USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 344 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 37:sc= 1.28 USER MOD Single : A 9 ASN : amide:sc= 0.0364 K(o=0.036,f=-7.2!) USER MOD Single : A 11 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.53) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 71:sc= 0.566 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 0.95 (180deg=0.707) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 80:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.226 -5.110 0.573 1.00 10.00 N ATOM 14 CA ILE A 2 -3.652 -5.371 -0.747 1.00 10.00 C ATOM 15 C ILE A 2 -3.999 -6.780 -1.265 1.00 10.00 C ATOM 16 O ILE A 2 -4.361 -7.684 -0.506 1.00 10.00 O ATOM 17 CB ILE A 2 -2.117 -5.143 -0.743 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.406 -5.963 0.359 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.804 -3.640 -0.626 1.00 10.00 C ATOM 20 CD1 ILE A 2 0.109 -6.080 0.159 1.00 10.00 C ATOM 0 HA ILE A 2 -4.102 -4.657 -1.436 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.723 -5.504 -1.693 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -1.601 -5.501 1.327 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.838 -6.963 0.391 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.724 -3.492 -0.624 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.241 -3.110 -1.472 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.225 -3.252 0.302 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.539 -6.668 0.970 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.314 -6.570 -0.793 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.554 -5.085 0.158 1.00 10.00 H new ATOM 32 N LYS A 3 -3.792 -6.965 -2.567 1.00 10.00 N ATOM 33 CA LYS A 3 -3.793 -8.221 -3.301 1.00 10.00 C ATOM 34 C LYS A 3 -2.485 -8.278 -4.091 1.00 10.00 C ATOM 35 O LYS A 3 -1.837 -7.250 -4.318 1.00 10.00 O ATOM 36 CB LYS A 3 -4.999 -8.277 -4.260 1.00 10.00 C ATOM 37 CG LYS A 3 -6.334 -8.496 -3.534 1.00 10.00 C ATOM 38 CD LYS A 3 -7.495 -8.567 -4.537 1.00 10.00 C ATOM 39 CE LYS A 3 -8.776 -9.033 -3.831 1.00 10.00 C ATOM 40 NZ LYS A 3 -9.946 -9.041 -4.741 1.00 10.00 N ATOM 0 H LYS A 3 -3.604 -6.174 -3.183 1.00 10.00 H new ATOM 0 HA LYS A 3 -3.872 -9.069 -2.620 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.049 -7.347 -4.827 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -4.847 -9.082 -4.979 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.291 -9.418 -2.955 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.507 -7.684 -2.828 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.655 -7.588 -4.989 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.246 -9.254 -5.345 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -8.623 -10.035 -3.429 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -8.981 -8.378 -2.984 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -10.788 -9.362 -4.221 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -10.109 -8.081 -5.105 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -9.763 -9.686 -5.536 1.00 10.00 H new ATOM 54 N LEU A 4 -2.124 -9.476 -4.543 1.00 10.00 N ATOM 55 CA LEU A 4 -0.993 -9.726 -5.428 1.00 10.00 C ATOM 56 C LEU A 4 -1.596 -10.291 -6.707 1.00 10.00 C ATOM 57 O LEU A 4 -2.487 -11.142 -6.636 1.00 10.00 O ATOM 58 CB LEU A 4 -0.009 -10.725 -4.790 1.00 10.00 C ATOM 59 CG LEU A 4 0.612 -10.264 -3.456 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.539 -11.354 -2.909 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.402 -8.961 -3.604 1.00 10.00 C ATOM 0 H LEU A 4 -2.628 -10.327 -4.294 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.422 -8.818 -5.622 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.529 -11.669 -4.625 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.795 -10.923 -5.499 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.210 -10.082 -2.764 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.974 -11.022 -1.967 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.968 -12.268 -2.743 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.335 -11.549 -3.628 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.820 -8.677 -2.638 1.00 10.00 H new ATOM 0 HD22 LEU A 4 2.210 -9.105 -4.321 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.739 -8.172 -3.958 1.00 10.00 H new ATOM 73 N VAL A 5 -1.157 -9.800 -7.865 1.00 10.00 N ATOM 74 CA VAL A 5 -1.860 -10.011 -9.129 1.00 10.00 C ATOM 75 C VAL A 5 -0.821 -10.276 -10.222 1.00 10.00 C ATOM 76 O VAL A 5 0.285 -9.733 -10.163 1.00 10.00 O ATOM 77 CB VAL A 5 -2.748 -8.781 -9.451 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.766 -9.123 -10.550 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.545 -8.241 -8.247 1.00 10.00 C ATOM 0 H VAL A 5 -0.305 -9.246 -7.953 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.523 -10.874 -9.065 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.045 -8.010 -9.768 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.380 -8.248 -10.762 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.238 -9.424 -11.455 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.404 -9.941 -10.214 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.139 -7.382 -8.559 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.206 -9.021 -7.869 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -2.854 -7.938 -7.460 1.00 10.00 H new ATOM 89 N GLN A 6 -1.171 -11.109 -11.210 1.00 10.00 N ATOM 90 CA GLN A 6 -0.322 -11.480 -12.338 1.00 10.00 C ATOM 91 C GLN A 6 -1.233 -11.652 -13.554 1.00 10.00 C ATOM 92 O GLN A 6 -2.197 -12.419 -13.460 1.00 10.00 O ATOM 93 CB GLN A 6 0.400 -12.817 -12.060 1.00 10.00 C ATOM 94 