USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 639 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 55 MET CE :methyl -179:sc= -0.53 (180deg=-0.483) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -150:sc= -0.653 (180deg=-0.293) USER MOD Set 2.1: A 48 CYS SG : rot -8:sc= -5.38! USER MOD Set 2.2: A 51 THR OG1 : rot 95:sc= -0.867! USER MOD Set 2.3: A 62 CYS SG : rot -162:sc= 0.565 USER MOD Set 3.1: A 6 GLN :FLIP amide:sc= 0.0857 F(o=-0.56!,f=0.11) USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= 0.0292 F(o=-0.56,f=0.11) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.51! C(o=-1.5!,f=-3.1!) USER MOD Single : A 22 THR OG1 : rot -170:sc= -2.09! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 44 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.112 K(o=0.11,f=-2.6!) USER MOD Single : A 56 SER OG : rot -12:sc= 0.878 USER MOD Single : A 58 SER OG : rot 180:sc= 0.226 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 36:sc= -0.0418 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0291 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -17.162 6.547 -0.982 1.00 0.00 N ATOM 63 CA GLN A 6 -15.901 7.239 -1.215 1.00 0.00 C ATOM 64 C GLN A 6 -14.755 6.242 -1.398 1.00 0.00 C ATOM 65 O GLN A 6 -14.628 5.287 -0.634 1.00 0.00 O ATOM 66 CB GLN A 6 -15.587 8.186 -0.055 1.00 0.00 C ATOM 67 CG GLN A 6 -15.494 7.490 1.294 1.00 0.00 C ATOM 68 CD GLN A 6 -15.101 8.429 2.424 1.00 0.00 C ATOM 69 OE1 GLN A 6 -14.840 9.692 2.097 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -15.030 8.020 3.583 1.00 0.00 N flip ATOM 0 HA GLN A 6 -16.003 7.821 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.644 8.694 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.359 8.954 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.456 7.033 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.764 6.683 1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.238 7.044 3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.763 8.657 4.333 1.00 0.00 H new ATOM 79 N PRO A 7 -13.903 6.455 -2.418 1.00 0.00 N ATOM 80 CA PRO A 7 -12.764 5.573 -2.694 1.00 0.00 C ATOM 81 C PRO A 7 -11.750 5.563 -1.551 1.00 0.00 C ATOM 82 O PRO A 7 -11.565 6.572 -0.871 1.00 0.00 O ATOM 83 CB PRO A 7 -12.138 6.169 -3.959 1.00 0.00 C ATOM 84 CG PRO A 7 -12.606 7.583 -3.989 1.00 0.00 C ATOM 85 CD PRO A 7 -13.977 7.571 -3.378 1.00 0.00 C ATOM 0 HA PRO A 7 -13.076 4.535 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.050 6.114 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.457 5.628 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.933 8.230 -3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.636 7.964 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.206 8.515 -2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.751 7.408 -4.128 1.00 0.00 H new ATOM 93 N PRO A 8 -11.079 4.418 -1.325 1.00 0.00 N ATOM 94 CA PRO A 8 -10.082 4.285 -0.259 1.00 0.00 C ATOM 95 C PRO A 8 -9.069 5.426 -0.267 1.00 0.00 C ATOM 96 O PRO A 8 -8.677 5.913 -1.327 1.00 0.00 O ATOM 97 CB PRO A 8 -9.391 2.959 -0.582 1.00 0.00 C ATOM 98 CG PRO A 8 -10.416 2.169 -1.318 1.00 0.00 C ATOM 99 CD PRO A 8 -11.239 3.165 -2.090 1.00 0.00 C ATOM 0 HA PRO A 8 -10.538 4.315 0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.499 3.115 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.073 2.447 0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.946 1.450 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.039 1.601 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.881 3.272 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.284 2.862 -2.148 1.00 0.00 H new ATOM 107 N LEU A 9 -8.654 5.852 0.923 1.00 0.00 N ATOM 108 CA LEU A 9 -7.691 6.939 1.055 1.00 0.00 C ATOM 109 C LEU A 9 -6.631 6.603 2.099 1.00 0.00 C ATOM 110 O LEU A 9 -6.922 6.539 3.293 1.00 0.00 O ATOM 111 CB LEU A 9 -8.412 8.230 1.452 1.00 0.00 C ATOM 112 CG LEU A 9 -7.506 9.445 1.665 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.912 9.912 0.344 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.276 10.571 2.339 1.00 0.00 C ATOM 0 H LEU A 9 -8.970 5.460 1.810 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.199 7.077 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.141 8.472 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.970 8.048 2.371 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.685 9.152 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.271 10.776 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.323 9.107 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.715 10.188 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.617 11.427 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.118 10.863 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.646 10.231 3.306 1.00 0.00 H new ATOM 126 N VAL A 10 -5.399 6.398 1.643 1.00 0.00 N ATOM 127 CA VAL A 10 -4.296 6.077 2.542 1.00 0.00 C ATOM 128 C VAL A 10 -3.786 7.333 3.244 1.00 0.00 C ATOM 129 O VAL A 10 -3.514 8.346 2.600 1.00 0.00 O ATOM 130 CB VAL A 10 -3.134 5.407 1.784 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.997 5.058 2.734 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.625 4.169 1.050 1.00 0.00 C ATOM 0 H VAL A 10 -5.140 6.448 0.658 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.678 5.379 3.287 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.750 6.114 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.188 4.586 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.628 5.967 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.360 4.371 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.793 3.707 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.036 3.460 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.398 4.452 0.336 1.00 0.00 H new ATOM 142 N THR A 11 -3.661 7.258 4.568 1.00 0.00 N ATOM 143 CA THR A 11 -3.189 8.391 5.362 1.00 0.00 C ATOM 144 C THR A 11 -2.471 7.917 6.623 1.00 0.00 C ATOM 145 O THR A 11 -2.742 8.407 7.720 1.00 0.00 O ATOM 146 CB THR A 11 -4.350 9.315 5.785 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.312 8.575 6.547 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.031 9.942 4.579 1.00 0.00 C ATOM 0 H THR A 11 -3.880 6.424 5.113 1.00 0.00 H new ATOM 0 HA THR A 11 -2.499 8.946 4.727 1.00 0.00 H new ATOM 0 HB THR A 11 -3.932 10.116 6.395 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.045 9.169 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.844 10.586 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.307 10.533 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.432 9.157 3.938 1.00 0.00 H new ATOM 156 N GLY A 12 -1.558 6.962 6.468 1.00 0.00 N ATOM 157 CA GLY A 12 -0.832 6.454 7.617 1.00 0.00 C ATOM 158 C GLY A 12 0.196 5.398 7.258 1.00 0.00 C ATOM 159 O GLY A 12 -0.015 4.595 6.348 1.00 0.00 O ATOM 0 H GLY A 12 -1.310 6.535 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.332 7.283 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.542 6.033 8.329 1.00 0.00 H new ATOM 163 N ILE A 13 1.308 5.402 7.986 1.00 0.00 N ATOM 164 CA ILE A 13 2.385 4.442 7.765 1.00 0.00 C ATOM 165 C ILE A 13 3.335 4.425 8.958 1.00 0.00 C ATOM 166 O ILE A 13 3.816 5.470 9.394 1.00 0.00 O ATOM 167 CB ILE A 13 3.178 4.769 6.479 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.293 3.742 6.263 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.751 6.180 6.546 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.009 3.898 4.939 1.00 0.00 C ATOM 0 H ILE A 13 1.488 6.065 8.740 1.00 0.00 H new ATOM 0 HA ILE A 13 1.929 3.459 7.648 1.00 0.00 H new ATOM 0 HB ILE A 13 2.496 4.719 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.018 3.830 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.869 2.739 6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.306 6.391 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.938 6.898 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.420 6.261 7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.786 3.138 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.295 3.781 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.462 4.888 4.885 1.00 0.00 H new ATOM 182 N SER A 14 3.599 3.235 9.491 1.00 0.00 N ATOM 183 CA SER A 14 4.487 3.107 10.639 1.00 0.00 C ATOM 184 C SER A 14 5.914 3.526 10.274 1.00 0.00 C ATOM 185 O SER A 14 6.462 4.443 10.885 1.00 0.00 O ATOM 186 CB SER A 14 4.462 1.679 11.194 1.00 0.00 C ATOM 187 OG SER A 14 5.320 1.553 12.314 1.00 0.00 O ATOM 0 H SER A 14 3.214 2.354 9.149 1.00 0.00 H new ATOM 0 HA SER A 14 4.127 3.778 11.419 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.444 1.414 11.480 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.767 0.978 10.417 1.00 0.00 H new ATOM 0 HG SER A 14 5.285 0.633 12.651 1.00 0.00 H new ATOM 193 N PRO A 15 6.544 2.878 9.268 1.00 0.00 N ATOM 194 CA PRO A 15 7.896 3.218 8.851 1.00 0.00 C ATOM 195 C PRO A 15 7.916 4.261 7.739 1.00 0.00 C ATOM 196 O PRO A 15 7.530 3.977 6.606 1.00 0.00 O ATOM 197 CB PRO A 15 8.422 1.884 8.341 1.00 0.00 C ATOM 198 CG PRO A 15 7.225 1.203 7.756 1.00 0.00 C ATOM 199 CD PRO A 15 6.006 1.768 8.455 1.00 0.00 C ATOM 0 HA PRO A 15 8.486 3.658 9.655 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.202 2.026 7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.858 1.295 9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.169 1.378 6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.287 0.124 7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.263 2.121 