USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -1.02 K(o=-6,f=-9.1!) USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -4.94! F(o=-6.7,f=-6!) USER MOD Set 2.1: A 10 SER OG : rot 180:sc= -0.0522 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -133:sc= -0.252 (180deg=-2.76!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.0793) USER MOD Single : A 3 ASN : amide:sc= -0.687 K(o=-0.69,f=-7!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 75:sc= 0.74 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -137:sc= -4.68 (180deg=-11.6!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.01 K(o=-2,f=-4!) USER MOD Single : A 50 TYR OH : rot -84:sc= 1.02 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -44:sc= 0.85 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0575 K(o=-0.057,f=-0.76) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.370 13.491 14.112 1.00 0.00 N ATOM 2 CA MET A 1 13.880 12.606 15.192 1.00 0.00 C ATOM 3 C MET A 1 13.258 11.216 15.106 1.00 0.00 C ATOM 4 O MET A 1 12.925 10.610 16.124 1.00 0.00 O ATOM 5 CB MET A 1 13.553 13.248 16.542 1.00 0.00 C ATOM 6 CG MET A 1 14.636 13.046 17.589 1.00 0.00 C ATOM 7 SD MET A 1 16.075 14.095 17.312 1.00 0.00 S ATOM 8 CE MET A 1 15.527 15.627 18.060 1.00 0.00 C ATOM 0 H1 MET A 1 13.675 14.469 14.292 1.00 0.00 H new ATOM 0 H2 MET A 1 13.747 13.174 13.196 1.00 0.00 H new ATOM 0 H3 MET A 1 12.331 13.450 14.092 1.00 0.00 H new ATOM 0 HA MET A 1 14.958 12.490 15.081 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.393 14.317 16.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.617 12.833 16.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.224 13.254 18.577 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.947 12.001 17.587 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.312 16.378 17.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.628 15.978 17.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.307 15.459 19.114 1.00 0.00 H new ATOM 20 N ASP A 2 13.104 10.717 13.884 1.00 0.00 N ATOM 21 CA ASP A 2 12.522 9.398 13.665 1.00 0.00 C ATOM 22 C ASP A 2 13.350 8.316 14.350 1.00 0.00 C ATOM 23 O ASP A 2 14.398 7.910 13.847 1.00 0.00 O ATOM 24 CB ASP A 2 12.414 9.110 12.169 1.00 0.00 C ATOM 25 CG ASP A 2 10.979 8.916 11.719 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.472 7.779 11.821 1.00 0.00 O ATOM 27 OD2 ASP A 2 10.361 9.902 11.265 1.00 0.00 O ATOM 0 H ASP A 2 13.374 11.206 13.031 1.00 0.00 H new ATOM 0 HA ASP A 2 11.523 9.391 14.101 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.859 9.934 11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.990 8.216 11.932 1.00 0.00 H new ATOM 32 N ASN A 3 12.873 7.852 15.500 1.00 0.00 N ATOM 33 CA ASN A 3 13.560 6.822 16.256 1.00 0.00 C ATOM 34 C ASN A 3 13.680 5.530 15.451 1.00 0.00 C ATOM 35 O ASN A 3 14.522 4.681 15.745 1.00 0.00 O ATOM 36 CB ASN A 3 12.813 6.560 17.561 1.00 0.00 C ATOM 37 CG ASN A 3 11.317 6.409 17.358 1.00 0.00 C ATOM 38 OD1 ASN A 3 10.851 6.171 16.244 1.00 0.00 O ATOM 39 ND2 ASN A 3 10.556 6.548 18.437 1.00 0.00 N ATOM 0 H ASN A 3 12.007 8.179 15.928 1.00 0.00 H new ATOM 0 HA ASN A 3 14.568 7.173 16.476 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.206 5.655 18.025 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.001 7.380 18.254 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.543 6.458 18.362 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.985 6.745 19.341 1.00 0.00 H new ATOM 46 N ASP A 4 12.835 5.387 14.436 1.00 0.00 N ATOM 47 CA ASP A 4 12.849 4.199 13.591 1.00 0.00 C ATOM 48 C ASP A 4 14.206 4.017 12.916 1.00 0.00 C ATOM 49 O ASP A 4 14.565 2.912 12.510 1.00 0.00 O ATOM 50 CB ASP A 4 11.746 4.284 12.538 1.00 0.00 C ATOM 51 CG ASP A 4 10.723 3.174 12.679 1.00 0.00 C ATOM 52 OD1 ASP A 4 9.740 3.363 13.427 1.00 0.00 O ATOM 53 OD2 ASP A 4 10.904 2.115 12.042 1.00 0.00 O ATOM 0 H ASP A 4 12.132 6.079 14.178 1.00 0.00 H new ATOM 0 HA ASP A 4 12.668 3.333 14.227 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.245 5.248 12.619 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.192 4.239 11.545 1.00 0.00 H new ATOM 58 N ALA A 5 14.954 5.108 12.799 1.00 0.00 N ATOM 59 CA ALA A 5 16.265 5.072 12.174 1.00 0.00 C ATOM 60 C ALA A 5 17.372 4.900 13.211 1.00 0.00 C ATOM 61 O ALA A 5 18.520 5.277 12.973 1.00 0.00 O ATOM 62 CB ALA A 5 16.495 6.335 11.358 1.00 0.00 C ATOM 0 H ALA A 5 14.671 6.030 13.131 1.00 0.00 H new ATOM 0 HA ALA A 5 16.295 4.209 11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 5 17.481 6.295 10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.733 6.411 10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 5 16.436 7.206 12.011 1.00 0.00 H new ATOM 68 N GLU A 6 17.023 4.332 14.362 1.00 0.00 N ATOM 69 CA GLU A 6 17.987 4.115 15.430 1.00 0.00 C ATOM 70 C GLU A 6 18.507 2.688 15.428 1.00 0.00 C ATOM 71 O GLU A 6 19.035 2.196 16.425 1.00 0.00 O ATOM 72 CB GLU A 6 17.352 4.422 16.773 1.00 0.00 C ATOM 73 CG GLU A 6 18.315 5.015 17.789 1.00 0.00 C ATOM 74 CD GLU A 6 17.650 5.312 19.118 1.00 0.00 C ATOM 75 OE1 GLU A 6 17.521 4.380 19.940 1.00 0.00 O ATOM 76 OE2 GLU A 6 17.259 6.478 19.339 1.00 0.00 O ATOM 0 H GLU A 6 16.078 4.014 14.577 1.00 0.00 H new ATOM 0 HA GLU A 6 18.829 4.785 15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.525 5.116 16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.928 3.505 17.181 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.142 4.323 17.947 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.741 5.934 17.387 1.00 0.00 H new ATOM 83 N GLY A 7 18.348 2.044 14.298 1.00 0.00 N ATOM 84 CA GLY A 7 18.794 0.672 14.142 1.00 0.00 C ATOM 85 C GLY A 7 17.647 -0.320 14.164 1.00 0.00 C ATOM 86 O GLY A 7 17.767 -1.429 13.644 1.00 0.00 O ATOM 0 H GLY A 7 17.912 2.445 13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.336 0.575 13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.495 0.429 14.940 1.00 0.00 H new ATOM 90 N VAL A 8 16.531 0.078 14.768 1.00 0.00 N ATOM 91 CA VAL A 8 15.362 -0.775 14.858 1.00 0.00 C ATOM 92 C VAL A 8 14.829 -1.146 13.477 1.00 0.00 C ATOM 93 O VAL A 8 14.088 -2.117 13.329 1.00 0.00 O ATOM 94 CB VAL A 8 14.248 -0.086 15.661 1.00 0.00 C ATOM 95 CG1 VAL A 8 14.532 -0.167 17.153 1.00 0.00 C ATOM 96 CG2 VAL A 8 14.079 1.362 15.220 1.00 0.00 C ATOM 0 H VAL A 8 16.417 0.993 15.204 1.00 0.00 H new ATOM 0 HA VAL A 8 15.670 -1.687 15.369 1.00 0.00 H new ATOM 0 HB VAL A 8 13.313 -0.610 15.464 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.731 0.327 17.703 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.589 -1.212 17.456 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.479 0.326 17.370 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.285 1.829 15.802 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.012 1.902 15.380 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.819 1.392 14.162 1.00 0.00 H new ATOM 106 N TRP A 9 15.211 -0.368 12.469 1.00 0.00 N ATOM 107 CA TRP A 9 14.770 -0.617 11.101 1.00 0.00 C ATOM 108 C TRP A 9 15.162 -2.020 10.647 1.00 0.00 C ATOM 109 O TRP A 9 16.335 -2.392 10.689 1.00 0.00 O ATOM 110 CB TRP A 9 15.363 0.426 10.157 1.00 0.00 C ATOM 111 CG TRP A 9 14.327 1.263 9.469 1.00 0.00 C ATOM 112 CD1 TRP A 9 13.064 0.881 9.120 1.00 0.00 C ATOM 113 CD2 TRP A 9 14.467 2.624 9.046 1.00 0.00 C ATOM 114 NE1 TRP A 9 12.410 1.921 8.506 1.00 0.00 N ATOM 115 CE2 TRP A 9 13.250 3.003 8.449 1.00 0.00 C ATOM 116 CE3 TRP A 9 15.503 3.560 9.115 1.00 0.00 C ATOM 117 CZ2 TRP A 9 13.041 4.276 7.924 1.00 0.00 C ATOM 118 CZ3 TRP A 9 15.295 4.824 8.594 1.00 0.00 C ATOM 119 CH2 TRP A 9 14.072 5.171 8.006 1.00 0.00 C ATOM 0 H TRP A 9 15.825 0.440 12.574 1.00 0.00 H new ATOM 0 HA TRP A 9 13.683 -0.542 11.076 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.030 1.078 10.721 1.00 0.00 H new ATOM 0 HB3 TRP A 9 15.970 -0.078 9.405 1.00 0.00 H new ATOM 0 HD1 TRP A 9 12.641 -0.096 9.300 1.00 0.00 H new ATOM 0 HE1 TRP A 9 11.454 1.893 8.150 1.00 0.00 H new ATOM 0 HE3 TRP A 9 16.449 3.301 9.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 12.100 4.546 7.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.088 5.555 8.641 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.940 6.167 7.609 1.00 0.00 H new ATOM 130 N SER A 10 14.172 -2.793 10.212 1.00 0.00 N ATOM 131 CA SER A 10 14.409 -4.148 9.749 1.00 0.00 C ATOM 132 C SER A 10 13.631 -4.431 8.466 1.00 0.00 C ATOM 133 O SER A 10 12.654 -3.748 8.159 1.00 0.00 O ATOM 134 CB SER A 10 14.019 -5.157 10.832 1.00 0.00 C ATOM 135 OG SER A 10 14.042 -4.561 12.117 1.00 0.00 O ATOM 0 H SER A 10 13.196 -2.499 10.172 1.00 0.00 H new ATOM 0 HA SER A 10 15.473 -4.250 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.022 -5.548 10.627 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.705 -6.004 10.808 1.00 0.00 H new ATOM 0 HG SER A 10 13.788 -5.226 12.791 1.00 0.00 H new ATOM 141 N PRO A 11 14.058 -5.446 7.697 1.00 0.00 N ATOM 142 CA PRO A 11 13.399 -5.818 6.441 1.00 0.00 C ATOM 143 C PRO A 11 12.007 -6.404 6.658 1.00 0.00 C ATOM 144 O PRO A 11 11.240 -6.571 5.709 1.00 0.00 O ATOM 145 CB PRO A 11 14.334 -6.870 5.843 1.00 0.00 C ATOM 146 CG PRO A 11 15.056 -7.438 7.011 1.00 0.00 C ATOM 147 CD PRO A 11 15.215 -6.309 7.989 1.00 0.00 C ATOM 0 HA PRO A 11 13.242 -4.952 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.776 -7.639 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.026 -6.425 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.495 -8.261 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.026 -7.836 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.203 -6.664 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.158 -5.781 7.845 1.00 0.00 H new ATOM 155 N ASP A 12 11.684 -6.714 7.910 1.00 0.00 N ATOM 156 CA ASP A 12 10.382 -7.280 8.246 1.00 0.00 C ATOM 157 C ASP A 12 9.251 -6.356 7.809 1.00 0.00 C ATOM 158 O ASP A 12 8.122 -6.797 7.595 1.00 0.00 O ATOM 159 CB ASP A 12 10.291 -7.541 9.747 1.00 0.00 C ATOM 160 CG ASP A 12 10.246 -9.020 10.077 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.138 -9.598 10.065 1.00 0.00 O ATOM 162 OD2 ASP A 12 11.318 -9.601 10.347 1.00 0.00 O ATOM 0 H ASP A 12 12.306 -6.583 8.708 1.00 0.00 H new ATOM 0 HA ASP A 12 10.278 -8.224 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.148 -7.087 10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.399 -7.056 10.143 1.00 0.00 H new ATOM 167 N ILE A 13 9.565 -5.075 7.676 1.00 0.00 N ATOM 168 CA ILE A 13 8.580 -4.089 7.262 1.00 0.00 C ATOM 169 C ILE A 13 8.305 -4.211 5.776 1.00 0.00 C ATOM 170 O ILE A 13 7.155 -4.245 5.336 1.00 0.00 O ATOM 171 CB ILE A 13 9.038 -2.652 7.611 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.826 -1.759 7.878 1.00 0.00 C ATOM 173 CG2 ILE A 13 9.914 -2.051 6.516 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.948 -2.253 9.007 1.00 0.00 C ATOM 0 H ILE A 13 10.496 -4.695 7.849 1.00 0.00 H new ATOM 0 HA ILE A 13 7.658 -4.286 7.809 1.00 0.00 H new ATOM 0 HB ILE A 13 9.643 -2.711 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.171 -0.752 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.229 -1.689 6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.213 -1.042 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.802 -2.668 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.354 -2.012 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.108 -1.571 9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.573 -3.248 8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.530 -2.296 9.928 1.00 0.00 H new ATOM 186 N GLU A 14 9.379 -4.293 5.016 1.00 0.00 N ATOM 187 CA GLU A 14 9.285 -4.433 3.572 1.00 0.00 C ATOM 188 C GLU A 14 8.595 -5.742 3.217 1.00 0.00 C ATOM 189 O GLU A 14 7.986 -5.871 2.155 1.00 0.00 O ATOM 190 CB GLU A 14 10.675 -4.378 2.935 1.00 0.00 C ATOM 191 CG GLU A 14 11.157 -2.966 2.648 1.00 0.00 C ATOM 192 CD GLU A 14 10.998 -2.580 1.191 1.00 0.00 C ATOM 193 OE1 GLU A 14 11.874 -2.948 0.380 1.00 0.00 O ATOM 194 OE2 GLU A 14 9.998 -1.909 0.860 1.00 0.00 O ATOM 0 H GLU A 14 10.333 -4.265 5.375 1.00 0.00 H new ATOM 0 HA GLU A 14 8.694 -3.605 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.388 -4.869 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.662 -4.945 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.601 -2.263 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.206 -2.880 2.930 1.00 0.00 H new ATOM 201 N GLN A 15 8.688 -6.709 4.123 1.00 0.00 N ATOM 202 CA GLN A 15 8.069 -8.003 3.924 1.00 0.00 C ATOM 203 C GLN A 15 6.571 -7.909 4.120 1.00 0.00 C ATOM 204 O GLN A 15 5.787 -8.344 3.276 1.00 0.00 O ATOM 205 CB GLN A 15 8.669 -9.016 4.874 1.00 0.00 C ATOM 206 CG GLN A 15 9.832 -9.767 4.265 1.00 0.00 C ATOM 207 CD GLN A 15 9.393 -10.964 3.445 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.898 -11.954 3.985 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.573 -10.881 2.132 1.00 0.00 N ATOM 0 H GLN A 15 9.190 -6.615 5.006 1.00 0.00 H new ATOM 0 HA GLN A 15 8.258 -8.330 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.003 -8.507 5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.899 -9.727 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.405 -9.089 3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.499 -10.101 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.987 -10.042 1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.297 -11.656 1.529 1.00 0.00 H new ATOM 218 N SER A 16 6.184 -7.312 5.233 1.00 0.00 N ATOM 219 CA SER A 16 4.779 -7.123 5.545 1.00 0.00 C ATOM 220 C SER A 16 4.140 -6.211 4.505 1.00 0.00 C ATOM 221 O SER A 16 2.928 -6.240 4.293 1.00 0.00 O ATOM 222 CB SER A 16 4.615 -6.525 6.944 1.00 0.00 C ATOM 223 OG SER A 16 5.324 -7.283 7.909 1.00 0.00 O ATOM 0 H SER A 16 6.826 -6.949 5.938 1.00 0.00 H new ATOM 0 HA SER A 16 4.281 -8.092 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.976 -5.497 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.558 -6.493 7.207 1.00 0.00 H new ATOM 0 HG SER A 16 6.283 -7.099 7.829 1.00 0.00 H new ATOM 229 N PHE A 17 4.975 -5.406 3.853 1.00 0.00 N ATOM 230 CA PHE A 17 4.511 -4.488 2.828 1.00 0.00 C ATOM 231 C PHE A 17 4.012 -5.249 1.611 1.00 0.00 C ATOM 232 O PHE A 17 3.037 -4.851 0.973 1.00 0.00 O ATOM 233 CB PHE A 17 5.628 -3.527 2.429 1.00 0.00 C ATOM 234 CG PHE A 17 5.310 -2.087 2.712 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.355 -1.417 1.966 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.966 -1.405 3.723 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.060 -0.092 2.222 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.676 -0.079 3.985 1.00 0.00 C ATOM 239 CZ PHE A 17 4.721 0.578 3.233 1.00 0.00 C ATOM 0 H PHE A 17 5.981 -5.374 4.021 1.00 0.00 H new ATOM 0 HA PHE A 17 3.682 -3.911 3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.539 -3.801 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.833 -3.643 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.835 -1.936 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.713 -1.915 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.313 0.419 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.195 0.442 4.776 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.492 1.614 3.435 1.00 0.00 H new ATOM 249 N GLN A 18 4.680 -6.350 1.299 1.00 0.00 N ATOM 250 CA GLN A 18 4.290 -7.168 0.160 1.00 0.00 C ATOM 251 C GLN A 18 2.915 -7.771 0.391 1.00 0.00 C ATOM 252 O GLN A 18 2.126 -7.927 -0.539 1.00 0.00 O ATOM 253 CB GLN A 18 5.310 -8.280 -0.095 1.00 0.00 C ATOM 254 CG GLN A 18 4.798 -9.366 -1.032 1.00 0.00 C ATOM 255 CD GLN A 18 5.911 -10.231 -1.590 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.450 -11.093 -0.897 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.262 -10.003 -2.851 1.00 0.00 N ATOM 0 H GLN A 18 5.489 -6.696 1.815 1.00 0.00 H new ATOM 0 HA GLN A 18 4.256 -6.525 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.215 -7.843 -0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.588 -8.733 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.087 -9.996 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.256 -8.903 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.788 -9.278 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.006 -10.553 -3.281 1.00 0.00 H new ATOM 266 N GLU A 19 2.642 -8.109 1.639 1.00 0.00 N ATOM 267 CA GLU A 19 1.363 -8.697 2.004 1.00 0.00 C ATOM 268 C GLU A 19 0.230 -7.732 1.708 1.00 0.00 C ATOM 269 O GLU A 19 -0.828 -8.126 1.221 1.00 0.00 O ATOM 270 CB GLU A 19 1.357 -9.091 3.479 1.00 0.00 C ATOM 271 CG GLU A 19 1.127 -10.576 3.711 1.00 0.00 C ATOM 272 CD GLU A 19 -0.145 -11.078 3.057 1.00 0.00 C ATOM 273 OE1 GLU A 19 -1.099 -10.282 2.926 1.00 0.00 O ATOM 274 OE2 GLU A 19 -0.187 -12.267 2.676 1.00 0.00 O ATOM 0 H GLU A 19 3.289 -7.987 2.418 1.00 0.00 H new ATOM 0 HA GLU A 19 1.215 -9.596 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.309 -8.805 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.580 -8.527 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.977 -11.137 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.081 -10.770 4.783 1.00 0.00 H new ATOM 281 N ALA A 20 0.466 -6.465 1.996 1.00 0.00 N ATOM 282 CA ALA A 20 -0.527 -5.433 1.754 1.00 0.00 C ATOM 283 C ALA A 20 -0.612 -5.106 0.271 1.00 0.00 C ATOM 284 O ALA A 20 -1.656 -4.684 -0.224 1.00 0.00 O ATOM 285 CB ALA A 20 -0.210 -4.185 2.563 1.00 0.00 C ATOM 0 H ALA A 20 1.339 -6.125 2.399 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.498 -5.811 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.965 -3.424 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.208 -4.431 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.771 -3.805 2.277 1.00 0.00 H new ATOM 291 N LEU A 21 0.491 -5.314 -0.434 1.00 0.00 N ATOM 292 CA LEU A 21 0.540 -5.055 -1.861 1.00 0.00 C ATOM 293 C LEU A 21 -0.034 -6.234 -2.631 1.00 0.00 C ATOM 294 O LEU A 21 -0.665 -6.064 -3.675 1.00 0.00 O ATOM 295 CB LEU A 21 1.972 -4.768 -2.307 1.00 0.00 C ATOM 296 CG LEU A 21 2.205 -3.365 -2.872 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.239 -3.082 -4.012 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.060 -2.320 -1.776 1.00 0.00 C ATOM 0 H LEU A 21 1.364 -5.662 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.066 -4.174 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.638 -4.916 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.254 -5.500 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 21 3.221 -3.315 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.419 -2.080 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.390 -3.813 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.214 -3.150 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.229 -1.328 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.056 -2.370 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.792 -2.512 -0.991 1.00 0.00 H new ATOM 310 N SER A 22 0.176 -7.427 -2.094 1.00 0.00 N ATOM 311 CA SER A 22 -0.331 -8.639 -2.709 1.00 0.00 C ATOM 312 C SER A 22 -1.817 -8.779 -2.425 1.00 0.00 C ATOM 313 O SER A 22 -2.580 -9.284 -3.249 1.00 0.00 O ATOM 314 CB SER A 22 0.425 -9.864 -2.189 1.00 0.00 C ATOM 315 OG SER A 22 0.015 -11.041 -2.863 1.00 0.00 O ATOM 0 H SER A 22 0.697 -7.579 -1.230 1.00 0.00 H new ATOM 0 HA SER A 22 -0.178 -8.574 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.497 -9.718 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.251 -9.975 -1.119 1.00 0.00 H new ATOM 0 HG SER A 22 0.514 -11.809 -2.513 1.00 0.00 H new ATOM 321 N ILE A 23 -2.216 -8.313 -1.250 1.00 0.00 N ATOM 322 CA ILE A 23 -3.608 -8.363 -0.836 1.00 0.00 C ATOM 323 C ILE A 23 -4.349 -7.111 -1.282 1.00 0.00 C ATOM 324 O ILE A 23 -5.518 -7.161 -1.664 1.00 0.00 O ATOM 325 CB ILE A 23 -3.732 -8.527 0.697 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.843 -9.521 1.038 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.980 -7.188 1.384 1.00 0.00 C ATOM 328 CD1 ILE A 23 -6.225 -9.038 0.654 1.00 0.00 C ATOM 0 H ILE A 23 -1.589 -7.893 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.060 -9.232 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.785 -8.918 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.643 -10.465 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.822 -9.724 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.062 -7.341 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.150 -6.513 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.906 -6.752 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.963 -9.793 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.445 -8.110 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.263 -8.863 -0.421 1.00 0.00 H new ATOM 340 N TYR A 24 -3.648 -5.991 -1.219 1.00 0.00 N ATOM 341 CA TYR A 24 -4.206 -4.706 -1.603 1.00 0.00 C ATOM 342 C TYR A 24 -3.428 -4.087 -2.763 1.00 0.00 C ATOM 343 O TYR A 24 -2.594 -3.204 -2.561 1.00 0.00 O ATOM 344 CB TYR A 24 -4.210 -3.756 -0.411 1.00 0.00 C ATOM 345 CG TYR A 24 -5.425 -2.859 -0.346 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.709 -3.388 -0.394 1.00 0.00 C ATOM 347 CD2 TYR A 24 -5.286 -1.482 -0.233 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.820 -2.568 -0.333 1.00 0.00 C ATOM 349 CE2 TYR A 24 -6.391 -0.655 -0.169 1.00 0.00 C ATOM 350 CZ TYR A 24 -7.656 -1.203 -0.220 1.00 0.00 C ATOM 351 OH TYR A 24 -8.760 -0.384 -0.158 1.00 0.00 O ATOM 0 H TYR A 24 -2.680 -5.947 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.231 -4.872 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.153 -4.341 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.314 -3.136 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.841 -4.456 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.297 -1.050 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.812 -2.994 -0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.265 0.414 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.503 -0.867 0.261 1.00 0.00 H new ATOM 361 N PRO A 25 -3.691 -4.543 -4.002 1.00 0.00 N ATOM 362 CA PRO A 25 -3.024 -4.041 -5.192 1.00 0.00 C ATOM 363 C PRO A 25 -3.754 -2.848 -5.804 1.00 0.00 C ATOM 364 O PRO A 25 -4.903 -2.570 -5.458 1.00 0.00 O ATOM 365 CB PRO A 25 -3.060 -5.239 -6.148 1.00 0.00 C ATOM 366 CG PRO A 25 -4.053 -6.210 -5.580 1.00 0.00 C ATOM 367 CD PRO A 25 -4.656 -5.583 -4.349 1.00 0.00 C ATOM 0 HA PRO A 25 -2.019 -3.680 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.353 -4.926 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.075 -5.697 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.828 -6.437 -6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.566 -7.152 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.643 -5.166 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.775 -6.308 -3.544 1.00 0.00 H new ATOM 375 N PRO A 26 -3.097 -2.125 -6.728 1.00 0.00 N ATOM 376 CA PRO A 26 -3.693 -0.961 -7.388 1.00 0.00 C ATOM 377 C PRO A 26 -4.991 -1.303 -8.102 1.00 0.00 C ATOM 378 O PRO A 26 -6.070 -0.857 -7.710 1.00 0.00 O ATOM 379 CB PRO A 26 -2.626 -0.518 -8.397 1.00 0.00 C ATOM 380 CG PRO A 26 -1.693 -1.672 -8.520 1.00 0.00 C ATOM 381 CD PRO A 26 -1.730 -2.385 -7.200 1.00 0.00 C ATOM 0 HA PRO A 26 -3.957 -0.185 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.074 -0.271 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.104 0.374 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.999 -2.335 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.683 -1.333 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.536 -3.452 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.982 -1.996 -6.509 1.00 0.00 H new ATOM 389 N CYS A 27 -4.872 -2.098 -9.150 1.00 0.00 N ATOM 390 CA CYS A 27 -6.023 -2.515 -9.936 1.00 0.00 C ATOM 391 C CYS A 27 -6.769 -3.656 -9.251 1.00 0.00 C ATOM 392 O CYS A 27 -6.289 -4.224 -8.270 1.00 0.00 O ATOM 393 CB CYS A 27 -5.583 -2.938 -11.335 1.00 0.00 C ATOM 394 SG CYS A 27 -6.272 -1.924 -12.664 1.00 0.00 S ATOM 0 H CYS A 27 -3.982 -2.472 -9.480 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.702 -1.666 -10.020 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.495 -2.899 -11.389 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.873 -3.976 -11.497 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.840 -2.359 -13.810 1.00 0.00 H new ATOM 400 N GLY A 28 -7.945 -3.988 -9.777 1.00 0.00 N ATOM 401 CA GLY A 28 -8.738 -5.061 -9.205 1.00 0.00 C ATOM 402 C GLY A 28 -9.042 -4.841 -7.736 1.00 0.00 C ATOM 403 O GLY A 28 -9.006 -5.780 -6.940 1.00 0.00 O ATOM 0 H GLY A 28 -8.362 -3.533 -10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.674 -5.150 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.206 -6.005 -9.325 1.00 0.00 H new ATOM 407 N ARG A 29 -9.340 -3.597 -7.375 1.00 0.00 N ATOM 408 CA ARG A 29 -9.651 -3.257 -5.992 1.00 0.00 C ATOM 409 C ARG A 29 -10.874 -4.025 -5.502 1.00 0.00 C ATOM 410 O ARG A 29 -11.897 -4.084 -6.184 1.00 0.00 O ATOM 411 CB ARG A 29 -9.892 -1.752 -5.857 1.00 0.00 C ATOM 412 CG ARG A 29 -8.629 -0.957 -5.569 1.00 0.00 C ATOM 413 CD ARG A 29 -8.954 0.446 -5.080 1.00 0.00 C ATOM 414 NE ARG A 29 -8.876 1.432 -6.155 1.00 0.00 N ATOM 415 CZ ARG A 29 -8.841 2.747 -5.954 1.00 0.00 C ATOM 416 NH1 ARG A 29 -8.877 3.238 -4.721 1.00 0.00 N ATOM 417 NH2 ARG A 29 -8.770 3.574 -6.988 1.00 0.00 N ATOM 0 H ARG A 29 -9.373 -2.808 -8.021 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.798 -3.539 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.343 -1.381 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.611 -1.578 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.034 -1.477 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.021 -0.897 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.955 0.457 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.262 0.722 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.847 1.093 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.932 2.606 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.850 4.247 -4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.742 3.202 -7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.743 4.582 -6.834 1.00 0.00 H new ATOM 431 N ARG A 30 -10.761 -4.610 -4.314 1.00 0.00 N ATOM 432 CA ARG A 30 -11.858 -5.374 -3.729 1.00 0.00 C ATOM 433 C ARG A 30 -13.101 -4.504 -3.571 1.00 0.00 C ATOM 434 O ARG A 30 -13.138 -3.366 -4.039 1.00 0.00 O ATOM 435 CB ARG A 30 -11.442 -5.946 -2.372 1.00 0.00 C ATOM 436 CG ARG A 30 -11.817 -7.408 -2.187 1.00 0.00 C ATOM 437 CD ARG A 30 -10.892 -8.325 -2.971 1.00 0.00 C ATOM 438 NE ARG A 30 -11.617 -9.426 -3.601 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.146 -10.446 -2.928 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.033 -10.508 -1.607 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.789 -11.406 -3.578 1.00 0.00 N ATOM 0 H ARG A 30 -9.921 -4.570 -3.737 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.097 -6.197 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.363 -5.839 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.907 -5.357 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.774 -7.665 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.846 -7.564 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.373 -7.748 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.130 -8.728 -2.304 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.724 -9.413 -4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.539 -9.772 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.440 -11.292 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.878 -11.363 -4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.194 -12.188 -3.063 1.00 0.00 H new ATOM 455 N LYS A 31 -14.120 -5.046 -2.908 1.00 0.00 N ATOM 456 CA LYS A 31 -15.366 -4.318 -2.688 1.00 0.00 C ATOM 457 C LYS A 31 -15.095 -2.926 -2.125 1.00 0.00 C ATOM 458 O LYS A 31 -14.729 -2.776 -0.959 1.00 0.00 O ATOM 459 CB LYS A 31 -16.275 -5.099 -1.736 1.00 0.00 C ATOM 460 CG LYS A 31 -17.746 -5.042 -2.116 1.00 0.00 C ATOM 461 CD LYS A 31 -18.345 -3.676 -1.821 1.00 0.00 C ATOM 462 CE LYS A 31 -19.531 -3.381 -2.726 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.127 -2.625 -3.943 1.00 0.00 N ATOM 0 H LYS A 31 -14.107 -5.987 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.867 -4.207 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.954 -6.140 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.153 -4.706 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.858 -5.268 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.295 -5.807 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.662 -3.634 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.584 -2.907 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.004 -4.318 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.276 -2.808 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.964 -2.444 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.699 -1.720 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.436 -3.182 -4.484 1.00 0.00 H new ATOM 477 N ILE A 32 -15.273 -1.911 -2.964 1.00 0.00 N ATOM 478 CA ILE A 32 -15.043 -0.532 -2.557 1.00 0.00 C ATOM 479 C ILE A 32 -16.105 -0.064 -1.564 1.00 0.00 C ATOM 480 O ILE A 32 -17.191 -0.638 -1.484 1.00 0.00 O ATOM 481 CB ILE A 32 -15.025 0.413 -3.778 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.518 1.801 -3.377 1.00 0.00 C ATOM 483 CG2 ILE A 32 -16.409 0.509 -4.406 1.00 0.00 C ATOM 484 CD1 ILE A 32 -13.139 1.785 -2.751 1.00 0.00 C ATOM 0 H ILE A 32 -15.576 -2.019 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.068 -0.499 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.342 -0.001 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.500 2.441 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.222 2.247 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.373 1.180 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.730 -0.480 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -17.116 0.896 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.845 2.802 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.156 1.172 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.423 1.369 -3.460 1.00 0.00 H new ATOM 496 N ILE A 33 -15.781 0.981 -0.811 1.00 0.00 N ATOM 497 CA ILE A 33 -16.703 1.529 0.177 1.00 0.00 C ATOM 498 C ILE A 33 -17.819 2.323 -0.497 1.00 0.00 C ATOM 499 O ILE A 33 -17.850 2.451 -1.721 1.00 0.00 O ATOM 500 CB ILE A 33 -15.997 2.431 1.213 1.00 0.00 C ATOM 501 CG1 ILE A 33 -14.493 2.129 1.286 1.00 0.00 C ATOM 502 CG2 ILE A 33 -16.644 2.264 2.583 1.00 0.00 C ATOM 503 CD1 ILE A 33 -13.789 2.807 2.443 1.00 0.00 C ATOM 0 H ILE A 33 -14.886 1.466 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 33 -17.124 0.673 0.704 1.00 0.00 H new ATOM 0 HB ILE A 33 -16.111 3.467 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.352 1.051 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.023 2.442 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -16.138 2.905 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -17.696 2.543 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -16.561 1.224 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -12.731 2.546 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -13.898 3.888 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -14.231 2.476 3.383 1.00 0.00 H new ATOM 515 N LEU A 34 -18.737 2.849 0.309 1.00 0.00 N ATOM 516 CA LEU A 34 -19.861 3.625 -0.200 1.00 0.00 C ATOM 517 C LEU A 34 -19.472 5.078 -0.481 1.00 0.00 C ATOM 518 O LEU A 34 -20.281 5.988 -0.300 1.00 0.00 O ATOM 519 CB LEU A 34 -21.024 3.575 0.790 1.00 0.00 C ATOM 520 CG LEU A 34 -22.287 2.885 0.271 1.00 0.00 C ATOM 521 CD1 LEU A 34 -23.392 2.942 1.313 1.00 0.00 C ATOM 522 CD2 LEU A 34 -22.745 3.526 -1.031 1.00 0.00 C ATOM 0 H LEU A 34 -18.723 2.750 1.324 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.168 3.178 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.692 3.061 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -21.278 4.594 1.