USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 83 SER OG : rot -86:sc= 1.48 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.244 X(o=1.7,f=1.3) USER MOD Set 2.1: A 26 SER OG : rot -54:sc= 1.32 USER MOD Set 2.2: A 67 ASN : amide:sc= 0.923 K(o=2.2,f=0.35) USER MOD Set 3.1: A 24 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0365 (180deg=-0.228) USER MOD Single : A 8 SER OG : rot -38:sc= 0.792 USER MOD Single : A 9 MET CE :methyl -159:sc= -0.205 (180deg=-0.808) USER MOD Single : A 11 THR OG1 : rot 161:sc= 1.34 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 1.69 (180deg=1.56) USER MOD Single : A 23 MET CE :methyl 161:sc= -0.126 (180deg=-0.616) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : +bothHN:sc= -1.74! C(o=-1.7!,f=-2.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -138:sc= -0.363 (180deg=-1.51!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 37 THR OG1 : rot -104:sc= 0.818 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 1.31 (180deg=0.398) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.0482 (180deg=-0.251) USER MOD Single : A 44 TYR OH : rot 120:sc= -0.0554 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 1.22 K(o=1.2,f=-0.11) USER MOD Single : A 71 THR OG1 : rot 80:sc= -0.0268 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.0245 (180deg=-0.219) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 0.059 (180deg=0.0426) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0081 (180deg=-0.147) USER MOD Single : A 91 ASN : amide:sc= 0.856 K(o=0.86,f=-0.55) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 97 THR OG1 : rot -92:sc= 1.28 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 179:sc= -0.0127 (180deg=-0.0172) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 102 GLN :FLIP amide:sc= -2.18! C(o=-5!,f=-2.2!) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= -0.0567 (180deg=-0.423) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 24.415 -1.239 14.460 1.00 0.00 N ATOM 2 CA VAL A 2 23.521 -0.305 13.800 1.00 0.00 C ATOM 3 C VAL A 2 24.325 0.706 12.994 1.00 0.00 C ATOM 4 O VAL A 2 24.765 1.733 13.517 1.00 0.00 O ATOM 5 CB VAL A 2 22.613 0.436 14.809 1.00 0.00 C ATOM 6 CG1 VAL A 2 21.623 1.337 14.084 1.00 0.00 C ATOM 7 CG2 VAL A 2 21.884 -0.560 15.700 1.00 0.00 C ATOM 0 HA VAL A 2 22.879 -0.881 13.134 1.00 0.00 H new ATOM 0 HB VAL A 2 23.242 1.064 15.440 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.995 1.848 14.813 1.00 0.00 H new ATOM 0 HG12 VAL A 2 22.167 2.074 13.494 1.00 0.00 H new ATOM 0 HG13 VAL A 2 20.998 0.734 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 2 21.249 -0.022 16.404 1.00 0.00 H new ATOM 0 HG22 VAL A 2 21.268 -1.216 15.085 1.00 0.00 H new ATOM 0 HG23 VAL A 2 22.612 -1.157 16.250 1.00 0.00 H new ATOM 17 N ASN A 3 24.547 0.385 11.728 1.00 0.00 N ATOM 18 CA ASN A 3 25.279 1.263 10.828 1.00 0.00 C ATOM 19 C ASN A 3 24.387 2.420 10.404 1.00 0.00 C ATOM 20 O ASN A 3 23.356 2.215 9.763 1.00 0.00 O ATOM 21 CB ASN A 3 25.760 0.495 9.590 1.00 0.00 C ATOM 22 CG ASN A 3 26.606 -0.714 9.939 1.00 0.00 C ATOM 23 OD1 ASN A 3 26.088 -1.811 10.139 1.00 0.00 O ATOM 24 ND2 ASN A 3 27.914 -0.522 10.006 1.00 0.00 N ATOM 0 H ASN A 3 24.228 -0.484 11.299 1.00 0.00 H new ATOM 0 HA ASN A 3 26.152 1.650 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 3 24.895 0.172 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 3 26.338 1.166 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 3 28.533 -1.301 10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 3 28.303 0.405 9.833 1.00 0.00 H new ATOM 31 N PHE A 4 24.775 3.631 10.768 1.00 0.00 N ATOM 32 CA PHE A 4 23.961 4.798 10.471 1.00 0.00 C ATOM 33 C PHE A 4 24.610 5.632 9.370 1.00 0.00 C ATOM 34 O PHE A 4 25.226 6.670 9.628 1.00 0.00 O ATOM 35 CB PHE A 4 23.738 5.639 11.734 1.00 0.00 C ATOM 36 CG PHE A 4 22.656 6.674 11.595 1.00 0.00 C ATOM 37 CD1 PHE A 4 21.320 6.315 11.688 1.00 0.00 C ATOM 38 CD2 PHE A 4 22.974 8.006 11.382 1.00 0.00 C ATOM 39 CE1 PHE A 4 20.324 7.264 11.570 1.00 0.00 C ATOM 40 CE2 PHE A 4 21.982 8.958 11.262 1.00 0.00 C ATOM 41 CZ PHE A 4 20.655 8.586 11.358 1.00 0.00 C ATOM 0 H PHE A 4 25.642 3.831 11.266 1.00 0.00 H new ATOM 0 HA PHE A 4 22.988 4.460 10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.487 4.975 12.561 