USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0545 (180deg=-0.361) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.00407 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -82:sc= 1.15 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 75:sc= -1.58 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.31) USER MOD Single : A 26 GLN : amide:sc= -0.0962 X(o=-0.096,f=-0.4) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.0822 USER MOD Single : A 29 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.5!) USER MOD Single : A 30 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 32 LYS NZ :NH3+ 170:sc=-0.00588 (180deg=-0.123) USER MOD Single : A 33 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 142:sc= -1.99 USER MOD Single : A 43 SER OG : rot 134:sc= 1.41 USER MOD Single : A 45 GLN : amide:sc= -1.64 K(o=-1.6,f=-6.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00509 USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.585 (180deg=-1.18) USER MOD Single : A 53 MET CE :methyl -115:sc= -0.0419 (180deg=-2.32!) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 1.16 (180deg=0.989) USER MOD Single : A 62 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.91) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0172 (180deg=-0.187) USER MOD Single : A 66 THR OG1 : rot -150:sc= -0.0404 USER MOD Single : A 68 SER OG : rot 70:sc= 0.299 USER MOD Single : A 76 SER OG : rot 69:sc= 0.999 USER MOD Single : A 82 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.99 K(o=-2,f=-12!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.769 3.957 6.358 1.00 0.00 N ATOM 2 CA MET A 1 -14.142 3.910 5.017 1.00 0.00 C ATOM 3 C MET A 1 -13.322 2.634 4.874 1.00 0.00 C ATOM 4 O MET A 1 -12.563 2.281 5.776 1.00 0.00 O ATOM 5 CB MET A 1 -13.244 5.135 4.810 1.00 0.00 C ATOM 6 CG MET A 1 -12.458 5.103 3.510 1.00 0.00 C ATOM 7 SD MET A 1 -13.515 5.111 2.049 1.00 0.00 S ATOM 8 CE MET A 1 -14.247 6.743 2.153 1.00 0.00 C ATOM 0 H1 MET A 1 -14.909 4.948 6.641 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.688 3.472 6.329 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.150 3.485 7.047 1.00 0.00 H new ATOM 0 HA MET A 1 -14.926 3.917 4.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.860 6.034 4.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.546 5.208 5.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.791 5.964 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.830 4.212 3.493 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.707 6.997 1.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.006 6.752 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.474 7.474 2.389 1.00 0.00 H new ATOM 20 N THR A 2 -13.471 1.941 3.749 1.00 0.00 N ATOM 21 CA THR A 2 -12.727 0.710 3.524 1.00 0.00 C ATOM 22 C THR A 2 -11.449 1.002 2.749 1.00 0.00 C ATOM 23 O THR A 2 -11.334 2.045 2.100 1.00 0.00 O ATOM 24 CB THR A 2 -13.571 -0.344 2.771 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.037 0.188 1.524 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.760 -0.783 3.608 1.00 0.00 C ATOM 0 H THR A 2 -14.094 2.209 2.987 1.00 0.00 H new ATOM 0 HA THR A 2 -12.474 0.297 4.501 1.00 0.00 H new ATOM 0 HB THR A 2 -12.935 -1.208 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.836 0.734 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.339 -1.525 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.406 -1.219 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.390 0.080 3.826 1.00 0.00 H new ATOM 34 N PHE A 3 -10.489 0.091 2.820 1.00 0.00 N ATOM 35 CA PHE A 3 -9.204 0.300 2.168 1.00 0.00 C ATOM 36 C PHE A 3 -9.376 0.316 0.655 1.00 0.00 C ATOM 37 O PHE A 3 -8.780 1.137 -0.034 1.00 0.00 O ATOM 38 CB PHE A 3 -8.198 -0.780 2.575 1.00 0.00 C ATOM 39 CG PHE A 3 -6.812 -0.554 2.025 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.977 0.397 2.588 1.00 0.00 C ATOM 41 CD2 PHE A 3 -6.348 -1.287 0.939 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.707 0.613 2.086 1.00 0.00 C ATOM 43 CE2 PHE A 3 -5.078 -1.073 0.433 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.258 -0.122 1.006 1.00 0.00 C ATOM 0 H PHE A 3 -10.574 -0.794 3.319 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.814 1.266 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.145 -0.824 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.561 -1.750 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.323 0.978 3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.985 -2.031 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.066 1.356 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.728 -1.650 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.267 0.047 0.611 1.00 0.00 H new ATOM 54 N SER A 4 -10.210 -0.585 0.149 1.00 0.00 N ATOM 55 CA SER A 4 -10.491 -0.658 -1.279 1.00 0.00 C ATOM 56 C SER A 4 -11.079 0.662 -1.782 1.00 0.00 C ATOM 57 O SER A 4 -10.710 1.149 -2.851 1.00 0.00 O ATOM 58 CB SER A 4 -11.453 -1.815 -1.572 1.00 0.00 C ATOM 59 OG SER A 4 -11.698 -1.954 -2.962 1.00 0.00 O ATOM 0 H SER A 4 -10.705 -1.278 0.710 1.00 0.00 H new ATOM 0 HA SER A 4 -9.554 -0.839 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.036 -2.743 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.396 -1.645 -1.051 1.00 0.00 H new ATOM 0 HG SER A 4 -12.314 -2.701 -3.113 1.00 0.00 H new ATOM 65 N GLU A 5 -11.981 1.238 -0.996 1.00 0.00 N ATOM 66 CA GLU A 5 -12.605 2.507 -1.343 1.00 0.00 C ATOM 67 C GLU A 5 -11.602 3.651 -1.261 1.00 0.00 C ATOM 68 O GLU A 5 -11.516 4.477 -2.168 1.00 0.00 O ATOM 69 CB GLU A 5 -13.787 2.777 -0.417 1.00 0.00 C ATOM 70 CG GLU A 5 -15.051 2.058 -0.832 1.00 0.00 C ATOM 71 CD GLU A 5 -16.203 2.347 0.102 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.233 1.765 1.207 1.00 0.00 O ATOM 73 OE2 GLU A 5 -17.081 3.161 -0.259 1.00 0.00 O ATOM 0 H GLU A 5 -12.297 0.843 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.962 2.443 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.522 2.475 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.980 3.849 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.322 2.358 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.865 0.984 -0.856 1.00 0.00 H new ATOM 80 N CYS A 6 -10.841 3.678 -0.178 1.00 0.00 N ATOM 81 CA CYS A 6 -9.859 4.732 0.055 1.00 0.00 C ATOM 82 C CYS A 6 -8.765 4.702 -1.005 1.00 0.00 C ATOM 83 O CYS A 6 -8.405 5.734 -1.575 1.00 0.00 O ATOM 84 CB CYS A 6 -9.237 4.568 1.437 1.00 0.00 C ATOM 85 SG CYS A 6 -8.296 6.006 1.998 1.00 0.00 S ATOM 0 H CYS A 6 -10.884 2.976 0.561 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.371 5.692 -0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.028 4.361 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.580 3.698 1.427 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.116 6.949 2.355 1.00 0.00 H new ATOM 91 N ALA A 7 -8.238 3.511 -1.255 1.00 0.00 N ATOM 92 CA ALA A 7 -7.218 3.318 -2.280 1.00 0.00 C ATOM 93 C ALA A 7 -7.732 3.780 -3.636 1.00 0.00 C ATOM 94 O ALA A 7 -7.027 4.461 -4.377 1.00 0.00 O ATOM 95 CB ALA A 7 -6.784 1.859 -2.341 1.00 0.00 C ATOM 0 H ALA A 7 -8.501 2.659 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.349 3.921 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.023 1.738 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.374 1.561 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.644 1.233 -2.579 1.00 0.00 H new ATOM 101 N ALA A 8 -8.978 3.429 -3.941 1.00 0.00 N ATOM 102 CA ALA A 8 -9.604 3.850 -5.184 1.00 0.00 C ATOM 103 C ALA A 8 -9.688 5.369 -5.256 1.00 0.00 C ATOM 104 O ALA A 8 -9.413 5.957 -6.296 1.00 0.00 O ATOM 105 CB ALA A 8 -10.987 3.232 -5.326 1.00 0.00 C ATOM 0 H ALA A 8 -9.571 2.854 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.986 3.501 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.438 3.560 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.902 2.145 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.614 3.547 -4.492 1.00 0.00 H new ATOM 111 N LEU A 9 -10.043 5.999 -4.139 1.00 0.00 N ATOM 112 CA LEU A 9 -10.135 7.456 -4.077 1.00 0.00 C ATOM 113 C LEU A 9 -8.786 8.096 -4.382 1.00 0.00 C ATOM 114 O LEU A 9 -8.713 9.088 -5.106 1.00 0.00 O ATOM 115 CB LEU A 9 -10.624 7.918 -2.700 1.00 0.00 C ATOM 116 CG LEU A 9 -12.054 7.516 -2.339 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.381 7.953 -0.920 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.044 8.122 -3.321 1.00 0.00 C ATOM 0 H LEU A 9 -10.271 5.525 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.857 7.772 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.951 7.518 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.548 9.004 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.133 6.430 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.402 7.661 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.691 7.476 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.285 9.036 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.056 7.824 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.965 9.209 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.821 7.768 -4.327 1.00 0.00 H new ATOM 130 N TYR A 10 -7.725 7.522 -3.826 1.00 0.00 N ATOM 131 CA TYR A 10 -6.370 8.012 -4.065 1.00 0.00 C ATOM 132 C TYR A 10 -6.032 7.948 -5.552 1.00 0.00 C ATOM 133 O TYR A 10 -5.543 8.920 -6.138 1.00 0.00 O ATOM 134 CB TYR A 10 -5.351 7.188 -3.267 1.00 0.00 C ATOM 135 CG TYR A 10 -3.911 7.610 -3.486 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.349 8.647 -2.753 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.113 6.968 -4.428 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.038 9.036 -2.953 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.803 7.351 -4.636 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.269 8.384 -3.896 1.00 0.00 C ATOM 141 OH TYR A 10 0.035 8.772 -4.106 1.00 0.00 O ATOM 0 H TYR A 10 -7.776 6.715 -3.205 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.322 9.050 -3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.585 7.269 -2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.456 6.137 -3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.947 9.159 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.526 6.155 -5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.618 9.845 -2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.200 6.844 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 10 0.435 8.210 -4.802 1.00 0.00 H new ATOM 151 N ILE A 11 -6.294 6.796 -6.145 1.00 0.00 N ATOM 152 CA ILE A 11 -5.994 6.558 -7.551 1.00 0.00 C ATOM 153 C ILE A 11 -6.856 7.435 -8.460 1.00 0.00 C ATOM 154 O ILE A 11 -6.342 8.095 -9.361 1.00 0.00 O ATOM 155 CB ILE A 11 -6.196 5.069 -7.910 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.249 4.201 -7.076 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.965 4.834 -9.398 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.475 2.713 -7.237 1.00 0.00 C ATOM 0 H ILE A 11 -6.719 6.000 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.949 6.822 -7.711 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.225 4.791 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.221 4.434 -7.353 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.363 4.464 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.113 3.779 -9.627 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.670 5.433 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.947 5.122 -9.658 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.765 2.168 -6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.491 2.464 -6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.331 2.434 -8.281 1.00 0.00 H new ATOM 170 N LYS A 12 -8.159 7.459 -8.202 1.00 0.00 N ATOM 171 CA LYS A 12 -9.094 8.236 -9.015 1.00 0.00 C ATOM 172 C LYS A 12 -8.797 9.731 -8.933 1.00 0.00 C ATOM 173 O LYS A 12 -8.948 10.456 -9.917 1.00 0.00 O ATOM 174 CB LYS A 12 -10.540 7.941 -8.599 1.00 0.00 C ATOM 175 CG LYS A 12 -10.973 6.512 -8.897 1.00 0.00 C ATOM 176 CD LYS A 12 -12.373 6.220 -8.380 1.00 0.00 C ATOM 177 CE LYS A 12 -13.433 7.011 -9.129 