 0.00 H new ATOM 114 N ALA A 11 12.969 -4.588 2.789 1.00 0.00 N ATOM 115 CA ALA A 11 11.894 -5.425 2.270 1.00 0.00 C ATOM 116 C ALA A 11 10.528 -4.831 2.600 1.00 0.00 C ATOM 117 O ALA A 11 10.361 -4.102 3.577 1.00 0.00 O ATOM 118 CB ALA A 11 12.007 -6.835 2.829 1.00 0.00 C ATOM 0 H ALA A 11 13.289 -4.843 3.724 1.00 0.00 H new ATOM 0 HA ALA A 11 11.991 -5.467 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.198 -7.449 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.965 -7.266 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.939 -6.802 3.916 1.00 0.00 H new ATOM 124 N PRO A 12 9.527 -5.149 1.766 1.00 0.00 N ATOM 125 CA PRO A 12 8.159 -4.657 1.948 1.00 0.00 C ATOM 126 C PRO A 12 7.476 -5.279 3.161 1.00 0.00 C ATOM 127 O PRO A 12 7.641 -6.468 3.437 1.00 0.00 O ATOM 128 CB PRO A 12 7.453 -5.086 0.659 1.00 0.00 C ATOM 129 CG PRO A 12 8.228 -6.263 0.176 1.00 0.00 C ATOM 130 CD PRO A 12 9.654 -6.013 0.580 1.00 0.00 C ATOM 0 HA PRO A 12 8.133 -3.582 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.412 -5.348 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.452 -4.283 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.853 -7.186 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.142 -6.370 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.174 -6.942 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.217 -5.524 -0.215 1.00 0.00 H new ATOM 138 N SER A 13 6.708 -4.469 3.883 1.00 0.00 N ATOM 139 CA SER A 13 6.003 -4.940 5.069 1.00 0.00 C ATOM 140 C SER A 13 4.814 -4.038 5.388 1.00 0.00 C ATOM 141 O SER A 13 4.900 -2.815 5.276 1.00 0.00 O ATOM 142 CB SER A 13 6.953 -4.991 6.267 1.00 0.00 C ATOM 143 OG SER A 13 8.051 -5.851 6.011 1.00 0.00 O ATOM 0 H SER A 13 6.558 -3.483 3.667 1.00 0.00 H new ATOM 0 HA SER A 13 5.632 -5.944 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.317 -3.988 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.413 -5.337 7.149 1.00 0.00 H new ATOM 0 HG SER A 13 7.835 -6.443 5.260 1.00 0.00 H new ATOM 149 N PHE A 14 3.704 -4.652 5.785 1.00 0.00 N ATOM 150 CA PHE A 14 2.496 -3.907 6.119 1.00 0.00 C ATOM 151 C PHE A 14 2.447 -3.590 7.611 1.00 0.00 C ATOM 152 O PHE A 14 2.317 -4.488 8.443 1.00 0.00 O ATOM 153 CB PHE A 14 1.253 -4.701 5.714 1.00 0.00 C ATOM 154 CG PHE A 14 1.018 -4.732 4.231 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.606 -3.593 3.558 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.209 -5.899 3.510 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.388 -3.618 2.193 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.993 -5.931 2.145 1.00 0.00 C ATOM 159 CZ PHE A 14 0.583 -4.788 1.486 1.00 0.00 C ATOM 0 H PHE A 14 3.616 -5.663 5.883 1.00 0.00 H new ATOM 0 HA PHE A 14 2.515 -2.968 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.350 -5.723 6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.380 -4.269 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.453 -2.675 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.531 -6.795 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.066 -2.724 1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.144 -6.848 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.415 -4.810 0.419 1.00 0.00 H new ATOM 169 N SER A 15 2.554 -2.307 7.941 1.00 0.00 N ATOM 170 CA SER A 15 2.527 -1.872 9.333 1.00 0.00 C ATOM 171 C SER A 15 1.102 -1.876 9.876 1.00 0.00 C ATOM 172 O SER A 15 0.857 -2.302 11.004 1.00 0.00 O ATOM 173 CB SER A 15 3.130 -0.471 9.462 1.00 0.00 C ATOM 174 OG SER A 15 2.795 0.115 10.708 1.00 0.00 O ATOM 0 H SER A 15 2.660 -1.551 7.264 1.00 0.00 H new ATOM 0 HA SER A 15 3.122 -2.572 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.214 -0.528 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.768 0.160 8.650 1.00 0.00 H new ATOM 0 HG SER A 15 3.193 1.009 10.767 1.00 0.00 H new ATOM 180 N SER A 16 0.164 -1.399 9.063 1.00 0.00 N ATOM 181 CA SER A 16 -1.237 -1.343 9.462 1.00 0.00 C ATOM 182 C SER A 16 -2.130 -1.976 8.399 1.00 0.00 C ATOM 183 O SER A 16 -2.844 -1.280 7.677 1.00 0.00 O ATOM 184 CB SER A 16 -1.663 0.105 9.706 1.00 0.00 C ATOM 185 OG SER A 16 -1.329 0.521 11.019 1.00 0.00 O ATOM 0 H SER A 16 0.350 -1.046 8.124 1.00 0.00 H new ATOM 0 HA SER A 16 -1.348 -1.907 10.388 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.178 0.757 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.738 0.202 9.553 1.00 0.00 H new ATOM 0 HG SER A 16 -1.610 1.451 11.149 1.00 0.00 H new ATOM 191 N VAL A 17 -2.085 -3.301 8.309 1.00 0.00 N ATOM 192 CA VAL A 17 -2.889 -4.030 7.336 1.00 0.00 C ATOM 193 C VAL A 17 -4.327 -3.521 7.320 1.00 0.00 C ATOM 194 O VAL A 17 -4.779 -2.877 8.267 1.00 0.00 O ATOM 195 CB VAL A 17 -2.895 -5.541 7.630 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.480 -6.099 7.586 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.544 -5.819 8.977 1.00 0.00 C ATOM 0 H VAL A 17 -1.499 -3.892 8.899 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.434 -3.860 6.360 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.482 -6.041 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.504 -7.168 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.054 -5.933 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.867 -5.596 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.540 -6.892 9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.986 -5.308 9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.572 -5.456 8.967 1.00 0.00 H new ATOM 207 N LEU A 18 -5.040 -3.814 6.239 1.00 0.00 N ATOM 208 CA LEU A 18 -6.428 -3.387 6.099 1.00 0.00 C ATOM 209 C LEU A 18 -7.324 -4.112 7.099 1.00 0.00 C ATOM 210 O LEU A 18 -7.022 -5.226 7.527 1.00 0.00 O ATOM 211 CB LEU A 18 -6.921 -3.647 4.674 1.00 0.00 C ATOM 212 CG LEU A 18 -6.202 -2.878 3.565 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.302 -3.628 2.246 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.776 -1.476 3.429 1.00 0.00 C ATOM 0 H LEU A 18 -4.680 -4.346 5.446 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.476 -2.318 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.829 -4.713 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.983 -3.404 4.628 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.149 -2.792 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.785 -3.066 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.842 -4.611 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.351 -3.745 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.252 -0.944 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.836 -1.539 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.651 -0.939 4.369 1.00 0.00 H new ATOM 226 N LYS A 19 -8.429 -3.472 7.467 1.00 0.00 N ATOM 227 CA LYS A 19 -9.372 -4.056 8.413 1.00 0.00 C ATOM 228 C LYS A 19 -10.805 -3.923 7.906 1.00 0.00 C ATOM 229 O LYS A 19 -11.192 -2.880 7.378 1.00 0.00 O ATOM 230 CB LYS A 19 -9.239 -3.380 9.780 1.00 0.00 C ATOM 231 CG LYS A 19 -7.860 -3.529 10.400 1.00 0.00 C ATOM 232 CD LYS A 19 -7.765 -4.783 11.252 1.00 0.00 C ATOM 233 CE LYS A 19 -6.336 -5.041 11.707 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.996 -4.266 12.932 1.00 0.00 N ATOM 0 H LYS A 19 -8.693 -2.548 7.124 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.138 -5.116 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.469 -2.320 9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.981 -3.802 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.108 -3.565 9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.639 -2.655 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.413 -4.682 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.127 -5.639 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.203 -6.105 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.646 -4.775 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.015 -4.469 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.098 -3.249 12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.638 -4.538 13.704 1.00 0.00 H new ATOM 248 N ASP A 20 -11.587 -4.983 8.073 1.00 0.00 N ATOM 249 CA ASP A 20 -12.978 -4.983 7.634 1.00 0.00 C ATOM 250 C ASP A 20 -13.628 -3.627 7.887 1.00 0.00 C ATOM 251 O ASP A 20 -13.366 -2.981 8.903 1.00 0.00 O ATOM 252 CB ASP A 20 -13.762 -6.081 8.356 1.00 0.00 C ATOM 253 CG ASP A 20 -14.064 -5.724 9.798 1.00 0.00 C ATOM 254 OD1 ASP A 20 -13.126 -5.326 10.519 1.00 0.00 O ATOM 255 OD2 ASP A 20 -15.239 -5.842 10.205 1.00 0.00 O ATOM 0 H ASP A 20 -11.282 -5.853 8.509 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.995 -5.179 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.697 -6.264 7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.192 -7.010 8.326 1.00 0.00 H new ATOM 260 N CYS A 21 -14.474 -3.199 6.957 1.00 0.00 N ATOM 261 CA CYS A 21 -15.160 -1.918 7.078 1.00 0.00 C ATOM 262 C CYS A 21 -16.604 -2.027 6.599 1.00 0.00 C ATOM 263 O CYS A 21 -16.905 -2.775 5.669 1.00 0.00 O ATOM 264 CB CYS A 21 -14.424 -0.844 6.276 1.00 0.00 C ATOM 265 SG CYS A 21 -14.210 -1.246 4.526 1.00 0.00 S ATOM 0 H CYS A 21 -14.701 -3.721 6.110 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.166 -1.635 8.131 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.972 0.095 6.358 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -13.443 -0.680 6.723 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.579 -0.277 3.932 1.00 0.00 H new ATOM 271 N ALA A 22 -17.493 -1.276 7.241 1.00 0.00 N ATOM 272 CA ALA A 22 -18.906 -1.288 6.880 1.00 0.00 C ATOM 273 C ALA A 22 -19.319 0.031 6.237 1.00 0.00 C ATOM 274 O ALA A 22 -18.967 1.107 6.721 1.00 0.00 O ATOM 275 CB ALA A 22 -19.761 -1.570 8.106 1.00 0.00 C ATOM 0 H ALA A 22 -17.260 -0.652 8.013 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.063 -2.083 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.813 -1.576 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.492 -2.541 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.591 -0.795 8.854 1.00 0.00 H new ATOM 281 N VAL A 23 -20.067 -0.059 5.141 1.00 0.00 N ATOM 282 CA VAL A 23 -20.528 1.128 4.431 1.00 0.00 C ATOM 283 C VAL A 23 -21.977 0.972 3.983 1.00 0.00 C ATOM 284 O VAL A 23 -22.434 -0.137 3.702 1.00 0.00 O ATOM 285 CB VAL A 23 -19.651 1.422 3.200 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.975 0.457 2.070 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.832 2.864 2.750 1.00 0.00 C ATOM 0 H VAL A 23 -20.366 -0.941 4.726 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.454 1.962 5.128 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.606 1.280 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.345 0.680 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.789 -0.565 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.023 0.563 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.205 3.055 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.876 3.036 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.544 3.536 3.558 1.00 0.00 H new ATOM 297 N ILE A 24 -22.695 2.088 3.919 1.00 0.00 N ATOM 298 CA ILE A 24 -24.092 2.075 3.503 1.00 0.00 C ATOM 299 C ILE A 24 -24.219 2.278 1.997 1.00 0.00 C ATOM 300 O ILE A 24 -23.426 2.997 1.389 1.00 0.00 O ATOM 301 CB ILE A 24 -24.905 3.164 4.228 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.108 2.787 5.697 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.245 3.371 3.538 1.00 0.00 C ATOM 304 CD1 ILE A 24 -23.861 2.941 6.538 1.00 0.00 C ATOM 0 H ILE A 24 -22.332 3.013 4.150 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.492 1.097 3.770 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.349 4.100 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.899 3.408 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.450 1.754 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.808 4.143 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.079 3.680 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.809 2.438 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -24.079 2.656 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.074 2.299 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.530 3.979 6.511 1.00 0.00 H new ATOM 316 N GLU A 25 -25.224 1.642 1.403 1.00 0.00 N ATOM 317 CA GLU A 25 -25.455 1.755 -0.033 1.00 0.00 C ATOM 318 C GLU A 25 -25.610 3.216 -0.446 1.00 0.00 C ATOM 319 O GLU A 25 -26.554 3.891 -0.039 1.00 0.00 O ATOM 320 CB GLU A 25 -26.703 0.965 -0.434 1.00 0.00 C ATOM 321 CG GLU A 25 -26.928 0.904 -1.935 1.00 0.00 C ATOM 322 CD GLU A 25 -28.348 0.514 -2.297 1.00 0.00 C ATOM 323 OE1 GLU A 25 -29.288 1.132 -1.755 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.519 -0.408 -3.121 1.00 0.00 O ATOM 0 H GLU A 25 -25.890 1.044 1.892 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.589 1.340 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.620 -0.050 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.576 1.417 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.699 1.876 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.235 0.186 -2.374 1.00 0.00 H new ATOM 331 N GLY A 26 -24.673 3.697 -1.257 1.00 0.00 N ATOM 332 CA GLY A 26 -24.722 5.075 -1.712 1.00 0.00 C ATOM 333 C GLY A 26 -23.662 5.939 -1.059 1.00 0.00 C ATOM 334 O GLY A 26 -23.567 7.133 -1.340 1.00 0.00 O ATOM 0 H GLY A 26 -23.881 3.158 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.592 5.102 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.707 5.490 -1.498 1.00 0.00 H new ATOM 338 N GLN A 27 -22.864 5.335 -0.184 1.00 0.00 N ATOM 339 CA GLN A 27 -21.807 6.059 0.512 1.00 0.00 C ATOM 340 C GLN A 27 -20.457 5.828 -0.158 1.00 0.00 C ATOM 341 O GLN A 27 -20.331 4.990 -1.051 1.00 0.00 O ATOM 342 CB GLN A 27 -21.743 5.625 1.977 1.00 0.00 C ATOM 343 CG GLN A 27 -22.651 6.431 2.891 1.00 0.00 C ATOM 344 CD GLN A 27 -22.202 7.872 3.037 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.053 8.143 3.385 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.109 8.805 2.771 1.00 0.00 N ATOM 0 H GLN A 27 -22.929 4.347 0.060 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.038 7.123 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.014 4.571 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.715 5.714 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.667 6.409 2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.679 5.962 3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.050 8.535 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -22.864 9.792 2.852 1.00 0.00 H new ATOM 355 N ASP A 28 -19.450 6.578 0.277 1.00 0.00 N ATOM 356 CA ASP A 28 -18.108 6.455 -0.280 1.00 0.00 C ATOM 357 C ASP A 28 -17.120 5.981 0.781 1.00 0.00 C ATOM 358 O ASP A 28 -17.316 6.213 1.974 1.00 0.00 O ATOM 359 CB ASP A 28 -17.650 7.793 -0.861 1.00 0.00 C ATOM 360 CG ASP A 28 -17.979 8.962 0.047 1.00 0.00 C ATOM 361 OD1 ASP A 28 -17.404 9.033 1.154 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.812 9.805 -0.348 1.00 0.00 O ATOM 0 H ASP A 28 -19.538 7.278 1.014 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.139 5.713 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.574 7.762 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.123 7.946 -1.831 1.00 0.00 H new ATOM 367 N PHE A 29 -16.058 5.316 0.339 1.00 0.00 N ATOM 368 CA PHE A 29 -15.040 4.808 1.251 1.00 0.00 C ATOM 369 C PHE A 29 -13.709 4.618 0.529 1.00 0.00 C ATOM 370 O PHE A 29 -13.667 4.128 -0.600 1.00 0.00 O ATOM 371 CB PHE A 29 -15.493 3.482 1.867 1.00 0.00 C ATOM 372 CG PHE A 29 -15.401 2.319 0.920 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.201 1.652 0.735 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.516 1.893 0.216 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.114 0.583 -0.136 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.435 0.823 -0.656 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.233 0.167 -0.831 1.00 0.00 C ATOM 0 H PHE A 29 -15.880 5.116 -0.645 1.00 0.00 H new ATOM 0 HA PHE A 29 -14.901 5.541 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.885 3.273 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.523 3.582 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.324 1.971 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.459 2.402 0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.172 0.073 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.311 0.501 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.168 -0.670 -1.510 1.00 0.00 H new ATOM 387 N VAL A 30 -12.624 5.009 1.189 1.00 0.00 N ATOM 388 CA VAL A 30 -11.291 4.882 0.611 1.00 0.00 C ATOM 389 C VAL A 30 -10.393 4.015 1.486 1.00 0.00 C ATOM 390 O VAL A 30 -9.827 4.486 2.474 1.00 0.00 O ATOM 391 CB VAL A 30 -10.628 6.260 0.421 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.722 7.079 1.700 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.179 6.098 -0.012 1.00 0.00 C ATOM 0 H VAL A 30 -12.641 5.416 2.124 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.412 4.408 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.161 6.795 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.249 8.049 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.770 7.224 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.215 6.551 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.726 7.081 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.631 5.544 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.140 5.553 -0.955 1.00 0.00 H new ATOM 403 N LEU A 31 -10.267 2.745 1.118 1.00 0.00 N ATOM 404 CA LEU A 31 -9.437 1.809 1.869 1.00 0.00 C ATOM 405 C LEU A 31 -8.029 2.365 2.063 1.00 0.00 C ATOM 406 O LEU A 31 -7.249 2.446 1.116 1.00 0.00 O ATOM 407 CB LEU A 31 -9.371 0.462 1.148 1.00 0.00 C ATOM 408 CG LEU A 31 -10.710 -0.234 0.902 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.608 -1.185 -0.280 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.162 -0.977 2.150 1.00 0.00 C ATOM 0 H LEU A 31 -10.729 2.339 0.304 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.890 1.666 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.880 0.611 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.737 -0.208 1.729 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.455 0.526 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.570 -1.671 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.331 -0.626 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.850 -1.940 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.117 -1.466 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.417 -1.727 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.276 -0.271 2.972 1.00 0.00 H new ATOM 422 N GLN A 32 -7.713 2.743 3.298 1.00 0.00 N ATOM 423 CA GLN A 32 -6.399 3.289 3.615 1.00 0.00 C ATOM 424 C GLN A 32 -5.567 2.283 4.404 1.00 0.00 C ATOM 425 O GLN A 32 -6.066 1.640 5.328 1.00 0.00 O ATOM 426 CB GLN A 32 -6.541 4.587 4.413 1.00 0.00 C ATOM 427 CG GLN A 32 -5.222 5.303 4.650 1.00 0.00 C ATOM 428 CD GLN A 32 -5.265 6.223 5.854 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.320 6.429 6.455 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.116 6.782 6.215 1.00 0.00 N ATOM 0 H GLN A 32 -8.348 2.681 4.094 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.886 3.501 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.218 5.257 3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.001 4.363 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.432 4.565 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.963 5.883 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.265 6.584 5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.084 7.409 7.019 1.00 0.00 H new ATOM 439 N CYS A 33 -4.299 2.151 4.032 1.00 0.00 N ATOM 440 CA CYS A 33 -3.398 1.221 4.704 1.00 0.00 C ATOM 441 C CYS A 33 -1.958 1.723 4.648 1.00 0.00 C ATOM 442 O CYS A 33 -1.605 2.531 3.789 1.00 0.00 O ATOM 443 CB CYS A 33 -3.493 -0.165 4.066 1.00 0.00 C ATOM 444 SG CYS A 33 -3.109 -0.192 2.299 1.00 0.00 S ATOM 0 H CYS A 33 -3.871 2.676 3.269 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.700 1.153 5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.812 -0.840 4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.501 -0.553 4.214 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.215 -1.408 1.851 1.00 0.00 H new ATOM 450 N SER A 34 -1.133 1.240 5.571 1.00 