USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 1 GLU N :NH3+ -143:sc= 0.00851 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.045) USER MOD Single : A 10 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.529 USER MOD Single : A 25 HIS : no HD1:sc= -8.81! C(o=-8.8!,f=-6.6!) USER MOD Single : A 27 THR OG1 : rot 142:sc= -0.975 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.888 K(o=-0.89,f=-0.085) USER MOD Single : A 33 ASN : amide:sc= -2.06! C(o=-2.1!,f=-5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -6.09! C(o=-6.1!,f=-5.3!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.166 -15.294 19.691 1.00 0.00 N ATOM 2 CA GLU A 1 9.156 -14.500 19.011 1.00 0.00 C ATOM 3 C GLU A 1 9.706 -13.959 17.691 1.00 0.00 C ATOM 4 O GLU A 1 10.912 -14.007 17.450 1.00 0.00 O ATOM 5 CB GLU A 1 8.659 -13.363 19.906 1.00 0.00 C ATOM 6 CG GLU A 1 7.132 -13.366 19.999 1.00 0.00 C ATOM 7 CD GLU A 1 6.646 -12.397 21.079 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.383 -12.245 22.077 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.550 -11.830 20.881 1.00 0.00 O ATOM 0 H1 GLU A 1 9.713 -16.104 20.160 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.861 -15.639 18.998 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.648 -14.708 20.402 1.00 0.00 H new ATOM 0 HA GLU A 1 8.304 -15.143 18.790 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.088 -13.466 20.903 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.001 -12.407 19.509 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.705 -13.086 19.036 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.780 -14.373 20.224 1.00 0.00 H new ATOM 16 N GLU A 2 8.797 -13.454 16.870 1.00 0.00 N ATOM 17 CA GLU A 2 9.176 -12.904 15.580 1.00 0.00 C ATOM 18 C GLU A 2 8.426 -11.596 15.320 1.00 0.00 C ATOM 19 O GLU A 2 7.486 -11.262 16.039 1.00 0.00 O ATOM 20 CB GLU A 2 8.924 -13.913 14.458 1.00 0.00 C ATOM 21 CG GLU A 2 10.035 -13.852 13.406 1.00 0.00 C ATOM 22 CD GLU A 2 10.687 -15.224 13.218 1.00 0.00 C ATOM 23 OE1 GLU A 2 9.922 -16.208 13.129 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.935 -15.256 13.167 1.00 0.00 O ATOM 0 H GLU A 2 7.798 -13.414 17.073 1.00 0.00 H new ATOM 0 HA GLU A 2 10.245 -12.690 15.598 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.867 -14.919 14.874 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.962 -13.708 13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.624 -13.507 12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.789 -13.125 13.709 1.00 0.00 H new ATOM 31 N TYR A 3 8.870 -10.891 14.289 1.00 0.00 N ATOM 32 CA TYR A 3 8.253 -9.627 13.925 1.00 0.00 C ATOM 33 C TYR A 3 7.111 -9.842 12.930 1.00 0.00 C ATOM 34 O TYR A 3 7.252 -10.600 11.971 1.00 0.00 O ATOM 35 CB TYR A 3 9.350 -8.800 13.253 1.00 0.00 C ATOM 36 CG TYR A 3 9.084 -7.293 13.257 1.00 0.00 C ATOM 37 CD1 TYR A 3 8.685 -6.666 14.420 1.00 0.00 C ATOM 38 CD2 TYR A 3 9.244 -6.561 12.098 1.00 0.00 C ATOM 39 CE1 TYR A 3 8.434 -5.248 14.424 1.00 0.00 C ATOM 40 CE2 TYR A 3 8.993 -5.143 12.102 1.00 0.00 C ATOM 41 CZ TYR A 3 8.601 -4.557 13.264 1.00 0.00 C ATOM 42 OH TYR A 3 8.364 -3.217 13.268 1.00 0.00 O ATOM 0 H TYR A 3 9.650 -11.172 13.694 1.00 0.00 H new ATOM 0 HA TYR A 3 7.838 -9.135 14.805 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.297 -8.993 13.758 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.464 -9.136 12.222 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.561 -7.239 15.327 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.557 -7.052 11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.121 -4.745 15.327 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.114 -4.558 11.202 1.00 0.00 H new ATOM 0 HH TYR A 3 8.524 -2.854 12.372 1.00 0.00 H new ATOM 52 N VAL A 4 6.005 -9.160 13.190 1.00 0.00 N ATOM 53 CA VAL A 4 4.840 -9.266 12.329 1.00 0.00 C ATOM 54 C VAL A 4 4.125 -7.915 12.277 1.00 0.00 C ATOM 55 O VAL A 4 3.299 -7.612 13.137 1.00 0.00 O ATOM 56 CB VAL A 4 3.935 -10.403 12.810 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.291 -11.718 12.114 1.00 0.00 C ATOM 58 CG2 VAL A 4 4.004 -10.552 14.332 1.00 0.00 C ATOM 0 H VAL A 4 5.891 -8.532 13.985 1.00 0.00 H new ATOM 0 HA VAL A 4 5.139 -9.515 11.311 1.00 0.00 H new ATOM 0 HB VAL A 4 2.909 -10.150 12.544 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.633 -12.510 12.473 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.167 -11.605 11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.326 -11.978 12.335 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.352 -11.366 14.648 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.029 -10.772 14.630 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.680 -9.624 14.803 1.00 0.00 H new ATOM 68 N GLY A 5 4.468 -7.138 11.260 1.00 0.00 N ATOM 69 CA GLY A 5 3.869 -5.826 11.085 1.00 0.00 C ATOM 70 C GLY A 5 2.994 -5.786 9.830 1.00 0.00 C ATOM 71 O GLY A 5 3.506 -5.778 8.712 1.00 0.00 O ATOM 0 H GLY A 5 5.153 -7.392 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.268 -5.577 11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.652 -5.072 11.011 1.00 0.00 H new ATOM 75 N LEU A 6 1.689 -5.761 10.058 1.00 0.00 N ATOM 76 CA LEU A 6 0.738 -5.722 8.960 1.00 0.00 C ATOM 77 C LEU A 6 0.381 -4.266 8.652 1.00 0.00 C ATOM 78 O LEU A 6 -0.579 -3.998 7.932 1.00 0.00 O ATOM 79 CB LEU A 6 -0.476 -6.600 9.271 1.00 0.00 C ATOM 80 CG LEU A 6 -0.335 -7.539 10.471 1.00 0.00 C ATOM 81 CD1 LEU A 6 -1.564 -8.440 10.609 1.00 0.00 C ATOM 82 CD2 LEU A 6 0.961 -8.348 10.384 1.00 0.00 C ATOM 0 H LEU A 6 1.268 -5.767 10.987 1.00 0.00 H new ATOM 0 HA LEU A 6 1.182 -6.140 8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.335 -5.951 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.701 -7.200 8.389 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.277 -6.932 11.375 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.438 -9.098 11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.453 -7.824 10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.678 -9.041 9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.037 -9.007 11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.957 -8.945 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.814 -7.669 10.370 1.00 0.00 H new ATOM 94 N SER A 7 1.174 -3.365 9.212 1.00 0.00 N ATOM 95 CA SER A 7 0.954 -1.944 9.006 1.00 0.00 C ATOM 96 C SER A 7 2.230 -1.164 9.332 1.00 0.00 C ATOM 97 O SER A 7 2.863 -1.404 10.358 1.00 0.00 O ATOM 98 CB SER A 7 -0.210 -1.437 9.859 1.00 0.00 C ATOM 99 OG SER A 7 -0.135 -1.911 11.200 1.00 0.00 O ATOM 0 H SER A 7 1.970 -3.591 9.808 1.00 0.00 