USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot -89:sc= -0.768 USER MOD Set 1.2: A 39 HIS :FLIP no HD1:sc= -3.03 F(o=-6.8!,f=-5.9) USER MOD Set 1.3: A 62 CYS SG : rot 155:sc= 0.77 USER MOD Set 1.4: A 65 CYS SG : rot -22:sc= -2.84 USER MOD Set 2.1: A 22 CYS SG : rot 70:sc= 1.3 USER MOD Set 2.2: A 25 CYS SG : rot -56:sc= -0.11 USER MOD Set 2.3: A 30 LYS NZ :NH3+ 149:sc= -0.801 (180deg=-1.79!) USER MOD Set 2.4: A 42 CYS SG : rot 75:sc= 1.23 USER MOD Set 2.5: A 45 CYS SG : rot 131:sc= -0.833 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -5:sc= 1.05 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -168:sc=-0.00903 (180deg=-0.218) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 23:sc= 0.158 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.0054) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 86:sc= 1.08 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 31.097 -46.296 -23.299 1.00 0.00 N ATOM 31 CA GLY A 4 30.395 -45.103 -23.732 1.00 0.00 C ATOM 32 C GLY A 4 28.914 -45.155 -23.417 1.00 0.00 C ATOM 33 O GLY A 4 28.359 -46.229 -23.185 1.00 0.00 O ATOM 0 HA2 GLY A 4 30.835 -44.231 -23.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.531 -44.975 -24.806 1.00 0.00 H new ATOM 37 N SER A 5 28.271 -43.991 -23.407 1.00 0.00 N ATOM 38 CA SER A 5 26.846 -43.908 -23.111 1.00 0.00 C ATOM 39 C SER A 5 26.229 -42.668 -23.753 1.00 0.00 C ATOM 40 O SER A 5 26.832 -41.595 -23.761 1.00 0.00 O ATOM 41 CB SER A 5 26.617 -43.880 -21.599 1.00 0.00 C ATOM 42 OG SER A 5 25.267 -43.577 -21.293 1.00 0.00 O ATOM 0 H SER A 5 28.715 -43.093 -23.600 1.00 0.00 H new ATOM 0 HA SER A 5 26.362 -44.791 -23.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.882 -44.846 -21.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.272 -43.138 -21.143 1.00 0.00 H new ATOM 0 HG SER A 5 25.146 -43.567 -20.321 1.00 0.00 H new ATOM 48 N SER A 6 25.024 -42.825 -24.291 1.00 0.00 N ATOM 49 CA SER A 6 24.327 -41.721 -24.939 1.00 0.00 C ATOM 50 C SER A 6 22.838 -42.025 -25.078 1.00 0.00 C ATOM 51 O SER A 6 22.412 -43.171 -24.939 1.00 0.00 O ATOM 52 CB SER A 6 24.933 -41.445 -26.317 1.00 0.00 C ATOM 53 OG SER A 6 26.234 -40.896 -26.200 1.00 0.00 O ATOM 0 H SER A 6 24.510 -43.706 -24.291 1.00 0.00 H new ATOM 0 HA SER A 6 24.443 -40.835 -24.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.975 -42.370 -26.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.292 -40.757 -26.868 1.00 0.00 H new ATOM 0 HG SER A 6 26.439 -40.738 -25.255 1.00 0.00 H new ATOM 59 N GLY A 7 22.052 -40.989 -25.354 1.00 0.00 N ATOM 60 CA GLY A 7 20.619 -41.165 -25.508 1.00 0.00 C ATOM 61 C GLY A 7 19.852 -40.793 -24.254 1.00 0.00 C ATOM 62 O GLY A 7 19.228 -41.646 -23.625 1.00 0.00 O ATOM 0 H GLY A 7 22.381 -40.031 -25.474 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.268 -40.554 -26.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.409 -42.203 -25.764 1.00 0.00 H new ATOM 66 N MET A 8 19.900 -39.515 -23.891 1.00 0.00 N ATOM 67 CA MET A 8 19.203 -39.032 -22.704 1.00 0.00 C ATOM 68 C MET A 8 18.659 -37.625 -22.928 1.00 0.00 C ATOM 69 O MET A 8 19.402 -36.712 -23.285 1.00 0.00 O ATOM 70 CB MET A 8 20.143 -39.042 -21.497 1.00 0.00 C ATOM 71 CG MET A 8 21.454 -38.312 -21.741 1.00 0.00 C ATOM 72 SD MET A 8 22.338 -37.941 -20.214 1.00 0.00 S ATOM 73 CE MET A 8 23.980 -37.608 -20.845 1.00 0.00 C ATOM 0 H MET A 8 20.413 -38.796 -24.401 1.00 0.00 H new ATOM 0 HA MET A 8 18.364 -39.699 -22.508 1.00 0.00 H new ATOM 0 HB2 MET A 8 19.635 -38.585 -20.648 1.00 0.00 H new ATOM 0 HB3 MET A 8 20.357 -40.075 -21.222 1.00 0.00 H new ATOM 0 HG2 MET A 8 22.089 -38.920 -22.385 1.00 0.00 H new ATOM 0 HG3 MET A 8 21.254 -37.383 -22.275 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.645 -37.362 -20.017 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.357 -38.490 -21.363 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.940 -36.769 -21.540 1.00 0.00 H new ATOM 83 N ALA A 9 17.357 -37.459 -22.717 1.00 0.00 N ATOM 84 CA ALA A 9 16.714 -36.163 -22.895 1.00 0.00 C ATOM 85 C ALA A 9 15.266 -36.199 -22.419 1.00 0.00 C ATOM 86 O ALA A 9 14.584 -37.216 -22.550 1.00 0.00 O ATOM 87 CB ALA A 9 16.781 -35.736 -24.353 1.00 0.00 C ATOM 0 H ALA A 9 16.727 -38.206 -22.423 1.00 0.00 H new ATOM 0 HA ALA A 9 17.251 -35.433 -22.289 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.297 -34.767 -24.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.823 -35.661 -24.663 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.271 -36.474 -24.972 1.00 0.00 H new ATOM 93 N SER A 10 14.801 -35.084 -21.865 1.00 0.00 N ATOM 94 CA SER A 10 13.435 -34.990 -21.365 1.00 0.00 C ATOM 95 C SER A 10 12.765 -33.708 -21.852 1.00 0.00 C ATOM 96 O SER A 10 13.359 -32.631 -21.813 1.00 0.00 O ATOM 97 CB SER A 10 13.424 -35.034 -19.836 1.00 0.00 C ATOM 98 OG SER A 10 12.100 -34.996 -19.333 1.00 0.00 O ATOM 0 H SER A 10 15.351 -34.233 -21.751 1.00 0.00 H new ATOM 0 HA SER A 10 12.875 -35.842 -21.750 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.921 -35.941 -19.492 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.991 -34.191 -19.441 1.00 0.00 H new ATOM 0 HG SER A 10 12.121 -35.027 -18.354 1.00 0.00 H new ATOM 104 N SER A 11 11.524 -33.834 -22.311 1.00 0.00 N ATOM 105 CA SER A 11 10.773 -32.688 -22.810 1.00 0.00 C ATOM 106 C SER A 11 9.516 -32.458 -21.978 1.00 0.00 C ATOM 107 O SER A 11 8.537 -33.196 -22.094 1.00 0.00 O ATOM 108 CB SER A 11 10.396 -32.898 -24.278 1.00 0.00 C ATOM 109 OG SER A 11 10.045 -31.672 -24.895 1.00 0.00 O ATOM 0 H SER A 11 11.017 -34.718 -22.348 1.00 0.00 H new ATOM 0 HA SER A 11 11.408 -31.806 -22.728 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.233 -33.350 -24.810 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.561 -33.595 -24.346 1.00 0.00 H new ATOM 0 HG SER A 11 9.810 -31.833 -25.833 1.00 0.00 H new ATOM 115 N VAL A 12 9.550 -31.429 -21.137 1.00 0.00 N ATOM 116 CA VAL A 12 8.413 -31.100 -20.285 1.00 0.00 C ATOM 117 C VAL A 12 8.436 -29.630 -19.882 1.00 0.00 C ATOM 118 O VAL A 12 9.500 -29.055 -19.648 1.00 0.00 O ATOM 119 CB VAL A 12 8.394 -31.969 -19.014 1.00 0.00 C ATOM 120 CG1 VAL A 12 9.630 -31.704 -18.167 1.00 0.00 C ATOM 121 CG2 VAL A 12 7.125 -31.716 -18.214 1.00 0.00 C ATOM 0 H VAL A 12 10.352 -30.809 -21.027 1.00 0.00 H new ATOM 0 HA VAL A 12 7.513 -31.301 -20.867 1.00 0.00 H new ATOM 0 HB VAL A 12 8.405 -33.017 -19.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.599 -32.327 -17.273 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.524 -31.941 -18.744 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.654 -30.654 -17.876 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.129 -32.339 -17.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.080 -30.666 -17.925 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.255 -31.962 -18.824 1.00 0.00 H new ATOM 131 N LEU A 13 7.255 -29.026 -19.802 1.00 0.00 N ATOM 132 CA LEU A 13 7.139 -27.621 -19.426 1.00 0.00 C ATOM 133 C LEU A 13 5.714 -27.290 -18.994 1.00 0.00 C ATOM 134 O LEU A 13 4.755 -27.901 -19.464 1.00 0.00 O ATOM 135 CB LEU A 13 7.551 -26.724 -20.595 1.00 0.00 C ATOM 136 CG LEU A 13 6.629 -26.746 -21.815 1.00 0.00 C ATOM 137 CD1 LEU A 13 5.491 -25.752 -21.642 1.00 0.00 C ATOM 138 CD2 LEU A 13 7.415 -26.443 -23.083 1.00 0.00 C ATOM 0 H LEU A 13 6.365 -29.487 -19.992 1.00 0.00 H new ATOM 0 HA LEU A 13 7.807 -27.439 -18.584 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.618 -25.698 -20.234 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.551 -27.015 -20.915 1.00 0.00 H new ATOM 0 HG LEU A 13 6.202 -27.745 -21.