USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 35:sc= 0.0308 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.241 F(o=-1.3,f=-0.24) USER MOD Single : A 14 MET CE :methyl -170:sc= -1.39 (180deg=-1.64) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -74:sc= 1.25 USER MOD Single : A 25 SER OG : rot -22:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 1.2 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.534 F(o=-2.8!,f=-0.53) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 43:sc= 0.101 USER MOD Single : A 71 GLN : amide:sc= -0.995 K(o=-1,f=-6.2!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.247 F(o=-1.8,f=-0.25) USER MOD Single : A 80 SER OG : rot 65:sc= 0.693 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 154:sc= -2 USER MOD Single : A 102 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.249 X(o=-0.25,f=0.043) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc=-0.00209 K(o=-0.0021,f=-0.78) USER MOD Single : A 120 MET CE :methyl 164:sc= -0.176 (180deg=-0.64) USER MOD ----------------------------------------------------------------- ATOM 55 N THR A 5 19.490 5.105 -0.399 1.00 0.00 N ATOM 56 CA THR A 5 19.207 5.960 0.745 1.00 0.00 C ATOM 57 C THR A 5 17.695 6.131 0.936 1.00 0.00 C ATOM 58 O THR A 5 17.160 5.687 1.945 1.00 0.00 O ATOM 59 CB THR A 5 19.881 7.354 0.630 1.00 0.00 C ATOM 60 OG1 THR A 5 21.303 7.224 0.508 1.00 0.00 O ATOM 61 CG2 THR A 5 19.561 8.210 1.844 1.00 0.00 C ATOM 0 HA THR A 5 19.630 5.460 1.616 1.00 0.00 H new ATOM 0 HB THR A 5 19.487 7.837 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 5 21.515 6.422 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 5 20.044 9.182 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.482 8.347 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 5 19.927 7.716 2.744 1.00 0.00 H new ATOM 69 N PRO A 6 16.972 6.736 -0.037 1.00 0.00 N ATOM 70 CA PRO A 6 15.545 7.054 0.136 1.00 0.00 C ATOM 71 C PRO A 6 14.674 5.827 0.397 1.00 0.00 C ATOM 72 O PRO A 6 14.204 5.622 1.516 1.00 0.00 O ATOM 73 CB PRO A 6 15.148 7.726 -1.183 1.00 0.00 C ATOM 74 CG PRO A 6 16.201 7.330 -2.159 1.00 0.00 C ATOM 75 CD PRO A 6 17.462 7.171 -1.363 1.00 0.00 C ATOM 0 HA PRO A 6 15.393 7.685 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.163 7.395 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.101 8.809 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 6 15.937 6.400 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.321 8.088 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.129 6.432 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 6 18.019 8.106 -1.300 1.00 0.00 H new ATOM 83 N PHE A 7 14.463 5.009 -0.627 1.00 0.00 N ATOM 84 CA PHE A 7 13.634 3.821 -0.476 1.00 0.00 C ATOM 85 C PHE A 7 14.286 2.852 0.499 1.00 0.00 C ATOM 86 O PHE A 7 13.604 2.150 1.234 1.00 0.00 O ATOM 87 CB PHE A 7 13.394 3.137 -1.823 1.00 0.00 C ATOM 88 CG PHE A 7 12.335 2.067 -1.761 1.00 0.00 C ATOM 89 CD1 PHE A 7 12.665 0.758 -1.446 1.00 0.00 C ATOM 90 CD2 PHE A 7 11.008 2.375 -2.004 1.00 0.00 C ATOM 91 CE1 PHE A 7 11.692 -0.221 -1.377 1.00 0.00 C ATOM 92 CE2 PHE A 7 10.030 1.401 -1.938 1.00 0.00 C ATOM 93 CZ PHE A 7 10.373 0.101 -1.623 1.00 0.00 C ATOM 0 H PHE A 7 14.850 5.144 -1.561 1.00 0.00 H new ATOM 0 HA PHE A 7 12.666 4.130 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 7 13.102 3.887 -2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.328 2.696 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.696 0.500 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.733 3.390 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.964 -1.237 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.999 1.656 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.611 -0.662 -1.569 1.00 0.00 H new ATOM 103 N ASP A 8 15.613 2.827 0.493 1.00 0.00 N ATOM 104 CA ASP A 8 16.378 1.962 1.386 1.00 0.00 C ATOM 105 C ASP A 8 15.995 2.216 2.833 1.00 0.00 C ATOM 106 O ASP A 8 15.650 1.293 3.574 1.00 0.00 O ATOM 107 CB ASP A 8 17.868 2.232 1.209 1.00 0.00 C ATOM 108 CG ASP A 8 18.737 1.119 1.761 1.00 0.00 C ATOM 109 OD1 ASP A 8 18.846 0.065 1.097 1.00 0.00 O ATOM 110 OD2 ASP A 8 19.331 1.300 2.843 1.00 0.00 O ATOM 0 H ASP A 8 16.187 3.400 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 8 16.155 0.925 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 8 18.085 2.364 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 8 18.125 3.167 1.706 1.00 0.00 H new ATOM 115 N ALA A 9 16.039 3.481 3.219 1.00 0.00 N ATOM 116 CA ALA A 9 15.680 3.872 4.575 1.00 0.00 C ATOM 117 C ALA A 9 14.205 3.603 4.850 1.00 0.00 C ATOM 118 O ALA A 9 13.848 3.070 5.900 1.00 0.00 O ATOM 119 CB ALA A 9 16.008 5.337 4.815 1.00 0.00 C ATOM 0 H ALA A 9 16.319 4.254 2.615 1.00 0.00 H new ATOM 0 HA ALA A 9 16.269 3.268 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.732 5.609 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.077 5.499 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.451 5.955 4.111 1.00 0.00 H new ATOM 125 N LEU A 10 13.356 3.956 3.890 1.00 0.00 N ATOM 126 CA LEU A 10 11.915 3.784 4.029 1.00 0.00 C ATOM 127 C LEU A 10 11.544 2.313 4.182 1.00 0.00 C ATOM 128 O LEU A 10 10.672 1.966 4.980 1.00 0.00 O ATOM 129 CB LEU A 10 11.195 4.395 2.824 1.00 0.00 C ATOM 130 CG LEU A 10 10.632 5.804 3.047 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.522 5.773 4.087 1.00 0.00 C ATOM 132 CD2 LEU A 10 11.736 6.767 3.468 1.00 0.00 C ATOM 0 H LEU A 10 13.644 4.366 3.002 1.00 0.00 H new ATOM 0 HA LEU A 10 11.597 4.302 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.889 4.427 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.376 3.735 2.537 1.00 0.00 H new ATOM 0 HG LEU A 10 10.214 6.159 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.133 6.781 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.719 5.121 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.917 5.396 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.314 7.760 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.188 6.418 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.496 6.812 2.688 1.00 0.00 H new ATOM 144 N TRP A 11 12.214 1.452 3.432 1.00 0.00 N ATOM 145 CA TRP A 11 11.960 0.025 3.515 1.00 0.00 C ATOM 146 C TRP A 11 12.362 -0.480 4.891 1.00 0.00 C ATOM 147 O TRP A 11 11.620 -1.221 5.527 1.00 0.00 O ATOM 148 CB TRP A 11 12.716 -0.733 2.419 1.00 0.00 C ATOM 149 CG TRP A 11 12.085 -2.047 2.068 1.00 0.00 C ATOM 150 CD1 TRP A 11 10.781 -2.400 2.254 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.718 -3.176 1.453 1.00 0.00 C ATOM 152 NE1 TRP A 11 10.564 -3.675 1.800 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.734 -4.172 1.298 1.00 0.00 C ATOM 154 CE3 TRP A 11 14.017 -3.442 1.013 1.00 0.00 C ATOM 155 CZ2 TRP A 11 12.009 -5.410 0.731 1.00 0.00 C ATOM 156 CZ3 TRP A 11 14.289 -4.674 0.451 1.00 0.00 C ATOM 157 CH2 TRP A 11 13.285 -5.643 0.310 1.00 0.00 C ATOM 0 H TRP A 11 12.935 1.717 2.761 1.00 0.00 H new ATOM 0 HA TRP A 11 10.895 -0.153 3.363 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.767 -0.111 1.525 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.741 -0.905 2.746 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.027 -1.766 2.696 1.00 0.00 H new ATOM 0 HE1 TRP A 11 9.674 -4.172 1.832 1.00 0.00 H new ATOM 0 HE3 TRP A 11 14.794 -2.698 1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.240 -6.161 0.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 15.291 -4.895 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 11 13.527 -6.594 -0.141 1.00 0.00 H new ATOM 168 N GLN A 12 13.528 -0.044 5.353 1.00 0.00 N ATOM 169 CA GLN A 12 13.996 -0.368 6.694 1.00 0.00 C ATOM 170 C GLN A 12 13.004 0.107 7.755 1.00 0.00 C ATOM 171 O GLN A 12 12.755 -0.588 8.741 1.00 0.00 O ATOM 172 CB GLN A 12 15.374 0.251 6.929 1.00 0.00 C ATOM 173 CG GLN A 12 16.516 -0.633 6.462 1.00 0.00 C ATOM 174 CD GLN A 12 16.604 -1.928 7.252 1.00 0.00 C ATOM 175 OE1 GLN A 12 16.242 -1.877 8.525 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 17.006 -2.963 6.725 1.00 0.00 N flip ATOM 0 H GLN A 12 14.170 0.538 4.815 1.00 0.00 H new ATOM 0 HA GLN A 12 14.076 -1.452 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.428 1.208 6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.495 0.458 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.385 -0.863 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.456 -0.088 6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.276 -2.963 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.070 -3.822 7.271 1.00 0.00 H new ATOM 185 N ARG A 13 12.427 1.283 7.540 1.00 0.00 N ATOM 186 CA ARG A 13 11.411 1.813 8.440 1.00 0.00 C ATOM 187 C ARG A 13 10.200 0.893 8.482 1.00 0.00 C ATOM 188 O ARG A 13 9.752 0.481 9.555 1.00 0.00 O ATOM 189 CB ARG A 13 10.979 3.216 8.015 1.00 0.00 C ATOM 190 CG ARG A 13 12.088 4.251 8.093 1.00 0.00 C ATOM 191 CD ARG A 13 12.789 4.228 9.441 1.00 0.00 C ATOM 192 NE ARG A 13 13.805 5.272 9.546 1.00 0.00 N ATOM 193 CZ ARG A 13 15.110 5.070 9.362 1.00 0.00 C ATOM 194 NH1 ARG A 13 15.562 3.870 9.010 1.00 0.00 N ATOM 195 NH2 ARG A 13 15.959 6.077 9.522 1.00 0.00 N ATOM 0 H ARG A 13 12.646 1.888 6.749 1.00 0.00 H new ATOM 0 HA ARG A 13 11.849 1.871 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.604 3.176 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.150 3.537 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.815 4.065 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.672 5.243 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.053 4.357 10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.253 3.253 9.592 1.00 0.00 H new ATOM 0 HE ARG A 13 13.496 6.217 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.909 3.097 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.562 3.722 8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.612 7.000 9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.958 5.928 9.383 1.00 0.00 H new ATOM 209 N MET A 14 9.668 0.588 7.306 1.00 0.00 N ATOM 210 CA MET A 14 8.515 -0.296 7.179 1.00 0.00 C ATOM 211 C MET A 14 8.830 -1.692 7.719 1.00 0.00 C ATOM 212 O MET A 14 7.955 -2.369 8.264 1.00 0.00 O ATOM 213 CB MET A 14 8.063 -0.375 5.719 1.00 0.00 C ATOM 214 CG MET A 14 7.547 0.949 5.175 1.00 0.00 C ATOM 215 SD MET A 14 6.877 0.811 3.508 1.00 0.00 S ATOM 216 CE MET A 14 8.339 0.377 2.572 1.00 0.00 C ATOM 0 H MET A 14 10.020 0.944 6.417 1.00 0.00 H new ATOM 0 HA MET A 14 7.702 0.119 7.775 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.899 -0.711 5.105 1.00 0.00 H new ATOM 0 HB3 MET A 14 7.279 -1.127 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.774 1.333 5.841 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.358 1.677 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.118 0.433 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.144 1.071 2.813 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.646 -0.637 2.827 1.00 0.00 H new ATOM 226 N LEU A 15 10.078 -2.113 7.574 1.00 0.00 N ATOM 227 CA LEU A 15 10.525 -3.387 8.123 1.00 0.00 C ATOM 228 C LEU A 15 10.497 -3.354 9.647 1.00 0.00 C ATOM 229 O LEU A 15 10.100 -4.322 10.292 1.00 0.00 O ATOM 230 CB LEU A 15 11.936 -3.721 7.628 1.00 0.00 C ATOM 231 CG LEU A 15 12.015 -4.780 6.523 1.00 0.00 C ATOM 232 CD1 LEU A 15 11.584 -6.135 7.058 1.00 0.00 C ATOM 233 CD2 LEU A 15 11.158 -4.388 5.333 1.00 0.00 C ATOM 0 H LEU A 15 10.801 -1.590 7.080 1.00 0.00 H new ATOM 0 HA LEU A 15 9.842 -4.164 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.400 -2.805 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.529 -4.062 8.477 1.00 0.00 H new ATOM 0 HG LEU A 15 13.051 -4.846 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.645 -6.877 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.240 -6.428 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.557 -6.074 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.232 -5.156 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.120 -4.289 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.507 -3.437 4.931 1.00 0.00 H new ATOM 245 N ALA A 16 10.904 -2.226 10.217 1.00 0.00 N ATOM 246 CA ALA A 16 10.881 -2.042 11.665 1.00 0.00 C ATOM 247 C ALA A 16 9.448 -2.001 12.190 1.00 0.00 C ATOM 248 O ALA A 16 9.203 -2.227 13.377 1.00 0.00 O ATOM 249 CB ALA A 16 11.628 -0.773 12.052 1.00 0.00 C ATOM 0 H ALA A 16 11.255 -1.422 9.697 1.00 0.00 H new ATOM 0 HA ALA A 16 11.383 -2.895 12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.601 -0.651 13.135 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.664 -0.845 11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.154 0.087 11.578 1.00 0.00 H new ATOM 255 N ARG A 17 8.505 -1.695 11.302 1.00 0.00 N ATOM 256 CA ARG A 17 7.091 -1.699 11.654 1.00 0.00 C ATOM 257 C ARG A 17 6.595 -3.128 11.854 1.00 0.00 C ATOM 258 O ARG A 17 5.729 -3.385 12.690 1.00 0.00 O ATOM 259 CB ARG A 17 6.257 -1.024 10.566 1.00 0.00 C ATOM 260 CG ARG A 17 6.644 0.413 10.275 1.00 0.00 C ATOM 261 CD ARG A 17 6.493 1.301 11.495 1.00 0.00 C ATOM 262 NE ARG A 17 7.724 1.407 12.278 1.00 0.00 N ATOM 263 CZ ARG A 17 7.814 2.094 13.418 1.00 0.00 C ATOM 264 NH1 ARG A 17 6.721 2.620 13.965 1.00 0.00 N ATOM 265 NH2 ARG A 17 8.985 2.232 14.024 1.00 0.00 N ATOM 0 H ARG A 17 8.697 -1.441 10.333 