USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 726 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 46 MET CE :methyl 179:sc= -2.26 (180deg=-2.37) USER MOD Set 2.1: A 14 THR OG1 : rot 142:sc= -0.655 USER MOD Set 2.2: A 40 SER OG : rot 134:sc= 0.923 USER MOD Set 3.1: A 4 THR OG1 : rot 160:sc= 0.245 USER MOD Set 3.2: A 7 GLN :FLIP amide:sc= -0.24 F(o=-1.7,f=0.0052) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -24:sc= 0.328 USER MOD Single : A 10 GLN :FLIP amide:sc= -2.37! C(o=-3.5!,f=-2.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -1.94! (180deg=-4.15!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -160:sc= -0.0242 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= -0.342 (180deg=-0.425) USER MOD Single : A 53 SER OG : rot 40:sc= 1.29 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -172:sc= -2.68! (180deg=-2.77!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.065) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 106:sc= 0.679 USER MOD Single : A 69 SER OG : rot -170:sc= -1.68 USER MOD Single : A 74 THR OG1 : rot -130:sc= -2.01! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.176 X(o=0.18,f=-0.038) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.34! C(o=-4.3!,f=-10!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.711 -12.038 -7.216 1.00 0.00 N ATOM 9 CA PRO A 0 -10.315 -11.444 -6.035 1.00 0.00 C ATOM 10 C PRO A 0 -11.182 -10.240 -6.410 1.00 0.00 C ATOM 11 O PRO A 0 -11.586 -10.096 -7.563 1.00 0.00 O ATOM 12 CB PRO A 0 -9.145 -11.076 -5.138 1.00 0.00 C ATOM 13 CG PRO A 0 -7.920 -11.050 -6.038 1.00 0.00 C ATOM 14 CD PRO A 0 -8.290 -11.728 -7.347 1.00 0.00 C ATOM 0 H2 PRO A 0 -10.204 -11.708 -8.046 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.831 -13.050 -7.180 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.994 -12.125 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -9.304 -10.106 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -9.024 -11.804 -4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.599 -10.024 -6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -7.086 -11.566 -5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -8.105 -11.073 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.701 -12.631 -7.505 1.00 0.00 H new ATOM 22 N MET A 1 -11.443 -9.407 -5.414 1.00 0.00 N ATOM 23 CA MET A 1 -12.255 -8.220 -5.624 1.00 0.00 C ATOM 24 C MET A 1 -11.538 -7.218 -6.531 1.00 0.00 C ATOM 25 O MET A 1 -12.176 -6.522 -7.319 1.00 0.00 O ATOM 26 CB MET A 1 -12.558 -7.563 -4.276 1.00 0.00 C ATOM 27 CG MET A 1 -13.575 -8.385 -3.481 1.00 0.00 C ATOM 28 SD MET A 1 -14.029 -7.516 -1.990 1.00 0.00 S ATOM 29 CE MET A 1 -15.652 -6.934 -2.453 1.00 0.00 C ATOM 0 H MET A 1 -11.107 -9.530 -4.459 1.00 0.00 H new ATOM 0 HA MET A 1 -13.184 -8.520 -6.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.637 -7.463 -3.701 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.945 -6.557 -4.437 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.461 -8.569 -4.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.152 -9.358 -3.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.084 -6.366 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.572 -6.294 -3.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.292 -7.786 -2.682 1.00 0.00 H new ATOM 39 N GLU A 2 -10.221 -7.178 -6.390 1.00 0.00 N ATOM 40 CA GLU A 2 -9.410 -6.273 -7.186 1.00 0.00 C ATOM 41 C GLU A 2 -9.906 -4.835 -7.026 1.00 0.00 C ATOM 42 O GLU A 2 -11.040 -4.521 -7.387 1.00 0.00 O ATOM 43 CB GLU A 2 -9.408 -6.691 -8.658 1.00 0.00 C ATOM 44 CG GLU A 2 -8.802 -8.086 -8.831 1.00 0.00 C ATOM 45 CD GLU A 2 -8.387 -8.327 -10.284 1.00 0.00 C ATOM 46 OE1 GLU A 2 -9.149 -7.889 -11.172 1.00 0.00 O ATOM 47 OE2 GLU A 2 -7.316 -8.943 -10.473 1.00 0.00 O ATOM 0 H GLU A 2 -9.695 -7.758 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.383 -6.324 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.428 -6.683 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.840 -5.969 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.935 -8.193 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.526 -8.841 -8.526 1.00 0.00 H new ATOM 54 N PHE A 3 -9.033 -3.999 -6.484 1.00 0.00 N ATOM 55 CA PHE A 3 -9.368 -2.601 -6.271 1.00 0.00 C ATOM 56 C PHE A 3 -8.524 -1.692 -7.167 1.00 0.00 C ATOM 57 O PHE A 3 -7.301 -1.819 -7.210 1.00 0.00 O ATOM 58 CB PHE A 3 -9.058 -2.284 -4.807 1.00 0.00 C ATOM 59 CG PHE A 3 -9.937 -3.039 -3.808 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.567 -4.274 -3.373 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.089 -2.476 -3.354 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.383 -4.974 -2.446 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.905 -3.177 -2.427 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.534 -4.411 -1.992 1.00 0.00 C ATOM 0 H PHE A 3 -8.094 -4.263 -6.186 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.417 -2.430 -6.511 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.013 -2.521 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.178 -1.213 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.652 -4.722 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.383 -1.496 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.089 -5.954 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.820 -2.730 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.154 -4.944 -1.286 1.00 0.00 H new ATOM 74 N THR A 4 -9.210 -0.795 -7.860 1.00 0.00 N ATOM 75 CA THR A 4 -8.538 0.135 -8.752 1.00 0.00 C ATOM 76 C THR A 4 -7.968 1.315 -7.962 1.00 0.00 C ATOM 77 O THR A 4 -8.413 1.594 -6.850 1.00 0.00 O ATOM 78 CB THR A 4 -9.534 0.553 -9.836 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.395 1.478 -9.177 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.462 -0.590 -10.251 1.00 0.00 C ATOM 0 H THR A 4 -10.224 -0.692 -7.822 1.00 0.00 H new ATOM 0 HA THR A 4 -7.682 -0.332 -9.239 1.00 0.00 H new ATOM 0 HB THR A 4 -8.990 0.914 -10.709 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.852 2.032 -9.844 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.148 -0.240 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.869 -1.417 -10.642 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.031 -0.929 -9.385 1.00 0.00 H new ATOM 88 N ALA A 5 -6.993 1.975 -8.568 1.00 0.00 N ATOM 89 CA ALA A 5 -6.358 3.118 -7.935 1.00 0.00 C ATOM 90 C ALA A 5 -7.429 4.134 -7.533 1.00 0.00 C ATOM 91 O ALA A 5 -7.243 4.897 -6.586 1.00 0.00 O ATOM 92 CB ALA A 5 -5.316 3.715 -8.884 1.00 0.00 C ATOM 0 H ALA A 5 -6.627 1.740 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.836 2.812 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.840 4.573 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.562 2.963 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.804 4.035 -9.805 1.00 0.00 H new ATOM 98 N GLU A 6 -8.528 4.111 -8.273 1.00 0.00 N ATOM 99 CA GLU A 6 -9.630 5.020 -8.005 1.00 0.00 C ATOM 100 C GLU A 6 -10.370 4.597 -6.735 1.00 0.00 C ATOM 101 O GLU A 6 -10.640 5.424 -5.865 1.00 0.00 O ATOM 102 CB GLU A 6 -10.585 5.090 -9.198 1.00 0.00 C ATOM 103 CG GLU A 6 -10.508 6.457 -9.882 1.00 0.00 C ATOM 104 CD GLU A 6 -11.173 6.419 -11.259 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.684 5.640 -12.105 1.00 0.00 O ATOM 106 OE2 GLU A 6 -12.157 7.170 -11.435 1.00 0.00 O ATOM 0 H GLU A 6 -8.679 3.477 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.222 6.019 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.336 4.307 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.605 4.904 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.995 7.207 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.465 6.758 -9.986 1.00 0.00 H new ATOM 113 N GLN A 7 -10.677 3.310 -6.667 1.00 0.00 N ATOM 114 CA GLN A 7 -11.381 2.768 -5.517 1.00 0.00 C ATOM 115 C GLN A 7 -10.441 2.680 -4.313 1.00 0.00 C ATOM 116 O GLN A 7 -10.828 3.015 -3.194 1.00 0.00 O ATOM 117 CB GLN A 7 -11.987 1.401 -5.841 1.00 0.00 C ATOM 118 CG GLN A 7 -13.379 1.551 -6.458 1.00 0.00 C ATOM 119 CD GLN A 7 -13.295 1.656 -7.982 1.00 0.00 C ATOM 120 OE1 GLN A 7 -12.862 2.835 -8.420 1.00 0.00 O flip ATOM 121 NE2 GLN A 7 -13.602 0.728 -8.712 1.00 0.00 N flip ATOM 0 H GLN A 7 -10.451 2.627 -7.390 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.200 3.442 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.335 0.865 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.051 0.803 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.997 0.696 -6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.866 2.439 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.927 -0.151 -8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.533 0.831 -9.724 1.00 0.00 H new ATOM 130 N LEU A 8 -9.226 2.228 -4.583 1.00 0.00 N ATOM 131 CA LEU A 8 -8.228 2.091 -3.535 1.00 0.00 C ATOM 132 C LEU A 8 -8.005 3.451 -2.870 1.00 0.00 C ATOM 133 O LEU A 8 -7.703 3.521 -1.679 1.00 0.00 O ATOM 134 CB LEU A 8 -6.949 1.462 -4.092 1.00 0.00 C ATOM 135 CG LEU A 8 -5.691 1.633 -3.238 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.385 0.358 -2.451 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.504 2.077 -4.094 1.00 0.00 C ATOM 0 H LEU A 8 -8.909 1.952 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.579 1.410 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.125 0.396 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.757 1.889 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.877 2.423 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.486 0.507 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.224 0.125 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.227 -0.468 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.623 2.191 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.307 1.327 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.735 3.030 -4.570 1.00 0.00 H new ATOM 149 N SER A 9 -8.163 4.497 -3.667 1.00 0.00 N ATOM 150 CA SER A 9 -7.983 5.851 -3.170 1.00 0.00 C ATOM 151 C SER A 9 -9.161 6.241 -2.275 1.00 0.00 C ATOM 152 O SER A 9 -9.145 7.298 -1.647 1.00 0.00 O ATOM 153 CB SER A 9 -7.840 6.846 -4.322 1.00 0.00 C ATOM 154 OG SER A 9 -7.575 8.167 -3.857 1.00 0.00 O ATOM 0 H SER A 9 -8.414 4.435 -4.654 1.00 0.00 H new ATOM 0 HA SER A 9 -7.064 5.881 -2.584 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.033 6.525 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.754 6.847 -4.916 1.00 0.00 H new ATOM 0 HG SER A 9 -7.910 8.265 -2.941 1.00 0.00 H new ATOM 160 N GLN A 10 -10.155 5.365 -2.244 1.00 0.00 N ATOM 161 CA GLN A 10 -11.339 5.605 -1.437 1.00 0.00 C ATOM 162 C GLN A 10 -11.287 4.767 -0.157 1.00 0.00 C ATOM 163 O GLN A 10 -12.293 4.622 0.535 1.00 0.00 O ATOM 164 CB GLN A 10 -12.613 5.314 -2.232 1.00 0.00 C ATOM 165 CG GLN A 10 -12.373 5.482 -3.733 1.00 0.00 C ATOM 166 CD GLN A 10 -13.644 5.179 -4.529 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.204 4.010 -4.229 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.087 5.954 -5.360 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.164 4.488 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.358 6.659 -1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.951 4.298 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.408 5.986 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.044 