0.00 N ATOM 451 CA SER A 34 0.267 1.643 5.631 1.00 0.00 C ATOM 452 C SER A 34 1.183 0.485 5.248 1.00 0.00 C ATOM 453 O SER A 34 0.998 -0.645 5.700 1.00 0.00 O ATOM 454 CB SER A 34 0.617 2.142 7.034 1.00 0.00 C ATOM 455 OG SER A 34 1.832 2.871 7.028 1.00 0.00 O ATOM 0 H SER A 34 -1.410 0.569 6.288 1.00 0.00 H new ATOM 0 HA SER A 34 0.416 2.453 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.188 2.774 7.410 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.701 1.294 7.714 1.00 0.00 H new ATOM 0 HG SER A 34 2.032 3.180 7.936 1.00 0.00 H new ATOM 461 N VAL A 35 2.173 0.774 4.409 1.00 0.00 N ATOM 462 CA VAL A 35 3.120 -0.242 3.965 1.00 0.00 C ATOM 463 C VAL A 35 4.498 0.361 3.718 1.00 0.00 C ATOM 464 O VAL A 35 4.641 1.319 2.959 1.00 0.00 O ATOM 465 CB VAL A 35 2.637 -0.934 2.676 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.238 0.098 1.633 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.713 -1.863 2.135 1.00 0.00 C ATOM 0 H VAL A 35 2.340 1.703 4.023 1.00 0.00 H new ATOM 0 HA VAL A 35 3.188 -0.981 4.763 1.00 0.00 H new ATOM 0 HB VAL A 35 1.758 -1.533 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.900 -0.410 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.432 0.718 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.096 0.727 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.355 -2.343 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.612 -1.288 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.945 -2.624 2.880 1.00 0.00 H new ATOM 477 N ARG A 36 5.511 -0.207 4.365 1.00 0.00 N ATOM 478 CA ARG A 36 6.879 0.275 4.217 1.00 0.00 C ATOM 479 C ARG A 36 7.647 -0.571 3.205 1.00 0.00 C ATOM 480 O ARG A 36 7.106 -1.517 2.634 1.00 0.00 O ATOM 481 CB ARG A 36 7.599 0.253 5.566 1.00 0.00 C ATOM 482 CG ARG A 36 6.854 0.992 6.666 1.00 0.00 C ATOM 483 CD ARG A 36 7.248 0.484 8.044 1.00 0.00 C ATOM 484 NE ARG A 36 6.697 -0.841 8.317 1.00 0.00 N ATOM 485 CZ ARG A 36 7.091 -1.606 9.329 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.033 -1.180 10.159 1.00 0.00 N ATOM 487 NH2 ARG A 36 6.543 -2.800 9.512 1.00 0.00 N ATOM 0 H ARG A 36 5.410 -1.001 4.997 1.00 0.00 H new ATOM 0 HA ARG A 36 6.838 1.301 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.748 -0.783 5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.588 0.696 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.065 2.059 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.780 0.870 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.335 0.447 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.899 1.185 8.802 1.00 0.00 H new ATOM 0 HE ARG A 36 5.970 -1.198 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.457 -0.263 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.333 -1.770 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.818 -3.132 8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.846 -3.387 10.289 1.00 0.00 H new ATOM 501 N GLY A 37 8.911 -0.222 2.988 1.00 0.00 N ATOM 502 CA GLY A 37 9.732 -0.958 2.044 1.00 0.00 C ATOM 503 C GLY A 37 10.645 -0.053 1.240 1.00 0.00 C ATOM 504 O GLY A 37 10.488 1.169 1.251 1.00 0.00 O ATOM 0 H GLY A 37 9.381 0.557 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.334 -1.689 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.088 -1.515 1.364 1.00 0.00 H new ATOM 508 N THR A 38 11.604 -0.652 0.541 1.00 0.00 N ATOM 509 CA THR A 38 12.547 0.108 -0.270 1.00 0.00 C ATOM 510 C THR A 38 13.242 -0.788 -1.289 1.00 0.00 C ATOM 511 O THR A 38 13.904 -1.766 -0.942 1.00 0.00 O ATOM 512 CB THR A 38 13.613 0.795 0.604 1.00 0.00 C ATOM 513 OG1 THR A 38 12.983 1.507 1.676 1.00 0.00 O ATOM 514 CG2 THR A 38 14.454 1.755 -0.223 1.00 0.00 C ATOM 0 H THR A 38 11.748 -1.662 0.520 1.00 0.00 H new ATOM 0 HA THR A 38 11.971 0.871 -0.794 1.00 0.00 H new ATOM 0 HB THR A 38 14.266 0.025 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.065 1.736 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.200 2.228 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.955 1.206 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.811 2.520 -0.658 1.00 0.00 H new ATOM 522 N PRO A 39 13.090 -0.447 -2.577 1.00 0.00 N ATOM 523 CA PRO A 39 12.304 0.715 -3.002 1.00 0.00 C ATOM 524 C PRO A 39 10.809 0.517 -2.777 1.00 0.00 C ATOM 525 O PRO A 39 10.333 -0.612 -2.657 1.00 0.00 O ATOM 526 CB PRO A 39 12.610 0.822 -4.498 1.00 0.00 C ATOM 527 CG PRO A 39 12.987 -0.559 -4.908 1.00 0.00 C ATOM 528 CD PRO A 39 13.674 -1.171 -3.719 1.00 0.00 C ATOM 0 HA PRO A 39 12.561 1.610 -2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.743 1.177 -5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.420 1.526 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.107 -1.136 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.648 -0.542 -5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.486 -2.243 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.755 -1.039 -3.768 1.00 0.00 H new ATOM 536 N VAL A 40 10.072 1.622 -2.721 1.00 0.00 N ATOM 537 CA VAL A 40 8.630 1.570 -2.512 1.00 0.00 C ATOM 538 C VAL A 40 8.004 0.417 -3.288 1.00 0.00 C ATOM 539 O VAL A 40 8.218 0.255 -4.489 1.00 0.00 O ATOM 540 CB VAL A 40 7.954 2.887 -2.936 1.00 0.00 C ATOM 541 CG1 VAL A 40 7.616 2.861 -4.419 1.00 0.00 C ATOM 542 CG2 VAL A 40 6.707 3.137 -2.101 1.00 0.00 C ATOM 0 H VAL A 40 10.450 2.564 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 40 8.470 1.415 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 40 8.652 3.706 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.139 3.800 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.530 2.731 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.936 2.034 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.241 4.072 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.004 2.316 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.981 3.202 -1.048 1.00 0.00 H new ATOM 552 N PRO A 41 7.210 -0.406 -2.586 1.00 0.00 N ATOM 553 CA PRO A 41 6.535 -1.559 -3.189 1.00 0.00 C ATOM 554 C PRO A 41 5.423 -1.144 -4.147 1.00 0.00 C ATOM 555 O PRO A 41 4.850 -0.063 -4.017 1.00 0.00 O ATOM 556 CB PRO A 41 5.953 -2.300 -1.983 1.00 0.00 C ATOM 557 CG PRO A 41 5.788 -1.251 -0.938 1.00 0.00 C ATOM 558 CD PRO A 41 6.911 -0.274 -1.151 1.00 0.00 C ATOM 0 HA PRO A 41 7.216 -2.162 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.000 -2.768 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.620 -3.093 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.820 -0.759 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.832 -1.685 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.613 0.743 -0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.777 -0.517 -0.536 1.00 0.00 H new ATOM 566 N ARG A 42 5.123 -2.011 -5.109 1.00 0.00 N ATOM 567 CA ARG A 42 4.080 -1.733 -6.089 1.00 0.00 C ATOM 568 C ARG A 42 2.695 -1.933 -5.481 1.00 0.00 C ATOM 569 O ARG A 42 2.430 -2.950 -4.839 1.00 0.00 O ATOM 570 CB ARG A 42 4.247 -2.637 -7.312 1.00 0.00 C ATOM 571 CG ARG A 42 5.311 -2.156 -8.285 1.00 0.00 C ATOM 572 CD ARG A 42 6.708 -2.315 -7.705 1.00 0.00 C ATOM 573 NE ARG A 42 7.723 -2.440 -8.749 1.00 0.00 N ATOM 574 CZ ARG A 42 7.857 -3.514 -9.518 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.045 -4.551 -9.363 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.804 -3.552 -10.446 1.00 0.00 N ATOM 0 H ARG A 42 5.587 -2.911 -5.230 1.00 0.00 H new ATOM 0 HA ARG A 42 4.175 -0.692 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.501 -3.643 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.293 -2.706 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.236 -2.719 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.135 -1.109 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.939 -1.456 -7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.736 -3.196 -7.064 1.00 0.00 H new ATOM 0 HE ARG A 42 8.363 -1.660 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.315 -4.525 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.151 -5.375 -9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.430 -2.756 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.907 -4.377 -11.037 1.00 0.00 H new ATOM 590 N ILE A 43 1.818 -0.957 -5.686 1.00 0.00 N ATOM 591 CA ILE A 43 0.461 -1.026 -5.159 1.00 0.00 C ATOM 592 C ILE A 43 -0.516 -1.522 -6.219 1.00 0.00 C ATOM 593 O ILE A 43 -0.822 -0.814 -7.179 1.00 0.00 O ATOM 594 CB ILE A 43 -0.012 0.346 -4.642 1.00 0.00 C ATOM 595 CG1 ILE A 43 0.969 0.890 -3.602 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.410 0.235 -4.052 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.334 -0.115 -2.531 1.00 0.00 C ATOM 0 H ILE A 43 2.023 -0.108 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 43 0.480 -1.731 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.046 1.042 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.878 1.216 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.534 1.770 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.731 1.212 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.102 -0.114 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.400 -0.473 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.033 0.339 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.434 -0.423 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.799 -0.986 -2.993 1.00 0.00 H new ATOM 609 N THR A 44 -1.006 -2.745 -6.038 1.00 0.00 N ATOM 610 CA THR A 44 -1.950 -3.337 -6.977 1.00 0.00 C ATOM 611 C THR A 44 -3.151 -3.930 -6.250 1.00 0.00 C ATOM 612 O THR A 44 -3.022 -4.909 -5.515 1.00 0.00 O ATOM 613 CB THR A 44 -1.283 -4.436 -7.826 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.154 -3.899 -8.524 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.270 -5.023 -8.823 1.00 0.00 C ATOM 0 H THR A 44 -0.764 -3.345 -5.249 1.00 0.00 H new ATOM 0 HA THR A 44 -2.287 -2.535 -7.634 1.00 0.00 H new ATOM 0 HB THR A 44 -0.951 -5.230 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.265 -4.604 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.776 -5.797 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.114 -5.457 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.628 -4.236 -9.487 1.00 0.00 H new ATOM 623 N TRP A 45 -4.318 -3.332 -6.460 1.00 0.00 N ATOM 624 CA TRP A 45 -5.543 -3.803 -5.824 1.00 0.00 C ATOM 625 C TRP A 45 -6.268 -4.805 -6.715 1.00 0.00 C ATOM 626 O TRP A 45 -6.463 -4.565 -7.907 1.00 0.00 O ATOM 627 CB TRP A 45 -6.464 -2.623 -5.508 1.00 0.00 C ATOM 628 CG TRP A 45 -5.848 -1.620 -4.581 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.873 -0.713 -4.885 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.163 -1.424 -3.198 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.564 0.035 -3.774 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.342 -0.381 -2.727 1.00 0.00 C ATOM 633 CE3 TRP A 45 -7.061 -2.027 -2.312 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.392 0.068 -1.410 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -7.109 -1.580 -1.006 1.00 0.00 C ATOM 636 CH2 TRP A 45 -6.280 -0.540 -0.565 1.00 0.00 C ATOM 0 H TRP A 45 -4.442 -2.520 -7.065 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.271 -4.302 -4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.738 -2.126 -6.439 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.385 -2.999 -5.064 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.413 -0.600 -5.855 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.868 0.779 -3.736 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.706 -2.828 -2.