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.518 1.017 9.077 1.00 0.00 H new ATOM 207 N ASN A 16 8.377 5.464 8.062 1.00 0.00 N ATOM 208 CA ASN A 16 8.452 6.532 7.072 1.00 0.00 C ATOM 209 C ASN A 16 9.808 6.507 6.373 1.00 0.00 C ATOM 210 O ASN A 16 10.269 7.522 5.848 1.00 0.00 O ATOM 211 CB ASN A 16 8.220 7.891 7.734 1.00 0.00 C ATOM 212 CG ASN A 16 6.968 7.913 8.588 1.00 0.00 C ATOM 213 OD1 ASN A 16 5.861 7.698 8.095 1.00 0.00 O ATOM 214 ND2 ASN A 16 7.136 8.175 9.879 1.00 0.00 N ATOM 0 H ASN A 16 8.702 5.723 8.993 1.00 0.00 H new ATOM 0 HA ASN A 16 7.672 6.373 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.082 8.143 8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.145 8.659 6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.329 8.204 10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.072 8.347 10.247 1.00 0.00 H new ATOM 221 N GLU A 17 10.434 5.332 6.371 1.00 0.00 N ATOM 222 CA GLU A 17 11.738 5.139 5.741 1.00 0.00 C ATOM 223 C GLU A 17 12.185 3.686 5.890 1.00 0.00 C ATOM 224 O GLU A 17 12.112 3.114 6.978 1.00 0.00 O ATOM 225 CB GLU A 17 12.788 6.075 6.355 1.00 0.00 C ATOM 226 CG GLU A 17 13.066 5.818 7.830 1.00 0.00 C ATOM 227 CD GLU A 17 11.869 6.103 8.715 1.00 0.00 C ATOM 228 OE1 GLU A 17 11.414 7.266 8.742 1.00 0.00 O ATOM 229 OE2 GLU A 17 11.386 5.164 9.381 1.00 0.00 O ATOM 0 H GLU A 17 10.054 4.490 6.804 1.00 0.00 H new ATOM 0 HA GLU A 17 11.642 5.378 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.719 5.973 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.455 7.106 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.369 4.779 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.904 6.438 8.150 1.00 0.00 H new ATOM 236 N GLY A 18 12.636 3.087 4.791 1.00 0.00 N ATOM 237 CA GLY A 18 13.077 1.704 4.832 1.00 0.00 C ATOM 238 C GLY A 18 13.376 1.140 3.456 1.00 0.00 C ATOM 239 O GLY A 18 12.718 1.493 2.478 1.00 0.00 O ATOM 0 H GLY A 18 12.704 3.533 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.971 1.631 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.308 1.096 5.309 1.00 0.00 H new ATOM 243 N ILE A 19 14.373 0.258 3.384 1.00 0.00 N ATOM 244 CA ILE A 19 14.760 -0.363 2.122 1.00 0.00 C ATOM 245 C ILE A 19 13.560 -1.059 1.470 1.00 0.00 C ATOM 246 O ILE A 19 12.538 -1.274 2.118 1.00 0.00 O ATOM 247 CB ILE A 19 15.912 -1.372 2.321 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.459 -2.548 3.192 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.113 -0.674 2.946 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.508 -3.627 3.352 1.00 0.00 C ATOM 0 H ILE A 19 14.926 -0.041 4.187 1.00 0.00 H new ATOM 0 HA ILE A 19 15.111 0.429 1.461 1.00 0.00 H new ATOM 0 HB ILE A 19 16.202 -1.766 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.183 -2.173 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.562 -2.988 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.921 -1.393 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.449 0.129 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.830 -0.258 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.115 -4.426 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.768 -4.030 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.398 -3.203 3.817 1.00 0.00 H new ATOM 262 N PRO A 20 13.654 -1.397 0.169 1.00 0.00 N ATOM 263 CA PRO A 20 12.555 -2.042 -0.563 1.00 0.00 C ATOM 264 C PRO A 20 11.929 -3.228 0.174 1.00 0.00 C ATOM 265 O PRO A 20 10.716 -3.284 0.351 1.00 0.00 O ATOM 266 CB PRO A 20 13.233 -2.517 -1.848 1.00 0.00 C ATOM 267 CG PRO A 20 14.335 -1.541 -2.070 1.00 0.00 C ATOM 268 CD PRO A 20 14.823 -1.149 -0.702 1.00 0.00 C ATOM 0 HA PRO A 20 11.723 -1.354 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.617 -3.532 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.535 -2.525 -2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.138 -1.986 -2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.980 -0.671 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.683 -1.745 -0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.132 -0.104 -0.671 1.00 0.00 H new ATOM 276 N TRP A 21 12.746 -4.189 0.579 1.00 0.00 N ATOM 277 CA TRP A 21 12.233 -5.373 1.263 1.00 0.00 C ATOM 278 C TRP A 21 11.681 -5.058 2.655 1.00 0.00 C ATOM 279 O TRP A 21 11.065 -5.917 3.286 1.00 0.00 O ATOM 280 CB TRP A 21 13.313 -6.452 1.354 1.00 0.00 C ATOM 281 CG TRP A 21 13.855 -6.856 0.016 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.975 -6.370 -0.595 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.284 -7.808 -0.888 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.144 -6.975 -1.818 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.118 -7.860 -2.021 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.151 -8.629 -0.848 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.854 -8.696 -3.103 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.890 -9.457 -1.923 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.738 -9.486 -3.038 1.00 0.00 C ATOM 0 H TRP A 21 13.758 -4.176 0.449 1.00 0.00 H new ATOM 0 HA TRP A 21 11.401 -5.744 0.665 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.131 -6.087 1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.901 -7.329 1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.632 -5.620 -0.179 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.909 -6.794 -2.468 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.492 -8.616 0.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.507 -8.720 -3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.017 -10.093 -1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.507 -10.144 -3.862 1.00 0.00 H new ATOM 300 N THR A 22 11.893 -3.835 3.136 1.00 0.00 N ATOM 301 CA THR A 22 11.394 -3.452 4.456 1.00 0.00 C ATOM 302 C THR A 22 9.873 -3.521 4.508 1.00 0.00 C ATOM 303 O THR A 22 9.187 -2.930 3.674 1.00 0.00 O ATOM 304 CB THR A 22 11.837 -2.030 4.855 1.00 0.00 C ATOM 305 OG1 THR A 22 13.263 -1.969 4.960 1.00 0.00 O ATOM 306 CG2 THR A 22 11.212 -1.616 6.180 1.00 0.00 C ATOM 0 H THR A 22 12.399 -3.101 2.641 1.00 0.00 H new ATOM 0 HA THR A 22 11.822 -4.164 5.162 1.00 0.00 H new ATOM 0 HB THR A 22 11.499 -1.342 4.080 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.525 -1.115 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.541 -0.609 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.126 -1.631 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.522 -2.310 6.961 1.00 0.00 H new ATOM 314 N LYS A 23 9.352 -4.236 5.498 1.00 0.00 N ATOM 315 CA LYS A 23 7.911 -4.371 5.663 1.00 0.00 C ATOM 316 C LYS A 23 7.300 -3.043 6.098 1.00 0.00 C ATOM 317 O LYS A 23 7.788 -2.404 7.030 1.00 0.00 O ATOM 318 CB LYS A 23 7.590 -5.455 6.695 1.00 0.00 C ATOM 319 CG LYS A 23 6.100 -5.643 6.937 1.00 0.00 C ATOM 320 CD LYS A 23 5.829 -6.702 7.996 1.00 0.00 C ATOM 321 CE LYS A 23 6.294 -8.079 7.548 1.00 0.00 C ATOM 322 NZ LYS A 23 6.027 -9.118 8.581 1.00 0.00 N ATOM 0 H LYS A 23 9.906 -4.730 6.198 1.00 0.00 H new ATOM 0 HA LYS A 23 7.481 -4.660 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.018 -6.401 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.074 -5.202 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.660 -4.696 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.613 -5.929 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.337 -6.430 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.762 -6.732 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.788 -8.350 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.362 -8.049 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.358 -10.042 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.530 -8.874 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.005 -9.165 8.770 1.00 0.00 H new ATOM 336 N VAL A 24 6.228 -2.636 5.427 1.00 0.00 N ATOM 337 CA VAL A 24 5.559 -1.385 5.758 1.00 0.00 C ATOM 338 C VAL A 24 4.072 -1.612 6.018 1.00 0.00 C ATOM 339 O VAL A 24 3.371 -2.213 5.204 1.00 0.00 O ATOM 340 CB VAL A 24 5.729 -0.334 4.640 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.199 -0.011 4.426 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.093 -0.811 3.343 1.00 0.00 C ATOM 0 H VAL A 24 5.806 -3.152 4.655 1.00 0.00 H new ATOM 0 HA VAL A 24 6.029 -1.006 6.665 1.00 0.00 H new ATOM 0 HB VAL A 24 5.218 0.576 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.297 0.732 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.623 0.385 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.733 -0.918 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.227 -0.052 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.567 -1.739 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.028 -0.983 3.502 1.00 0.00 H new ATOM 352 N THR A 25 3.599 -1.129 7.162 1.00 0.00 N ATOM 353 CA THR A 25 2.198 -1.280 7.527 1.00 0.00 C ATOM 354 C THR A 25 1.340 -0.222 6.842 1.00 0.00 C ATOM 355 O THR A 25 1.519 0.975 7.064 1.00 0.00 O ATOM 356 CB THR A 25 2.000 -1.181 9.053 1.00 0.00 C ATOM 357 OG1 THR A 25 2.786 -2.180 9.714 1.00 0.00 O ATOM 358 CG2 THR A 25 0.534 -1.356 9.425 1.00 0.00 C ATOM 0 H THR A 25 4.165 -0.631 7.850 1.00 0.00 H new ATOM 0 HA THR A 25 1.886 -2.270 7.194 1.00 0.00 H new ATOM 0 HB THR A 25 2.323 -0.191 9.374 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.657 -2.110 10.683 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.422 -1.282 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.059 -0.578 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.188 -2.334 9.090 1.00 0.00 H new ATOM 366 N ILE A 26 0.404 -0.671 6.015 1.00 0.00 N ATOM 367 CA ILE A 26 -0.486 0.239 5.306 1.00 0.00 C ATOM 368 C ILE A 26 -1.612 0.713 6.217 1.00 0.00 C ATOM 369 O ILE A 26 -2.178 -0.070 6.980 1.00 0.00 O ATOM 370 CB ILE A 26 -1.089 -0.417 4.046 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.024 -0.832 3.079 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.063 0.537 3.365 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.480 -1.493 1.813 1.00 0.00 C ATOM 0 H ILE A 26 0.242 -1.659 5.819 1.00 0.00 H new ATOM 0 HA ILE A 26 0.115 1.094 4.996 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.637 -1.310 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.606 0.049 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.700 -1.517 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.480 0.060 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.869 0.788 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.538 1.447 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.366 -1.758 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.037 -2.394 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.132 -0.803 1.277 1.00 0.00 H new ATOM 385 N ARG A 27 -1.934 1.999 6.129 1.00 0.00 N ATOM 386 CA ARG A 27 -2.994 2.587 6.941 1.00 0.00 C ATOM 387 C ARG A 27 -3.694 3.703 6.172 1.00 0.00 C ATOM 388 O ARG A 27 -3.043 4.516 5.517 1.00 0.00 O ATOM 389 CB ARG A 27 -2.426 3.139 8.252 1.00 0.00 C ATOM 390 CG ARG A 27 -1.871 2.073 9.184 1.00 0.00 C ATOM 391 CD ARG A 27 -2.962 1.136 9.678 1.00 0.00 C ATOM 392 NE ARG A 27 -3.984 1.843 10.447 1.00 0.00 N ATOM 393 CZ ARG A 27 -5.041 1.248 10.990 1.00 0.00 C ATOM 394 NH1 ARG A 27 -5.222 -0.057 10.840 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.921 1.958 11.683 1.00 0.00 N ATOM 0 H ARG A 27 -1.474 2.657 5.500 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.718 1.806 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.635 3.853 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.210 3.689 8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.105 1.498 8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.388 2.550 10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.427 0.640 8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.518 0.356 10.297 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.880 2.850 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.549 -0.607 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.034 -0.511 11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.787 2.962 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.732 1.500 12.099 1.00 0.00 H new ATOM 409 N GLY A 28 -5.020 3.735 6.252 1.00 0.00 N ATOM 410 CA GLY A 28 -5.777 4.755 5.550 1.00 0.00 C ATOM 411 C GLY A 28 -7.239 4.775 5.948 1.00 0.00 C ATOM 412 O GLY A 28 -7.565 4.766 7.136 1.00 0.00 O ATOM 0 H GLY A 28 -5.583 3.075 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.336 5.732 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.699 4.585 4.476 1.00 0.00 H new ATOM 416 N GLU A 29 -8.122 4.808 4.953 1.00 0.00 N ATOM 417 CA GLU A 29 -9.557 4.838 5.204 1.00 0.00 C ATOM 418 C GLU A 29 -10.327 4.093 4.115 1.00 0.00 C ATOM 419 O GLU A 29 -10.111 4.316 2.924 1.00 0.00 O ATOM 420 CB GLU A 29 -10.049 6.288 5.278 1.00 0.00 C ATOM 421 CG GLU A 29 -9.356 7.120 6.345 1.00 0.00 C ATOM 422 CD GLU A 29 -9.902 8.531 6.432 1.00 0.00 C ATOM 423 OE1 GLU A 29 -9.849 9.252 5.413 1.00 0.00 O ATOM 424 OE2 GLU A 29 -10.381 8.917 7.518 1.00 0.00 O ATOM 0 H GLU A 29 -7.867 4.815 3.965 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.739 4.340 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.900 6.762 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.122 6.288 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.469 6.631 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.288 7.161 6.132 1.00 0.00 H new ATOM 431 N ASN A 30 -11.235 3.216 4.539 1.00 0.00 N ATOM 432 CA ASN A 30 -12.060 2.440 3.615 1.00 0.00 C ATOM 433 C ASN A 30 -11.219 1.551 2.698 1.00 0.00 C ATOM 434 O ASN A 30 -11.506 1.433 1.507 1.00 0.00 O ATOM 435 CB ASN A 30 -12.932 3.374 2.770 1.00 0.00 C ATOM 436 CG ASN A 30 -13.869 4.216 3.614 1.00 0.00 C ATOM 437 OD1 ASN A 30 -13.731 5.533 3.515 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 -14.709 3.690 4.345 1.00 0.00 N flip ATOM 0 H ASN A 30 -11.419 3.024 5.524 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.694 1.790 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.291 4.030 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.516 2.782 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.781 2.674 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.333 4.271 4.905 1.00 0.00 H new ATOM 445 N LEU A 31 -10.194 0.913 3.256 1.00 0.00 N ATOM 446 CA LEU A 31 -9.335 0.021 2.478 1.00 0.00 C ATOM 447 C LEU A 31 -9.971 -1.360 2.338 1.00 0.00 C ATOM 448 O LEU A 31 -9.347 -2.378 2.638 1.00 0.00 O ATOM 449 CB LEU A 31 -7.947 -0.098 3.117 1.00 0.00 C ATOM 450 CG LEU A 31 -6.985 1.058 2.816 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.546 2.376 3.324 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.621 0.787 3.431 1.00 0.00 C ATOM 0 H LEU A 31 -9.937 0.995 4.240 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.221 0.453 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.068 -0.176 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.488 -1.028 2.780 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.870 1.133 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.846 3.180 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.500 2.578 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.696 2.316 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.950 1.617 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.723 0.683 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.211 -0.133 3.015 1.00 0.00 H new ATOM 464 N GLY A 32 -11.220 -1.383 1.882 1.00 0.00 N ATOM 465 CA GLY A 32 -11.932 -2.638 1.711 1.00 0.00 C ATOM 466 C GLY A 32 -12.279 -3.290 3.034 1.00 0.00 C ATOM 467 O GLY A 32 -11.397 -3.587 3.840 1.00 0.00 O ATOM 0 H GLY A 32 -11.754 -0.552 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.847 -2.460 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.321 -3.322 1.121 1.00 0.00 H new ATOM 471 N THR A 33 -13.570 -3.513 3.258 1.00 0.00 N ATOM 472 CA THR A 33 -14.038 -4.133 4.493 1.00 0.00 C ATOM 473 C THR A 33 -14.177 -5.645 4.333 1.00 0.00 C ATOM 474 O THR A 33 -15.140 -6.244 4.813 1.00 0.00 O ATOM 475 CB THR A 33 -15.392 -3.547 4.932 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.396 -3.847 3.955 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.294 -2.040 5.115 1.00 0.00 C ATOM 0 H THR A 33 -14.312 -3.273 2.600 1.00 0.00 H new ATOM 0 HA THR A 33 -13.291 -3.921 5.258 1.00 0.00 H new ATOM 0 HB THR A 33 -15.666 -3.998 5.886 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.255 -3.472 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.262 -1.647 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.549 -1.814 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.000 -1.577 4.173 1.00 0.00 H new ATOM 485 N GLY A 34 -13.210 -6.256 3.655 1.00 0.00 N ATOM 486 CA GLY A 34 -13.248 -7.691 3.443 1.00 0.00 C ATOM 487 C GLY A 34 -12.081 -8.185 2.607 1.00 0.00 C ATOM 488 O GLY A 34 -11.642 -7.494 1.688 1.00 0.00 O ATOM 0 H GLY A 34 -12.402 -5.783 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.240 -8.198 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.183 -7.958 2.950 1.00 0.00 H new ATOM 492 N PRO A 35 -11.550 -9.387 2.901 1.00 0.00 N ATOM 493 CA PRO A 35 -10.421 -9.955 2.155 1.00 0.00 C ATOM 494 C PRO A 35 -10.693 -10.008 0.656 1.00 0.00 C ATOM 495 O PRO A 35 -9.826 -9.679 -0.155 1.00 0.00 O ATOM 496 CB PRO A 35 -10.288 -11.369 2.727 1.00 0.00 C ATOM 497 CG PRO A 35 -10.896 -11.290 4.084 1.00 0.00 C ATOM 498 CD PRO A 35 -12.008 -10.285 3.979 1.00 0.00 C ATOM 0 HA PRO A 35 -9.517 -9.355 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.806 -12.098 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.244 -11.678 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.276 -12.262 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.159 -10.981 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.958 -10.760 3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.155 -9.747 4.916 1.00 0.00 H new ATOM 506 N THR A 36 -11.904 -10.421 0.295 1.00 0.00 N ATOM 507 CA THR A 36 -12.295 -10.514 -1.107 1.00 0.00 C ATOM 508 C THR A 36 -12.301 -9.141 -1.768 1.00 0.00 C ATOM 509 O THR A 36 -11.962 -9.008 -2.945 1.00 0.00 O ATOM 510 CB THR A 36 -13.689 -11.148 -1.262 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.664 -10.370 -0.559 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.697 -12.575 -0.735 1.00 0.00 C ATOM 0 H THR A 36 -12.632 -10.697 0.954 1.00 0.00 H new ATOM 0 HA THR A 36 -11.558 -11.149 -1.598 1.00 0.00 H new ATOM 0 HB THR A 36 -13.937 -11.167 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.548 -10.780 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.693 -13.002 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.976 -13.173 -1.293 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.428 -12.574 0.321 1.00 0.00 H new ATOM 520 N ASP A 37 -12.694 -8.122 -1.005 1.00 0.00 N ATOM 521 CA ASP A 37 -12.752 -6.756 -1.515 1.00 0.00 C ATOM 522 C ASP A 37 -11.428 -6.356 -2.159 1.00 0.00 C ATOM 523 O ASP A 37 -11.402 -5.842 -3.279 1.00 