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -22.054 1.838 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -24.283 2.446 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -23.062 2.438 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -23.625 3.982 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -23.644 3.024 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.961 4.581 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.958 3.433 -1.779 1.00 0.00 H new ATOM 534 N SER A 35 -18.233 5.295 -0.923 1.00 0.00 N ATOM 535 CA SER A 35 -17.743 6.639 -1.227 1.00 0.00 C ATOM 536 C SER A 35 -18.775 7.449 -2.005 1.00 0.00 C ATOM 537 O SER A 35 -18.829 8.674 -1.899 1.00 0.00 O ATOM 538 CB SER A 35 -16.437 6.560 -2.021 1.00 0.00 C ATOM 539 OG SER A 35 -16.148 5.226 -2.404 1.00 0.00 O ATOM 0 H SER A 35 -17.549 4.555 -1.079 1.00 0.00 H new ATOM 0 HA SER A 35 -17.560 7.146 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.510 7.188 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.618 6.953 -1.419 1.00 0.00 H new ATOM 0 HG SER A 35 -15.309 5.206 -2.911 1.00 0.00 H new ATOM 545 N ASP A 36 -19.592 6.754 -2.783 1.00 0.00 N ATOM 546 CA ASP A 36 -20.627 7.402 -3.580 1.00 0.00 C ATOM 547 C ASP A 36 -21.590 8.182 -2.689 1.00 0.00 C ATOM 548 O ASP A 36 -21.881 9.350 -2.947 1.00 0.00 O ATOM 549 CB ASP A 36 -21.397 6.363 -4.396 1.00 0.00 C ATOM 550 CG ASP A 36 -21.805 6.885 -5.760 1.00 0.00 C ATOM 551 OD1 ASP A 36 -22.875 7.523 -5.856 1.00 0.00 O ATOM 552 OD2 ASP A 36 -21.055 6.656 -6.732 1.00 0.00 O ATOM 0 H ASP A 36 -19.559 5.739 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.142 8.101 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.780 5.473 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -22.287 6.059 -3.845 1.00 0.00 H new ATOM 557 N GLU A 37 -22.083 7.527 -1.643 1.00 0.00 N ATOM 558 CA GLU A 37 -23.012 8.156 -0.717 1.00 0.00 C ATOM 559 C GLU A 37 -22.289 9.107 0.227 1.00 0.00 C ATOM 560 O GLU A 37 -22.807 10.166 0.583 1.00 0.00 O ATOM 561 CB GLU A 37 -23.769 7.096 0.080 1.00 0.00 C ATOM 562 CG GLU A 37 -25.269 7.119 -0.147 1.00 0.00 C ATOM 563 CD GLU A 37 -26.050 7.398 1.122 1.00 0.00 C ATOM 564 OE1 GLU A 37 -25.900 8.505 1.681 1.00 0.00 O ATOM 565 OE2 GLU A 37 -26.812 6.510 1.558 1.00 0.00 O ATOM 0 H GLU A 37 -21.853 6.559 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.726 8.736 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -23.385 6.111 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -23.569 7.240 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -25.508 7.880 -0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -25.584 6.161 -0.559 1.00 0.00 H new ATOM 572 N GLY A 38 -21.089 8.718 0.627 1.00 0.00 N ATOM 573 CA GLY A 38 -20.303 9.534 1.526 1.00 0.00 C ATOM 574 C GLY A 38 -19.613 8.719 2.597 1.00 0.00 C ATOM 575 O GLY A 38 -19.751 8.993 3.789 1.00 0.00 O ATOM 0 H GLY A 38 -20.643 7.846 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.555 10.082 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -20.949 10.274 1.998 1.00 0.00 H new ATOM 579 N LYS A 39 -18.860 7.726 2.163 1.00 0.00 N ATOM 580 CA LYS A 39 -18.124 6.866 3.064 1.00 0.00 C ATOM 581 C LYS A 39 -16.813 6.438 2.424 1.00 0.00 C ATOM 582 O LYS A 39 -16.745 5.425 1.730 1.00 0.00 O ATOM 583 CB LYS A 39 -18.957 5.637 3.433 1.00 0.00 C ATOM 584 CG LYS A 39 -18.694 5.123 4.839 1.00 0.00 C ATOM 585 CD LYS A 39 -19.870 4.316 5.366 1.00 0.00 C ATOM 586 CE LYS A 39 -19.404 3.131 6.196 1.00 0.00 C ATOM 587 NZ LYS A 39 -19.445 3.423 7.655 1.00 0.00 N ATOM 0 H LYS A 39 -18.743 7.495 1.177 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.907 7.423 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.015 5.883 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.749 4.840 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.797 4.504 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.501 5.964 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.510 4.957 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.473 3.962 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.034 2.268 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.387 2.864 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.120 2.590 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.825 4.231 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.420 3.653 7.936 1.00 0.00 H new ATOM 601 N MET A 40 -15.775 7.218 2.671 1.00 0.00 N ATOM 602 CA MET A 40 -14.457 6.934 2.135 1.00 0.00 C ATOM 603 C MET A 40 -13.371 7.421 3.085 1.00 0.00 C ATOM 604 O MET A 40 -12.865 8.535 2.951 1.00 0.00 O ATOM 605 CB MET A 40 -14.284 7.589 0.764 1.00 0.00 C ATOM 606 CG MET A 40 -13.473 6.753 -0.213 1.00 0.00 C ATOM 607 SD MET A 40 -11.855 6.296 0.439 1.00 0.00 S ATOM 608 CE MET A 40 -12.015 4.514 0.519 1.00 0.00 C ATOM 0 H MET A 40 -15.822 8.060 3.245 1.00 0.00 H new ATOM 0 HA MET A 40 -14.363 5.854 2.024 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.268 7.780 0.336 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.798 8.556 0.892 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.029 5.849 -0.460 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.342 7.310 -1.141 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.597 4.153 1.459 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.069 4.240 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.477 4.063 -0.315 1.00 0.00 H new ATOM 618 N TYR A 41 -13.015 6.574 4.040 1.00 0.00 N ATOM 619 CA TYR A 41 -11.987 6.905 5.014 1.00 0.00 C ATOM 620 C TYR A 41 -10.596 6.761 4.405 1.00 0.00 C ATOM 621 O TYR A 41 -10.456 6.460 3.219 1.00 0.00 O ATOM 622 CB TYR A 41 -12.117 6.012 6.247 1.00 0.00 C ATOM 623 CG TYR A 41 -12.417 6.774 7.518 1.00 0.00 C ATOM 624 CD1 TYR A 41 -13.685 7.287 7.760 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.432 6.980 8.476 1.00 0.00 C ATOM 626 CE1 TYR A 41 -13.963 7.984 8.921 1.00 0.00 C ATOM 627 CE2 TYR A 41 -11.702 7.676 9.639 1.00 0.00 C ATOM 628 CZ TYR A 41 -12.969 8.176 9.856 1.00 0.00 C ATOM 629 OH TYR A 41 -13.242 8.869 11.013 1.00 0.00 O ATOM 0 H TYR A 41 -13.426 5.648 4.161 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.125 7.944 5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.909 5.283 6.075 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.191 5.452 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.466 7.139 7.029 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.439 6.590 8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.954 8.376 9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.925 7.828 10.374 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.434 8.914 11.566 1.00 0.00 H new ATOM 639 N GLY A 42 -9.570 6.974 5.221 1.00 0.00 N ATOM 640 CA GLY A 42 -8.206 6.860 4.741 1.00 0.00 C ATOM 641 C GLY A 42 -7.890 5.470 4.223 1.00 0.00 C ATOM 642 O GLY A 42 -7.656 4.549 5.005 1.00 0.00 O ATOM 0 H GLY A 42 -9.659 7.224 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.041 7.587 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.517 7.109 5.548 1.00 0.00 H new ATOM 646 N ARG A 43 -7.886 5.318 2.903 1.00 0.00 N ATOM 647 CA ARG A 43 -7.599 4.029 2.284 1.00 0.00 C ATOM 648 C ARG A 43 -6.213 3.532 2.671 1.00 0.00 C ATOM 649 O ARG A 43 -5.972 2.327 2.748 1.00 0.00 O ATOM 650 CB ARG A 43 -7.718 4.129 0.765 1.00 0.00 C ATOM 651 CG ARG A 43 -8.774 3.208 0.176 1.00 0.00 C ATOM 652 CD ARG A 43 -8.800 3.283 -1.343 1.00 0.00 C ATOM 653 NE ARG A 43 -7.457 3.236 -1.919 1.00 0.00 N ATOM 654 CZ ARG A 43 -6.698 4.310 -2.130 1.00 0.00 C ATOM 655 NH1 ARG A 43 -7.140 5.521 -1.812 1.00 0.00 N ATOM 656 NH2 ARG A 43 -5.491 4.172 -2.660 1.00 0.00 N ATOM 0 H ARG A 43 -8.078 6.070 2.242 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.333 3.310 2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.954 5.158 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.752 3.895 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.577 2.182 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.754 3.478 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.392 2.456 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.294 4.204 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.078 2.324 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.067 5.634 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.552 6.338 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.145 3.244 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.908 4.993 -2.822 1.00 0.00 H new ATOM 670 N ASN A 44 -5.308 4.467 2.918 1.00 0.00 N ATOM 671 CA ASN A 44 -3.946 4.125 3.303 1.00 0.00 C ATOM 672 C ASN A 44 -3.926 3.446 4.665 1.00 0.00 C ATOM 673 O ASN A 44 -3.048 2.634 4.955 1.00 0.00 O ATOM 674 CB ASN A 44 -3.067 5.374 3.320 1.00 0.00 C ATOM 675 CG ASN A 44 -1.931 5.296 2.319 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.456 4.210 1.985 1.00 0.00 O ATOM 677 ND2 ASN A 44 -1.487 6.450 1.836 1.00 0.00 N ATOM 0 H ASN A 44 -5.492 5.469 2.859 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.548 3.428 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.680 6.249 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.657 