CG GLN A 6 1.172 -12.876 -10.733 1.00 10.00 C ATOM 95 CD GLN A 6 1.955 -14.182 -10.568 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.446 -15.274 -10.814 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.200 -14.109 -10.125 1.00 10.00 N ATOM 0 H GLN A 6 -2.087 -11.557 -11.243 1.00 10.00 H new ATOM 0 HA GLN A 6 0.432 -10.711 -12.505 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.338 -13.619 -12.070 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.095 -13.013 -12.876 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.861 -12.033 -10.680 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.472 -12.768 -9.904 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.617 -13.200 -9.923 1.00 10.00 H new ATOM 0 HE22 GLN A 6 3.743 -14.961 -9.986 1.00 10.00 H new ATOM 106 N SER A 7 -0.968 -10.977 -14.676 1.00 10.00 N ATOM 107 CA SER A 7 -1.641 -11.200 -15.962 1.00 10.00 C ATOM 108 C SER A 7 -0.898 -10.472 -17.086 1.00 10.00 C ATOM 109 O SER A 7 -0.247 -9.457 -16.833 1.00 10.00 O ATOM 110 CB SER A 7 -3.093 -10.700 -15.921 1.00 10.00 C ATOM 111 OG SER A 7 -3.906 -11.704 -15.363 1.00 10.00 O ATOM 0 H SER A 7 -0.262 -10.242 -14.718 1.00 10.00 H new ATOM 0 HA SER A 7 -1.639 -12.273 -16.152 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.161 -9.788 -15.328 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.435 -10.453 -16.926 1.00 10.00 H new ATOM 0 HG SER A 7 -3.416 -12.162 -14.649 1.00 10.00 H new ATOM 117 N PRO A 8 -0.988 -10.948 -18.341 1.00 10.00 N ATOM 118 CA PRO A 8 -0.244 -10.366 -19.453 1.00 10.00 C ATOM 119 C PRO A 8 -0.751 -8.976 -19.861 1.00 10.00 C ATOM 120 O PRO A 8 0.023 -8.202 -20.426 1.00 10.00 O ATOM 121 CB PRO A 8 -0.360 -11.381 -20.596 1.00 10.00 C ATOM 122 CG PRO A 8 -1.666 -12.116 -20.301 1.00 10.00 C ATOM 123 CD PRO A 8 -1.706 -12.141 -18.775 1.00 10.00 C ATOM 0 HA PRO A 8 0.794 -10.190 -19.171 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.390 -10.888 -21.567 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.489 -12.065 -20.611 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.527 -11.594 -20.719 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.668 -13.122 -20.722 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.733 -12.134 -18.410 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.236 -13.044 -18.386 1.00 10.00 H new ATOM 131 N ASN A 9 -2.021 -8.638 -19.590 1.00 10.00 N ATOM 132 CA ASN A 9 -2.599 -7.363 -20.027 1.00 10.00 C ATOM 133 C ASN A 9 -2.145 -6.163 -19.183 1.00 10.00 C ATOM 134 O ASN A 9 -2.241 -5.033 -19.665 1.00 10.00 O ATOM 135 CB ASN A 9 -4.138 -7.439 -20.151 1.00 10.00 C ATOM 136 CG ASN A 9 -4.942 -7.472 -18.847 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.440 -7.202 -17.762 1.00 10.00 O ATOM 138 ND2 ASN A 9 -6.218 -7.811 -18.934 1.00 10.00 N ATOM 0 H ASN A 9 -2.666 -9.232 -19.069 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.201 -7.184 -21.026 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.473 -6.581 -20.734 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.388 -8.331 -20.725 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.794 -7.850 -18.093 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -6.626 -8.034 -19.842 1.00 10.00 H new ATOM 145 N GLY A 10 -1.634 -6.384 -17.962 1.00 10.00 N ATOM 146 CA GLY A 10 -1.165 -5.335 -17.056 1.00 10.00 C ATOM 147 C GLY A 10 -2.161 -4.197 -16.827 1.00 10.00 C ATOM 148 O GLY A 10 -1.726 -3.057 -16.646 1.00 10.00 O ATOM 0 H GLY A 10 -1.535 -7.321 -17.572 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -0.922 -5.786 -16.094 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.241 -4.916 -17.454 1.00 10.00 H new ATOM 152 N ASN A 11 -3.465 -4.485 -16.891 1.00 10.00 N ATOM 153 CA ASN A 11 -4.551 -3.507 -16.865 1.00 10.00 C ATOM 154 C ASN A 11 -4.439 -2.559 -15.662 1.00 10.00 C ATOM 155 O ASN A 11 -4.712 -2.955 -14.528 1.00 10.00 O ATOM 156 CB ASN A 11 -5.892 -4.255 -16.869 1.00 10.00 C ATOM 157 CG ASN A 11 -7.091 -3.341 -16.630 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.088 -2.164 -16.980 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.147 -3.874 -16.043 1.00 10.00 N ATOM 0 H ASN A 11 -3.803 -5.444 -16.965 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.484 -2.879 -17.754 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.015 -4.762 -17.826 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -5.873 -5.027 -16.099 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -8.977 -3.306 -15.874 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.132 -4.853 -15.759 1.00 10.00 H new ATOM 166 N PHE A 12 -4.028 -1.311 -15.912 1.00 10.00 N ATOM 167 CA PHE A 12 -3.898 -0.280 -14.891 1.00 10.00 C ATOM 168 C PHE A 12 -5.295 0.215 -14.496 1.00 10.00 C ATOM 169 O PHE A 12 -5.940 0.938 -15.260 1.00 10.00 O ATOM 170 CB PHE A 12 -3.002 0.857 -15.407 1.00 10.00 C ATOM 171 CG PHE A 12 -2.862 2.032 -14.454 1.00 10.00 C ATOM 172 CD1 PHE A 12 -2.080 1.914 -13.288 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.507 3.252 -14.737 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.950 3.006 -12.411 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.366 4.346 -13.865 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.592 4.223 -12.699 1.00 10.00 C ATOM 0 H PHE A 12 -3.774 -0.990 -16.846 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.421 -0.686 -13.999 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -2.011 0.455 -15.616 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.405 1.219 -16.353 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.579 0.983 -13.067 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.112 3.347 -15.627 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.356 2.909 -11.514 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.854 5.283 -14.092 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.490 5.061 -12.026 1.00 10.00 H new ATOM 186 N ALA A 13 -5.771 -0.189 -13.314 1.00 10.00 N ATOM 187 CA ALA A 13 -7.118 0.125 -12.835 1.00 10.00 C ATOM 188 C ALA A 13 -7.225 1.488 -12.125 1.00 10.00 C ATOM 189 O ALA A 13 -8.343 1.937 -11.870 1.00 10.00 O ATOM 190 CB ALA A 13 -7.583 -1.003 -11.906 1.00 10.00 C ATOM 0 H ALA A 13 -5.226 -0.748 -12.658 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.765 0.202 -13.709 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.586 -0.783 -11.541 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.595 -1.945 -12.455 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.899 -1.084 -11.061 1.00 10.00 H new ATOM 196 N ALA A 14 -6.097 2.146 -11.824 1.00 10.00 N ATOM 197 CA ALA A 14 -5.942 3.366 -11.021 1.00 10.00 C ATOM 198 C ALA A 14 -6.566 3.300 -9.616 1.00 10.00 C ATOM 199 O ALA A 14 -5.826 3.232 -8.632 1.00 10.00 O ATOM 200 CB ALA A 14 -6.416 4.600 -11.805 1.00 10.00 C ATOM 0 H ALA A 14 -5.196 1.811 -12.164 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.872 3.458 -10.833 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.292 5.491 -11.190 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.825 4.702 -12.715 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.468 4.483 -12.066 1.00 10.00 H new ATOM 206 N SER A 15 -7.893 3.325 -9.496 1.00 10.00 N ATOM 207 CA SER A 15 -8.622 3.362 -8.233 1.00 10.00 C ATOM 208 C SER A 15 -10.100 3.022 -8.461 1.00 10.00 C ATOM 209 O SER A 15 -10.589 3.082 -9.595 1.00 10.00 O ATOM 210 CB SER A 15 -8.457 4.742 -7.565 1.00 10.00 C ATOM 211 OG SER A 15 -8.635 5.813 -8.482 1.00 10.00 O ATOM 0 H SER A 15 -8.511 3.320 -10.307 1.00 10.00 H new ATOM 0 HA SER A 15 -8.208 2.611 -7.560 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.178 4.838 -6.754 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.465 4.810 -7.119 1.00 10.00 H new ATOM 0 HG SER A 15 -8.523 6.667 -8.014 1.00 10.00 H new ATOM 217 N PHE A 16 -10.813 2.653 -7.391 1.00 10.00 N ATOM 218 CA PHE A 16 -12.219 2.256 -7.411 1.00 10.00 C ATOM 219 C PHE A 16 -12.807 2.417 -6.000 1.00 10.00 C ATOM 220 O PHE A 16 -12.080 2.703 -5.045 1.00 10.00 O ATOM 221 CB PHE A 16 -12.314 0.795 -7.897 1.00 10.00 C ATOM 222 CG PHE A 16 -13.698 0.273 -8.242 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.497 0.947 -9.188 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.166 -0.923 -7.662 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.761 0.438 -9.536 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.425 -1.437 -8.022 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.225 -0.754 -8.954 1.00 10.00 C ATOM 0 H PHE A 16 -10.409 2.623 -6.455 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.791 2.886 -8.092 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.682 0.689 -8.779 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.892 0.152 -7.124 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.138 1.856 -9.647 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.557 -1.446 -6.940 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.376 0.964 -10.251 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.777 -2.358 -7.581 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.195 -1.145 -9.223 1.00 10.00 H new ATOM 237 N VAL A 17 -14.113 2.190 -5.852 1.00 10.00 N ATOM 238 CA VAL A 17 -14.814 2.157 -4.574 1.00 10.00 C ATOM 239 C VAL A 17 -15.734 0.935 -4.638 1.00 10.00 C ATOM 240 O VAL A 17 -16.447 0.747 -5.626 1.00 10.00 O ATOM 241 CB VAL A 17 -15.579 3.479 -4.331 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.376 3.444 -3.016 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.628 4.686 -4.271 1.00 10.00 C ATOM 0 H VAL A 17 -14.729 2.019 -6.646 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.131 2.069 -3.729 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.260 3.585 -5.175 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.899 4.391 -2.882 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -17.101 2.631 -3.051 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.694 3.285 -2.181 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.204 5.595 -4.099 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.916 4.548 -3.457 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.089 4.771 -5.214 1.00 10.00 H new ATOM 253 N LEU A 18 -15.699 0.096 -3.601 1.00 10.00 N ATOM 254 CA LEU A 18 -16.455 -1.149 -3.503 1.00 10.00 C ATOM 255 C LEU A 18 -16.691 -1.412 -2.022 1.00 10.00 C ATOM 256 O LEU A 18 -15.768 -1.240 -1.225 1.00 10.00 O ATOM 257 CB LEU A 18 -15.649 -2.301 -4.141 1.00 10.00 C ATOM 258 CG LEU A 18 -16.259 -3.709 -3.975 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.583 -3.856 -4.734 1.00 10.00 C ATOM 260 CD2 LEU A 18 -15.267 -4.763 -4.483 1.00 10.00 C ATOM 0 H LEU A 18 -15.122 0.273 -2.779 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.405 -1.078 -4.032 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.536 -2.096 -5.206 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.648 -2.304 -3.709 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.462 -3.856 -2.914 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.976 -4.862 -4.589 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -18.301 -3.128 -4.357 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.414 -3.682 -5.797 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -15.700 -5.757 -4.365 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -15.053 -4.583 -5.537 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -14.343 -4.699 -3.909 1.00 10.00 H new ATOM 272 N ASP A 19 -17.906 -1.845 -1.677 1.00 10.00 N ATOM 273 CA ASP A 19 -18.357 -2.169 -0.319 1.00 10.00 C ATOM 274 C ASP A 19 -17.950 -1.103 0.708 1.00 10.00 C ATOM 275 O ASP A 19 -17.339 -1.388 1.741 1.00 10.00 O ATOM 276 CB ASP A 19 -17.949 -3.599 0.067 1.00 10.00 C ATOM 277 CG ASP A 19 -18.560 -4.031 1.414 1.00 10.00 C ATOM 278 OD1 ASP A 19 -19.756 -3.757 1.668 1.00 10.00 O ATOM 279 OD2 ASP A 19 -17.868 -4.710 2.208 1.00 10.00 O ATOM 0 H ASP A 19 -18.640 -1.987 -2.371 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.447 -2.149 -0.312 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -18.268 -4.290 -0.714 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -16.862 -3.663 0.125 1.00 10.00 H new ATOM 284 N GLY A 20 -18.246 0.161 0.381 1.00 10.00 N ATOM 285 CA GLY A 20 -18.013 1.309 1.254 1.00 10.00 C ATOM 286 C GLY A 20 -16.535 1.522 1.597 1.00 10.00 C ATOM 287 O GLY A 20 -16.229 2.137 2.621 1.00 10.00 O ATOM 0 H GLY A 20 -18.662 0.415 -0.515 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.400 2.207 0.772 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.577 1.175 2.177 1.00 10.00 H new ATOM 291 N THR A 21 -15.626 1.019 0.761 1.00 10.00 N ATOM 292 CA THR A 21 -14.186 1.042 0.966 1.00 10.00 C ATOM 293 C THR A 21 -13.566 1.574 -0.330 1.00 10.00 C ATOM 294 O THR A 21 -14.092 1.318 -1.418 1.00 10.00 O ATOM 295 CB THR A 21 -13.726 -0.389 1.323 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.494 -0.916 2.394 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.250 -0.464 1.727 1.00 10.00 C ATOM 0 H THR A 21 -15.890 0.566 -0.114 1.00 10.00 H new ATOM 0 HA THR A 21 -13.874 1.688 1.787 1.00 10.00 H new ATOM 0 HB THR A 21 -13.870 -0.973 0.414 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.405 -1.102 2.083 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.990 -1.495 1.965 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.629 -0.114 0.902 1.00 10.00 H new ATOM 0 HG23 THR A 21 -12.080 0.164 2.601 1.00 10.00 H new ATOM 305 N LYS A 22 -12.473 2.338 -0.229 1.00 10.00 N ATOM 306 CA LYS A 22 -11.752 2.865 -1.388 1.00 10.00 C ATOM 307 C LYS A 22 -10.597 1.923 -1.719 1.00 10.00 C ATOM 308 O LYS A 22 -10.043 1.270 -0.831 1.00 10.00 O ATOM 309 CB LYS A 22 -11.277 4.299 -1.093 1.00 10.00 C ATOM 310 CG LYS A 22 -10.721 5.001 -2.344 1.00 10.00 C ATOM 311 CD LYS A 22 -10.420 6.479 -2.070 1.00 10.00 C ATOM 312 CE LYS A 22 -9.915 7.153 -3.354 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.619 8.594 -3.152 1.00 10.00 N ATOM 0 H LYS A 22 -12.063 2.608 0.665 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.403 2.917 -2.261 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.109 4.879 -0.693 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.507 4.273 -0.322 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.811 4.498 -2.671 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.441 4.920 -3.159 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.318 6.983 -1.713 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.671 6.567 -1.283 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -9.015 6.644 -3.700 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.664 7.044 -4.138 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -9.281 9.007 -4.045 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.483 9.086 -2.847 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.885 8.699 -2.423 1.00 10.00 H new ATOM 327 N TRP A 23 -10.227 1.878 -2.994 1.00 10.00 N ATOM 328 CA TRP A 23 -9.307 0.917 -3.575 1.00 10.00 C ATOM 329 C TRP A 23 -8.404 1.710 -4.534 1.00 10.00 C ATOM 330 O TRP A 23 -8.896 2.623 -5.202 1.00 10.00 O ATOM 331 CB TRP A 23 -10.173 -0.165 -4.257 1.00 10.00 C ATOM 332 CG TRP A 23 -11.069 -0.955 -3.340 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.313 -0.586 -2.973 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.829 -2.226 -2.652 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.840 -1.490 -2.076 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.974 -2.538 -1.855 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.768 -3.159 -2.623 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -12.056 -3.702 -1.074 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.836 -4.329 -1.843 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.978 -4.603 -1.069 1.00 10.00 C ATOM 0 H TRP A 23 -10.580 2.545 -3.681 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.658 0.407 -2.864 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.792 0.315 -5.015 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.513 -0.859 -4.777 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.825 0.295 -3.332 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.754 -1.395 -1.633 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.884 -2.970 -3.213 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.938 -3.902 -0.484 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -9.006 -5.020 -1.839 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -11.026 -5.502 -0.473 1.00 10.00 H new ATOM 351 N ILE A 24 -7.094 1.434 -4.584 1.00 10.00 N ATOM 352 CA ILE A 24 -6.097 2.269 -5.263 1.00 10.00 C ATOM 353 C ILE A 24 -4.854 1.457 -5.687 1.00 10.00 C ATOM 354 O ILE A 24 -4.578 0.378 -5.156 1.00 10.00 O ATOM 355 CB ILE A 24 -5.762 3.477 -4.344 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.909 4.540 -5.073 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.117 3.042 -3.011 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.904 5.906 -4.378 1.00 10.00 C ATOM 0 H