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.752 0.868 -1.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.797 -2.040 -0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.343 -0.212 0.462 1.00 0.00 H new ATOM 647 N LEU A 46 -6.667 -5.930 -6.130 1.00 0.00 N ATOM 648 CA LEU A 46 -7.372 -6.970 -6.872 1.00 0.00 C ATOM 649 C LEU A 46 -8.710 -7.295 -6.215 1.00 0.00 C ATOM 650 O LEU A 46 -8.803 -7.403 -4.992 1.00 0.00 O ATOM 651 CB LEU A 46 -6.513 -8.233 -6.958 1.00 0.00 C ATOM 652 CG LEU A 46 -5.063 -8.030 -7.401 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.179 -7.713 -6.205 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.552 -9.262 -8.133 1.00 0.00 C ATOM 0 H LEU A 46 -6.514 -6.145 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.563 -6.598 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.509 -8.713 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.990 -8.926 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.028 -7.184 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.151 -7.572 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.532 -6.801 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.219 -8.538 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.519 -9.100 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.602 -10.126 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.169 -9.444 -9.013 1.00 0.00 H new ATOM 666 N LEU A 47 -9.742 -7.451 -7.036 1.00 0.00 N ATOM 667 CA LEU A 47 -11.076 -7.767 -6.536 1.00 0.00 C ATOM 668 C LEU A 47 -11.547 -9.121 -7.057 1.00 0.00 C ATOM 669 O LEU A 47 -11.742 -9.302 -8.258 1.00 0.00 O ATOM 670 CB LEU A 47 -12.068 -6.677 -6.947 1.00 0.00 C ATOM 671 CG LEU A 47 -13.492 -6.829 -6.413 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.541 -6.511 -4.926 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.449 -5.932 -7.183 1.00 0.00 C ATOM 0 H LEU A 47 -9.681 -7.364 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.027 -7.814 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.678 -5.715 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.111 -6.645 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.803 -7.864 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.563 -6.624 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.886 -7.195 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.210 -5.486 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.458 -6.053 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.140 -4.892 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.436 -6.206 -8.238 1.00 0.00 H new ATOM 685 N ASN A 48 -11.728 -10.070 -6.143 1.00 0.00 N ATOM 686 CA ASN A 48 -12.178 -11.408 -6.510 1.00 0.00 C ATOM 687 C ASN A 48 -11.156 -12.098 -7.409 1.00 0.00 C ATOM 688 O ASN A 48 -11.515 -12.755 -8.385 1.00 0.00 O ATOM 689 CB ASN A 48 -13.531 -11.337 -7.220 1.00 0.00 C ATOM 690 CG ASN A 48 -14.601 -10.689 -6.361 1.00 0.00 C ATOM 691 OD1 ASN A 48 -14.674 -10.928 -5.156 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.437 -9.864 -6.981 1.00 0.00 N ATOM 0 H ASN A 48 -11.570 -9.937 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.285 -11.992 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.423 -10.774 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.848 -12.343 -7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.177 -9.399 -6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.339 -9.696 -7.982 1.00 0.00 H new ATOM 699 N GLY A 49 -9.879 -11.943 -7.071 1.00 0.00 N ATOM 700 CA GLY A 49 -8.824 -12.558 -7.856 1.00 0.00 C ATOM 701 C GLY A 49 -8.685 -11.932 -9.230 1.00 0.00 C ATOM 702 O GLY A 49 -8.430 -12.628 -10.212 1.00 0.00 O ATOM 0 H GLY A 49 -9.557 -11.403 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.878 -12.468 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.029 -13.623 -7.964 1.00 0.00 H new ATOM 706 N GLN A 50 -8.855 -10.615 -9.298 1.00 0.00 N ATOM 707 CA GLN A 50 -8.749 -9.897 -10.563 1.00 0.00 C ATOM 708 C GLN A 50 -8.182 -8.498 -10.348 1.00 0.00 C ATOM 709 O GLN A 50 -8.628 -7.747 -9.480 1.00 0.00 O ATOM 710 CB GLN A 50 -10.118 -9.807 -11.239 1.00 0.00 C ATOM 711 CG GLN A 50 -10.735 -11.162 -11.545 1.00 0.00 C ATOM 712 CD GLN A 50 -12.166 -11.054 -12.035 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.512 -10.135 -12.778 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.006 -11.995 -11.621 1.00 0.00 N ATOM 0 H GLN A 50 -9.066 -10.025 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.068 -10.450 -11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.795 -9.245 -10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.019 -9.244 -12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.134 -11.669 -12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.708 -11.780 -10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.676 -12.738 -11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.981 -11.975 -11.918 1.00 0.00 H new ATOM 723 N PRO A 51 -7.173 -8.137 -11.156 1.00 0.00 N ATOM 724 CA PRO A 51 -6.524 -6.825 -11.073 1.00 0.00 C ATOM 725 C PRO A 51 -7.434 -5.697 -11.544 1.00 0.00 C ATOM 726 O PRO A 51 -8.064 -5.793 -12.598 1.00 0.00 O ATOM 727 CB PRO A 51 -5.320 -6.966 -12.008 1.00 0.00 C ATOM 728 CG PRO A 51 -5.715 -8.027 -12.977 1.00 0.00 C ATOM 729 CD PRO A 51 -6.590 -8.981 -12.212 1.00 0.00 C ATOM 0 HA PRO A 51 -6.258 -6.566 -10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.102 -6.027 -12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.422 -7.247 -11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.251 -7.601 -13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.838 -8.537 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.360 -9.418 -12.848 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.015 -9.807 -11.794 1.00 0.00 H new ATOM 737 N ILE A 52 -7.500 -4.628 -10.756 1.00 0.00 N ATOM 738 CA ILE A 52 -8.333 -3.481 -11.094 1.00 0.00 C ATOM 739 C ILE A 52 -7.560 -2.468 -11.932 1.00 0.00 C ATOM 740 O ILE A 52 -6.391 -2.191 -11.665 1.00 0.00 O ATOM 741 CB ILE A 52 -8.868 -2.782 -9.830 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.301 -3.820 -8.793 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.028 -1.863 -10.184 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.485 -3.246 -7.405 1.00 0.00 C ATOM 0 H ILE A 52 -6.987 -4.533 -9.880 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.174 -3.862 -11.673 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.069 -2.177 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.237 -4.276 -9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.556 -4.615 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.395 -1.376 -9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.690 -1.106 -10.892 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.831 -2.447 -10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.792 -4.038 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.544 -2.815 -7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.251 -2.471 -7.430 1.00 0.00 H new ATOM 756 N GLN A 53 -8.221 -1.918 -12.945 1.00 0.00 N ATOM 757 CA GLN A 53 -7.596 -0.935 -13.822 1.00 0.00 C ATOM 758 C GLN A 53 -8.119 0.467 -13.527 1.00 0.00 C ATOM 759 O GLN A 53 -7.345 1.419 -13.420 1.00 0.00 O ATOM 760 CB GLN A 53 -7.853 -1.290 -15.287 1.00 0.00 C ATOM 761 CG GLN A 53 -9.326 -1.462 -15.622 1.00 0.00 C ATOM 762 CD GLN A 53 -9.551 -1.890 -17.059 1.00 0.00 C ATOM 763 OE1 GLN A 53 -8.624 -1.895 -17.870 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.787 -2.253 -17.382 1.00 0.00 N ATOM 0 H GLN A 53 -9.189 -2.136 -13.179 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.522 -0.950 -13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.434 -0.508 -15.921 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.324 -2.213 -15.527 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.763 -2.204 -14.953 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.848 -0.523 -15.441 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.525 -2.234 -16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.999 -2.551 -18.334 1.00 0.00 H new ATOM 773 N TYR A 54 -9.435 0.587 -13.397 1.00 0.00 N ATOM 774 CA TYR A 54 -10.062 1.874 -13.118 1.00 0.00 C ATOM 775 C TYR A 54 -9.772 2.322 -11.688 1.00 0.00 C ATOM 776 O TYR A 54 -10.219 3.384 -11.256 1.00 0.00 O ATOM 777 CB TYR A 54 -11.573 1.788 -13.341 1.00 0.00 C ATOM 778 CG TYR A 54 -12.207 0.561 -12.727 1.00 0.00 C ATOM 779 CD1 TYR A 54 -12.280 -0.634 -13.432 1.00 0.00 C ATOM 780 CD2 TYR A 54 -12.732 0.595 -11.441 1.00 0.00 C ATOM 781 CE1 TYR A 54 -12.860 -1.758 -12.875 1.00 0.00 C ATOM 782 CE2 TYR A 54 -13.311 -0.524 -10.875 1.00 0.00 C ATOM 783 CZ TYR A 54 -13.373 -1.698 -11.597 1.00 0.00 C ATOM 784 OH TYR