5.513 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.723 6.460 1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.910 7.327 2.140 1.00 0.00 H new ATOM 684 N GLU A 45 -4.907 3.779 5.493 1.00 0.00 N ATOM 685 CA GLU A 45 -5.014 3.198 6.823 1.00 0.00 C ATOM 686 C GLU A 45 -5.318 1.708 6.733 1.00 0.00 C ATOM 687 O GLU A 45 -4.958 0.934 7.619 1.00 0.00 O ATOM 688 CB GLU A 45 -6.102 3.908 7.631 1.00 0.00 C ATOM 689 CG GLU A 45 -5.783 4.020 9.113 1.00 0.00 C ATOM 690 CD GLU A 45 -6.898 4.679 9.901 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.122 5.893 9.712 1.00 0.00 O ATOM 692 OE2 GLU A 45 -7.548 3.980 10.707 1.00 0.00 O ATOM 0 H GLU A 45 -5.641 4.450 5.266 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.058 3.329 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.252 4.908 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.042 3.370 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.597 3.025 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.865 4.593 9.241 1.00 0.00 H new ATOM 699 N LEU A 46 -5.979 1.317 5.651 1.00 0.00 N ATOM 700 CA LEU A 46 -6.332 -0.078 5.433 1.00 0.00 C ATOM 701 C LEU A 46 -5.095 -0.912 5.153 1.00 0.00 C ATOM 702 O LEU A 46 -4.870 -1.947 5.780 1.00 0.00 O ATOM 703 CB LEU A 46 -7.322 -0.203 4.276 1.00 0.00 C ATOM 704 CG LEU A 46 -8.583 -1.012 4.580 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.444 -1.141 3.333 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.216 -2.386 5.118 1.00 0.00 C ATOM 0 H LEU A 46 -6.282 1.949 4.910 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.802 -0.454 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.619 0.798 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.811 -0.662 3.430 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.157 -0.485 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.338 -1.720 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.734 -0.149 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.878 -1.647 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.125 -2.949 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.622 -2.921 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.637 -2.275 6.035 1.00 0.00 H new ATOM 718 N ILE A 47 -4.294 -0.446 4.214 1.00 0.00 N ATOM 719 CA ILE A 47 -3.067 -1.141 3.851 1.00 0.00 C ATOM 720 C ILE A 47 -2.033 -0.994 4.955 1.00 0.00 C ATOM 721 O ILE A 47 -1.195 -1.872 5.159 1.00 0.00 O ATOM 722 CB ILE A 47 -2.461 -0.648 2.509 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.153 0.626 2.012 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.554 -1.742 1.456 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.564 1.175 0.731 1.00 0.00 C ATOM 0 H ILE A 47 -4.468 0.410 3.687 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.335 -2.189 3.720 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.412 -0.409 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.211 0.417 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.090 1.390 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.126 -1.383 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.004 -2.620 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.599 -2.007 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.103 2.076 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.513 1.416 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.651 0.429 -0.059 1.00 0.00 H new ATOM 737 N ALA A 48 -2.111 0.116 5.674 1.00 0.00 N ATOM 738 CA ALA A 48 -1.198 0.376 6.770 1.00 0.00 C ATOM 739 C ALA A 48 -1.607 -0.414 8.003 1.00 0.00 C ATOM 740 O ALA A 48 -0.772 -0.755 8.840 1.00 0.00 O ATOM 741 CB ALA A 48 -1.140 1.865 7.077 1.00 0.00 C ATOM 0 H ALA A 48 -2.800 0.851 5.515 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.201 0.052 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.450 2.040 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.796 2.405 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.133 2.218 7.354 1.00 0.00 H new ATOM 747 N ARG A 49 -2.895 -0.718 8.102 1.00 0.00 N ATOM 748 CA ARG A 49 -3.404 -1.486 9.224 1.00 0.00 C ATOM 749 C ARG A 49 -2.955 -2.934 9.108 1.00 0.00 C ATOM 750 O ARG A 49 -2.791 -3.630 10.110 1.00 0.00 O ATOM 751 CB ARG A 49 -4.931 -1.405 9.288 1.00 0.00 C ATOM 752 CG ARG A 49 -5.536 -2.208 10.428 1.00 0.00 C ATOM 753 CD ARG A 49 -6.774 -1.529 10.991 1.00 0.00 C ATOM 754 NE ARG A 49 -6.438 -0.529 12.002 1.00 0.00 N ATOM 755 CZ ARG A 49 -7.339 0.223 12.630 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.631 0.091 12.355 1.00 0.00 N ATOM 757 NH2 ARG A 49 -6.948 1.108 13.537 1.00 0.00 N ATOM 0 H ARG A 49 -3.602 -0.444 7.420 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.003 -1.063 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.227 -0.361 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.345 -1.760 8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.796 -3.206 10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.797 -2.333 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.327 -1.054 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.432 -2.280 11.428 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.455 -0.400 12.241 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.937 -0.589 11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.317 0.670 12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.957 1.212 13.753 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.639 1.684 14.018 1.00 0.00 H new ATOM 771 N TYR A 50 -2.744 -3.375 7.874 1.00 0.00 N ATOM 772 CA TYR A 50 -2.297 -4.733 7.617 1.00 0.00 C ATOM 773 C TYR A 50 -0.869 -4.919 8.083 1.00 0.00 C ATOM 774 O TYR A 50 -0.562 -5.825 8.858 1.00 0.00 O ATOM 775 CB TYR A 50 -2.396 -5.055 6.137 1.00 0.00 C ATOM 776 CG TYR A 50 -2.450 -6.536 5.846 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.289 -7.297 5.831 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.657 -7.174 5.590 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.328 -8.652 5.570 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.705 -8.530 5.327 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.537 -9.264 5.318 1.00 0.00 C ATOM 782 OH TYR A 50 -2.580 -10.615 5.057 1.00 0.00 O ATOM 0 H TYR A 50 -2.876 -2.809 7.036 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.943 -5.413 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.288 -4.580 5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.539 -4.622 5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.340 -6.821 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.573 -6.601 5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.416 -9.230 5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.651 -9.012 5.130 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.391 -10.771 4.108 1.00 0.00 H new ATOM 792 N ILE A 51 -0.002 -4.046 7.604 1.00 0.00 N ATOM 793 CA ILE A 51 1.404 -4.096 7.966 1.00 0.00 C ATOM 794 C ILE A 51 1.581 -3.881 9.461 1.00 0.00 C ATOM 795 O ILE A 51 2.507 -4.414 10.074 1.00 0.00 O ATOM 796 CB ILE A 51 2.250 -3.058 7.195 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.388 -1.902 6.677 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.985 -3.729 6.044 1.00 0.00 C ATOM 799 CD1 ILE A 51 2.175 -0.639 6.400 1.00 0.00 C ATOM 0 H ILE A 51 -0.247 -3.292 6.962 1.00 0.00 H new ATOM 0 HA ILE A 51 1.760 -5.089 7.691 1.00 0.00 H new ATOM 0 HB ILE A 51 2.980 -2.641 7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.886 -2.216 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.610 -1.683 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.577 -2.987 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.643 -4.505 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.262 -4.177 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.501 0.137 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.656 -0.301 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.935 -0.842 5.646 1.00 0.00 H new ATOM 811 N LYS A 52 0.679 -3.105 10.044 1.00 0.00 N ATOM 812 CA LYS A 52 0.722 -2.824 11.470 1.00 0.00 C ATOM 813 C LYS A 52 0.311 -4.052 12.273 1.00 0.00 C ATOM 814 O LYS A 52 0.715 -4.221 13.423 1.00 0.00 O ATOM 815 CB LYS A 52 -0.192 -1.645 11.811 1.00 0.00 C ATOM 816 CG LYS A 52 0.228 -0.891 13.062 1.00 0.00 C ATOM 817 CD LYS A 52 0.005 -1.723 14.314 1.00 0.00 C ATOM 818 CE LYS A 52 -0.337 -0.849 15.510 1.00 0.00 C ATOM 819 NZ LYS A 52 0.863 -0.548 16.339 1.00 0.00 N ATOM 0 H LYS A 52 -0.093 -2.658 9.549 1.00 0.00 H new ATOM 0 HA LYS A 52 1.747 -2.563 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.209 -0.954 10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.210 -2.012 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.281 -0.618 12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.338 0.038 13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.802 -2.435 14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.902 -2.304 14.531 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.782 0.084 15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.086 -1.350 16.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.588 0.050 17.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.273 -1.436 16.