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.800 6.727 -8.616 1.00 0.00 N ATOM 0 H LYS A 12 -8.595 6.948 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.965 7.934 -10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.650 8.131 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.207 8.631 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.941 6.341 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.267 5.817 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.580 5.154 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.425 6.460 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.224 8.077 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.385 6.768 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.495 7.285 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.009 5.714 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.853 6.983 -7.609 1.00 0.00 H new ATOM 192 N ALA A 13 -8.350 10.186 -7.768 1.00 0.00 N ATOM 193 CA ALA A 13 -7.981 11.591 -7.589 1.00 0.00 C ATOM 194 C ALA A 13 -6.740 11.936 -8.411 1.00 0.00 C ATOM 195 O ALA A 13 -6.542 13.082 -8.816 1.00 0.00 O ATOM 196 CB ALA A 13 -7.739 11.898 -6.118 1.00 0.00 C ATOM 0 H ALA A 13 -8.234 9.608 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.810 12.205 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.466 12.947 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.647 11.697 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.930 11.270 -5.744 1.00 0.00 H new ATOM 202 N HIS A 14 -5.908 10.933 -8.662 1.00 0.00 N ATOM 203 CA HIS A 14 -4.667 11.139 -9.401 1.00 0.00 C ATOM 204 C HIS A 14 -4.810 10.721 -10.860 1.00 0.00 C ATOM 205 O HIS A 14 -3.856 10.807 -11.623 1.00 0.00 O ATOM 206 CB HIS A 14 -3.509 10.375 -8.746 1.00 0.00 C ATOM 207 CG HIS A 14 -2.994 11.020 -7.497 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.510 10.756 -6.248 1.00 0.00 N ATOM 209 CD2 HIS A 14 -2.000 11.920 -7.306 1.00 0.00 C ATOM 210 CE1 HIS A 14 -2.859 11.464 -5.346 1.00 0.00 C ATOM 211 NE2 HIS A 14 -1.937 12.179 -5.960 1.00 0.00 N ATOM 0 H HIS A 14 -6.069 9.970 -8.366 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.446 12.206 -9.373 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.839 9.363 -8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.692 10.287 -9.462 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.277 10.113 -6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.373 12.353 -8.071 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.049 11.459 -4.283 1.00 0.00 H new ATOM 220 N ARG A 15 -6.007 10.291 -11.247 1.00 0.00 N ATOM 221 CA ARG A 15 -6.268 9.874 -12.624 1.00 0.00 C ATOM 222 C ARG A 15 -6.045 11.023 -13.600 1.00 0.00 C ATOM 223 O ARG A 15 -5.613 10.814 -14.731 1.00 0.00 O ATOM 224 CB ARG A 15 -7.698 9.360 -12.755 1.00 0.00 C ATOM 225 CG ARG A 15 -7.904 7.979 -12.170 1.00 0.00 C ATOM 226 CD ARG A 15 -7.339 6.896 -13.074 1.00 0.00 C ATOM 227 NE ARG A 15 -7.992 6.884 -14.384 1.00 0.00 N ATOM 228 CZ ARG A 15 -8.157 5.790 -15.128 1.00 0.00 C ATOM 229 NH1 ARG A 15 -7.717 4.614 -14.692 1.00 0.00 N ATOM 230 NH2 ARG A 15 -8.758 5.881 -16.311 1.00 0.00 N ATOM 0 H ARG A 15 -6.814 10.222 -10.627 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.570 9.074 -12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.373 10.059 -12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.974 9.343 -13.809 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.426 7.923 -11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.969 7.805 -12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.268 7.053 -13.203 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.463 5.924 -12.597 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.343 7.769 -14.751 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.252 4.547 -13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.844 3.778 -15.263 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.091 6.785 -16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.886 5.047 -16.883 1.00 0.00 H new ATOM 244 N SER A 16 -6.345 12.231 -13.151 1.00 0.00 N ATOM 245 CA SER A 16 -6.146 13.420 -13.953 1.00 0.00 C ATOM 246 C SER A 16 -4.657 13.694 -14.158 1.00 0.00 C ATOM 247 O SER A 16 -4.244 14.205 -15.201 1.00 0.00 O ATOM 248 CB SER A 16 -6.809 14.598 -13.254 1.00 0.00 C ATOM 249 OG SER A 16 -8.125 14.257 -12.847 1.00 0.00 O ATOM 0 H SER A 16 -6.731 12.411 -12.224 1.00 0.00 H new ATOM 0 HA SER A 16 -6.595 13.272 -14.935 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.219 14.893 -12.387 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.840 15.456 -13.925 1.00 0.00 H new ATOM 0 HG SER A 16 -8.538 15.024 -12.398 1.00 0.00 H new ATOM 255 N SER A 17 -3.862 13.340 -13.155 1.00 0.00 N ATOM 256 CA SER A 17 -2.425 13.515 -13.208 1.00 0.00 C ATOM 257 C SER A 17 -1.793 12.381 -14.005 1.00 0.00 C ATOM 258 O SER A 17 -0.794 12.567 -14.701 1.00 0.00 O ATOM 259 CB SER A 17 -1.873 13.536 -11.785 1.00 0.00 C ATOM 260 OG SER A 17 -2.659 14.376 -10.953 1.00 0.00 O ATOM 0 H SER A 17 -4.199 12.925 -12.286 1.00 0.00 H new ATOM 0 HA SER A 17 -2.186 14.457 -13.701 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.860 12.524 -11.380 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.842 13.888 -11.795 1.00 0.00 H new ATOM 0 HG SER A 17 -2.290 14.375 -10.045 1.00 0.00 H new ATOM 266 N TRP A 18 -2.404 11.209 -13.907 1.00 0.00 N ATOM 267 CA TRP A 18 -1.939 10.028 -14.616 1.00 0.00 C ATOM 268 C TRP A 18 -2.697 9.873 -15.926 1.00 0.00 C ATOM 269 O TRP A 18 -3.145 8.784 -16.279 1.00 0.00 O ATOM 270 CB TRP A 18 -2.129 8.781 -13.750 1.00 0.00 C ATOM 271 CG TRP A 18 -1.348 8.807 -12.475 1.00 0.00 C ATOM 272 CD1 TRP A 18 -0.206 9.510 -12.223 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.641 8.078 -11.279 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.226 9.263 -10.947 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.638 8.386 -10.346 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.659 7.196 -10.909 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.618 7.837 -9.067 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.640 6.652 -9.642 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.626 6.974 -8.731 1.00 0.00 C ATOM 0 H TRP A 18 -3.234 11.051 -13.335 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.877 10.146 -14.833 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.188 8.671 -13.515 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.838 7.902 -14.326 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.285 10.165 -12.927 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.057 9.667 -10.514 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.447 6.944 -11.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.165 8.083 -8.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.420 5.966 -9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.640 6.533 -7.745 1.00 0.00 H new ATOM 340 N LYS A 22 -1.339 4.653 -18.347 1.00 0.00 N ATOM 341 CA LYS A 22 -2.169 3.658 -17.679 1.00 0.00 C ATOM 342 C LYS A 22 -1.445 2.932 -16.549 1.00 0.00 C ATOM 343 O LYS A 22 -1.866 1.855 -16.132 1.00 0.00 O ATOM 344 CB LYS A 22 -2.715 2.654 -18.688 1.00 0.00 C ATOM 345 CG LYS A 22 -3.849 3.214 -19.532 1.00 0.00 C ATOM 346 CD LYS A 22 -4.421 2.178 -20.486 1.00 0.00 C ATOM 347 CE LYS A 22 -3.442 1.834 -21.597 1.00 0.00 C ATOM 348 NZ LYS A 22 -4.003 0.814 -22.520 1.00 0.00 N ATOM 0 HA LYS A 22 -2.995 4.202 -17.222 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.907 2.331 -19.344 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.067 1.770 -18.157 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.641 3.579 -18.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.487 4.070 -20.102 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.675 1.274 -19.932 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.346 2.556 -20.921 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.194 2.736 -22.157 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.514 1.462 -21.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.310 0.602 -23.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.217 -0.054 -21.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.876 1.179 -22.952 1.00 0.00 H new ATOM 362 N HIS A 23 -0.372 3.518 -16.037 1.00 0.00 N ATOM 363 CA HIS A 23 0.241 3.021 -14.805 1.00 0.00 C ATOM 364 C HIS A 23 -0.759 3.115 -13.652 1.00 0.00 C ATOM 365 O HIS A 23 -0.680 2.359 -12.689 1.00 0.00 O ATOM 366 CB HIS A 23 1.578 3.718 -14.478 1.00 0.00 C ATOM 367 CG HIS A 23 1.512 5.187 -14.193 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.072 5.749 -13.070 1.00 0.00 N ATOM 369 CD2 HIS A 23 1.024 6.215 -14.920 1.00 0.00 C ATOM 370 CE1 HIS A 23 1.931 7.058 -13.119 1.00 0.00 C ATOM 371 NE2 HIS A 23 1.300 7.373 -14.234 1.00 0.00 N ATOM 0 H HIS A 23 0.091 4.329 -16.447 1.00 0.00 H new ATOM 0 HA HIS A 23 0.495 1.972 -14.957 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.019 3.222 -13.613 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.258 3.563 -15.316 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.511 6.141 -15.867 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.275 7.757 -12.371 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.058 8.317 -14.536 1.00 0.00 H new ATOM 380 N ALA A 24 -1.701 4.049 -13.767 1.00 0.00 N ATOM 381 CA ALA A 24 -2.819 4.151 -12.827 1.00 0.00 C ATOM 382 C ALA A 24 -3.585 2.826 -12.743 1.00 0.00 C ATOM 383 O ALA A 24 -4.066 2.434 -11.677 1.00 0.00 O ATOM 384 CB ALA A 24 -3.762 5.256 -13.273 1.00 0.00 C ATOM 0 H ALA A 24 -1.713 4.751 -14.507 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.419 4.383 -11.840 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.593 5.330 -12.572 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.225 6.204 -13.300 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.145 5.028 -14.267 1.00 0.00 H new ATOM 390 N ASP A 25 -3.688 2.145 -13.879 1.00 0.00 N ATOM 391 CA ASP A 25 -4.355 0.847 -13.959 1.00 0.00 C ATOM 392 C ASP A 25 -3.527 -0.211 -13.248 1.00 0.00 C ATOM 393 O ASP A 25 -4.049 -1.026 -12.485 1.00 0.00 O ATOM 394 CB ASP A 25 -4.557 0.460 -15.425 1.00 0.00 C ATOM 395 CG ASP A 25 -5.168 -0.918 -15.602 1.00 0.00 C ATOM 396 OD1 ASP A 25 -6.400 -1.056 -15.436 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.418 -1.863 -15.930 1.00 0.00 O ATOM 0 H ASP A 25 -3.313 2.474 -14.769 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.327 0.915 -13.471 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.199 1.199 -15.904 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.596 0.493 -15.938 1.00 0.00 H new ATOM 402 N GLN A 26 -2.227 -0.175 -13.498 1.00 0.00 N ATOM 403 CA GLN A 26 -1.282 -1.062 -12.842 1.00 0.00 C ATOM 404 C GLN A 26 -1.339 -0.885 -11.328 1.00 0.00 C ATOM 405 O GLN A 26 -1.312 -1.864 -10.580 1.00 0.00 O ATOM 406 CB GLN A 26 0.127 -0.774 -13.350 1.00 0.00 C ATOM 407 CG GLN A 26 0.299 -1.007 -14.843 1.00 0.00 C ATOM 408 CD GLN A 26 1.639 -0.523 -15.361 1.00 0.00 C ATOM 409 OE1 GLN A 26 2.643 -0.518 -14.641 1.00 0.00 O ATOM 410 NE2 GLN A 26 1.663 -0.120 -16.620 1.00 0.00 N ATOM 0 H GLN A 26 -1.799 0.470 -14.162 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.548 -2.093 -13.076 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.382 0.261 -13.121 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.834 -1.403 -12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.195 -2.071 -15.055 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.500 -0.496 -15.381 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.810 -0.141 -17.179 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.535 0.212 -17.033 1.00 0.00 H new ATOM 419 N TRP A 27 -1.418 0.368 -10.887 1.00 0.00 N ATOM 420 CA TRP A 27 -1.585 0.685 -9.471 1.00 0.00 C ATOM 421 C TRP A 27 -2.803 -0.028 -8.895 1.00 0.00 C ATOM 422 O TRP A 27 -2.714 -0.712 -7.876 1.00 0.00 O ATOM 423 CB TRP A 27 -1.765 2.192 -9.285 1.00 0.00 C ATOM 424 CG TRP A 27 -0.489 2.953 -9.089 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.469 3.230 -10.025 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.048 3.558 -7.868 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.480 3.966 -9.453 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.185 4.181 -8.131 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.579 3.632 -6.578 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.895 4.871 -7.148 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.125 4.316 -5.604 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.350 4.927 -5.893 1.00 0.00 C ATOM 0 H TRP A 27 -1.369 1.186 -11.495 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.690 0.350 -8.947 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.282 2.593 -10.157 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.411 2.364 -8.424 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.436 2.918 -11.058 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.315 4.299 -9.935 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.524 3.163 -6.