A 54 -13.950 -2.815 -11.038 1.00 0.00 O ATOM 0 H TYR A 54 -10.089 -0.191 -13.480 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.642 2.611 -13.803 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.045 2.678 -12.924 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -11.775 1.793 -14.412 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.877 -0.685 -14.432 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.687 1.513 -10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.911 -2.678 -13.438 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.713 -0.480 -9.873 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.260 -2.605 -10.133 1.00 0.00 H new ATOM 794 N ALA A 55 -9.020 1.504 -10.960 1.00 0.00 N ATOM 795 CA ALA A 55 -8.667 1.815 -9.580 1.00 0.00 C ATOM 796 C ALA A 55 -7.750 3.032 -9.510 1.00 0.00 C ATOM 797 O ALA A 55 -6.584 2.965 -9.901 1.00 0.00 O ATOM 798 CB ALA A 55 -8.006 0.614 -8.920 1.00 0.00 C ATOM 0 H ALA A 55 -8.643 0.620 -11.303 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.584 2.052 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.748 0.861 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.695 -0.231 -8.929 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.101 0.350 -9.467 1.00 0.00 H new ATOM 804 N ARG A 56 -8.284 4.141 -9.010 1.00 0.00 N ATOM 805 CA ARG A 56 -7.513 5.373 -8.890 1.00 0.00 C ATOM 806 C ARG A 56 -6.700 5.382 -7.599 1.00 0.00 C ATOM 807 O ARG A 56 -6.607 6.405 -6.919 1.00 0.00 O ATOM 808 CB ARG A 56 -8.443 6.587 -8.929 1.00 0.00 C ATOM 809 CG ARG A 56 -9.019 6.869 -10.307 1.00 0.00 C ATOM 810 CD ARG A 56 -10.074 7.964 -10.256 1.00 0.00 C ATOM 811 NE ARG A 56 -11.038 7.846 -11.347 1.00 0.00 N ATOM 812 CZ ARG A 56 -11.957 8.766 -11.618 1.00 0.00 C ATOM 813 NH1 ARG A 56 -12.037 9.865 -10.881 1.00 0.00 N ATOM 814 NH2 ARG A 56 -12.799 8.587 -12.628 1.00 0.00 N ATOM 0 H ARG A 56 -9.247 4.212 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.824 5.425 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.262 6.429 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.895 7.465 -8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.218 7.165 -10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.458 5.958 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.599 7.918 -9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.588 8.938 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.004 7.012 -11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.392 10.006 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.744 10.570 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.741 7.742 -13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.504 9.294 -12.835 1.00 0.00 H new ATOM 828 N SER A 57 -6.113 4.237 -7.267 1.00 0.00 N ATOM 829 CA SER A 57 -5.312 4.112 -6.055 1.00 0.00 C ATOM 830 C SER A 57 -4.178 5.133 -6.046 1.00 0.00 C ATOM 831 O SER A 57 -3.524 5.362 -7.064 1.00 0.00 O ATOM 832 CB SER A 57 -4.741 2.697 -5.940 1.00 0.00 C ATOM 833 OG SER A 57 -3.921 2.386 -7.053 1.00 0.00 O ATOM 0 H SER A 57 -6.177 3.382 -7.820 1.00 0.00 H new ATOM 0 HA SER A 57 -5.959 4.306 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.161 2.609 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.556 1.977 -5.873 1.00 0.00 H new ATOM 0 HG SER A 57 -3.567 1.477 -6.955 1.00 0.00 H new ATOM 839 N THR A 58 -3.951 5.745 -4.888 1.00 0.00 N ATOM 840 CA THR A 58 -2.898 6.742 -4.744 1.00 0.00 C ATOM 841 C THR A 58 -2.072 6.493 -3.488 1.00 0.00 C ATOM 842 O THR A 58 -2.569 6.633 -2.369 1.00 0.00 O ATOM 843 CB THR A 58 -3.478 8.168 -4.689 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.481 8.250 -3.670 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.078 8.560 -6.031 1.00 0.00 C ATOM 0 H THR A 58 -4.483 5.567 -4.036 1.00 0.00 H new ATOM 0 HA THR A 58 -2.256 6.652 -5.621 1.00 0.00 H new ATOM 0 HB THR A 58 -2.667 8.858 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.222 7.688 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.481 9.571 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.305 8.525 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.878 7.866 -6.289 1.00 0.00 H new ATOM 853 N CYS A 59 -0.810 6.125 -3.678 1.00 0.00 N ATOM 854 CA CYS A 59 0.085 5.856 -2.558 1.00 0.00 C ATOM 855 C CYS A 59 1.004 7.046 -2.299 1.00 0.00 C ATOM 856 O CYS A 59 1.863 7.368 -3.119 1.00 0.00 O ATOM 857 CB CYS A 59 0.918 4.604 -2.834 1.00 0.00 C ATOM 858 SG CYS A 59 2.231 4.310 -1.626 1.00 0.00 S ATOM 0 H CYS A 59 -0.383 6.006 -4.597 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.524 5.690 -1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.257 3.738 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.363 4.688 -3.825 1.00 0.00 H new ATOM 0 HG CYS A 59 2.878 3.228 -1.943 1.00 0.00 H new ATOM 864 N GLU A 60 0.815 7.695 -1.155 1.00 0.00 N ATOM 865 CA GLU A 60 1.626 8.851 -0.790 1.00 0.00 C ATOM 866 C GLU A 60 2.391 8.591 0.505 1.00 0.00 C ATOM 867 O GLU A 60 1.822 8.129 1.493 1.00 0.00 O ATOM 868 CB GLU A 60 0.744 10.091 -0.633 1.00 0.00 C ATOM 869 CG GLU A 60 0.432 10.786 -1.948 1.00 0.00 C ATOM 870 CD GLU A 60 -0.280 9.879 -2.933 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.375 9.381 -2.595 1.00 0.00 O ATOM 872 OE2 GLU A 60 0.257 9.666 -4.040 1.00 0.00 O ATOM 0 H GLU A 60 0.108 7.441 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 60 2.346 9.025 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.191 9.803 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.240 10.797 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.187 11.662 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.360 11.144 -2.395 1.00 0.00 H new ATOM 879 N ALA A 61 3.686 8.892 0.490 1.00 0.00 N ATOM 880 CA ALA A 61 4.530 8.693 1.661 1.00 0.00 C ATOM 881 C ALA A 61 4.301 7.316 2.276 1.00 0.00 C ATOM 882 O ALA A 61 4.253 7.170 3.496 1.00 0.00 O ATOM 883 CB ALA A 61 4.269 9.782 2.691 1.00 0.00 C ATOM 0 H ALA A 61 4.173 9.275 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 61 5.571 8.751 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.906 9.621 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.490 10.756 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.223 9.750 2.997 1.00 0.00 H new ATOM 889 N GLY A 62 4.159 6.308 1.421 1.00 0.00 N ATOM 890 CA GLY A 62 3.935 4.956 1.899 1.00 0.00 C ATOM 891 C GLY A 62 2.528 4.752 2.425 1.00 0.00 C ATOM 892 O GLY A 62 2.294 3.894 3.277 1.00 0.00 O ATOM 0 H GLY A 62 4.195 6.403 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.122 4.252 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.651 4.730 2.689 1.00 0.00 H new ATOM 896 N VAL A 63 1.588 5.544 1.919 1.00 0.00 N ATOM 897 CA VAL A 63 0.197 5.447 2.344 1.00 0.00 C ATOM 898 C VAL A 63 -0.712 5.089 1.173 1.00 0.00 C ATOM 899 O VAL A 63 -1.199 5.967 0.462 1.00 0.00 O ATOM 900 CB VAL A 63 -0.291 6.765 2.974 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.751 6.653 3.385 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.579 7.141 4.164 1.00 0.00 C ATOM 0 H VAL A 63 1.765 6.260 1.214 1.00 0.00 H new ATOM 0 HA VAL A 63 0.149 4.656 3.092 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.208 7.556 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.077 7.594 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.360 6.434 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.863 5.851 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.220 8.075 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.531 6.351 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.611 7.267 3.835 1.00 0.00 H new ATOM 912 N ALA A 64 -0.935 3.793 0.980 1.00 0.00 N ATOM 913 CA ALA A 64 -1.788 3.319 -0.103 1.00 0.00 C ATOM 914 C ALA A 64 -3.259 3.573 0.204 1.00 0.00 C ATOM 915 O ALA A 64 -3.740 3.248 1.289 1.00 0.00 O ATOM 916 CB ALA A 64 -1.547 1.837 -0.354 1.00 0.00 C ATOM 0 H ALA A 64 -0.537 3.053 1.559 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.532 3.876 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.190 1.496 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.504 1.679 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.774 1.273 0.551 1.00 0.00 H new ATOM 922 N GLU A 65 -3.968 4.157 -0.757 1.00 0.00 N ATOM 923 CA GLU A 65 -5.385 4.455 -0.586 1.00 0.00 C ATOM 924 C GLU A 65 -6.153 4.209 -1.882 1.00 0.00 C ATOM 925 O GLU A 65 -5.698 4.576 -2.966 1.00 0.00 O ATOM 926 CB GLU A 65 -5.572 5.906 -0.137 1.00 0.00 C ATOM 927 CG GLU A 65 -4.739 6.280 1.077 1.00 0.00 C ATOM 928 CD GLU A 65 -5.269 7.507 1.793 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.498 7.586 2.002 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.457 8.388 2.143 1.00 0.00 O ATOM 0 H GLU A 65 -3.585 4.433 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.780 3.790 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.313 6.569 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.625 6.074 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.718 5.440 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.711 6.462 0.765 1.00 0.00 H new ATOM 937 N LEU A 66 -7.319 3.584 -1.761 1.00 0.00 N ATOM 938 CA LEU A 66 -8.151 3.287 -2.922 1.00 0.00 C ATOM 939 C LEU A 66 -9.537 3.907 -2.771 1.00 0.00 C ATOM 940 O LEU A 66 -10.422 3.328 -2.140 1.00 0.00 O ATOM 941 CB LEU A 66 -8.274 1.775 -3.113 1.00 0.00 C ATOM 942 CG LEU A 66 -9.192 1.313 -4.245 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.486 1.431 -5.587 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.655 -0.117 -4.008 1.00 0.00 C ATOM 0 H LEU A 66 -7.710 3.273 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.673 3.720 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.278 1.370 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.633 1.339 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.070 1.959 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.155 1.098 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.206 2.470 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.590 0.810 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.307 -0.428 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.789 -0.777 