0.00 O ATOM 524 CB ASP A 37 -13.095 -5.779 -0.389 1.00 0.00 C ATOM 525 CG ASP A 37 -14.435 -6.078 0.255 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.103 -7.040 -0.179 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.818 -5.349 1.195 1.00 0.00 O ATOM 0 H ASP A 37 -12.977 -8.219 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.533 -6.716 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.314 -5.818 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.105 -4.763 -0.785 1.00 0.00 H new ATOM 532 N LEU A 38 -10.330 -6.597 -1.449 1.00 0.00 N ATOM 533 CA LEU A 38 -9.006 -6.263 -1.959 1.00 0.00 C ATOM 534 C LEU A 38 -8.663 -7.141 -3.158 1.00 0.00 C ATOM 535 O LEU A 38 -8.841 -8.358 -3.119 1.00 0.00 O ATOM 536 CB LEU A 38 -7.956 -6.416 -0.847 1.00 0.00 C ATOM 537 CG LEU A 38 -6.527 -5.975 -1.198 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.826 -7.019 -2.055 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.536 -4.626 -1.904 1.00 0.00 C ATOM 0 H LEU A 38 -10.331 -7.021 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.006 -5.224 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.288 -5.843 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.927 -7.463 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.972 -5.873 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.817 -6.680 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.776 -7.962 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.383 -7.163 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.514 -4.334 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.116 -4.700 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.984 -3.877 -1.252 1.00 0.00 H new ATOM 551 N ILE A 39 -8.176 -6.511 -4.224 1.00 0.00 N ATOM 552 CA ILE A 39 -7.814 -7.227 -5.443 1.00 0.00 C ATOM 553 C ILE A 39 -6.644 -6.550 -6.147 1.00 0.00 C ATOM 554 O ILE A 39 -5.914 -7.185 -6.907 1.00 0.00 O ATOM 555 CB ILE A 39 -9.000 -7.308 -6.426 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.497 -5.902 -6.772 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.124 -8.150 -5.838 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.612 -5.882 -7.797 1.00 0.00 C ATOM 0 H ILE A 39 -8.023 -5.504 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.529 -8.235 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.662 -7.789 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.845 -5.416 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.660 -5.313 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.952 -8.196 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.759 -9.158 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.467 -7.700 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.910 -4.852 -7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.263 -6.338 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.466 -6.442 -7.416 1.00 0.00 H new ATOM 570 N GLY A 40 -6.480 -5.257 -5.896 1.00 0.00 N ATOM 571 CA GLY A 40 -5.401 -4.513 -6.517 1.00 0.00 C ATOM 572 C GLY A 40 -4.451 -3.909 -5.502 1.00 0.00 C ATOM 573 O GLY A 40 -4.883 -3.363 -4.487 1.00 0.00 O ATOM 0 H GLY A 40 -7.075 -4.710 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.845 -5.174 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.820 -3.719 -7.134 1.00 0.00 H new ATOM 577 N LEU A 41 -3.154 -4.005 -5.778 1.00 0.00 N ATOM 578 CA LEU A 41 -2.141 -3.462 -4.880 1.00 0.00 C ATOM 579 C LEU A 41 -0.916 -3.021 -5.677 1.00 0.00 C ATOM 580 O LEU A 41 -0.411 -3.769 -6.514 1.00 0.00 O ATOM 581 CB LEU A 41 -1.735 -4.511 -3.838 1.00 0.00 C ATOM 582 CG LEU A 41 -1.258 -3.963 -2.485 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.132 -2.955 -2.657 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.419 -3.341 -1.723 1.00 0.00 C ATOM 0 H LEU A 41 -2.780 -4.453 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.561 -2.598 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.586 -5.169 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.940 -5.125 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.867 -4.800 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.180 -2.588 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.713 -3.434 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.481 -2.119 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.063 -2.958 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.841 -2.523 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.186 -4.096 -1.549 1.00 0.00 H new ATOM 596 N THR A 42 -0.444 -1.809 -5.406 1.00 0.00 N ATOM 597 CA THR A 42 0.723 -1.269 -6.096 1.00 0.00 C ATOM 598 C THR A 42 1.449 -0.235 -5.247 1.00 0.00 C ATOM 599 O THR A 42 0.827 0.574 -4.560 1.00 0.00 O ATOM 600 CB THR A 42 0.344 -0.617 -7.439 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.856 0.152 -7.294 1.00 0.00 O ATOM 602 CG2 THR A 42 0.166 -1.662 -8.529 1.00 0.00 C ATOM 0 H THR A 42 -0.852 -1.181 -4.713 1.00 0.00 H new ATOM 0 HA THR A 42 1.382 -2.118 -6.280 1.00 0.00 H new ATOM 0 HB THR A 42 1.160 0.043 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.087 0.563 -8.153 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.101 -1.170 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.098 -2.212 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.626 -2.354 -8.244 1.00 0.00 H new ATOM 610 N ILE A 43 2.774 -0.263 -5.323 1.00 0.00 N ATOM 611 CA ILE A 43 3.613 0.673 -4.590 1.00 0.00 C ATOM 612 C ILE A 43 4.713 1.182 -5.508 1.00 0.00 C ATOM 613 O ILE A 43 5.465 0.395 -6.082 1.00 0.00 O ATOM 614 CB ILE A 43 4.248 0.020 -3.344 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.161 -0.534 -2.420 1.00 0.00 C ATOM 616 CG2 ILE A 43 5.115 1.030 -2.603 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.705 -1.261 -1.208 1.00 0.00 C ATOM 0 H ILE A 43 3.294 -0.932 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 43 2.984 1.497 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 43 4.880 -0.808 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.527 0.287 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.527 -1.215 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.557 0.556 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.908 1.383 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.502 1.875 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.877 -1.625 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.315 -2.104 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.315 -0.578 -0.617 1.00 0.00 H new ATOM 629 N CYS A 44 4.785 2.498 -5.665 1.00 0.00 N ATOM 630 CA CYS A 44 5.778 3.103 -6.541 1.00 0.00 C ATOM 631 C CYS A 44 5.614 2.568 -7.962 1.00 0.00 C ATOM 632 O CYS A 44 6.597 2.299 -8.653 1.00 0.00 O ATOM 633 CB CYS A 44 7.193 2.816 -6.033 1.00 0.00 C ATOM 634 SG CYS A 44 7.519 3.423 -4.360 1.00 0.00 S ATOM 0 H CYS A 44 4.169 3.164 -5.198 1.00 0.00 H new ATOM 0 HA CYS A 44 5.625 4.182 -6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.364 1.740 -6.056 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.911 3.268 -6.717 1.00 0.00 H new ATOM 0 HG CYS A 44 8.739 3.129 -4.022 1.00 0.00 H new ATOM 640 N GLY A 45 4.362 2.415 -8.390 1.00 0.00 N ATOM 641 CA GLY A 45 4.085 1.910 -9.725 1.00 0.00 C ATOM 642 C GLY A 45 4.246 0.403 -9.840 1.00 0.00 C ATOM 643 O GLY A 45 3.538 -0.242 -10.613 1.00 0.00 O ATOM 0 H GLY A 45 3.534 2.632 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.068 2.183 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.753 2.396 -10.436 1.00 0.00 H new ATOM 647 N HIS A 46 5.180 -0.158 -9.077 1.00 0.00 N ATOM 648 CA HIS A 46 5.435 -1.595 -9.104 1.00 0.00 C ATOM 649 C HIS A 46 4.292 -2.374 -8.462 1.00 0.00 C ATOM 650 O HIS A 46 3.829 -2.031 -7.374 1.00 0.00 O ATOM 651 CB HIS A 46 6.748 -1.915 -8.384 1.00 0.00 C ATOM 652 CG HIS A 46 7.091 -3.372 -8.385 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.343 -4.087 -9.537 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.216 -4.254 -7.363 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.608 -5.344 -9.225 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.539 -5.469 -7.913 1.00 0.00 N ATOM 0 H HIS A 46 5.774 0.362 -8.431 1.00 0.00 H new ATOM 0 HA HIS A 46 5.512 -1.899 -10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.557 -1.359 -8.857 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.682 -1.566 -7.353 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.086 -4.040 -6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.841 -6.134 -9.924 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.700 -6.331 -7.391 1.00 0.00 H new ATOM 665 N ASN A 47 3.845 -3.429 -9.138 1.00 0.00 N ATOM 666 CA ASN A 47 2.761 -4.260 -8.628 1.00 0.00 C ATOM 667 C ASN A 47 3.252 -5.149 -7.488 1.00 0.00 C ATOM 668 O ASN A 47 4.386 -5.627 -7.506 1.00 0.00 O ATOM 669 CB ASN A 47 2.169 -5.122 -9.745 1.00 0.00 C ATOM 670 CG ASN A 47 3.148 -6.154 -10.265 1.00 0.00 C ATOM 671 OD1 ASN A 47 4.222 -5.815 -10.765 1.00 0.00 O ATOM 672 ND2 ASN A 47 2.779 -7.426 -10.151 1.00 0.00 N ATOM 0 H ASN A 47 4.217 -3.728 -10.040 1.00 0.00 H new ATOM 0 HA ASN A 47 1.983 -3.599 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.277 -5.627 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.854 -4.479 -10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.395 -8.168 -10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.880 -7.660 -9.730 1.00 0.00 H new ATOM 679 N CYS A 48 2.391 -5.365 -6.499 1.00 0.00 N ATOM 680 CA CYS A 48 2.733 -6.193 -5.348 1.00 0.00 C ATOM 681 C CYS A 