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.845 -25.782 -22.520 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.912 -26.013 -20.756 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.899 -24.748 -21.526 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.743 -26.463 -23.941 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.871 -25.456 -23.002 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.195 -27.193 -23.216 1.00 0.00 H new ATOM 150 N GLU A 14 5.585 -26.317 -18.097 1.00 0.00 N ATOM 151 CA GLU A 14 4.276 -25.903 -17.603 1.00 0.00 C ATOM 152 C GLU A 14 3.855 -24.575 -18.224 1.00 0.00 C ATOM 153 O GLU A 14 4.504 -23.549 -18.021 1.00 0.00 O ATOM 154 CB GLU A 14 4.298 -25.782 -16.078 1.00 0.00 C ATOM 155 CG GLU A 14 2.941 -25.460 -15.474 1.00 0.00 C ATOM 156 CD GLU A 14 2.117 -26.702 -15.195 1.00 0.00 C ATOM 157 OE1 GLU A 14 2.716 -27.778 -14.989 1.00 0.00 O ATOM 158 OE2 GLU A 14 0.873 -26.597 -15.181 1.00 0.00 O ATOM 0 H GLU A 14 6.369 -25.801 -17.698 1.00 0.00 H new ATOM 0 HA GLU A 14 3.550 -26.664 -17.890 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.663 -26.717 -15.653 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.007 -25.004 -15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.083 -24.907 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.391 -24.808 -16.153 1.00 0.00 H new ATOM 165 N MET A 15 2.764 -24.602 -18.982 1.00 0.00 N ATOM 166 CA MET A 15 2.255 -23.401 -19.633 1.00 0.00 C ATOM 167 C MET A 15 2.340 -22.199 -18.697 1.00 0.00 C ATOM 168 O MET A 15 1.829 -22.235 -17.578 1.00 0.00 O ATOM 169 CB MET A 15 0.807 -23.611 -20.081 1.00 0.00 C ATOM 170 CG MET A 15 0.657 -24.644 -21.186 1.00 0.00 C ATOM 171 SD MET A 15 1.617 -24.232 -22.656 1.00 0.00 S ATOM 172 CE MET A 15 0.743 -22.780 -23.235 1.00 0.00 C ATOM 0 H MET A 15 2.215 -25.443 -19.161 1.00 0.00 H new ATOM 0 HA MET A 15 2.873 -23.203 -20.509 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.211 -23.920 -19.222 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.400 -22.660 -20.426 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.972 -25.618 -20.812 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.395 -24.731 -21.456 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.077 -22.532 -24.243 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.328 -22.981 -23.247 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.948 -21.942 -22.568 1.00 0.00 H new ATOM 182 N ILE A 16 2.989 -21.137 -19.163 1.00 0.00 N ATOM 183 CA ILE A 16 3.140 -19.925 -18.368 1.00 0.00 C ATOM 184 C ILE A 16 2.287 -18.791 -18.927 1.00 0.00 C ATOM 185 O ILE A 16 2.379 -18.453 -20.107 1.00 0.00 O ATOM 186 CB ILE A 16 4.609 -19.467 -18.312 1.00 0.00 C ATOM 187 CG1 ILE A 16 5.473 -20.536 -17.640 1.00 0.00 C ATOM 188 CG2 ILE A 16 4.724 -18.143 -17.571 1.00 0.00 C ATOM 189 CD1 ILE A 16 6.951 -20.214 -17.652 1.00 0.00 C ATOM 0 H ILE A 16 3.419 -21.092 -20.087 1.00 0.00 H new ATOM 0 HA ILE A 16 2.805 -20.166 -17.359 1.00 0.00 H new ATOM 0 HB ILE A 16 4.968 -19.323 -19.331 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.145 -20.661 -16.608 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.313 -21.490 -18.143 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.769 -17.833 -17.540 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.135 -17.385 -18.087 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.350 -18.262 -16.554 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.502 -21.015 -17.159 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.294 -20.118 -18.682 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.123 -19.276 -17.123 1.00 0.00 H new ATOM 201 N LYS A 17 1.457 -18.204 -18.071 1.00 0.00 N ATOM 202 CA LYS A 17 0.589 -17.105 -18.477 1.00 0.00 C ATOM 203 C LYS A 17 1.399 -15.839 -18.735 1.00 0.00 C ATOM 204 O LYS A 17 2.121 -15.364 -17.858 1.00 0.00 O ATOM 205 CB LYS A 17 -0.466 -16.838 -17.401 1.00 0.00 C ATOM 206 CG LYS A 17 -1.689 -16.101 -17.919 1.00 0.00 C ATOM 207 CD LYS A 17 -2.653 -17.043 -18.621 1.00 0.00 C ATOM 208 CE LYS A 17 -3.680 -17.611 -17.654 1.00 0.00 C ATOM 209 NZ LYS A 17 -4.840 -18.213 -18.368 1.00 0.00 N ATOM 0 H LYS A 17 1.367 -18.471 -17.091 1.00 0.00 H new ATOM 0 HA LYS A 17 0.091 -17.391 -19.403 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.780 -17.788 -16.969 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.014 -16.256 -16.598 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.198 -15.611 -17.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.377 -15.317 -18.609 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.163 -16.511 -19.424 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.096 -17.858 -19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.208 -18.367 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.032 -16.820 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.518 -18.589 -17.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.306 -17.486 -18.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.508 -18.985 -18.981 1.00 0.00 H new ATOM 269 N THR A 21 0.793 -11.372 -15.835 1.00 0.00 N ATOM 270 CA THR A 21 2.068 -10.881 -15.327 1.00 0.00 C ATOM 271 C THR A 21 2.176 -9.369 -15.484 1.00 0.00 C ATOM 272 O THR A 21 1.548 -8.778 -16.363 1.00 0.00 O ATOM 273 CB THR A 21 3.254 -11.547 -16.050 1.00 0.00 C ATOM 274 OG1 THR A 21 3.109 -12.972 -16.018 1.00 0.00 O ATOM 275 CG2 THR A 21 4.573 -11.152 -15.403 1.00 0.00 C ATOM 0 HA THR A 21 2.107 -11.137 -14.268 1.00 0.00 H new ATOM 0 HB THR A 21 3.259 -11.205 -17.085 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.166 -13.202 -15.881 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.396 -11.634 -15.931 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.694 -10.070 -15.454 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.576 -11.468 -14.360 1.00 0.00 H new ATOM 283 N CYS A 22 2.978 -8.746 -14.626 1.00 0.00 N ATOM 284 CA CYS A 22 3.171 -7.302 -14.669 1.00 0.00 C ATOM 285 C CYS A 22 3.571 -6.847 -16.070 1.00 0.00 C ATOM 286 O CYS A 22 4.597 -7.258 -16.613 1.00 0.00 O ATOM 287 CB CYS A 22 4.239 -6.878 -13.659 1.00 0.00 C ATOM 288 SG CYS A 22 4.247 -5.094 -13.290 1.00 0.00 S ATOM 0 H CYS A 22 3.505 -9.220 -13.892 1.00 0.00 H new ATOM 0 HA CYS A 22 2.225 -6.827 -14.408 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.086 -7.429 -12.731 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.219 -7.163 -14.041 1.00 0.00 H new ATOM 0 HG CYS A 22 3.184 -4.787 -12.608 1.00 0.00 H new ATOM 293 N PRO A 23 2.743 -5.979 -16.669 1.00 0.00 N ATOM 294 CA PRO A 23 2.990 -5.449 -18.014 1.00 0.00 C ATOM 295 C PRO A 23 4.178 -4.493 -18.051 1.00 0.00 C ATOM 296 O PRO A 23 4.461 -3.880 -19.081 1.00 0.00 O ATOM 297 CB PRO A 23 1.694 -4.705 -18.345 1.00 0.00 C ATOM 298 CG PRO A 23 1.119 -4.338 -17.021 1.00 0.00 C ATOM 299 CD PRO A 23 1.502 -5.447 -16.081 1.00 0.00 C ATOM 0 HA PRO A 23 3.238 -6.238 -18.724 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.889 -3.820 -18.