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.201 -0.171 -3.066 1.00 0.00 H new ATOM 956 N HIS A 67 -9.720 5.086 -3.357 1.00 0.00 N ATOM 957 CA HIS A 67 -10.999 5.783 -3.290 1.00 0.00 C ATOM 958 C HIS A 67 -12.065 5.040 -4.090 1.00 0.00 C ATOM 959 O HIS A 67 -11.909 4.816 -5.291 1.00 0.00 O ATOM 960 CB HIS A 67 -10.854 7.212 -3.814 1.00 0.00 C ATOM 961 CG HIS A 67 -10.013 8.089 -2.939 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.536 9.102 -2.164 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.678 8.098 -2.717 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.559 9.699 -1.505 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.421 9.108 -1.822 1.00 0.00 N ATOM 0 H HIS A 67 -8.999 5.579 -3.884 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.312 5.818 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.416 7.182 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.845 7.656 -3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.950 7.435 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.672 10.529 -0.823 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.501 9.360 -1.461 1.00 0.00 H new ATOM 974 N ILE A 68 -13.146 4.660 -3.417 1.00 0.00 N ATOM 975 CA ILE A 68 -14.236 3.944 -4.066 1.00 0.00 C ATOM 976 C ILE A 68 -15.570 4.646 -3.835 1.00 0.00 C ATOM 977 O ILE A 68 -16.208 4.462 -2.799 1.00 0.00 O ATOM 978 CB ILE A 68 -14.338 2.493 -3.558 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.005 1.767 -3.752 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.458 1.757 -4.277 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.575 1.671 -5.199 1.00 0.00 C ATOM 0 H ILE A 68 -13.290 4.836 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.014 3.932 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.568 2.512 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.232 2.286 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.084 0.762 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.517 0.733 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.405 2.265 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.256 1.744 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.623 1.145 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.329 1.126 -5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.463 2.673 -5.613 1.00 0.00 H new ATOM 993 N GLN A 69 -15.986 5.449 -4.809 1.00 0.00 N ATOM 994 CA GLN A 69 -17.245 6.178 -4.712 1.00 0.00 C ATOM 995 C GLN A 69 -18.412 5.313 -5.176 1.00 0.00 C ATOM 996 O GLN A 69 -18.231 4.368 -5.945 1.00 0.00 O ATOM 997 CB GLN A 69 -17.182 7.459 -5.545 1.00 0.00 C ATOM 998 CG GLN A 69 -16.943 7.212 -7.026 1.00 0.00 C ATOM 999 CD GLN A 69 -15.470 7.153 -7.377 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -14.991 5.965 -7.727 1.00 0.00 O flip ATOM 1001 NE2 GLN A 69 -14.769 8.165 -7.334 1.00 0.00 N flip ATOM 0 H GLN A 69 -15.470 5.611 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.404 6.440 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.116 8.008 -5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.386 8.095 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.419 6.275 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.419 8.004 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.179 9.058 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.779 8.110 -7.573 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.610 5.641 -4.703 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.807 4.894 -5.070 1.00 0.00 C ATOM 1012 C ASP A 70 -20.685 3.432 -4.653 1.00 0.00 C ATOM 1013 O ASP A 70 -20.869 2.527 -5.466 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.052 4.989 -6.577 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.688 6.305 -6.979 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -21.058 7.361 -6.757 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.815 6.279 -7.515 1.00 0.00 O ATOM 0 H ASP A 70 -19.777 6.419 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.654 5.333 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.105 4.871 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.696 4.167 -6.890 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.371 3.209 -3.381 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.225 1.857 -2.856 1.00 0.00 C ATOM 1024 C ALA A 71 -21.472 1.024 -3.129 1.00 0.00 C ATOM 1025 O ALA A 71 -22.427 1.043 -2.352 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.933 1.899 -1.363 1.00 0.00 C ATOM 0 H ALA A 71 -20.213 3.947 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.386 1.385 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.826 0.882 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.009 2.450 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.754 2.395 -0.845 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.458 0.293 -4.239 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.590 -0.547 -4.616 1.00 0.00 C ATOM 1034 C LEU A 72 -22.513 -1.905 -3.925 1.00 0.00 C ATOM 1035 O LEU A 72 -21.441 -2.375 -3.543 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.627 -0.736 -6.133 1.00 0.00 C ATOM 1037 CG LEU A 72 -23.043 0.487 -6.951 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.789 0.251 -8.432 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.508 0.820 -6.706 1.00 0.00 C ATOM 0 H LEU A 72 -20.676 0.265 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.504 -0.048 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.637 -1.050 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.313 -1.551 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.439 1.336 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.091 1.132 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.728 0.062 -8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.366 -0.611 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.786 1.693 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -25.128 -0.028 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.661 1.034 -5.648 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.676 -2.553 -3.762 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.767 -3.867 -3.119 1.00 0.00 C ATOM 1053 C PRO A 73 -23.159 -4.974 -3.974 1.00 0.00 C ATOM 1054 O PRO A 73 -22.945 -6.089 -3.501 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.275 -4.081 -2.962 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.890 -3.247 -4.032 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.992 -2.052 -4.193 1.00 0.00 C ATOM 0 HA PRO A 73 -23.217 -3.899 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.540 -5.132 -3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.618 -3.773 -1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.968 -3.805 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.900 -2.942 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.970 -1.702 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.324 -1.215 -3.579 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.882 -4.656 -5.235 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.298 -5.625 -6.155 1.00 0.00 C ATOM 1067 C GLU A 74 -20.788 -5.434 -6.261 1.00 0.00 C ATOM 1068 O GLU A 74 -20.096 -6.216 -6.914 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.937 -5.497 -7.539 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.438 -4.302 -8.332 1.00 0.00 C ATOM 1071 CD GLU A 74 -23.322 -3.979 -9.521 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -24.560 -4.070 -9.382 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -22.776 -3.634 -10.590 1.00 0.00 O ATOM 0 H GLU A 74 -23.052 -3.736 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.494 -6.623 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.740 -6.407 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.018 -5.421 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.385 -3.433 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.425 -4.500 -8.681 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.283 -4.389 -5.614 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.855 -4.093 -5.634 1.00 0.00 C ATOM 1082 C ASP A 75 -18.141 -4.786 -4.478 1.00 0.00 C ATOM 1083 O ASP A 75 -16.954 -5.101 -4.568 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.624 -2.583 -5.562 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.659 -1.926 -6.928 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -18.018 -2.458 -7.859 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -19.327 -0.880 -7.066 1.00 0.00 O ATOM 0 H ASP A 75 -20.842 -3.732 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.443 -4.470 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.385 -2.132 -4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.660 -2.388 -5.093 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.871 -5.019 -3.392 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.307 -5.674 -2.217 1.00 0.00 C ATOM 1094 C HIS A 76 -17.607 -6.973 -2.604 1.00 0.00 C ATOM 1095 O HIS A 76 -18.153 -7.788 -3.346 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.404 -5.958 -1.190 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.082 -7.279 -1.388 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.817 -7.587 -2.513 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.131 -8.375 -0.596 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.291 -8.815 -2.404 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -20.889 -9.316 -1.250 1.00 0.00 N ATOM 0 H HIS A 76 -19.854 -4.764 -3.301 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.571 -5.003 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -18.971 -5.927 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.150 -5.165 -1.239 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -20.971 -6.964 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -19.662 -8.489 0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.903 -9.323 -3.134 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.392 -7.159 -2.095 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.636 -8.360 -2.399 1.00 0.00 C ATOM 1112 C GLY A 77 -14.442 -8.540 -1.484 1.00 0.00 C ATOM 