6.500 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.572 4.816 -4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.607 6.836 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.937 5.720 -5.873 1.00 0.00 H new ATOM 177 N TYR A 11 -10.104 4.237 0.117 1.00 0.00 N ATOM 178 CA TYR A 11 -9.908 3.417 1.301 1.00 0.00 C ATOM 179 C TYR A 11 -8.596 3.773 2.003 1.00 0.00 C ATOM 180 O TYR A 11 -7.713 2.928 2.141 1.00 0.00 O ATOM 181 CB TYR A 11 -9.832 1.972 0.805 1.00 0.00 C ATOM 182 CG TYR A 11 -11.128 1.462 0.173 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.277 1.369 0.933 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.149 1.094 -1.157 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.497 0.889 0.338 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.369 0.614 -1.752 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.483 0.535 -0.975 1.00 0.00 C ATOM 188 OH TYR A 11 -14.636 0.082 -1.537 1.00 0.00 O ATOM 0 H TYR A 11 -9.272 4.359 -0.460 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.718 3.572 2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.027 1.891 0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.569 1.325 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.261 1.656 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.250 1.166 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.403 0.812 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.399 0.323 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.478 -0.133 -2.480 1.00 0.00 H new ATOM 198 N ASN A 12 -8.510 5.025 2.428 1.00 0.00 N ATOM 199 CA ASN A 12 -7.321 5.503 3.113 1.00 0.00 C ATOM 200 C ASN A 12 -7.665 5.806 4.572 1.00 0.00 C ATOM 201 O ASN A 12 -6.850 6.370 5.301 1.00 0.00 O ATOM 202 CB ASN A 12 -6.797 6.790 2.473 1.00 0.00 C ATOM 203 CG ASN A 12 -7.325 8.023 3.209 1.00 0.00 C ATOM 204 OD1 ASN A 12 -6.752 8.491 4.180 1.00 0.00 O ATOM 205 ND2 ASN A 12 -8.447 8.520 2.696 1.00 0.00 N ATOM 0 H ASN A 12 -9.244 5.723 2.311 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.557 4.729 3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.707 6.791 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.100 6.829 1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.880 9.342 3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.874 8.079 1.882 1.00 0.00 H new ATOM 212 N GLY A 13 -8.872 5.418 4.955 1.00 0.00 N ATOM 213 CA GLY A 13 -9.334 5.642 6.315 1.00 0.00 C ATOM 214 C GLY A 13 -9.583 7.129 6.572 1.00 0.00 C ATOM 215 O GLY A 13 -8.648 7.882 6.842 1.00 0.00 O ATOM 0 H GLY A 13 -9.545 4.950 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.252 5.081 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.593 5.266 7.021 1.00 0.00 H new ATOM 219 N THR A 14 -10.849 7.509 6.478 1.00 0.00 N ATOM 220 CA THR A 14 -11.233 8.893 6.697 1.00 0.00 C ATOM 221 C THR A 14 -12.728 9.081 6.428 1.00 0.00 C ATOM 222 O THR A 14 -13.386 9.881 7.091 1.00 0.00 O ATOM 223 CB THR A 14 -10.343 9.775 5.820 1.00 0.00 C ATOM 224 OG1 THR A 14 -9.859 10.776 6.711 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.141 10.560 4.776 1.00 0.00 C ATOM 0 H THR A 14 -11.622 6.882 6.253 1.00 0.00 H new ATOM 0 HA THR A 14 -11.082 9.185 7.736 1.00 0.00 H new ATOM 0 HB THR A 14 -9.601 9.154 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.924 10.980 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.461 11.169 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.670 9.865 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.861 11.206 5.279 1.00 0.00 H new ATOM 293 N PRO A 19 -12.911 0.956 4.648 1.00 0.00 N ATOM 294 CA PRO A 19 -11.722 0.285 5.146 1.00 0.00 C ATOM 295 C PRO A 19 -10.456 0.886 4.533 1.00 0.00 C ATOM 296 O PRO A 19 -10.527 1.617 3.546 1.00 0.00 O ATOM 297 CB PRO A 19 -11.918 -1.179 4.790 1.00 0.00 C ATOM 298 CG PRO A 19 -12.980 -1.205 3.702 1.00 0.00 C ATOM 299 CD PRO A 19 -13.647 0.160 3.670 1.00 0.00 C ATOM 0 HA PRO A 19 -11.591 0.405 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.987 -1.623 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.236 -1.753 5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.531 -1.433 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.715 -1.984 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.592 0.604 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.703 0.091 3.930 1.00 0.00 H new ATOM 307 N ILE A 20 -9.327 0.556 5.142 1.00 0.00 N ATOM 308 CA ILE A 20 -8.047 1.054 4.668 1.00 0.00 C ATOM 309 C ILE A 20 -7.330 -0.053 3.894 1.00 0.00 C ATOM 310 O ILE A 20 -7.119 -1.146 4.417 1.00 0.00 O ATOM 311 CB ILE A 20 -7.229 1.621 5.830 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.043 2.644 6.626 1.00 0.00 C ATOM 313 CG2 ILE A 20 -5.904 2.204 5.335 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.391 2.107 8.015 1.00 0.00 C ATOM 0 H ILE A 20 -9.272 -0.051 5.960 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.193 1.884 3.977 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.987 0.803 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.476 3.570 6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.958 2.885 6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.342 2.600 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.322 1.422 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.102 3.006 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.969 2.854 8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.979 1.194 7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.473 1.890 8.562 1.00 0.00 H new ATOM 326 N TYR A 21 -6.974 0.268 2.658 1.00 0.00 N ATOM 327 CA TYR A 21 -6.284 -0.685 1.806 1.00 0.00 C ATOM 328 C TYR A 21 -5.019 -0.069 1.206 1.00 0.00 C ATOM 329 O TYR A 21 -5.062 1.027 0.649 1.00 0.00 O ATOM 330 CB TYR A 21 -7.258 -1.023 0.676 1.00 0.00 C ATOM 331 CG TYR A 21 -8.525 -1.743 1.142 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.480 -2.582 2.237 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.714 -1.554 0.467 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.672 -3.260 2.675 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.907 -2.232 0.905 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.827 -3.052 1.987 1.00 0.00 C ATOM 337 OH TYR A 21 -11.953 -3.692 2.401 1.00 0.00 O ATOM 0 H TYR A 21 -7.151 1.175 2.227 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.985 -1.564 2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.542 -0.102 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.746 -1.647 -0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.550 -2.730 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.750 -0.898 -0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.650 -3.919 3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.844 -2.092 0.386 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.701 -3.448 1.817 1.00 0.00 H new ATOM 347 N VAL A 22 -3.922 -0.801 1.339 1.00 0.00 N ATOM 348 CA VAL A 22 -2.647 -0.340 0.816 1.00 0.00 C ATOM 349 C VAL A 22 -2.299 -1.136 -0.443 1.00 0.00 C ATOM 350 O VAL A 22 -2.737 -2.274 -0.603 1.00 0.00 O ATOM 351 CB VAL A 22 -1.572 -0.436 1.900 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.282 0.257 1.456 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.075 0.139 3.225 1.00 0.00 C ATOM 0 H VAL A 22 -3.890 -1.710 1.801 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.709 0.710 0.530 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.349 -1.491 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.466 0.174 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.093 -0.218 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.484 1.309 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.291 0.058 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.341 1.187 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.952 -0.418 3.554 1.00 0.00 H new ATOM 363 N ALA A 23 -1.515 -0.505 -1.305 1.00 0.00 N ATOM 364 CA ALA A 23 -1.104 -1.140 -2.546 1.00 0.00 C ATOM 365 C ALA A 23 0.419 -1.287 -2.558 1.00 0.00 C ATOM 366 O ALA A 23 1.138 -0.359 -2.191 1.00 0.00 O ATOM 367 CB ALA A 23 -1.621 -0.325 -3.733 1.00 0.00 C ATOM 0 H ALA A 23 -1.154 0.439 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.532 -2.139 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.313 -0.802 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.709 -0.276 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.210 0.684 -3.688 1.00 0.00 H new ATOM 373 N ILE A 24 0.865 -2.459 -2.984 1.00 0.00 N ATOM 374 CA ILE A 24 2.290 -2.739 -3.049 1.00 0.00 C ATOM 375 C ILE A 24 2.554 -3.767 -4.151 1.00 0.00 C ATOM 376 O ILE A 24 2.160 -4.926 -4.031 1.00 0.00 O ATOM 377 CB ILE A 24 2.816 -3.162 -1.675 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.031 -2.479 -0.554 1.00 0.00 C ATOM 379 CG2 ILE A 24 4.320 -2.904 -1.561 1.00 0.00 C ATOM 380 CD1 ILE A 24 2.466 -3.002 0.817 1.00 0.00 C ATOM 0 H ILE A 24 0.265 -3.226 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 24 2.843 -1.838 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 24 2.664 -4.236 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.185 -1.401 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.964 -2.655 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.669 -3.213 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.846 -3.474 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.518 -1.841 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.893 -2.500 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.288 -4.076 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.528 -2.803 0.962 1.00 0.00 H new ATOM 392 N LYS A 25 3.218 -3.304 -5.200 1.00 0.00 N ATOM 393 CA LYS A 25 3.539 -4.169 -6.323 1.00 0.00 C ATOM 394 C LYS A 25 2.266 -4.451 -7.124 1.00 0.00 C ATOM 395 O LYS A 25 2.259 -5.313 -8.002 1.00 0.00 O ATOM 396 CB LYS A 25 4.254 -5.432 -5.839 1.00 0.00 C ATOM 397 CG LYS A 25 5.525 -5.080 -5.064 1.00 0.00 C ATOM 398 CD LYS A 25 6.543 -4.382 -5.967 1.00 0.00 C ATOM 399 CE LYS A 25 7.827 -5.206 -6.085 1.00 0.00 C ATOM 400 NZ LYS A 25 7.683 -6.245 -7.128 1.00 0.00 N ATOM 0 H LYS A 25 3.542 -2.342 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 25 4.237 -3.674 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.585 -6.012 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.507 -6.061 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.275 -4.432 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.964 -5.987 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.112 -4.229 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.775 -3.396 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.664 -4.552 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.055 -5.673 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.608 -7.180 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.826 -6.059 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.514 -6.227 -7.753 1.00 0.00 H new ATOM 414 N GLY A 26 1.220 -3.708 -6.793 1.00 0.00 N ATOM 415 CA GLY A 26 -0.055 -3.868 -7.471 1.00 0.00 C ATOM 416 C GLY A 26 -0.989 -4.782 -6.674 1.00 0.00 C ATOM 417 O GLY A 26 -1.985 -5.271 -7.204 1.00 0.00 O ATOM 0 H GLY A 26 1.229 -2.994 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.523 -2.893 -7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.107 -4.285 -8.465 1.00 0.00 H