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.010 -5.335 -18.913 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.512 -3.381 -16.677 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.036 -4.234 -17.081 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.663 -5.078 -15.068 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.726 -6.210 -16.022 1.00 0.00 H new ATOM 307 N ILE A 24 4.869 -4.372 -16.923 1.00 0.00 N ATOM 308 CA ILE A 24 6.027 -3.491 -16.828 1.00 0.00 C ATOM 309 C ILE A 24 7.320 -4.293 -16.725 1.00 0.00 C ATOM 310 O ILE A 24 8.153 -4.267 -17.631 1.00 0.00 O ATOM 311 CB ILE A 24 5.921 -2.551 -15.613 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.676 -1.669 -15.730 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.173 -1.695 -15.495 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.105 -1.249 -14.394 1.00 0.00 C ATOM 0 H ILE A 24 4.648 -4.872 -16.062 1.00 0.00 H new ATOM 0 HA ILE A 24 6.044 -2.893 -17.739 1.00 0.00 H new ATOM 0 HB ILE A 24 5.831 -3.156 -14.711 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.925 -0.778 -16.306 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.911 -2.207 -16.290 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.083 -1.036 -14.632 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.044 -2.339 -15.371 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.291 -1.096 -16.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.225 -0.626 -14.554 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.824 -2.134 -13.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.854 -0.683 -13.840 1.00 0.00 H new ATOM 326 N CYS A 25 7.480 -5.007 -15.615 1.00 0.00 N ATOM 327 CA CYS A 25 8.670 -5.818 -15.393 1.00 0.00 C ATOM 328 C CYS A 25 8.495 -7.215 -15.982 1.00 0.00 C ATOM 329 O CYS A 25 9.472 -7.919 -16.242 1.00 0.00 O ATOM 330 CB CYS A 25 8.972 -5.919 -13.896 1.00 0.00 C ATOM 331 SG CYS A 25 7.571 -6.510 -12.893 1.00 0.00 S ATOM 0 H CYS A 25 6.800 -5.040 -14.856 1.00 0.00 H new ATOM 0 HA CYS A 25 9.508 -5.333 -15.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.818 -6.591 -13.751 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.278 -4.939 -13.531 1.00 0.00 H new ATOM 0 HG CYS A 25 6.541 -5.743 -13.092 1.00 0.00 H new ATOM 336 N LEU A 26 7.244 -7.609 -16.192 1.00 0.00 N ATOM 337 CA LEU A 26 6.939 -8.922 -16.751 1.00 0.00 C ATOM 338 C LEU A 26 7.421 -10.034 -15.825 1.00 0.00 C ATOM 339 O LEU A 26 7.971 -11.037 -16.279 1.00 0.00 O ATOM 340 CB LEU A 26 7.586 -9.073 -18.129 1.00 0.00 C ATOM 341 CG LEU A 26 7.070 -8.134 -19.220 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.959 -8.209 -20.452 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.630 -8.471 -19.577 1.00 0.00 C ATOM 0 H LEU A 26 6.424 -7.039 -15.984 1.00 0.00 H new ATOM 0 HA LEU A 26 5.857 -9.004 -16.853 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.660 -8.919 -18.023 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.443 -10.100 -18.465 1.00 0.00 H new ATOM 0 HG LEU A 26 7.098 -7.113 -18.838 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.577 -7.534 -21.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.975 -7.917 -20.186 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.963 -9.229 -20.836 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.280 -7.793 -20.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.576 -9.498 -19.939 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.002 -8.365 -18.693 1.00 0.00 H new ATOM 355 N GLU A 27 7.208 -9.849 -14.526 1.00 0.00 N ATOM 356 CA GLU A 27 7.620 -10.838 -13.537 1.00 0.00 C ATOM 357 C GLU A 27 6.545 -11.021 -12.470 1.00 0.00 C ATOM 358 O GLU A 27 5.629 -10.206 -12.349 1.00 0.00 O ATOM 359 CB GLU A 27 8.938 -10.418 -12.882 1.00 0.00 C ATOM 360 CG GLU A 27 10.087 -10.271 -13.865 1.00 0.00 C ATOM 361 CD GLU A 27 11.117 -9.255 -13.411 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.740 -9.476 -12.352 1.00 0.00 O ATOM 363 OE2 GLU A 27 11.299 -8.240 -14.115 1.00 0.00 O ATOM 0 H GLU A 27 6.753 -9.024 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 27 7.764 -11.789 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.791 -9.470 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.210 -11.155 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.571 -11.238 -13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.693 -9.974 -14.837 1.00 0.00 H new ATOM 370 N LEU A 28 6.662 -12.096 -11.699 1.00 0.00 N ATOM 371 CA LEU A 28 5.700 -12.388 -10.642 1.00 0.00 C ATOM 372 C LEU A 28 5.283 -11.112 -9.917 1.00 0.00 C ATOM 373 O LEU A 28 6.111 -10.433 -9.308 1.00 0.00 O ATOM 374 CB LEU A 28 6.295 -13.383 -9.644 1.00 0.00 C ATOM 375 CG LEU A 28 5.322 -14.403 -9.051 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.001 -15.220 -7.964 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.086 -13.704 -8.502 1.00 0.00 C ATOM 0 H LEU A 28 7.414 -12.780 -11.786 1.00 0.00 H new ATOM 0 HA LEU A 28 4.815 -12.829 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.101 -13.925 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.744 -12.821 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 28 5.009 -15.082 -9.844 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.293 -15.940 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.854 -15.750 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.344 -14.556 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.405 -14.445 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.381 -13.002 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.586 -13.164 -9.306 1.00 0.00 H new ATOM 389 N LEU A 29 3.996 -10.793 -9.986 1.00 0.00 N ATOM 390 CA LEU A 29 3.468 -9.599 -9.334 1.00 0.00 C ATOM 391 C LEU A 29 3.543 -9.729 -7.816 1.00 0.00 C ATOM 392 O LEU A 29 2.851 -10.553 -7.217 1.00 0.00 O ATOM 393 CB LEU A 29 2.020 -9.356 -9.766 1.00 0.00 C ATOM 394 CG LEU A 29 1.810 -8.991 -11.236 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.475 -9.523 -11.732 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.892 -7.484 -11.428 1.00 0.00 C ATOM 0 H LEU A 29 3.298 -11.344 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 29 4.079 -8.749 -9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.442 -10.254 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.608 -8.556 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 29 2.603 -9.455 -11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.343 -9.254 -12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.456 -10.608 -11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.332 -9.089 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.740 -7.242 -12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.121 -6.998 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.873 -7.130 -11.112 1.00 0.00 H new ATOM 408 N LYS A 30 4.386 -8.908 -7.199 1.00 0.00 N ATOM 409 CA LYS A 30 4.550 -8.928 -5.750 1.00 0.00 C ATOM 410 C LYS A 30 3.598 -7.941 -5.081 