1113 O GLY A 77 -14.511 -8.238 -0.292 1.00 0.00 O ATOM 0 H GLY A 77 -15.918 -6.499 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.289 -9.228 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.294 -8.319 -3.433 1.00 0.00 H new ATOM 1117 N THR A 78 -13.341 -9.036 -2.041 1.00 0.00 N ATOM 1118 CA THR A 78 -12.126 -9.259 -1.266 1.00 0.00 C ATOM 1119 C THR A 78 -10.946 -8.503 -1.866 1.00 0.00 C ATOM 1120 O THR A 78 -10.315 -8.970 -2.814 1.00 0.00 O ATOM 1121 CB THR A 78 -11.777 -10.757 -1.189 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.882 -11.491 -0.651 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.544 -10.981 -0.326 1.00 0.00 C ATOM 0 H THR A 78 -13.266 -9.291 -3.026 1.00 0.00 H new ATOM 0 HA THR A 78 -12.319 -8.887 -0.260 1.00 0.00 H new ATOM 0 HB THR A 78 -11.564 -11.110 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.652 -12.443 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.316 -12.046 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.697 -10.445 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.734 -10.613 0.682 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.652 -7.335 -1.306 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.547 -6.513 -1.787 1.00 0.00 C ATOM 1133 C TYR A 79 -8.209 -7.063 -1.302 1.00 0.00 C ATOM 1134 O TYR A 79 -8.012 -7.287 -0.108 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.718 -5.067 -1.318 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.738 -4.288 -2.117 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -10.426 -3.781 -3.373 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -12.013 -4.058 -1.616 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -11.355 -3.068 -4.106 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -12.949 -3.347 -2.343 1.00 0.00 C ATOM 1141 CZ TYR A 79 -12.615 -2.854 -3.587 1.00 0.00 C ATOM 1142 OH TYR A 79 -13.543 -2.145 -4.314 1.00 0.00 O ATOM 0 H TYR A 79 -11.163 -6.936 -0.519 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.556 -6.537 -2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.014 -5.067 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.756 -4.558 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.441 -3.947 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.277 -4.441 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.096 -2.680 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.936 -3.178 -1.939 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.379 -2.085 -3.807 1.00 0.00 H new ATOM 1152 N THR A 80 -7.290 -7.277 -2.239 1.00 0.00 N ATOM 1153 CA THR A 80 -5.971 -7.800 -1.910 1.00 0.00 C ATOM 1154 C THR A 80 -4.871 -6.862 -2.393 1.00 0.00 C ATOM 1155 O THR A 80 -4.497 -6.881 -3.567 1.00 0.00 O ATOM 1156 CB THR A 80 -5.749 -9.194 -2.527 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.841 -10.057 -2.194 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.445 -9.803 -2.033 1.00 0.00 C ATOM 0 H THR A 80 -7.436 -7.096 -3.232 1.00 0.00 H new ATOM 0 HA THR A 80 -5.925 -7.880 -0.824 1.00 0.00 H new ATOM 0 HB THR A 80 -5.692 -9.083 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.693 -10.940 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.310 -10.787 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.613 -9.158 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.477 -9.901 -0.948 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.357 -6.042 -1.483 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.299 -5.095 -1.817 1.00 0.00 C ATOM 1168 C CYS A 81 -1.936 -5.781 -1.819 1.00 0.00 C ATOM 1169 O CYS A 81 -1.383 -6.090 -0.762 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.296 -3.931 -0.826 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.436 -2.456 -1.423 1.00 0.00 S ATOM 0 H CYS A 81 -4.656 -6.014 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.493 -4.709 -2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.327 -3.667 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.830 -4.260 0.103 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.304 -1.602 -1.878 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.400 -6.018 -3.011 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.102 -6.669 -3.151 1.00 0.00 C ATOM 1179 C LEU A 82 1.020 -5.637 -3.218 1.00 0.00 C ATOM 1180 O LEU A 82 1.062 -4.809 -4.128 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.081 -7.545 -4.404 1.00 0.00 C ATOM 1182 CG LEU A 82 1.302 -7.922 -4.936 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.109 -8.639 -3.864 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.176 -8.790 -6.180 1.00 0.00 C ATOM 0 H LEU A 82 -1.844 -5.769 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 82 0.059 -7.297 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.629 -8.463 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.623 -7.027 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 82 1.828 -7.007 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.090 -8.900 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.229 -7.985 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.587 -9.547 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.170 -9.049 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.631 -9.701 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.637 -8.242 -6.953 1.00 0.00 H new ATOM 1196 N ALA A 83 1.929 -5.695 -2.250 1.00 0.00 N ATOM 1197 CA ALA A 83 3.054 -4.770 -2.202 1.00 0.00 C ATOM 1198 C ALA A 83 4.382 -5.519 -2.200 1.00 0.00 C ATOM 1199 O ALA A 83 4.805 -6.046 -1.171 1.00 0.00 O ATOM 1200 CB ALA A 83 2.948 -3.874 -0.977 1.00 0.00 C ATOM 0 H ALA A 83 1.908 -6.373 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 83 3.020 -4.149 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.795 -3.188 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.020 -3.304 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.953 -4.487 -0.076 1.00 0.00 H new ATOM 1206 N GLU A 84 5.034 -5.562 -3.357 1.00 0.00 N ATOM 1207 CA GLU A 84 6.314 -6.249 -3.487 1.00 0.00 C ATOM 1208 C GLU A 84 7.340 -5.361 -4.185 1.00 0.00 C ATOM 1209 O GLU A 84 6.984 -4.483 -4.970 1.00 0.00 O ATOM 1210 CB GLU A 84 6.140 -7.555 -4.266 1.00 0.00 C ATOM 1211 CG GLU A 84 5.665 -7.353 -5.695 1.00 0.00 C ATOM 1212 CD GLU A 84 5.862 -8.586 -6.555 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.934 -9.218 -6.451 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.943 -8.919 -7.332 1.00 0.00 O ATOM 0 H GLU A 84 4.698 -5.130 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 84 6.678 -6.477 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.090 -8.089 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.426 -8.189 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.609 -7.084 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.204 -6.516 -6.138 1.00 0.00 H new ATOM 1221 N ASN A 85 8.614 -5.596 -3.891 1.00 0.00 N ATOM 1222 CA ASN A 85 9.693 -4.817 -4.488 1.00 0.00 C ATOM 1223 C ASN A 85 10.879 -5.710 -4.840 1.00 0.00 C ATOM 1224 O ASN A 85 10.813 -6.930 -4.698 1.00 0.00 O ATOM 1225 CB ASN A 85 10.140 -3.709 -3.532 1.00 0.00 C ATOM 1226 CG ASN A 85 10.826 -4.255 -2.295 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.114 -5.449 -2.207 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.091 -3.381 -1.331 1.00 0.00 N ATOM 0 H ASN A 85 8.925 -6.320 -3.243 1.00 0.00 H new ATOM 0 HA ASN A 85 9.316 -4.365 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.820 -3.035 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.273 -3.119 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.551 -3.690 -0.475 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.834 -2.401 -1.447 1.00 0.00 H new ATOM 1235 N ALA A 86 11.962 -5.092 -5.299 1.00 0.00 N ATOM 1236 CA ALA A 86 13.163 -5.830 -5.669 1.00 0.00 C ATOM 1237 C ALA A 86 13.746 -6.566 -4.468 1.00 0.00 C ATOM 1238 O ALA A 86 14.588 -7.453 -4.619 1.00 0.00 O ATOM 1239 CB ALA A 86 14.198 -4.888 -6.266 1.00 0.00 C ATOM 0 H ALA A 86 12.032 -4.082 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 86 12.888 -6.572 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.090 -5.453 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.786 -4.411 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.461 -4.125 -5.533 1.00 0.00 H new ATOM 1245 N LEU A 87 13.295 -6.194 -3.275 1.00 0.00 N ATOM 1246 CA LEU A 87 13.773 -6.819 -2.047 1.00 0.00 C ATOM 1247 C LEU A 87 12.906 -8.016 -1.672 1.00 0.00 C ATOM 1248 O LEU A 87 13.312 -9.166 -1.835 1.00 0.00 O ATOM 1249 CB LEU A 87 13.781 -5.803 -0.903 1.00 0.00 C ATOM 1250 CG LEU A 87 15.064 -4.987 -0.739 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.168 -5.843 -0.138 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.503 -4.409 -2.077 1.00 0.00 C ATOM 0 H LEU A 87 12.599 -5.462 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 87 14.790 -7.170 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.951 -5.112 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.590 -6.334 0.029 1.00 0.00 H new ATOM 0 HG LEU A 87 14.862 -4.161 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.073 -5.245 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.854 -6.208 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.369 -6.690 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.417 -3.831 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.687 -5.220 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.719 -3.761 -2.468 1.00 0.00 H new ATOM 1264 N GLY A 88 11.706 -7.738 -1.171 1.00 0.00 N ATOM 1265 CA GLY A 88 10.799 -8.802 -0.783 1.00 0.00 C ATOM 1266 C GLY A 88 9.431 -8.659 -1.422 1.00 0.00 C ATOM 1267 O GLY A 88 9.257 -7.886 -2.363 1.00 0.00 O ATOM 0 H GLY A 88 11.346 -6.795 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.230 -9.763 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.691 -8.806 0.302 1.00 0.00 H new ATOM 1271 N GLN A 89 8.460 -9.408 -0.910 1.00 0.00 N ATOM 1272 CA GLN A 89 7.102 -9.363 -1.438 1.00 0.00 C ATOM 1273 C GLN A 89 6.088 -9.759 -0.370 1.00 0.00 C ATOM 1274 O GLN A 89 6.230 -10.793 0.283 1.00 0.00 O ATOM 1275 CB GLN A 89 6.972 -10.289 -2.649 