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.568 -0.047 15.761 1.00 0.00 H new ATOM 833 N LEU A 53 -0.495 -4.908 11.657 1.00 0.00 N ATOM 834 CA LEU A 53 -0.966 -6.121 12.305 1.00 0.00 C ATOM 835 C LEU A 53 0.012 -7.277 12.098 1.00 0.00 C ATOM 836 O LEU A 53 -0.037 -8.278 12.813 1.00 0.00 O ATOM 837 CB LEU A 53 -2.348 -6.503 11.767 1.00 0.00 C ATOM 838 CG LEU A 53 -3.479 -6.461 12.798 1.00 0.00 C ATOM 839 CD1 LEU A 53 -4.629 -5.602 12.296 1.00 0.00 C ATOM 840 CD2 LEU A 53 -3.964 -7.868 13.116 1.00 0.00 C ATOM 0 H LEU A 53 -0.836 -4.781 10.704 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.037 -5.924 13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.600 -5.831 10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.294 -7.509 11.351 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.091 -6.015 13.714 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.423 -5.585 13.043 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.275 -4.586 12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.015 -6.018 11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.768 -7.818 13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.333 -8.340 12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.139 -8.455 13.520 1.00 0.00 H new ATOM 852 N ARG A 54 0.892 -7.138 11.111 1.00 0.00 N ATOM 853 CA ARG A 54 1.871 -8.177 10.806 1.00 0.00 C ATOM 854 C ARG A 54 2.774 -8.460 11.998 1.00 0.00 C ATOM 855 O ARG A 54 3.100 -9.613 12.285 1.00 0.00 O ATOM 856 CB ARG A 54 2.712 -7.775 9.593 1.00 0.00 C ATOM 857 CG ARG A 54 2.871 -8.887 8.569 1.00 0.00 C ATOM 858 CD ARG A 54 3.884 -9.925 9.026 1.00 0.00 C ATOM 859 NE ARG A 54 3.239 -11.099 9.609 1.00 0.00 N ATOM 860 CZ ARG A 54 2.460 -11.934 8.925 1.00 0.00 C ATOM 861 NH1 ARG A 54 2.227 -11.728 7.634 1.00 0.00 N ATOM 862 NH2 ARG A 54 1.913 -12.978 9.532 1.00 0.00 N ATOM 0 H ARG A 54 0.948 -6.317 10.509 1.00 0.00 H new ATOM 0 HA ARG A 54 1.324 -9.091 10.575 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.252 -6.912 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.699 -7.461 9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.907 -9.367 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.188 -8.463 7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.497 -10.231 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.555 -9.478 9.760 1.00 0.00 H new ATOM 0 HE ARG A 54 3.395 -11.290 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.646 -10.927 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.629 -12.371 7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.089 -13.141 10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.316 -13.618 9.008 1.00 0.00 H new ATOM 876 N THR A 55 3.178 -7.405 12.686 1.00 0.00 N ATOM 877 CA THR A 55 4.048 -7.539 13.846 1.00 0.00 C ATOM 878 C THR A 55 4.042 -6.273 14.700 1.00 0.00 C ATOM 879 O THR A 55 5.022 -5.972 15.381 1.00 0.00 O ATOM 880 CB THR A 55 5.474 -7.862 13.400 1.00 0.00 C ATOM 881 OG1 THR A 55 6.300 -8.136 14.518 1.00 0.00 O ATOM 882 CG2 THR A 55 6.125 -6.746 12.611 1.00 0.00 C ATOM 0 H THR A 55 2.918 -6.444 12.462 1.00 0.00 H new ATOM 0 HA THR A 55 3.666 -8.357 14.456 1.00 0.00 H new ATOM 0 HB THR A 55 5.381 -8.735 12.753 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.128 -7.476 15.222 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.135 -7.042 12.327 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.539 -6.545 11.714 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.170 -5.846 13.224 1.00 0.00 H new ATOM 890 N GLY A 56 2.936 -5.537 14.663 1.00 0.00 N ATOM 891 CA GLY A 56 2.832 -4.317 15.444 1.00 0.00 C ATOM 892 C GLY A 56 3.913 -3.307 15.107 1.00 0.00 C ATOM 893 O GLY A 56 4.165 -2.380 15.878 1.00 0.00 O ATOM 0 H GLY A 56 2.111 -5.763 14.107 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.854 -3.866 15.275 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.890 -4.564 16.504 1.00 0.00 H new ATOM 897 N LYS A 57 4.554 -3.482 13.957 1.00 0.00 N ATOM 898 CA LYS A 57 5.610 -2.580 13.526 1.00 0.00 C ATOM 899 C LYS A 57 5.027 -1.322 12.892 1.00 0.00 C ATOM 900 O LYS A 57 3.817 -1.101 12.927 1.00 0.00 O ATOM 901 CB LYS A 57 6.540 -3.284 12.540 1.00 0.00 C ATOM 902 CG LYS A 57 7.967 -3.423 13.043 1.00 0.00 C ATOM 903 CD LYS A 57 8.776 -4.371 12.172 1.00 0.00 C ATOM 904 CE LYS A 57 9.704 -5.239 13.006 1.00 0.00 C ATOM 905 NZ LYS A 57 10.981 -5.527 12.297 1.00 0.00 N ATOM 0 H LYS A 57 4.359 -4.243 13.306 1.00 0.00 H new ATOM 0 HA LYS A 57 6.184 -2.286 14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.142 -4.275 12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.547 -2.730 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.445 -2.444 13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.958 -3.789 14.070 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.100 -5.006 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.361 -3.797 11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.918 -4.739 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.204 -6.177 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.196 -6.542 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.890 -5.261 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.751 -4.979 12.732 1.00 0.00 H new ATOM 919 N THR A 58 5.896 -0.500 12.311 1.00 0.00 N ATOM 920 CA THR A 58 5.463 0.735 11.666 1.00 0.00 C ATOM 921 C THR A 58 4.432 0.445 10.579 1.00 0.00 C ATOM 922 O THR A 58 4.209 -0.710 10.216 1.00 0.00 O ATOM 923 CB THR A 58 6.664 1.474 11.069 1.00 0.00 C ATOM 924 OG1 THR A 58 6.288 2.767 10.629 1.00 0.00 O ATOM 925 CG2 THR A 58 7.292 0.755 9.895 1.00 0.00 C ATOM 0 H THR A 58 6.902 -0.666 12.274 1.00 0.00 H new ATOM 0 HA THR A 58 4.999 1.369 12.422 1.00 0.00 H new ATOM 0 HB THR A 58 7.397 1.526 11.874 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.069 3.224 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.136 1.335 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.639 -0.228 10.214 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.553 0.639 9.102 1.00 0.00 H new ATOM 933 N ARG A 59 3.815 1.498 10.056 1.00 0.00 N ATOM 934 CA ARG A 59 2.825 1.357 9.008 1.00 0.00 C ATOM 935 C ARG A 59 2.730 2.641 8.198 1.00 0.00 C ATOM 936 O ARG A 59 1.715 3.337 8.223 1.00 0.00 O ATOM 937 CB ARG A 59 1.460 1.003 9.604 1.00 0.00 C ATOM 938 CG ARG A 59 0.970 2.004 10.637 1.00 0.00 C ATOM 939 CD ARG A 59 -0.546 2.114 10.631 1.00 0.00 C ATOM 940 NE ARG A 59 -1.072 2.502 11.938 1.00 0.00 N ATOM 941 CZ ARG A 59 -2.292 2.998 12.128 1.00 0.00 C ATOM 942 NH1 ARG A 59 -3.115 3.169 11.100 1.00 0.00 N ATOM 943 NH2 ARG A 59 -2.692 3.324 13.349 1.00 0.00 N ATOM 0 H ARG A 59 3.987 2.461 10.346 1.00 0.00 H new ATOM 0 HA ARG A 59 3.133 0.547 8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.728 0.936 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.519 0.017 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.310 1.702 11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.408 2.981 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.853 2.846 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.978 1.158 10.336 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.469 2.386 12.752 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.813 2.920 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.049 3.550 11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.065 3.195 14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.627 3.704 13.495 1.00 0.00 H new ATOM 957 N THR A 60 3.800 2.942 7.478 1.00 0.00 N ATOM 958 CA THR A 60 3.856 4.140 6.650 1.00 0.00 C ATOM 959 C THR A 60 2.723 4.143 5.627 1.00 0.00 C ATOM 960 O THR A 60 2.251 3.086 5.208 1.00 0.00 O ATOM 961 CB THR A 60 5.207 4.230 5.937 1.00 0.00 C ATOM 962 OG1 THR A 60 5.880 2.984 5.975 1.00 0.00 O ATOM 963 CG2 THR A 60 6.131 5.268 6.538 1.00 0.00 C ATOM 0 H THR A 60 4.645 2.371 7.450 1.00 0.00 H new ATOM 0 HA THR A 60 3.739 5.009 7.298 1.00 0.00 H new ATOM 0 HB THR A 60 4.974 4.521 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.740 3.063 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.071 5.281 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.662 6.250 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.326 5.021 7.582 1.00 0.00 H new ATOM 971 N ARG A 61 2.287 5.335 5.229 1.00 0.00 N ATOM 972 CA ARG A 61 1.213 5.469 4.261 1.00 0.00 C ATOM 973 C ARG A 61 1.735 5.999 2.934 1.00 0.00 C ATOM 974 O ARG A 61 1.247 5.628 1.866 1.00 0.00 O ATOM 975 CB ARG A 61 0.116 6.388 4.800 1.00 0.00 C ATOM 976 CG ARG A 61 0.649 7.654 5.453 1.00 0.00 C ATOM 977 CD ARG A 61 0.623 7.554 6.970 1.00 0.00 C ATOM 978 NE ARG A 61 1.941 7.247 7.521 1.00 0.00 N ATOM 979 CZ ARG A 61 2.907 8.149 7.680 1.00 0.00 C ATOM 980 NH1 ARG A 61 2.707 9.414 7.331 1.00 0.00 N ATOM 981 NH2 ARG A 61 4.076 7.786 8.190 1.00 0.00 N ATOM 0 H ARG A 61 2.665 6.221 5.565 1.00 0.00 H new ATOM 0 HA ARG A 61 0.791 4.479 4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.550 6.664 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.482 5.838 5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.670 7.835 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.052 8.508 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.265 8.494 7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.085 6.781 7.270 1.00 0.00 H new ATOM 0 HE ARG A 61 2.132 6.285 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.810 9.699 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.451 10.101 7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.235 6.815 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.816 8.477 8.312 1.00 0.00 H new ATOM 995 N LYS A 62 2.731 6.866 3.013 1.00 0.00 N ATOM 996 CA LYS A 62 3.329 7.451 1.823 1.00 0.00 C ATOM 997 C LYS A 62 4.150 6.417 1.066 1.00 0.00 C ATOM 998 O LYS A 62 4.284 6.486 -0.156 1.00 0.00 O ATOM 999 CB LYS A 62 4.201 8.647 2.200 1.00 0.00 C ATOM 1000 CG LYS A 62 3.782 9.942 1.524 1.00 0.00 C ATOM 1001 CD LYS A 62 4.528 10.155 0.217 1.00 0.00 C ATOM 1002 CE LYS A 62 4.491 11.611 -0.216 1.00 0.00 C ATOM 1003 NZ LYS A 62 5.701 11.991 -0.995 1.00 0.00 N ATOM 0 H LYS A 62 3.144 7.181 3.891 1.00 0.00 H new ATOM 0 HA LYS A 62 2.526 7.794 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.168 8.784 3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.236 8.428 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.709 9.923 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.972 10.781 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.564 9.835 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.086 9.532 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.601 11.787 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.411 12.249 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.636 12.992 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.549 11.847 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.764 11.400 -1.848 1.00 0.00 H new ATOM 1017 N GLN A 63 4.691 5.457 1.801 1.00 0.00 N ATOM 1018 CA GLN A 63 5.492 4.401 1.206 1.00 0.00 C ATOM 1019 C GLN A 63 4.612 3.416 0.448 1.00 0.00 C ATOM 1020 O GLN A 63 5.063 2.755 -0.487 1.00 0.00 O ATOM 1021 CB GLN A 63 6.298 3.673 2.280 1.00 0.00 C ATOM 1022 CG GLN A 63 7.802 3.783 2.091 1.00 0.00 C ATOM 1023 CD GLN A 63 8.305 2.955 0.924 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.563 2.673 -0.017 