48 1.479 -6.796 -4.723 1.00 0.00 C ATOM 682 O CYS A 48 1.301 -6.772 -3.505 1.00 0.00 O ATOM 683 CB CYS A 48 3.501 -5.368 -4.312 1.00 0.00 C ATOM 684 SG CYS A 48 2.720 -3.795 -3.891 1.00 0.00 S ATOM 0 H CYS A 48 1.448 -4.977 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 48 3.370 -7.009 -5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.613 -5.960 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.504 -5.173 -4.691 1.00 0.00 H new ATOM 0 HG CYS A 48 1.717 -3.581 -4.690 1.00 0.00 H new ATOM 690 N LEU A 49 0.612 -7.336 -5.574 1.00 0.00 N ATOM 691 CA LEU A 49 -0.633 -7.948 -5.125 1.00 0.00 C ATOM 692 C LEU A 49 -0.384 -9.291 -4.440 1.00 0.00 C ATOM 693 O LEU A 49 -0.905 -9.548 -3.355 1.00 0.00 O ATOM 694 CB LEU A 49 -1.580 -8.138 -6.313 1.00 0.00 C ATOM 695 CG LEU A 49 -2.871 -8.901 -6.005 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.718 -8.137 -4.998 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.654 -9.155 -7.283 1.00 0.00 C ATOM 0 H LEU A 49 0.751 -7.362 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.090 -7.279 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.843 -7.156 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.045 -8.666 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.607 -9.863 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.631 -8.696 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.156 -8.008 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.975 -7.159 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.569 -9.698 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.907 -8.203 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.048 -9.746 -7.970 1.00 0.00 H new ATOM 709 N LEU A 50 0.402 -10.148 -5.085 1.00 0.00 N ATOM 710 CA LEU A 50 0.703 -11.469 -4.540 1.00 0.00 C ATOM 711 C LEU A 50 1.447 -11.372 -3.207 1.00 0.00 C ATOM 712 O LEU A 50 1.302 -12.241 -2.347 1.00 0.00 O ATOM 713 CB LEU A 50 1.491 -12.305 -5.559 1.00 0.00 C ATOM 714 CG LEU A 50 2.770 -11.665 -6.107 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.914 -11.816 -5.118 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.136 -12.278 -7.450 1.00 0.00 C ATOM 0 H LEU A 50 0.842 -9.952 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.243 -11.974 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.754 -13.255 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.834 -12.532 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 50 2.587 -10.600 -6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.812 -11.354 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.651 -11.328 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.101 -12.874 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.047 -11.813 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.299 -13.349 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.325 -12.112 -8.159 1.00 0.00 H new ATOM 728 N THR A 51 2.235 -10.312 -3.032 1.00 0.00 N ATOM 729 CA THR A 51 2.982 -10.116 -1.791 1.00 0.00 C ATOM 730 C THR A 51 2.084 -9.540 -0.700 1.00 0.00 C ATOM 731 O THR A 51 2.198 -9.904 0.470 1.00 0.00 O ATOM 732 CB THR A 51 4.186 -9.174 -1.985 1.00 0.00 C ATOM 733 OG1 THR A 51 3.752 -7.936 -2.562 1.00 0.00 O ATOM 734 CG2 THR A 51 5.249 -9.808 -2.870 1.00 0.00 C ATOM 0 H THR A 51 2.372 -9.580 -3.729 1.00 0.00 H new ATOM 0 HA THR A 51 3.348 -11.098 -1.492 1.00 0.00 H new ATOM 0 HB THR A 51 4.626 -8.987 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.599 -7.280 -1.851 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.084 -9.118 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.602 -10.731 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.823 -10.030 -3.848 1.00 0.00 H new ATOM 742 N ALA A 52 1.196 -8.632 -1.094 1.00 0.00 N ATOM 743 CA ALA A 52 0.278 -7.994 -0.156 1.00 0.00 C ATOM 744 C ALA A 52 -0.686 -9.000 0.460 1.00 0.00 C ATOM 745 O ALA A 52 -1.219 -9.869 -0.231 1.00 0.00 O ATOM 746 CB ALA A 52 -0.498 -6.885 -0.847 1.00 0.00 C ATOM 0 H ALA A 52 1.093 -8.321 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 52 0.876 -7.567 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.178 -6.419 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.197 -6.137 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.070 -7.303 -1.675 1.00 0.00 H new ATOM 752 N GLU A 53 -0.916 -8.864 1.761 1.00 0.00 N ATOM 753 CA GLU A 53 -1.828 -9.746 2.477 1.00 0.00 C ATOM 754 C GLU A 53 -2.872 -8.924 3.225 1.00 0.00 C ATOM 755 O GLU A 53 -2.533 -8.010 3.978 1.00 0.00 O ATOM 756 CB GLU A 53 -1.055 -10.635 3.455 1.00 0.00 C ATOM 757 CG GLU A 53 -1.931 -11.632 4.195 1.00 0.00 C ATOM 758 CD GLU A 53 -2.634 -12.600 3.263 1.00 0.00 C ATOM 759 OE1 GLU A 53 -1.935 -13.337 2.536 1.00 0.00 O ATOM 760 OE2 GLU A 53 -3.883 -12.623 3.261 1.00 0.00 O ATOM 0 H GLU A 53 -0.481 -8.148 2.343 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.334 -10.385 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.284 -11.178 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.545 -10.003 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.319 -12.194 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.676 -11.091 4.779 1.00 0.00 H new ATOM 767 N TRP A 54 -4.142 -9.245 3.005 1.00 0.00 N ATOM 768 CA TRP A 54 -5.235 -8.526 3.650 1.00 0.00 C ATOM 769 C TRP A 54 -5.193 -8.706 5.165 1.00 0.00 C ATOM 770 O TRP A 54 -4.852 -9.780 5.661 1.00 0.00 O ATOM 771 CB TRP A 54 -6.582 -9.008 3.113 1.00 0.00 C ATOM 772 CG TRP A 54 -7.702 -8.055 3.394 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.081 -6.991 2.628 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.570 -8.060 4.534 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.144 -6.345 3.211 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.461 -6.981 4.383 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.684 -8.876 5.662 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.450 -6.696 5.321 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.667 -8.591 6.593 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.539 -7.510 6.416 1.00 0.00 C ATOM 0 H TRP A 54 -4.440 -9.998 2.385 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.115 -7.467 3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.504 -9.160 2.036 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.817 -9.976 3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.613 -6.699 1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.620 -5.526 2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.017 -9.714 5.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.123 -5.862 5.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.763 -9.213 7.471 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.298 -7.315 7.160 1.00 0.00 H new ATOM 791 N MET A 55 -5.547 -7.650 5.894 1.00 0.00 N ATOM 792 CA MET A 55 -5.554 -7.695 7.353 1.00 0.00 C ATOM 793 C MET A 55 -6.851 -7.110 7.905 1.00 0.00 C ATOM 794 O MET A 55 -7.526 -7.737 8.721 1.00 0.00 O ATOM 795 CB MET A 55 -4.357 -6.930 7.919 1.00 0.00 C ATOM 796 CG MET A 55 -3.014 -7.464 7.445 1.00 0.00 C ATOM 797 SD MET A 55 -2.753 -9.192 7.894 1.00 0.00 S ATOM 798 CE MET A 55 -2.797 -9.094 9.681 1.00 0.00 C ATOM 0 H MET A 55 -5.832 -6.754 5.498 1.00 0.00 H new ATOM 0 HA MET A 55 -5.483 -8.739 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.441 -5.880 7.637 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.391 -6.972 9.008 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.948 -7.361 6.362 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.215 -6.857 7.872 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.632 -10.085 10.104 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.016 -8.417 10.028 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.770 -8.721 10.001 1.00 0.00 H new ATOM 808 N SER A 56 -7.196 -5.908 7.448 1.00 0.00 N ATOM 809 CA SER A 56 -8.416 -5.241 7.887 1.00 0.00 C ATOM 810 C SER A 56 -8.809 -4.141 6.907 1.00 0.00 C ATOM 811 O SER A 56 -8.213 -4.011 5.836 1.00 0.00 O ATOM 812 CB SER A 56 -8.228 -4.646 9.286 1.00 0.00 C ATOM 813 OG SER A 56 -7.929 -5.652 10.238 1.00 0.00 O ATOM 0 H SER A 56 -6.646 -5.377 6.773 1.00 0.00 H new ATOM 0 HA SER A 56 -9.214 -5.983 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.423 -3.911 9.266 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.134 -4.118 9.584 1.00 0.00 H new ATOM 0 HG SER A 56 -8.101 -6.534 9.847 1.00 0.00 H new ATOM 819 N ALA A 57 -9.812 -3.351 7.275 1.00 0.00 N ATOM 820 CA ALA A 57 -10.277 -2.262 6.426 1.00 0.00 C ATOM 821 C ALA A 57 -9.378 -1.036 6.556 1.00 0.00 C ATOM 822 O ALA A 57 -9.860 0.098 6.569 1.00 0.00 O ATOM 823 CB ALA A 57 -11.716 -1.903 6.770 1.00 0.00 C ATOM 0 H ALA A 57 -10.318 -3.445 8.156 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.234 -2.600 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.051 -1.088 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.355 -2.773 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.774 -1.591 7.813 1.00 0.00 H new ATOM 829 N SER A 58 -8.070 -1.270 6.652 1.00 0.00 N ATOM 830 CA SER A 58 -7.106 -0.183 6.782 1.00 0.00 C ATOM 831 C SER A 58 -5.676 -0.717 6.834 1.00 0.00 C ATOM 832 O SER A 58 -4.777 -0.167 6.198 1.00 0.00 O ATOM 833 CB SER A 58 -7.392 0.636 8.044 1.00 0.00 C ATOM 834 OG SER A 58 -6.484 1.717 8.168 1.00 0.00 O ATOM 0 H SER A 58 -7.656 -2.202 6.642 1.00 0.00 H new ATOM 0 HA SER A 58 -7.207 0.456 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.413 1.017 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.320 -0.006 8.922 1.00 0.00 H new ATOM 0 HG SER A 58 -6.689 2.225 8.981 1.00 0.00 H new ATOM 840 N LYS A 59 -5.469 -1.783 7.604 1.00 0.00 N ATOM 841 CA LYS A 59 -4.144 -2.376 7.745 1.00 0.00 C ATOM 842 C LYS A 59 -3.869 -3.398 6.645 1.00 0.00 C ATOM 843 O LYS A 59 -4.707 -4.251 6.354 1.00 0.00 O ATOM 844 CB LYS A 59 -4.004 -3.039 9.117 1.00 0.00 C ATOM 845 CG LYS A 59 -2.627 -3.634 9.368 1.00 0.00 C ATOM 846 CD LYS A 59 -2.524 -4.240 10.758 1.00 0.00 C ATOM 847 CE LYS A 59 -1.149 -4.844 11.001 1.00 0.00 C ATOM 848 NZ LYS A 59 -0.842 -5.930 10.031 1.00 0.00 N ATOM 0 H LYS A 59 -6.201 -2.252 8.138 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.411 -1.575 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.219 -2.302 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.753 -3.826 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.419 -4.400 8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.869 -2.860 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.723 -3.473 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.287 -5.009 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.391 -4.064 10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.100 -5.239 12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.212 -6.627 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.725 -6.397 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.374 -5.526 9.195 1.00 0.00 H new ATOM 862 N ILE A 60 -2.679 -3.314 6.050 1.00 0.00 N ATOM 863 CA ILE A 60 -2.275 -4.237 4.992 1.00 0.00 C ATOM 864 C ILE A 60 -0.758 -4.412 4.983 1.00 0.00 C ATOM 865 O ILE A 60 -0.013 -3.447 4.810 1.00 0.00 O ATOM 866 CB ILE A 60 -2.723 -3.747 3.595 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.251 -3.662 3.515 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.184 -4.671 2.512 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.765 -3.140 2.188 1.00 0.00 C ATOM 0 H ILE A 60 -1.976 -2.613 6.285 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.763 -5.189 5.203 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.317 -2.748 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.671 -4.652 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.612 -3.015 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.508 -4.313 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.095 -4.682 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.563 -5.680 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.854 -3.108 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.376 -2.137 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.435 -3.799 1.385 1.00 0.00 H new ATOM 881 N VAL A 61 -0.307 -5.649 5.171 1.00 0.00 N ATOM 882 CA VAL A 61 1.120 -5.949 5.182 1.00 0.00 C ATOM 883 C VAL A 61 1.629 -6.246 3.774 1.00 0.00 C ATOM 884 O VAL A 61 1.023 -7.026 3.040 1.00 0.00 O ATOM 885 CB VAL A 61 1.433 -7.152 6.095 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.928 -7.432 6.124 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.904 -6.905 7.499 1.00 0.00 C ATOM 0 H VAL A 61 -0.909 -6.459 5.318 1.00 0.00 H new ATOM 0 HA VAL A 61 1.628 -5.066 5.570 1.00 0.00 H new ATOM 0 HB VAL A 61 0.932 -8.031 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.126 -8.284 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.276 -7.656 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.455 -6.556 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.133 -7.763 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.375 -6.014 7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.176 -6.761 7.461 1.00 0.00 H new ATOM 897 N CYS A 62 2.746 -5.624 3.406 1.00 0.00 N ATOM 898 CA CYS A 62 3.334 -5.829 2.085 1.00 0.00 C ATOM 899 C CYS A 62 4.715 -5.198 1.984 1.00 0.00 C ATOM 900 O CYS A 62 4.959 -4.111 2.507 1.00 0.00 O ATOM 901 CB CYS A 62 2.427 -5.266 0.994 1.00 0.00 C ATOM 902 SG CYS A 62 3.165 -5.270 -0.656 1.00 0.00 S ATOM 0 H CYS A 62 3.261 -4.976 4.002 1.00 0.00 H new ATOM 0 HA CYS A 62 3.438 -6.904 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.504 -5.846 0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.154 -4.244 1.255 1.00 0.00 H new ATOM 0 HG CYS A 62 2.506 -4.458 -1.428 1.00 0.00 H new ATOM 908 N ARG A 63 5.609 -5.895 1.297 1.00 0.00 N ATOM 909 CA ARG A 63 6.976 -5.424 1.104 1.00 0.00 C ATOM 910 C ARG A 63 7.060 -4.489 -0.100 1.00 0.00 C ATOM 911 O ARG A 63 6.412 -4.722 -1.121 1.00 0.00 O ATOM 912 CB ARG A 63 7.925 -6.612 0.924 1.00 0.00 C ATOM 913 CG ARG A 63 7.580 -7.489 -0.268 1.00 0.00 C ATOM 914 CD ARG A 63 8.448 -8.736 -0.313 1.00 0.00 C ATOM 915 NE ARG A 63 8.133 -9.576 -1.464 1.00 0.00 N ATOM 916 CZ ARG A 63 8.692 -10.762 -1.691 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.585 -11.253 -0.841 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.354 -11.459 -2.767 1.00 0.00 N ATOM 0 H ARG A 63 5.411 -6.795 0.860 1.00 0.00 H new ATOM 0 HA ARG A 63 7.277 -4.866 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.943 -6.239 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.909 -7.220 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.530 -7.777 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.710 -6.921 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.498 -8.446 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.309 -9.309 0.604 1.00 0.00 H new ATOM 0 HE ARG A 63 7.444 -9.234 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.845 -10.721 -0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.011 -12.162 -1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.666 -11.086 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.782 -12.368 -2.941 1.00 0.00 H new ATOM 932 N VAL A 64 7.852 -3.429 0.027 1.00 0.00 N ATOM 933 CA VAL A 64 8.006 -2.460 -1.055 1.00 0.00 C ATOM 934 C VAL A 64 8.548 -3.129 -2.302 1.00 0.00 C ATOM 935 O VAL A 64 8.093 -2.880 -3.418 1.00 0.00 O ATOM 936 CB VAL A 64 8.947 -1.306 -0.663 1.00 0.00 C ATOM 937 CG1 VAL A 64 8.611 -0.046 -1.443 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.905 -1.056 0.837 1.00 0.00 C ATOM 0 H VAL A 64 8.395 -3.219 0.864 1.00 0.00 H new ATOM 0 HA VAL A 64 7.015 -2.052 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 64 9.966 -1.595 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.289 0.755 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.719 -0.239 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.584 0.251 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.578 -0.236 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.889 -0.795 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.218 -1.957 1.365 1.00 0.00 H new ATOM 1052 N GLY A 72 6.062 7.503 -5.015 1.00 0.00 N ATOM 1053 CA GLY A 72 5.788 6.353 -4.172 1.00 0.00 C ATOM 1054 C GLY A 72 4.407 6.400 -3.548 1.00 0.00 C ATOM 1055 O GLY A 72 4.246 6.120 -2.360 1.00 0.00 O ATOM 0 HA2 GLY A 72 5.884 5.443 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.537 6.300 -3.382 1.00 0.00 H new ATOM 1059 N ASP A 73 3.407 6.751 -4.352 1.00 0.00 N ATOM 1060 CA ASP A 73 2.031 6.829 -3.875 1.00 0.00 C ATOM 1061 C ASP A 73 1.466 5.436 -3.614 1.00 0.00 C ATOM 1062 O ASP A 73 1.587 4.541 -4.450 1.00 0.00 O ATOM 1063 CB ASP A 73 1.156 7.565 -4.891 1.00 0.00 C ATOM 1064 CG ASP A 73 1.640 8.978 -5.153 1.00 0.00 C ATOM 1065 OD1 ASP A 73 1.701 9.772 -4.191 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.957 9.290 -6.320 1.00 0.00 O ATOM 0 H ASP A 73 3.525 6.986 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 73 2.030 7.384 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.145 7.008 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.129 7.597 -4.527 1.00 0.00 H new ATOM 1071 N ILE A 74 0.850 5.261 -2.450 1.00 0.00 N ATOM 1072 CA ILE A 74 0.265 3.977 -2.080 1.00 0.00 C ATOM 1073 C ILE A 74 -1.154 3.841 -2.629 1.00 0.00 C ATOM 1074 O ILE A 74 -2.103 4.381 -2.058 1.00 0.00 O ATOM 1075 CB ILE A 74 0.240 3.803 -0.546 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.657 3.927 0.021 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.377 2.461 -0.172 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.720 3.856 1.532 1.00 0.00 C ATOM 0 H ILE A 74 0.743 5.992 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 74 0.890 3.198 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.376 4.591 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.276 3.133 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.088 4.873 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.387 2.355 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.398 2.412 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.212 1.655 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.756 3.951 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.129 4.666 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.320 2.899 1.868 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.292 3.117 -3.736 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.595 2.910 -4.360 1.00 0.00 C ATOM 1092 C ILE A 75 -3.182 1.556 -3.965 1.00 0.00 C ATOM 1093 O ILE A 75 -2.468 0.555 -3.910 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.504 2.989 -5.899 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.827 4.294 -6.333 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.891 2.876 -6.521 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.552 5.544 -5.878 1.00 0.00 C ATOM 0 H ILE A 75 -0.517 2.664 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.247 3.707 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.898 