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.840 5.344 -7.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.277 4.380 -4.604 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.876 5.453 -5.111 1.00 0.00 H new ATOM 443 N THR A 28 -3.932 0.130 -9.571 1.00 0.00 N ATOM 444 CA THR A 28 -5.184 -0.448 -9.118 1.00 0.00 C ATOM 445 C THR A 28 -5.108 -1.974 -9.097 1.00 0.00 C ATOM 446 O THR A 28 -5.444 -2.610 -8.097 1.00 0.00 O ATOM 447 CB THR A 28 -6.348 0.000 -10.025 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.335 1.428 -10.165 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.691 -0.439 -9.455 1.00 0.00 C ATOM 0 H THR A 28 -4.004 0.658 -10.441 1.00 0.00 H new ATOM 0 HA THR A 28 -5.364 -0.093 -8.103 1.00 0.00 H new ATOM 0 HB THR A 28 -6.215 -0.470 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.622 1.689 -10.785 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.492 -0.109 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.713 -1.526 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.829 0.003 -8.468 1.00 0.00 H new ATOM 457 N ASN A 29 -4.632 -2.550 -10.194 1.00 0.00 N ATOM 458 CA ASN A 29 -4.585 -3.994 -10.354 1.00 0.00 C ATOM 459 C ASN A 29 -3.665 -4.663 -9.339 1.00 0.00 C ATOM 460 O ASN A 29 -4.033 -5.677 -8.743 1.00 0.00 O ATOM 461 CB ASN A 29 -4.151 -4.341 -11.776 1.00 0.00 C ATOM 462 CG ASN A 29 -5.323 -4.400 -12.736 1.00 0.00 C ATOM 463 OD1 ASN A 29 -6.436 -4.767 -12.353 1.00 0.00 O ATOM 464 ND2 ASN A 29 -5.085 -4.040 -13.984 1.00 0.00 N ATOM 0 H ASN A 29 -4.270 -2.030 -10.993 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.589 -4.378 -10.171 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.434 -3.598 -12.126 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.638 -5.303 -11.773 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.837 -4.059 -14.673 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.149 -3.743 -14.259 1.00 0.00 H new ATOM 471 N THR A 30 -2.481 -4.102 -9.132 1.00 0.00 N ATOM 472 CA THR A 30 -1.514 -4.695 -8.217 1.00 0.00 C ATOM 473 C THR A 30 -2.049 -4.728 -6.789 1.00 0.00 C ATOM 474 O THR A 30 -2.012 -5.769 -6.127 1.00 0.00 O ATOM 475 CB THR A 30 -0.166 -3.949 -8.251 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.377 -2.532 -8.174 1.00 0.00 O ATOM 477 CG2 THR A 30 0.605 -4.289 -9.515 1.00 0.00 C ATOM 0 H THR A 30 -2.168 -3.242 -9.582 1.00 0.00 H new ATOM 0 HA THR A 30 -1.350 -5.718 -8.554 1.00 0.00 H new ATOM 0 HB THR A 30 0.420 -4.268 -7.389 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.522 -2.173 -9.074 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.553 -3.752 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.796 -5.362 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.020 -3.998 -10.387 1.00 0.00 H new ATOM 485 N ILE A 31 -2.572 -3.598 -6.327 1.00 0.00 N ATOM 486 CA ILE A 31 -3.103 -3.502 -4.974 1.00 0.00 C ATOM 487 C ILE A 31 -4.330 -4.397 -4.810 1.00 0.00 C ATOM 488 O ILE A 31 -4.480 -5.082 -3.798 1.00 0.00 O ATOM 489 CB ILE A 31 -3.463 -2.046 -4.608 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.221 -1.155 -4.706 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.060 -1.973 -3.205 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.502 0.317 -4.489 1.00 0.00 C ATOM 0 H ILE A 31 -2.639 -2.737 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.321 -3.841 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.210 -1.687 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.489 -1.487 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.768 -1.287 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.306 -0.938 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.964 -2.580 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.336 -2.349 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.573 0.881 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.209 0.667 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.926 0.464 -3.496 1.00 0.00 H new ATOM 504 N LYS A 32 -5.190 -4.412 -5.823 1.00 0.00 N ATOM 505 CA LYS A 32 -6.399 -5.228 -5.793 1.00 0.00 C ATOM 506 C LYS A 32 -6.033 -6.712 -5.709 1.00 0.00 C ATOM 507 O LYS A 32 -6.726 -7.500 -5.067 1.00 0.00 O ATOM 508 CB LYS A 32 -7.249 -4.944 -7.042 1.00 0.00 C ATOM 509 CG LYS A 32 -8.740 -5.248 -6.894 1.00 0.00 C ATOM 510 CD LYS A 32 -9.023 -6.740 -6.855 1.00 0.00 C ATOM 511 CE LYS A 32 -10.511 -7.027 -6.730 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.263 -6.594 -7.937 1.00 0.00 N ATOM 0 H LYS A 32 -5.072 -3.867 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.984 -4.972 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.133 -3.894 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.855 -5.531 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.114 -4.786 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.284 -4.799 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.637 -7.207 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.494 -7.189 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.663 -8.095 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.907 -6.515 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.237 -6.956 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.282 -5.555 -7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.798 -6.968 -8.789 1.00 0.00 H new ATOM 526 N THR A 33 -4.927 -7.086 -6.330 1.00 0.00 N ATOM 527 CA THR A 33 -4.520 -8.481 -6.360 1.00 0.00 C ATOM 528 C THR A 33 -3.865 -8.896 -5.040 1.00 0.00 C ATOM 529 O THR A 33 -4.275 -9.874 -4.412 1.00 0.00 O ATOM 530 CB THR A 33 -3.549 -8.752 -7.529 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.150 -8.336 -8.764 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.195 -10.228 -7.615 1.00 0.00 C ATOM 0 H THR A 33 -4.298 -6.448 -6.817 1.00 0.00 H new ATOM 0 HA THR A 33 -5.421 -9.076 -6.506 1.00 0.00 H new ATOM 0 HB THR A 33 -2.635 -8.185 -7.350 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.013 -7.373 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.510 -10.390 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.719 -10.543 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.102 -10.811 -7.773 1.00 0.00 H new ATOM 540 N TYR A 34 -2.868 -8.132 -4.611 1.00 0.00 N ATOM 541 CA TYR A 34 -2.095 -8.486 -3.422 1.00 0.00 C ATOM 542 C TYR A 34 -2.821 -8.128 -2.125 1.00 0.00 C ATOM 543 O TYR A 34 -2.943 -8.956 -1.228 1.00 0.00 O ATOM 544 CB TYR A 34 -0.718 -7.817 -3.460 1.00 0.00 C ATOM 545 CG TYR A 34 0.180 -8.351 -4.554 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.656 -9.655 -4.508 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.548 -7.557 -5.633 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.474 -10.153 -5.501 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.368 -8.049 -6.632 1.00 0.00 C ATOM 550 CZ TYR A 34 1.827 -9.348 -6.561 1.00 0.00 C ATOM 551 OH TYR A 34 2.649 -9.841 -7.549 1.00 0.00 O ATOM 0 H TYR A 34 -2.575 -7.267 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.971 -9.569 -3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.848 -6.744 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.227 -7.957 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.381 -10.291 -3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.188 -6.540 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.836 -11.169 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.648 -7.419 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 34 2.801 -9.147 -8.224 1.00 0.00 H new ATOM 561 N CYS A 35 -3.313 -6.900 -2.032 1.00 0.00 N ATOM 562 CA CYS A 35 -3.897 -6.411 -0.786 1.00 0.00 C ATOM 563 C CYS A 35 -5.416 -6.557 -0.786 1.00 0.00 C ATOM 564 O CYS A 35 -6.061 -6.379 0.250 1.00 0.00 O ATOM 565 CB CYS A 35 -3.518 -4.945 -0.570 1.00 0.00 C ATOM 566 SG CYS A 35 -1.739 -4.639 -0.638 1.00 0.00 S ATOM 0 H CYS A 35 -3.321 -6.226 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.499 -7.015 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.012 -4.336 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.897 -4.620 0.399 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.516 -3.506 -1.234 1.00 0.00 H new ATOM 572 N GLY A 36 -5.972 -6.894 -1.947 1.00 0.00 N ATOM 573 CA GLY A 36 -7.417 -6.975 -2.109 1.00 0.00 C ATOM 574 C GLY A 36 -8.099 -7.896 -1.111 1.00 0.00 C ATOM 575 O GLY A 36 -8.800 -7.420 -0.221 1.00 0.00 O ATOM 0 H GLY A 36 -5.441 -7.115 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.840 -5.975 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.641 -7.320 -3.118 1.00 0.00 H new ATOM 579 N PRO A 37 -7.912 -9.221 -1.222 1.00 0.00 N ATOM 580 CA PRO A 37 -8.574 -10.194 -0.340 1.00 0.00 C ATOM 581 C PRO A 37 -8.117 -10.086 1.111 1.00 0.00 C ATOM 582 O PRO A 37 -8.739 -10.651 2.012 1.00 0.00 O ATOM 583 CB PRO A 37 -8.167 -11.557 -0.918 1.00 0.00 C ATOM 584 CG PRO A 37 -7.655 -11.265 -2.286 1.00 0.00 C ATOM 585 CD PRO A 37 -7.068 -9.886 -2.222 1.00 0.00 C ATOM 0 HA PRO A 37 -9.651 -10.029 -0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.402 -12.032 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.016 -12.239 -0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.903 -11.995 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.458 -11.314 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.021 -9.905 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.111 -9.382 -3.188 1.00 0.00 H new ATOM 593 N VAL A 38 -7.040 -9.353 1.337 1.00 0.00 N ATOM 594 CA VAL A 38 -6.472 -9.238 2.669 1.00 0.00 C ATOM 595 C VAL A 38 -7.092 -8.066 3.429 1.00 0.00 C ATOM 596 O VAL A 38 -7.874 -8.267 4.356 1.00 0.00 O ATOM 597 CB VAL A 38 -4.938 -9.070 2.622 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.351 -9.085 4.029 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.298 -10.157 1.764 1.00 0.00 C ATOM 0 H VAL A 38 -6.542 -8.830 0.617 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.701 -10.166 3.193 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.718 -8.104 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.269 -8.965 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.777 -8.267 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.587 -10.034 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.217 -10.017 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.531 -11.136 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.688 -10.096 0.748 1.00 0.00 H new ATOM 609 N ILE A 39 -6.764 -6.846 3.015 1.00 0.00 N ATOM 610 CA ILE A 39 -7.202 -5.655 3.740 1.00 0.00 C ATOM 611 C ILE A 39 -8.134 -4.791 2.897 1.00 0.00 C ATOM 612 O ILE A 39 -8.575 -3.737 3.347 1.00 0.00 O ATOM 613 CB ILE A 39 -5.998 -4.800 4.197 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.113 -4.442 2.996 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.195 -5.539 5.258 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.944 -3.546 3.343 1.00 0.00 C ATOM 0 H ILE A 39 -6.200 -6.655 2.187 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.746 -6.009 4.616 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.372 -3.875 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.734 -5.361 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.725 -3.949 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.351 -4.924 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.831 -5.744 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.827 -6.479 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.366 -3.337 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.315 -2.610 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.308 -4.044 4.075 1.00 0.00 H new ATOM 628 N GLY A 40 -8.438 -5.252 1.690 1.00 0.00 N ATOM 629 CA GLY A 40 -9.275 -4.489 0.770 1.00 0.00 C ATOM 630 C GLY A 40 -10.621 -4.096 1.360 1.00 0.00 C ATOM 631 O GLY A 40 -10.901 -2.907 1.519 1.00 0.00 O ATOM 0 H GLY A 40 -8.118 -6.149 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.742 -3.587 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.440 -5.078 -0.132 1.00 0.00 H new ATOM 635 N PRO A 41 -11.491 -5.071 1.684 1.00 0.00 N ATOM 636 CA PRO A 41 -12.820 -4.796 2.227 1.00 0.00 C ATOM 637 C PRO A 41 -12.795 -4.448 3.716 1.00 0.00 C ATOM 638 O PRO A 41 -13.843 -4.297 4.343 1.00 0.00 O ATOM 639 CB PRO A 41 -13.596 -6.105 1.995 1.00 0.00 C ATOM 640 CG PRO A 41 -12.664 -7.017 1.259 1.00 0.00 C ATOM 641 CD PRO A 41 -11.275 -6.513 1.527 1.00 0.00 C ATOM 0 HA PRO A 41 -13.271 -3.929 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.906 -6.547 2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.501 -5.924 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.776 -8.046 1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.879 -7.012 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.846 -6.960 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.596 -6.735 0.704 1.00 0.00 H new ATOM 649 N LEU A 42 -11.599 -4.336 4.277 1.00 0.00 N ATOM 650 CA LEU A 42 -11.442 -3.926 5.665 1.00 0.00 C ATOM 651 C LEU A 42 -11.381 -2.411 5.743 1.00 0.00 C ATOM 652 O LEU A 42 -11.029 -1.748 4.766 1.00 0.00 O ATOM 653 CB LEU A 42 -10.174 -4.532 6.276 1.00 0.00 C ATOM 654 CG LEU A 42 -10.174 -6.056 6.402 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.883 -6.534 7.048 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.377 -6.524 7.207 1.00 0.00 C ATOM 0 H LEU A 42 -10.722 -4.524 3.791 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.299 -4.288 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.319 -4.234 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.026 -4.102 7.267 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.241 -6.486 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.898 -7.621 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.035 -6.229 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.789 -6.096 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.361 -7.611 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.340 -6.086 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.294 -6.210 6.707 1.00 0.00 H new ATOM 668 N SER A 43 -11.756 -1.870 6.889 1.00 0.00 N ATOM 669 CA SER A 43 -11.699 -0.452 7.126 1.00 0.00 C ATOM 670 C SER A 43 -10.270 0.070 6.995 1.00 0.00 C ATOM 671 O SER A 43 -9.316 -0.598 7.390 1.00 0.00 O ATOM 672 CB SER A 43 -12.226 -0.184 8.524 1.00 0.00 C ATOM 673 OG SER A 43 -13.133 -1.197 8.927 1.00 0.00 O ATOM 0 H SER A 43 -12.109 -2.410 7.679 1.00 0.00 H new ATOM 0 HA SER A 43 -12.307 0.065 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.394 -0.135 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.723 0.786 8.550 1.00 0.00 H new ATOM 0 HG SER A 43 -12.916 -1.487 9.838 1.00 0.00 H new ATOM 679 N VAL A 44 -10.130 1.274 6.457 1.00 0.00 N ATOM 680 CA VAL A 44 -8.817 1.892 6.304 1.00 0.00 C ATOM 681 C VAL A 44 -8.214 2.192 7.677 1.00 0.00 C ATOM 682 O VAL A 44 -6.997 2.309 7.827 1.00 0.00 O ATOM 683 CB VAL A 44 -8.892 3.188 5.456 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.711 4.259 6.159 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.502 3.704 5.115 1.00 0.00 C ATOM 0 H VAL A 44 -10.907 1.842 6.119 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.175 1.187 5.776 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.396 2.941 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.745 5.156 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.724 3.893 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.251 4.498 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.587 4.613 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.959 3.922 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.962 2.947 4.546 1.00 0.00 H new ATOM 695 N GLN A 45 -9.082 2.293 8.677 1.00 0.00 N ATOM 696 CA GLN A 45 -8.665 2.515 10.054 1.00 0.00 C ATOM 697 C GLN A 45 -8.298 1.183 10.713 1.00 0.00 C ATOM 698 O GLN A 45 -7.579 1.141 11.711 1.00 0.00 O ATOM 699 CB GLN A 45 -9.796 3.194 10.833 1.00 0.00 C ATOM 700 CG GLN A 45 -9.385 3.705 12.204 1.00 0.00 C ATOM 701 CD GLN A 45 -8.569 4.979 12.132 1.00 0.00 C ATOM 702 OE1 GLN A 45 -7.342 4.949 12.036 1.00 0.00 O ATOM 703 NE2 GLN A 45 -9.250 6.113 12.171 1.00 0.00 N ATOM 0 H GLN A 45 -10.092 2.223 8.555 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.788 3.162 10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.177 4.029 10.245 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.617 2.487 10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.278 3.883 12.803 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.806 2.936 12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.267 6.095 12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.758 7.005 12.121 1.00 0.00 H new ATOM 712 N ASP A 46 -8.786 0.094 10.128 1.00 0.00 N ATOM 713 CA ASP A 46 -8.545 -1.246 10.657 1.00 0.00 C ATOM 714 C ASP A 46 -7.174 -1.756 10.244 1.00 0.00 C ATOM 715 O ASP A 46 -6.593 -2.605 10.918 1.00 0.00 O ATOM 716 CB ASP A 46 -9.616 -2.225 10.171 1.00 0.00 C ATOM 717 CG ASP A 46 -10.676 -2.506 11.217 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.383 -3.238 12.186 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.808 -2.001 11.074 1.00 0.00 O ATOM 0 H ASP A 46 -9.355 0.113 9.281 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.587 -1.180 11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.092 -1.821 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.140 -3.162 9.882 1.00 0.00 H new ATOM 724 N VAL A 47 -6.675 -1.244 9.125 1.00 0.00 N ATOM 725 CA VAL A 47 -5.366 -1.633 8.621 1.00 0.00 C ATOM 726 C VAL A 47 -4.278 -1.216 9.603 1.00 0.00 C ATOM 727 O VAL A 47 -4.021 -0.020 9.792 1.00 0.00 O ATOM 728 CB VAL A 47 -5.079 -1.007 7.239 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.730 -1.471 6.705 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.189 -1.347 6.257 1.00 0.00 C ATOM 0 H VAL A 47 -7.160 -0.556 8.549 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.367 -2.717 8.511 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.044 0.076 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.549 -1.017 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.942 -1.172 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.732 -2.556 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.969 -0.897 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.258 -2.429 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.137 -0.959 6.630 1.00 0.00 H new ATOM 740 N ASP A 48 -3.665 -2.200 10.242 1.00 0.00 N ATOM 741 CA ASP A 48 -2.627 -1.942 11.226 1.00 0.00 C ATOM 742 C ASP A 48 -1.332 -2.634 10.831 1.00 0.00 C ATOM 743 O ASP A 48 -1.243 -3.248 9.766 1.00 0.00 O ATOM 744 CB ASP A 48 -3.061 -2.427 12.610 1.00 0.00 C ATOM 745 CG ASP A 48 -2.861 -3.920 12.800 1.00 0.00 C ATOM 746 OD1 ASP A 48 -3.278 -4.710 11.930 1.00 0.00 O ATOM 747 OD2 ASP A 48 -2.266 -4.311 13.824 1.00 0.00 O ATOM 0 H ASP A 48 -3.870 -3.188 10.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.461 -0.865 11.262 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.496 -1.890 13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.113 -2.184 12.762 1.00 0.00 H new ATOM 752 N THR A 49 -0.344 -2.548 11.709 1.00 0.00 N ATOM 753 CA THR A 49 0.972 -3.103 11.447 1.00 0.00 C ATOM 754 C THR A 49 0.919 -4.623 11.263 1.00 0.00 C ATOM 755 O THR A 49 1.593 -5.171 10.388 1.00 0.00 O ATOM 756 CB THR A 49 1.940 -2.760 12.595 1.00 0.00 C ATOM 757 OG1 THR A 49 1.754 -1.392 12.982 1.00 0.00 O ATOM 758 CG2 THR A 49 3.385 -2.975 12.171 1.00 0.00 C ATOM 0 H THR A 49 -0.433 -2.094 12.618 1.00 0.00 H new ATOM 0 HA THR A 49 1.332 -2.657 10.520 1.00 0.00 H new ATOM 0 HB THR A 49 1.726 -3.419 13.437 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.368 -1.173 13.714 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.048 -2.726 12.999 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.531 -4.018 11.891 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.613 -2.335 11.319 1.00 0.00 H new ATOM 766 N LYS A 50 0.097 -5.295 12.072 1.00 0.00 N ATOM 767 CA LYS A 50 0.010 -6.751 12.043 1.00 0.00 C ATOM 768 C LYS A 50 -0.522 -7.225 10.692 1.00 0.00 C ATOM 769 O LYS A 50 0.015 -8.163 10.097 1.00 0.00 O ATOM 770 CB LYS A 50 -0.888 -7.245 13.186 1.00 0.00 C ATOM 771 CG LYS A 50 -0.677 -8.705 13.569 1.00 0.00 C ATOM 772 CD LYS A 50 -1.364 -9.677 12.616 1.00 0.00 C ATOM 773 CE LYS A 50 -2.793 -9.989 13.045 1.00 0.00 C ATOM 774 NZ LYS A 50 -3.705 -8.820 12.922 1.00 0.00 N ATOM 0 H LYS A 50 -0.517 -4.851 12.755 1.00 0.00 H new ATOM 0 HA LYS A 50 1.007 -7.169 12.180 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.712 -6.623 14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.930 -7.105 12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.392 -8.919 13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.053 -8.868 14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.372 -9.254 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.790 -10.603 12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.178 -10.809 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.789 -10.333 14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.692 -9.146 12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.539 -8.165 13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.522 -8.330 12.023 1.00 0.00 H new ATOM 788 N LEU A 51 -1.569 -6.569 10.210 1.00 0.00 N ATOM 789 CA LEU A 51 -2.140 -6.895 8.916 1.00 0.00 C ATOM 790 C LEU A 51 -1.133 -6.637 7.799 1.00 0.00 C ATOM 791 O LEU A 51 -1.004 -7.434 6.869 1.00 0.00 O ATOM 792 CB LEU A 51 -3.408 -6.079 8.675 1.00 0.00 C ATOM 793 CG LEU A 51 -4.585 -6.420 9.585 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.774 -5.536 9.264 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.963 -7.884 9.443 1.00 0.00 C ATOM 0 H LEU A 51 -2.039 -5.807 10.699 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.395 -7.955 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.169 -5.023 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.718 -6.218 7.639 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.285 -6.240 10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.605 -5.791 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.501 -4.491 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.072 -5.689 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.804 -8.108 10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.245 -8.089 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.112 -8.508 9.717 1.00 0.00 H new ATOM 807 N ILE A 52 -0.415 -5.527 7.911 1.00 0.00 N ATOM 808 CA ILE A 52 0.583 -5.145 6.920 1.00 0.00 C ATOM 809 C ILE A 52 1.695 -6.188 6.812 1.00 0.00 C ATOM 810 O ILE A 52 2.143 -6.515 5.710 1.00 0.00 O ATOM 811 CB ILE A 52 1.181 -3.759 7.255 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.117 -2.672 7.076 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.399 -3.464 6.390 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.579 -1.290 7.484 1.00 0.00 C ATOM 0 H ILE A 52 -0.507 -4.870 8.686 1.00 0.00 H new ATOM 0 HA ILE A 52 0.081 -5.089 5.954 1.00 0.00 H new ATOM 0 HB ILE A 52 1.506 -3.767 8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.191 -2.648 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.763 -2.938 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.799 -2.483 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.161 -4.224 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.110 -3.474 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.229 -0.575 7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.860 -1.296 8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.440 -1.001 6.881 1.00 0.00 H new ATOM 826 N MET A 53 2.129 -6.715 7.950 1.00 0.00 N ATOM 827 CA MET A 53 3.166 -7.743 7.965 1.00 0.00 C ATOM 828 C MET A 53 2.710 -8.985 7.203 1.00 0.00 C ATOM 829 O MET A 53 3.488 -9.596 6.475 1.00 0.00 O ATOM 830 CB MET A 53 3.529 -8.126 9.402 1.00 0.00 C ATOM 831 CG MET A 53 4.198 -7.009 10.194 1.00 0.00 C ATOM 832 SD MET A 53 4.583 -7.493 11.891 1.00 0.00 S ATOM 833 CE MET A 53 5.467 -6.042 12.462 1.00 0.00 C ATOM 0 H MET A 53 1.782 -6.450 8.872 1.00 0.00 H new ATOM 0 HA MET A 53 4.048 -7.332 7.474 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.623 -8.435 9.924 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.194 -8.989 9.380 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.116 -6.710 9.688 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.544 -6.137 10.209 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.502 -6.308 12.678 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.443 -5.274 11.689 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.994 -5.661 13.367 1.00 0.00 H new ATOM 843 N LYS A 54 1.440 -9.339 7.361 1.00 0.00 N ATOM 844 CA LYS A 54 0.887 -10.506 6.692 1.00 0.00 C ATOM 845 C LYS A 54 0.790 -10.288 5.186 1.00 0.00 C ATOM 846 O LYS A 54 1.024 -11.210 4.412 1.00 0.00 O ATOM 847 CB LYS A 54 -0.478 -10.874 7.285 1.00 0.00 C ATOM 848 CG LYS A 54 -0.407 -11.485 8.683 1.00 0.00 C ATOM 849 CD LYS A 54 0.118 -12.921 8.660 1.00 0.00 C ATOM 850 CE LYS A 54 1.611 -12.992 8.364 1.00 0.00 C ATOM 851 NZ LYS A 54 2.106 -14.391 8.257 1.00 0.00 N ATOM 0 H LYS A 54 0.775 -8.833 7.947 1.00 0.00 H new ATOM 0 HA LYS A 54 1.567 -11.342 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.099 -9.979 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.974 -11.578 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.240 -10.874 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.399 -11.470 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.081 -13.393 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.426 -13.491 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.819 -12.465 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.159 -12.476 9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.137 -14.385 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.873 -14.909 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.654 -14.858 7.445 1.00 0.00 H new ATOM 865 N VAL A 55 0.444 -9.070 4.777 1.00 0.00 N ATOM 866 CA VAL A 55 0.390 -8.727 3.358 1.00 0.00 C ATOM 867 C VAL A 55 1.749 -8.960 2.695 1.00 0.00 C ATOM 868 O VAL A 55 1.830 -9.485 1.587 1.00 0.00 O ATOM 869 CB VAL A 55 -0.035 -7.254 3.142 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.026 -6.893 1.662 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.408 -6.999 3.739 1.00 0.00 C ATOM 0 H VAL A 55 0.197 -8.306 5.406 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.357 -9.375 2.900 1.00 0.00 H new ATOM 0 HB VAL A 55 0.690 -6.619 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.328 -5.853 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.978 -7.029 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.721 -7.539 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.688 -5.958 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.139 -7.650 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.383 -7.205 4.809 1.00 0.00 H new ATOM 881 N LEU A 56 2.810 -8.591 3.401 1.00 0.00 N ATOM 882 CA LEU A 56 4.170 -8.707 2.879 1.00 0.00 C ATOM 883 C LEU A 56 4.705 -10.133 2.983 1.00 0.00 C ATOM 884 O LEU A 56 5.586 -10.520 2.216 1.00 0.00 O ATOM 885 CB LEU A 56 5.100 -7.749 3.629 1.00 0.00 C ATOM 886 CG LEU A 56 4.925 -6.270 3.288 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.958 -5.435 4.026 1.00 0.00 C ATOM 888 CD2 LEU A 56 5.028 -6.048 1.786 1.00 0.00 C ATOM 0 H LEU A 56 2.756 -8.206 4.344 1.00 0.00 H new ATOM 0 HA LEU A 56 4.139 -8.442 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.942 -7.879 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.132 -8.033 3.422 1.00 0.00 H new ATOM 0 HG LEU A 56 3.932 -5.956 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.823 -4.383 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.835 -5.570 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.959 -5.752 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.900 -4.988 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.007 -6.376 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.251 -6.620 1.279 1.00 0.00 H new ATOM 900 N ASP A 57 4.154 -10.899 3.920 1.00 0.00 N ATOM 901 CA ASP A 57 4.659 -12.239 4.264 1.00 0.00 C ATOM 902 C ASP A 57 4.978 -13.105 3.031 1.00 0.00 C ATOM 903 O ASP A 57 6.123 -13.535 2.861 1.00 0.00 O ATOM 904 CB ASP A 57 3.652 -12.964 5.161 1.00 0.00 C ATOM 905 CG ASP A 57 4.248 -14.146 5.900 1.00 0.00 C ATOM 906 OD1 ASP A 57 4.371 -15.231 5.297 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.558 -14.004 7.103 1.00 0.00 O ATOM 0 H ASP A 57 3.342 -10.614 4.468 1.00 0.00 H new ATOM 0 HA ASP A 57 5.599 -12.090 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.248 -12.258 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.816 -13.309 4.552 1.00 0.00 H new ATOM 912 N PRO A 58 3.992 -13.379 2.146 1.00 0.00 N ATOM 913 CA PRO A 58 4.210 -14.245 0.980 1.00 0.00 C ATOM 914 C PRO A 58 4.998 -13.559 -0.137 1.00 0.00 C ATOM 915 O PRO A 58 5.627 -14.220 -0.966 1.00 0.00 O ATOM 916 CB PRO A 58 2.786 -14.549 0.509 1.00 0.00 C ATOM 917 CG PRO A 58 2.008 -13.341 0.894 1.00 0.00 C ATOM 918 CD PRO A 58 2.597 -12.881 2.198 1.00 0.00 C ATOM 0 HA PRO A 58 4.801 -15.125 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.750 -14.719 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.391 -15.446 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.087 -12.565 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.949 -13.575 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.562 -11.796 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.056 -13.293 3.050 1.00 0.00 H new ATOM 926 N ILE A 59 4.989 -12.232 -0.140 1.00 0.00 N ATOM 927 CA ILE A 59 5.546 -11.468 -1.249 1.00 0.00 C ATOM 928 C ILE A 59 7.068 -11.574 -1.294 1.00 0.00 C ATOM 929 O ILE A 59 7.665 -11.508 -2.366 1.00 0.00 O ATOM 930 CB ILE A 59 5.137 -9.983 -1.168 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.639 -9.857 -0.869 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.479 -9.261 -2.467 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.749 -10.501 -1.909 1.00 0.00 C ATOM 0 H ILE A 59 4.602 -11.663 0.613 1.00 0.00 H new ATOM 0 HA ILE A 59 5.138 -11.899 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 59 5.695 -9.517 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.433 -10.309 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.382 -8.801 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.183 -8.215 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.553 -9.322 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.946 -9.729 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.705 -10.369 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.924 -10.033 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.976 -11.565 -1.973 1.00 0.00 H new ATOM 945 N TRP A 60 7.689 -11.765 -0.135 1.00 0.00 N ATOM 946 CA TRP A 60 9.147 -11.867 -0.053 1.00 0.00 C ATOM 947 C TRP A 60 9.669 -13.079 -0.822 1.00 0.00 C ATOM 948 O TRP A 60 10.785 -13.061 -1.337 1.00 0.00 O ATOM 949 CB TRP A 60 9.607 -11.943 1.409 1.00 0.00 C ATOM 950 CG TRP A 60 9.319 -10.704 2.201 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.434 -10.579 3.232 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.916 -9.414 2.030 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.448 -9.294 3.714 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.349 -8.558 2.992 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.878 -8.899 1.155 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.712 -7.220 3.103 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.237 -7.570 1.267 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.655 -6.743 2.235 1.00 0.00 C ATOM 0 H TRP A 60 7.209 -11.853 0.761 1.00 0.00 H new ATOM 0 HA TRP A 60 9.559 -10.968 -0.510 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.119 -12.791 1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.679 -12.137 1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.813 -11.376 3.613 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.879 -8.944 4.485 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.332 -9.529 0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.265 -6.580 3.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.979 -7.162 0.597 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.957 -5.708 2.298 1.00 0.00 H new ATOM 969 N GLU A 61 8.856 -14.120 -0.916 1.00 0.00 N ATOM 970 CA GLU A 61 9.255 -15.335 -1.588 1.00 0.00 C ATOM 971 C GLU A 61 9.112 -15.207 -3.100 1.00 0.00 C ATOM 972 O GLU A 61 9.749 -15.933 -3.859 1.00 0.00 O ATOM 973 CB GLU A 61 8.397 -16.482 -1.087 1.00 0.00 C ATOM 974 CG GLU A 61 8.695 -16.898 0.344 1.00 0.00 C ATOM 975 CD GLU A 61 10.153 -17.263 0.557 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.613 -18.267 -0.016 1.00 0.00 O ATOM 977 OE2 GLU A 61 10.850 -16.536 1.297 1.00 0.00 O ATOM 0 H GLU A 61 7.912 -14.142 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 61 10.305 -15.525 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.348 -16.196 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.540 -17.342 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.426 -16.084 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.069 -17.750 0.608 1.00 0.00 H new ATOM 984 N GLN A 62 8.261 -14.290 -3.528 1.00 0.00 N ATOM 985 CA GLN A 62 8.011 -14.084 -4.943 1.00 0.00 C ATOM 986 C GLN A 62 8.783 -12.886 -5.488 1.00 0.00 C ATOM 987 O GLN A 62 9.609 -13.032 -6.394 1.00 0.00 O ATOM 988 CB GLN A 62 6.513 -13.904 -5.192 1.00 0.00 C ATOM 989 CG GLN A 62 5.735 -15.208 -5.153 1.00 0.00 C ATOM 990 CD GLN A 62 6.199 -16.179 -6.221 1.00 0.00 C ATOM 991 OE1 GLN A 62 6.647 -15.775 -7.296 1.00 0.00 O ATOM 992 NE2 GLN A 62 6.105 -17.465 -5.935 1.00 0.00 N ATOM 0 H GLN A 62 7.730 -13.674 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 62 8.362 -14.970 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.107 -13.224 -4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.368 -13.432 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.848 -15.668 -4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.673 -15.001 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.729 -17.761 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.409 -18.162 -6.615 1.00 0.00 H new ATOM 1001 N LYS A 63 8.523 -11.710 -4.933 1.00 0.00 N ATOM 1002 CA LYS A 63 9.106 -10.474 -5.441 1.00 0.00 C ATOM 1003 C LYS A 63 9.445 -9.523 -4.295 1.00 0.00 C ATOM 1004 O LYS A 63 8.643 -8.657 -3.942 1.00 0.00 O ATOM 1005 CB LYS A 63 8.142 -9.780 -6.412 1.00 0.00 C ATOM 1006 CG LYS A 63 7.772 -10.613 -7.629 1.00 0.00 C ATOM 1007 CD LYS A 63 6.792 -9.881 -8.531 1.00 0.00 C ATOM 1008 CE LYS A 63 6.411 -10.721 -9.738 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.589 -11.056 -10.582 1.00 0.00 N ATOM 0 H LYS A 63 7.910 -11.585 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 63 10.023 -10.732 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.230 -9.518 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.593 -8.847 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.673 -10.856 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.334 -11.557 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.895 -9.627 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.235 -8.942 -8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.933 -11.641 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.678 -10.181 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.265 -11.433 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.156 -10.199 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.170 -11.770 -10.099 1.00 0.00 H new ATOM 1023 N PRO A 64 10.633 -9.679 -3.691 1.00 0.00 N ATOM 1024 CA PRO A 64 11.076 -8.820 -2.584 1.00 0.00 C ATOM 1025 C PRO A 64 11.177 -7.355 -2.997 1.00 0.00 C ATOM 1026 O PRO A 64 10.857 -6.448 -2.221 1.00 0.00 O ATOM 1027 CB PRO A 64 12.462 -9.368 -2.223 1.00 0.00 C ATOM 1028 CG PRO A 64 12.509 -10.739 -2.805 1.00 0.00 C ATOM 1029 CD PRO A 64 11.632 -10.708 -4.024 1.00 0.00 C ATOM 0 HA PRO A 64 10.371 -8.839 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.252 -8.739 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.605 -9.395 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.530 -11.016 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.153 -11.479 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.196 -10.447 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.167 -11.676 -4.211 1.00 0.00 H new ATOM 1037 N GLU A 65 11.610 -7.133 -4.230 1.00 0.00 N ATOM 1038 CA GLU A 65 11.747 -5.790 -4.772 1.00 0.00 C ATOM 1039 C GLU A 65 10.373 -5.126 -4.857 1.00 0.00 C ATOM 1040 O GLU A 65 10.191 -3.981 -4.447 1.00 0.00 O ATOM 1041 CB GLU A 65 12.396 -5.869 -6.159 1.00 0.00 C ATOM 1042 CG GLU A 65 13.350 -4.725 -6.472 1.00 0.00 C ATOM 1043 CD GLU A 65 12.673 -3.371 -6.513 1.00 0.00 C ATOM 1044 OE1 GLU A 65 11.934 -3.102 -7.485 1.00 0.00 O ATOM 1045 OE2 GLU A 65 12.896 -2.565 -5.590 1.00 0.00 O ATOM 0 H GLU A 65 11.875 -7.874 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 65 12.380 -5.190 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.938 -6.811 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.610 -5.888 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.140 -4.705 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.828 -4.913 -7.433 1.00 0.00 H new ATOM 1052 N THR A 66 9.401 -5.882 -5.344 1.00 0.00 N ATOM 1053 CA THR A 66 8.052 -5.374 -5.531 1.00 0.00 C ATOM 1054 C THR A 66 7.360 -5.168 -4.186 1.00 0.00 C ATOM 1055 O THR A 66 6.549 -4.256 -4.029 1.00 0.00 O ATOM 1056 CB THR A 66 7.232 -6.329 -6.418 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.958 -6.587 -7.631 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.869 -5.742 -6.753 1.00 0.00 C ATOM 0 H THR A 66 9.524 -6.857 -5.618 1.00 0.00 H new ATOM 0 HA THR A 66 8.119 -4.409 -6.033 1.00 0.00 H new ATOM 0 HB THR A 66 7.073 -7.257 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.326 -6.761 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.316 -6.441 -7.380 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.314 -5.563 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.999 -4.801 -7.287 1.00 0.00 H new ATOM 1066 N ALA A 67 7.698 -6.010 -3.216 1.00 0.00 N ATOM 1067 CA ALA A 67 7.190 -5.853 -1.856 1.00 0.00 C ATOM 1068 C ALA A 67 7.596 -4.495 -1.292 1.00 0.00 C ATOM 1069 O ALA A 67 6.814 -3.829 -0.611 1.00 0.00 O ATOM 1070 CB ALA A 67 7.704 -6.970 -0.959 1.00 0.00 C ATOM 0 H ALA A 67 8.321 -6.808 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 67 6.102 -5.909 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.314 -6.835 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.373 -7.932 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.793 -6.944 -0.934 1.00 0.00 H new ATOM 1076 N SER A 68 8.824 -4.089 -1.597 1.00 0.00 N ATOM 1077 CA SER A 68 9.341 -2.800 -1.162 1.00 0.00 C ATOM 1078 C SER A 68 8.610 -1.657 -1.874 1.00 0.00 C ATOM 1079 O SER A 68 8.336 -0.613 -1.281 1.00 0.00 O ATOM 1080 CB SER A 68 10.847 -2.725 -1.433 1.00 0.00 C ATOM 1081 OG SER A 68 11.534 -3.798 -0.799 1.00 0.00 O ATOM 0 H SER A 68 9.483 -4.640 -2.148 1.00 0.00 H new ATOM 0 HA SER A 68 9.169 -2.697 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.029 -2.757 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.238 -1.774 -1.071 1.00 0.00 H new ATOM 0 HG SER A 68 11.316 -4.639 -1.252 1.00 0.00 H new ATOM 1087 N ARG A 69 8.278 -1.875 -3.145 1.00 0.00 N ATOM 1088 CA ARG A 69 7.560 -0.887 -3.931 1.00 0.00 C ATOM 1089 C ARG A 69 6.128 -0.731 -3.427 1.00 0.00 C ATOM 1090 O ARG A 69 5.630 0.384 -3.260 1.00 0.00 O ATOM 1091 CB ARG A 69 7.545 -1.303 -5.399 1.00 0.00 C ATOM 1092 CG ARG A 69 8.924 -1.540 -5.986 1.00 0.00 C ATOM 1093 CD ARG A 69 8.865 -1.662 -7.497 1.00 0.00 C ATOM 1094 NE ARG A 69 8.573 -0.381 -8.135 1.00 0.00 N ATOM 1095 CZ ARG A 69 7.995 -0.254 -9.326 1.00 0.00 C ATOM 1096 NH1 ARG A 69 7.570 -1.328 -9.979 1.00 0.00 N ATOM 1097 NH2 ARG A 69 7.819 0.951 -9.848 1.00 0.00 N ATOM 0 H ARG A 69 8.498 -2.733 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 69 8.071 0.070 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.956 -2.214 -5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.042 -0.530 -5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.585 -0.718 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.351 -2.449 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.816 -2.044 -7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.100 -2.388 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 69 8.829 0.471 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.686 -2.254 -9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.127 -1.227 -10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.127 1.778 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.376 1.051 -10.761 1.00 0.00 H new ATOM 1111 N LEU A 70 5.472 -1.862 -3.181 1.00 0.00 N ATOM 1112 CA LEU A 70 4.099 -1.871 -2.687 1.00 0.00 C ATOM 1113 C LEU A 70 4.024 -1.191 -1.323 1.00 0.00 C ATOM 1114 O LEU A 70 3.040 -0.521 -1.000 1.00 0.00 O ATOM 1115 CB LEU A 70 3.582 -3.311 -2.598 1.00 0.00 C ATOM 1116 CG LEU A 70 2.105 -3.456 -2.229 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.219 -2.810 -3.284 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.751 -4.925 -2.062 1.00 0.00 C ATOM 0 H LEU A 70 5.873 -2.790 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 70 3.469 -1.317 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.749 -3.799 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.178 -3.848 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 70 1.932 -2.943 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.173 -2.925 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.459 -1.750 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.389 -3.292 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.697 -5.018 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.940 -5.453 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.362 -5.359 -1.270 1.00 0.00 H new ATOM 1130 N ARG A 71 5.083 -1.359 -0.537 1.00 0.00 N ATOM 1131 CA ARG A 71 5.190 -0.728 0.771 1.00 0.00 C ATOM 1132 C ARG A 71 5.022 0.786 0.648 1.00 0.00 C ATOM 1133 O ARG A 71 4.230 1.393 1.375 1.00 0.00 O ATOM 1134 CB ARG A 71 6.545 -1.062 1.400 1.00 0.00 C ATOM 1135 CG ARG A 71 6.704 -0.601 2.845 1.00 0.00 C ATOM 1136 CD ARG A 71 5.789 -1.364 3.793 1.00 0.00 C ATOM 1137 NE ARG A 71 4.389 -0.958 3.666 1.00 0.00 N ATOM 1138 CZ ARG A 71 3.383 -1.805 3.470 1.00 0.00 C ATOM 1139 NH1 ARG A 71 3.622 -3.103 3.329 1.00 0.00 N ATOM 1140 NH2 ARG A 71 2.138 -1.354 3.408 1.00 0.00 N ATOM 0 H ARG A 71 5.887 -1.934 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 71 4.397 -1.111 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.694 -2.141 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.332 -0.607 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.740 -0.735 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.486 0.465 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.874 -2.432 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.119 -1.204 4.819 1.00 0.00 H new ATOM 0 HE ARG A 71 4.171 0.036 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.579 -3.453 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.848 -3.751 3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.951 -0.357 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.367 -2.004 3.258 1.00 0.00 H new ATOM 1154 N GLY A 72 5.750 1.376 -0.295 1.00 0.00 N ATOM 1155 CA GLY A 72 5.686 2.811 -0.503 1.00 0.00 C ATOM 1156 C GLY A 72 4.359 3.259 -1.079 1.00 0.00 C ATOM 1157 O GLY A 72 3.868 4.346 -0.758 1.00 0.00 O ATOM 0 H GLY A 72 6.386 0.883 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.856 3.320 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.490 3.113 -1.175 1.00 0.00 H new ATOM 1161 N ARG A 73 3.775 2.426 -1.933 1.00 0.00 N ATOM 1162 CA ARG A 73 2.491 2.745 -2.546 1.00 0.00 C ATOM 1163 C ARG A 73 1.392 2.822 -1.490 1.00 0.00 C ATOM 1164 O ARG A 73 0.596 3.759 -1.482 1.00 0.00 O ATOM 1165 CB ARG A 73 2.124 1.723 -3.632 1.00 0.00 C ATOM 1166 CG ARG A 73 3.097 1.707 -4.805 1.00 0.00 C ATOM 1167 CD ARG A 73 2.583 0.871 -5.975 1.00 0.00 C ATOM 1168 NE ARG A 73 3.555 0.826 -7.070 1.00 0.00 N ATOM 1169 CZ ARG A 73 3.397 0.131 -8.196 1.00 0.00 C ATOM 1170 NH1 ARG A 73 2.310 -0.607 -8.392 1.00 0.00 N ATOM 1171 NH2 ARG A 73 4.342 0.168 -9.125 1.00 0.00 N ATOM 0 H ARG A 73 4.168 1.528 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 73 2.583 3.722 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.088 0.729 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.123 1.943 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.273 2.729 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.057 1.311 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.370 -0.142 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.644 1.289 -6.338 1.00 0.00 H new ATOM 0 HE ARG A 73 4.414 1.365 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.584 -0.646 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.201 -1.134 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.183 0.726 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.228 -0.361 -9.989 1.00 0.00 H new ATOM 1185 N ILE A 74 1.366 1.851 -0.586 1.00 0.00 N ATOM 1186 CA ILE A 74 0.372 1.837 0.487 1.00 0.00 C ATOM 1187 C ILE A 74 0.605 3.001 1.455 1.00 0.00 C ATOM 1188 O ILE A 74 -0.345 3.626 1.925 1.00 0.00 O ATOM 1189 CB ILE A 74 0.381 0.497 1.255 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.079 -0.655 0.295 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.635 0.521 2.392 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.104 -2.020 0.949 1.00 0.00 C ATOM 0 H ILE A 74 2.017 1.066 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.608 1.952 0.024 1.00 0.00 H new ATOM 0 HB ILE A 74 1.371 0.349 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.902 -0.495 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.806 -0.638 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.613 -0.432 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.387 1.325 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.633 0.687 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.119 -2.784 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.092 -2.203 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.643 -2.057 1.742 1.00 0.00 H new ATOM 1204 N GLU A 75 1.875 3.295 1.735 1.00 0.00 N ATOM 1205 CA GLU A 75 2.239 4.448 2.559 1.00 0.00 C ATOM 1206 C GLU A 75 1.652 5.719 1.962 1.00 0.00 C ATOM 1207 O GLU A 75 1.061 6.533 2.671 1.00 0.00 O ATOM 1208 CB GLU A 75 3.761 4.579 2.647 1.00 0.00 C ATOM 1209 CG GLU A 75 4.224 5.691 3.572 1.00 0.00 C ATOM 1210 CD GLU A 75 5.705 5.978 3.445 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.512 5.272 4.081 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.068 6.920 2.711 1.00 0.00 O ATOM 0 H GLU A 75 2.670 2.750 1.403 1.00 0.00 H new ATOM 0 HA GLU A 75 1.837 4.300 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.179 3.633 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.160 4.759 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.662 6.599 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.998 5.418 4.603 1.00 0.00 H new ATOM 1219 N SER A 76 1.797 5.863 0.651 1.00 0.00 N ATOM 1220 CA SER A 76 1.280 7.023 -0.059 1.00 0.00 C ATOM 1221 C SER A 76 -0.238 7.127 0.093 1.00 