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.571 2.560 0.981 1.00 0.00 N ATOM 0 H GLN A 63 4.589 5.389 2.814 1.00 0.00 H new ATOM 0 HA GLN A 63 6.184 4.857 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.033 4.076 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.017 2.620 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.069 4.828 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.304 3.461 3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.150 2.817 1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.965 2.000 0.225 1.00 0.00 H new ATOM 1034 N VAL A 64 3.353 3.323 0.859 1.00 0.00 N ATOM 1035 CA VAL A 64 2.408 2.420 0.220 1.00 0.00 C ATOM 1036 C VAL A 64 1.889 2.998 -1.090 1.00 0.00 C ATOM 1037 O VAL A 64 1.383 2.267 -1.938 1.00 0.00 O ATOM 1038 CB VAL A 64 1.206 2.095 1.131 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.524 0.817 0.669 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.636 1.982 2.588 1.00 0.00 C ATOM 0 H VAL A 64 2.964 3.863 1.632 1.00 0.00 H new ATOM 0 HA VAL A 64 2.957 1.499 0.022 1.00 0.00 H new ATOM 0 HB VAL A 64 0.492 2.915 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.322 0.600 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.171 0.943 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.234 -0.009 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.768 1.752 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.374 1.186 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.073 2.926 2.913 1.00 0.00 H new ATOM 1050 N SER A 65 2.024 4.310 -1.256 1.00 0.00 N ATOM 1051 CA SER A 65 1.575 4.969 -2.471 1.00 0.00 C ATOM 1052 C SER A 65 2.642 4.857 -3.547 1.00 0.00 C ATOM 1053 O SER A 65 2.347 4.874 -4.742 1.00 0.00 O ATOM 1054 CB SER A 65 1.248 6.438 -2.198 1.00 0.00 C ATOM 1055 OG SER A 65 0.692 7.059 -3.344 1.00 0.00 O ATOM 0 H SER A 65 2.440 4.934 -0.565 1.00 0.00 H new ATOM 0 HA SER A 65 0.668 4.476 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.547 6.509 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.153 6.966 -1.898 1.00 0.00 H new ATOM 0 HG SER A 65 0.491 7.997 -3.143 1.00 0.00 H new ATOM 1061 N SER A 66 3.883 4.729 -3.104 1.00 0.00 N ATOM 1062 CA SER A 66 5.010 4.596 -4.002 1.00 0.00 C ATOM 1063 C SER A 66 4.978 3.243 -4.692 1.00 0.00 C ATOM 1064 O SER A 66 5.344 3.113 -5.860 1.00 0.00 O ATOM 1065 CB SER A 66 6.306 4.755 -3.225 1.00 0.00 C ATOM 1066 OG SER A 66 7.244 5.540 -3.940 1.00 0.00 O ATOM 0 H SER A 66 4.133 4.715 -2.115 1.00 0.00 H new ATOM 0 HA SER A 66 4.950 5.375 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.099 5.220 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.732 3.773 -3.020 1.00 0.00 H new ATOM 0 HG SER A 66 8.067 5.626 -3.414 1.00 0.00 H new ATOM 1072 N HIS A 67 4.534 2.239 -3.952 1.00 0.00 N ATOM 1073 CA HIS A 67 4.445 0.881 -4.473 1.00 0.00 C ATOM 1074 C HIS A 67 3.420 0.789 -5.590 1.00 0.00 C ATOM 1075 O HIS A 67 3.665 0.173 -6.627 1.00 0.00 O ATOM 1076 CB HIS A 67 4.083 -0.097 -3.356 1.00 0.00 C ATOM 1077 CG HIS A 67 5.001 -0.027 -2.177 1.00 0.00 C ATOM 1078 ND1 HIS A 67 4.744 -0.108 -0.851 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.364 0.150 -2.292 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 5.944 0.019 -0.196 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 6.906 0.172 -1.087 1.00 0.00 N flip ATOM 0 H HIS A 67 4.228 2.338 -2.984 1.00 0.00 H new ATOM 0 HA HIS A 67 5.421 0.615 -4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.064 0.104 -3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.094 -1.111 -3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.904 0.254 -3.222 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.079 -0.003 0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.898 0.287 -0.881 1.00 0.00 H new ATOM 1090 N ILE A 68 2.273 1.406 -5.370 1.00 0.00 N ATOM 1091 CA ILE A 68 1.205 1.395 -6.362 1.00 0.00 C ATOM 1092 C ILE A 68 1.595 2.225 -7.578 1.00 0.00 C ATOM 1093 O ILE A 68 1.124 1.980 -8.689 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.147 1.909 -5.804 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.020 2.560 -4.430 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.147 0.766 -5.719 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.248 3.190 -3.900 1.00 0.00 C ATOM 0 H ILE A 68 2.054 1.920 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 68 1.067 0.352 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.521 2.668 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.366 1.808 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.797 3.322 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.093 1.139 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.307 0.348 -6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.759 -0.008 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.054 3.632 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.584 3.965 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.021 2.428 -3.806 1.00 0.00 H new ATOM 1109 N GLN A 69 2.466 3.202 -7.360 1.00 0.00 N ATOM 1110 CA GLN A 69 2.930 4.064 -8.435 1.00 0.00 C ATOM 1111 C GLN A 69 3.922 3.328 -9.324 1.00 0.00 C ATOM 1112 O GLN A 69 4.005 3.584 -10.525 1.00 0.00 O ATOM 1113 CB GLN A 69 3.570 5.331 -7.866 1.00 0.00 C ATOM 1114 CG GLN A 69 2.564 6.320 -7.300 1.00 0.00 C ATOM 1115 CD GLN A 69 2.310 7.490 -8.229 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.517 7.393 -9.439 1.00 0.00 O ATOM 1117 NE2 GLN A 69 1.857 8.605 -7.667 1.00 0.00 N ATOM 0 H GLN A 69 2.865 3.416 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 69 2.069 4.348 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.273 5.052 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.146 5.821 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.623 5.805 -7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.927 6.693 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.700 8.641 -6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.666 9.425 -8.243 1.00 0.00 H new ATOM 1126 N VAL A 70 4.666 2.407 -8.727 1.00 0.00 N ATOM 1127 CA VAL A 70 5.647 1.626 -9.464 1.00 0.00 C ATOM 1128 C VAL A 70 4.964 0.615 -10.371 1.00 0.00 C ATOM 1129 O VAL A 70 5.489 0.250 -11.423 1.00 0.00 O ATOM 1130 CB VAL A 70 6.611 0.893 -8.527 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.746 0.258 -9.316 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.149 1.836 -7.459 1.00 0.00 C ATOM 0 H VAL A 70 4.608 2.183 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 70 6.220 2.329 -10.069 1.00 0.00 H new ATOM 0 HB VAL A 70 6.061 0.097 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.420 -0.258 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.337 -0.456 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.295 1.033 -9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.832 1.293 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.681 2.660 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.320 2.231 -6.871 1.00 0.00 H new ATOM 1142 N LEU A 71 3.785 0.172 -9.957 1.00 0.00 N ATOM 1143 CA LEU A 71 3.017 -0.791 -10.730 1.00 0.00 C ATOM 1144 C LEU A 71 2.460 -0.146 -11.992 1.00 0.00 C ATOM 1145 O LEU A 71 2.240 -0.815 -13.002 1.00 0.00 O ATOM 1146 CB LEU A 71 1.883 -1.369 -9.885 1.00 0.00 C ATOM 1147 CG LEU A 71 1.958 -2.878 -9.647 1.00 0.00 C ATOM 1148 CD1 LEU A 71 2.897 -3.190 -8.492 1.00 0.00 C ATOM 1149 CD2 LEU A 71 0.571 -3.443 -9.377 1.00 0.00 C ATOM 0 H LEU A 71 3.340 0.466 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 71 3.682 -1.603 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.876 -0.864 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.935 -1.140 -10.371 1.00 0.00 H new ATOM 0 HG LEU A 71 2.353 -3.350 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.938 -4.268 -8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.895 -2.819 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.532 -2.707 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.642 -4.518 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.149 -2.965 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.073 -3.251 -10.235 1.00 0.00 H new ATOM 1161 N ALA A 72 2.238 1.161 -11.926 1.00 0.00 N ATOM 1162 CA ALA A 72 1.711 1.905 -13.060 1.00 0.00 C ATOM 1163 C ALA A 72 2.750 2.024 -14.166 1.00 0.00 C ATOM 1164 O ALA A 72 2.411 2.105 -15.347 1.00 0.00 O ATOM 1165 CB ALA A 72 1.242 3.283 -12.618 1.00 0.00 C ATOM 0 H ALA A 72 2.416 1.727 -11.097 1.00 0.00 H new ATOM 0 HA ALA A 72 0.857 1.357 -13.458 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.851 3.827 -13.478 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.458 3.177 -11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.081 3.833 -12.191 1.00 0.00 H new ATOM 1171 N ARG A 73 4.017 2.033 -13.774 1.00 0.00 N ATOM 1172 CA ARG A 73 5.111 2.139 -14.728 1.00 0.00 C ATOM 1173 C ARG A 73 5.260 0.851 -15.527 1.00 0.00 C ATOM 1174 O ARG A 73 5.690 0.867 -16.680 1.00 0.00 O ATOM 1175 CB ARG A 73 6.420 2.465 -14.007 1.00 0.00 C ATOM 1176 CG ARG A 73 6.635 3.952 -13.779 1.00 0.00 C ATOM 1177 CD ARG A 73 8.111 4.285 -13.634 1.00 0.00 C ATOM 1178 NE ARG A 73 8.446 5.566 -14.252 1.00 0.00 N ATOM 1179 CZ ARG A 73 8.521 5.757 -15.567 1.00 0.00 C ATOM 1180 NH1 ARG A 73 8.285 4.755 -16.405 1.00 0.00 N ATOM 1181 NH2 ARG A 73 8.833 6.954 -16.046 1.00 0.00 N ATOM 0 H ARG A 73 4.312 1.968 -12.800 1.00 0.00 H new ATOM 0 HA ARG A 73 4.879 2.949 -15.420 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.432 1.953 -13.045 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.253 2.071 -14.589 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.214 4.514 -14.613 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.100 4.265 -12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.374 4.313 -12.577 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.707 3.495 -14.091 1.00 0.00 H new ATOM 0 HE ARG A 73 8.633 6.360 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.045 3.833 -16.042 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.344 4.908 -17.412 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.015 7.728 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.891 7.101 -17.054 1.00 0.00 H new ATOM 1195 N ARG A 74 4.897 -0.261 -14.904 1.00 0.00 N ATOM 1196 CA ARG A 74 4.983 -1.562 -15.550 