new ATOM 421 N ARG A 27 -0.633 -4.985 -5.414 1.00 0.00 N ATOM 422 CA ARG A 27 -1.426 -5.831 -4.540 1.00 0.00 C ATOM 423 C ARG A 27 -2.058 -4.997 -3.424 1.00 0.00 C ATOM 424 O ARG A 27 -1.379 -4.200 -2.779 1.00 0.00 O ATOM 425 CB ARG A 27 -0.570 -6.937 -3.918 1.00 0.00 C ATOM 426 CG ARG A 27 -1.397 -8.201 -3.678 1.00 0.00 C ATOM 427 CD ARG A 27 -0.605 -9.229 -2.867 1.00 0.00 C ATOM 428 NE ARG A 27 -0.244 -10.380 -3.723 1.00 0.00 N ATOM 429 CZ ARG A 27 -1.092 -11.363 -4.058 1.00 0.00 C ATOM 430 NH1 ARG A 27 -2.354 -11.340 -3.610 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.676 -12.369 -4.840 1.00 0.00 N ATOM 0 H ARG A 27 0.194 -4.578 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.209 -6.289 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.268 -7.166 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.149 -6.589 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.315 -7.944 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.691 -8.635 -4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.297 -8.769 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.198 -9.569 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 27 0.710 -10.429 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.670 -10.575 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.999 -12.088 -3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.285 -12.387 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.321 -13.117 -5.095 1.00 0.00 H new ATOM 445 N VAL A 28 -3.352 -5.209 -3.230 1.00 0.00 N ATOM 446 CA VAL A 28 -4.083 -4.487 -2.203 1.00 0.00 C ATOM 447 C VAL A 28 -3.982 -5.248 -0.880 1.00 0.00 C ATOM 448 O VAL A 28 -4.341 -6.422 -0.806 1.00 0.00 O ATOM 449 CB VAL A 28 -5.528 -4.259 -2.652 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.416 -3.872 -1.468 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.598 -3.203 -3.758 1.00 0.00 C ATOM 0 H VAL A 28 -3.913 -5.871 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.646 -3.501 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.904 -5.197 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.437 -3.716 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.403 -4.671 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.041 -2.953 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.636 -3.060 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.194 -2.261 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.014 -3.536 -4.616 1.00 0.00 H new ATOM 461 N PHE A 29 -3.491 -4.548 0.132 1.00 0.00 N ATOM 462 CA PHE A 29 -3.338 -5.143 1.449 1.00 0.00 C ATOM 463 C PHE A 29 -4.196 -4.413 2.484 1.00 0.00 C ATOM 464 O PHE A 29 -4.435 -3.213 2.362 1.00 0.00 O ATOM 465 CB PHE A 29 -1.864 -5.002 1.835 1.00 0.00 C ATOM 466 CG PHE A 29 -0.922 -5.908 1.039 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.064 -7.259 1.103 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.056 -5.362 0.268 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.190 -8.100 0.364 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.929 -6.203 -0.471 1.00 0.00 C ATOM 471 CZ PHE A 29 0.788 -7.554 -0.408 1.00 0.00 C ATOM 0 H PHE A 29 -3.194 -3.574 0.067 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.655 -6.186 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.560 -3.965 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.754 -5.224 2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.841 -7.692 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.169 -4.289 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.302 -9.173 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.706 -5.769 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.452 -8.193 -0.971 1.00 0.00 H new ATOM 481 N ASP A 30 -4.636 -5.169 3.480 1.00 0.00 N ATOM 482 CA ASP A 30 -5.463 -4.608 4.535 1.00 0.00 C ATOM 483 C ASP A 30 -4.574 -4.209 5.715 1.00 0.00 C ATOM 484 O ASP A 30 -3.825 -5.032 6.238 1.00 0.00 O ATOM 485 CB ASP A 30 -6.484 -5.631 5.037 1.00 0.00 C ATOM 486 CG ASP A 30 -6.895 -5.470 6.501 1.00 0.00 C ATOM 487 OD1 ASP A 30 -5.976 -5.427 7.348 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.119 -5.392 6.742 1.00 0.00 O ATOM 0 H ASP A 30 -4.435 -6.164 3.578 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.988 -3.744 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.377 -5.566 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.072 -6.631 4.899 1.00 0.00 H new ATOM 493 N VAL A 31 -4.688 -2.946 6.100 1.00 0.00 N ATOM 494 CA VAL A 31 -3.904 -2.428 7.208 1.00 0.00 C ATOM 495 C VAL A 31 -4.838 -1.753 8.215 1.00 0.00 C ATOM 496 O VAL A 31 -4.380 -1.167 9.195 1.00 0.00 O ATOM 497 CB VAL A 31 -2.812 -1.493 6.685 1.00 0.00 C ATOM 498 CG1 VAL A 31 -1.901 -2.217 5.691 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.419 -0.237 6.058 1.00 0.00 C ATOM 0 H VAL A 31 -5.312 -2.267 5.664 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.395 -3.239 7.729 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.203 -1.182 7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.133 -1.530 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.428 -3.066 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.492 -2.571 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.621 0.410 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.063 -0.521 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.006 0.296 6.806 1.00 0.00 H new ATOM 509 N THR A 32 -6.129 -1.856 7.938 1.00 0.00 N ATOM 510 CA THR A 32 -7.131 -1.263 8.807 1.00 0.00 C ATOM 511 C THR A 32 -6.902 -1.694 10.257 1.00 0.00 C ATOM 512 O THR A 32 -7.339 -1.017 11.187 1.00 0.00 O ATOM 513 CB THR A 32 -8.511 -1.647 8.270 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.268 -1.945 9.439 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.491 -2.965 7.493 1.00 0.00 C ATOM 0 H THR A 32 -6.505 -2.342 7.123 1.00 0.00 H new ATOM 0 HA THR A 32 -7.058 -0.175 8.809 1.00 0.00 H new ATOM 0 HB THR A 32 -8.884 -0.851 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.178 -2.202 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.495 -3.191 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.813 -2.877 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.150 -3.768 8.147 1.00 0.00 H new ATOM 523 N THR A 33 -6.217 -2.819 10.405 1.00 0.00 N ATOM 524 CA THR A 33 -5.925 -3.348 11.726 1.00 0.00 C ATOM 525 C THR A 33 -5.219 -2.293 12.580 1.00 0.00 C ATOM 526 O THR A 33 -5.042 -2.479 13.783 1.00 0.00 O ATOM 527 CB THR A 33 -5.111 -4.632 11.552 1.00 0.00 C ATOM 528 OG1 THR A 33 -3.842 -4.179 11.088 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.634 -5.506 10.410 1.00 0.00 C ATOM 0 H THR A 33 -5.856 -3.378 9.632 1.00 0.00 H new ATOM 0 HA THR A 33 -6.840 -3.596 12.263 1.00 0.00 H new ATOM 0 HB THR A 33 -5.127 -5.201 12.482 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.250 -4.948 10.950 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.022 -6.404 10.329 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.667 -5.788 10.612 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.586 -4.949 9.474 1.00 0.00 H new ATOM 537 N GLY A 34 -4.834 -1.208 11.924 1.00 0.00 N ATOM 538 CA GLY A 34 -4.151 -0.123 12.608 1.00 0.00 C ATOM 539 C GLY A 34 -4.478 1.224 11.960 1.00 0.00 C ATOM 540 O GLY A 34 -3.578 2.008 11.662 1.00 0.00 O ATOM 0 H GLY A 34 -4.982 -1.057 10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.445 -0.107 13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.074 -0.292 12.582 1.00 0.00 H new ATOM 544 N LYS A 35 -5.768 1.452 11.762 1.00 0.00 N ATOM 545 CA LYS A 35 -6.224 2.691 11.155 1.00 0.00 C ATOM 546 C LYS A 35 -5.567 3.875 11.868 1.00 0.00 C ATOM 547 O LYS A 35 -5.430 4.953 11.291 1.00 0.00 O ATOM 548 CB LYS A 35 -7.753 2.751 11.145 1.00 0.00 C ATOM 549 CG LYS A 35 -8.273 3.672 12.251 1.00 0.00 C ATOM 550 CD LYS A 35 -9.798 3.785 12.199 1.00 0.00 C ATOM 551 CE LYS A 35 -10.257 5.192 12.585 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.553 5.509 11.943 1.00 0.00 N ATOM 0 H LYS A 35 -6.512 0.800 12.011 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.919 2.738 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.100 3.109 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.161 1.749 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.966 3.287 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.828 4.661 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.150 3.546 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.244 3.055 12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.354 5.265 13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.506 5.922 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.850 6.468 12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.450 5.459 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.271 4.823 12.253 1.00 0.00 H new ATOM 566 N SER A 36 -5.178 3.635 13.111 1.00 0.00 N ATOM 567 CA SER A 36 -4.538 4.668 13.908 1.00 0.00 C ATOM 568 C SER A 36 -3.219 5.089 13.258 1.00 0.00 C ATOM 569 O SER A 36 -2.687 6.156 13.559 1.00 0.00 O ATOM 570 CB SER A 36 -4.294 4.186 15.340 1.00 0.00 C ATOM 571 OG SER A 36 -5.179 4.806 16.269 1.00 0.00 O ATOM 0 H SER A 36 -5.294 2.740 13.586 1.00 0.00 H new ATOM 0 HA SER A 36 -5.205 5.529 13.951 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.420 3.104 15.385 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.263 4.399 15.624 1.00 0.00 H new ATOM 0 HG SER A 36 -4.993 4.471 17.171 1.00 0.00 H new ATOM 577 N PHE A 37 -2.729 4.229 12.377 1.00 0.00 N ATOM 578 CA PHE A 37 -1.482 4.498 11.681 1.00 0.00 C ATOM 579 C PHE A 37 -1.737 4.845 10.213 1.00 0.00 C ATOM 580 O PHE A 37 -1.081 5.723 9.655 1.00 0.00 O ATOM 581 CB PHE A 37 -0.644 3.220 11.753 1.00 0.00 C ATOM 582 CG PHE A 37 -0.265 2.804 13.176 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.564 3.588 13.915 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.758 1.650 13.700 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.916 3.201 15.236 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.406 1.263 15.021 1.00 0.00 C ATOM 587 CZ PHE A 37 0.424 2.047 15.760 1.00 0.00 C ATOM 0 H PHE A 37 -3.173 3.345 12.129 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.973 5.344 12.143 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.198 2.407 11.283 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.267 3.362 11.172 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.955 4.504 13.498 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.417 1.028 13.112 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.574 3.823 15.824 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.797 0.347 15.438 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.692 1.753 16.764 1.00 0.00 H new ATOM 597 N TYR A 38 -2.693 4.137 9.628 1.00 0.00 N ATOM 598 CA TYR A 38 -3.043 4.358 8.236 1.00 0.00 C ATOM 599 C TYR A 38 -4.224 5.323 8.114 1.00 0.00 C ATOM 600 O TYR A 38 -4.252 6.165 7.218 1.00 0.00 O ATOM 601 CB TYR A 38 -3.456 2.993 7.682 1.00 0.00 C ATOM 602 CG TYR A 38 -2.330 2.247 6.963 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.892 2.682 5.729 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.753 1.138 7.549 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.833 1.979 5.052 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.694 0.435 