1.00 0.00 H new ATOM 0 HA ARG A 17 6.978 -1.142 12.584 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.345 -1.603 9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.208 -1.051 10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.677 0.447 9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.023 0.799 9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.184 2.297 11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.698 0.907 12.129 1.00 0.00 H new ATOM 0 HE ARG A 17 8.558 0.930 11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.815 2.498 13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.789 3.145 14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.822 1.812 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.049 2.758 14.895 1.00 0.00 H new ATOM 279 N GLY A 18 7.156 -4.049 11.081 1.00 0.00 N ATOM 280 CA GLY A 18 6.762 -5.441 11.182 1.00 0.00 C ATOM 281 C GLY A 18 5.867 -5.886 10.042 1.00 0.00 C ATOM 282 O GLY A 18 4.917 -6.639 10.250 1.00 0.00 O ATOM 0 H GLY A 18 7.877 -3.857 10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.655 -6.066 11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.243 -5.599 12.127 1.00 0.00 H new ATOM 286 N TRP A 19 6.158 -5.414 8.836 1.00 0.00 N ATOM 287 CA TRP A 19 5.397 -5.810 7.663 1.00 0.00 C ATOM 288 C TRP A 19 6.162 -6.852 6.859 1.00 0.00 C ATOM 289 O TRP A 19 7.311 -7.170 7.170 1.00 0.00 O ATOM 290 CB TRP A 19 5.060 -4.592 6.799 1.00 0.00 C ATOM 291 CG TRP A 19 4.113 -3.642 7.471 1.00 0.00 C ATOM 292 CD1 TRP A 19 3.163 -3.959 8.399 1.00 0.00 C ATOM 293 CD2 TRP A 19 4.009 -2.229 7.260 1.00 0.00 C ATOM 294 NE1 TRP A 19 2.481 -2.830 8.784 1.00 0.00 N ATOM 295 CE2 TRP A 19 2.981 -1.755 8.098 1.00 0.00 C ATOM 296 CE3 TRP A 19 4.688 -1.317 6.445 1.00 0.00 C ATOM 297 CZ2 TRP A 19 2.618 -0.412 8.143 1.00 0.00 C ATOM 298 CZ3 TRP A 19 4.324 0.016 6.491 1.00 0.00 C ATOM 299 CH2 TRP A 19 3.299 0.458 7.335 1.00 0.00 C ATOM 0 H TRP A 19 6.915 -4.757 8.647 1.00 0.00 H new ATOM 0 HA TRP A 19 4.460 -6.256 7.995 1.00 0.00 H new ATOM 0 HB2 TRP A 19 5.980 -4.064 6.550 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.622 -4.929 5.860 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.975 -4.953 8.776 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.726 -2.798 9.469 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.482 -1.648 5.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.827 -0.068 8.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.840 0.729 5.865 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.040 1.506 7.349 1.00 0.00 H new ATOM 310 N THR A 20 5.530 -7.381 5.829 1.00 0.00 N ATOM 311 CA THR A 20 6.105 -8.475 5.069 1.00 0.00 C ATOM 312 C THR A 20 6.713 -7.992 3.750 1.00 0.00 C ATOM 313 O THR A 20 6.015 -7.446 2.895 1.00 0.00 O ATOM 314 CB THR A 20 5.041 -9.550 4.783 1.00 0.00 C ATOM 315 OG1 THR A 20 4.407 -9.936 6.013 1.00 0.00 O ATOM 316 CG2 THR A 20 5.663 -10.776 4.125 1.00 0.00 C ATOM 0 H THR A 20 4.616 -7.070 5.499 1.00 0.00 H new ATOM 0 HA THR A 20 6.903 -8.904 5.675 1.00 0.00 H new ATOM 0 HB THR A 20 4.304 -9.130 4.099 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.728 -10.619 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.889 -11.519 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.128 -10.487 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.418 -11.200 4.787 1.00 0.00 H new ATOM 324 N PRO A 21 8.031 -8.177 3.583 1.00 0.00 N ATOM 325 CA PRO A 21 8.736 -7.866 2.342 1.00 0.00 C ATOM 326 C PRO A 21 8.559 -8.972 1.306 1.00 0.00 C ATOM 327 O PRO A 21 8.819 -10.143 1.584 1.00 0.00 O ATOM 328 CB PRO A 21 10.210 -7.770 2.768 1.00 0.00 C ATOM 329 CG PRO A 21 10.236 -8.014 4.245 1.00 0.00 C ATOM 330 CD PRO A 21 8.949 -8.699 4.593 1.00 0.00 C ATOM 0 HA PRO A 21 8.361 -6.955 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.816 -8.507 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.621 -6.789 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.090 -8.633 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.334 -7.075 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.039 -9.784 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.621 -8.457 5.604 1.00 0.00 H new ATOM 338 N VAL A 22 8.119 -8.596 0.119 1.00 0.00 N ATOM 339 CA VAL A 22 7.882 -9.551 -0.951 1.00 0.00 C ATOM 340 C VAL A 22 8.445 -9.018 -2.264 1.00 0.00 C ATOM 341 O VAL A 22 8.393 -7.819 -2.534 1.00 0.00 O ATOM 342 CB VAL A 22 6.371 -9.853 -1.102 1.00 0.00 C ATOM 343 CG1 VAL A 22 5.597 -8.597 -1.470 1.00 0.00 C ATOM 344 CG2 VAL A 22 6.127 -10.958 -2.121 1.00 0.00 C ATOM 0 H VAL A 22 7.917 -7.628 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 22 8.390 -10.481 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 22 6.007 -10.204 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.539 -8.838 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.727 -7.848 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.970 -8.204 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.057 -11.147 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.518 -10.651 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.632 -11.869 -1.798 1.00 0.00 H new ATOM 354 N SER A 23 9.006 -9.904 -3.066 1.00 0.00 N ATOM 355 CA SER A 23 9.584 -9.517 -4.340 1.00 0.00 C ATOM 356 C SER A 23 8.611 -9.764 -5.493 1.00 0.00 C ATOM 357 O SER A 23 7.601 -10.450 -5.335 1.00 0.00 O ATOM 358 CB SER A 23 10.896 -10.269 -4.565 1.00 0.00 C ATOM 359 OG SER A 23 11.837 -9.940 -3.556 1.00 0.00 O ATOM 0 H SER A 23 9.074 -10.900 -2.857 1.00 0.00 H new ATOM 0 HA SER A 23 9.789 -8.447 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.711 -11.343 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.302 -10.018 -5.545 1.00 0.00 H new ATOM 0 HG SER A 23 12.190 -9.040 -3.719 1.00 0.00 H new ATOM 365 N GLU A 24 8.947 -9.205 -6.651 1.00 0.00 N ATOM 366 CA GLU A 24 8.102 -9.253 -7.844 1.00 0.00 C ATOM 367 C GLU A 24 7.681 -10.678 -8.202 1.00 0.00 C ATOM 368 O GLU A 24 6.494 -10.960 -8.360 1.00 0.00 O ATOM 369 CB GLU A 24 8.846 -8.578 -9.008 1.00 0.00 C ATOM 370 CG GLU A 24 8.275 -8.860 -10.390 1.00 0.00 C ATOM 371 CD GLU A 24 9.054 -9.942 -11.122 1.00 0.00 C ATOM 372 OE1 GLU A 24 10.185 -9.663 -11.571 1.00 0.00 O ATOM 373 OE2 GLU A 24 8.549 -11.076 -11.244 1.00 0.00 O ATOM 0 H GLU A 24 9.822 -8.700 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 24 7.179 -8.712 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.844 -7.500 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.887 -8.901 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.233 -9.165 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.286 -7.944 -10.980 1.00 0.00 H new ATOM 380 N SER A 25 8.646 -11.579 -8.290 1.00 0.00 N ATOM 381 CA SER A 25 8.375 -12.941 -8.729 1.00 0.00 C ATOM 382 C SER A 25 7.691 -13.765 -7.635 1.00 0.00 C ATOM 383 O SER A 25 7.274 -14.901 -7.866 1.00 0.00 O ATOM 384 CB SER A 25 9.682 -13.598 -9.153 1.00 0.00 C ATOM 385 OG SER A 25 10.324 -12.831 -10.163 1.00 0.00 O ATOM 0 H SER A 25 9.623 -11.394 -8.064 1.00 0.00 H new ATOM 0 HA SER A 25 7.689 -12.901 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.341 -13.698 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.486 -14.604 -9.523 1.00 0.00 H new ATOM 0 HG SER A 25 9.662 -12.269 -10.617 1.00 0.00 H new ATOM 391 N ARG A 26 7.560 -13.178 -6.456 1.00 0.00 N ATOM 392 CA ARG A 26 6.953 -13.859 -5.320 1.00 0.00 C ATOM 393 C ARG A 26 5.567 -13.296 -5.048 1.00 0.00 C ATOM 394 O ARG A 26 4.736 -13.951 -4.419 1.00 0.00 O ATOM 395 CB ARG A 26 7.830 -13.697 -4.077 1.00 0.00 C ATOM 396 CG ARG A 26 7.336 -14.476 -2.868 1.00 0.00 C ATOM 397 CD ARG A 26 7.580 -15.966 -3.026 1.00 0.00 C ATOM 398 NE ARG A 26 6.894 -16.742 -1.994 1.00 0.00 N ATOM 399 CZ ARG A 26 7.480 -17.209 -0.891 1.00 0.00 C ATOM 400 NH1 ARG A 26 8.748 -16.922 -0.618 1.00 0.00 N ATOM 401 NH2 ARG A 26 6.781 -17.946 -0.040 1.00 0.00 N ATOM 0 H ARG A 26 7.868 -12.226 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 26 6.865 -14.919 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.844 -14.019 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.884 -12.640 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.842 -14.117 -1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.271 -14.294 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.238 -16.288 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.651 -16.166 -2.979 1.00 0.00 H new ATOM 0 HE ARG A 26 5.902 -16.939 -2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.287 -16.337 -1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.182 -17.287 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.801 -18.153 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.223 -18.306 0.806 1.00 0.00 H new ATOM 415 N LEU A 27 5.328 -12.087 -5.544 1.00 0.00 N ATOM 416 CA LEU A 27 4.074 -11.379 -5.318 1.00 0.00 C ATOM 417 C LEU A 27 2.896 -12.226 -5.783 1.00 0.00 C ATOM 418 O LEU A 27 1.888 -12.325 -5.095 1.00 0.00 O ATOM 419 CB LEU A 27 4.105 -10.028 -6.056 1.00 0.00 C ATOM 420 CG LEU A 27 3.030 -8.996 -5.662 1.00 0.00 C ATOM 421 CD1 LEU A 27 1.672 -9.347 -6.257 1.00 0.00 C ATOM 422 CD2 LEU A 27 2.930 -8.874 -4.148 1.00 0.00 C ATOM 0 H LEU A 27 5.998 -11.571 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 27 3.952 -11.193 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.084 -9.576 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.014 -10.222 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 27 3.335 -8.033 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.939 -8.598 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.746 -9.369 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.358 -10.326 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.166 -8.140 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.662 -9.841 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.890 -8.553 -3.745 1.00 0.00 H new ATOM 434 N ASP A 28 3.048 -12.865 -6.934 1.00 0.00 N ATOM 435 CA ASP A 28 1.964 -13.657 -7.519 1.00 0.00 C ATOM 436 C ASP A 28 1.681 -14.890 -6.667 1.00 0.00 C ATOM 437 O ASP A 28 0.530 -15.203 -6.355 1.00 0.00 O ATOM 438 CB ASP A 28 2.325 -14.080 -8.945 1.00 0.00 C ATOM 439 CG ASP A 28 1.226 -14.880 -9.619 1.00 0.00 C ATOM 440 OD1 ASP A 28 0.321 -14.264 -10.218 1.00 0.00 O ATOM 441 OD2 ASP A 28 1.272 -16.127 -9.571 1.00 0.00 O ATOM 0 H ASP A 28 3.907 -12.854 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 28 1.066 -13.039 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.538 -13.191 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.238 -14.674 -8.922 1.00 0.00 H new ATOM 446 N ASP A 29 2.752 -15.570 -6.283 1.00 0.00 N ATOM 447 CA ASP A 29 2.669 -16.764 -5.448 1.00 0.00 C ATOM 448 C ASP A 29 2.023 -16.432 -4.115 1.00 0.00 C ATOM 449 O ASP A 29 1.047 -17.053 -3.692 1.00 0.00 O ATOM 450 CB ASP A 29 4.074 -17.300 -5.197 1.00 0.00 C ATOM 451 CG ASP A 29 4.082 -18.691 -4.593 1.00 0.00 C ATOM 452 OD1 ASP A 29 3.480 -19.609 -5.188 1.00 0.00 O ATOM 453 OD2 ASP A 29 4.709 -18.870 -3.528 1.00 0.00 O ATOM 0 H ASP A 29 3.704 -15.311 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 29 2.065 -17.512 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.624 -17.316 -6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.603 -16.618 -4.531 1.00 0.00 H new ATOM 458 N TRP A 30 2.591 -15.435 -3.469 1.00 0.00 N ATOM 459 CA TRP A 30 2.106 -14.975 -2.178 1.00 0.00 C ATOM 460 C TRP A 30 0.642 -14.550 -2.270 1.00 0.00 C ATOM 461 O TRP A 30 -0.162 -14.890 -1.406 1.00 0.00 O ATOM 462 CB TRP A 30 2.960 -13.803 -1.685 1.00 0.00 C ATOM 463 CG TRP A 30 2.954 -13.642 -0.192 1.00 0.00 C ATOM 464 CD1 TRP A 30 1.960 -13.109 0.582 1.00 0.00 C ATOM 465 CD2 TRP A 30 4.005 -14.018 0.705 1.00 0.00 C ATOM 466 NE1 TRP A 30 2.333 -13.134 1.907 1.00 0.00 N ATOM 467 CE2 TRP A 30 3.582 -13.689 2.006 1.00 0.00 C ATOM 468 CE3 TRP A 30 5.263 -14.606 0.535 1.00 0.00 C ATOM 469 CZ2 TRP A 30 4.371 -13.924 3.127 1.00 0.00 C ATOM 470 CZ3 TRP A 30 6.046 -14.840 1.651 1.00 0.00 C ATOM 471 CH2 TRP A 30 5.597 -14.501 2.932 1.00 0.00 C ATOM 0 H TRP A 30 3.399 -14.920 -3.820 1.00 0.00 H new ATOM 0 HA TRP A 30 2.182 -15.799 -1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.987 -13.945 -2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.598 -12.882 -2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 30 1.022 -12.725 0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 30 1.771 -12.795 2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.617 -14.872 -0.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.028 -13.660 4.