H new ATOM 0 HA SER A 7 0.697 -1.787 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.211 -0.347 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.152 -1.757 9.414 1.00 0.00 H new ATOM 0 HG SER A 7 -0.895 -1.564 11.713 1.00 0.00 H new ATOM 105 N ALA A 8 2.568 -0.245 8.439 1.00 0.00 N ATOM 106 CA ALA A 8 3.757 0.571 8.619 1.00 0.00 C ATOM 107 C ALA A 8 4.977 -0.189 8.095 1.00 0.00 C ATOM 108 O ALA A 8 5.630 0.254 7.152 1.00 0.00 O ATOM 109 CB ALA A 8 3.896 0.951 10.095 1.00 0.00 C ATOM 0 H ALA A 8 2.040 -0.048 7.589 1.00 0.00 H new ATOM 0 HA ALA A 8 3.677 1.497 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.788 1.563 10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.018 1.514 10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.982 0.046 10.697 1.00 0.00 H new ATOM 115 N ASN A 9 5.247 -1.320 8.730 1.00 0.00 N ATOM 116 CA ASN A 9 6.377 -2.146 8.339 1.00 0.00 C ATOM 117 C ASN A 9 6.216 -2.564 6.876 1.00 0.00 C ATOM 118 O ASN A 9 7.109 -2.339 6.061 1.00 0.00 O ATOM 119 CB ASN A 9 6.450 -3.417 9.188 1.00 0.00 C ATOM 120 CG ASN A 9 7.524 -4.369 8.659 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.244 -5.364 8.012 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.766 -4.009 8.969 1.00 0.00 N ATOM 0 H ASN A 9 4.703 -1.684 9.512 1.00 0.00 H new ATOM 0 HA ASN A 9 7.287 -1.563 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.669 -3.155 10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.482 -3.917 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.554 -4.579 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.931 -3.163 9.514 1.00 0.00 H new ATOM 129 N GLN A 10 5.071 -3.164 6.588 1.00 0.00 N ATOM 130 CA GLN A 10 4.782 -3.615 5.237 1.00 0.00 C ATOM 131 C GLN A 10 4.721 -2.423 4.281 1.00 0.00 C ATOM 132 O GLN A 10 5.011 -2.560 3.093 1.00 0.00 O ATOM 133 CB GLN A 10 3.481 -4.419 5.194 1.00 0.00 C ATOM 134 CG GLN A 10 2.400 -3.759 6.052 1.00 0.00 C ATOM 135 CD GLN A 10 1.001 -4.147 5.568 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.138 -3.313 5.348 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.827 -5.457 5.414 1.00 0.00 N ATOM 0 H GLN A 10 4.332 -3.349 7.267 1.00 0.00 H new ATOM 0 HA GLN A 10 5.589 -4.273 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.134 -4.500 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.664 -5.433 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.524 -4.058 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.513 -2.676 6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.592 -6.100 5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.072 -5.818 5.094 1.00 0.00 H new ATOM 146 N CYS A 11 4.343 -1.280 4.834 1.00 0.00 N ATOM 147 CA CYS A 11 4.241 -0.064 4.045 1.00 0.00 C ATOM 148 C CYS A 11 5.303 0.921 4.540 1.00 0.00 C ATOM 149 O CYS A 11 5.010 2.095 4.760 1.00 0.00 O ATOM 150 CB CYS A 11 2.834 0.534 4.107 1.00 0.00 C ATOM 151 SG CYS A 11 1.509 -0.660 4.515 1.00 0.00 S ATOM 0 H CYS A 11 4.104 -1.170 5.819 1.00 0.00 H new ATOM 0 HA CYS A 11 4.421 -0.293 2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.826 1.332 4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.607 0.992 3.145 1.00 0.00 H new ATOM 156 N ALA A 12 6.513 0.405 4.701 1.00 0.00 N ATOM 157 CA ALA A 12 7.619 1.224 5.166 1.00 0.00 C ATOM 158 C ALA A 12 8.598 1.454 4.012 1.00 0.00 C ATOM 159 O ALA A 12 9.810 1.358 4.194 1.00 0.00 O ATOM 160 CB ALA A 12 8.283 0.551 6.368 1.00 0.00 C ATOM 0 H ALA A 12 6.751 -0.570 4.518 1.00 0.00 H new ATOM 0 HA ALA A 12 7.262 2.200 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.113 1.166 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.554 0.437 7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.656 -0.430 6.075 1.00 0.00 H new ATOM 166 N VAL A 13 8.034 1.754 2.851 1.00 0.00 N ATOM 167 CA VAL A 13 8.842 1.999 1.668 1.00 0.00 C ATOM 168 C VAL A 13 9.271 3.467 1.644 1.00 0.00 C ATOM 169 O VAL A 13 8.537 4.340 2.104 1.00 0.00 O ATOM 170 CB VAL A 13 8.073 1.580 0.414 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.000 0.900 -0.596 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.892 0.674 0.771 1.00 0.00 C ATOM 0 H VAL A 13 7.028 1.833 2.704 1.00 0.00 H new ATOM 0 HA VAL A 13 9.750 1.396 1.693 1.00 0.00 H new ATOM 0 HB VAL A 13 7.674 2.482 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.428 0.612 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.791 1.591 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.442 0.012 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.363 0.391 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.259 -0.222 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.212 1.207 1.435 1.00 0.00 H new ATOM 182 N PRO A 14 10.490 3.701 1.088 1.00 0.00 N ATOM 183 CA PRO A 14 11.026 5.048 0.997 1.00 0.00 C ATOM 184 C PRO A 14 10.330 5.842 -0.111 1.00 0.00 C ATOM 185 O PRO A 14 10.644 7.010 -0.333 1.00 0.00 O ATOM 186 CB PRO A 14 12.514 4.864 0.751 1.00 0.00 C ATOM 187 CG PRO A 14 12.681 3.438 0.251 1.00 0.00 C ATOM 188 CD PRO A 14 11.387 2.691 0.533 1.00 0.00 C ATOM 0 HA PRO A 14 10.855 5.630 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.880 5.581 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.084 5.026 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.901 3.431 -0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.519 2.953 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.976 2.253 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.547 1.874 1.236 1.00 0.00 H new ATOM 196 N ALA A 15 9.399 5.175 -0.776 1.00 0.00 N ATOM 197 CA ALA A 15 8.656 5.803 -1.856 1.00 0.00 C ATOM 198 C ALA A 15 9.400 5.586 -3.175 1.00 0.00 C ATOM 199 O ALA A 15 8.819 5.725 -4.250 1.00 0.00 O ATOM 200 CB ALA A 15 8.451 7.286 -1.539 1.00 0.00 C ATOM 0 H ALA A 15 9.142 4.206 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 15 7.669 5.351 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.894 7.757 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.892 7.385 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.420 7.773 -1.434 1.00 0.00 H new ATOM 206 N LYS A 16 10.675 5.248 -3.050 1.00 0.00 N ATOM 207 CA LYS A 16 11.505 5.010 -4.218 1.00 0.00 C ATOM 208 C LYS A 16 11.518 3.513 -4.533 1.00 0.00 C ATOM 209 O LYS A 16 12.268 3.064 -5.399 1.00 0.00 O ATOM 210 CB LYS A 16 12.898 5.609 -4.017 1.00 0.00 C ATOM 211 CG LYS A 16 13.611 4.952 -2.833 1.00 0.00 C ATOM 212 CD LYS A 16 13.923 3.483 -3.126 1.00 0.00 C ATOM 213 CE LYS A 16 15.172 3.026 -2.369 1.00 0.00 C ATOM 214 NZ LYS A 16 16.127 2.373 -3.292 1.00 0.00 N ATOM 0 H LYS A 16 11.154 5.133 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 