2.154 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.810 4.312 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.749 4.307 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.809 2.934 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.339 1.922 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.519 3.691 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.011 6.425 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.560 5.551 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.607 5.557 -4.789 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.485 1.529 -3.695 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.160 0.292 -3.310 1.00 0.00 C ATOM 1111 C VAL A 76 -6.554 0.204 -3.931 1.00 0.00 C ATOM 1112 O VAL A 76 -7.410 1.055 -3.691 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.270 0.166 -1.777 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.952 1.391 -1.190 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.015 -1.103 -1.391 1.00 0.00 C ATOM 0 H VAL A 76 -5.093 2.347 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.553 -0.531 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.263 0.104 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.021 1.285 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.371 2.281 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.953 1.486 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.080 -1.171 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.019 -1.078 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.480 -1.971 -1.777 1.00 0.00 H new ATOM 1125 N THR A 77 -6.772 -0.837 -4.730 1.00 0.00 N ATOM 1126 CA THR A 77 -8.057 -1.044 -5.389 1.00 0.00 C ATOM 1127 C THR A 77 -8.986 -1.902 -4.534 1.00 0.00 C ATOM 1128 O THR A 77 -8.537 -2.806 -3.829 1.00 0.00 O ATOM 1129 CB THR A 77 -7.878 -1.710 -6.767 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.966 -0.945 -7.564 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.211 -1.824 -7.493 1.00 0.00 C ATOM 0 H THR A 77 -6.074 -1.551 -4.937 1.00 0.00 H new ATOM 0 HA THR A 77 -8.505 -0.060 -5.525 1.00 0.00 H new ATOM 0 HB THR A 77 -7.479 -2.712 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.855 -1.375 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.058 -2.297 -8.463 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.898 -2.427 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.633 -0.829 -7.637 1.00 0.00 H new ATOM 1139 N THR A 78 -10.283 -1.614 -4.606 1.00 0.00 N ATOM 1140 CA THR A 78 -11.278 -2.360 -3.842 1.00 0.00 C ATOM 1141 C THR A 78 -12.538 -2.595 -4.670 1.00 0.00 C ATOM 1142 O THR A 78 -12.947 -1.734 -5.449 1.00 0.00 O ATOM 1143 CB THR A 78 -11.663 -1.626 -2.543 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.199 -0.333 -2.850 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.458 -1.477 -1.627 1.00 0.00 C ATOM 0 H THR A 78 -10.669 -0.869 -5.186 1.00 0.00 H new ATOM 0 HA THR A 78 -10.825 -3.318 -3.586 1.00 0.00 H new ATOM 0 HB THR A 78 -12.419 -2.219 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.443 0.126 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.755 -0.956 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.072 -2.463 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.683 -0.905 -2.136 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.142 -3.770 -4.501 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.353 -4.123 -5.237 1.00 0.00 C ATOM 1155 C LYS A 79 -15.416 -3.038 -5.104 1.00 0.00 C ATOM 1156 O LYS A 79 -15.990 -2.596 -6.100 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.910 -5.457 -4.734 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.994 -6.644 -4.995 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.799 -6.891 -6.485 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.110 -7.237 -7.173 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.928 -7.473 -8.632 1.00 0.00 N ATOM 0 H LYS A 79 -12.812 -4.493 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.088 -4.217 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.095 -5.382 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.872 -5.641 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.026 -6.466 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.414 -7.536 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.368 -6.003 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.087 -7.703 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.538 -8.127 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.823 -6.427 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.845 -7.706 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.544 -6.615 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.267 -8.263 -8.776 1.00 0.00 H new ATOM 1175 N SER A 80 -15.671 -2.610 -3.873 1.00 0.00 N ATOM 1176 CA SER A 80 -16.663 -1.573 -3.619 1.00 0.00 C ATOM 1177 C SER A 80 -16.209 -0.238 -4.198 1.00 0.00 C ATOM 1178 O SER A 80 -16.972 0.450 -4.876 1.00 0.00 O ATOM 1179 CB SER A 80 -16.917 -1.435 -2.116 1.00 0.00 C ATOM 1180 OG SER A 80 -17.882 -0.430 -1.853 1.00 0.00 O ATOM 0 H SER A 80 -15.206 -2.964 -3.037 1.00 0.00 H new ATOM 0 HA SER A 80 -17.592 -1.864 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.260 -2.388 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.985 -1.191 -1.607 1.00 0.00 H new ATOM 0 HG SER A 80 -18.028 -0.362 -0.886 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.958 0.119 -3.926 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.411 1.369 -4.425 1.00 0.00 C ATOM 1188 C GLY A 81 -14.085 1.319 -5.905 1.00 0.00 C ATOM 1189 O GLY A 81 -14.929 0.950 -6.724 1.00 0.00 O ATOM 0 H GLY A 81 -14.311 -0.437 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.125 2.172 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.507 1.613 -3.867 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.855 1.693 -6.243 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.420 1.691 -7.629 1.00 0.00 C ATOM 1195 C GLY A 82 -10.926 1.920 -7.752 1.00 0.00 C ATOM 1196 O GLY A 82 -10.257 1.288 -8.570 1.00 0.00 O ATOM 0 H GLY A 82 -12.147 2.000 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.681 0.738 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.953 2.467 -8.178 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.406 2.819 -6.923 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.982 3.135 -6.915 1.00 0.00 C ATOM 1202 C LYS A 83 -8.639 3.964 -5.684 1.00 0.00 C ATOM 1203 O LYS A 83 -9.203 5.037 -5.468 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.592 3.895 -8.184 1.00 0.00 C ATOM 1205 CG LYS A 83 -7.090 4.079 -8.344 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.752 4.894 -9.582 1.00 0.00 C ATOM 1207 CE LYS A 83 -7.206 6.339 -9.442 1.00 0.00 C ATOM 1208 NZ LYS A 83 -6.895 7.139 -10.658 1.00 0.00 N ATOM 0 H LYS A 83 -10.954 3.345 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.420 2.201 -6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.979 3.360 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.071 4.874 -8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.688 4.575 -7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.609 3.103 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.676 4.865 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.227 4.446 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.279 6.366 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.720 6.790 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.220 8.117 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.868 7.135 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.379 6.724 -11.480 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.721 3.453 -4.869 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.331 4.149 -3.658 1.00 0.00 C ATOM 1224 C GLY A 84 -6.343 5.273 -3.902 1.00 0.00 C ATOM 1225 O GLY A 84 -5.291 5.067 -4.506 1.00 0.00 O ATOM 0 H GLY A 84 -7.240 2.568 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.221 4.555 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.892 3.434 -2.962 1.00 0.00 H new ATOM 1229 N THR A 85 -6.680 6.460 -3.408 1.00 0.00 N ATOM 1230 CA THR A 85 -5.815 7.625 -3.547 1.00 0.00 C ATOM 1231 C THR A 85 -5.031 7.851 -2.262 1.00 0.00 C ATOM 1232 O THR A 85 -5.541 7.609 -1.168 1.00 0.00 O ATOM 1233 CB THR A 85 -6.621 8.896 -3.876 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.548 9.177 -2.820 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.375 8.733 -5.187 1.00 0.00 C ATOM 0 H THR A 85 -7.549 6.640 -2.906 1.00 0.00 H new ATOM 0 HA THR A 85 -5.131 7.427 -4.372 1.00 0.00 H new ATOM 0 HB THR A 85 -5.922 9.726 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.055 9.987 -3.037 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.937 9.643 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.666 8.548 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.063 7.891 -5.109 1.00 0.00 H new ATOM 1243 N SER A 86 -3.791 8.308 -2.390 1.00 0.00 N ATOM 1244 CA SER A 86 -2.957 8.550 -1.219 1.00 0.00 C ATOM 1245 C SER A 86 -2.076 9.777 -1.397 1.00 0.00 C ATOM 1246 O SER A 86 -1.296 9.868 -2.346 1.00 0.00 O ATOM 1247 CB SER A 86 -2.082 7.330 -0.932 1.00 0.00 C ATOM 1248 OG SER A 86 -1.281 7.002 -2.054 1.00 0.00 O ATOM 0 H SER A 86 -3.344 8.517 -3.283 1.00 0.00 H new ATOM 0 HA SER A 86 -3.624 8.731 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.444 7.531 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.712 