1.00 0.00 C ATOM 411 O LYS A 30 3.674 -6.736 -5.317 1.00 0.00 O ATOM 412 CB LYS A 30 5.995 -8.592 -5.375 1.00 0.00 C ATOM 413 CG LYS A 30 6.985 -9.691 -5.722 1.00 0.00 C ATOM 414 CD LYS A 30 8.403 -9.154 -5.822 1.00 0.00 C ATOM 415 CE LYS A 30 8.704 -8.632 -7.218 1.00 0.00 C ATOM 416 NZ LYS A 30 8.101 -7.290 -7.450 1.00 0.00 N ATOM 0 H LYS A 30 4.966 -8.220 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 30 4.313 -9.931 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.290 -7.675 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.047 -8.393 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.944 -10.472 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.702 -10.151 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.542 -8.354 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.111 -9.943 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.783 -8.575 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.322 -9.335 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.697 -6.751 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.150 -7.402 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.035 -6.778 -6.547 1.00 0.00 H new ATOM 430 N GLU A 31 2.705 -8.461 -4.246 1.00 0.00 N ATOM 431 CA GLU A 31 1.739 -7.624 -3.543 1.00 0.00 C ATOM 432 C GLU A 31 1.187 -6.540 -4.464 1.00 0.00 C ATOM 433 O GLU A 31 1.209 -5.351 -4.147 1.00 0.00 O ATOM 434 CB GLU A 31 2.386 -6.984 -2.313 1.00 0.00 C ATOM 435 CG GLU A 31 2.459 -7.911 -1.112 1.00 0.00 C ATOM 436 CD GLU A 31 3.078 -7.245 0.102 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.115 -6.568 -0.058 1.00 0.00 O ATOM 438 OE2 GLU A 31 2.526 -7.402 1.211 1.00 0.00 O ATOM 0 H GLU A 31 2.630 -9.457 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 31 0.913 -8.258 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.393 -6.658 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.822 -6.092 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.455 -8.254 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.042 -8.794 -1.374 1.00 0.00 H new ATOM 445 N PRO A 32 0.680 -6.959 -5.633 1.00 0.00 N ATOM 446 CA PRO A 32 0.113 -6.040 -6.624 1.00 0.00 C ATOM 447 C PRO A 32 -1.204 -5.428 -6.161 1.00 0.00 C ATOM 448 O PRO A 32 -1.934 -6.027 -5.370 1.00 0.00 O ATOM 449 CB PRO A 32 -0.113 -6.933 -7.847 1.00 0.00 C ATOM 450 CG PRO A 32 -0.265 -8.306 -7.290 1.00 0.00 C ATOM 451 CD PRO A 32 0.622 -8.362 -6.077 1.00 0.00 C ATOM 0 HA PRO A 32 0.769 -5.191 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.002 -6.629 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.727 -6.877 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.303 -8.506 -7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.027 -9.059 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.208 -9.011 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.612 -8.748 -6.320 1.00 0.00 H new ATOM 459 N VAL A 33 -1.504 -4.232 -6.658 1.00 0.00 N ATOM 460 CA VAL A 33 -2.734 -3.540 -6.295 1.00 0.00 C ATOM 461 C VAL A 33 -3.637 -3.352 -7.509 1.00 0.00 C ATOM 462 O VAL A 33 -3.243 -2.735 -8.499 1.00 0.00 O ATOM 463 CB VAL A 33 -2.441 -2.163 -5.669 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.590 -2.316 -4.418 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.758 -1.254 -6.680 1.00 0.00 C ATOM 0 H VAL A 33 -0.911 -3.722 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.242 -4.164 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.387 -1.704 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.393 -1.333 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.120 -2.930 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.646 -2.795 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.558 -0.285 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.818 -1.705 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.407 -1.119 -7.545 1.00 0.00 H new ATOM 475 N SER A 34 -4.851 -3.887 -7.426 1.00 0.00 N ATOM 476 CA SER A 34 -5.810 -3.781 -8.519 1.00 0.00 C ATOM 477 C SER A 34 -6.329 -2.352 -8.651 1.00 0.00 C ATOM 478 O SER A 34 -6.477 -1.640 -7.658 1.00 0.00 O ATOM 479 CB SER A 34 -6.979 -4.741 -8.295 1.00 0.00 C ATOM 480 OG SER A 34 -6.519 -6.066 -8.093 1.00 0.00 O ATOM 0 H SER A 34 -5.194 -4.398 -6.613 1.00 0.00 H new ATOM 0 HA SER A 34 -5.300 -4.050 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.558 -4.418 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.648 -4.712 -9.155 1.00 0.00 H new ATOM 0 HG SER A 34 -7.285 -6.660 -7.950 1.00 0.00 H new ATOM 486 N ALA A 35 -6.603 -1.940 -9.884 1.00 0.00 N ATOM 487 CA ALA A 35 -7.107 -0.597 -10.146 1.00 0.00 C ATOM 488 C ALA A 35 -8.500 -0.645 -10.764 1.00 0.00 C ATOM 489 O ALA A 35 -8.963 -1.702 -11.195 1.00 0.00 O ATOM 490 CB ALA A 35 -6.150 0.158 -11.056 1.00 0.00 C ATOM 0 H ALA A 35 -6.485 -2.516 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.178 -0.070 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.539 1.159 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.174 0.232 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.050 -0.375 -12.002 1.00 0.00 H new ATOM 496 N ASP A 36 -9.165 0.504 -10.804 1.00 0.00 N ATOM 497 CA ASP A 36 -10.506 0.594 -11.370 1.00 0.00 C ATOM 498 C ASP A 36 -10.571 -0.104 -12.725 1.00 0.00 C ATOM 499 O ASP A 36 -11.599 -0.674 -13.092 1.00 0.00 O ATOM 500 CB ASP A 36 -10.925 2.057 -11.515 1.00 0.00 C ATOM 501 CG ASP A 36 -12.350 2.205 -12.012 1.00 0.00 C ATOM 502 OD1 ASP A 36 -13.182 1.330 -11.695 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.632 3.196 -12.718 1.00 0.00 O ATOM 0 H ASP A 36 -8.797 1.387 -10.451 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.195 0.094 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.825 2.558 -10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.248 2.559 -12.206 1.00 0.00 H new ATOM 508 N CYS A 37 -9.468 -0.055 -13.464 1.00 0.00 N ATOM 509 CA CYS A 37 -9.400 -0.681 -14.779 1.00 0.00 C ATOM 510 C CYS A 37 -8.939 -2.132 -14.667 1.00 0.00 C ATOM 511 O CYS A 37 -8.185 -2.620 -15.507 1.00 0.00 O ATOM 512 CB CYS A 37 -8.448 0.099 -15.689 1.00 0.00 C ATOM 513 SG CYS A 37 -6.833 0.469 -14.933 1.00 0.00 S ATOM 0 H CYS A 37 -8.609 0.412 -13.174 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.400 -0.668 -15.213 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.287 -0.472 -16.603 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.925 1.036 -15.978 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.900 1.603 -14.300 1.00 0.00 H new ATOM 518 N ASN A 38 -9.400 -2.814 -13.624 1.00 0.00 N ATOM 519 CA ASN A 38 -9.036 -4.209 -13.403 1.00 0.00 C ATOM 520 C ASN A 38 -7.573 -4.453 -13.760 1.00 0.00 C ATOM 521 O ASN A 38 -7.207 -5.534 -14.223 1.00 0.00 O ATOM 522 CB ASN A 38 -9.935 -5.130 -14.230 1.00 0.00 C ATOM 523 CG ASN A 38 -11.173 -5.565 -13.469 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.299 -5.326 -13.906 1.00 0.00 O ATOM 525 ND2 ASN A 38 -10.969 -6.207 -12.325 1.00 0.00 N ATOM 0 H ASN A 38 -10.026 -2.424 -12.919 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.175 -4.431 -12.345 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.235 -4.616 -15.143 