16 11.089 5.515 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.490 5.475 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.815 6.682 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.536 5.488 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.986 5.024 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.073 2.863 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.072 3.346 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.648 3.882 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.891 2.332 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.969 2.069 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.675 1.545 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.409 3.046 -4.033 1.00 0.00 H new ATOM 228 N ASP A 17 10.680 2.782 -3.813 1.00 0.00 N ATOM 229 CA ASP A 17 10.586 1.345 -4.005 1.00 0.00 C ATOM 230 C ASP A 17 9.112 0.942 -4.095 1.00 0.00 C ATOM 231 O ASP A 17 8.771 -0.224 -3.902 1.00 0.00 O ATOM 232 CB ASP A 17 11.211 0.590 -2.829 1.00 0.00 C ATOM 233 CG ASP A 17 10.816 -0.884 -2.724 1.00 0.00 C ATOM 234 OD1 ASP A 17 10.898 -1.570 -3.766 1.00 0.00 O ATOM 235 OD2 ASP A 17 10.440 -1.292 -1.604 1.00 0.00 O ATOM 0 H ASP A 17 10.060 3.158 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 17 11.119 1.092 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.296 0.655 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.930 1.093 -1.904 1.00 0.00 H new ATOM 240 N ARG A 18 8.279 1.929 -4.388 1.00 0.00 N ATOM 241 CA ARG A 18 6.850 1.693 -4.507 1.00 0.00 C ATOM 242 C ARG A 18 6.534 1.006 -5.837 1.00 0.00 C ATOM 243 O ARG A 18 6.455 1.661 -6.874 1.00 0.00 O ATOM 244 CB ARG A 18 6.066 3.003 -4.418 1.00 0.00 C ATOM 245 CG ARG A 18 6.570 3.867 -3.261 1.00 0.00 C ATOM 246 CD ARG A 18 6.268 3.208 -1.913 1.00 0.00 C ATOM 247 NE ARG A 18 6.257 4.229 -0.841 1.00 0.00 N ATOM 248 CZ ARG A 18 5.396 5.254 -0.789 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.470 5.401 -1.747 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.461 6.132 0.221 1.00 0.00 N ATOM 0 H ARG A 18 8.566 2.895 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 18 6.551 1.048 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.161 3.552 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.006 2.788 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.644 4.024 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.099 4.849 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.303 2.702 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.018 2.448 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 18 6.948 4.147 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.421 4.732 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.815 6.181 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.166 6.020 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.806 6.913 0.261 1.00 0.00 H new ATOM 264 N VAL A 19 6.363 -0.306 -5.763 1.00 0.00 N ATOM 265 CA VAL A 19 6.058 -1.089 -6.948 1.00 0.00 C ATOM 266 C VAL A 19 4.708 -0.643 -7.515 1.00 0.00 C ATOM 267 O VAL A 19 4.377 -0.957 -8.657 1.00 0.00 O ATOM 268 CB VAL A 19 6.102 -2.582 -6.615 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.911 -3.430 -7.874 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.406 -2.946 -5.901 1.00 0.00 C ATOM 0 H VAL A 19 6.430 -0.846 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 19 6.808 -0.920 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 19 5.277 -2.799 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.946 -4.487 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.945 -3.201 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.705 -3.207 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.412 -4.012 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.252 -2.706 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.484 -2.379 -4.974 1.00 0.00 H new ATOM 280 N ASP A 20 3.967 0.081 -6.690 1.00 0.00 N ATOM 281 CA ASP A 20 2.661 0.574 -7.095 1.00 0.00 C ATOM 282 C ASP A 20 1.790 -0.605 -7.534 1.00 0.00 C ATOM 283 O ASP A 20 2.065 -1.240 -8.551 1.00 0.00 O ATOM 284 CB ASP A 20 2.778 1.540 -8.275 1.00 0.00 C ATOM 285 CG ASP A 20 1.472 1.805 -9.027 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.436 1.924 -8.339 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.540 1.882 -10.273 1.00 0.00 O ATOM 0 H ASP A 20 4.245 0.338 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 20 2.219 1.095 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.168 2.490 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.510 1.144 -8.978 1.00 0.00 H new ATOM 292 N CYS A 21 0.756 -0.862 -6.746 1.00 0.00 N ATOM 293 CA CYS A 21 -0.157 -1.953 -7.040 1.00 0.00 C ATOM 294 C CYS A 21 -1.218 -1.441 -8.016 1.00 0.00 C ATOM 295 O CYS A 21 -1.929 -2.231 -8.636 1.00 0.00 O ATOM 296 CB CYS A 21 -0.781 -2.528 -5.767 1.00 0.00 C ATOM 297 SG CYS A 21 -0.640 -1.455 -4.291 1.00 0.00 S ATOM 0 H CYS A 21 0.530 -0.333 -5.904 1.00 0.00 H new ATOM 0 HA CYS A 21 0.391 -2.776 -7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.836 -2.727 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.309 -3.486 -5.549 1.00 0.00 H new ATOM 302 N GLY A 22 -1.293 -0.122 -8.121 1.00 0.00 N ATOM 303 CA GLY A 22 -2.256 0.504 -9.011 1.00 0.00 C ATOM 304 C GLY A 22 -3.677 0.373 -8.460 1.00 0.00 C ATOM 305 O GLY A 22 -4.288 -0.691 -8.555 1.00 0.00 O ATOM 0 H GLY A 22 -0.703 0.530 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.007 1.558 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.200 0.042 -9.996 1.00 0.00 H new ATOM 309 N TYR A 23 -4.163 1.469 -7.896 1.00 0.00 N ATOM 310 CA TYR A 23 -5.501 1.489 -7.330 1.00 0.00 C ATOM 311 C TYR A 23 -6.189 2.830 -7.598 1.00 0.00 C ATOM 312 O TYR A 23 -5.539 3.873 -7.611 1.00 0.00 O ATOM 313 CB TYR A 23 -5.323 1.313 -5.821 1.00 0.00 C ATOM 314 CG TYR A 23 -5.232 -0.147 -5.372 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.370 -0.926 -5.321 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.011 -0.684 -5.017 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.283 -2.300 -4.898 1.00 0.00 C ATOM 318 CE2 TYR A 23 -3.925 -2.058 -4.594 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.065 -2.798 -4.556 1.00 0.00 C ATOM 320 OH TYR A 23 -4.983 -4.095 -4.156 1.00 0.00 O ATOM 0 H TYR A 23 -3.654 2.350 -7.819 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.117 0.706 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.419 1.836 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.159 1.789 -5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.325 -0.506 