ILE A 24 -6.691 0.607 -4.144 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.506 2.651 -6.198 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.714 3.945 -4.093 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.884 4.179 -5.153 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.284 4.660 -6.089 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.903 3.923 -2.406 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.803 2.389 -2.471 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.189 2.506 -3.213 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.285 6.601 -4.946 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.923 6.290 -4.322 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.500 5.800 -3.371 1.00 10.00 H new ATOM 370 N PHE A 25 -4.112 1.971 -6.673 1.00 10.00 N ATOM 371 CA PHE A 25 -2.800 1.493 -7.110 1.00 10.00 C ATOM 372 C PHE A 25 -1.780 1.436 -5.960 1.00 10.00 C ATOM 373 O PHE A 25 -1.893 2.186 -4.986 1.00 10.00 O ATOM 374 CB PHE A 25 -2.312 2.429 -8.233 1.00 10.00 C ATOM 375 CG PHE A 25 -0.900 2.174 -8.732 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.615 1.019 -9.482 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.140 3.077 -8.433 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.688 0.768 -9.939 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.445 2.829 -8.895 1.00 10.00 C ATOM 380 CZ PHE A 25 1.720 1.677 -9.652 1.00 10.00 C ATOM 0 H PHE A 25 -4.429 2.774 -7.215 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.895 0.469 -7.472 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -2.997 2.344 -9.076 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.372 3.457 -7.876 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.406 0.319 -9.708 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.066 3.961 -7.848 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.897 -0.124 -10.511 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.238 3.526 -8.667 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.721 1.491 -10.012 1.00 10.00 H new ATOM 390 N LYS A 26 -0.740 0.600 -6.110 1.00 10.00 N ATOM 391 CA LYS A 26 0.434 0.607 -5.235 1.00 10.00 C ATOM 392 C LYS A 26 1.703 0.383 -6.074 1.00 10.00 C ATOM 393 O LYS A 26 2.516 1.307 -6.135 1.00 10.00 O ATOM 394 CB LYS A 26 0.225 -0.392 -4.075 1.00 10.00 C ATOM 395 CG LYS A 26 1.087 -0.159 -2.823 1.00 10.00 C ATOM 396 CD LYS A 26 2.583 -0.422 -3.038 1.00 10.00 C ATOM 397 CE LYS A 26 3.331 -0.431 -1.700 1.00 10.00 C ATOM 398 NZ LYS A 26 4.792 -0.613 -1.886 1.00 10.00 N ATOM 0 H LYS A 26 -0.694 -0.103 -6.848 1.00 10.00 H new ATOM 0 HA LYS A 26 0.570 1.577 -4.757 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.824 -0.362 -3.781 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.423 -1.397 -4.447 1.00 10.00 H new ATOM 0 HG2 LYS A 26 0.954 0.870 -2.489 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.727 -0.804 -2.021 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.720 -1.378 -3.543 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.002 0.345 -3.689 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.146 0.505 -1.174 1.00 10.00 H new ATOM 0 HE3 LYS A 26 2.942 -1.232 -1.072 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.263 -0.614 -0.959 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 4.971 -1.518 -2.366 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.168 0.165 -2.464 1.00 10.00 H new ATOM 412 N SER A 27 1.857 -0.754 -6.768 1.00 10.00 N ATOM 413 CA SER A 27 3.030 -1.052 -7.600 1.00 10.00 C ATOM 414 C SER A 27 2.680 -2.045 -8.719 1.00 10.00 C ATOM 415 O SER A 27 1.904 -2.974 -8.497 1.00 10.00 O ATOM 416 CB SER A 27 4.130 -1.695 -6.732 1.00 10.00 C ATOM 417 OG SER A 27 4.487 -0.914 -5.605 1.00 10.00 O ATOM 0 H SER A 27 1.162 -1.501 -6.767 1.00 10.00 H new ATOM 0 HA SER A 27 3.371 -0.114 -8.037 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.789 -2.673 -6.393 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.016 -1.860 -7.345 1.00 10.00 H new ATOM 0 HG SER A 27 5.186 -1.375 -5.096 1.00 10.00 H new ATOM 423 N LYS A 28 3.322 -1.940 -9.891 1.00 10.00 N ATOM 424 CA LYS A 28 3.357 -3.027 -10.877 1.00 10.00 C ATOM 425 C LYS A 28 4.685 -3.006 -11.635 1.00 10.00 C ATOM 426 O LYS A 28 5.363 -1.976 -11.653 1.00 10.00 O ATOM 427 CB LYS A 28 2.138 -2.993 -11.826 1.00 10.00 C ATOM 428 CG LYS A 28 2.125 -1.841 -12.848 1.00 10.00 C ATOM 429 CD LYS A 28 1.011 -2.041 -13.888 1.00 10.00 C ATOM 430 CE LYS A 28 1.067 -0.936 -14.955 1.00 10.00 C ATOM 431 NZ LYS A 28 0.537 -1.385 -16.268 1.00 10.00 N ATOM 0 H LYS A 28 3.829 -1.103 -10.180 1.00 10.00 H new ATOM 0 HA LYS A 28 3.289 -3.974 -10.342 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.096 -3.937 -12.369 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.232 -2.931 -11.223 1.00 10.00 H new ATOM 0 HG2 LYS A 28 1.979 -0.893 -12.331 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.091 -1.785 -13.350 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.118 -3.017 -14.361 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.039 -2.030 -13.395 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.495 -0.074 -14.611 1.00 10.00 H new ATOM 0 HE3 LYS A 28 2.098 -0.605 -15.077 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 0.263 -0.556 -16.834 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 1.270 -1.922 -16.773 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.294 -1.992 -16.118 1.00 10.00 H new ATOM 445 N TYR A 29 5.040 -4.123 -12.268 1.00 10.00 N ATOM 446 CA TYR A 29 6.223 -4.283 -13.107 1.00 10.00 C ATOM 447 C TYR A 29 5.959 -5.397 -14.127 1.00 10.00 C ATOM 448 O TYR A 29 5.041 -6.202 -13.946 