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.020 -15.292 1.532 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.230 -14.699 3.784 1.00 0.00 H new ATOM 482 N LEU A 31 0.301 -13.821 -3.330 1.00 0.00 N ATOM 483 CA LEU A 31 -1.053 -13.303 -3.514 1.00 0.00 C ATOM 484 C LEU A 31 -2.069 -14.429 -3.689 1.00 0.00 C ATOM 485 O LEU A 31 -3.175 -14.358 -3.158 1.00 0.00 O ATOM 486 CB LEU A 31 -1.106 -12.376 -4.730 1.00 0.00 C ATOM 487 CG LEU A 31 -2.430 -11.636 -4.933 1.00 0.00 C ATOM 488 CD1 LEU A 31 -2.721 -10.720 -3.752 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.405 -10.843 -6.232 1.00 0.00 C ATOM 0 H LEU A 31 0.948 -13.574 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.313 -12.745 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.308 -11.639 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.897 -12.964 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.229 -12.375 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.667 -10.203 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.785 -11.312 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.920 -9.988 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.355 -10.323 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.595 -10.115 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.248 -11.522 -7.070 1.00 0.00 H new ATOM 501 N THR A 32 -1.696 -15.466 -4.432 1.00 0.00 N ATOM 502 CA THR A 32 -2.615 -16.563 -4.705 1.00 0.00 C ATOM 503 C THR A 32 -2.869 -17.385 -3.437 1.00 0.00 C ATOM 504 O THR A 32 -3.908 -18.034 -3.305 1.00 0.00 O ATOM 505 CB THR A 32 -2.114 -17.476 -5.856 1.00 0.00 C ATOM 506 OG1 THR A 32 -3.212 -18.198 -6.433 1.00 0.00 O ATOM 507 CG2 THR A 32 -1.067 -18.473 -5.379 1.00 0.00 C ATOM 0 H THR A 32 -0.772 -15.569 -4.852 1.00 0.00 H new ATOM 0 HA THR A 32 -3.556 -16.119 -5.031 1.00 0.00 H new ATOM 0 HB THR A 32 -1.657 -16.825 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.883 -18.769 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.745 -19.091 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.210 -17.935 -4.974 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.496 -19.108 -4.604 1.00 0.00 H new ATOM 515 N GLN A 33 -1.917 -17.362 -2.508 1.00 0.00 N ATOM 516 CA GLN A 33 -2.087 -18.037 -1.232 1.00 0.00 C ATOM 517 C GLN A 33 -2.792 -17.134 -0.224 1.00 0.00 C ATOM 518 O GLN A 33 -3.683 -17.576 0.502 1.00 0.00 O ATOM 519 CB GLN A 33 -0.737 -18.475 -0.674 1.00 0.00 C ATOM 520 CG GLN A 33 -0.101 -19.616 -1.446 1.00 0.00 C ATOM 521 CD GLN A 33 1.152 -20.131 -0.773 1.00 0.00 C ATOM 522 OE1 GLN A 33 2.252 -19.671 -1.054 1.00 0.00 O ATOM 523 NE2 GLN A 33 0.992 -21.085 0.123 1.00 0.00 N ATOM 0 H GLN A 33 -1.023 -16.883 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.706 -18.918 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.058 -17.622 -0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.864 -18.777 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.819 -20.430 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.142 -19.280 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.058 -21.441 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.802 -21.467 0.611 1.00 0.00 H new ATOM 532 N ALA A 34 -2.393 -15.872 -0.190 1.00 0.00 N ATOM 533 CA ALA A 34 -2.938 -14.916 0.768 1.00 0.00 C ATOM 534 C ALA A 34 -4.413 -14.632 0.494 1.00 0.00 C ATOM 535 O ALA A 34 -4.819 -14.438 -0.655 1.00 0.00 O ATOM 536 CB ALA A 34 -2.140 -13.619 0.743 1.00 0.00 C ATOM 0 H ALA A 34 -1.690 -15.482 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.858 -15.361 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.561 -12.919 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.102 -13.826 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.185 -13.183 -0.255 1.00 0.00 H new ATOM 542 N PRO A 35 -5.238 -14.627 1.554 1.00 0.00 N ATOM 543 CA PRO A 35 -6.674 -14.340 1.450 1.00 0.00 C ATOM 544 C PRO A 35 -6.952 -12.922 0.953 1.00 0.00 C ATOM 545 O PRO A 35 -7.803 -12.716 0.086 1.00 0.00 O ATOM 546 CB PRO A 35 -7.183 -14.514 2.889 1.00 0.00 C ATOM 547 CG PRO A 35 -6.136 -15.324 3.575 1.00 0.00 C ATOM 548 CD PRO A 35 -4.840 -14.927 2.936 1.00 0.00 C ATOM 0 HA PRO A 35 -7.165 -14.994 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.319 -13.550 3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.148 -15.020 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.123 -15.123 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.323 -16.391 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.396 -14.061 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.104 -15.730 2.980 1.00 0.00 H new ATOM 556 N ASP A 36 -6.225 -11.950 1.498 1.00 0.00 N ATOM 557 CA ASP A 36 -6.397 -10.553 1.115 1.00 0.00 C ATOM 558 C ASP A 36 -5.168 -9.754 1.529 1.00 0.00 C ATOM 559 O ASP A 36 -4.252 -10.303 2.150 1.00 0.00 O ATOM 560 CB ASP A 36 -7.642 -9.962 1.778 1.00 0.00 C ATOM 561 CG ASP A 36 -8.388 -9.008 0.869 1.00 0.00 C ATOM 562 OD1 ASP A 36 -7.748 -8.116 0.280 1.00 0.00 O ATOM 563 OD2 ASP A 36 -9.621 -9.176 0.719 1.00 0.00 O ATOM 0 H ASP A 36 -5.510 -12.106 2.208 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.521 -10.501 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.309 -10.771 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.350 -9.438 2.688 1.00 0.00 H new ATOM 568 N GLY A 37 -5.141 -8.468 1.203 1.00 0.00 N ATOM 569 CA GLY A 37 -4.009 -7.646 1.576 1.00 0.00 C ATOM 570 C GLY A 37 -3.840 -6.412 0.710 1.00 0.00 C ATOM 571 O GLY A 37 -4.629 -6.160 -0.201 1.00 0.00 O ATOM 0 H GLY A 37 -5.878 -7.983 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.122 -7.337 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.101 -8.246 1.519 1.00 0.00 H new ATOM 575 N VAL A 38 -2.798 -5.639 1.005 1.00 0.00 N ATOM 576 CA VAL A 38 -2.508 -4.402 0.282 1.00 0.00 C ATOM 577 C VAL A 38 -1.006 -4.282 0.022 1.00 0.00 C ATOM 578 O VAL A 38 -0.198 -4.882 0.737 1.00 0.00 O ATOM 579 CB VAL A 38 -2.995 -3.152 1.058 1.00 0.00 C ATOM 580 CG1 VAL A 38 -4.516 -3.112 1.130 1.00 0.00 C ATOM 581 CG2 VAL A 38 -2.396 -3.119 2.456 1.00 0.00 C ATOM 0 H VAL A 38 -2.133 -5.850 1.749 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.047 -4.447 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.657 -2.269 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.831 -2.225 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.927 -3.079 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.880 -4.004 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.751 -2.233 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.698 -4.012 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.309 -3.088 2.385 1.00 0.00 H new ATOM 591 N VAL A 39 -0.637 -3.513 -0.997 1.00 0.00 N ATOM 592 CA VAL A 39 0.764 -3.371 -1.387 1.00 0.00 C ATOM 593 C VAL A 39 1.138 -1.895 -1.523 1.00 0.00 C ATOM 594 O VAL A 39 0.321 -1.078 -1.956 1.00 0.00 O ATOM 595 CB VAL A 39 1.046 -4.093 -2.729 1.00 0.00 C ATOM 596 CG1 VAL A 39 2.524 -4.011 -3.096 1.00 0.00 C ATOM 597 CG2 VAL A 39 0.594 -5.547 -2.666 1.00 0.00 C ATOM 0 H VAL A 39 -1.289 -2.977 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 39 1.369 -3.829 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 39 0.474 -3.586 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.693 -4.526 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.817 -2.966 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.120 -4.483 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.802 -6.034 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.133 -6.061 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.476 -5.587 -2.464 1.00 0.00 H new ATOM 607 N LEU A 40 2.364 -1.548 -1.137 1.00 0.00 N ATOM 608 CA LEU A 40 2.837 -0.171 -1.242 1.00 0.00 C ATOM 609 C LEU A 40 3.682 0.003 -2.498 1.00 0.00 C ATOM 610 O LEU A 40 4.424 -0.901 -2.883 1.00 0.00 O ATOM 611 CB LEU A 40 3.640 0.238 0.001 1.00 0.00 C ATOM 612 CG LEU A 40 2.814 0.479 1.272 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.296 -0.829 1.857 1.00 0.00 C ATOM 614 CD2 LEU A 40 3.634 1.239 2.303 1.00 0.00 C ATOM 0 H LEU A 40 3.046 -2.200 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 40 1.965 0.480 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.376 -0.539 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.194 1.148 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 40 1.950 1.084 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.716 -0.621 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.663 -1.330 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.138 -1.473 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.033 1.401 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.521 0.660 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.937 2.201 1.890 1.00 0.00 H new ATOM 626 N LEU A 41 3.568 1.161 -3.137 1.00 0.00 N ATOM 627 CA LEU A 41 4.238 1.406 -4.404 1.00 0.00 C ATOM 628 C LEU A 41 5.293 2.502 -4.274 1.00 0.00 C ATOM 629 O LEU A 41 4.966 3.689 -4.312 1.00 0.00 O ATOM 630 CB LEU A 41 3.201 1.793 -5.466 1.00 0.00 C ATOM 631 CG LEU A 41 3.749 2.075 -6.869 1.00 0.00 C ATOM 632 CD1 LEU A 41 4.400 0.831 -7.450 1.00 0.00 C ATOM 633 CD2 LEU A 41 2.639 2.576 -7.784 1.00 0.00 C ATOM 0 H LEU A 41 3.015 1.947 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 41 4.747 0.491 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.468 0.990 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.670 2.680 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 41 4.509 2.853 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.783 1.052 -8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.222 0.517 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.663 0.031 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.046 2.771 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.857 1.820 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.219 3.496 -7.377 1.00 0.00 H new ATOM 645 N SER A 42 6.543 2.086 -4.083 1.00 0.00 N ATOM 646 CA SER A 42 7.693 2.993 -4.085 1.00 0.00 C ATOM 647 C SER A 42 7.596 4.071 -2.993 1.00 0.00 C ATOM 648 O SER A 42 6.777 3.970 -2.077 1.00 0.00 O ATOM 649 CB SER A 42 7.845 3.618 -5.476 1.00 0.00 C ATOM 650 OG SER A 42 7.993 2.600 -6.459 1.00 0.00 O ATOM 0 H SER A 42 6.789 1.109 -3.922 1.00 0.00 H new ATOM 0 HA SER A 42 8.584 2.410 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.973 4.230 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.712 4.279 -5.493 1.00 0.00 H new ATOM 0 HG SER A 42 8.085 3.011 -7.344 1.00 0.00 H new ATOM 798 N SER A 52 8.824 10.292 4.170 1.00 0.00 N ATOM 799 CA SER A 52 8.516 9.350 5.236 1.00 0.00 C ATOM 800 C SER A 52 7.222 9.712 5.956 1.00 0.00 C ATOM 801 O SER A 52 6.441 8.825 6.311 1.00 0.00 O ATOM 802 CB SER A 52 9.676 9.282 6.236 1.00 0.00 C ATOM 803 OG SER A 52 9.416 8.333 7.257 1.00 0.00 O ATOM 0 HA SER A 52 8.377 8.370 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.595 9.016 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.835 10.264 6.681 1.00 0.00 H new ATOM 0 HG SER A 52 10.172 8.308 7.881 1.00 0.00 H new ATOM 809 N ASP A 53 7.009 11.009 6.163 1.00 0.00 N ATOM 810 CA ASP A 53 5.858 11.502 6.915 1.00 0.00 C ATOM 811 C ASP A 53 5.786 10.798 8.279 1.00 0.00 C ATOM 812 O ASP A 53 6.819 10.510 8.894 1.00 0.00 O ATOM 813 CB ASP A 53 4.570 11.275 6.112 1.00 0.00 C ATOM 814 CG ASP A 53 3.414 12.132 6.600 1.00 0.00 C ATOM 815 OD1 ASP A 53 3.301 13.289 6.158 1.00 0.00 O ATOM 816 OD2 ASP A 53 2.623 11.654 7.440 1.00 0.00 O ATOM 0 H ASP A 53 7.625 11.744 5.817 1.00 0.00 H new ATOM 0 HA ASP A 53 5.969 12.573 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.759 11.493 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.289 10.224 6.174 1.00 0.00 H new ATOM 821 N ASN A 54 4.578 10.537 8.754 1.00 0.00 N ATOM 822 CA ASN A 54 4.371 9.787 9.984 1.00 0.00 C ATOM 823 C ASN A 54 3.036 9.053 9.908 1.00 0.00 C ATOM 824 O ASN A 54 1.989 9.603 10.230 1.00 0.00 O ATOM 825 CB ASN A 54 4.461 10.686 11.238 1.00 0.00 C ATOM 826 CG ASN A 54 3.414 11.797 11.338 1.00 0.00 C ATOM 827 OD1 ASN A 54 2.999 12.366 10.216 1.00 0.00 O flip ATOM 828 ND2 ASN A 54 2.995 12.156 12.440 1.00 0.00 N flip ATOM 0 H ASN A 54 3.716 10.838 8.300 1.00 0.00 H new ATOM 0 HA ASN A 54 5.173 9.055 10.083 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.378 10.054 12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.451 11.142 11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.333 11.699 13.287 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.311 12.910 12.505 1.00 0.00 H new ATOM 835 N PRO A 55 3.068 7.795 9.435 1.00 0.00 N ATOM 836 CA PRO A 55 1.855 7.017 9.165 1.00 0.00 C ATOM 837 C PRO A 55 0.992 6.780 10.409 1.00 0.00 C ATOM 838 O PRO A 55 0.166 7.618 10.759 1.00 0.00 O ATOM 839 CB PRO A 55 2.385 5.686 8.609 1.00 0.00 C ATOM 840 CG PRO A 55 3.807 5.616 9.056 1.00 0.00 C ATOM 841 CD PRO A 55 4.290 7.037 9.119 1.00 0.00 C ATOM 0 HA PRO A 55 1.195 7.548 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.810 4.842 8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.312 5.656 7.522 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.887 5.133 10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.407 5.030 8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.055 7.169 9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.728 7.356 8.173 1.00 0.00 H new ATOM 849 N VAL A 56 1.170 5.619 11.050 1.00 0.00 N ATOM 850 CA VAL A 56 0.401 5.239 12.244 1.00 0.00 C ATOM 851 C VAL A 56 -1.032 4.871 11.867 1.00 0.00 C ATOM 852 O VAL A 56 -1.522 3.788 12.192 1.00 0.00 O ATOM 853 CB VAL A 56 0.394 6.352 13.320 1.00 0.00 C ATOM 854 CG1 VAL A 56 -0.484 5.966 14.501 1.00 0.00 C ATOM 855 CG2 VAL A 56 1.814 6.652 13.784 1.00 0.00 C ATOM 0 H VAL A 56 1.849 4.917 10.758 1.00 0.00 H new ATOM 0 HA VAL A 56 0.897 4.369 12.674 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.024 7.254 12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.470 