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.121 -0.074 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.166 -2.921 -4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.976 -2.491 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.140 -4.237 -3.678 1.00 0.00 H new ATOM 330 N PRO A 24 -7.530 2.755 -7.810 1.00 0.00 N ATOM 331 CA PRO A 24 -8.313 3.950 -8.076 1.00 0.00 C ATOM 332 C PRO A 24 -8.526 4.762 -6.797 1.00 0.00 C ATOM 333 O PRO A 24 -7.766 5.687 -6.512 1.00 0.00 O ATOM 334 CB PRO A 24 -9.613 3.442 -8.679 1.00 0.00 C ATOM 335 CG PRO A 24 -9.701 1.972 -8.302 1.00 0.00 C ATOM 336 CD PRO A 24 -8.334 1.536 -7.801 1.00 0.00 C ATOM 0 HA PRO A 24 -7.813 4.637 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.467 3.997 -8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.617 3.568 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.456 1.820 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.000 1.374 -9.163 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.397 1.110 -6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.901 0.771 -8.446 1.00 0.00 H new ATOM 344 N HIS A 25 -9.562 4.388 -6.061 1.00 0.00 N ATOM 345 CA HIS A 25 -9.884 5.070 -4.819 1.00 0.00 C ATOM 346 C HIS A 25 -8.959 4.573 -3.706 1.00 0.00 C ATOM 347 O HIS A 25 -9.345 3.719 -2.909 1.00 0.00 O ATOM 348 CB HIS A 25 -11.366 4.906 -4.477 1.00 0.00 C ATOM 349 CG HIS A 25 -11.745 3.510 -4.046 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.952 3.215 -3.436 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.065 2.331 -4.142 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.986 1.915 -3.181 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.815 1.369 -3.619 1.00 0.00 N ATOM 0 H HIS A 25 -10.190 3.621 -6.301 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.715 6.141 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.624 5.604 -3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.962 5.181 -5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.082 2.202 -4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.798 1.382 -2.709 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.558 0.384 -3.555 1.00 0.00 H new ATOM 362 N VAL A 26 -7.757 5.130 -3.686 1.00 0.00 N ATOM 363 CA VAL A 26 -6.775 4.754 -2.684 1.00 0.00 C ATOM 364 C VAL A 26 -6.935 5.653 -1.457 1.00 0.00 C ATOM 365 O VAL A 26 -7.125 6.861 -1.588 1.00 0.00 O ATOM 366 CB VAL A 26 -5.368 4.806 -3.284 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.184 3.719 -4.345 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.069 6.191 -3.860 1.00 0.00 C ATOM 0 H VAL A 26 -7.441 5.839 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.937 3.727 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.654 4.616 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.176 3.778 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.335 2.739 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.910 3.864 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.063 6.201 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.791 6.423 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.139 6.937 -3.068 1.00 0.00 H new ATOM 378 N THR A 27 -6.852 5.029 -0.291 1.00 0.00 N ATOM 379 CA THR A 27 -6.985 5.758 0.959 1.00 0.00 C ATOM 380 C THR A 27 -6.202 5.058 2.071 1.00 0.00 C ATOM 381 O THR A 27 -5.706 3.949 1.882 1.00 0.00 O ATOM 382 CB THR A 27 -8.477 5.903 1.265 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.822 4.674 1.900 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.336 5.922 -0.001 1.00 0.00 C ATOM 0 H THR A 27 -6.694 4.027 -0.186 1.00 0.00 H new ATOM 0 HA THR A 27 -6.555 6.757 0.882 1.00 0.00 H new ATOM 0 HB THR A 27 -8.644 6.820 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.462 4.847 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.386 6.027 0.273 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.040 6.762 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.195 4.991 -0.550 1.00 0.00 H new ATOM 392 N PRO A 28 -6.113 5.753 3.237 1.00 0.00 N ATOM 393 CA PRO A 28 -5.399 5.209 4.380 1.00 0.00 C ATOM 394 C PRO A 28 -6.211 4.105 5.059 1.00 0.00 C ATOM 395 O PRO A 28 -6.242 4.018 6.286 1.00 0.00 O ATOM 396 CB PRO A 28 -5.142 6.402 5.287 1.00 0.00 C ATOM 397 CG PRO A 28 -6.121 7.478 4.847 1.00 0.00 C ATOM 398 CD PRO A 28 -6.689 7.069 3.497 1.00 0.00 C ATOM 0 HA PRO A 28 -4.461 4.729 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.296 6.138 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.113 6.749 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.920 7.589 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.620 8.443 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.778 7.027 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.415 7.782 2.719 1.00 0.00 H new ATOM 406 N LYS A 29 -6.847 3.288 4.233 1.00 0.00 N ATOM 407 CA LYS A 29 -7.657 2.193 4.739 1.00 0.00 C ATOM 408 C LYS A 29 -8.261 1.425 3.561 1.00 0.00 C ATOM 409 O LYS A 29 -8.216 0.196 3.529 1.00 0.00 O ATOM 410 CB LYS A 29 -8.697 2.711 5.733 1.00 0.00 C ATOM 411 CG LYS A 29 -9.031 1.647 6.781 1.00 0.00 C ATOM 412 CD LYS A 29 -10.001 0.607 6.217 1.00 0.00 C ATOM 413 CE LYS A 29 -11.425 0.857 6.719 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.923 -0.318 7.469 1.00 0.00 N ATOM 0 H LYS A 29 -6.818 3.362 3.216 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.040 1.489 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.319 3.607 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.603 2.999 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.115 1.155 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.471 2.121 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.984 0.642 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.679 -0.392 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.442 1.739 7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.084 1.063 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.890 -0.132 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.925 -1.151 6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.304 -0.497 8.285 1.00 0.00 H new ATOM 428 N GLU A 30 -8.812 2.180 2.623 1.00 0.00 N ATOM 429 CA GLU A 30 -9.424 1.586 1.447 1.00 0.00 C ATOM 430 C GLU A 30 -8.354 0.956 0.553 1.00 0.00 C ATOM 431 O GLU A 30 -8.536 -0.150 0.046 1.00 0.00 O ATOM 432 CB GLU A 30 -10.244 2.620 0.674 1.00 0.00 C ATOM 433 CG GLU A 30 -10.972 1.972 -0.506 1.00 0.00 C ATOM 434 CD GLU A 30 -12.447 2.378 -0.530 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.699 3.593 -0.677 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.290 1.463 -0.402 1.00 0.00 O ATOM 0 H GLU A 30 -8.848 3.199 2.653 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.106 0.801 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.969 3.087 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.589 3.412 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.494 2.268 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.891 0.887 -0.437 1.00 0.00 H new ATOM 443 N CYS A 31 -7.261 1.687 0.387 1.00 0.00 N ATOM 444 CA CYS A 31 -6.162 1.213 -0.437 1.00 0.00 C ATOM 445 C CYS A 31 -5.548 -0.014 0.240 1.00 0.00 C ATOM 446 O CYS A 31 -5.056 -0.918 -0.434 1.00 0.00 O ATOM 447 CB CYS A 31 -5.123 2.310 -0.679 1.00 0.00 C ATOM 448 SG CYS A 31 -3.421 1.704 -0.970 1.00 0.00 S ATOM 0 H CYS A 31 -7.113 2.604 0.809 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.537 0.934 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.435 2.903 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.113 2.978 0.182 1.00 0.00 H new ATOM 453 N ASN A 32 -5.598 -0.007 1.564 1.00 0.00 N ATOM 454 CA ASN A 32 -5.053 -1.109 2.339 1.00 0.00 C ATOM 455 C ASN A 32 -6.159 -2.129 2.615 1.00 0.00 C ATOM 456 O ASN A 32 -5.919 -3.153 3.252 1.00 0.00 O ATOM 457 CB ASN A 32 -4.513 -0.621 3.685 1.00 0.00 C ATOM 458 CG ASN A 32 -4.188 -1.799 4.605 1.00 0.00 C ATOM 459 OD1 ASN A 32 -3.539 -2.759 4.222 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.673 -1.674 5.837 1.00 0.00 N ATOM 0 H ASN A 32 -6.007 0.744 2.120 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.241 -1.556 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.617 -0.022 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.248 0.026 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.510 -2.408 6.526 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.208 -0.844 6.093 1.00 0.00 H new ATOM 467 N ASN A 33 -7.348 -1.813 2.123 1.00 0.00 N ATOM 468 CA ASN A 33 -8.492 -2.689 2.308 1.00 0.00 C ATOM 469 C ASN A 33 -8.661 -3.569 1.068 1.00 0.00 C ATOM 470 O ASN A 33 -8.981 -4.751 1.181 1.00 0.00 O ATOM 471 CB ASN A 33 -9.779 -1.883 2.495 1.00 0.00 C ATOM 472 CG ASN A 33 -11.004 -2.800 2.505 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.216 -3.604 1.613 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.794 -2.634 3.561 1.00 0.00 N ATOM 0 H ASN A 33 -7.544 -0.962 1.596 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.313 -3.294 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.730 -1.325 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.874 -1.152 1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.637 -3.199 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.557 -1.942 4.272 1.00 0.00 H new ATOM 481 N ARG A 34 -8.438 -2.959 -0.087 1.00 0.00 N ATOM 482 CA ARG A 34 -8.562 -3.672 -1.346 1.00 0.00 C ATOM 483 C ARG A 34 -7.531 -4.800 -1.421 1.00 0.00 C ATOM 484 O ARG A 34 -7.727 -5.779 -2.139 1.00 0.00 O ATOM 485 CB ARG A 34 -8.364 -2.729 -2.535 1.00 0.00 C ATOM 486 CG ARG A 34 -9.316 -3.083 -3.680 1.00 0.00 C ATOM 487 CD ARG A 34 -9.269 -4.580 -3.989 1.00 0.00 C ATOM 488 NE ARG A 34 -10.172 -4.892 -5.119 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.805 -4.856 -6.407 1.00 0.00 C ATOM 490 NH1 ARG A 34 -8.550 -4.521 -6.737 1.00 0.00 N ATOM 491 NH2 ARG A 34 -10.692 -5.154 -7.366 1.00 0.00 N ATOM 0 H ARG A 34 -8.172 -1.978 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.567 -4.091 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.535 -1.700 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.333 -2.788 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.333 -2.795 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.046 -2.516 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.249 -4.877 -4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.564 -5.151 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.135 -5.151 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.874 -4.293 -6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.271 -4.494 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.648 -5.408 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.412 -5.126 -8.346 1.00 0.00 H new ATOM 505 N GLY A 35 -6.453 -4.624 -0.670 1.00 0.00 N ATOM 506 CA GLY A 35 -5.391 -5.615 -0.642 1.00 0.00 C ATOM 507 C GLY A 35 -4.067 -5.013 -1.118 1.00 0.00 C ATOM 508 O GLY A 35 -3.628 -5.275 -2.237 1.00 0.00 O ATOM 0 H GLY A 35 -6.293 -3.810 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.276 -6.001 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.660 -6.459 -1.277 1.00 0.00 H new ATOM 512 N CYS A 36 -3.468 -4.217 -0.244 1.00 0.00 N ATOM 513 CA CYS A 36 -2.203 -3.576 -0.561 1.00 0.00 C ATOM 514 C CYS A 36 -1.860 -2.605 0.571 1.00 0.00 C ATOM 515 O CYS A 36 -2.370 -2.737 1.683 1.00 0.00 O ATOM 516 CB CYS A 36 -2.249 -2.874 -1.920 1.00 0.00 C ATOM 517 SG CYS A 36 -0.853 -3.268 -3.035 1.00 0.00 S ATOM 0 H CYS A 36 -3.835 -4.002 0.683 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.420 -4.330 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.181 -3.140 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.272 -1.797 -1.756 1.00 0.00 H new ATOM 522 N CYS A 37 -0.997 -1.652 0.250 1.00 0.00 N ATOM 523 CA CYS A 37 -0.580 -0.660 1.226 1.00 0.00 C ATOM 524 C CYS A 37 -0.893 0.728 0.664 1.00 0.00 C ATOM 525 O CYS A 37 -0.869 0.930 -0.549 1.00 0.00 O ATOM 526 CB CYS A 37 0.899 -0.810 1.587 1.00 0.00 C ATOM 527 SG CYS A 37 1.238 -1.957 2.973 1.00 0.00 S ATOM 0 H CYS A 37 -0.575 -1.546 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.130 -0.806 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.440 -1.156 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.298 0.172 1.841 1.00 0.00 H new ATOM 532 N PHE A 38 -1.178 1.649 1.573 1.00 0.00 N ATOM 533 CA PHE A 38 -1.495 3.012 1.183 1.00 0.00 C ATOM 534 C PHE A 38 -0.441 3.991 1.704 1.00 0.00 C ATOM 535 O PHE A 38 0.453 3.603 2.456 1.00 0.00 O ATOM 536 CB PHE A 38 -2.847 3.354 1.811 1.00 0.00 C ATOM 537 CG PHE A 38 -3.253 4.821 1.654 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.886 5.234 0.524 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.980 5.712 2.645 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.263 6.595 0.378 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.357 7.074 2.499 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.990 7.486 1.368 1.00 0.00 C ATOM 0 H PHE A 38 -1.196 1.478 2.578 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.520 3.092 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.615 2.725 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.816 3.108 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.102 