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.369 -6.011 -14.531 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.763 -6.524 -11.769 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.018 -6.383 -12.002 1.00 0.00 H new ATOM 532 N HIS A 39 -6.739 -3.440 -13.542 1.00 0.00 N ATOM 533 CA HIS A 39 -5.315 -3.544 -13.840 1.00 0.00 C ATOM 534 C HIS A 39 -4.486 -3.474 -12.561 1.00 0.00 C ATOM 535 O HIS A 39 -4.521 -2.475 -11.842 1.00 0.00 O ATOM 536 CB HIS A 39 -4.891 -2.432 -14.799 1.00 0.00 C ATOM 537 CG HIS A 39 -5.450 -2.586 -16.180 1.00 0.00 C ATOM 538 ND1 HIS A 39 -6.177 -3.584 -16.734 1.00 0.00 N flip ATOM 539 CD2 HIS A 39 -5.282 -1.641 -17.170 1.00 0.00 C flip ATOM 540 CE1 HIS A 39 -6.434 -3.227 -18.035 1.00 0.00 C flip ATOM 541 NE2 HIS A 39 -5.883 -2.050 -18.273 1.00 0.00 N flip ATOM 0 H HIS A 39 -7.025 -2.538 -13.160 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.137 -4.509 -14.314 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.209 -1.472 -14.392 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.803 -2.409 -14.857 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.743 -0.711 -17.061 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.995 -3.813 -18.748 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.916 -1.543 -19.158 1.00 0.00 H new ATOM 549 N SER A 40 -3.742 -4.540 -12.284 1.00 0.00 N ATOM 550 CA SER A 40 -2.908 -4.601 -11.090 1.00 0.00 C ATOM 551 C SER A 40 -1.428 -4.616 -11.461 1.00 0.00 C ATOM 552 O SER A 40 -1.033 -5.217 -12.460 1.00 0.00 O ATOM 553 CB SER A 40 -3.251 -5.842 -10.265 1.00 0.00 C ATOM 554 OG SER A 40 -3.219 -7.011 -11.065 1.00 0.00 O ATOM 0 H SER A 40 -3.700 -5.373 -12.871 1.00 0.00 H new ATOM 0 HA SER A 40 -3.106 -3.711 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.544 -5.942 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.241 -5.727 -9.823 1.00 0.00 H new ATOM 0 HG SER A 40 -3.440 -7.791 -10.514 1.00 0.00 H new ATOM 560 N PHE A 41 -0.614 -3.950 -10.649 1.00 0.00 N ATOM 561 CA PHE A 41 0.823 -3.884 -10.891 1.00 0.00 C ATOM 562 C PHE A 41 1.600 -4.001 -9.584 1.00 0.00 C ATOM 563 O PHE A 41 1.057 -3.774 -8.502 1.00 0.00 O ATOM 564 CB PHE A 41 1.183 -2.576 -11.598 1.00 0.00 C ATOM 565 CG PHE A 41 0.189 -2.167 -12.647 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.937 -1.436 -12.305 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.380 -2.515 -13.974 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.854 -1.058 -13.268 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.533 -2.139 -14.941 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.652 -1.411 -14.588 1.00 0.00 C ATOM 0 H PHE A 41 -0.925 -3.448 -9.817 1.00 0.00 H new ATOM 0 HA PHE A 41 1.098 -4.722 -11.532 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.263 -1.782 -10.856 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.165 -2.681 -12.060 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.100 -1.158 -11.274 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.252 -3.086 -14.256 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.727 -0.487 -12.989 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.371 -2.415 -15.973 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.368 -1.118 -15.342 1.00 0.00 H new ATOM 580 N CYS A 42 2.876 -4.357 -9.691 1.00 0.00 N ATOM 581 CA CYS A 42 3.730 -4.505 -8.519 1.00 0.00 C ATOM 582 C CYS A 42 3.629 -3.281 -7.613 1.00 0.00 C ATOM 583 O CYS A 42 3.825 -2.150 -8.057 1.00 0.00 O ATOM 584 CB CYS A 42 5.184 -4.718 -8.945 1.00 0.00 C ATOM 585 SG CYS A 42 5.427 -6.119 -10.085 1.00 0.00 S ATOM 0 H CYS A 42 3.341 -4.548 -10.578 1.00 0.00 H new ATOM 0 HA CYS A 42 3.390 -5.377 -7.961 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.549 -3.808 -9.422 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.793 -4.878 -8.055 1.00 0.00 H new ATOM 0 HG CYS A 42 5.007 -5.791 -11.271 1.00 0.00 H new ATOM 590 N ARG A 43 3.321 -3.516 -6.342 1.00 0.00 N ATOM 591 CA ARG A 43 3.192 -2.433 -5.374 1.00 0.00 C ATOM 592 C ARG A 43 4.174 -1.307 -5.684 1.00 0.00 C ATOM 593 O ARG A 43 3.834 -0.129 -5.586 1.00 0.00 O ATOM 594 CB ARG A 43 3.432 -2.957 -3.957 1.00 0.00 C ATOM 595 CG ARG A 43 3.166 -1.924 -2.873 1.00 0.00 C ATOM 596 CD ARG A 43 1.676 -1.729 -2.642 1.00 0.00 C ATOM 597 NE ARG A 43 1.397 -0.542 -1.838 1.00 0.00 N ATOM 598 CZ ARG A 43 1.283 0.680 -2.347 1.00 0.00 C ATOM 599 NH1 ARG A 43 1.423 0.874 -3.651 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.028 1.710 -1.551 1.00 0.00 N ATOM 0 H ARG A 43 3.156 -4.447 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 43 2.179 -2.037 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.793 -3.824 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.463 -3.300 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.641 -2.240 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.619 -0.974 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.168 -1.643 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.268 -2.608 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 43 1.283 -0.657 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.619 0.084 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.335 1.813 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.919 1.564 -0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.941 2.648 -1.943 1.00 0.00 H new ATOM 614 N ALA A 44 5.394 -1.679 -6.060 1.00 0.00 N ATOM 615 CA ALA A 44 6.424 -0.701 -6.386 1.00 0.00 C ATOM 616 C ALA A 44 6.205 -0.115 -7.776 1.00 0.00 C ATOM 617 O ALA A 44 6.017 1.092 -7.931 1.00 0.00 O ATOM 618 CB ALA A 44 7.804 -1.335 -6.290 1.00 0.00 C ATOM 0 H ALA A 44 5.692 -2.651 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 44 6.359 0.112 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.563 -0.593 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.968 -1.699 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.871 -2.168 -6.989 1.00 0.00 H new ATOM 624 N CYS A 45 6.230 -0.978 -8.787 1.00 0.00 N ATOM 625 CA CYS A 45 6.035 -0.546 -10.166 1.00 0.00 C ATOM 626 C CYS A 45 4.990 0.563 -10.247 1.00 0.00 C ATOM 627 O CYS A 45 5.291 1.685 -10.656 1.00 0.00 O ATOM 628 CB CYS A 45 5.607 -1.729 -11.037 1.00 0.00 C ATOM 629 SG CYS A 45 6.958 -2.883 -11.440 1.00 0.00 S ATOM 0 H CYS A 45 6.383 -1.980 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 45 6.983 -0.155 -10.535 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.817 -2.277 -10.524 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.180 -1.348 -11.965 1.00 0.00 H new ATOM 0 HG CYS A 45 6.579 -4.100 -11.187 1.00 0.00 H new ATOM 634 N ILE A 46 3.762 0.241 -9.853 1.00 0.00 N ATOM 635 CA ILE A 46 2.673 1.210 -9.880 1.00 0.00 C ATOM 636 C ILE A 46 3.102 2.535 -9.258 1.00 0.00 C ATOM 637 O ILE A 46 2.667 3.604 -9.687 1.00 0.00 O ATOM 638 CB ILE A 46 1.433 0.683 -9.134 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.275 1.675 -9.261 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.762 0.430 -7.671 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.089 1.028 -9.167 1.00 0.00 C ATOM 0 H ILE A 46 3.497 -0.683 -9.512 1.00 0.00 H new ATOM 0 HA ILE A 46 2.416 1.369 -10.927 1.00 0.00 H new ATOM 0 HB ILE A 46 1.130 -0.261 