6.766 15.241 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.506 5.807 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.105 5.048 14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.792 7.437 14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.256 5.751 14.209 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.412 6.984 12.935 1.00 0.00 H new ATOM 865 N MET A 57 -1.664 5.777 11.136 1.00 0.00 N ATOM 866 CA MET A 57 -3.056 5.653 10.720 1.00 0.00 C ATOM 867 C MET A 57 -3.294 4.403 9.881 1.00 0.00 C ATOM 868 O MET A 57 -4.410 3.900 9.827 1.00 0.00 O ATOM 869 CB MET A 57 -3.488 6.904 9.947 1.00 0.00 C ATOM 870 CG MET A 57 -2.605 7.228 8.749 1.00 0.00 C ATOM 871 SD MET A 57 -3.059 8.779 7.949 1.00 0.00 S ATOM 872 CE MET A 57 -1.822 8.870 6.658 1.00 0.00 C ATOM 0 H MET A 57 -1.218 6.634 10.809 1.00 0.00 H new ATOM 0 HA MET A 57 -3.661 5.558 11.622 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.514 6.770 9.604 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.488 7.756 10.626 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.566 7.282 9.073 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.671 6.417 8.024 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.971 9.778 6.075 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.829 8.886 7.106 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.912 8.001 6.006 1.00 0.00 H new ATOM 882 N ILE A 58 -2.248 3.904 9.235 1.00 0.00 N ATOM 883 CA ILE A 58 -2.363 2.702 8.410 1.00 0.00 C ATOM 884 C ILE A 58 -2.846 1.514 9.245 1.00 0.00 C ATOM 885 O ILE A 58 -3.752 0.782 8.840 1.00 0.00 O ATOM 886 CB ILE A 58 -1.012 2.347 7.745 1.00 0.00 C ATOM 887 CG1 ILE A 58 -0.532 3.500 6.863 1.00 0.00 C ATOM 888 CG2 ILE A 58 -1.120 1.061 6.929 1.00 0.00 C ATOM 889 CD1 ILE A 58 -1.497 3.870 5.753 1.00 0.00 C ATOM 0 H ILE A 58 -1.312 4.309 9.264 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.094 2.913 7.629 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.280 2.183 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.361 4.376 7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.428 3.231 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.155 0.837 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.413 0.239 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.869 1.188 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.085 4.695 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.650 3.009 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.451 4.172 6.186 1.00 0.00 H new ATOM 901 N GLY A 59 -2.259 1.352 10.428 1.00 0.00 N ATOM 902 CA GLY A 59 -2.626 0.246 11.297 1.00 0.00 C ATOM 903 C GLY A 59 -4.022 0.416 11.855 1.00 0.00 C ATOM 904 O GLY A 59 -4.792 -0.542 11.939 1.00 0.00 O ATOM 0 H GLY A 59 -1.536 1.967 10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.567 -0.690 10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.912 0.174 12.117 1.00 0.00 H new ATOM 908 N GLU A 60 -4.348 1.650 12.219 1.00 0.00 N ATOM 909 CA GLU A 60 -5.665 1.988 12.731 1.00 0.00 C ATOM 910 C GLU A 60 -6.732 1.740 11.668 1.00 0.00 C ATOM 911 O GLU A 60 -7.826 1.254 11.967 1.00 0.00 O ATOM 912 CB GLU A 60 -5.692 3.457 13.156 1.00 0.00 C ATOM 913 CG GLU A 60 -4.653 3.813 14.204 1.00 0.00 C ATOM 914 CD GLU A 60 -4.793 2.979 15.457 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.870 3.025 16.087 1.00 0.00 O ATOM 916 OE2 GLU A 60 -3.834 2.264 15.812 1.00 0.00 O ATOM 0 H GLU A 60 -3.707 2.441 12.167 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.877 1.356 13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.536 4.082 12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.682 3.695 13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.656 3.673 13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.746 4.868 14.460 1.00 0.00 H new ATOM 923 N LEU A 61 -6.387 2.070 10.430 1.00 0.00 N ATOM 924 CA LEU A 61 -7.303 1.977 9.300 1.00 0.00 C ATOM 925 C LEU A 61 -7.797 0.550 9.090 1.00 0.00 C ATOM 926 O LEU A 61 -8.997 0.291 9.117 1.00 0.00 O ATOM 927 CB LEU A 61 -6.599 2.475 8.035 1.00 0.00 C ATOM 928 CG LEU A 61 -7.482 2.608 6.798 1.00 0.00 C ATOM 929 CD1 LEU A 61 -8.573 3.643 7.034 1.00 0.00 C ATOM 930 CD2 LEU A 61 -6.636 2.979 5.589 1.00 0.00 C ATOM 0 H LEU A 61 -5.459 2.412 10.180 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.172 2.599 9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.153 3.447 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.781 1.793 7.804 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.961 1.649 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.194 3.726 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.190 3.336 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.117 4.609 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.276 3.071 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.134 3.929 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.891 2.203 5.414 1.00 0.00 H new ATOM 942 N LEU A 62 -6.860 -0.374 8.904 1.00 0.00 N ATOM 943 CA LEU A 62 -7.198 -1.766 8.595 1.00 0.00 C ATOM 944 C LEU A 62 -8.014 -2.422 9.710 1.00 0.00 C ATOM 945 O LEU A 62 -8.811 -3.324 9.459 1.00 0.00 O ATOM 946 CB LEU A 62 -5.926 -2.585 8.329 1.00 0.00 C ATOM 947 CG LEU A 62 -5.371 -2.508 6.901 1.00 0.00 C ATOM 948 CD1 LEU A 62 -5.029 -1.076 6.512 1.00 0.00 C ATOM 949 CD2 LEU A 62 -4.149 -3.401 6.762 1.00 0.00 C ATOM 0 H LEU A 62 -5.859 -0.188 8.961 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.814 -1.752 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.151 -2.252 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.133 -3.629 8.563 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.147 -2.860 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.639 -1.059 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.926 -0.460 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.277 -0.683 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.765 -3.337 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.379 -3.075 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.425 -4.432 6.981 1.00 0.00 H new ATOM 961 N ARG A 63 -7.828 -1.956 10.938 1.00 0.00 N ATOM 962 CA ARG A 63 -8.441 -2.604 12.095 1.00 0.00 C ATOM 963 C ARG A 63 -9.937 -2.323 12.232 1.00 0.00 C ATOM 964 O ARG A 63 -10.586 -2.905 13.098 1.00 0.00 O ATOM 965 CB ARG A 63 -7.718 -2.229 13.388 1.00 0.00 C ATOM 966 CG ARG A 63 -6.366 -2.905 13.527 1.00 0.00 C ATOM 967 CD ARG A 63 -5.814 -2.785 14.938 1.00 0.00 C ATOM 968 NE ARG A 63 -6.700 -3.392 15.934 1.00 0.00 N ATOM 969 CZ ARG A 63 -6.439 -4.536 16.572 1.00 0.00 C ATOM 970 NH1 ARG A 63 -5.376 -5.265 16.240 1.00 0.00 N ATOM 971 NH2 ARG A 63 -7.264 -4.976 17.517 1.00 0.00 N ATOM 0 H ARG A 63 -7.262 -1.137 11.160 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.335 -3.674 11.919 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.583 -1.148 13.422 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.343 -2.499 14.239 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.458 -3.958 13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.663 -2.459 12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.836 -3.264 14.985 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.666 -1.733 15.180 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.572 -2.910 16.154 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.755 -4.951 15.494 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.182 -6.138 16.731 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.098 -4.440 17.756 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.063 -5.850 18.003 1.00 0.00 H new ATOM 985 N GLU A 64 -10.498 -1.438 11.411 1.00 0.00 N ATOM 986 CA GLU A 64 -11.941 -1.214 11.464 1.00 0.00 C ATOM 987 C GLU A 64 -12.679 -2.362 10.781 1.00 0.00 C ATOM 988 O GLU A 64 -13.890 -2.520 10.934 1.00 0.00 O ATOM 989 CB GLU A 64 -12.346 0.136 10.859 1.00 0.00 C ATOM 990 CG GLU A 64 -12.126 0.268 9.360 1.00 0.00 C ATOM 991 CD GLU A 64 -12.662 1.584 8.835 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.270 2.639 9.378 1.00 0.00 O ATOM 993 OE2 GLU A 64 -13.505 1.571 7.911 1.00 0.00 O ATOM 0 H GLU A 64 -9.995 -0.880 10.721 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.228 -1.184 12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.401 0.309 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.786 0.924 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.061 0.193 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.617 -0.558 8.845 1.00 0.00 H new ATOM 1000 N PHE A 65 -11.935 -3.176 10.040 1.00 0.00 N ATOM 1001 CA PHE A 65 -12.478 -4.394 9.465 1.00 0.00 C ATOM 1002 C PHE A 65 -11.538 -5.565 9.761 1.00 0.00 C ATOM 1003 O PHE A 65 -10.848 -6.065 8.874 1.00 0.00 O ATOM 1004 CB PHE A 65 -12.693 -4.233 7.953 1.00 0.00 C ATOM 1005 CG PHE A 65 -13.444 -5.370 7.316 1.00 0.00 C ATOM 1006 CD1 PHE A 65 -14.796 -5.549 7.560 1.00 0.00 C ATOM 1007 CD2 PHE A 65 -12.798 -6.256 6.465 1.00 0.00 C ATOM 1008 CE1 PHE A 65 -15.488 -6.589 6.971 1.00 0.00 C ATOM 1009 CE2 PHE A 65 -13.486 -7.298 5.874 1.00 0.00 C ATOM 1010 CZ PHE A 65 -14.832 -7.465 6.127 1.00 0.00 C ATOM 0 H PHE A 65 -10.952 -3.011 9.825 1.00 0.00 H new ATOM 0 HA PHE A 65 -13.448 -4.598 9.917 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.236 -3.306 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.722 -4.135 7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -15.315 -4.868 8.218 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.745 -6.129 6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -16.542 -6.718 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.971 -7.981 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 65 -15.372 -8.279 5.666 1.00 0.00 H new ATOM 1020 N PRO A 66 -11.481 -6.000 11.030 1.00 0.00 N ATOM 1021 CA PRO A 66 -10.562 -7.036 11.478 1.00 0.00 C ATOM 1022 C PRO A 66 -11.181 -8.429 11.446 1.00 0.00 C ATOM 1023 O PRO A 66 -10.623 -9.382 11.995 1.00 0.00 O ATOM 1024 CB PRO A 66 -10.284 -6.608 12.914 1.00 0.00 C ATOM 1025 CG PRO A 66 -11.567 -6.001 13.381 1.00 0.00 C ATOM 1026 CD PRO A 66 -12.297 -5.502 12.152 1.00 0.00 C ATOM 0 HA PRO A 66 -9.679 -7.118 10.844 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.999 -7.459 13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.465 -5.890 12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.169 -6.736 13.915 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.376 -5.182 14.074 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.315 -5.888 12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.368 -4.414 12.143 1.00 0.00 H new ATOM 1034 N ASP A 67 -12.330 -8.546 10.795 1.00 0.00 N ATOM 1035 CA ASP A 67 -13.034 -9.820 10.702 1.00 0.00 C ATOM 1036 C ASP A 67 -12.337 -10.729 9.696 1.00 0.00 C ATOM 1037 O ASP A 67 -12.564 -11.941 9.652 1.00 0.00 O ATOM 1038 CB ASP A 67 -14.493 -9.592 10.292 1.00 0.00 C ATOM 1039 CG ASP A 67 -15.368 -10.803 10.552 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -15.840 -10.960 11.698 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -15.602 -11.591 9.612 1.00 0.00 O ATOM 0 H ASP A 67 -12.797 -7.772 10.322 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.020 -10.302 11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.891 -8.737 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.534 -9.340 9.232 1.00 0.00 H new ATOM 1046 N TYR A 68 -11.460 -10.131 8.906 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.732 -10.846 7.882 1.00 0.00 C ATOM 1048 C TYR A 68 -9.234 -10.684 8.125 1.00 0.00 C ATOM 1049 O TYR A 68 -8.821 -10.069 9.111 1.00 0.00 O ATOM 1050 CB TYR A 68 -11.128 -10.306 6.500 1.00 0.00 C ATOM 1051 CG TYR A 68 -10.935 -11.288 5.363 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -11.736 -12.416 5.256 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -9.959 -11.084 4.396 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -11.572 -13.314 4.220 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -9.791 -11.977 3.354 1.00 0.00 C ATOM 1056 CZ TYR A 68 -10.600 -13.089 3.272 1.00 0.00 C ATOM 1057 OH TYR A 68 -10.441 -13.979 2.234 1.00 0.00 O ATOM 0 H TYR A 68 -11.236 -9.137 8.960 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.977 -11.907 7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -12.175 -10.004 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.543 -9.410 6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.502 -12.595 5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.322 -10.214 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.203 -14.188 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.029 -11.804 2.608 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.714 -13.676 1.651 1.00 0.00 H new ATOM 1067 N THR A 69 -8.432 -11.232 7.238 1.00 0.00 N ATOM 1068 CA THR A 69 -6.988 -11.172 7.364 1.00 0.00 C ATOM 1069 C THR A 69 -6.394 -10.247 6.310 1.00 0.00 C ATOM 1070 O THR A 69 -6.610 -10.446 5.113 1.00 0.00 O ATOM 1071 CB THR A 69 -6.379 -12.577 7.219 1.00 0.00 C ATOM 1072 OG1 THR A 69 -6.915 -13.211 6.051 1.00 0.00 O ATOM 1073 CG2 THR A 69 -6.670 -13.431 8.443 1.00 0.00 C ATOM 0 H THR A 69 -8.759 -11.731 6.411 1.00 0.00 H new ATOM 0 HA THR A 69 -6.751 -10.779 8.353 1.00 0.00 H new ATOM 0 HB THR A 69 -5.298 -12.475 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.935 -12.569 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.227 -14.418 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.244 -12.957 9.327 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.748 -13.531 8.569 1.00 0.00 H new ATOM 1081 N TRP A 70 -5.658 -9.240 6.756 1.00 0.00 N ATOM 1082 CA TRP A 70 -5.042 -8.279 5.853 1.00 0.00 C ATOM 1083 C TRP A 70 -3.536 -8.488 5.803 1.00 0.00 C ATOM 1084 O TRP A 70 -2.824 -8.164 6.758 1.00 0.00 O ATOM 1085 CB TRP A 70 -5.341 -6.844 6.297 1.00 0.00 C ATOM 1086 CG TRP A 70 -6.786 -6.471 6.212 1.00 0.00 C ATOM 1087 CD1 TRP A 70 -7.706 -6.521 7.218 1.00 0.00 C ATOM 1088 CD2 TRP A 70 -7.475 -5.983 5.058 1.00 0.00 C ATOM 1089 NE1 TRP A 70 -8.927 -6.088 6.761 1.00 0.00 N ATOM 1090 CE2 TRP A 70 -8.812 -5.754 5.434 1.00 0.00 C ATOM 1091 CE3 TRP A 70 -7.086 -5.716 3.743 1.00 0.00 C ATOM 1092 CZ2 TRP A 70 -9.763 -5.271 4.535 1.00 0.00 C ATOM 1093 CZ3 TRP A 70 -8.027 -5.240 2.854 1.00 0.00 C ATOM 1094 CH2 TRP A 70 -9.353 -5.019 3.252 1.00 0.00 C ATOM 0 H TRP A 70 -5.472 -9.067 7.744 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.463 -8.437 4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -5.003 -6.714 7.325 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.762 -6.156 5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.504 -6.852 8.226 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.780 -6.025 7.317 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -6.066 -5.880 3.