4.527 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.477 5.384 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.767 6.923 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.141 7.782 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.276 8.521 1.256 1.00 0.00 H new ATOM 552 N ASP A 39 -0.580 5.240 1.285 1.00 0.00 N ATOM 553 CA ASP A 39 0.349 6.277 1.701 1.00 0.00 C ATOM 554 C ASP A 39 -0.093 7.618 1.112 1.00 0.00 C ATOM 555 O ASP A 39 -0.575 7.674 -0.019 1.00 0.00 O ATOM 556 CB ASP A 39 1.764 5.983 1.198 1.00 0.00 C ATOM 557 CG ASP A 39 2.758 7.135 1.354 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.588 8.134 0.621 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.665 6.991 2.201 1.00 0.00 O ATOM 0 H ASP A 39 -1.322 5.557 0.661 1.00 0.00 H new ATOM 0 HA ASP A 39 0.353 6.309 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.150 5.115 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.709 5.710 0.144 1.00 0.00 H new ATOM 564 N SER A 40 0.086 8.664 1.904 1.00 0.00 N ATOM 565 CA SER A 40 -0.288 10.001 1.475 1.00 0.00 C ATOM 566 C SER A 40 0.846 10.983 1.774 1.00 0.00 C ATOM 567 O SER A 40 0.658 12.196 1.695 1.00 0.00 O ATOM 568 CB SER A 40 -1.579 10.457 2.157 1.00 0.00 C ATOM 569 OG SER A 40 -1.428 10.564 3.570 1.00 0.00 O ATOM 0 H SER A 40 0.485 8.613 2.841 1.00 0.00 H new ATOM 0 HA SER A 40 -0.466 9.978 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.882 11.422 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.378 9.751 1.930 1.00 0.00 H new ATOM 0 HG SER A 40 -2.274 10.859 3.968 1.00 0.00 H new ATOM 575 N ARG A 41 1.999 10.423 2.111 1.00 0.00 N ATOM 576 CA ARG A 41 3.163 11.234 2.422 1.00 0.00 C ATOM 577 C ARG A 41 3.495 12.158 1.248 1.00 0.00 C ATOM 578 O ARG A 41 3.666 13.363 1.431 1.00 0.00 O ATOM 579 CB ARG A 41 4.378 10.358 2.732 1.00 0.00 C ATOM 580 CG ARG A 41 5.236 10.980 3.836 1.00 0.00 C ATOM 581 CD ARG A 41 6.590 11.433 3.288 1.00 0.00 C ATOM 582 NE ARG A 41 7.172 12.468 4.172 1.00 0.00 N ATOM 583 CZ ARG A 41 6.797 13.754 4.170 1.00 0.00 C ATOM 584 NH1 ARG A 41 5.839 14.172 3.332 1.00 0.00 N ATOM 585 NH2 ARG A 41 7.381 14.624 5.007 1.00 0.00 N ATOM 0 H ARG A 41 2.151 9.416 2.175 1.00 0.00 H new ATOM 0 HA ARG A 41 2.926 11.831 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.047 9.366 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.977 10.229 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.713 11.831 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.387 10.255 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.266 10.581 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.470 11.830 2.280 1.00 0.00 H new ATOM 0 HE ARG A 41 7.904 12.184 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.395 13.511 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.554 15.151 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.111 14.306 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.096 15.603 5.005 1.00 0.00 H new ATOM 599 N ILE A 42 3.575 11.559 0.069 1.00 0.00 N ATOM 600 CA ILE A 42 3.884 12.314 -1.134 1.00 0.00 C ATOM 601 C ILE A 42 3.103 11.728 -2.312 1.00 0.00 C ATOM 602 O ILE A 42 3.027 10.510 -2.467 1.00 0.00 O ATOM 603 CB ILE A 42 5.396 12.364 -1.362 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.096 11.200 -0.657 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.970 13.718 -0.939 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.603 9.856 -1.198 1.00 0.00 C ATOM 0 H ILE A 42 3.431 10.560 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 42 3.568 13.351 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 42 5.584 12.254 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.174 11.280 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.910 11.255 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.046 13.727 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.502 14.510 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.771 13.883 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.116 9.045 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.529 9.769 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.812 9.795 -2.266 1.00 0.00 H new ATOM 618 N PRO A 43 2.527 12.646 -3.133 1.00 0.00 N ATOM 619 CA PRO A 43 1.755 12.233 -4.293 1.00 0.00 C ATOM 620 C PRO A 43 2.672 11.750 -5.418 1.00 0.00 C ATOM 621 O PRO A 43 2.330 10.820 -6.147 1.00 0.00 O ATOM 622 CB PRO A 43 0.937 13.456 -4.677 1.00 0.00 C ATOM 623 CG PRO A 43 1.621 14.640 -4.012 1.00 0.00 C ATOM 624 CD PRO A 43 2.596 14.097 -2.981 1.00 0.00 C ATOM 0 HA PRO A 43 1.104 11.384 -4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.905 13.581 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.094 13.359 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.146 15.243 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.885 15.288 -3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.606 14.466 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.317 14.403 -1.973 1.00 0.00 H new ATOM 632 N GLY A 44 3.819 12.404 -5.526 1.00 0.00 N ATOM 633 CA GLY A 44 4.788 12.053 -6.550 1.00 0.00 C ATOM 634 C GLY A 44 4.852 10.537 -6.748 1.00 0.00 C ATOM 635 O GLY A 44 4.839 10.053 -7.879 1.00 0.00 O ATOM 0 H GLY A 44 4.099 13.176 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.520 12.535 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.772 12.428 -6.269 1.00 0.00 H new ATOM 639 N VAL A 45 4.920 9.829 -5.630 1.00 0.00 N ATOM 640 CA VAL A 45 4.986 8.378 -5.665 1.00 0.00 C ATOM 641 C VAL A 45 3.567 7.807 -5.670 1.00 0.00 C ATOM 642 O VAL A 45 2.599 8.538 -5.464 1.00 0.00 O ATOM 643 CB VAL A 45 5.833 7.864 -4.500 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.922 8.872 -4.127 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.957 7.530 -3.291 1.00 0.00 C ATOM 0 H VAL A 45 4.931 10.234 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 45 5.475 8.040 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 45 6.324 6.945 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.510 8.482 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.573 9.039 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.460 9.815 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.584 7.167 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.426 8.425 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.236 6.760 -3.566 1.00 0.00 H new ATOM 655 N PRO A 46 3.485 6.472 -5.914 1.00 0.00 N ATOM 656 CA PRO A 46 2.200 5.794 -5.948 1.00 0.00 C ATOM 657 C PRO A 46 1.642 5.605 -4.536 1.00 0.00 C ATOM 658 O PRO A 46 1.899 4.588 -3.894 1.00 0.00 O ATOM 659 