6.872 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.286 0.891 5.657 1.00 0.00 C ATOM 608 OH TYR A 38 0.715 0.227 5.018 1.00 0.00 O ATOM 0 H TYR A 38 -3.236 3.410 10.094 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.203 4.792 7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.822 2.375 8.502 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.287 3.129 6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.343 3.550 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.096 0.798 8.515 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.481 2.309 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.234 -0.434 7.319 1.00 0.00 H new ATOM 0 HH TYR A 38 0.795 -0.678 5.386 1.00 0.00 H new ATOM 618 N GLY A 39 -5.170 5.168 9.029 1.00 0.00 N ATOM 619 CA GLY A 39 -6.350 6.015 9.035 1.00 0.00 C ATOM 620 C GLY A 39 -5.974 7.482 8.818 1.00 0.00 C ATOM 621 O GLY A 39 -4.794 7.830 8.814 1.00 0.00 O ATOM 0 H GLY A 39 -5.143 4.469 9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.037 5.693 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.875 5.907 9.984 1.00 0.00 H new ATOM 625 N SER A 40 -6.999 8.303 8.643 1.00 0.00 N ATOM 626 CA SER A 40 -6.791 9.725 8.426 1.00 0.00 C ATOM 627 C SER A 40 -5.575 10.203 9.223 1.00 0.00 C ATOM 628 O SER A 40 -5.549 10.092 10.448 1.00 0.00 O ATOM 629 CB SER A 40 -8.032 10.529 8.816 1.00 0.00 C ATOM 630 OG SER A 40 -8.083 11.788 8.150 1.00 0.00 O ATOM 0 H SER A 40 -7.976 8.011 8.647 1.00 0.00 H new ATOM 0 HA SER A 40 -6.607 9.886 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.927 9.955 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.037 10.689 9.894 1.00 0.00 H new ATOM 0 HG SER A 40 -8.984 11.933 7.794 1.00 0.00 H new ATOM 636 N GLY A 41 -4.599 10.726 8.496 1.00 0.00 N ATOM 637 CA GLY A 41 -3.384 11.222 9.120 1.00 0.00 C ATOM 638 C GLY A 41 -2.841 10.217 10.138 1.00 0.00 C ATOM 639 O GLY A 41 -3.265 10.208 11.293 1.00 0.00 O ATOM 0 H GLY A 41 -4.625 10.817 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.631 11.414 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.586 12.172 9.614 1.00 0.00 H new ATOM 643 N GLY A 42 -1.912 9.395 9.673 1.00 0.00 N ATOM 644 CA GLY A 42 -1.307 8.389 10.529 1.00 0.00 C ATOM 645 C GLY A 42 0.077 7.990 10.012 1.00 0.00 C ATOM 646 O GLY A 42 0.573 8.567 9.046 1.00 0.00 O ATOM 0 H GLY A 42 -1.563 9.405 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.222 8.774 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.950 7.510 10.574 1.00 0.00 H new ATOM 650 N ASP A 43 0.661 7.005 10.679 1.00 0.00 N ATOM 651 CA ASP A 43 1.978 6.522 10.299 1.00 0.00 C ATOM 652 C ASP A 43 2.084 6.491 8.773 1.00 0.00 C ATOM 653 O ASP A 43 3.033 7.028 8.203 1.00 0.00 O ATOM 654 CB ASP A 43 2.214 5.102 10.818 1.00 0.00 C ATOM 655 CG ASP A 43 3.621 4.837 11.359 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.909 5.347 12.464 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.376 4.132 10.656 1.00 0.00 O ATOM 0 H ASP A 43 0.246 6.528 11.480 1.00 0.00 H new ATOM 0 HA ASP A 43 2.721 7.192 10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.492 4.895 11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.013 4.398 10.011 1.00 0.00 H new ATOM 662 N TYR A 44 1.098 5.857 8.156 1.00 0.00 N ATOM 663 CA TYR A 44 1.069 5.750 6.707 1.00 0.00 C ATOM 664 C TYR A 44 -0.081 6.570 6.119 1.00 0.00 C ATOM 665 O TYR A 44 -1.012 6.014 5.539 1.00 0.00 O ATOM 666 CB TYR A 44 0.834 4.270 6.399 1.00 0.00 C ATOM 667 CG TYR A 44 1.377 3.318 7.466 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.736 3.102 7.571 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.508 2.675 8.324 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.248 2.206 8.575 1.00 0.00 C ATOM 671 CE2 TYR A 44 1.020 1.779 9.329 1.00 0.00 C ATOM 672 CZ TYR A 44 2.364 1.588 9.404 1.00 0.00 C ATOM 673 OH TYR A 44 2.847 0.742 10.353 1.00 0.00 O ATOM 0 H TYR A 44 0.313 5.412 8.633 1.00 0.00 H new ATOM 0 HA TYR A 44 1.997 6.125 6.276 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.236 4.099 6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.299 4.030 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.416 3.605 6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.556 2.844 8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.309 2.029 8.668 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.351 1.270 10.008 1.00 0.00 H new ATOM 0 HH TYR A 44 2.102 0.374 10.873 1.00 0.00 H new ATOM 683 N SER A 45 0.022 7.880 6.289 1.00 0.00 N ATOM 684 CA SER A 45 -0.998 8.783 5.782 1.00 0.00 C ATOM 685 C SER A 45 -0.930 8.844 4.255 1.00 0.00 C ATOM 686 O SER A 45 -1.950 9.024 3.592 1.00 0.00 O ATOM 687 CB SER A 45 -0.839 10.183 6.378 1.00 0.00 C ATOM 688 OG SER A 45 -0.408 11.131 5.405 1.00 0.00 O ATOM 0 H SER A 45 0.796 8.338 6.771 1.00 0.00 H new ATOM 0 HA SER A 45 -1.974 8.400 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.789 10.506 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.119 10.149 7.196 1.00 0.00 H new ATOM 0 HG SER A 45 -0.320 12.013 5.824 1.00 0.00 H new ATOM 694 N MET A 46 0.282 8.692 3.742 1.00 0.00 N ATOM 695 CA MET A 46 0.496 8.729 2.305 1.00 0.00 C ATOM 696 C MET A 46 0.178 7.374 1.669 1.00 0.00 C ATOM 697 O MET A 46 -0.280 7.312 0.529 1.00 0.00 O ATOM 698 CB MET A 46 1.952 9.100 2.015 1.00 0.00 C ATOM 699 CG MET A 46 2.913 8.124 2.696 1.00 0.00 C ATOM 700 SD MET A 46 4.118 9.024 3.656 1.00 0.00 S ATOM 701 CE MET A 46 3.039 9.845 4.817 1.00 0.00 C ATOM 0 H MET A 46 1.126 8.543 4.295 1.00 0.00 H new ATOM 0 HA MET A 46 -0.171 9.477 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.125 9.095 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.149 10.113 2.364 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.357 7.444 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.416 7.513 1.946 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.635 10.441 5.508 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.351 10.495 4.277 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.472 9.101 5.376 1.00 0.00 H new ATOM 711 N PHE A 47 0.434 6.322 2.433 1.00 0.00 N ATOM 712 CA PHE A 47 0.181 4.973 1.959 1.00 0.00 C ATOM 713 C PHE A 47 -1.320 4.684 1.903 1.00 0.00 C ATOM 714 O PHE A 47 -1.784 3.957 1.025 1.00 0.00 O ATOM 715 CB PHE A 47 0.836 4.017 2.958 1.00 0.00 C ATOM 716 CG PHE A 47 2.329 4.271 3.176 1.00 0.00 C ATOM 717 CD1 PHE A 47 2.967 5.231 2.455 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.017 3.536 4.090 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.353 5.467 2.657 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.403 3.772 4.292 1.00 0.00 C ATOM 721 CZ PHE A 47 5.042 4.732 3.572 1.00 0.00 C ATOM 0 H PHE A 47 0.814 6.377 3.378 1.00 0.00 H new ATOM 0 HA PHE A 47 0.585 4.850 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.321 4.099 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.699 2.994 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.420 5.814 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.510 2.773 4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.860 6.230 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.950 3.188 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.096 4.911 3.726 1.00 0.00 H new ATOM 731 N ALA A 48 -2.038 5.267 2.851 1.00 0.00 N ATOM 732 CA ALA A 48 -3.478 5.082 2.920 1.00 0.00 C ATOM 733 C ALA A 48 -4.084 5.301 1.533 1.00 0.00 C ATOM 734 O ALA A 48 -3.904 6.360 0.933 1.00 0.00 O ATOM 735 CB ALA A 48 -4.065 6.028 3.969 1.00 0.00 C ATOM 0 H ALA A 48 -1.650 5.868 3.578 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.719 4.064 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.145 5.889 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.624 5.811 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.845 7.059 3.693 1.00 0.00 H new ATOM 741 N GLY A 49 -4.790 4.283 1.063 1.00 0.00 N ATOM 742 CA GLY A 49 -5.423 4.351 -0.243 1.00 0.00 C ATOM 743 C GLY A 49 -4.425 4.795 -1.314 1.00 0.00 C ATOM 744 O GLY A 49 -4.764 5.586 -2.194 1.00 0.00 O ATOM 0 H GLY A 49 -4.938 3.407 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.832 3.375 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.260 5.048 -0.209 1.00 0.00 H new ATOM 748 N LYS A 50 -3.215 4.268 -1.205 1.00 0.00 N ATOM 749 CA LYS A 50 -2.165 4.600 -2.153 1.00 0.00 C ATOM 750 C LYS A 50 -1.063 3.541 -2.079 1.00 0.00 C ATOM 751 O LYS A 50 -0.900 2.881 -1.054 1.00 0.00 O ATOM 752 CB LYS A 50 -1.664 6.026 -1.920 1.00 0.00 C ATOM 753 CG LYS A 50 -2.647 7.052 -2.487 1.00 0.00 C ATOM 754 CD LYS A 50 -1.915 8.308 -2.964 1.00 0.00 C ATOM 755 CE LYS A 50 -1.374 9.110 -1.778 1.00 0.00 C ATOM 756 NZ LYS A 50 0.044 9.472 -2.002 1.00 0.00 N ATOM 0 H LYS A 50 -2.938 3.613 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.553 4.586 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.529 6.198 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.688 6.154 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.199 6.611 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.378 7.320 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.093 8.027 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.594 8.929 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.969 10.013 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.466 8.525 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.362 10.114 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.628 8.611 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.140 9.946 -2.923 1.00 0.00 H new ATOM 770 N ASP A 51 -0.335 3.412 -3.178 1.00 0.00 N ATOM 771 CA ASP A 51 0.747 2.445 -3.250 1.00 0.00 C ATOM 772 C ASP A 51 2.037 3.091 -2.740 1.00 0.00 C ATOM 773 O ASP A 51 2.583 3.986 -3.382 1.00 0.00 O ATOM 774 CB ASP A 51 0.984 1.991 -4.692 1.00 0.00 C ATOM 775 CG ASP A 51 2.002 0.860 -4.854 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.969 0.848 -4.062 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.789 0.032 -5.766 1.00 0.00 O ATOM 0 H ASP A 51 -0.473 3.961 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 51 0.471 1.584 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.033 1.668 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.319 2.848 -5.277 1.00 0.00 H new ATOM 782 N ALA A 52 2.486 2.610 -1.590 1.00 0.00 N ATOM 783 CA ALA A 52 3.702 3.129 -0.986 1.00 0.00 C ATOM 784 C ALA A 52 4.864 2.183 -1.294 1.00 0.00 C ATOM 785 O ALA A 52 5.440 1.585 -0.386 1.00 0.00 O ATOM 786 CB ALA A 52 3.486 3.317 0.517 1.00 0.00 C ATOM 0 H ALA A 52 2.030 1.867 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 52 3.951 4.104 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.398 3.706 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.670 4.021 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.236 2.358 0.971 1.00 0.00 H new ATOM 792 N SER A 53 5.173 2.076 -2.578 1.00 0.00 N ATOM 793 CA SER A 53 6.256 1.212 -3.017 1.00 0.00 C ATOM 794 C SER A 53 7.605 1.860 -2.699 1.00 0.00 C ATOM 795 O SER A 53 8.445 1.258 -2.031 1.00 0.00 O ATOM 796 CB SER A 53 6.151 0.914 -4.514 1.00 0.00 C ATOM 797 OG SER A 53 5.206 -0.117 -4.788 1.00 0.00 O ATOM 0 H SER A 53 4.693 2.573 -3.328 1.00 0.00 H new ATOM 0 HA SER A 53 6.178 0.267 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.862 1.821 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.129 0.620 -4.895 1.00 0.00 H new ATOM 0 HG SER A 53 4.421 -0.002 -4.213 1.00 0.00 H new ATOM 803 N ARG A 54 7.770 3.079 -3.191 1.00 0.00 N ATOM 804 CA ARG A 54 9.003 3.815 -2.967 1.00 0.00 C ATOM 805 C ARG A 54 9.216 4.051 -1.471 1.00 0.00 C ATOM 806 O ARG A 54 10.314 3.844 -0.956 1.00 0.00 O ATOM 807 CB ARG A 54 8.978 5.163 -3.691 1.00 0.00 C ATOM 808 CG ARG A 54 8.776 4.974 -5.195 1.00 0.00 C ATOM 809 CD ARG A 54 10.068 5.265 -5.963 1.00 0.00 C ATOM 810 NE ARG A 54 10.247 6.727 -6.116 1.00 0.00 N ATOM 811 CZ ARG A 54 11.218 7.292 -6.846 1.00 0.00 C ATOM 812 NH1 ARG A 54 12.104 6.522 -7.493 1.00 0.00 N ATOM 813 NH2 ARG A 54 11.304 8.626 -6.929 1.00 0.00 N ATOM 0 H ARG A 54 7.071 3.575 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 54 9.823 3.217 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.176 5.782 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.912 5.694 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.451 3.953 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.984 5.636 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.920 4.839 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.033 4.790 -6.943 1.00 0.00 H new ATOM 0 HE ARG A 54 9.590 7.342 -5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.039 5.506 -7.430 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.843 6.952 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.630 9.212 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.043 9.056 -7.485 1.00 0.00 H new ATOM 827 N ALA A 55 8.148 4.481 -0.814 1.00 0.00 N ATOM 828 CA ALA A 55 8.205 4.747 0.613 1.00 0.00 C ATOM 829 C ALA A 55 8.637 3.477 1.348 1.00 0.00 C ATOM 830 O ALA A 55 9.510 3.522 2.213 1.00 0.00 O ATOM 831 CB ALA A 55 6.846 5.263 1.091 1.00 0.00 C ATOM 0 H ALA A 55 7.239 4.652 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 55 8.942 5.520 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.889 5.463 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.599 6.182 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.081 4.512 0.892 1.00 0.00 H new ATOM 837 N LEU A 56 8.005 2.373 0.977 1.00 0.00 N ATOM 838 CA LEU A 56 8.313 1.092 1.590 1.00 0.00 C ATOM 839 C LEU A 56 9.791 0.767 1.367 1.00 0.00 C ATOM 840 O LEU A 56 10.509 0.444 2.313 1.00 0.00 O ATOM 841 CB LEU A 56 7.361 0.009 1.076 1.00 0.00 C ATOM 842 CG LEU A 56 6.091 -0.213 1.899 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.497 1.119 2.362 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.076 -1.055 1.124 1.00 0.00 C ATOM 0 H LEU A 56 7.281 2.339 0.259 1.00 0.00 H new ATOM 0 HA LEU A 56 8.155 1.138 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.070 0.263 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.907 -0.933 1.026 1.00 0.00 H new ATOM 0 HG LEU A 56 6.358 -0.774 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.595 0.932 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.224 1.647 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.248 1.728 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.182 -1.198 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.808 -0.543 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.513 -2.025 0.888 1.00 0.00 H new ATOM 856 N GLY A 57 10.203 0.865 0.112 1.00 0.00 N ATOM 857 CA GLY A 57 11.583 0.585 -0.247 1.00 0.00 C ATOM 858 C GLY A 57 12.550 1.386 0.628 1.00 0.00 C ATOM 859 O GLY A 57 13.065 0.873 1.620 1.00 0.00 O ATOM 0 H GLY A 57 9.605 1.134 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.783 -0.481 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.747 0.831 -1.296 1.00 0.00 H new ATOM 863 N LYS A 58 12.766 2.631 0.229 1.00 0.00 N ATOM 864 CA LYS A 58 13.662 3.507 0.964 1.00 0.00 C ATOM 865 C LYS A 58 13.233 3.553 2.432 1.00 0.00 C ATOM 866 O LYS A 58 14.035 3.874 3.307 1.00 0.00 O ATOM 867 CB LYS A 58 13.730 4.884 0.300 1.00 0.00 C ATOM 868 CG LYS A 58 14.079 4.760 -1.185 1.00 0.00 C ATOM 869 CD LYS A 58 13.103 5.563 -2.047 1.00 0.00 C ATOM 870 CE LYS A 58 13.625 5.707 -3.478 1.00 0.00 C ATOM 871 NZ LYS A 58 14.434 6.939 -3.613 1.00 0.00 N ATOM 0 H LYS A 58 12.336 3.054 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 58 14.680 3.117 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.772 5.393 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.477 5.498 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.096 5.115 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.054 3.711 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.131 5.069 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.953 6.550 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.228 4.838 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.788 5.736 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.781 7.021 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.848 7.766 -3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.243 6.896 -2.961 1.00 0.00 H new ATOM 885 N MET A 59 11.968 3.227 2.656 1.00 0.00 N ATOM 886 CA MET A 59 11.422 3.227 4.002 1.00 0.00 C ATOM 887 C MET A 59 11.182 4.655 4.497 1.00 0.00 C ATOM 888 O MET A 59 11.383 4.951 5.674 1.00 0.00 O ATOM 889 CB MET A 59 12.394 2.516 4.947 1.00 0.00 C ATOM 890 CG MET A 59 12.938 1.235 4.311 1.00 0.00 C ATOM 891 SD MET A 59 13.556 0.140 5.578 1.00 0.00 S ATOM 892 CE MET A 59 12.123 -0.896 5.818 1.00 0.00 C ATOM 0 H MET A 59 11.306 2.961 1.927 1.00 0.00 H new ATOM 0 HA MET A 59 10.467 2.703 3.986 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.220 3.183 5.194 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.888 2.276 5.882 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.152 0.739 3.742 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.735 1.478 3.608 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.285 -1.547 6.677 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.248 -0.271 5.996 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.960 -1.503 4.928 1.00 0.00 H new ATOM 902 N SER A 60 10.756 5.503 3.572 1.00 0.00 N ATOM 903 CA SER A 60 10.486 6.893 3.899 1.00 0.00 C ATOM 904 C SER A 60 8.976 7.131 3.968 1.00 0.00 C ATOM 905 O SER A 60 8.191 6.186 3.901 1.00 0.00 O ATOM 906 CB SER A 60 11.126 7.834 2.877 1.00 0.00 C ATOM 907 OG SER A 60 11.755 8.951 3.499 1.00 0.00 O ATOM 0 H SER A 60 10.591 5.254 2.597 1.00 0.00 H new ATOM 0 HA SER A 60 10.926 7.106 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.862 7.285 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.364 8.188 2.183 1.00 0.00 H new ATOM 0 HG SER A 60 12.153 9.526 2.813 1.00 0.00 H new ATOM 913 N LYS A 61 8.614 8.399 4.099 1.00 0.00 N ATOM 914 CA LYS A 61 7.213 8.773 4.177 1.00 0.00 C ATOM 915 C LYS A 61 6.939 9.917 3.198 1.00 0.00 C ATOM 916 O LYS A 61 6.189 10.840 3.510 1.00 0.00 O ATOM 917 CB LYS A 61 6.823 9.094 5.621 1.00 0.00 C ATOM 918 CG LYS A 61 7.372 10.457 6.047 1.00 0.00 C ATOM 919 CD LYS A 61 6.249 11.371 6.541 1.00 0.00 C ATOM 920 CE LYS A 61 6.792 12.447 7.484 1.00 0.00 C ATOM 921 NZ LYS A 61 7.076 11.871 8.818 1.00 0.00 N ATOM 0 H LYS A 61 9.268 9.180 4.153 1.00 0.00 H new ATOM 0 HA LYS A 61 6.580 7.938 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.737 9.089 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.206 8.320 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.112 10.324 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.884 10.926 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.758 11.843 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.493 10.778 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.701 12.879 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.068 13.256 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.214 12.639 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.276 11.277 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.938 11.291 8.769 1.00 0.00 H new ATOM 935 N ASN A 62 7.563 9.817 2.033 1.00 0.00 N ATOM 936 CA ASN A 62 7.396 10.832 1.006 1.00 0.00 C ATOM 937 C ASN A 62 6.026 10.664 0.347 1.00 0.00 C ATOM 938 O ASN A 62 5.584 9.543 0.102 1.00 0.00 O ATOM 939 CB ASN A 62 8.463 10.695 -0.082 1.00 0.00 C ATOM 940 CG ASN A 62 9.664 11.596 0.212 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.717 11.151 0.639 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.449 12.884 -0.041 1.00 0.00 N ATOM 0 H ASN A 62 8.184 9.050 1.778 1.00 0.00 H new ATOM 0 HA ASN A 62 7.487 11.809 1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.790 9.657 -0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.036 10.956 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.190 13.566 0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.543 13.189 -0.398 1.00 0.00 H new ATOM 949 N GLU A 63 5.391 11.796 0.080 1.00 0.00 N ATOM 950 CA GLU A 63 4.079 11.789 -0.546 1.00 0.00 C ATOM 951 C GLU A 63 4.207 11.505 -2.044 1.00 0.00 C ATOM 952 O GLU A 63 3.254 11.054 -2.677 1.00 0.00 O ATOM 953 CB GLU A 63 3.346 13.109 -0.298 1.00 0.00 C ATOM 954 CG GLU A 63 1.888 12.861 0.093 1.00 0.00 C ATOM 955 CD GLU A 63 1.065 12.413 -1.116 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.533 12.666 -2.247 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.015 11.827 -0.882 1.00 0.00 O ATOM 0 H GLU A 63 5.760 12.724 0.286 1.00 0.00 H new ATOM 0 HA GLU A 63 3.487 10.993 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.849 13.665 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.386 13.725 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.841 12.100 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.460 13.772 0.511 1.00 0.00 H new ATOM 964 N GLU A 64 5.393 11.781 -2.567 1.00 0.00 N ATOM 965 CA GLU A 64 5.657 11.561 -3.978 1.00 0.00 C ATOM 966 C GLU A 64 6.226 10.158 -4.199 1.00 0.00 C ATOM 967 O GLU A 64 6.166 9.628 -5.308 1.00 0.00 O ATOM 968 CB GLU A 64 6.603 12.630 -4.532 1.00 0.00 C ATOM 969 CG GLU A 64 6.350 13.984 -3.866 1.00 0.00 C ATOM 970 CD GLU A 64 5.188 14.717 -4.538 1.00 0.00 C ATOM 971 OE1 GLU A 64 5.321 15.004 -5.747 1.00 0.00 O ATOM 972 OE2 GLU A 64 4.192 14.974 -3.827 1.00 0.00 O ATOM 0 H GLU A 64 6.181 12.155 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 64 4.715 11.640 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.637 12.327 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.465 12.719 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.129 13.838 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.251 14.595 -3.922 1.00 0.00 H new ATOM 979 N ASP A 65 6.765 9.597 -3.127 1.00 0.00 N ATOM 980 CA ASP A 65 7.344 8.266 -3.190 1.00 0.00 C ATOM 981 C ASP A 65 6.272 7.269 -3.634 1.00 0.00 C ATOM 982 O ASP A 65 6.500 6.469 -4.540 1.00 0.00 O ATOM 983 CB ASP A 65 7.861 7.825 -1.819 1.00 0.00 C ATOM 984 CG ASP A 65 9.384 7.835 -1.669 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.043 8.344 -2.601 1.00 0.00 O ATOM 986 OD2 ASP A 65 9.854 7.334 -0.625 1.00 0.00 O ATOM 0 H ASP A 65 6.813 10.040 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 65 8.173 8.292 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.432 8.477 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.498 6.817 -1.617 1.00 0.00 H new ATOM 991 N VAL A 66 5.125 7.349 -2.975 1.00 0.00 N ATOM 992 CA VAL A 66 4.018 6.463 -3.291 1.00 0.00 C ATOM 993 C VAL A 66 4.015 6.172 -4.793 1.00 0.00 C ATOM 994 O VAL A 66 3.633 7.025 -5.593 1.00 0.00 O ATOM 995 CB VAL A 66 2.704 