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.365 2.428 -8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.356 2.195 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.875 0.058 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.559 -0.310 -7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.087 1.360 -7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.861 1.791 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.200 0.295 -9.966 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.190 0.531 -8.202 1.00 0.00 H new ATOM 653 N THR A 47 3.958 2.457 -8.244 1.00 0.00 N ATOM 654 CA THR A 47 4.447 3.650 -7.563 1.00 0.00 C ATOM 655 C THR A 47 5.472 4.388 -8.416 1.00 0.00 C ATOM 656 O THR A 47 5.443 5.616 -8.516 1.00 0.00 O ATOM 657 CB THR A 47 5.082 3.300 -6.204 1.00 0.00 C ATOM 658 OG1 THR A 47 4.124 2.635 -5.373 1.00 0.00 O ATOM 659 CG2 THR A 47 5.585 4.553 -5.504 1.00 0.00 C ATOM 0 H THR A 47 4.327 1.580 -7.876 1.00 0.00 H new ATOM 0 HA THR A 47 3.585 4.296 -7.397 1.00 0.00 H new ATOM 0 HB THR A 47 5.929 2.638 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.137 1.674 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.029 4.281 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.335 5.041 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.752 5.236 -5.337 1.00 0.00 H new ATOM 667 N LEU A 48 6.378 3.635 -9.029 1.00 0.00 N ATOM 668 CA LEU A 48 7.413 4.218 -9.875 1.00 0.00 C ATOM 669 C LEU A 48 6.808 4.826 -11.136 1.00 0.00 C ATOM 670 O LEU A 48 6.992 6.009 -11.417 1.00 0.00 O ATOM 671 CB LEU A 48 8.449 3.158 -10.252 1.00 0.00 C ATOM 672 CG LEU A 48 9.603 2.966 -9.267 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.373 1.695 -9.588 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.529 4.174 -9.289 1.00 0.00 C ATOM 0 H LEU A 48 6.417 2.618 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 48 7.903 5.012 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.936 2.203 -10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.867 3.418 -11.224 1.00 0.00 H new ATOM 0 HG LEU A 48 9.188 2.870 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.190 1.575 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.704 0.837 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.778 1.760 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.344 4.020 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.937 4.301 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.969 5.067 -9.009 1.00 0.00 H new ATOM 686 N ASN A 49 6.083 4.007 -11.892 1.00 0.00 N ATOM 687 CA ASN A 49 5.448 4.464 -13.123 1.00 0.00 C ATOM 688 C ASN A 49 4.666 5.752 -12.886 1.00 0.00 C ATOM 689 O ASN A 49 4.785 6.712 -13.648 1.00 0.00 O ATOM 690 CB ASN A 49 4.516 3.382 -13.673 1.00 0.00 C ATOM 691 CG ASN A 49 4.242 3.554 -15.155 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.188 4.052 -15.549 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.194 3.141 -15.984 1.00 0.00 N ATOM 0 H ASN A 49 5.921 3.024 -11.674 1.00 0.00 H new ATOM 0 HA ASN A 49 6.232 4.665 -13.854 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.960 2.402 -13.500 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.573 3.406 -13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.067 3.231 -16.992 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.052 2.734 -15.613 1.00 0.00 H new ATOM 700 N TYR A 50 3.867 5.766 -11.825 1.00 0.00 N ATOM 701 CA TYR A 50 3.064 6.935 -11.488 1.00 0.00 C ATOM 702 C TYR A 50 3.952 8.144 -11.207 1.00 0.00 C ATOM 703 O TYR A 50 3.718 9.233 -11.729 1.00 0.00 O ATOM 704 CB TYR A 50 2.183 6.642 -10.272 1.00 0.00 C ATOM 705 CG TYR A 50 1.771 7.881 -9.510 1.00 0.00 C ATOM 706 CD1 TYR A 50 1.192 8.962 -10.163 1.00 0.00 C ATOM 707 CD2 TYR A 50 1.960 7.970 -8.136 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.815 10.096 -9.471 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.584 9.100 -7.436 1.00 0.00 C ATOM 710 CZ TYR A 50 1.013 10.161 -8.107 1.00 0.00 C ATOM 711 OH TYR A 50 0.637 11.288 -7.414 1.00 0.00 O ATOM 0 H TYR A 50 3.758 4.981 -11.183 1.00 0.00 H new ATOM 0 HA TYR A 50 2.428 7.165 -12.343 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.288 6.114 -10.601 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.719 5.973 -9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.034 8.915 -11.230 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.408 7.142 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.367 10.928 -9.995 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.736 9.152 -6.368 1.00 0.00 H new ATOM 0 HH TYR A 50 0.844 11.172 -6.463 1.00 0.00 H new ATOM 721 N GLU A 51 4.971 7.941 -10.379 1.00 0.00 N ATOM 722 CA GLU A 51 5.895 9.014 -10.028 1.00 0.00 C ATOM 723 C GLU A 51 6.541 9.605 -11.277 1.00 0.00 C ATOM 724 O GLU A 51 6.592 10.824 -11.445 1.00 0.00 O ATOM 725 CB GLU A 51 6.976 8.495 -9.078 1.00 0.00 C ATOM 726 CG GLU A 51 6.445 8.094 -7.712 1.00 0.00 C ATOM 727 CD GLU A 51 6.479 9.235 -6.714 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.462 10.005 -6.725 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.521 9.359 -5.922 1.00 0.00 O ATOM 0 H GLU A 51 5.178 7.045 -9.939 1.00 0.00 H new ATOM 0 HA GLU A 51 5.328 9.799 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.466 7.635 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.736 9.265 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.420 7.737 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.035 7.262 -7.327 1.00 0.00 H new ATOM 861 N ASN A 61 -1.278 7.790 -13.754 1.00 0.00 N ATOM 862 CA ASN A 61 -1.486 7.300 -15.112 1.00 0.00 C ATOM 863 C ASN A 61 -1.260 5.793 -15.186 1.00 0.00 C ATOM 864 O ASN A 61 -0.342 5.260 -14.562 1.00 0.00 O ATOM 865 CB ASN A 61 -0.548 8.016 -16.085 1.00 0.00 C ATOM 866 CG ASN A 61 -0.872 9.491 -16.221 1.00 0.00 C ATOM 867 OD1 ASN A 61 -1.557 9.905 -17.157 1.00 0.00 O ATOM 868 ND2 ASN A 61 -0.380 10.293 -15.284 1.00 0.00 N ATOM 0 HA ASN A 61 -2.518 7.510 -15.393 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.481 7.903 -15.743 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.613 7.541 -17.064 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.565 11.295 -15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.183 9.907 -14.526 1.00 0.00 H new ATOM 875 N CYS A 62 -2.103 5.111 -15.954 1.00 0.00 N ATOM 876 CA CYS A 62 -1.997 3.665 -16.112 1.00 0.00 C ATOM 877 C CYS A 62 -1.112 3.312 -17.303 1.00 0.00 C ATOM 878 O CYS A 62 -1.325 3.772 -18.425 1.00 0.00 O ATOM 879 CB CYS A 62 -3.385 3.048 -16.292 1.00 0.00 C ATOM 880 SG CYS A 62 -3.486 1.293 -15.813 1.00 0.00 S ATOM 0 H CYS A 62 -2.868 5.537 -16.477 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.540 3.258 -15.210 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.103 3.617 -15.701 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.682 3.146 -17.336 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.711 1.001 -15.492 1.00 0.00 H new ATOM 885 N PRO A 63 -0.094 2.474 -17.056 1.00 0.00 N ATOM 886 CA PRO A 63 0.844 2.039 -18.096 1.00 0.00 C ATOM 887 C PRO A 63 0.193 1.104 -19.109 1.00 0.00 C ATOM 888 O PRO A 63 0.872 0.510 -19.946 1.00 0.00 O ATOM 889 