6.480 -0.670 1.00 0.00 H new ATOM 0 HG SER A 86 -0.995 7.825 -2.503 1.00 0.00 H new ATOM 1254 N THR A 87 -2.198 10.709 -0.461 1.00 0.00 N ATOM 1255 CA THR A 87 -1.406 11.929 -0.482 1.00 0.00 C ATOM 1256 C THR A 87 -0.017 11.666 0.088 1.00 0.00 C ATOM 1257 O THR A 87 0.955 12.329 -0.277 1.00 0.00 O ATOM 1258 CB THR A 87 -2.081 13.054 0.325 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.213 12.661 1.696 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.455 13.380 -0.244 1.00 0.00 C ATOM 0 H THR A 87 -2.843 10.641 0.327 1.00 0.00 H new ATOM 0 HA THR A 87 -1.325 12.249 -1.521 1.00 0.00 H new ATOM 0 HB THR A 87 -1.455 13.944 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.641 13.382 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.912 14.177 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.352 13.704 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.086 12.492 -0.203 1.00 0.00 H new ATOM 1268 N VAL A 88 0.062 10.692 0.992 1.00 0.00 N ATOM 1269 CA VAL A 88 1.323 10.328 1.626 1.00 0.00 C ATOM 1270 C VAL A 88 2.123 9.367 0.755 1.00 0.00 C ATOM 1271 O VAL A 88 1.560 8.483 0.108 1.00 0.00 O ATOM 1272 CB VAL A 88 1.090 9.682 3.008 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.382 10.654 3.939 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.295 8.392 2.873 1.00 0.00 C ATOM 0 H VAL A 88 -0.738 10.140 1.302 1.00 0.00 H new ATOM 0 HA VAL A 88 1.890 11.250 1.754 1.00 0.00 H new ATOM 0 HB VAL A 88 2.061 9.439 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.226 10.181 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.993 11.548 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.582 10.931 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.142 7.954 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.672 8.606 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.844 7.690 2.245 1.00 0.00 H new ATOM 1284 N SER A 89 3.440 9.548 0.740 1.00 0.00 N ATOM 1285 CA SER A 89 4.320 8.700 -0.054 1.00 0.00 C ATOM 1286 C SER A 89 5.474 8.170 0.790 1.00 0.00 C ATOM 1287 O SER A 89 6.041 8.894 1.609 1.00 0.00 O ATOM 1288 CB SER A 89 4.863 9.476 -1.254 1.00 0.00 C ATOM 1289 OG SER A 89 5.564 10.635 -0.840 1.00 0.00 O ATOM 0 H SER A 89 3.921 10.275 1.269 1.00 0.00 H new ATOM 0 HA SER A 89 3.738 7.851 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.526 8.835 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.040 9.760 -1.909 1.00 0.00 H new ATOM 0 HG SER A 89 5.902 11.111 -1.627 1.00 0.00 H new ATOM 1295 N PHE A 90 5.812 6.901 0.586 1.00 0.00 N ATOM 1296 CA PHE A 90 6.893 6.267 1.330 1.00 0.00 C ATOM 1297 C PHE A 90 8.246 6.521 0.671 1.00 0.00 C ATOM 1298 O PHE A 90 8.416 6.289 -0.525 1.00 0.00 O ATOM 1299 CB PHE A 90 6.651 4.758 1.432 1.00 0.00 C ATOM 1300 CG PHE A 90 7.767 4.014 2.111 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.148 4.334 3.405 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.440 2.998 1.452 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.177 3.654 4.027 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.470 2.315 2.069 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.839 2.644 3.358 1.00 0.00 C ATOM 0 H PHE A 90 5.352 6.291 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 90 6.908 6.704 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.724 4.583 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.512 4.352 0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.634 5.124 3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.156 2.737 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.463 3.912 5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.986 1.525 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.644 2.112 3.842 1.00 0.00 H new ATOM 1315 N LYS A 91 9.209 6.980 1.465 1.00 0.00 N ATOM 1316 CA LYS A 91 10.550 7.243 0.960 1.00 0.00 C ATOM 1317 C LYS A 91 11.357 5.949 0.917 1.00 0.00 C ATOM 1318 O LYS A 91 11.640 5.353 1.957 1.00 0.00 O ATOM 1319 CB LYS A 91 11.259 8.272 1.843 1.00 0.00 C ATOM 1320 CG LYS A 91 12.664 8.615 1.372 1.00 0.00 C ATOM 1321 CD LYS A 91 13.347 9.595 2.313 1.00 0.00 C ATOM 1322 CE LYS A 91 13.535 9.002 3.701 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.215 9.952 4.624 1.00 0.00 N ATOM 0 H LYS A 91 9.085 7.177 2.458 1.00 0.00 H new ATOM 0 HA LYS A 91 10.469 7.645 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.663 9.184 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.310 7.890 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.257 7.703 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.618 9.043 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.317 9.878 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.753 10.506 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.564 8.728 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.120 8.085 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.324 9.510 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.152 10.194 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.644 10.817 4.714 1.00 0.00 H new ATOM 1337 N LEU A 92 11.716 5.511 -0.285 1.00 0.00 N ATOM 1338 CA LEU A 92 12.479 4.279 -0.445 1.00 0.00 C ATOM 1339 C LEU A 92 13.958 4.497 -0.143 1.00 0.00 C ATOM 1340 O LEU A 92 14.576 5.431 -0.655 1.00 0.00 O ATOM 1341 CB LEU A 92 12.317 3.725 -1.861 1.00 0.00 C ATOM 1342 CG LEU A 92 12.982 2.369 -2.100 1.00 0.00 C ATOM 1343 CD1 LEU A 92 12.343 1.302 -1.226 1.00 0.00 C ATOM 1344 CD2 LEU A 92 12.896 1.982 -3.568 1.00 0.00 C ATOM 0 H LEU A 92 11.492 5.988 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 92 12.086 3.556 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.253 3.636 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.730 4.446 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 92 14.035 2.449 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.828 0.343 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.459 1.573 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.282 1.223 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.375 1.014 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.850 1.919 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.402 2.735 -4.173 1.00 0.00 H new ATOM 1356 N LEU A 93 14.520 3.621 0.684 1.00 0.00 N ATOM 1357 CA LEU A 93 15.929 3.704 1.050 1.00 0.00 C ATOM 1358 C LEU A 93 16.761 2.738 0.217 1.00 0.00 C ATOM 1359 O LEU A 93 16.333 1.618 -0.066 1.00 0.00 O ATOM 1360 CB LEU A 93 16.113 3.408 2.539 1.00 0.00 C ATOM 1361 CG LEU A 93 15.358 4.343 3.487 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.663 3.993 4.933 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.708 5.796 3.202 1.00 0.00 C ATOM 0 H LEU A 93 14.019 2.844 1.114 1.00 0.00 H new ATOM 0 HA LEU A 93 16.273 4.719 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.792 2.384 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.176 3.459 2.775 1.00 0.00 H new ATOM 0 HG LEU A 93 14.289 4.212 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.118 4.668 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.357 2.966 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.733 4.094 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.160 6.443 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.779 5.946 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.436 6.041 2.175 1.00 0.00 H new ATOM 1375 N LYS A 94 17.952 3.177 -0.175 1.00 0.00 N ATOM 1376 CA LYS A 94 18.845 2.350 -0.979 1.00 0.00 C ATOM 1377 C LYS A 94 19.243 1.081 -0.226 1.00 0.00 C ATOM 1378 O LYS A 94 19.789 1.150 0.875 1.00 0.00 O ATOM 1379 CB LYS A 94 20.099 3.141 -1.359 1.00 0.00 C ATOM 1380 CG LYS A 94 19.809 4.390 -2.174 1.00 0.00 C ATOM 1381 CD LYS A 94 21.086 5.145 -2.505 1.00 0.00 C ATOM 1382 CE LYS A 94 20.803 6.372 -3.355 1.00 0.00 C ATOM 1383 NZ LYS A 94 19.898 7.332 -2.666 1.00 0.00 N ATOM 0 H LYS A 94 18.322 4.101 0.051 1.00 0.00 H new ATOM 0 HA LYS A 94 18.312 2.061 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.628 3.426 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.768 2.494 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.298 4.114 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.134 5.040 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.581 5.447 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.773 4.485 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.742 6.869 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.353 6.063 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.905 8.240 -3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.931 6.950 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.225 7.478 -1.690 1.00 0.00 H new ATOM 1397 N PRO A 95 18.982 -0.103 -0.816 1.00 0.00 N ATOM 1398 CA PRO A 95 19.326 -1.384 -0.193 1.00 0.00 C ATOM 1399 C PRO A 95 20.825 -1.661 -0.247 1.00 0.00 C ATOM 1400 O PRO A 95 21.460 -1.481 -1.285 1.00 0.00 O ATOM 1401 CB PRO A 95 18.560 -2.402 -1.036 1.00 0.00 C ATOM 1402 CG PRO A 95 18.439 -1.766 -2.378 1.00 0.00 C ATOM 1403 CD PRO A 95 18.339 -0.284 -2.134 1.00 0.00 C ATOM 0 HA PRO A 95 19.068 -1.411 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 95 19.094 -3.350 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.580 -2.614 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.303 -2.001 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.559 -2.134 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.850 0.285 -2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.302 0.051 -2.123 1.00 0.00 H new