1.00 10.00 O ATOM 449 CB TYR A 29 7.455 -4.608 -12.240 1.00 10.00 C ATOM 450 CG TYR A 29 7.426 -5.943 -11.508 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.731 -6.073 -10.288 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.131 -7.047 -12.027 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.737 -7.295 -9.591 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.145 -8.271 -11.335 1.00 10.00 C ATOM 455 CZ TYR A 29 7.450 -8.401 -10.112 1.00 10.00 C ATOM 456 OH TYR A 29 7.487 -9.589 -9.444 1.00 10.00 O ATOM 0 H TYR A 29 4.486 -4.977 -12.206 1.00 10.00 H new ATOM 0 HA TYR A 29 6.429 -3.353 -13.637 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.339 -4.586 -12.878 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.574 -3.815 -11.502 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.190 -5.229 -9.886 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.664 -6.953 -12.962 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.198 -7.389 -8.660 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.688 -9.113 -11.739 1.00 10.00 H new ATOM 0 HH TYR A 29 8.023 -10.233 -9.952 1.00 10.00 H new ATOM 466 N TYR A 30 6.757 -5.459 -15.194 1.00 10.00 N ATOM 467 CA TYR A 30 6.700 -6.552 -16.156 1.00 10.00 C ATOM 468 C TYR A 30 7.739 -7.589 -15.736 1.00 10.00 C ATOM 469 O TYR A 30 8.918 -7.263 -15.583 1.00 10.00 O ATOM 470 CB TYR A 30 6.946 -6.030 -17.574 1.00 10.00 C ATOM 471 CG TYR A 30 6.669 -7.061 -18.653 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.339 -7.381 -18.984 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.729 -7.689 -19.335 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.061 -8.297 -20.011 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.461 -8.605 -20.368 1.00 10.00 C ATOM 476 CZ TYR A 30 6.123 -8.904 -20.720 1.00 10.00 C ATOM 477 OH TYR A 30 5.843 -9.761 -21.742 1.00 10.00 O ATOM 0 H TYR A 30 7.459 -4.752 -15.412 1.00 10.00 H new ATOM 0 HA TYR A 30 5.713 -7.014 -16.166 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.316 -5.157 -17.746 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.981 -5.698 -17.656 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.526 -6.918 -18.444 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.751 -7.467 -19.064 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.038 -8.538 -20.259 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.276 -9.080 -20.893 1.00 10.00 H new ATOM 0 HH TYR A 30 6.680 -10.093 -22.129 1.00 10.00 H new ATOM 487 N ASP A 31 7.303 -8.827 -15.516 1.00 10.00 N ATOM 488 CA ASP A 31 8.158 -9.928 -15.097 1.00 10.00 C ATOM 489 C ASP A 31 8.617 -10.681 -16.340 1.00 10.00 C ATOM 490 O ASP A 31 8.012 -11.677 -16.747 1.00 10.00 O ATOM 491 CB ASP A 31 7.439 -10.850 -14.103 1.00 10.00 C ATOM 492 CG ASP A 31 8.352 -11.996 -13.629 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.595 -11.868 -13.703 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.823 -13.011 -13.123 1.00 10.00 O ATOM 0 H ASP A 31 6.325 -9.095 -15.627 1.00 10.00 H new ATOM 0 HA ASP A 31 9.029 -9.537 -14.571 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.107 -10.269 -13.242 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.547 -11.265 -14.571 1.00 10.00 H new ATOM 499 N SER A 32 9.656 -10.163 -16.993 1.00 10.00 N ATOM 500 CA SER A 32 10.183 -10.670 -18.256 1.00 10.00 C ATOM 501 C SER A 32 10.537 -12.166 -18.215 1.00 10.00 C ATOM 502 O SER A 32 10.486 -12.833 -19.249 1.00 10.00 O ATOM 503 CB SER A 32 11.408 -9.832 -18.646 1.00 10.00 C ATOM 504 OG SER A 32 11.147 -8.444 -18.481 1.00 10.00 O ATOM 0 H SER A 32 10.170 -9.353 -16.645 1.00 10.00 H new ATOM 0 HA SER A 32 9.398 -10.577 -19.006 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.261 -10.121 -18.033 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.677 -10.035 -19.683 1.00 10.00 H new ATOM 0 HG SER A 32 11.942 -7.929 -18.734 1.00 10.00 H new ATOM 510 N SER A 33 10.845 -12.715 -17.034 1.00 10.00 N ATOM 511 CA SER A 33 11.116 -14.136 -16.829 1.00 10.00 C ATOM 512 C SER A 33 9.895 -15.026 -17.124 1.00 10.00 C ATOM 513 O SER A 33 10.058 -16.223 -17.371 1.00 10.00 O ATOM 514 CB SER A 33 11.585 -14.344 -15.382 1.00 10.00 C ATOM 515 OG SER A 33 12.614 -13.423 -15.043 1.00 10.00 O ATOM 0 H SER A 33 10.913 -12.167 -16.176 1.00 10.00 H new ATOM 0 HA SER A 33 11.892 -14.435 -17.533 1.00 10.00 H new ATOM 0 HB2 SER A 33 10.743 -14.220 -14.701 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.949 -15.364 -15.257 1.00 10.00 H new ATOM 0 HG SER A 33 12.895 -13.573 -14.116 1.00 10.00 H new ATOM 521 N LYS A 34 8.680 -14.461 -17.116 1.00 10.00 N ATOM 522 CA LYS A 34 7.416 -15.174 -17.328 1.00 10.00 C ATOM 523 C LYS A 34 6.584 -14.526 -18.437 1.00 10.00 C ATOM 524 O LYS A 34 5.689 -15.180 -18.976 1.00 10.00 O ATOM 525 CB LYS A 34 6.623 -15.198 -16.010 1.00 10.00 C ATOM 526 CG LYS A 34 7.267 -16.047 -14.903 1.00 10.00 C ATOM 527 CD LYS A 34 7.061 -17.553 -15.109 1.00 10.00 C ATOM 528 CE LYS A 34 7.901 -18.342 -14.094 1.00 10.00 C ATOM 529 NZ LYS A 34 7.167 -19.476 -13.481 1.00 10.00 N ATOM 0 H LYS A 34 8.547 -13.462 -16.956 1.00 10.00 H new ATOM 0 HA LYS A 34 7.641 -16.193 -17.643 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.509 -14.176 -15.649 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.621 -15.579 -16.209 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.335 -15.834 -14.864 1.00 10.00 H new ATOM 0 HG3 LYS A 34 6.848 -15.757 -13.939 1.00 10.00 H new ATOM 0 HD2 LYS A 34 6.006 -17.803 -14.993 1.00 10.00 H new ATOM 0 HD3 LYS A 34 7.345 -17.832 -16.124 1.00 10.00 H new ATOM 0 HE2 LYS A 34 8.795 -18.722 -14.589 1.00 10.00 H new ATOM 0 HE3 LYS A 34 8.236 -17.667 -13.307 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 7.788 -19.967 -12.