0.00 C ATOM 1222 O SER A 76 -0.774 8.213 0.311 1.00 0.00 O ATOM 1223 CB SER A 76 1.662 6.943 -1.535 1.00 0.00 C ATOM 1224 OG SER A 76 3.071 6.887 -1.699 1.00 0.00 O ATOM 0 H SER A 76 2.272 5.185 0.055 1.00 0.00 H new ATOM 0 HA SER A 76 1.724 7.919 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.206 6.061 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.266 7.810 -2.063 1.00 0.00 H new ATOM 0 HG SER A 76 3.405 6.027 -1.369 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.923 5.994 -0.006 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.375 5.970 0.132 1.00 0.00 C ATOM 1232 C VAL A 77 -2.789 6.279 1.572 1.00 0.00 C ATOM 1233 O VAL A 77 -3.671 7.107 1.810 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.965 4.606 -0.289 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.482 4.601 -0.141 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.570 4.269 -1.718 1.00 0.00 C ATOM 0 H VAL A 77 -0.499 5.083 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.771 6.738 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.555 3.843 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.874 3.630 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.747 4.791 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.912 5.378 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.995 3.305 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.947 5.039 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.484 4.222 -1.794 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.140 5.623 2.528 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.466 5.808 3.939 1.00 0.00 C ATOM 1248 C LEU A 78 -2.172 7.231 4.396 1.00 0.00 C ATOM 1249 O LEU A 78 -2.937 7.805 5.168 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.711 4.806 4.820 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.127 3.343 4.647 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.369 2.456 5.619 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.627 3.186 4.848 1.00 0.00 C ATOM 0 H LEU A 78 -1.386 4.959 2.353 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.535 5.627 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.645 4.891 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.852 5.086 5.864 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.880 3.035 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.677 1.420 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.299 2.544 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.586 2.767 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.904 2.139 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.896 3.513 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.158 3.793 4.115 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.074 7.804 3.912 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.709 9.175 4.270 1.00 0.00 C ATOM 1267 C ASP A 79 -1.738 10.151 3.719 1.00 0.00 C ATOM 1268 O ASP A 79 -2.135 11.101 4.393 1.00 0.00 O ATOM 1269 CB ASP A 79 0.684 9.533 3.744 1.00 0.00 C ATOM 1270 CG ASP A 79 1.125 10.925 4.164 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.570 11.083 5.321 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.025 11.864 3.347 1.00 0.00 O ATOM 0 H ASP A 79 -0.423 7.345 3.274 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.691 9.246 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.405 8.802 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.686 9.468 2.656 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.176 9.890 2.492 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.228 10.673 1.858 1.00 0.00 C ATOM 1279 C TRP A 80 -4.510 10.585 2.683 1.00 0.00 C ATOM 1280 O TRP A 80 -5.170 11.591 2.946 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.463 10.149 0.438 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.534 10.868 -0.327 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.403 12.029 -1.036 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.897 10.454 -0.482 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.604 12.364 -1.614 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.536 11.413 -1.289 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.639 9.363 -0.014 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.880 11.314 -1.636 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.972 9.269 -0.359 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.580 10.237 -1.165 1.00 0.00 C ATOM 0 H TRP A 80 -1.813 9.133 1.912 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.926 11.719 1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.529 10.218 -0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.723 9.092 0.494 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.490 12.599 -1.128 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.774 13.187 -2.192 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.177 8.609 0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.354 12.061 -2.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.556 8.434 -0.001 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.624 10.132 -1.421 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.836 9.372 3.111 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.996 9.137 3.960 1.00 0.00 C ATOM 1303 C ALA A 81 -5.839 9.840 5.304 1.00 0.00 C ATOM 1304 O ALA A 81 -6.823 10.252 5.918 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.202 7.647 4.171 1.00 0.00 C ATOM 0 H ALA A 81 -4.308 8.530 2.882 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.872 9.548 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.072 7.487 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.362 7.162 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.320 7.222 4.649 1.00 0.00 H new ATOM 1311 N THR A 82 -4.599 9.970 5.754 1.00 0.00 N ATOM 1312 CA THR A 82 -4.292 10.644 7.008 1.00 0.00 C ATOM 1313 C THR A 82 -4.556 12.151 6.896 1.00 0.00 C ATOM 1314 O THR A 82 -4.997 12.791 7.853 1.00 0.00 O ATOM 1315 CB THR A 82 -2.824 10.396 7.421 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.565 8.988 7.496 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.517 11.030 8.766 1.00 0.00 C ATOM 0 H THR A 82 -3.780 9.613 5.262 1.00 0.00 H new ATOM 0 HA THR A 82 -4.945 10.230 7.776 1.00 0.00 H new ATOM 0 HB THR A 82 -2.185 10.851 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.573 8.605 6.594 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.477 10.838 9.030 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.684 12.105 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.169 10.602 9.527 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.298 12.707 5.716 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.572 14.118 5.456 1.00 0.00 C ATOM 1327 C VAL A 83 -6.070 14.338 5.259 1.00 0.00 C ATOM 1328 O VAL A 83 -6.645 15.300 5.770 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.815 14.625 4.207 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -4.084 16.106 3.978 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.323 14.373 4.348 1.00 0.00 C ATOM 0 H VAL A 83 -3.900 12.203 4.924 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.225 14.682 6.322 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.179 14.072 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.542 16.442 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.152 16.263 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.751 16.675 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.807 14.736 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.947 14.898 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.144 13.304 4.460 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.695 13.425 4.529 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.126 13.503 4.257 1.00 0.00 C ATOM 1343 C ARG A 84 -8.947 13.235 5.516 1.00 0.00 C ATOM 1344 O ARG A 84 -10.103 13.644 5.611 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.514 12.508 3.167 1.00 0.00 C ATOM 1346 CG ARG A 84 -8.037 12.897 1.777 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.639 14.221 1.339 1.00 0.00 C ATOM 1348 NE ARG A 84 -10.090 14.247 1.514 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.790 15.361 1.715 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -10.182 16.542 1.699 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -12.099 15.293 1.928 1.00 0.00 N ATOM 0 H ARG A 84 -6.232 12.617 4.112 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.343 14.515 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.105 11.530 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.599 12.406 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.949 12.969 1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.309 12.118 1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.190 15.031 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.397 14.401 0.292 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.595 13.361 1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.177 16.596 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.720 17.395 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.568 14.387 1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.636 16.147 2.082 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.348 12.532 6.467 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.016 12.257 7.722 1.00 0.00 C ATOM 1367 C GLY A 85 -9.841 10.986 7.683 1.00 0.00 C ATOM 1368 O GLY A 85 -10.862 10.885 8.360 1.00 0.00 O ATOM 0 H GLY A 85 -7.407 12.146 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.272 12.177 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.663 13.097 7.976 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.401 10.011 6.895 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.095 8.732 6.816 1.00 0.00 C ATOM 1374 C TYR A 86 -9.567 7.781 7.879 1.00 0.00 C ATOM 1375 O TYR A 86 -10.259 6.857 8.306 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.955 8.111 5.424 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.645 8.912 4.345 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.977 9.280 4.480 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.967 9.315 3.204 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.616 10.023 3.508 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.598 10.064 2.226 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.923 10.413 2.383 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.554 11.167 1.417 1.00 0.00 O ATOM 0 H TYR A 86 -8.572 10.081 6.305 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.155 8.910 6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.897 8.018 5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.368 7.102 5.440 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.523 8.979 5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.930 9.040 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.654 10.297 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.056 10.373 1.345 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.926 11.359 0.690 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.337 8.017 8.302 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.766 7.290 9.420 1.00 0.00 C ATOM 1395 C ARG A 87 -6.937 8.241 10.267 1.00 0.00 C ATOM 1396 O ARG A 87 -6.756 9.403 9.900 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.920 6.096 8.959 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.722 6.455 8.097 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.793 5.260 7.935 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.116 4.918 9.189 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.047 3.685 9.702 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -4.648 2.665 9.105 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -3.380 3.475 10.829 1.00 0.00 N ATOM 0 H ARG A 87 -7.714 8.709 7.886 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.583 6.885 10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.568 5.558 9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.558 5.411 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.061 