CB PRO A 46 2.467 4.479 -6.662 1.00 0.00 C ATOM 660 CG PRO A 46 3.970 4.263 -6.588 1.00 0.00 C ATOM 661 CD PRO A 46 4.610 5.575 -6.163 1.00 0.00 C ATOM 0 HA PRO A 46 1.436 6.368 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.931 3.659 -6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.129 4.521 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.207 3.474 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.358 3.945 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.220 5.447 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.264 5.967 -6.942 1.00 0.00 H new ATOM 669 N TRP A 47 0.888 6.601 -4.094 1.00 0.00 N ATOM 670 CA TRP A 47 0.292 6.558 -2.770 1.00 0.00 C ATOM 671 C TRP A 47 0.083 5.090 -2.394 1.00 0.00 C ATOM 672 O TRP A 47 0.584 4.630 -1.369 1.00 0.00 O ATOM 673 CB TRP A 47 -1.000 7.377 -2.724 1.00 0.00 C ATOM 674 CG TRP A 47 -0.793 8.844 -2.344 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.303 9.595 -2.519 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.758 9.714 -1.715 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.116 10.880 -2.050 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.177 10.954 -1.546 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.078 9.461 -1.303 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.841 12.039 -0.962 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.729 10.555 -0.720 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.158 11.810 -0.543 1.00 0.00 C ATOM 0 H TRP A 47 0.676 7.443 -4.630 1.00 0.00 H new ATOM 0 HA TRP A 47 0.953 7.015 -2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.483 7.330 -3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.683 6.920 -2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.218 9.240 -2.970 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.801 11.636 -2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.553 8.499 -1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.364 13.000 -0.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.746 10.414 -0.384 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.727 12.605 -0.084 1.00 0.00 H new ATOM 693 N CYS A 48 -0.658 4.394 -3.244 1.00 0.00 N ATOM 694 CA CYS A 48 -0.940 2.987 -3.013 1.00 0.00 C ATOM 695 C CYS A 48 0.172 2.162 -3.665 1.00 0.00 C ATOM 696 O CYS A 48 0.482 2.349 -4.840 1.00 0.00 O ATOM 697 CB CYS A 48 -2.323 2.594 -3.535 1.00 0.00 C ATOM 698 SG CYS A 48 -3.046 1.107 -2.750 1.00 0.00 S ATOM 0 H CYS A 48 -1.072 4.778 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.959 2.788 -1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.003 3.433 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.255 2.424 -4.610 1.00 0.00 H new ATOM 703 N PHE A 49 0.742 1.265 -2.872 1.00 0.00 N ATOM 704 CA PHE A 49 1.812 0.411 -3.357 1.00 0.00 C ATOM 705 C PHE A 49 1.830 -0.924 -2.609 1.00 0.00 C ATOM 706 O PHE A 49 1.225 -1.052 -1.546 1.00 0.00 O ATOM 707 CB PHE A 49 3.127 1.147 -3.093 1.00 0.00 C ATOM 708 CG PHE A 49 3.242 1.728 -1.682 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.443 0.902 -0.621 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.144 3.071 -1.489 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.551 1.440 0.689 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.251 3.610 -0.180 1.00 0.00 C ATOM 713 CZ PHE A 49 3.452 2.783 0.881 1.00 0.00 C ATOM 0 H PHE A 49 0.482 1.112 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 49 1.669 0.201 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.956 0.460 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.231 1.955 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.521 -0.164 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.985 3.727 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.712 0.784 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.173 4.676 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.533 3.193 1.877 1.00 0.00 H new ATOM 723 N LYS A 50 2.530 -1.884 -3.194 1.00 0.00 N ATOM 724 CA LYS A 50 2.634 -3.205 -2.597 1.00 0.00 C ATOM 725 C LYS A 50 3.402 -3.103 -1.277 1.00 0.00 C ATOM 726 O LYS A 50 4.055 -2.095 -1.011 1.00 0.00 O ATOM 727 CB LYS A 50 3.245 -4.196 -3.589 1.00 0.00 C ATOM 728 CG LYS A 50 2.617 -4.041 -4.976 1.00 0.00 C ATOM 729 CD LYS A 50 2.977 -5.224 -5.877 1.00 0.00 C ATOM 730 CE LYS A 50 2.065 -6.421 -5.602 1.00 0.00 C ATOM 731 NZ LYS A 50 1.924 -7.255 -6.816 1.00 0.00 N ATOM 0 H LYS A 50 3.031 -1.774 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 50 1.644 -3.596 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.321 -4.035 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.096 -5.214 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.534 -3.967 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.961 -3.113 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.890 -4.929 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.016 -5.509 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.476 -7.019 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.085 -6.072 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.302 -8.063 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.512 -6.686 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.859 -7.603 -7.108 1.00 0.00 H new ATOM 745 N PRO A 51 3.297 -4.190 -0.466 1.00 0.00 N ATOM 746 CA PRO A 51 3.974 -4.232 0.819 1.00 0.00 C ATOM 747 C PRO A 51 5.475 -4.468 0.641 1.00 0.00 C ATOM 748 O PRO A 51 5.883 -5.455 0.030 1.00 0.00 O ATOM 749 CB PRO A 51 3.285 -5.346 1.590 1.00 0.00 C ATOM 750 CG PRO A 51 2.566 -6.191 0.550 1.00 0.00 C ATOM 751 CD PRO A 51 2.533 -5.401 -0.749 1.00 0.00 C ATOM 0 HA PRO A 51 3.906 -3.289 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.009 -5.942 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.582 -4.940 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.082 -7.141 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.554 -6.425 0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.977 -5.967 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.510 -5.164 -1.043 1.00 0.00 H new ATOM 759 N LEU A 52 6.255 -3.546 1.184 1.00 0.00 N ATOM 760 CA LEU A 52 7.702 -3.641 1.092 1.00 0.00 C ATOM 761 C LEU A 52 8.116 -5.114 1.133 1.00 0.00 C ATOM 762 O LEU A 52 7.743 -5.842 2.052 1.00 0.00 O ATOM 763 CB LEU A 52 8.365 -2.786 2.174 1.00 0.00 C ATOM 764 CG LEU A 52 9.886 -2.914 2.291 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.448 -1.886 3.275 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.289 -4.342 2.663 1.00 0.00 C ATOM 0 H LEU A 52 5.913 -2.729 1.690 1.00 0.00 H new ATOM 0 HA LEU A 52 8.050 -3.238 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.122 -1.741 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.923 -3.046 3.136 1.00 0.00 H new ATOM 0 HG LEU A 52 10.323 -2.700 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.530 -1.998 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.207 -0.881 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.007 -2.045 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.374 -4.405 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.841 -4.609 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.939 -5.031 1.894 1.00 0.00 H new ATOM 778 N GLN A 53 8.880 -5.509 0.126 1.00 0.00 N ATOM 779 CA GLN A 53 9.348 -6.882 0.035 1.00 0.00 C ATOM 780 C GLN A 53 10.365 -7.170 1.142 1.00 0.00 C ATOM 781 O GLN A 53 11.503 -7.543 0.862 1.00 0.00 O ATOM 782 CB GLN A 53 9.944 -7.168 -1.345 1.00 0.00 C ATOM 783 CG GLN A 53 10.606 -5.917 -1.927 1.00 0.00 C ATOM 784 CD GLN A 53 11.460 -5.209 -0.873 1.00 0.00 C ATOM 785 OE1 GLN A 53 12.385 -5.768 -0.308 1.00 0.00 O ATOM 786 NE2 GLN A 53 11.099 -3.950 -0.642 1.00 0.00 N ATOM 0 H GLN A 53 9.187 -4.903 -0.634 1.00 0.00 H new ATOM 0 HA GLN A 53 8.494 -7.546 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.678 -7.970 -1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.161 -7.516 -2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.228 -6.193 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.841 -5.235 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.314 -3.543 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.607 -3.391 0.044 1.00 0.00 H new ATOM 795 N GLU A 54 9.917 -6.987 2.375 1.00 0.00 N ATOM 796 CA GLU A 54 10.773 -7.223 3.525 1.00 0.00 C ATOM 797 C GLU A 54 11.677 -8.432 3.275 1.00 0.00 C ATOM 798 O GLU A 54 11.190 -9.541 3.062 1.00 0.00 O ATOM 799 CB GLU A 54 9.944 -7.412 4.797 1.00 0.00 C ATOM 800 CG GLU A 54 9.486 -8.865 4.941 1.00 0.00 C ATOM 801 CD GLU A 54 8.691 -9.315 3.714 1.00 0.00 C ATOM 802 OE1 GLU A 54 7.912 -8.480 3.205 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.880 -10.483 3.312 1.00 0.00 O ATOM 0 H GLU A 54 8.972 -6.678 2.603 1.00 0.00 H new ATOM 0 HA GLU A 54 11.404 -6.346 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.535 -7.125 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.075 -6.754 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.353 -9.512 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.871 -8.969 5.835 1.00 0.00 H new ATOM 810 N ALA A 55 12.976 -8.176 3.309 1.00 0.00 N ATOM 811 CA ALA A 55 13.952 -9.229 3.088 1.00 0.00 C ATOM 812 C ALA A 55 15.205 -8.940 3.917 1.00 0.00 C ATOM 813 O ALA A 55 16.100 -8.225 3.467 1.00 0.00 O ATOM 814 CB ALA A 55 14.256 -9.340 1.593 1.00 0.00 C ATOM 0 H ALA A 55 13.376 -7.254 3.486 1.00 0.00 H new ATOM 0 HA ALA A 55 13.556 -10.191 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.988 -10.130 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.340 -9.576 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.657 -8.393 1.232 1.00 0.00 H new ATOM 820 N GLU A 56 15.229 -9.509 5.113 1.00 0.00 N ATOM 821 CA GLU A 56 16.358 -9.321 6.009 1.00 0.00 C ATOM 822 C GLU A 56 17.492 -10.280 5.643 1.00 0.00 C ATOM 823 O GLU A 56 18.585 -9.845 5.281 1.00 0.00 O ATOM 824 CB GLU A 56 15.935 -9.502 7.469 1.00 0.00 C ATOM 825 CG GLU A 56 16.446 -8.349 8.335 1.00 0.00 C ATOM 826 CD GLU A 56 15.314 -7.377 8.676 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.063 -6.483 7.839 1.00 0.00 O ATOM 828 OE2 GLU A 56 14.726 -7.550 9.765 1.00 0.00 O ATOM 0 H GLU A 56 14.485 -10.100 5.483 1.00 0.00 H new ATOM 0 HA GLU A 56 16.722 -8.300 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.848 -9.555 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.323 -10.447 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.880 -8.744 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.240 -7.819 7.809 1.00 0.00 H new ATOM 835 N CYS A 57 17.194 -11.566 5.749 1.00 0.00 N ATOM 836 CA CYS A 57 18.175 -12.590 5.434 1.00 0.00 C ATOM 837 C CYS A 57 18.899 -12.183 4.149 1.00 0.00 C ATOM 838 O CYS A 57 18.261 -11.908 3.134 1.00 0.00 O ATOM 839 CB CYS A 57 17.531 -13.973 5.312 1.00 0.00 C ATOM 840 SG CYS A 57 17.376 -14.889 6.888 1.00 0.00 S ATOM 0 H CYS A 57 16.287 -11.923 6.049 1.00 0.00 H new ATOM 0 HA CYS A 57 18.896 -12.668 6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.539 -13.859 4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 57 18.119 -14.572 4.616 1.00 0.00 H new ATOM 0 HG CYS A 57 16.817 -16.042 6.667 1.00 0.00 H new ATOM 845 N THR A 58 20.221 -12.156 4.236 1.00 0.00 N ATOM 846 CA THR A 58 21.038 -11.786 3.093 1.00 0.00 C ATOM 847 C THR A 58 21.921 -12.961 2.666 1.00 0.00 C ATOM 848 O THR A 58 22.070 -13.931 3.407 1.00 0.00 O ATOM 849 CB THR A 58 21.833 -10.533 3.465 1.00 0.00 C ATOM 850 OG1 THR A 58 22.470 -10.152 2.249 1.00 0.00 O ATOM 851 CG2 THR A 58 22.993 -10.836 4.415 1.00 0.00 C ATOM 0 H THR A 58 20.746 -12.384 5.080 1.00 0.00 H new ATOM 0 HA THR A 58 20.421 -11.551 2.226 1.00 0.00 H new ATOM 0 HB THR A 58 21.167 -9.805 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.006 -9.345 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 58 23.524 -9.913 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 58 22.605 -11.273 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 58 23.678 -11.539 3.941 1.00 0.00 H new ATOM 859 N PHE A 59 22.483 -12.834 1.473 1.00 0.00 N ATOM 860 CA PHE A 59 23.347 -13.873 0.939 1.00 0.00 C ATOM 861 C PHE A 59 22.680 -15.246 1.038 1.00 0.00 C ATOM 862 O PHE A 59 21.454 -15.345 1.034 1.00 0.00 O ATOM 863 CB PHE A 59 24.620 -13.876 1.788 1.00 0.00 C ATOM 864 CG PHE A 59 25.913 -13.932 0.971 1.00 0.00 C ATOM 865 CD1 PHE A 59 26.191 -15.027 0.213 1.00 0.00 C ATOM 866 CD2 PHE A 59 26.783 -12.888 1.002 1.00 0.00 C ATOM 867 CE1 PHE A 59 27.391 -15.079 -0.545 1.00 0.00 C ATOM 868 CE2 PHE A 59 27.983 -12.940 0.244 1.00 0.00 C ATOM 869 CZ PHE A 59 28.261 -14.034 -0.514 1.00 0.00 C ATOM 0 H PHE A 59 22.357 -12.028 0.861 1.00 0.00 H new ATOM 0 HA PHE A 59 23.559 -13.677 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 59 24.633 -12.980 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 59 24.592 -14.731 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 59 25.500 -15.856 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 59 26.562 -12.019 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 59 27.613 -15.948 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 59 28.674 -12.111 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 59 29.173 -14.073 -1.092 1.00 0.00 H new TER 879 PHE A 59