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.785 -5.102 4.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.737 -5.034 1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.066 -4.643 2.533 1.00 0.00 H new ATOM 1105 N GLN A 71 -3.051 -9.039 4.702 1.00 0.00 N ATOM 1106 CA GLN A 71 -1.624 -9.259 4.537 1.00 0.00 C ATOM 1107 C GLN A 71 -0.977 -8.045 3.877 1.00 0.00 C ATOM 1108 O GLN A 71 -1.219 -7.756 2.706 1.00 0.00 O ATOM 1109 CB GLN A 71 -1.341 -10.530 3.727 1.00 0.00 C ATOM 1110 CG GLN A 71 -1.257 -11.804 4.568 1.00 0.00 C ATOM 1111 CD GLN A 71 -2.607 -12.394 4.949 1.00 0.00 C ATOM 1112 OE1 GLN A 71 -3.607 -11.694 5.079 1.00 0.00 O ATOM 1113 NE2 GLN A 71 -2.641 -13.702 5.147 1.00 0.00 N ATOM 0 H GLN A 71 -3.622 -9.341 3.913 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.188 -9.397 5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.125 -10.653 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.403 -10.402 3.187 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.689 -12.553 4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.698 -11.588 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.793 -14.258 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.515 -14.155 5.415 1.00 0.00 H new ATOM 1122 N VAL A 72 -0.168 -7.330 4.644 1.00 0.00 N ATOM 1123 CA VAL A 72 0.493 -6.131 4.148 1.00 0.00 C ATOM 1124 C VAL A 72 1.816 -6.500 3.493 1.00 0.00 C ATOM 1125 O VAL A 72 2.714 -7.045 4.144 1.00 0.00 O ATOM 1126 CB VAL A 72 0.746 -5.113 5.284 1.00 0.00 C ATOM 1127 CG1 VAL A 72 1.340 -3.828 4.735 1.00 0.00 C ATOM 1128 CG2 VAL A 72 -0.542 -4.825 6.041 1.00 0.00 C ATOM 0 H VAL A 72 0.047 -7.559 5.614 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.166 -5.667 3.414 1.00 0.00 H new ATOM 0 HB VAL A 72 1.464 -5.550 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.509 -3.127 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.287 -4.047 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.650 -3.387 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.344 -4.107 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.282 -4.412 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.924 -5.749 6.474 1.00 0.00 H new ATOM 1138 N ALA A 73 1.928 -6.218 2.205 1.00 0.00 N ATOM 1139 CA ALA A 73 3.106 -6.590 1.450 1.00 0.00 C ATOM 1140 C ALA A 73 3.850 -5.364 0.940 1.00 0.00 C ATOM 1141 O ALA A 73 3.265 -4.473 0.321 1.00 0.00 O ATOM 1142 CB ALA A 73 2.715 -7.492 0.293 1.00 0.00 C ATOM 0 H ALA A 73 1.214 -5.732 1.663 1.00 0.00 H new ATOM 0 HA ALA A 73 3.779 -7.131 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.606 -7.768 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.237 -8.392 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.021 -6.964 -0.361 1.00 0.00 H new ATOM 1148 N ILE A 74 5.139 -5.317 1.222 1.00 0.00 N ATOM 1149 CA ILE A 74 5.999 -4.265 0.708 1.00 0.00 C ATOM 1150 C ILE A 74 7.099 -4.880 -0.146 1.00 0.00 C ATOM 1151 O ILE A 74 7.652 -5.923 0.206 1.00 0.00 O ATOM 1152 CB ILE A 74 6.619 -3.428 1.848 1.00 0.00 C ATOM 1153 CG1 ILE A 74 7.262 -4.341 2.902 1.00 0.00 C ATOM 1154 CG2 ILE A 74 5.561 -2.533 2.478 1.00 0.00 C ATOM 1155 CD1 ILE A 74 7.821 -3.600 4.096 1.00 0.00 C ATOM 0 H ILE A 74 5.617 -6.001 1.809 1.00 0.00 H new ATOM 0 HA ILE A 74 5.391 -3.595 0.101 1.00 0.00 H new ATOM 0 HB ILE A 74 7.401 -2.795 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.519 -5.059 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.063 -4.912 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.010 -1.948 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.156 -1.861 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.758 -3.149 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.258 -4.313 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.589 -2.901 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.020 -3.051 4.591 1.00 0.00 H new ATOM 1167 N ALA A 75 7.419 -4.246 -1.263 1.00 0.00 N ATOM 1168 CA ALA A 75 8.357 -4.833 -2.216 1.00 0.00 C ATOM 1169 C ALA A 75 9.721 -4.153 -2.178 1.00 0.00 C ATOM 1170 O ALA A 75 9.902 -3.133 -1.513 1.00 0.00 O ATOM 1171 CB ALA A 75 7.772 -4.770 -3.619 1.00 0.00 C ATOM 0 H ALA A 75 7.049 -3.335 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 75 8.512 -5.873 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.475 -5.209 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.834 -5.325 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.587 -3.731 -3.890 1.00 0.00 H new ATOM 1177 N ASP A 76 10.683 -4.746 -2.885 1.00 0.00 N ATOM 1178 CA ASP A 76 12.024 -4.176 -3.025 1.00 0.00 C ATOM 1179 C ASP A 76 11.973 -2.847 -3.772 1.00 0.00 C ATOM 1180 O ASP A 76 10.938 -2.477 -4.326 1.00 0.00 O ATOM 1181 CB ASP A 76 12.937 -5.132 -3.798 1.00 0.00 C ATOM 1182 CG ASP A 76 13.034 -6.514 -3.183 1.00 0.00 C ATOM 1183 OD1 ASP A 76 12.098 -7.318 -3.370 1.00 0.00 O ATOM 1184 OD2 ASP A 76 14.070 -6.814 -2.551 1.00 0.00 O ATOM 0 H ASP A 76 10.556 -5.631 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 76 12.418 -4.017 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.570 -5.224 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.936 -4.699 -3.856 1.00 0.00 H new ATOM 1189 N LEU A 77 13.105 -2.151 -3.814 1.00 0.00 N ATOM 1190 CA LEU A 77 13.199 -0.865 -4.500 1.00 0.00 C ATOM 1191 C LEU A 77 12.808 -1.011 -5.971 1.00 0.00 C ATOM 1192 O LEU A 77 11.915 -0.317 -6.461 1.00 0.00 O ATOM 1193 CB LEU A 77 14.632 -0.319 -4.368 1.00 0.00 C ATOM 1194 CG LEU A 77 14.830 1.167 -4.704 1.00 0.00 C ATOM 1195 CD1 LEU A 77 16.134 1.671 -4.106 1.00 0.00 C ATOM 1196 CD2 LEU A 77 14.837 1.398 -6.209 1.00 0.00 C ATOM 0 H LEU A 77 13.975 -2.458 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 77 12.506 -0.161 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.968 -0.486 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.282 -0.906 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 77 13.994 1.719 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 77 16.263 2.725 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.108 1.551 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.967 1.099 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.979 2.459 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.650 0.829 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.887 1.071 -6.632 1.00 0.00 H new ATOM 1208 N GLU A 78 13.462 -1.932 -6.664 1.00 0.00 N ATOM 1209 CA GLU A 78 13.181 -2.172 -8.070 1.00 0.00 C ATOM 1210 C GLU A 78 11.869 -2.924 -8.252 1.00 0.00 C ATOM 1211 O GLU A 78 11.140 -2.702 -9.220 1.00 0.00 O ATOM 1212 CB GLU A 78 14.321 -2.962 -8.701 1.00 0.00 C ATOM 1213 CG GLU A 78 15.594 -2.153 -8.863 1.00 0.00 C ATOM 1214 CD GLU A 78 15.446 -1.038 -9.878 1.00 0.00 C ATOM 1215 OE1 GLU A 78 14.727 -1.233 -10.882 1.00 0.00 O ATOM 1216 OE2 GLU A 78 16.064 0.031 -9.694 1.00 0.00 O ATOM 0 H GLU A 78 14.193 -2.526 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 78 13.090 -1.205 -8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.531 -3.837 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.004 -3.327 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.876 -1.728 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.405 -2.814 -9.170 1.00 0.00 H new ATOM 1223 N GLN A 79 11.569 -3.802 -7.304 1.00 0.00 N ATOM 1224 CA GLN A 79 10.408 -4.671 -7.406 1.00 0.00 C ATOM 1225 C GLN A 79 9.103 -3.900 -7.268 1.00 0.00 C ATOM 1226 O GLN A 79 8.150 -4.180 -7.985 1.00 0.00 O ATOM 1227 CB GLN A 79 10.485 -5.793 -6.365 1.00 0.00 C ATOM 1228 CG GLN A 79 11.264 -7.016 -6.839 1.00 0.00 C ATOM 1229 CD GLN A 79 12.667 -6.692 -7.310 1.00 0.00 C ATOM 1230 OE1 GLN A 79 13.631 -6.794 -6.413 1.00 0.00 O flip ATOM 1231 NE2 GLN A 79 12.882 -6.374 -8.476 1.00 0.00 N flip ATOM 0 H GLN A 79 12.117 -3.930 -6.453 1.00 0.00 H new ATOM 0 HA GLN A 79 10.418 -5.112 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.951 -5.405 -5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.473 -6.099 -6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.320 -7.739 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.717 -7.493 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.108 -6.307 -9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.834 -6.177 -8.784 1.00 0.00 H new ATOM 1240 N SER A 80 9.065 -2.924 -6.366 1.00 0.00 N ATOM 1241 CA SER A 80 7.868 -2.112 -6.173 1.00 0.00 C ATOM 1242 C SER A 80 7.435 -1.479 -7.490 1.00 0.00 C ATOM 1243 O SER A 80 6.293 -1.640 -7.926 1.00 0.00 O ATOM 1244 CB SER A 80 8.121 -1.021 -5.130 1.00 0.00 C ATOM 1245 OG SER A 80 8.438 -1.580 -3.867 1.00 0.00 O ATOM 0 H SER A 80 9.846 -2.677 -5.759 1.00 0.00 H new ATOM 0 HA SER A 80 7.070 -2.762 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.938 -0.380 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.237 -0.390 -5.039 1.00 0.00 H new ATOM 0 HG SER A 80 9.289 -2.062 -3.927 1.00 0.00 H new ATOM 1251 N GLU A 81 8.372 -0.798 -8.130 1.00 0.00 N ATOM 1252 CA GLU A 81 8.116 -0.115 -9.387 1.00 0.00 C ATOM 1253 C GLU A 81 7.660 -1.113 -10.451 1.00 0.00 C ATOM 1254 O GLU A 81 6.694 -0.867 -11.172 1.00 0.00 O ATOM 1255 CB GLU A 81 9.387 0.597 -9.851 1.00 0.00 C ATOM 1256 CG GLU A 81 9.135 1.761 -10.794 1.00 0.00 C ATOM 1257 CD GLU A 81 8.482 2.940 -10.097 1.00 0.00 C ATOM 1258 OE1 GLU A 81 8.835 3.215 -8.929 1.00 0.00 O ATOM 1259 OE2 GLU A 81 7.640 3.613 -10.721 1.00 0.00 O ATOM 0 H GLU A 81 9.330 -0.703 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 81 7.324 0.619 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.927 0.961 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.035 -0.125 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.080 2.080 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.498 1.429 -11.614 1.00 0.00 H new ATOM 1266 N ALA A 82 8.349 -2.251 -10.518 1.00 0.00 N ATOM 1267 CA ALA A 82 8.068 -3.269 -11.525 1.00 0.00 C ATOM 1268 C ALA A 82 6.681 -3.876 -11.348 1.00 0.00 C ATOM 1269 O ALA A 82 5.973 -4.100 -12.329 1.00 0.00 O ATOM 1270 CB ALA A 82 9.125 -4.364 -11.484 1.00 0.00 C ATOM 0 H ALA A 82 9.110 -2.491 -9.882 1.00 0.00 H new ATOM 0 HA ALA A 82 8.095 -2.779 -12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.900 -5.115 -12.241 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.105 -3.931 -11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.127 -4.831 -10.499 1.00 0.00 H new ATOM 1276 N ILE A 83 6.293 -4.137 -10.102 1.00 0.00 N ATOM 1277 CA ILE A 83 4.997 -4.751 -9.820 1.00 0.00 C ATOM 1278 C ILE A 83 3.853 -3.845 -10.272 1.00 0.00 C ATOM 1279 O ILE A 83 2.927 -4.294 -10.952 1.00 0.00 O ATOM 1280 CB ILE A 83 4.844 -5.093 -8.320 1.00 0.00 C ATOM 1281 CG1 ILE A 83 5.864 -6.167 -7.924 1.00 0.00 C ATOM 1282 CG2 ILE A 83 3.426 -5.566 -8.010 1.00 0.00 C ATOM 1283 CD1 ILE A 83 5.851 -6.506 -6.451 1.00 0.00 C ATOM 0 H ILE A 83 6.854 -3.934 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 83 4.951 -5.682 -10.386 1.00 0.00 H new ATOM 0 HB ILE A 83 5.032 -4.191 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.666 -7.072 -8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.862 -5.827 -8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.344 -5.800 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.716 -4.779 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.203 -6.457 -8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.599 -7.273 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.080 -5.613 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.865 -6.878 -6.172 1.00 0.00 H new ATOM 1295 N GLY A 84 3.932 -2.568 -9.914 1.00 0.00 N ATOM 1296 CA GLY A 84 2.915 -1.620 -10.334 1.00 0.00 C ATOM 1297 C GLY A 84 2.915 -1.435 -11.836 1.00 0.00 C ATOM 1298 O GLY A 84 1.860 -1.455 -12.478 1.00 0.00 O ATOM 0 H GLY A 84 4.679 -2.173 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.935 -1.969 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.088 -0.660 -9.848 1.00 0.00 H new ATOM 1302 N ASP A 85 4.111 -1.282 -12.392 1.00 0.00 N ATOM 1303 CA ASP A 85 4.299 -1.110 -13.830 1.00 0.00 C ATOM 1304 C ASP A 85 3.697 -2.271 -14.608 1.00 0.00 C ATOM 1305 O ASP A 85 3.025 -2.075 -15.620 1.00 0.00 O ATOM 1306 CB ASP A 85 5.791 -1.011 -14.143 1.00 0.00 C ATOM 1307 CG ASP A 85 6.074 -0.795 -15.615 1.00 0.00 C ATOM 1308 OD1 ASP A 85 5.799 0.314 -16.119 1.00 0.00 O ATOM 1309 OD2 ASP A 85 6.581 -1.731 -16.266 1.00 0.00 O ATOM 0 H ASP A 85 4.980 -1.274 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 85 3.791 -0.194 -14.131 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.223 -0.189 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.287 -1.924 -13.813 1.00 0.00 H new ATOM 1314 N ARG A 86 3.943 -3.477 -14.115 1.00 0.00 N ATOM 1315 CA ARG A 86 3.466 -4.695 -14.753 1.00 0.00 C ATOM 1316 C ARG A 86 1.942 -4.796 -14.674 1.00 0.00 C ATOM 1317 O ARG A 86 1.306 -5.428 -15.519 1.00 0.00 O ATOM 1318 CB ARG A 86 4.112 -5.911 -14.089 1.00 0.00 C ATOM 1319 CG ARG A 86 3.790 -7.239 -14.758 1.00 0.00 C ATOM 1320 CD ARG A 86 4.523 -8.382 -14.083 1.00 0.00 C ATOM 1321 NE ARG A 86 4.200 -9.676 -14.677 1.00 0.00 N ATOM 1322 CZ ARG A 86 5.043 -10.709 -14.715 1.00 0.00 C ATOM 1323 NH1 ARG A 86 6.293 -10.564 -14.293 1.00 0.00 N ATOM 1324 NH2 ARG A 86 4.642 -11.880 -15.196 1.00 0.00 N ATOM 0 H ARG A 86 4.479 -3.638 -13.262 1.00 0.00 H new ATOM 0 HA ARG A 86 3.746 -4.667 -15.806 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.193 -5.774 -14.083 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.790 -5.955 -13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.716 -7.418 -14.719 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.068 -7.196 -15.811 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.597 -8.212 -14.151 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.269 -8.398 -13.023 1.00 0.00 H new ATOM 0 HE ARG A 86 3.274 -9.797 -15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.610 -9.662 -13.939 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.936 -11.355 -14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.687 -11.991 -15.538 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.289 -12.668 -15.224 1.00 0.00 H new ATOM 1338 N PHE A 87 1.366 -4.179 -13.654 1.00 0.00 N ATOM 1339 CA PHE A 87 -0.081 -4.168 -13.492 1.00 0.00 C ATOM 1340 C PHE A 87 -0.702 -3.144 -14.435 1.00 0.00 C ATOM 1341 O PHE A 87 -1.758 -3.382 -15.025 1.00 0.00 O ATOM 1342 CB PHE A 87 -0.455 -3.854 -12.039 1.00 0.00 C ATOM 1343 CG PHE A 87 -1.928 -3.957 -11.748 1.00 0.00 C ATOM 1344 CD1 PHE A 87 -2.518 -5.188 -11.509 1.00 0.00 C ATOM 1345 CD2 PHE A 87 -2.722 -2.821 -11.716 1.00 0.00 C ATOM 1346 CE1 PHE A 87 -3.871 -5.285 -11.244 1.00 0.00 C ATOM 1347 CE2 PHE A 87 -4.076 -2.911 -11.452 1.00 0.00 C ATOM 1348 CZ PHE A 87 -4.651 -4.145 -11.216 1.00 0.00 C ATOM 0 H PHE A 87 1.877 -3.680 -12.926 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.470 -5.156 -13.740 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.083 -4.536 -11.381 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.117 -2.846 -11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.913 -6.082 -11.530 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.277 -1.854 -11.900 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.318 -6.251 -11.059 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.683 -2.018 -11.430 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.709 -4.218 -11.010 1.00 0.00 H new ATOM 1358 N GLY A 88 -0.033 -2.009 -14.580 1.00 0.00 N ATOM 1359 CA GLY A 88 -0.517 -0.966 -15.461 1.00 0.00 C ATOM 1360 C GLY A 88 -0.268 0.416 -14.895 1.00 0.00 C ATOM 1361 O GLY A 88 -0.155 1.388 -15.641 1.00 0.00 O ATOM 0 H GLY A 88 0.841 -1.791 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.027 -1.054 -16.431 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.585 -1.101 -15.630 1.00 0.00 H new ATOM 1365 N VAL A 89 -0.176 0.499 -13.574 1.00 0.00 N ATOM 1366 CA VAL A 89 0.051 1.769 -12.897 1.00 0.00 C ATOM 1367 C VAL A 89 1.544 2.063 -12.820 1.00 0.00 C ATOM 1368 O VAL A 89 2.253 1.524 -11.972 1.00 0.00 O ATOM 1369 CB VAL A 89 -0.548 1.774 -11.472 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -0.396 3.147 -10.823 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -2.014 1.356 -11.505 1.00 0.00 C ATOM 0 H VAL A 89 -0.256 -0.302 -12.948 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.449 2.543 -13.479 1.00 0.00 H new ATOM 0 HB VAL A 89 0.003 1.051 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.825 3.125 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.661 3.404 -10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.916 3.893 -11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.418 1.366 -10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.577 2.052 -12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.097 0.351 -11.919 1.00 0.00 H new ATOM 1381 N PHE A 90 2.015 2.904 -13.722 1.00 0.00 N ATOM 1382 CA PHE A 90 3.431 3.229 -13.798 1.00 0.00 C ATOM 1383 C PHE A 90 3.739 4.487 -12.995 1.00 0.00 C ATOM 1384 O PHE A 90 3.027 5.490 -13.109 1.00 0.00 O ATOM 1385 CB PHE A 90 3.854 3.408 -15.264 1.00 0.00 C ATOM 1386 CG PHE A 90 3.173 4.555 -15.966 1.00 0.00 C ATOM 1387 CD1 PHE A 90 1.875 4.426 -16.438 1.00 0.00 C ATOM 1388 CD2 PHE A 90 3.831 5.762 -16.145 1.00 0.00 C ATOM 1389 CE1 PHE A 90 1.249 5.481 -17.073 1.00 0.00 C ATOM 1390 CE2 PHE A 90 3.209 6.819 -16.781 1.00 0.00 C ATOM 1391 CZ PHE A 90 1.917 6.678 -17.245 1.00 0.00 C ATOM 0 H PHE A 90 1.436 3.377 -14.416 1.00 0.00 H new ATOM 0 HA PHE A 90 4.000 2.405 -13.368 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.933 3.561 -15.304 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.642 2.487 -15.807 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.349 3.492 -16.308 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.842 5.877 -15.783 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.238 5.370 -17.435 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.733 7.754 -16.915 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.428 7.503 -17.742 1.00 0.00 H new ATOM 1401 N ARG A 91 4.781 4.409 -12.167 1.00 0.00 N ATOM 1402 CA ARG A 91 5.296 5.558 -11.426 1.00 0.00 C ATOM 1403 C ARG A 91 4.301 6.054 -10.371 1.00 0.00 C ATOM 1404 O ARG A 91 3.211 5.500 -10.217 1.00 0.00 O ATOM 1405 CB ARG A 91 5.646 6.695 -12.396 1.00 0.00 C ATOM 1406 CG ARG A 91 7.044 7.254 -12.205 1.00 0.00 C ATOM 1407 CD ARG A 91 8.102 6.184 -12.420 1.00 0.00 C ATOM 1408 NE ARG A 91 9.458 6.710 -12.255 1.00 0.00 N ATOM 1409 CZ ARG A 91 10.251 6.410 -11.226 1.00 0.00 C ATOM 1410 NH1 ARG A 91 9.823 5.595 -10.275 1.00 0.00 N ATOM 1411 NH2 ARG A 91 11.481 6.906 -11.160 1.00 0.00 N ATOM 0 H ARG A 91 5.292 3.544 -11.992 1.00 0.00 H new ATOM 0 HA ARG A 91 6.195 5.235 -10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.547 6.331 -13.419 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.922 7.501 -12.273 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.208 8.075 -12.903 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.139 7.665 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.941 5.369 -11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.995 5.765 -13.421 1.00 0.00 H new ATOM 0 HE ARG A 91 9.817 7.343 -12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.886 5.196 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.430 5.366 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.824 7.520 -11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.083 6.673 -10.370 1.00 0.00 H new ATOM 1425 N PHE A 92 4.710 7.100 -9.649 1.00 0.00 N ATOM 1426 CA PHE A 92 3.877 7.761 -8.637 1.00 0.00 C ATOM 1427 C PHE A 92 3.668 6.878 -7.406 1.00 0.00 C ATOM 1428 O PHE A 92 2.894 5.923 -7.431 1.00 0.00 O ATOM 1429 CB PHE A 92 2.525 8.202 -9.219 1.00 0.00 C ATOM 1430 CG PHE A 92 2.656 9.214 -10.322 1.00 0.00 C ATOM 1431 CD1 PHE A 92 2.965 10.532 -10.035 1.00 0.00 C ATOM 1432 CD2 PHE A 92 2.474 8.844 -11.644 1.00 0.00 C ATOM 1433 CE1 PHE A 92 3.090 11.464 -11.046 1.00 0.00 C ATOM 1434 CE2 PHE A 92 2.597 9.771 -12.660 1.00 0.00 C ATOM 1435 CZ PHE A 92 2.906 11.083 -12.360 1.00 0.00 C ATOM 0 H PHE A 92 5.636 7.517 -9.750 1.00 0.00 H new ATOM 0 HA PHE A 92 4.418 8.653 -8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.998 7.327 -9.599 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.913 8.622 -8.421 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.110 10.835 -9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.233 7.819 -11.883 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.331 12.490 -10.809 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.452 9.471 -13.687 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.004 11.810 -13.152 1.00 0.00 H new ATOM 1445 N PRO A 93 4.363 7.207 -6.304 1.00 0.00 N ATOM 1446 CA PRO A 93 4.251 6.460 -5.046 1.00 0.00 C ATOM 1447 C PRO A 93 2.870 6.591 -4.409 1.00 0.00 C ATOM 1448 O PRO A 93 2.304 7.686 -4.331 1.00 0.00 O ATOM 1449 CB PRO A 93 5.309 7.099 -4.148 1.00 0.00 C ATOM 1450 CG PRO A 93 5.522 8.461 -4.712 1.00 0.00 C ATOM 1451 CD PRO A 93 5.304 8.336 -6.193 1.00 0.00 C ATOM 0 HA PRO A 93 4.394 5.391 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.970 7.149 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 93 6.233 6.521 -4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.827 9.177 -4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.528 8.820 -4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.887 9.250 -6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.236 8.136 -6.721 1.00 0.00 H new ATOM 1459 N ALA A 94 2.348 5.465 -3.949 1.00 0.00 N ATOM 1460 CA ALA A 94 1.031 5.411 -3.331 1.00 0.00 C ATOM 1461 C ALA A 94 0.792 4.035 -2.725 1.00 0.00 C ATOM 1462 O ALA A 94 1.695 3.199 -2.688 1.00 0.00 O ATOM 1463 CB ALA A 94 -0.052 5.735 -4.353 1.00 0.00 C ATOM 0 H ALA A 94 2.824 4.564 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 94 0.989 6.156 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.030 5.690 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.111 6.737 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.013 5.011 -5.166 1.00 0.00 H new ATOM 1469 N THR A 95 -0.417 3.802 -2.242 1.00 0.00 N ATOM 1470 CA THR A 95 -0.779 2.506 -1.698 1.00 0.00 C ATOM 1471 C THR A 95 -1.860 1.859 -2.557 1.00 0.00 C ATOM 1472 O THR A 95 -2.883 2.475 -2.847 1.00 0.00 O ATOM 1473 CB THR A 95 -1.281 2.635 -0.247 1.00 0.00 C ATOM 1474 OG1 THR A 95 -0.354 3.414 0.519 1.00 0.00 O ATOM 1475 CG2 THR A 95 -1.451 1.266 0.398 1.00 0.00 C ATOM 0 H THR A 95 -1.165 4.495 -2.216 1.00 0.00 H new ATOM 0 HA THR A 95 0.113 1.879 -1.702 1.00 0.00 H new ATOM 0 HB THR A 95 -2.252 3.130 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.678 3.495 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.806 1.388 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.176 0.683 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.493 0.746 0.406 1.00 0.00 H new ATOM 1483 N LEU A 96 -1.626 0.625 -2.974 1.00 0.00 N ATOM 1484 CA LEU A 96 -2.588 -0.098 -3.788 1.00 0.00 C ATOM 1485 C LEU A 96 -3.451 -0.979 -2.902 1.00 0.00 C ATOM 1486 O LEU A 96 -2.957 -1.916 -2.270 1.00 0.00 O ATOM 1487 CB LEU A 96 -1.871 -0.942 -4.844 1.00 0.00 C ATOM 1488 CG LEU A 96 -1.039 -0.147 -5.854 1.00 0.00 C ATOM 1489 CD1 LEU A 96 -0.355 -1.079 -6.841 1.00 0.00 C ATOM 1490 CD2 LEU A 96 -1.910 0.864 -6.590 1.00 0.00 C ATOM 0 H LEU A 96 -0.776 0.103 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.226 0.621 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.218 -1.652 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.615 -1.525 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.269 0.396 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.231 -0.493 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.303 -1.760 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.108 -1.653 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.300 1.419 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.705 0.341 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.349 1.557 -5.872 1.00 0.00 H new ATOM 1502 N VAL A 97 -4.735 -0.669 -2.847 1.00 0.00 N ATOM 1503 CA VAL A 97 -5.650 -1.394 -1.984 1.00 0.00 C ATOM 1504 C VAL A 97 -6.442 -2.432 -2.772 1.00 0.00 C ATOM 1505 O VAL A 97 -7.000 -2.142 -3.838 1.00 0.00 O ATOM 1506 CB VAL A 97 -6.609 -0.432 -1.238 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -7.421 0.407 -2.213 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -7.527 -1.201 -0.306 1.00 0.00 C ATOM 0 H VAL A 97 -5.167 0.079 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.049 -1.914 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.998 0.245 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.083 1.071 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.747 1.000 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.015 -0.248 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.191 -0.505 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.120 -1.910 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.930 -1.741 0.429 1.00 0.00 H new ATOM 1518 N PHE A 98 -6.462 -3.648 -2.254 1.00 0.00 N ATOM 1519 CA PHE A 98 -7.177 -4.743 -2.882 1.00 0.00 C ATOM 1520 C PHE A 98 -8.180 -5.333 -1.902 1.00 0.00 C ATOM 1521 O PHE A 98 -8.135 -5.040 -0.707 1.00 0.00 O ATOM 1522 CB PHE A 98 -6.201 -5.839 -3.333 1.00 0.00 C ATOM 1523 CG PHE A 98 -5.165 -5.381 -4.324 1.00 0.00 C ATOM 1524 CD1 PHE A 98 -5.416 -5.440 -5.686 1.00 0.00 C ATOM 1525 CD2 PHE A 98 -3.939 -4.896 -3.895 1.00 0.00 C ATOM 1526 CE1 PHE A 98 -4.464 -5.025 -6.599 1.00 0.00 C ATOM 1527 CE2 PHE A 98 -2.985 -4.479 -4.805 1.00 0.00 C ATOM 1528 CZ PHE A 98 -3.249 -4.543 -6.158 1.00 0.00 C ATOM 0 H PHE A 98 -5.985 -3.902 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.701 -4.356 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.694 -6.240 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.771 -6.657 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -6.366 -5.814 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.727 -4.843 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.672 -5.078 -7.658 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.034 -4.104 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.506 -4.216 -6.870 1.00 0.00 H new ATOM 1538 N THR A 99 -9.106 -6.121 -2.424 1.00 0.00 N ATOM 1539 CA THR A 99 -9.996 -6.921 -1.599 1.00 0.00 C ATOM 1540 C THR A 99 -10.468 -8.113 -2.407 1.00 0.00 C ATOM 1541 O THR A 99 -10.807 -7.984 -3.587 1.00 0.00 O ATOM 1542 CB THR A 99 -11.229 -6.147 -1.112 1.00 0.00 C ATOM 1543 OG1 THR A 99 -10.880 -4.788 -0.826 1.00 0.00 O ATOM 1544 CG2 THR A 99 -11.814 -6.787 0.138 1.00 0.00 C ATOM 0 H THR A 99 -9.261 -6.224 -3.427 1.00 0.00 H new ATOM 0 HA THR A 99 -9.431 -7.223 -0.717 1.00 0.00 H new ATOM 0 HB THR A 99 -11.976 -6.174 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.672 -4.219 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.686 -6.220 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.110 -7.813 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 99 -11.066 -6.788 0.931 1.00 0.00 H new ATOM 1552 N GLY A 100 -10.470 -9.261 -1.772 1.00 0.00 N ATOM 1553 CA GLY A 100 -10.772 -10.507 -2.452 1.00 0.00 C ATOM 1554 C GLY A 100 -9.779 -10.809 -3.563 1.00 0.00 C ATOM 1555 O GLY A 100 -10.023 -11.668 -4.408 1.00 0.00 O ATOM 0 H GLY A 100 -10.265 -9.362 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.767 -11.324 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.778 -10.457 -2.869 1.00 0.00 H new ATOM 1559 N GLY A 101 -8.652 -10.101 -3.554 1.00 0.00 N ATOM 1560 CA GLY A 101 -7.668 -10.244 -4.611 1.00 0.00 C ATOM 1561 C GLY A 101 -7.936 -9.307 -5.777 1.00 0.00 C ATOM 1562 O GLY A 101 -7.141 -9.224 -6.714 1.00 0.00 O ATOM 0 H GLY A 101 -8.403 -9.428 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.674 -10.046 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.668 -11.274 -4.968 1.00 0.00 H new ATOM 1566 N ASN A 102 -9.059 -8.601 -5.718 1.00 0.00 N ATOM 1567 CA ASN A 102 -9.447 -7.677 -6.777 1.00 0.00 C ATOM 1568 C ASN A 102 -8.997 -6.262 -6.454 1.00 0.00 C ATOM 1569 O ASN A 102 -8.934 -5.867 -5.287 1.00 0.00 O ATOM 1570 CB ASN A 102 -10.963 -7.699 -6.990 1.00 0.00 C ATOM 1571 CG ASN A 102 -11.487 -9.050 -7.438 1.00 0.00 C ATOM 1572 OD1 ASN A 102 -10.658 -9.812 -8.135 1.00 0.00 O flip ATOM 1573 ND2 ASN A 102 -12.630 -9.410 -7.155 1.00 0.00 N flip ATOM 0 H ASN A 102 -9.720 -8.652 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 102 -8.956 -8.002 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.457 -7.415 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.229 -6.949 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.240 -8.795 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.967 -10.323 -7.459 1.00 0.00 H new ATOM 1580 N TYR A 103 -8.702 -5.500 -7.496 1.00 0.00 N ATOM 1581 CA TYR A 103 -8.230 -4.133 -7.349 1.00 0.00 C ATOM 1582 C TYR A 103 -9.384 -3.220 -6.951 1.00 0.00 C ATOM 1583 O TYR A 103 -10.434 -3.216 -7.593 1.00 0.00 O ATOM 1584 CB TYR A 103 -7.603 -3.670 -8.669 1.00 0.00 C ATOM 1585 CG TYR A 103 -6.958 -2.302 -8.622 1.00 0.00 C ATOM 1586 CD1 TYR A 103 -5.765 -2.094 -7.941 1.00 0.00 C ATOM 1587 CD2 TYR A 103 -7.533 -1.224 -9.277 1.00 0.00 C ATOM 1588 CE1 TYR A 103 -5.166 -0.850 -7.915 1.00 0.00 C ATOM 1589 CE2 TYR A 103 -6.943 0.024 -9.255 1.00 0.00 C ATOM 1590 CZ TYR A 103 -5.759 0.204 -8.573 1.00 0.00 C ATOM 1591 OH TYR A 103 -5.166 1.447 -8.553 1.00 0.00 O ATOM 0 H TYR A 103 -8.783 -5.811 -8.464 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.476 -4.089 -6.563 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.852 -4.399 -8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -8.374 -3.666 -9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.298 -2.919 -7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -8.459 -1.363 -9.814 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -4.238 -0.705 -7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.406 0.853 -9.769 1.00 0.00 H new ATOM 0 HH TYR A 103 -5.712 2.078 -9.066 1.00 0.00 H new ATOM 1601 N ARG A 104 -9.199 -2.473 -5.872 1.00 0.00 N ATOM 1602 CA ARG A 104 -10.231 -1.557 -5.402 1.00 0.00 C ATOM 1603 C ARG A 104 -9.935 -0.136 -5.855 1.00 0.00 C ATOM 1604 O ARG A 104 -10.820 0.568 -6.340 1.00 0.00 O ATOM 1605 CB ARG A 104 -10.346 -1.612 -3.878 1.00 0.00 C ATOM 1606 CG ARG A 104 -10.726 -2.983 -3.330 1.00 0.00 C ATOM 1607 CD ARG A 104 -12.164 -3.365 -3.662 1.00 0.00 C ATOM 1608 NE ARG A 104 -12.377 -3.571 -5.095 1.00 0.00 N ATOM 1609 CZ ARG A 104 -13.556 -3.873 -5.639 1.00 0.00 C ATOM 1610 NH1 ARG A 104 -14.633 -4.016 -4.874 1.00 0.00 N ATOM 1611 NH2 ARG A 104 -13.659 -4.021 -6.956 1.00 0.00 N ATOM 0 H ARG A 104 -8.349 -2.482 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.182 -1.868 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.394 -1.310 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.090 -0.884 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.050 -3.734 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.592 -2.988 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.427 -4.276 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.835 -2.582 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.573 -3.478 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.561 -3.895 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.532 -4.247 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.837 -3.904 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.560 -4.252 -7.374 1.00 0.00 H new ATOM 1625 N GLY A 105 -8.684 0.274 -5.706 1.00 0.00 N ATOM 1626 CA GLY A 105 -8.286 1.607 -6.101 1.00 0.00 C ATOM 1627 C GLY A 105 -6.903 1.947 -5.601 1.00 0.00 C ATOM 1628 O GLY A 105 -6.156 1.062 -5.175 1.00 0.00 O ATOM 0 H GLY A 105 -7.934 -0.297 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.310 1.687 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.002 2.331 -5.712 1.00 0.00 H new ATOM 1632 N VAL A 106 -6.564 3.223 -5.638 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.260 3.672 -5.190 1.00 0.00 C ATOM 1634 C VAL A 106 -5.408 4.708 -4.079 1.00 0.00 C ATOM 1635 O VAL A 106 -6.229 5.623 -4.167 1.00 0.00 O ATOM 1636 CB VAL A 106 -4.436 4.254 -6.365 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -5.154 5.427 -7.019 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -3.048 4.665 -5.902 1.00 0.00 C ATOM 0 H VAL A 106 -7.175 3.967 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.722 2.809 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 106 -4.329 3.469 -7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.549 5.812 -7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.118 5.095 -7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.310 6.215 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.489 5.071 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.134 5.424 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.525 3.795 -5.504 1.00 0.00 H new ATOM 1648 N LEU A 107 -4.628 4.543 -3.024 1.00 0.00 N ATOM 1649 CA LEU A 107 -4.676 5.448 -1.890 1.00 0.00 C ATOM 1650 C LEU A 107 -3.533 6.450 -1.957 1.00 0.00 C ATOM 1651 O LEU A 107 -2.366 6.090 -1.791 1.00 0.00 O ATOM 1652 CB LEU A 107 -4.604 4.665 -0.576 1.00 0.00 C ATOM 1653 CG LEU A 107 -5.770 3.709 -0.317 1.00 0.00 C ATOM 1654 CD1 LEU A 107 -5.530 2.916 0.960 1.00 0.00 C ATOM 1655 CD2 LEU A 107 -7.082 4.473 -0.233 1.00 0.00 C ATOM 0 H LEU A 107 -3.951 3.786 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 107 -5.621 5.989 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.677 4.092 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.549 5.376 0.248 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.836 3.011 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.368 2.240 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.611 2.338 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.439 3.602 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.898 3.775 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.031 5.195 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.258 4.997 -1.172 1.00 0.00 H new ATOM 1667 N ASN A 108 -3.871 7.702 -2.225 1.00 0.00 N ATOM 1668 CA ASN A 108 -2.888 8.773 -2.218 1.00 0.00 C ATOM 1669 C ASN A 108 -3.422 9.951 -1.416 1.00 0.00 C ATOM 1670 O ASN A 108 -3.986 10.899 -1.966 1.00 0.00 O ATOM 1671 CB ASN A 108 -2.532 9.215 -3.644 1.00 0.00 C ATOM 1672 CG ASN A 108 -1.329 10.146 -3.673 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -1.461 11.358 -3.519 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -0.148 9.584 -3.883 1.00 0.00 N ATOM 0 H ASN A 108 -4.820 8.001 -2.450 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.976 8.400 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.324 8.336 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.389 9.718 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.692 10.161 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.079 8.574 -4.006 1.00 0.00 H new ATOM 1681 N GLY A 109 -3.291 9.852 -0.105 1.00 0.00 N ATOM 1682 CA GLY A 109 -3.752 10.904 0.775 1.00 0.00 C ATOM 1683 C GLY A 109 -2.988 10.905 2.075 1.00 0.00 C ATOM 1684 O GLY A 109 -3.553 10.651 3.138 1.00 0.00 O ATOM 0 H GLY A 109 -2.869 9.054 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.637 11.870 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.815 10.773 0.976 1.00 0.00 H new ATOM 1688 N ILE A 110 -1.697 11.177 1.987 1.00 0.00 N ATOM 1689 CA ILE A 110 -0.823 11.123 3.151 1.00 0.00 C ATOM 1690 C ILE A 110 -0.946 12.393 3.990 1.00 0.00 C ATOM 1691 O ILE A 110 -0.171 13.333 3.817 1.00 0.00 O ATOM 1692 CB ILE A 110 0.657 10.917 2.739 1.00 0.00 C ATOM 1693 CG1 ILE A 110 0.815 9.629 1.922 1.00 0.00 C ATOM 1694 CG2 ILE A 110 1.563 10.873 3.967 1.00 0.00 C ATOM 1695 CD1 ILE A 110 0.627 8.371 2.740 1.00 0.00 C ATOM 0 H ILE A 110 -1.228 11.438 1.120 1.00 0.00 H new ATOM 0 HA ILE A 110 -1.141 10.269 3.749 1.00 0.00 H new ATOM 0 HB ILE A 110 0.954 11.764 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.092 9.634 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.806 9.614 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.596 10.728 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.479 11.812 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.261 10.048 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.752 7.498 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.367 8.343 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.374 8.364 3.171 1.00 0.00 H new ATOM 1707 N HIS A 111 -1.961 12.431 4.856 1.00 0.00 N ATOM 1708 CA HIS A 111 -2.105 13.509 5.838 1.00 0.00 C ATOM 1709 C HIS A 111 -3.405 13.373 6.644 1.00 0.00 C ATOM 1710 O HIS A 111 -3.354 13.255 7.869 1.00 0.00 O ATOM 1711 CB HIS A 111 -2.053 14.898 5.179 1.00 0.00 C ATOM 1712 CG HIS A 111 -1.577 15.971 6.109 1.00 0.00 C ATOM 1713 ND1 HIS A 111 -2.424 16.816 6.791 1.00 0.00 N ATOM 1714 CD2 HIS A 111 -0.324 16.326 6.475 1.00 0.00 C ATOM 1715 CE1 HIS A 111 -1.715 17.642 7.534 1.00 0.00 C ATOM 1716 NE2 HIS A 111 -0.438 17.367 7.362 1.00 0.00 N ATOM 0 H HIS A 111 -2.697 11.726 4.897 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.258 13.416 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.394 14.858 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.046 15.157 4.812 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.595 15.874 6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.114 18.414 8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.339 17.849 7.814 1.00 0.00 H new ATOM 1725 N PRO A 112 -4.588 13.397 5.989 1.00 0.00 N ATOM 1726 CA PRO A 112 -5.872 13.380 6.687 1.00 0.00 C ATOM 1727 C PRO A 112 -6.319 11.976 7.080 1.00 0.00 C ATOM 1728 O PRO A 112 -6.446 11.090 6.234 1.00 0.00 O ATOM 1729 CB PRO A 112 -6.853 13.982 5.665 1.00 0.00 C ATOM 1730 CG PRO A 112 -6.059 14.247 4.422 1.00 0.00 C ATOM 1731 CD PRO A 112 -4.794 13.445 4.539 1.00 0.00 C ATOM 0 HA PRO A 112 -5.817 13.930 7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -7.674 13.294 5.462 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.296 14.902 6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.621 13.956 3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.836 15.309 4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.903 12.449 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.960 13.923 4.025 1.00 0.00 H new ATOM 1739 N TRP A 113 -6.587 11.796 8.364 1.00 0.00 N ATOM 1740 CA TRP A 113 -7.012 10.507 8.891 1.00 0.00 C ATOM 1741 C TRP A 113 -8.481 10.251 8.563 1.00 0.00 C ATOM 1742 O TRP A 113 -8.834 9.190 8.045 1.00 0.00 O ATOM 1743 CB TRP A 113 -6.765 10.465 10.405 1.00 0.00 C ATOM 1744 CG TRP A 113 -7.411 9.309 11.117 1.00 0.00 C ATOM 1745 CD1 TRP A 113 -8.134 9.375 12.273 1.00 0.00 C ATOM 1746 CD2 TRP A 113 -7.398 7.927 10.733 1.00 0.00 C ATOM 1747 NE1 TRP A 113 -8.568 8.124 12.634 1.00 0.00 N ATOM 1748 CE2 TRP A 113 -8.133 7.218 11.702 1.00 0.00 C ATOM 1749 CE3 TRP A 113 -6.841 7.220 9.664 1.00 0.00 C ATOM 1750 CZ2 TRP A 113 -8.323 5.840 11.633 1.00 0.00 C ATOM 1751 CZ3 TRP A 113 -7.033 5.855 9.597 1.00 0.00 C ATOM 1752 CH2 TRP A 113 -7.768 5.178 10.574 1.00 0.00 C ATOM 0 H TRP A 113 -6.517 12.533 9.066 1.00 0.00 H new ATOM 0 HA TRP A 113 -6.428 9.716 8.421 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.690 10.428 10.583 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -7.129 11.394 10.844 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -8.336 10.282 12.824 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -9.124 7.904 13.461 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.270 7.733 8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.888 5.314 12.