7.073 -2.798 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.501 6.304 -3.350 1.00 0.00 C ATOM 997 CG2 VAL A 66 2.664 7.128 -1.269 1.00 0.00 C ATOM 0 H VAL A 66 4.939 8.014 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 66 4.133 5.509 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 66 2.649 8.095 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.580 6.758 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.515 6.339 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.550 5.266 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.720 7.566 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.753 6.119 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.490 7.738 -0.905 1.00 0.00 H new ATOM 1007 N SER A 67 4.445 4.965 -5.130 1.00 0.00 N ATOM 1008 CA SER A 67 4.497 4.551 -6.522 1.00 0.00 C ATOM 1009 C SER A 67 3.595 3.334 -6.740 1.00 0.00 C ATOM 1010 O SER A 67 3.926 2.228 -6.315 1.00 0.00 O ATOM 1011 CB SER A 67 5.931 4.232 -6.948 1.00 0.00 C ATOM 1012 OG SER A 67 6.053 2.910 -7.465 1.00 0.00 O ATOM 0 H SER A 67 4.761 4.261 -4.463 1.00 0.00 H new ATOM 0 HA SER A 67 4.139 5.376 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.252 4.948 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.598 4.350 -6.094 1.00 0.00 H new ATOM 0 HG SER A 67 6.146 2.947 -8.440 1.00 0.00 H new ATOM 1018 N PRO A 68 2.444 3.586 -7.418 1.00 0.00 N ATOM 1019 CA PRO A 68 1.492 2.524 -7.698 1.00 0.00 C ATOM 1020 C PRO A 68 1.997 1.617 -8.822 1.00 0.00 C ATOM 1021 O PRO A 68 1.290 0.709 -9.256 1.00 0.00 O ATOM 1022 CB PRO A 68 0.197 3.238 -8.047 1.00 0.00 C ATOM 1023 CG PRO A 68 0.590 4.662 -8.404 1.00 0.00 C ATOM 1024 CD PRO A 68 2.019 4.883 -7.936 1.00 0.00 C ATOM 0 HA PRO A 68 1.346 1.856 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.305 2.750 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.496 3.223 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.512 4.821 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.082 5.375 -7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.658 5.211 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.069 5.653 -7.166 1.00 0.00 H new ATOM 1032 N SER A 69 3.217 1.894 -9.260 1.00 0.00 N ATOM 1033 CA SER A 69 3.824 1.115 -10.325 1.00 0.00 C ATOM 1034 C SER A 69 5.345 1.099 -10.160 1.00 0.00 C ATOM 1035 O SER A 69 5.937 2.090 -9.734 1.00 0.00 O ATOM 1036 CB SER A 69 3.445 1.670 -11.699 1.00 0.00 C ATOM 1037 OG SER A 69 4.573 2.199 -12.391 1.00 0.00 O ATOM 0 H SER A 69 3.801 2.647 -8.896 1.00 0.00 H new ATOM 0 HA SER A 69 3.447 0.094 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.991 0.879 -12.297 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.694 2.451 -11.580 1.00 0.00 H new ATOM 0 HG SER A 69 4.271 2.683 -13.188 1.00 0.00 H new ATOM 1043 N LEU A 70 5.935 -0.036 -10.505 1.00 0.00 N ATOM 1044 CA LEU A 70 7.375 -0.193 -10.400 1.00 0.00 C ATOM 1045 C LEU A 70 8.053 0.596 -11.522 1.00 0.00 C ATOM 1046 O LEU A 70 8.831 0.040 -12.295 1.00 0.00 O ATOM 1047 CB LEU A 70 7.752 -1.676 -10.377 1.00 0.00 C ATOM 1048 CG LEU A 70 7.350 -2.451 -9.121 1.00 0.00 C ATOM 1049 CD1 LEU A 70 7.826 -3.903 -9.197 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.854 -1.748 -7.859 1.00 0.00 C ATOM 0 H LEU A 70 5.441 -0.856 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 70 7.735 0.219 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.295 -2.160 -11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.832 -1.758 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 70 6.262 -2.472 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.527 -4.432 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.378 -4.388 -10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.912 -3.926 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.555 -2.319 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.941 -1.676 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.426 -0.747 -7.804 1.00 0.00 H new ATOM 1062 N GLU A 71 7.733 1.881 -11.574 1.00 0.00 N ATOM 1063 CA GLU A 71 8.302 2.753 -12.588 1.00 0.00 C ATOM 1064 C GLU A 71 9.302 3.722 -11.955 1.00 0.00 C ATOM 1065 O GLU A 71 9.186 4.935 -12.119 1.00 0.00 O ATOM 1066 CB GLU A 71 7.204 3.510 -13.338 1.00 0.00 C ATOM 1067 CG GLU A 71 6.389 4.384 -12.382 1.00 0.00 C ATOM 1068 CD GLU A 71 5.347 5.206 -13.143 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.776 6.060 -13.948 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.145 4.961 -12.902 1.00 0.00 O ATOM 0 H GLU A 71 7.087 2.339 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 71 8.833 2.137 -13.313 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.651 4.132 -14.113 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.545 2.801 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.892 3.755 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.056 5.051 -11.836 1.00 0.00 H new ATOM 1077 N GLY A 72 10.263 3.150 -11.244 1.00 0.00 N ATOM 1078 CA GLY A 72 11.283 3.948 -10.585 1.00 0.00 C ATOM 1079 C GLY A 72 11.882 3.197 -9.394 1.00 0.00 C ATOM 1080 O GLY A 72 12.981 3.517 -8.944 1.00 0.00 O ATOM 0 H GLY A 72 10.357 2.143 -11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.071 4.197 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.851 4.889 -10.246 1.00 0.00 H new ATOM 1084 N LEU A 73 11.133 2.213 -8.918 1.00 0.00 N ATOM 1085 CA LEU A 73 11.577 1.415 -7.788 1.00 0.00 C ATOM 1086 C LEU A 73 12.963 0.841 -8.088 1.00 0.00 C ATOM 1087 O LEU A 73 13.100 -0.067 -8.906 1.00 0.00 O ATOM 1088 CB LEU A 73 10.533 0.351 -7.441 1.00 0.00 C ATOM 1089 CG LEU A 73 9.441 0.778 -6.458 1.00 0.00 C ATOM 1090 CD1 LEU A 73 9.955 0.739 -5.018 1.00 0.00 C ATOM 1091 CD2 LEU A 73 8.877 2.151 -6.828 1.00 0.00 C ATOM 0 H LEU A 73 10.222 1.950 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 73 11.674 2.036 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.055 0.024 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.049 -0.515 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 73 8.621 0.064 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.160 1.047 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.270 -0.275 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.802 1.417 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.103 2.431 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.677 2.891 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.449 2.111 -7.830 1.00 0.00 H new ATOM 1103 N THR A 74 13.957 1.395 -7.409 1.00 0.00 N ATOM 1104 CA THR A 74 15.328 0.950 -7.592 1.00 0.00 C ATOM 1105 C THR A 74 15.566 -0.365 -6.847 1.00 0.00 C ATOM 1106 O THR A 74 14.654 -0.900 -6.218 1.00 0.00 O ATOM 1107 CB THR A 74 16.256 2.080 -7.142 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.150 2.072 -5.721 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.736 3.461 -7.546 1.00 0.00 C ATOM 0 H THR A 74 13.840 2.148 -6.731 1.00 0.00 H new ATOM 0 HA THR A 74 15.538 0.736 -8.640 1.00 0.00 H new ATOM 0 HB THR A 74 17.247 1.926 -7.568 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.971 2.981 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.432 4.227 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.646 3.513 -8.631 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.759 3.629 -7.093 1.00 0.00 H new ATOM 1117 N GLU A 75 16.796 -0.848 -6.942 1.00 0.00 N ATOM 1118 CA GLU A 75 17.165 -2.090 -6.285 1.00 0.00 C ATOM 1119 C GLU A 75 17.101 -1.925 -4.765 1.00 0.00 C ATOM 1120 O GLU A 75 16.622 -2.813 -4.061 1.00 0.00 O ATOM 1121 CB GLU A 75 18.555 -2.552 -6.728 1.00 0.00 C ATOM 1122 CG GLU A 75 18.462 -3.800 -7.608 1.00 0.00 C ATOM 1123 CD GLU A 75 19.568 -4.799 -7.262 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.718 -4.537 -7.673 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.237 -5.802 -6.593 1.00 0.00 O ATOM 0 H GLU A 75 17.550 -0.401 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 75 16.451 -2.860 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.051 -1.751 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.168 -2.765 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.488 -4.271 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.539 -3.516 -8.657 1.00 0.00 H new ATOM 1132 N LYS A 76 17.590 -0.783 -4.304 1.00 0.00 N ATOM 1133 CA LYS A 76 17.594 -0.492 -2.880 1.00 0.00 C ATOM 1134 C LYS A 76 16.181 -0.677 -2.322 1.00 0.00 C ATOM 1135 O LYS A 76 15.992 -1.357 -1.314 1.00 0.00 O ATOM 1136 CB LYS A 76 18.180 0.897 -2.620 1.00 0.00 C ATOM 1137 CG LYS A 76 17.072 1.927 -2.392 1.00 0.00 C ATOM 1138 CD LYS A 76 17.655 3.276 -1.967 1.00 0.00 C ATOM 1139 CE LYS A 76 18.160 4.062 -3.180 1.00 0.00 C ATOM 1140 NZ LYS A 76 19.523 4.582 -2.930 1.00 0.00 N ATOM 0 H LYS A 76 17.986 -0.049 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 76 18.241 -1.191 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.834 0.862 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.795 1.201 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.491 2.050 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.387 1.565 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.895 3.856 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.474 3.118 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.165 3.420 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.482 4.889 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.850 5.112 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.508 5.211 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.170 3.788 -2.749 1.00 0.00 H new ATOM 1154 N GLU A 77 15.225 -0.060 -3.001 1.00 0.00 N ATOM 1155 CA GLU A 77 13.836 -0.149 -2.586 1.00 0.00 C ATOM 1156 C GLU A 77 13.229 -1.478 -3.040 1.00 0.00 C ATOM 1157 O GLU A 77 12.479 -2.108 -2.297 1.00 0.00 O ATOM 1158 CB GLU A 77 13.027 1.034 -3.121 1.00 0.00 C ATOM 1159 CG GLU A 77 13.620 1.556 -4.431 1.00 0.00 C ATOM 1160 CD GLU A 77 12.765 2.686 -5.009 1.00 0.00 C ATOM 1161 OE1 GLU A 77 11.687 2.936 -4.428 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.210 3.275 -6.018 1.00 0.00 O ATOM 0 H GLU A 77 15.385 0.504 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 77 13.800 -0.109 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.993 0.729 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.012 1.834 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.634 1.915 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.689 0.742 -5.153 1.00 0.00 H new ATOM 1169 N ILE A 78 13.578 -1.865 -4.259 1.00 0.00 N ATOM 1170 CA ILE A 78 13.077 -3.107 -4.821 1.00 0.00 C ATOM 1171 C ILE A 78 13.345 -4.250 -3.840 1.00 0.00 C ATOM 1172 O ILE A 78 12.603 -5.231 -3.806 1.00 0.00 O ATOM 1173 CB ILE A 78 13.666 -3.341 -6.214 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.999 -2.435 -7.251 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.582 -4.818 -6.604 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.988 -3.217 -8.092 1.00 0.00 C ATOM 0 H ILE A 78 14.201 -1.340 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 78 11.997 -3.053 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 78 14.723 -3.075 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.497 -1.608 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.758 -1.999 -7.901 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.007 -4.957 