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 6.328 -19.117 -12.982 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 6.870 -20.140 -14.225 1.00 10.00 H new ATOM 543 N GLY A 35 6.889 -13.284 -18.820 1.00 10.00 N ATOM 544 CA GLY A 35 6.244 -12.609 -19.934 1.00 10.00 C ATOM 545 C GLY A 35 4.831 -12.156 -19.572 1.00 10.00 C ATOM 546 O GLY A 35 3.918 -12.292 -20.389 1.00 10.00 O ATOM 0 H GLY A 35 7.599 -12.718 -18.356 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.839 -11.745 -20.231 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.204 -13.279 -20.793 1.00 10.00 H new ATOM 550 N TYR A 36 4.633 -11.650 -18.350 1.00 10.00 N ATOM 551 CA TYR A 36 3.384 -11.027 -17.927 1.00 10.00 C ATOM 552 C TYR A 36 3.673 -9.854 -16.990 1.00 10.00 C ATOM 553 O TYR A 36 4.800 -9.706 -16.510 1.00 10.00 O ATOM 554 CB TYR A 36 2.408 -12.065 -17.327 1.00 10.00 C ATOM 555 CG TYR A 36 2.854 -13.030 -16.229 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.865 -12.718 -15.296 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.171 -14.257 -16.105 1.00 10.00 C ATOM 558 CE1 TYR A 36 4.196 -13.619 -14.269 1.00 10.00 C ATOM 559 CE2 TYR A 36 2.497 -15.167 -15.082 1.00 10.00 C ATOM 560 CZ TYR A 36 3.520 -14.852 -14.159 1.00 10.00 C ATOM 561 OH TYR A 36 3.865 -15.725 -13.171 1.00 10.00 O ATOM 0 H TYR A 36 5.347 -11.664 -17.622 1.00 10.00 H new ATOM 0 HA TYR A 36 2.875 -10.620 -18.801 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.555 -11.511 -16.936 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.041 -12.672 -18.155 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.390 -11.777 -15.371 1.00 10.00 H new ATOM 0 HD2 TYR A 36 1.386 -14.502 -16.805 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.971 -13.366 -13.561 1.00 10.00 H new ATOM 0 HE2 TYR A 36 1.966 -16.104 -15.002 1.00 10.00 H new ATOM 0 HH TYR A 36 3.304 -16.526 -13.232 1.00 10.00 H new ATOM 571 N TRP A 37 2.674 -9.013 -16.724 1.00 10.00 N ATOM 572 CA TRP A 37 2.773 -8.034 -15.654 1.00 10.00 C ATOM 573 C TRP A 37 2.480 -8.728 -14.329 1.00 10.00 C ATOM 574 O TRP A 37 1.715 -9.694 -14.272 1.00 10.00 O ATOM 575 CB TRP A 37 1.804 -6.874 -15.888 1.00 10.00 C ATOM 576 CG TRP A 37 2.197 -5.946 -16.996 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.947 -6.128 -18.312 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.919 -4.681 -16.905 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.456 -5.070 -19.036 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.076 -4.148 -18.219 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.455 -3.927 -15.839 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.738 -2.934 -18.460 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.130 -2.713 -16.070 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.271 -2.216 -17.377 1.00 10.00 C ATOM 0 H TRP A 37 1.792 -8.994 -17.236 1.00 10.00 H new ATOM 0 HA TRP A 37 3.780 -7.617 -15.632 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.817 -7.281 -16.106 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.716 -6.300 -14.966 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.426 -6.975 -18.734 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.383 -4.981 -20.049 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.345 -4.288 -14.827 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.836 -2.556 -19.467 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.542 -2.161 -15.238 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.788 -1.284 -17.548 1.00 10.00 H new ATOM 595 N VAL A 38 3.059 -8.189 -13.263 1.00 10.00 N ATOM 596 CA VAL A 38 2.880 -8.606 -11.885 1.00 10.00 C ATOM 597 C VAL A 38 2.756 -7.312 -11.079 1.00 10.00 C ATOM 598 O VAL A 38 3.313 -6.281 -11.471 1.00 10.00 O ATOM 599 CB VAL A 38 4.086 -9.468 -11.440 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.982 -9.902 -9.968 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.236 -10.725 -12.313 1.00 10.00 C ATOM 0 H VAL A 38 3.703 -7.403 -13.347 1.00 10.00 H new ATOM 0 HA VAL A 38 1.996 -9.227 -11.739 1.00 10.00 H new ATOM 0 HB VAL A 38 4.964 -8.832 -11.559 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.851 -10.504 -9.704 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.945 -9.019 -9.330 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.076 -10.491 -9.825 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.093 -11.305 -11.971 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.333 -11.331 -12.236 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.388 -10.431 -13.351 1.00 10.00 H new ATOM 611 N GLY A 39 2.041 -7.329 -9.956 1.00 10.00 N ATOM 612 CA GLY A 39 1.940 -6.148 -9.120 1.00 10.00 C ATOM 613 C GLY A 39 1.448 -6.448 -7.717 1.00 10.00 C ATOM 614 O GLY A 39 0.982 -7.549 -7.408 1.00 10.00 O ATOM 0 H GLY A 39 1.530 -8.142 -9.611 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.917 -5.669 -9.060 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.263 -5.435 -9.590 1.00 10.00 H new ATOM 618 N ILE A 40 1.550 -5.411 -6.894 1.00 10.00 N ATOM 619 CA ILE A 40 1.048 -5.327 -5.540 1.00 10.00 C ATOM 620 C ILE A 40 0.026 -4.205 -5.660 1.00 10.00 C ATOM 621 O ILE A 40 0.363 -3.110 -6.110 1.00 10.00 O ATOM 622 CB ILE A 40 2.177 -4.966 -4.544 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.398 -5.907 -4.642 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.601 -4.956 -3.113 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.581 -5.497 -3.756 1.00 10.00 C ATOM 0 H ILE A 40 2.019 -4.552 -7.181 1.00 10.00 H new ATOM 0 HA ILE A 40 0.633 -6.261 -5.160 