6.792 7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.179 7.285 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.365 4.401 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.049 5.480 7.169 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.666 5.673 9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.172 2.815 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.587 1.730 9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.921 4.253 11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.326 2.535 11.222 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.445 7.753 11.393 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.713 8.596 12.326 1.00 0.00 C ATOM 1419 C GLU A 88 -4.331 8.954 11.786 1.00 0.00 C ATOM 1420 O GLU A 88 -3.890 8.409 10.771 1.00 0.00 O ATOM 1421 CB GLU A 88 -5.589 7.896 13.676 1.00 0.00 C ATOM 1422 CG GLU A 88 -6.929 7.531 14.291 1.00 0.00 C ATOM 1423 CD GLU A 88 -7.897 8.696 14.312 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -7.614 9.693 15.009 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.952 8.614 13.649 1.00 0.00 O ATOM 0 H GLU A 88 -6.538 6.780 11.684 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.271 9.524 12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.995 6.990 13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.046 8.544 14.364 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.370 6.707 13.730 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.772 7.175 15.309 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.642 9.844 12.499 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.347 10.345 12.058 1.00 0.00 C ATOM 1434 C GLY A 89 -1.218 9.343 12.209 1.00 0.00 C ATOM 1435 O GLY A 89 -0.047 9.718 12.281 1.00 0.00 O ATOM 0 H GLY A 89 -3.963 10.232 13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.420 10.641 11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.102 11.242 12.627 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.569 8.078 12.266 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.598 7.011 12.351 1.00 0.00 C ATOM 1441 C ASP A 90 -0.587 6.206 11.060 1.00 0.00 C ATOM 1442 O ASP A 90 -1.622 5.696 10.625 1.00 0.00 O ATOM 1443 CB ASP A 90 -0.917 6.083 13.517 1.00 0.00 C ATOM 1444 CG ASP A 90 -0.868 6.775 14.868 1.00 0.00 C ATOM 1445 OD1 ASP A 90 -1.889 7.366 15.281 1.00 0.00 O ATOM 1446 OD2 ASP A 90 0.194 6.725 15.529 1.00 0.00 O ATOM 0 H ASP A 90 -2.538 7.760 12.255 1.00 0.00 H new ATOM 0 HA ASP A 90 0.383 7.459 12.511 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.909 5.656 13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.210 5.254 13.516 1.00 0.00 H new ATOM 1451 N ASN A 91 0.583 6.098 10.457 1.00 0.00 N ATOM 1452 CA ASN A 91 0.767 5.311 9.235 1.00 0.00 C ATOM 1453 C ASN A 91 1.716 4.143 9.500 1.00 0.00 C ATOM 1454 O ASN A 91 2.927 4.272 9.342 1.00 0.00 O ATOM 1455 CB ASN A 91 1.309 6.165 8.075 1.00 0.00 C ATOM 1456 CG ASN A 91 1.346 5.400 6.747 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.398 4.172 6.722 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.338 6.117 5.630 1.00 0.00 N ATOM 0 H ASN A 91 1.434 6.549 10.793 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.212 4.932 8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.687 7.053 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.314 6.509 8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.375 5.650 4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.294 7.135 5.678 1.00 0.00 H new ATOM 1465 N PRO A 92 1.181 2.993 9.928 1.00 0.00 N ATOM 1466 CA PRO A 92 1.989 1.812 10.277 1.00 0.00 C ATOM 1467 C PRO A 92 2.766 1.234 9.091 1.00 0.00 C ATOM 1468 O PRO A 92 3.616 0.360 9.263 1.00 0.00 O ATOM 1469 CB PRO A 92 0.948 0.802 10.770 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.342 1.250 10.172 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.259 2.744 10.101 1.00 0.00 C ATOM 0 HA PRO A 92 2.755 2.062 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.199 -0.210 10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.895 0.790 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.485 0.818 9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.187 0.933 10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.839 3.140 9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.643 3.212 11.008 1.00 0.00 H new ATOM 1479 N ALA A 93 2.485 1.735 7.895 1.00 0.00 N ATOM 1480 CA ALA A 93 3.102 1.212 6.686 1.00 0.00 C ATOM 1481 C ALA A 93 4.455 1.860 6.415 1.00 0.00 C ATOM 1482 O ALA A 93 5.190 1.414 5.532 1.00 0.00 O ATOM 1483 CB ALA A 93 2.181 1.394 5.489 1.00 0.00 C ATOM 0 H ALA A 93 1.833 2.504 7.738 1.00 0.00 H new ATOM 0 HA ALA A 93 3.269 0.146 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.662 0.996 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.246 0.862 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.974 2.455 5.347 1.00 0.00 H new ATOM 1489 N ARG A 94 4.779 2.916 7.154 1.00 0.00 N ATOM 1490 CA ARG A 94 6.068 3.572 6.995 1.00 0.00 C ATOM 1491 C ARG A 94 7.138 2.827 7.787 1.00 0.00 C ATOM 1492 O ARG A 94 8.307 2.822 7.405 1.00 0.00 O ATOM 1493 CB ARG A 94 5.978 5.052 7.401 1.00 0.00 C ATOM 1494 CG ARG A 94 5.658 5.318 8.867 1.00 0.00 C ATOM 1495 CD ARG A 94 6.916 5.491 9.702 1.00 0.00 C ATOM 1496 NE ARG A 94 6.605 5.876 11.079 1.00 0.00 N ATOM 1497 CZ ARG A 94 7.509 6.309 11.959 1.00 0.00 C ATOM 1498 NH1 ARG A 94 8.790 6.414 11.616 1.00 0.00 N ATOM 1499 NH2 ARG A 94 7.137 6.632 13.191 1.00 0.00 N ATOM 0 H ARG A 94 4.173 3.331 7.861 1.00 0.00 H new ATOM 0 HA ARG A 94 6.354 3.544 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.926 5.533 7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.214 5.532 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.044 6.215 8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.069 4.492 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.482 4.559 9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.553 6.250 9.247 1.00 0.00 H new ATOM 0 HE ARG A 94 5.635 5.809 11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.088 6.162 10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.474 6.746 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.158 6.549 13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.830 6.963 13.863 1.00 0.00 H new ATOM 1513 N TRP A 95 6.708 2.192 8.885 1.00 0.00 N ATOM 1514 CA TRP A 95 7.564 1.311 9.687 1.00 0.00 C ATOM 1515 C TRP A 95 8.703 2.057 10.384 1.00 0.00 C ATOM 1516 O TRP A 95 9.139 3.120 9.948 1.00 0.00 O ATOM 1517 CB TRP A 95 8.138 0.200 8.808 1.00 0.00 C ATOM 1518 CG TRP A 95 7.814 -1.167 9.314 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.114 -1.666 10.540 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.126 -2.204 8.612 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.669 -2.958 10.646 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.054 -3.312 9.475 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.567 -2.303 7.337 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.441 -4.504 9.103 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.960 -3.485 6.969 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.900 -4.573 7.848 1.00 0.00 C ATOM 0 H TRP A 95 5.756 2.275 9.242 1.00 0.00 H new ATOM 0 HA TRP A 95 6.934 0.887 10.469 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.750 0.308 7.795 1.00 0.00 H new ATOM 0 HB3 TRP A 95 9.221 0.313 8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.629 -1.124 11.319 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.778 -3.558 11.464 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.609 -1.469 6.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.394 -5.344 9.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.523 -3.573 5.985 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.417 -5.485 7.529 1.00 0.00 H new ATOM 1537 N ARG A 96 9.162 1.499 11.495 1.00 0.00 N ATOM 1538 CA ARG A 96 10.359 1.993 12.149 1.00 0.00 C ATOM 1539 C ARG A 96 11.589 1.356 11.520 1.00 0.00 C ATOM 1540 O ARG A 96 12.653 1.965 11.439 1.00 0.00 O ATOM 1541 CB ARG A 96 10.322 1.681 13.642 1.00 0.00 C ATOM 1542 CG ARG A 96 9.240 2.427 14.405 1.00 0.00 C ATOM 1543 CD ARG A 96 9.351 2.165 15.897 1.00 0.00 C ATOM 1544 NE ARG A 96 10.674 2.520 16.402 1.00 0.00 N ATOM 1545 CZ ARG A 96 11.122 2.223 17.617 1.00 0.00 C ATOM 1546 NH1 ARG A 96 10.364 1.559 18.486 1.00 0.00 N ATOM 1547 NH2 ARG A 96 12.346 2.589 17.958 1.00 0.00 N ATOM 0 H ARG A 96 8.722 0.705 11.960 1.00 0.00 H new ATOM 0 HA ARG A 96 10.405 3.074 12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.172 0.610 13.775 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.291 1.924 14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.325 3.496 14.212 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.258 2.116 14.049 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.591 2.740 16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.153 1.112 16.099 1.00 0.00 H new ATOM 0 HE ARG A 96 11.298 3.032 15.778 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.422 1.269 18.224 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.725 1.340 19.414 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.932 3.092 17.292 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.704 2.368 18.887 1.00 0.00 H new ATOM 1561 N GLY A 97 11.427 0.120 11.067 1.00 0.00 N ATOM 1562 CA GLY A 97 12.520 -0.591 10.436 1.00 0.00 C ATOM 1563 C GLY A 97 12.495 -2.080 10.726 1.00 0.00 C ATOM 1564 O GLY A 97 13.396 -2.610 11.376 1.00 0.00 O ATOM 0 H GLY A 97 10.554 -0.404 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.476 -0.434 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.466 -0.174 10.780 1.00 0.00 H new ATOM 1568 N TYR A 98 11.461 -2.757 10.244 1.00 0.00 N ATOM 1569 CA TYR A 98 11.342 -4.198 10.416 1.00 0.00 C ATOM 1570 C TYR A 98 11.157 -4.849 9.052 1.00 0.00 C ATOM 1571 O TYR A 98 10.577 -4.237 8.155 1.00 0.00 O ATOM 1572 CB TYR A 98 10.171 -4.526 11.342 1.00 0.00 C ATOM 1573 CG TYR A 98 10.252 -5.887 11.997 1.00 0.00 C ATOM 1574 CD1 TYR A 98 11.206 -6.148 12.973 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.365 -6.902 11.659 1.00 0.00 C ATOM 1576 CE1 TYR A 98 11.277 -7.380 13.593 1.00 0.00 C ATOM 1577 CE2 TYR A 98 9.431 -8.140 12.274 1.00 0.00 C ATOM 1578 CZ TYR A 98 10.389 -8.372 13.239 1.00 0.00 C ATOM 1579 OH TYR A 98 10.454 -9.598 13.862 1.00 0.00 O ATOM 0 H TYR A 98 10.691 -2.330 9.730 1.00 0.00 H new ATOM 0 HA TYR A 98 12.250 -4.589 10.876 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.115 -3.765 12.120 1.00 0.00 H new ATOM 0 HB3 TYR A 98 9.245 -4.466 10.771 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.905 -5.373 13.252 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.613 -6.722 10.905 1.00 0.00 H new ATOM 0 HE1 TYR A 98 12.024 -7.565 14.351 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.736 -8.920 12.000 1.00 0.00 H new ATOM 0 HH TYR A 98 9.759 -10.186 13.500 1.00 0.00 H new ATOM 1589 N LEU A 99 11.665 -6.076 8.903 1.00 0.00 N ATOM 1590 CA LEU A 99 11.683 -6.799 7.638 1.00 0.00 C ATOM 1591 C LEU A 99 12.659 -6.174 6.632 1.00 0.00 C ATOM 1592 O LEU A 99 13.336 -6.883 5.889 1.00 0.00 O ATOM 1593 CB LEU A 99 10.286 -6.897 7.044 1.00 0.00 C ATOM 1594 CG LEU A 99 9.235 -7.572 7.931 1.00 0.00 C ATOM 1595 CD1 LEU A 99 7.877 -7.567 7.248 1.00 0.00 C ATOM 1596 CD2 LEU A 99 9.653 -8.996 8.274 1.00 0.00 C ATOM 0 H LEU A 99 12.081 -6.599 9.674 1.00 0.00 H new ATOM 0 HA LEU A 99 12.037 -7.807 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.941 -5.891 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.348 -7.445 6.104 1.00 0.00 H new ATOM 0 HG LEU A 99 9.158 -7.005 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.143 -8.051 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.570 -6.539 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.943 -8.108 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.892 -9.457 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.763 -9.574 7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.604 -8.978 8.807 1.00 0.00 H new