CB PRO A 63 1.929 1.301 -17.308 1.00 0.00 C ATOM 890 CG PRO A 63 1.248 0.838 -16.067 1.00 0.00 C ATOM 891 CD PRO A 63 0.220 1.887 -15.743 1.00 0.00 C ATOM 0 HA PRO A 63 1.219 2.877 -18.683 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.329 0.462 -17.877 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.767 1.959 -17.078 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.779 -0.134 -16.219 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.961 0.724 -15.250 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.664 1.453 -15.275 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.612 2.634 -15.052 1.00 0.00 H new ATOM 899 N VAL A 64 -1.128 0.979 -19.029 1.00 0.00 N ATOM 900 CA VAL A 64 -1.871 0.118 -19.941 1.00 0.00 C ATOM 901 C VAL A 64 -2.943 0.904 -20.688 1.00 0.00 C ATOM 902 O VAL A 64 -2.892 1.034 -21.912 1.00 0.00 O ATOM 903 CB VAL A 64 -2.537 -1.051 -19.191 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.237 -1.983 -20.168 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.509 -1.807 -18.363 1.00 0.00 C ATOM 0 H VAL A 64 -1.706 1.463 -18.342 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.152 -0.281 -20.656 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.288 -0.644 -18.513 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.702 -2.803 -19.620 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.003 -1.431 -20.713 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.509 -2.385 -20.873 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.997 -2.629 -17.840 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.734 -2.203 -19.019 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.059 -1.131 -17.636 1.00 0.00 H new ATOM 915 N CYS A 65 -3.912 1.427 -19.945 1.00 0.00 N ATOM 916 CA CYS A 65 -4.997 2.201 -20.537 1.00 0.00 C ATOM 917 C CYS A 65 -4.874 3.677 -20.170 1.00 0.00 C ATOM 918 O CYS A 65 -5.845 4.430 -20.252 1.00 0.00 O ATOM 919 CB CYS A 65 -6.350 1.659 -20.072 1.00 0.00 C ATOM 920 SG CYS A 65 -6.576 1.674 -18.265 1.00 0.00 S ATOM 0 H CYS A 65 -3.968 1.329 -18.931 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.929 2.107 -21.621 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.143 2.249 -20.531 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.463 0.637 -20.433 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.414 1.703 -17.683 1.00 0.00 H new ATOM 925 N ARG A 66 -3.675 4.083 -19.766 1.00 0.00 N ATOM 926 CA ARG A 66 -3.426 5.469 -19.386 1.00 0.00 C ATOM 927 C ARG A 66 -4.671 6.094 -18.763 1.00 0.00 C ATOM 928 O ARG A 66 -4.977 7.262 -19.001 1.00 0.00 O ATOM 929 CB ARG A 66 -2.989 6.283 -20.605 1.00 0.00 C ATOM 930 CG ARG A 66 -3.985 6.244 -21.753 1.00 0.00 C ATOM 931 CD ARG A 66 -3.684 5.105 -22.713 1.00 0.00 C ATOM 932 NE ARG A 66 -4.239 5.347 -24.042 1.00 0.00 N ATOM 933 CZ ARG A 66 -3.760 4.794 -25.151 1.00 0.00 C ATOM 934 NH1 ARG A 66 -2.722 3.971 -25.090 1.00 0.00 N ATOM 935 NH2 ARG A 66 -4.319 5.064 -26.323 1.00 0.00 N ATOM 0 H ARG A 66 -2.861 3.473 -19.693 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.626 5.479 -18.645 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.836 7.319 -20.303 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.028 5.908 -20.956 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.994 6.130 -21.357 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.959 7.191 -22.291 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.605 4.972 -22.790 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.092 4.177 -22.313 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.038 5.975 -24.123 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.290 3.761 -24.190 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.356 3.548 -25.943 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.117 5.697 -26.374 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.950 4.639 -27.174 1.00 0.00 H new ATOM 949 N VAL A 67 -5.385 5.307 -17.964 1.00 0.00 N ATOM 950 CA VAL A 67 -6.596 5.783 -17.306 1.00 0.00 C ATOM 951 C VAL A 67 -6.271 6.457 -15.978 1.00 0.00 C ATOM 952 O VAL A 67 -5.608 5.888 -15.110 1.00 0.00 O ATOM 953 CB VAL A 67 -7.588 4.632 -17.056 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.120 3.767 -15.896 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.983 5.179 -16.795 1.00 0.00 C ATOM 0 H VAL A 67 -5.146 4.337 -17.757 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.056 6.510 -17.976 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.628 4.009 -17.949 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.833 2.959 -15.734 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.141 3.346 -16.127 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.049 4.375 -14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.671 4.352 -16.620 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.962 5.825 -15.917 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.317 5.752 -17.660 1.00 0.00 H new ATOM 965 N PRO A 68 -6.747 7.700 -15.813 1.00 0.00 N ATOM 966 CA PRO A 68 -6.521 8.479 -14.592 1.00 0.00 C ATOM 967 C PRO A 68 -7.288 7.921 -13.398 1.00 0.00 C ATOM 968 O PRO A 68 -8.505 8.078 -13.301 1.00 0.00 O ATOM 969 CB PRO A 68 -7.041 9.872 -14.958 1.00 0.00 C ATOM 970 CG PRO A 68 -8.043 9.631 -16.034 1.00 0.00 C ATOM 971 CD PRO A 68 -7.545 8.440 -16.805 1.00 0.00 C ATOM 0 HA PRO A 68 -5.474 8.466 -14.289 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.495 10.364 -14.098 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.234 10.517 -15.306 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.029 9.438 -15.612 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.138 10.503 -16.681 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.368 7.837 -17.189 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.942 8.740 -17.662 1.00 0.00 H new ATOM 979 N TYR A 69 -6.568 7.270 -12.491 1.00 0.00 N ATOM 980 CA TYR A 69 -7.181 6.687 -11.303 1.00 0.00 C ATOM 981 C TYR A 69 -6.728 7.416 -10.042 1.00 0.00 C ATOM 982 O TYR A 69 -5.580 7.844 -9.920 1.00 0.00 O ATOM 983 CB TYR A 69 -6.832 5.201 -11.201 1.00 0.00 C ATOM 984 CG TYR A 69 -5.347 4.933 -11.112 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.571 4.824 -12.259 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.720 4.789 -9.880 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.214 4.578 -12.182 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.363 4.545 -9.794 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.614 4.439 -10.948 1.00 0.00 C ATOM 990 OH TYR A 69 -1.262 4.196 -10.867 1.00 0.00 O ATOM 0 H TYR A 69 -5.559 7.133 -12.556 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.262 6.794 -11.393 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.322 4.781 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.235 4.681 -12.070 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.037 4.933 -13.227 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.303 4.869 -8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.626 4.495 -13.084 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.891 4.438 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.998 4.126 -9.926 