1.00 0.00 C ATOM 1197 C ARG A 74 3.911 -1.705 -16.623 1.00 0.00 C ATOM 1198 O ARG A 74 4.081 -2.443 -17.593 1.00 0.00 O ATOM 1199 CB ARG A 74 4.843 -2.681 -14.516 1.00 0.00 C ATOM 1200 CG ARG A 74 6.029 -2.789 -13.572 1.00 0.00 C ATOM 1201 CD ARG A 74 7.142 -3.634 -14.171 1.00 0.00 C ATOM 1202 NE ARG A 74 8.043 -4.158 -13.147 1.00 0.00 N ATOM 1203 CZ ARG A 74 7.712 -5.122 -12.291 1.00 0.00 C ATOM 1204 NH1 ARG A 74 6.504 -5.670 -12.332 1.00 0.00 N ATOM 1205 NH2 ARG A 74 8.592 -5.540 -11.391 1.00 0.00 N ATOM 0 H ARG A 74 4.539 -0.288 -13.949 1.00 0.00 H new ATOM 0 HA ARG A 74 5.961 -1.641 -16.025 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.938 -2.513 -13.932 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.715 -3.631 -15.036 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.408 -1.792 -13.347 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.705 -3.228 -12.628 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.707 -4.463 -14.730 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.711 -3.034 -14.881 1.00 0.00 H new ATOM 0 HE ARG A 74 8.981 -3.762 -13.084 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.823 -5.353 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.256 -6.408 -11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.522 -5.123 -11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.339 -6.279 -10.735 1.00 0.00 H new ATOM 1219 N LYS A 75 2.808 -0.991 -16.439 1.00 0.00 N ATOM 1220 CA LYS A 75 1.703 -1.031 -17.385 1.00 0.00 C ATOM 1221 C LYS A 75 2.033 -0.243 -18.648 1.00 0.00 C ATOM 1222 O LYS A 75 1.461 -0.486 -19.711 1.00 0.00 O ATOM 1223 CB LYS A 75 0.430 -0.478 -16.740 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.428 -1.543 -16.078 1.00 0.00 C ATOM 1225 CD LYS A 75 -1.366 -0.940 -15.045 1.00 0.00 C ATOM 1226 CE LYS A 75 -0.801 -1.066 -13.639 1.00 0.00 C ATOM 1227 NZ LYS A 75 -1.769 -0.600 -12.608 1.00 0.00 N ATOM 0 H LYS A 75 2.656 -0.375 -15.640 1.00 0.00 H new ATOM 0 HA LYS A 75 1.538 -2.071 -17.664 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.705 0.270 -15.996 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.161 0.032 -17.501 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.009 -2.067 -16.837 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.214 -2.283 -15.600 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.537 0.111 -15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.334 -1.439 -15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.537 -2.106 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.118 -0.485 -13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.346 -0.702 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.002 0.399 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.636 -1.171 -12.663 1.00 0.00 H new ATOM 1241 N SER A 76 2.958 0.702 -18.526 1.00 0.00 N ATOM 1242 CA SER A 76 3.363 1.525 -19.660 1.00 0.00 C ATOM 1243 C SER A 76 3.956 0.672 -20.778 1.00 0.00 C ATOM 1244 O SER A 76 4.023 1.102 -21.929 1.00 0.00 O ATOM 1245 CB SER A 76 4.376 2.582 -19.216 1.00 0.00 C ATOM 1246 OG SER A 76 3.723 3.731 -18.704 1.00 0.00 O ATOM 0 H SER A 76 3.441 0.917 -17.654 1.00 0.00 H new ATOM 0 HA SER A 76 2.473 2.023 -20.046 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.033 2.163 -18.454 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.006 2.864 -20.060 1.00 0.00 H new ATOM 0 HG SER A 76 4.392 4.391 -18.426 1.00 0.00 H new ATOM 1252 N ARG A 77 4.380 -0.539 -20.434 1.00 0.00 N ATOM 1253 CA ARG A 77 4.960 -1.450 -21.412 1.00 0.00 C ATOM 1254 C ARG A 77 3.934 -1.844 -22.474 1.00 0.00 C ATOM 1255 O ARG A 77 4.292 -2.384 -23.521 1.00 0.00 O ATOM 1256 CB ARG A 77 5.496 -2.703 -20.716 1.00 0.00 C ATOM 1257 CG ARG A 77 6.931 -2.564 -20.234 1.00 0.00 C ATOM 1258 CD ARG A 77 7.661 -3.897 -20.265 1.00 0.00 C ATOM 1259 NE ARG A 77 7.699 -4.531 -18.950 1.00 0.00 N ATOM 1260 CZ ARG A 77 8.459 -4.104 -17.943 1.00 0.00 C ATOM 1261 NH1 ARG A 77 9.243 -3.045 -18.097 1.00 0.00 N ATOM 1262 NH2 ARG A 77 8.434 -4.739 -16.779 1.00 0.00 N ATOM 0 H ARG A 77 4.333 -0.912 -19.486 1.00 0.00 H new ATOM 0 HA ARG A 77 5.783 -0.933 -21.906 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.857 -2.937 -19.865 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.433 -3.546 -21.404 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.458 -1.845 -20.861 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.938 -2.168 -19.219 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.170 -4.563 -20.974 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.679 -3.745 -20.623 1.00 0.00 H new ATOM 0 HE ARG A 77 7.109 -5.348 -18.794 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.266 -2.553 -18.990 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.823 -2.723 -17.322 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.833 -5.554 -16.655 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.016 -4.413 -16.007 1.00 0.00 H new ATOM 1276 N ASP A 78 2.659 -1.575 -22.201 1.00 0.00 N ATOM 1277 CA ASP A 78 1.591 -1.906 -23.138 1.00 0.00 C ATOM 1278 C ASP A 78 1.803 -1.218 -24.484 1.00 0.00 C ATOM 1279 O ASP A 78 1.265 -1.651 -25.503 1.00 0.00 O ATOM 1280 CB ASP A 78 0.235 -1.515 -22.555 1.00 0.00 C ATOM 1281 CG ASP A 78 -0.676 -2.710 -22.353 1.00 0.00 C ATOM 1282 OD1 ASP A 78 -1.411 -3.063 -23.300 1.00 0.00 O ATOM 1283 OD2 ASP A 78 -0.655 -3.293 -21.249 1.00 0.00 O ATOM 0 H ASP A 78 2.342 -1.130 -21.340 1.00 0.00 H new ATOM 0 HA ASP A 78 1.611 -2.983 -23.302 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.385 -1.011 -21.600 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.250 -0.800 -23.220 1.00 0.00 H new ATOM 1288 N LEU A 79 2.586 -0.146 -24.480 1.00 0.00 N ATOM 1289 CA LEU A 79 2.866 0.601 -25.701 1.00 0.00 C ATOM 1290 C LEU A 79 3.600 -0.270 -26.716 1.00 0.00 C ATOM 1291 O LEU A 79 4.827 -0.227 -26.814 1.00 0.00 O ATOM 1292 CB LEU A 79 3.698 1.845 -25.384 1.00 0.00 C ATOM 1293 CG LEU A 79 3.403 3.062 -26.262 1.00 0.00 C ATOM 1294 CD1 LEU A 79 3.609 4.349 -25.477 1.00 0.00 C ATOM 1295 CD2 LEU A 79 4.279 3.047 -27.505 1.00 0.00 C ATOM 0 H LEU A 79 3.039 0.226 -23.645 1.00 0.00 H new ATOM 0 HA LEU A 79 1.914 0.909 -26.134 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.532 2.119 -24.342 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.754 1.592 -25.483 1.00 0.00 H new ATOM 0 HG LEU A 79 2.360 3.016 -26.576 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.395 5.204 -26.118 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.939 4.362 -24.618 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.642 4.404 -25.132 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.056 3.920 -28.118 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.328 3.069 -27.211 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.082 2.141 -28.078 1.00 0.00 H new ATOM 1307 N VAL A 80 2.842 -1.061 -27.468 1.00 0.00 N ATOM 1308 CA VAL A 80 3.419 -1.941 -28.475 1.00 0.00 C ATOM 1309 C VAL A 80 4.124 -1.138 -29.568 1.00 0.00 C ATOM 1310 O VAL A 80 3.601 -0.130 -30.041 1.00 0.00 O ATOM 1311 CB VAL A 80 2.342 -2.837 -29.119 1.00 0.00 C ATOM 1312 CG1 VAL A 80 1.288 -1.992 -29.818 1.00 0.00 C ATOM 1313 CG2 VAL A 80 2.974 -3.825 -30.090 1.00 0.00 C ATOM 0 H VAL A 80 1.826 -1.110 -27.398 1.00 0.00 H new ATOM 0 HA VAL A 80 4.148 -2.572 -27.967 1.00 0.00 H new ATOM 0 HB VAL A 80 1.852 -3.405 -28.328 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.538 -2.644 -30.266 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.810 -1.333 -29.093 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.760 -1.393 -30.597 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.197 -4.447 -30.533 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.495 -3.279 -30.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.684 -4.457 -29.556 1.00 0.00 H new ATOM 1323 N PRO A 81 5.327 -1.575 -29.986 1.00 0.00 N ATOM 1324 CA PRO A 81 6.096 -0.887 -31.029 1.00 0.00 C ATOM 1325 C PRO A 81 5.425 -0.968 -32.395 1.00 0.00 C ATOM 1326 O PRO A 81 5.529 -1.978 -33.090 1.00 0.00 O ATOM 1327 CB PRO A 81 7.431 -1.632 -31.044 1.00 0.00 C ATOM 1328 CG PRO A 81 7.114 -2.978 -30.500 1.00 0.00 C ATOM 1329 CD PRO A 81 6.030 -2.767 -29.482 1.00 0.00 C ATOM 0 HA PRO A 81 6.192 0.179 -30.823 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.837 -1.698 -32.053 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.176 -1.123 -30.433 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.781 -3.650 -31.291 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.994 -3.432 -30.045 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.366 -3.629 -29.416 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.439 -2.602 -28.485 1.00 0.00 H new ATOM 1337 N ARG A 82 4.735 0.103 -32.774 1.00 0.00 N ATOM 1338 CA ARG A 82 4.046 0.153 -34.058 1.00 0.00 C ATOM 1339 C ARG A 82 5.031 -0.014 -35.211 1.00 0.00 C ATOM 1340 O ARG A 82 6.072 0.677 -35.204 1.00 0.00 O ATOM 1341 CB ARG A 82 3.291 1.476 -34.205 1.00 0.00 C ATOM 1342 CG ARG A 82 1.938 1.483 -33.513 1.00 0.00 C ATOM 1343 CD ARG A 82 2.018 2.129 -32.139 1.00 0.00 C ATOM 1344 NE ARG A 82 0.830 2.924 -31.837 1.00 0.00 N ATOM 1345 CZ ARG A 82 0.490 4.028 -32.499 1.00 0.00 C ATOM 1346 NH1 ARG A 82 1.243 4.471 -33.498 1.00 0.00 N ATOM 1347 NH2 ARG A 82 -0.607 4.692 -32.160 1.00 0.00 N ATOM 1348 OXT ARG A 82 4.753 -0.834 -36.111 1.00 0.00 O ATOM 0 H ARG A 82 4.638 0.948 -32.210 1.00 0.00 H new ATOM 0 HA ARG A 82 3.332 -0.670 -34.091 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.903 2.281 -33.798 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.149 1.688 -35.265 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.217 2.021 -34.128 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.573 0.461 -33.415 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.138 1.355 -31.381 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.902 2.765 -32.088 1.00 0.00 H new ATOM 0 HE ARG A 82 0.226 2.615 -31.075 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.088 3.965 -33.763 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.977 5.317 -34.001 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.189 4.357 -31.393 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.868 5.538 -32.667 1.00 0.00 H new TER 1362 ARG A 82