1.00 0.00 C ATOM 1276 CG GLN A 89 7.376 -11.726 -2.362 1.00 0.00 C ATOM 1277 CD GLN A 89 6.906 -12.689 -3.434 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.700 -13.439 -4.003 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.608 -12.675 -3.715 1.00 0.00 N ATOM 0 H GLN A 89 8.588 -10.053 -0.130 1.00 0.00 H new ATOM 0 HA GLN A 89 6.894 -8.339 -1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.940 -10.273 -2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.589 -9.902 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.461 -11.784 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.964 -12.030 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.986 -12.037 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.234 -13.302 -4.427 1.00 0.00 H new ATOM 1288 N VAL A 90 5.064 -8.929 -0.196 1.00 0.00 N ATOM 1289 CA VAL A 90 4.026 -9.192 0.793 1.00 0.00 C ATOM 1290 C VAL A 90 2.656 -8.764 0.280 1.00 0.00 C ATOM 1291 O VAL A 90 2.539 -7.798 -0.475 1.00 0.00 O ATOM 1292 CB VAL A 90 4.316 -8.464 2.119 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.733 -8.756 2.590 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.095 -6.967 1.964 1.00 0.00 C ATOM 0 H VAL A 90 4.931 -8.069 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 90 4.024 -10.267 0.971 1.00 0.00 H new ATOM 0 HB VAL A 90 3.624 -8.834 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.920 -8.233 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.852 -9.829 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.444 -8.416 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.304 -6.468 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.762 -6.579 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.060 -6.780 1.676 1.00 0.00 H new ATOM 1304 N SER A 91 1.622 -9.488 0.694 1.00 0.00 N ATOM 1305 CA SER A 91 0.259 -9.185 0.273 1.00 0.00 C ATOM 1306 C SER A 91 -0.714 -9.325 1.440 1.00 0.00 C ATOM 1307 O SER A 91 -0.556 -10.199 2.293 1.00 0.00 O ATOM 1308 CB SER A 91 -0.162 -10.110 -0.870 1.00 0.00 C ATOM 1309 OG SER A 91 -1.126 -9.488 -1.702 1.00 0.00 O ATOM 0 H SER A 91 1.702 -10.289 1.321 1.00 0.00 H new ATOM 0 HA SER A 91 0.234 -8.153 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.712 -10.383 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.571 -11.034 -0.462 1.00 0.00 H new ATOM 0 HG SER A 91 -1.377 -10.099 -2.426 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.719 -8.457 1.471 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.718 -8.482 2.534 1.00 0.00 C ATOM 1317 C CYS A 92 -4.129 -8.462 1.954 1.00 0.00 C ATOM 1318 O CYS A 92 -4.353 -7.950 0.858 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.523 -7.291 3.474 1.00 0.00 C ATOM 1320 SG CYS A 92 -3.118 -5.719 2.807 1.00 0.00 S ATOM 0 H CYS A 92 -1.864 -7.728 0.773 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.589 -9.406 3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.039 -7.494 4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.463 -7.196 3.708 1.00 0.00 H new ATOM 0 HG CYS A 92 -2.911 -4.773 3.675 1.00 0.00 H new ATOM 1326 N SER A 93 -5.076 -9.024 2.698 1.00 0.00 N ATOM 1327 CA SER A 93 -6.465 -9.076 2.255 1.00 0.00 C ATOM 1328 C SER A 93 -7.378 -8.363 3.248 1.00 0.00 C ATOM 1329 O SER A 93 -7.017 -8.162 4.407 1.00 0.00 O ATOM 1330 CB SER A 93 -6.914 -10.528 2.085 1.00 0.00 C ATOM 1331 OG SER A 93 -7.184 -11.130 3.339 1.00 0.00 O ATOM 0 H SER A 93 -4.907 -9.449 3.610 1.00 0.00 H new ATOM 0 HA SER A 93 -6.534 -8.567 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.807 -10.565 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.139 -11.093 1.567 1.00 0.00 H new ATOM 0 HG SER A 93 -7.471 -12.057 3.202 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.564 -7.983 2.783 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.531 -7.294 3.629 1.00 0.00 C ATOM 1339 C ALA A 94 -10.960 -7.626 3.213 1.00 0.00 C ATOM 1340 O ALA A 94 -11.305 -7.555 2.034 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.300 -5.790 3.578 1.00 0.00 C ATOM 0 H ALA A 94 -8.878 -8.141 1.825 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.390 -7.638 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.029 -5.288 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.294 -5.564 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.412 -5.439 2.552 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.784 -7.991 4.188 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.177 -8.335 3.923 1.00 0.00 C ATOM 1349 C TRP A 95 -14.087 -7.131 4.139 1.00 0.00 C ATOM 1350 O TRP A 95 -14.382 -6.761 5.276 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.617 -9.492 4.821 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.060 -9.862 4.649 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.128 -9.327 5.311 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.590 -10.848 3.757 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.291 -9.922 4.884 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.988 -10.858 3.931 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.022 -11.723 2.828 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.822 -11.709 3.210 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.850 -12.567 2.113 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.238 -12.555 2.307 1.00 0.00 C ATOM 0 H TRP A 95 -11.513 -8.057 5.169 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.257 -8.643 2.880 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.998 -10.364 4.608 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.440 -9.222 5.862 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.068 -8.551 6.060 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.228 -9.702 5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.954 -11.740 2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.892 -11.701 3.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.420 -13.247 1.393 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.859 -13.227 1.733 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.528 -6.524 3.043 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.406 -5.362 3.114 1.00 0.00 C ATOM 1373 C VAL A 96 -16.863 -5.761 2.910 1.00 0.00 C ATOM 1374 O VAL A 96 -17.172 -6.636 2.101 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.023 -4.304 2.062 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.010 -3.147 2.084 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.604 -3.810 2.296 1.00 0.00 C ATOM 0 H VAL A 96 -14.292 -6.817 2.095 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.285 -4.934 4.109 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.064 -4.766 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.723 -2.410 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.011 -3.518 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.004 -2.683 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.350 -3.063 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.533 -3.364 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.911 -4.648 2.224 1.00 0.00 H new ATOM 1387 N THR A 97 -17.758 -5.112 3.650 1.00 0.00 N ATOM 1388 CA THR A 97 -19.183 -5.399 3.552 1.00 0.00 C ATOM 1389 C THR A 97 -19.984 -4.128 3.295 1.00 0.00 C ATOM 1390 O THR A 97 -19.818 -3.126 3.991 1.00 0.00 O ATOM 1391 CB THR A 97 -19.710 -6.074 4.833 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.925 -7.234 5.133 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.170 -6.470 4.674 1.00 0.00 C ATOM 0 H THR A 97 -17.520 -4.384 4.324 1.00 0.00 H new ATOM 0 HA THR A 97 -19.310 -6.081 2.712 1.00 0.00 H new ATOM 0 HB THR A 97 -19.631 -5.360 5.653 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.265 -7.657 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.520 -6.945 5.591 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.768 -5.581 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.269 -7.168 3.843 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.854 -4.174 2.291 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.682 -3.026 1.944 1.00 0.00 C ATOM 1403 C VAL A 98 -23.150 -3.291 2.260 1.00 0.00 C ATOM 1404 O VAL A 98 -23.762 -4.202 1.700 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.546 -2.667 0.452 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.255 -1.355 0.152 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.080 -2.593 0.054 1.00 0.00 C ATOM 0 H VAL A 98 -21.003 -4.994 1.704 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.330 -2.188 2.546 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.020 -3.452 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.148 -1.117 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.313 -1.448 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.813 -0.558 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.002 -2.338 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.580 -1.829 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.606 -3.559 0.230 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.710 -2.489 3.159 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.108 -2.636 3.550 1.00 0.00 C ATOM 1419 C HIS A 99 -26.034 -2.351 2.371 1.00 0.00 C ATOM 1420 O HIS A 99 -27.165 -1.900 2.553 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.437 -1.697 4.710 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.627 -1.961 5.942 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.790 -3.085 6.724 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.641 -1.239 6.525 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.941 -3.042 7.736 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.232 -1.932 7.637 1.00 0.00 N ATOM 0 H HIS A 99 -23.218 -1.730 3.631 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.263 -3.666 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.273 -0.668 4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.495 -1.791 4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.461 -3.833 6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.249 -0.294 6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.844 -3.787 8.512 1.00 0.00 H new