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.140 -5.417 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.539 -5.134 -6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.528 -2.550 -8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.498 -4.028 -8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.217 -3.631 -7.442 1.00 0.00 H new ATOM 1188 N ASN A 79 14.408 -4.087 -3.067 1.00 0.00 N ATOM 1189 CA ASN A 79 14.784 -5.093 -2.088 1.00 0.00 C ATOM 1190 C ASN A 79 13.904 -4.942 -0.845 1.00 0.00 C ATOM 1191 O ASN A 79 13.366 -5.926 -0.339 1.00 0.00 O ATOM 1192 CB ASN A 79 16.242 -4.925 -1.657 1.00 0.00 C ATOM 1193 CG ASN A 79 17.164 -5.829 -2.480 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.075 -7.045 -2.447 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.051 -5.168 -3.217 1.00 0.00 N ATOM 0 H ASN A 79 15.022 -3.273 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 79 14.654 -6.074 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.543 -3.885 -1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.342 -5.164 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.711 -5.680 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.071 -4.148 -3.198 1.00 0.00 H new ATOM 1202 N THR A 80 13.785 -3.704 -0.390 1.00 0.00 N ATOM 1203 CA THR A 80 12.979 -3.412 0.783 1.00 0.00 C ATOM 1204 C THR A 80 11.491 -3.431 0.427 1.00 0.00 C ATOM 1205 O THR A 80 10.690 -4.048 1.127 1.00 0.00 O ATOM 1206 CB THR A 80 13.449 -2.075 1.359 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.757 -2.349 1.853 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.660 -1.663 2.603 1.00 0.00 C ATOM 0 H THR A 80 14.233 -2.891 -0.813 1.00 0.00 H new ATOM 0 HA THR A 80 13.107 -4.176 1.550 1.00 0.00 H new ATOM 0 HB THR A 80 13.357 -1.300 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.137 -1.534 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.034 -0.708 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.605 -1.566 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.779 -2.421 3.377 1.00 0.00 H new ATOM 1216 N LEU A 81 11.167 -2.748 -0.660 1.00 0.00 N ATOM 1217 CA LEU A 81 9.790 -2.679 -1.118 1.00 0.00 C ATOM 1218 C LEU A 81 9.248 -4.097 -1.307 1.00 0.00 C ATOM 1219 O LEU A 81 8.233 -4.462 -0.716 1.00 0.00 O ATOM 1220 CB LEU A 81 9.684 -1.808 -2.371 1.00 0.00 C ATOM 1221 CG LEU A 81 8.458 -2.049 -3.254 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.714 -3.183 -4.249 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.212 -2.302 -2.405 1.00 0.00 C ATOM 0 H LEU A 81 11.835 -2.237 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 81 9.164 -2.195 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.686 -0.762 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.578 -1.964 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 81 8.273 -1.146 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.827 -3.334 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.559 -2.923 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.939 -4.100 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.355 -2.470 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.370 -3.181 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.021 -1.436 -1.772 1.00 0.00 H new ATOM 1235 N ASN A 82 9.950 -4.859 -2.134 1.00 0.00 N ATOM 1236 CA ASN A 82 9.552 -6.229 -2.408 1.00 0.00 C ATOM 1237 C ASN A 82 9.325 -6.965 -1.086 1.00 0.00 C ATOM 1238 O ASN A 82 8.415 -7.785 -0.976 1.00 0.00 O ATOM 1239 CB ASN A 82 10.641 -6.974 -3.183 1.00 0.00 C ATOM 1240 CG ASN A 82 10.636 -6.572 -4.659 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.532 -5.408 -5.012 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.755 -7.596 -5.499 1.00 0.00 N ATOM 0 H ASN A 82 10.791 -4.553 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 82 8.639 -6.202 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.616 -6.757 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.484 -8.049 -3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.763 -7.432 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.838 -8.546 -5.137 1.00 0.00 H new ATOM 1249 N ASP A 83 10.168 -6.644 -0.115 1.00 0.00 N ATOM 1250 CA ASP A 83 10.071 -7.264 1.195 1.00 0.00 C ATOM 1251 C ASP A 83 8.844 -6.715 1.925 1.00 0.00 C ATOM 1252 O ASP A 83 8.179 -7.441 2.663 1.00 0.00 O ATOM 1253 CB ASP A 83 11.305 -6.953 2.044 1.00 0.00 C ATOM 1254 CG ASP A 83 11.853 -8.135 2.846 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.232 -8.454 3.884 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.880 -8.694 2.404 1.00 0.00 O ATOM 0 H ASP A 83 10.921 -5.963 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 83 9.993 -8.342 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.093 -6.581 1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.058 -6.147 2.736 1.00 0.00 H new ATOM 1261 N TRP A 84 8.580 -5.437 1.693 1.00 0.00 N ATOM 1262 CA TRP A 84 7.444 -4.782 2.319 1.00 0.00 C ATOM 1263 C TRP A 84 6.175 -5.519 1.886 1.00 0.00 C ATOM 1264 O TRP A 84 5.293 -5.777 2.703 1.00 0.00 O ATOM 1265 CB TRP A 84 7.415 -3.291 1.978 1.00 0.00 C ATOM 1266 CG TRP A 84 8.098 -2.402 3.019 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.176 -1.623 2.858 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.702 -2.230 4.396 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.503 -0.964 4.026 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.578 -1.346 4.991 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.639 -2.803 5.116 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.481 -0.955 6.332 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.555 -2.403 6.455 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.430 -1.514 7.069 1.00 0.00 C ATOM 0 H TRP A 84 9.133 -4.838 1.080 1.00 0.00 H new ATOM 0 HA TRP A 84 7.521 -4.831 3.405 1.00 0.00 H new ATOM 0 HB2 TRP A 84 7.898 -3.140 1.013 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.378 -2.974 1.868 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.721 -1.523 1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.280 -0.316 4.157 1.00 0.00 H new ATOM 0 HE3 TRP A 84 5.942 -3.497 4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.179 -0.260 6.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.755 -2.814 7.053 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.300 -1.256 8.110 1.00 0.00 H new ATOM 1285 N GLU A 85 6.124 -5.838 0.601 1.00 0.00 N ATOM 1286 CA GLU A 85 4.977 -6.540 0.049 1.00 0.00 C ATOM 1287 C GLU A 85 4.846 -7.925 0.687 1.00 0.00 C ATOM 1288 O GLU A 85 3.751 -8.336 1.066 1.00 0.00 O ATOM 1289 CB GLU A 85 5.080 -6.645 -1.474 1.00 0.00 C ATOM 1290 CG GLU A 85 4.822 -8.079 -1.943 1.00 0.00 C ATOM 1291 CD GLU A 85 4.961 -8.191 -3.463 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.098 -8.449 -3.912 1.00 0.00 O ATOM 1293 OE2 GLU A 85 3.925 -8.017 -4.141 1.00 0.00 O ATOM 0 H GLU A 85 6.858 -5.623 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 85 4.079 -5.968 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.360 -5.971 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.070 -6.325 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.526 -8.756 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.822 -8.390 -1.642 1.00 0.00 H new ATOM 1300 N THR A 86 5.979 -8.606 0.785 1.00 0.00 N ATOM 1301 CA THR A 86 6.004 -9.936 1.370 1.00 0.00 C ATOM 1302 C THR A 86 5.617 -9.875 2.849 1.00 0.00 C ATOM 1303 O THR A 86 4.986 -10.795 3.367 1.00 0.00 O ATOM 1304 CB THR A 86 7.392 -10.532 1.129 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.311 -11.083 -0.183 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.674 -11.740 2.024 1.00 0.00 C ATOM 0 H THR A 86 6.886 -8.262 0.469 1.00 0.00 H new ATOM 0 HA THR A 86 5.268 -10.589 0.901 1.00 0.00 H new ATOM 0 HB THR A 86 8.150 -9.768 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.171 -11.489 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.672 -12.124 1.813 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.615 -11.439 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.936 -12.518 1.828 1.00 0.00 H new ATOM 1314 N LYS A 87 6.011 -8.783 3.486 1.00 0.00 N ATOM 1315 CA LYS A 87 5.713 -8.590 4.895 1.00 0.00 C ATOM 1316 C LYS A 87 4.228 -8.262 5.058 1.00 0.00 C ATOM 1317 O LYS A 87 3.569 -8.780 5.958 1.00 0.00 O ATOM 1318 CB LYS A 87 6.645 -7.539 5.501 1.00 0.00 C ATOM 1319 CG LYS A 87 8.107 -7.982 5.406 1.00 0.00 C ATOM 1320 CD LYS A 87 9.043 -6.774 5.347 1.00 0.00 C ATOM 1321 CE LYS A 87 10.293 -7.006 6.199 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.058 -6.568 7.593 1.00 0.00 N ATOM 0 H LYS A 87 6.534 -8.022 3.053 1.00 0.00 H new ATOM 0 HA LYS A 87 5.900 -9.508 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.515 -6.590 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.379 -7.371 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.360 -8.601 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.247 -8.599 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.333 -6.584 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.519 -5.886 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.560 -8.063 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.135 -6.458 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.916 -6.732 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.825 -5.554 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.268 -7.109 7.998 1.00 0.00 H new ATOM 1336 N PHE A 88 3.744 -7.403 4.173 1.00 0.00 N ATOM 1337 CA PHE A 88 2.348 -7.000 4.207 1.00 0.00 C ATOM 1338 C PHE A 88 1.432 -8.161 3.817 1.00 0.00 C ATOM 1339 O PHE A 88 0.403 -8.385 4.452 1.00 0.00 O ATOM 1340 CB PHE A 88 2.184 -5.871 3.187 1.00 0.00 C ATOM 1341 CG PHE A 88 2.283 -4.468 3.790 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.236 -4.193 4.721 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.417 -3.496 3.396 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.327 -2.891 5.280 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.508 -2.194 3.956 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.461 -1.920 4.886 1.00 0.00 C ATOM 0 H PHE A 88 4.294 -6.975 3.428 1.00 0.00 H new ATOM 0 HA PHE A 88 2.077 -6.682 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.947 -5.978 2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.217 -5.977 2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.923 -4.965 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.660 -3.714 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.084 -2.672 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.821 -1.422 3.643 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.530 -0.930 5.312 1.00 0.00 H new ATOM 1356 N GLU A 89 1.839 -8.869 2.773 1.00 0.00 N ATOM 1357 CA GLU A 89 1.068 -10.002 2.291 1.00 0.00 C ATOM 1358 C GLU A 89 1.191 -11.180 3.260 1.00 0.00 C ATOM 1359 O GLU A 89 0.365 -12.091 3.243 1.00 0.00 O ATOM 1360 CB GLU A 89 1.506 -10.403 0.881 1.00 0.00 C ATOM 1361 CG GLU A 89 2.658 -11.409 0.931 1.00 0.00 C ATOM 1362 CD GLU A 89 2.157 -12.830 0.666 1.00 0.00 C ATOM 1363 OE1 GLU A 89 1.630 -13.048 -0.446 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.313 -13.667 1.582 1.00 0.00 O ATOM 0 H GLU A 89 2.693 -8.680 2.248 1.00 0.00 H new ATOM 0 HA GLU A 89 0.020 -9.708 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.663 -10.837 