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -6.607 5.300 8.774 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.900 4.109 10.490 1.00 0.00 H new ATOM 1763 N ALA A 114 -9.330 11.232 8.845 1.00 0.00 N ATOM 1764 CA ALA A 114 -10.760 11.109 8.583 1.00 0.00 C ATOM 1765 C ALA A 114 -11.024 10.825 7.107 1.00 0.00 C ATOM 1766 O ALA A 114 -11.885 10.009 6.762 1.00 0.00 O ATOM 1767 CB ALA A 114 -11.487 12.372 9.021 1.00 0.00 C ATOM 0 H ALA A 114 -9.053 12.123 9.256 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.141 10.267 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.553 12.267 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.333 12.529 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -11.096 13.227 8.469 1.00 0.00 H new ATOM 1773 N GLU A 115 -10.259 11.481 6.241 1.00 0.00 N ATOM 1774 CA GLU A 115 -10.422 11.327 4.802 1.00 0.00 C ATOM 1775 C GLU A 115 -9.872 9.981 4.337 1.00 0.00 C ATOM 1776 O GLU A 115 -10.422 9.362 3.425 1.00 0.00 O ATOM 1777 CB GLU A 115 -9.730 12.478 4.064 1.00 0.00 C ATOM 1778 CG GLU A 115 -9.930 12.448 2.560 1.00 0.00 C ATOM 1779 CD GLU A 115 -9.457 13.720 1.893 1.00 0.00 C ATOM 1780 OE1 GLU A 115 -8.251 13.827 1.587 1.00 0.00 O ATOM 1781 OE2 GLU A 115 -10.296 14.621 1.674 1.00 0.00 O ATOM 0 H GLU A 115 -9.518 12.127 6.513 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.487 11.356 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.106 13.425 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.662 12.446 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.391 11.598 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.986 12.296 2.339 1.00 0.00 H new ATOM 1788 N LEU A 116 -8.801 9.523 4.981 1.00 0.00 N ATOM 1789 CA LEU A 116 -8.229 8.215 4.679 1.00 0.00 C ATOM 1790 C LEU A 116 -9.266 7.127 4.929 1.00 0.00 C ATOM 1791 O LEU A 116 -9.425 6.206 4.125 1.00 0.00 O ATOM 1792 CB LEU A 116 -6.984 7.957 5.535 1.00 0.00 C ATOM 1793 CG LEU A 116 -6.232 6.664 5.209 1.00 0.00 C ATOM 1794 CD1 LEU A 116 -5.687 6.704 3.788 1.00 0.00 C ATOM 1795 CD2 LEU A 116 -5.108 6.435 6.209 1.00 0.00 C ATOM 0 H LEU A 116 -8.313 10.038 5.714 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.935 8.199 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.300 8.797 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.281 7.933 6.583 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.932 5.831 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.156 5.776 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.512 6.819 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.002 7.546 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.584 5.512 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.409 7.271 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.525 6.359 7.213 1.00 0.00 H new ATOM 1807 N ILE A 117 -9.979 7.254 6.046 1.00 0.00 N ATOM 1808 CA ILE A 117 -11.063 6.337 6.373 1.00 0.00 C ATOM 1809 C ILE A 117 -12.110 6.346 5.270 1.00 0.00 C ATOM 1810 O ILE A 117 -12.533 5.296 4.795 1.00 0.00 O ATOM 1811 CB ILE A 117 -11.749 6.709 7.704 1.00 0.00 C ATOM 1812 CG1 ILE A 117 -10.740 6.719 8.853 1.00 0.00 C ATOM 1813 CG2 ILE A 117 -12.891 5.745 8.002 1.00 0.00 C ATOM 1814 CD1 ILE A 117 -11.336 7.167 10.172 1.00 0.00 C ATOM 0 H ILE A 117 -9.823 7.985 6.740 1.00 0.00 H new ATOM 0 HA ILE A 117 -10.623 5.345 6.472 1.00 0.00 H new ATOM 0 HB ILE A 117 -12.160 7.714 7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -10.325 5.718 8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -9.912 7.379 8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -13.364 6.022 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -13.626 5.793 7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -12.500 4.730 8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -10.566 7.151 10.943 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -11.726 8.180 10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -12.145 6.493 10.453 1.00 0.00 H new ATOM 1826 N ASN A 118 -12.506 7.547 4.859 1.00 0.00 N ATOM 1827 CA ASN A 118 -13.529 7.721 3.831 1.00 0.00 C ATOM 1828 C ASN A 118 -13.162 6.938 2.578 1.00 0.00 C ATOM 1829 O ASN A 118 -13.968 6.178 2.045 1.00 0.00 O ATOM 1830 CB ASN A 118 -13.672 9.203 3.484 1.00 0.00 C ATOM 1831 CG ASN A 118 -15.011 9.544 2.864 1.00 0.00 C ATOM 1832 OD1 ASN A 118 -15.683 8.696 2.277 1.00 0.00 O ATOM 1833 ND2 ASN A 118 -15.385 10.804 2.964 1.00 0.00 N ATOM 0 H ASN A 118 -12.130 8.422 5.226 1.00 0.00 H new ATOM 0 HA ASN A 118 -14.476 7.346 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -13.536 9.796 4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -12.877 9.486 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -16.263 11.110 2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.796 11.473 3.460 1.00 0.00 H new ATOM 1840 N LEU A 119 -11.929 7.122 2.133 1.00 0.00 N ATOM 1841 CA LEU A 119 -11.434 6.456 0.938 1.00 0.00 C ATOM 1842 C LEU A 119 -11.354 4.945 1.124 1.00 0.00 C ATOM 1843 O LEU A 119 -11.916 4.192 0.330 1.00 0.00 O ATOM 1844 CB LEU A 119 -10.060 7.006 0.556 1.00 0.00 C ATOM 1845 CG LEU A 119 -10.025 8.498 0.226 1.00 0.00 C ATOM 1846 CD1 LEU A 119 -8.607 8.936 -0.094 1.00 0.00 C ATOM 1847 CD2 LEU A 119 -10.956 8.814 -0.935 1.00 0.00 C ATOM 0 H LEU A 119 -11.248 7.732 2.585 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.142 6.657 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.369 6.816 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.691 6.451 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.370 9.051 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.599 10.001 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.965 8.748 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.238 8.374 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.916 9.881 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.644 8.251 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.976 8.536 -0.669 1.00 0.00 H new ATOM 1859 N MET A 120 -10.667 4.506 2.175 1.00 0.00 N ATOM 1860 CA MET A 120 -10.495 3.076 2.436 1.00 0.00 C ATOM 1861 C MET A 120 -11.848 2.387 2.544 1.00 0.00 C ATOM 1862 O MET A 120 -12.112 1.392 1.866 1.00 0.00 O ATOM 1863 CB MET A 120 -9.709 2.867 3.730 1.00 0.00 C ATOM 1864 CG MET A 120 -9.465 1.407 4.061 1.00 0.00 C ATOM 1865 SD MET A 120 -8.424 0.588 2.839 1.00 0.00 S ATOM 1866 CE MET A 120 -8.396 -1.074 3.501 1.00 0.00 C ATOM 0 H MET A 120 -10.221 5.116 2.859 1.00 0.00 H new ATOM 0 HA MET A 120 -9.941 2.640 1.604 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.750 3.378 3.650 1.00 0.00 H new ATOM 0 HB3 MET A 120 -10.250 3.332 4.554 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.995 1.334 5.042 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.421 0.888 4.126 1.00 0.00 H new ATOM 0 HE1 MET A 120 -8.043 -1.765 2.735 1.00 0.00 H new ATOM 0 HE2 MET A 120 -7.727 -1.112 4.361 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.401 -1.359 3.811 1.00 0.00 H new ATOM 1876 N ARG A 121 -12.704 2.956 3.377 1.00 0.00 N ATOM 1877 CA ARG A 121 -14.027 2.416 3.633 1.00 0.00 C ATOM 1878 C ARG A 121 -14.880 2.466 2.369 1.00 0.00 C ATOM 1879 O ARG A 121 -15.749 1.626 2.163 1.00 0.00 O ATOM 1880 CB ARG A 121 -14.683 3.204 4.763 1.00 0.00 C ATOM 1881 CG ARG A 121 -15.877 2.527 5.399 1.00 0.00 C ATOM 1882 CD ARG A 121 -16.265 3.239 6.680 1.00 0.00 C ATOM 1883 NE ARG A 121 -17.342 2.562 7.392 1.00 0.00 N ATOM 1884 CZ ARG A 121 -17.172 1.924 8.547 1.00 0.00 C ATOM 1885 NH1 ARG A 121 -15.954 1.689 9.018 1.00 0.00 N ATOM 1886 NH2 ARG A 121 -18.216 1.452 9.201 1.00 0.00 N ATOM 0 H ARG A 121 -12.499 3.809 3.896 1.00 0.00 H new ATOM 0 HA ARG A 121 -13.939 1.372 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.937 3.394 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -14.996 4.174 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -16.717 2.529 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -15.642 1.484 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -15.393 3.311 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -16.573 4.258 6.446 1.00 0.00 H new ATOM 0 HE ARG A 121 -18.276 2.578 6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -15.136 1.998 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -15.836 1.199 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -19.154 1.576 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -18.085 0.963 10.086 1.00 0.00 H new ATOM 1900 N GLY A 122 -14.642 3.467 1.535 1.00 0.00 N ATOM 1901 CA GLY A 122 -15.365 3.568 0.283 1.00 0.00 C ATOM 1902 C GLY A 122 -14.908 2.544 -0.741 1.00 0.00 C ATOM 1903 O GLY A 122 -15.696 2.095 -1.569 1.00 0.00 O ATOM 0 H GLY A 122 -13.963 4.210 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -16.430 3.437 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -15.235 4.569 -0.127 1.00 0.00 H new ATOM 1907 N LEU A 123 -13.635 2.174 -0.683 1.00 0.00 N ATOM 1908 CA LEU A 123 -13.061 1.266 -1.663 1.00 0.00 C ATOM 1909 C LEU A 123 -13.299 -0.198 -1.293 1.00 0.00 C ATOM 1910 O LEU A 123 -13.791 -0.972 -2.113 1.00 0.00 O ATOM 1911 CB LEU A 123 -11.565 1.539 -1.828 1.00 0.00 C ATOM 1912 CG LEU A 123 -11.223 2.896 -2.450 1.00 0.00 C ATOM 1913 CD1 LEU A 123 -9.719 3.092 -2.516 1.00 0.00 C ATOM 1914 CD2 LEU A 123 -11.833 3.012 -3.839 1.00 0.00 C ATOM 0 H LEU A 123 -12.981 2.490 0.034 1.00 0.00 H new ATOM 0 HA LEU A 123 -13.564 1.448 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.088 1.473 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.133 0.753 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.644 3.678 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.498 4.062 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.302 3.051 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -9.276 2.304 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.581 3.982 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.439 2.220 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -12.917 2.917 -3.770 1.00 0.00 H new ATOM 1926 N VAL A 124 -12.953 -0.585 -0.069 1.00 0.00 N ATOM 1927 CA VAL A 124 -13.140 -1.971 0.360 1.00 0.00 C ATOM 1928 C VAL A 124 -14.581 -2.208 0.798 1.00 0.00 C ATOM 1929 O VAL A 124 -15.087 -3.323 0.717 1.00 0.00 O ATOM 1930 CB VAL A 124 -12.180 -2.370 1.503 1.00 0.00 C ATOM 1931 CG1 VAL A 124 -10.736 -2.216 1.060 1.00 0.00 C ATOM 1932 CG2 VAL A 124 -12.445 -1.557 2.762 1.00 0.00 C ATOM 0 H VAL A 124 -12.547 0.030 0.636 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.910 -2.598 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.362 -3.418 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.073 -2.501 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.549 -2.858 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.548 -1.178 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.752 -1.864 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.304 -0.498 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.469 -1.727 3.096 1.00 0.00 H new ATOM 1942 N GLU A 125 -15.228 -1.120 1.208 1.00 0.00 N ATOM 1943 CA GLU A 125 -16.599 -1.117 1.691 1.00 0.00 C ATOM 1944 C GLU A 125 -16.884 -2.235 2.702 1.00 0.00 C ATOM 1945 O GLU A 125 -17.329 -3.328 2.341 1.00 0.00 O ATOM 1946 CB GLU A 125 -17.540 -1.178 0.496 1.00 0.00 C ATOM 1947 CG GLU A 125 -19.012 -1.323 0.857 1.00 0.00 C ATOM 1948 CD GLU A 125 -19.913 -1.348 -0.358 1.00 0.00 C ATOM 1949 OE1 GLU A 125 -20.080 -0.292 -1.005 1.00 0.00 O ATOM 1950 OE2 GLU A 125 -20.463 -2.426 -0.673 1.00 0.00 O ATOM 0 H GLU A 125 -14.799 -0.195 1.212 1.00 0.00 H new ATOM 0 HA GLU A 125 -16.766 -0.191 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.412 -0.273 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -17.250 -2.017 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -19.153 -2.241 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -19.306 -0.497 1.505 1.00 0.00 H new