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.672 6.137 11.996 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.055 5.281 11.855 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.010 8.302 11.309 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.287 6.971 11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.243 9.992 11.093 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.877 9.330 11.267 1.00 0.00 H new ATOM 51 N LYS A 5 24.501 5.141 8.147 1.00 0.00 N ATOM 52 CA LYS A 5 25.013 5.846 6.982 1.00 0.00 C ATOM 53 C LYS A 5 23.951 5.837 5.895 1.00 0.00 C ATOM 54 O LYS A 5 23.423 4.783 5.540 1.00 0.00 O ATOM 55 CB LYS A 5 26.318 5.209 6.483 1.00 0.00 C ATOM 56 CG LYS A 5 27.394 5.130 7.557 1.00 0.00 C ATOM 57 CD LYS A 5 28.715 4.610 7.013 1.00 0.00 C ATOM 58 CE LYS A 5 29.386 5.620 6.099 1.00 0.00 C ATOM 59 NZ LYS A 5 30.765 5.204 5.732 1.00 0.00 N ATOM 0 H LYS A 5 24.058 4.248 7.933 1.00 0.00 H new ATOM 0 HA LYS A 5 25.242 6.876 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 5 26.107 4.205 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 5 26.697 5.786 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 5 27.546 6.119 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 5 27.054 4.479 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 5 29.381 4.372 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 5 28.543 3.683 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 5 28.791 5.743 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 5 29.419 6.591 6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 31.189 5.920 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 31.340 5.111 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 30.732 4.289 5.238 1.00 0.00 H new ATOM 73 N ASP A 6 23.632 7.011 5.379 1.00 0.00 N ATOM 74 CA ASP A 6 22.498 7.170 4.476 1.00 0.00 C ATOM 75 C ASP A 6 22.875 6.837 3.038 1.00 0.00 C ATOM 76 O ASP A 6 23.014 7.730 2.201 1.00 0.00 O ATOM 77 CB ASP A 6 21.949 8.599 4.551 1.00 0.00 C ATOM 78 CG ASP A 6 21.485 8.978 5.945 1.00 0.00 C ATOM 79 OD1 ASP A 6 22.342 9.296 6.802 1.00 0.00 O ATOM 80 OD2 ASP A 6 20.262 8.983 6.191 1.00 0.00 O ATOM 0 H ASP A 6 24.143 7.873 5.569 1.00 0.00 H new ATOM 0 HA ASP A 6 21.726 6.470 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 6 22.721 9.297 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.116 8.700 3.856 1.00 0.00 H new ATOM 85 N LYS A 7 23.063 5.552 2.764 1.00 0.00 N ATOM 86 CA LYS A 7 23.375 5.090 1.420 1.00 0.00 C ATOM 87 C LYS A 7 23.236 3.572 1.350 1.00 0.00 C ATOM 88 O LYS A 7 23.307 2.899 2.378 1.00 0.00 O ATOM 89 CB LYS A 7 24.790 5.524 1.013 1.00 0.00 C ATOM 90 CG LYS A 7 25.099 5.302 -0.460 1.00 0.00 C ATOM 91 CD LYS A 7 26.450 5.881 -0.853 1.00 0.00 C ATOM 92 CE LYS A 7 26.501 7.388 -0.643 1.00 0.00 C ATOM 93 NZ LYS A 7 25.436 8.101 -1.401 1.00 0.00 N ATOM 0 H LYS A 7 23.004 4.809 3.460 1.00 0.00 H new ATOM 0 HA LYS A 7 22.671 5.541 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 7 24.917 6.581 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.515 4.975 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.086 4.234 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.318 5.760 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 7 27.235 5.405 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 7 26.653 5.653 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 7 26.397 7.608 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 7 27.477 7.763 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.630 9.123 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.420 7.758 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.513 7.920 -0.956 1.00 0.00 H new ATOM 107 N SER A 8 23.002 3.056 0.139 1.00 0.00 N ATOM 108 CA SER A 8 22.894 1.615 -0.111 1.00 0.00 C ATOM 109 C SER A 8 21.606 1.048 0.473 1.00 0.00 C ATOM 110 O SER A 8 21.424 -0.166 0.581 1.00 0.00 O ATOM 111 CB SER A 8 24.110 0.884 0.456 1.00 0.00 C ATOM 112 OG SER A 8 24.086 -0.497 0.135 1.00 0.00 O ATOM 0 H SER A 8 22.882 3.627 -0.697 1.00 0.00 H new ATOM 0 HA SER A 8 22.866 1.461 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 8 25.022 1.334 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 8 24.136 1.006 1.539 1.00 0.00 H new ATOM 0 HG SER A 8 23.165 -0.829 0.186 1.00 0.00 H new ATOM 118 