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.816 -9.517 0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.412 -11.141 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.141 -11.366 1.907 1.00 0.00 H new ATOM 1371 N ALA A 90 2.229 -11.123 4.081 1.00 0.00 N ATOM 1372 CA ALA A 90 2.471 -12.173 5.055 1.00 0.00 C ATOM 1373 C ALA A 90 1.842 -11.778 6.392 1.00 0.00 C ATOM 1374 O ALA A 90 1.749 -12.597 7.305 1.00 0.00 O ATOM 1375 CB ALA A 90 3.976 -12.426 5.170 1.00 0.00 C ATOM 0 H ALA A 90 2.912 -10.366 4.092 1.00 0.00 H new ATOM 0 HA ALA A 90 2.007 -13.106 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.158 -13.214 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.368 -12.733 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.475 -11.512 5.491 1.00 0.00 H new ATOM 1381 N LYS A 91 1.426 -10.522 6.466 1.00 0.00 N ATOM 1382 CA LYS A 91 0.809 -10.008 7.677 1.00 0.00 C ATOM 1383 C LYS A 91 -0.604 -9.517 7.354 1.00 0.00 C ATOM 1384 O LYS A 91 -1.587 -10.155 7.728 1.00 0.00 O ATOM 1385 CB LYS A 91 1.698 -8.942 8.321 1.00 0.00 C ATOM 1386 CG LYS A 91 2.775 -9.584 9.198 1.00 0.00 C ATOM 1387 CD LYS A 91 2.791 -8.956 10.593 1.00 0.00 C ATOM 1388 CE LYS A 91 2.219 -9.919 11.635 1.00 0.00 C ATOM 1389 NZ LYS A 91 1.731 -9.173 12.817 1.00 0.00 N ATOM 0 H LYS A 91 1.504 -9.845 5.707 1.00 0.00 H new ATOM 0 HA LYS A 91 0.711 -10.799 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.168 -8.338 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.087 -8.269 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.592 -10.655 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.751 -9.462 8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.812 -8.687 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.210 -8.034 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.403 -10.494 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.985 -10.633 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.346 -9.841 13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.518 -8.643 13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.985 -8.509 12.525 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.660 -8.387 6.664 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.937 -7.803 6.287 1.00 0.00 C ATOM 1405 C TYR A 92 -2.698 -8.722 5.329 1.00 0.00 C ATOM 1406 O TYR A 92 -2.098 -9.355 4.463 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.605 -6.495 5.566 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.146 -5.371 6.496 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.806 -5.149 7.688 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.073 -4.578 6.144 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.373 -4.091 8.564 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.359 -3.520 7.019 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.312 -3.328 8.186 1.00 0.00 C ATOM 1414 OH TYR A 92 0.096 -2.329 9.013 1.00 0.00 O ATOM 0 H TYR A 92 0.158 -7.860 6.356 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.564 -7.649 7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.824 -6.686 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.485 -6.161 5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.647 -5.768 7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.443 -4.751 5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.879 -3.907 9.500 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.197 -2.893 6.755 1.00 0.00 H new ATOM 0 HH TYR A 92 0.864 -1.868 8.615 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.043 -8.765 5.522 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.893 -9.595 4.685 1.00 0.00 C ATOM 1426 C PRO A 93 -5.077 -8.971 3.301 1.00 0.00 C ATOM 1427 O PRO A 93 -5.257 -7.760 3.181 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.197 -9.726 5.456 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.198 -8.592 6.468 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.789 -8.028 6.538 1.00 0.00 C ATOM 0 HA PRO A 93 -4.461 -10.576 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.055 -9.654 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.261 -10.694 5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.905 -7.817 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.513 -8.954 7.447 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.781 -6.957 6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.355 -8.169 7.528 1.00 0.00 H new ATOM 1438 N VAL A 94 -5.026 -9.825 2.290 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.184 -9.372 0.918 1.00 0.00 C ATOM 1440 C VAL A 94 -6.655 -9.493 0.513 1.00 0.00 C ATOM 1441 O VAL A 94 -7.169 -10.598 0.349 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.245 -10.153 -0.003 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.262 -9.577 -1.420 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.823 -10.181 0.561 1.00 0.00 C ATOM 0 H VAL A 94 -4.877 -10.829 2.393 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.906 -8.322 0.828 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.605 -11.180 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.586 -10.151 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.273 -9.633 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.939 -8.536 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.175 -10.742 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.450 -9.161 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.829 -10.659 1.540 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.291 -8.340 0.364 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.692 -8.302 -0.019 1.00 0.00 C ATOM 1456 C VAL A 95 -8.799 -8.292 -1.545 1.00 0.00 C ATOM 1457 O VAL A 95 -9.891 -8.426 -2.096 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.381 -7.104 0.637 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.275 -7.177 2.161 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.809 -5.786 0.110 1.00 0.00 C ATOM 0 H VAL A 95 -6.862 -7.425 0.502 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.210 -9.193 0.337 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.438 -7.140 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.773 -6.314 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.752 -8.091 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.225 -7.179 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.316 -4.950 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.742 -5.739 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.960 -5.729 -0.968 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.650 -8.131 -2.186 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.601 -8.101 -3.638 1.00 0.00 C ATOM 1472 C GLY A 96 -6.261 -7.551 -4.130 1.00 0.00 C ATOM 1473 O GLY A 96 -5.363 -7.288 -3.332 1.00 0.00 O ATOM 0 H GLY A 96 -6.746 -8.020 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.752 -9.106 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.414 -7.484 -4.020 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.168 -7.395 -5.443 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.952 -6.881 -6.051 1.00 0.00 C ATOM 1479 C ARG A 97 -5.263 -5.644 -6.896 1.00 0.00 C ATOM 1480 O ARG A 97 -6.290 -5.592 -7.572 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.289 -7.940 -6.934 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.900 -7.946 -8.336 1.00 0.00 C ATOM 1483 CD ARG A 97 -3.909 -7.407 -9.369 1.00 0.00 C ATOM 1484 NE ARG A 97 -4.519 -7.430 -10.717 1.00 0.00 N ATOM 1485 CZ ARG A 97 -4.701 -8.543 -11.441 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -4.320 -9.731 -10.950 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -5.263 -8.469 -12.655 1.00 0.00 N ATOM 0 H ARG A 97 -6.914 -7.615 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.266 -6.613 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.219 -7.745 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.406 -8.923 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.194 -8.961 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.805 -7.339 -8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.619 -6.389 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.000 -8.009 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.820 -6.543 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.892 -9.787 -10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.458 -10.578 -11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.553 -7.565 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.401 -9.316 -13.206 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.358 -4.679 -6.830 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.523 -3.446 -7.581 1.00 0.00 C ATOM 1503 C VAL A 98 -4.611 -3.771 -9.073 1.00 0.00 C ATOM 1504 O VAL A 98 -3.690 -4.356 -9.641 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.389 -2.475 -7.247 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.319 -1.340 -8.271 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.539 -1.924 -5.827 1.00 0.00 C ATOM 0 H VAL A 98 -3.508 -4.726 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.452 -2.949 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.451 -3.027 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.505 -0.664 -8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.142 -1.755 -9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.260 -0.791 -8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.720 -1.236 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.488 -1.395 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.516 -2.747 -5.113 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.729 -3.376 -9.667 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.950 -3.618 -11.082 1.00 0.00 C ATOM 1519 C VAL A 99 -5.736 -2.316 -11.857 1.00 0.00 C ATOM 1520 O VAL A 99 -4.886 -2.249 -12.743 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.339 -4.222 -11.299 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.259 -5.744 -11.437 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.293 -3.822 -10.172 1.00 0.00 C ATOM 0 H VAL A 99 -6.491 -2.890 -9.193 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.232 -4.344 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.737 -3.822 -12.232 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.259 -6.149 -11.590 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.630 -5.999 -12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.831 -6.170 -10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.273 -4.264 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.901 -4.180 -9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.385 -2.736 -10.141 1.00 0.00 H new ATOM 1533 N SER A 100 -6.523 -1.313 -11.494 1.00 0.00 N ATOM 1534 CA SER A 100 -6.431 -0.017 -12.144 1.00 0.00 C ATOM 1535 C SER A 100 -6.521 -0.185 -13.662 1.00 0.00 C ATOM 1536 O SER A 100 -7.249 0.548 -14.330 1.00 0.00 O ATOM 1537 CB SER A 100 -5.132 0.698 -11.766 1.00 0.00 C ATOM 1538 OG SER A 100 -5.191 2.094 -12.044 1.00 0.00 O ATOM 0 H SER A 100 -7.227 -1.372 -10.758 1.00 0.00 H new ATOM 0 HA SER A 100 -7.265 0.596 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.931 0.548 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.301 0.254 -12.314 1.00 0.00 H new ATOM 0 HG SER A 100 -4.344 2.515 -11.787 1.00 0.00 H new