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.651 7.561 -9.080 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.370 8.236 -7.809 1.00 0.00 C ATOM 1002 C PRO A 70 -6.428 7.432 -6.921 1.00 0.00 C ATOM 1003 O PRO A 70 -6.784 6.360 -6.431 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.750 8.353 -7.157 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.545 7.242 -7.751 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.039 7.076 -9.157 1.00 0.00 C ATOM 0 HA PRO A 70 -6.871 9.194 -7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.685 8.258 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.205 9.321 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.418 6.323 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.609 7.477 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.084 6.036 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.628 7.656 -9.867 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.224 7.955 -6.716 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.229 7.285 -5.886 1.00 0.00 C ATOM 1016 C PHE A 71 -4.823 6.892 -4.536 1.00 0.00 C ATOM 1017 O PHE A 71 -5.648 7.613 -3.975 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.014 8.190 -5.678 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.737 7.435 -5.443 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.240 6.571 -6.406 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.034 7.588 -4.259 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.065 5.875 -6.193 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.142 6.895 -4.040 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.626 6.036 -5.008 1.00 0.00 C ATOM 0 H PHE A 71 -4.913 8.841 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.913 6.378 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.893 8.829 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.201 8.846 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.777 6.440 -7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.409 8.256 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.312 5.206 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.682 7.025 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.543 5.491 -4.838 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.397 5.743 -4.020 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.897 5.274 -2.741 1.00 0.00 C ATOM 1036 C GLY A 72 -5.996 4.240 -2.892 1.00 0.00 C ATOM 1037 O GLY A 72 -5.859 3.108 -2.431 1.00 0.00 O ATOM 0 H GLY A 72 -3.715 5.129 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.075 4.845 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.276 6.121 -2.169 1.00 0.00 H new ATOM 1041 N ASN A 73 -7.089 4.632 -3.538 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.217 3.732 -3.746 1.00 0.00 C ATOM 1043 C ASN A 73 -7.735 2.314 -4.038 1.00 0.00 C ATOM 1044 O ASN A 73 -8.324 1.338 -3.571 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.091 4.233 -4.899 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.188 5.168 -4.428 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -11.281 4.730 -4.072 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -9.899 6.464 -4.426 1.00 0.00 N ATOM 0 H ASN A 73 -7.217 5.566 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.809 3.715 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.466 4.749 -5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.538 3.380 -5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.597 7.142 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.979 6.782 -4.730 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.661 2.208 -4.812 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.098 0.909 -5.166 1.00 0.00 C ATOM 1057 C LEU A 74 -6.251 -0.082 -4.017 1.00 0.00 C ATOM 1058 O LEU A 74 -5.994 0.249 -2.859 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.621 1.055 -5.536 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.304 2.054 -6.650 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.853 2.502 -6.568 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.600 1.445 -8.013 1.00 0.00 C ATOM 0 H LEU A 74 -6.162 3.005 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.645 0.526 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.071 1.351 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.243 0.077 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.941 2.929 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.646 3.212 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.673 2.978 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.199 1.637 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.369 2.170 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.989 0.553 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.655 1.175 -8.070 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.668 -1.300 -4.344 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.851 -2.342 -3.341 1.00 0.00 C ATOM 1076 C LYS A 75 -5.762 -3.404 -3.453 1.00 0.00 C ATOM 1077 O LYS A 75 -5.304 -3.745 -4.544 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.229 -2.991 -3.496 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.380 -2.005 -3.400 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.799 -1.777 -1.957 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.791 -0.629 -1.840 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.963 -0.187 -0.429 1.00 0.00 N ATOM 0 H LYS A 75 -6.886 -1.590 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.782 -1.879 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.276 -3.499 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.350 -3.754 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.086 -1.056 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.229 -2.379 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.246 -2.688 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.919 -1.562 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.448 0.211 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.755 -0.939 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.646 0.596 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.315 -0.981 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.048 0.133 -0.052 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.336 -3.941 -2.300 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.297 -4.973 -2.244 1.00 0.00 C ATOM 1098 C PRO A 76 -4.776 -6.309 -2.803 1.00 0.00 C ATOM 1099 O PRO A 76 -5.724 -6.902 -2.291 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.000 -5.095 -0.747 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.250 -4.643 -0.074 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.838 -3.582 -0.963 1.00 0.00 C ATOM 0 HA PRO A 76 -3.427 -4.709 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.753 -6.121 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.150 -4.476 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.945 -5.472 0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.037 -4.247 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.927 -3.587 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.514 -2.584 -0.667 1.00 0.00 H new