1.00 10.00 H new ATOM 0 HB ILE A 40 2.547 -3.975 -4.806 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.088 -6.916 -4.370 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.731 -5.945 -5.679 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.390 -4.703 -2.405 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.803 -4.216 -3.047 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.202 -5.942 -2.874 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.396 -6.210 -3.884 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.921 -4.502 -4.041 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.268 -5.488 -2.712 1.00 10.00 H new ATOM 637 N TYR A 41 -1.227 -4.470 -5.326 1.00 10.00 N ATOM 638 CA TYR A 41 -2.322 -3.600 -5.715 1.00 10.00 C ATOM 639 C TYR A 41 -3.327 -3.573 -4.582 1.00 10.00 C ATOM 640 O TYR A 41 -3.443 -4.542 -3.841 1.00 10.00 O ATOM 641 CB TYR A 41 -2.957 -4.152 -7.007 1.00 10.00 C ATOM 642 CG TYR A 41 -2.905 -3.214 -8.198 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.665 -2.031 -8.185 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.152 -3.548 -9.340 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.717 -1.209 -9.324 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.206 -2.735 -10.487 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.000 -1.568 -10.486 1.00 10.00 C ATOM 648 OH TYR A 41 -3.035 -0.758 -11.579 1.00 10.00 O ATOM 0 H TYR A 41 -1.510 -5.286 -4.783 1.00 10.00 H new ATOM 0 HA TYR A 41 -1.975 -2.585 -5.907 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.453 -5.081 -7.273 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.999 -4.401 -6.805 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.211 -1.753 -7.296 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.531 -4.431 -9.335 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.305 -0.303 -9.310 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.641 -3.004 -11.367 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.410 -0.014 -11.455 1.00 10.00 H new ATOM 658 N GLU A 42 -4.118 -2.511 -4.491 1.00 10.00 N ATOM 659 CA GLU A 42 -5.286 -2.464 -3.631 1.00 10.00 C ATOM 660 C GLU A 42 -6.480 -2.042 -4.487 1.00 10.00 C ATOM 661 O GLU A 42 -7.318 -1.287 -4.022 1.00 10.00 O ATOM 662 CB GLU A 42 -5.000 -1.569 -2.408 1.00 10.00 C ATOM 663 CG GLU A 42 -6.026 -1.769 -1.272 1.00 10.00 C ATOM 664 CD GLU A 42 -5.557 -1.196 0.073 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.101 -0.030 0.145 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.691 -1.915 1.097 1.00 10.00 O ATOM 0 H GLU A 42 -3.962 -1.652 -5.018 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.533 -3.437 -3.206 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -4.000 -1.784 -2.031 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -5.006 -0.524 -2.718 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.967 -1.296 -1.553 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -6.227 -2.834 -1.156 1.00 10.00 H new ATOM 673 N VAL A 43 -6.558 -2.489 -5.751 1.00 10.00 N ATOM 674 CA VAL A 43 -7.772 -2.376 -6.564 1.00 10.00 C ATOM 675 C VAL A 43 -7.827 -3.459 -7.644 1.00 10.00 C ATOM 676 O VAL A 43 -8.884 -4.070 -7.816 1.00 10.00 O ATOM 677 CB VAL A 43 -7.954 -0.952 -7.154 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.780 -0.419 -7.979 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.227 -0.839 -7.997 1.00 10.00 C ATOM 0 H VAL A 43 -5.780 -2.938 -6.234 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.619 -2.542 -5.898 1.00 10.00 H new ATOM 0 HB VAL A 43 -8.020 -0.329 -6.262 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -7.015 0.582 -8.342 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.886 -0.379 -7.356 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.602 -1.080 -8.827 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.314 0.174 -8.390 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.179 -1.547 -8.825 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.095 -1.064 -7.377 1.00 10.00 H new ATOM 689 N TRP A 44 -6.727 -3.705 -8.370 1.00 10.00 N ATOM 690 CA TRP A 44 -6.750 -4.640 -9.489 1.00 10.00 C ATOM 691 C TRP A 44 -7.079 -6.043 -8.970 1.00 10.00 C ATOM 692 O TRP A 44 -6.625 -6.444 -7.896 1.00 10.00 O ATOM 693 CB TRP A 44 -5.425 -4.596 -10.268 1.00 10.00 C ATOM 694 CG TRP A 44 -5.391 -5.317 -11.587 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.427 -5.452 -12.448 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.253 -5.956 -12.254 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.033 -6.180 -13.547 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.698 -6.506 -13.494 1.00 10.00 C ATOM 699 CE3 TRP A 44 -2.887 -6.129 -11.940 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -3.840 -7.197 -14.363 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.013 -6.816 -12.806 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.487 -7.351 -14.017 1.00 10.00 C ATOM 0 H TRP A 44 -5.820 -3.270 -8.199 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.529 -4.350 -10.194 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.169 -3.551 -10.445 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.643 -5.012 -9.633 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.417 -5.048 -12.295 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.656 -6.446 -14.309 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.503 -5.725 -11.015 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.216 -7.607 -15.289 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -0.973 -6.932 -12.538 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.814 -7.878 -14.678 1.00 10.00 H new