N MET A 9 20.714 1.946 0.809 1.00 0.00 N ATOM 119 CA MET A 9 19.431 1.586 1.396 1.00 0.00 C ATOM 120 C MET A 9 18.287 2.281 0.674 1.00 0.00 C ATOM 121 O MET A 9 18.167 3.507 0.722 1.00 0.00 O ATOM 122 CB MET A 9 19.400 1.938 2.886 1.00 0.00 C ATOM 123 CG MET A 9 20.162 0.957 3.761 1.00 0.00 C ATOM 124 SD MET A 9 19.423 -0.690 3.764 1.00 0.00 S ATOM 125 CE MET A 9 17.816 -0.339 4.473 1.00 0.00 C ATOM 0 H MET A 9 20.849 2.950 0.687 1.00 0.00 H new ATOM 0 HA MET A 9 19.306 0.509 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.819 2.935 3.024 1.00 0.00 H new ATOM 0 HB3 MET A 9 18.363 1.979 3.219 1.00 0.00 H new ATOM 0 HG2 MET A 9 21.192 0.888 3.411 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.197 1.337 4.782 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.391 -1.255 4.883 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.922 0.399 5.268 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.155 0.054 3.700 1.00 0.00 H new ATOM 135 N PRO A 10 17.453 1.510 -0.039 1.00 0.00 N ATOM 136 CA PRO A 10 16.256 2.023 -0.703 1.00 0.00 C ATOM 137 C PRO A 10 15.115 2.247 0.286 1.00 0.00 C ATOM 138 O PRO A 10 14.774 1.356 1.071 1.00 0.00 O ATOM 139 CB PRO A 10 15.882 0.917 -1.707 1.00 0.00 C ATOM 140 CG PRO A 10 16.975 -0.102 -1.624 1.00 0.00 C ATOM 141 CD PRO A 10 17.611 0.073 -0.277 1.00 0.00 C ATOM 0 HA PRO A 10 16.436 2.989 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.917 0.475 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.799 1.319 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.576 -1.110 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.704 0.044 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.113 -0.523 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.659 -0.225 -0.281 1.00 0.00 H new ATOM 149 N THR A 11 14.535 3.433 0.256 1.00 0.00 N ATOM 150 CA THR A 11 13.437 3.766 1.139 1.00 0.00 C ATOM 151 C THR A 11 12.112 3.201 0.621 1.00 0.00 C ATOM 152 O THR A 11 11.407 3.841 -0.164 1.00 0.00 O ATOM 153 CB THR A 11 13.335 5.290 1.307 1.00 0.00 C ATOM 154 OG1 THR A 11 13.636 5.931 0.059 1.00 0.00 O ATOM 155 CG2 THR A 11 14.286 5.785 2.388 1.00 0.00 C ATOM 0 H THR A 11 14.810 4.185 -0.376 1.00 0.00 H new ATOM 0 HA THR A 11 13.638 3.312 2.109 1.00 0.00 H new ATOM 0 HB THR A 11 12.318 5.538 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.292 6.848 0.071 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.194 6.867 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.036 5.312 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.310 5.532 2.115 1.00 0.00 H new ATOM 163 N ALA A 12 11.784 1.993 1.065 1.00 0.00 N ATOM 164 CA ALA A 12 10.573 1.312 0.627 1.00 0.00 C ATOM 165 C ALA A 12 9.339 2.038 1.138 1.00 0.00 C ATOM 166 O ALA A 12 8.382 2.251 0.396 1.00 0.00 O ATOM 167 CB ALA A 12 10.576 -0.137 1.095 1.00 0.00 C ATOM 0 H ALA A 12 12.344 1.463 1.732 1.00 0.00 H new ATOM 0 HA ALA A 12 10.548 1.320 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.664 -0.630 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.442 -0.652 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.625 -0.168 2.183 1.00 0.00 H new ATOM 173 N ILE A 13 9.384 2.436 2.405 1.00 0.00 N ATOM 174 CA ILE A 13 8.282 3.161 3.025 1.00 0.00 C ATOM 175 C ILE A 13 8.026 4.479 2.295 1.00 0.00 C ATOM 176 O ILE A 13 6.882 4.897 2.116 1.00 0.00 O ATOM 177 CB ILE A 13 8.576 3.451 4.515 1.00 0.00 C ATOM 178 CG1 ILE A 13 8.876 2.148 5.266 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.401 4.176 5.158 1.00 0.00 C ATOM 180 CD1 ILE A 13 9.359 2.362 6.686 1.00 0.00 C ATOM 0 H ILE A 13 10.176 2.267 3.025 1.00 0.00 H new ATOM 0 HA ILE A 13 7.395 2.531 2.956 1.00 0.00 H new ATOM 0 HB ILE A 13 9.454 4.094 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.975 1.535 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.631 1.587 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.624 4.372 6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.229 5.120 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.508 3.555 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.551 1.397 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.278 2.948 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.596 2.895 7.253 1.00 0.00 H new ATOM 192 N GLU A 14 9.105 5.109 1.849 1.00 0.00 N ATOM 193 CA GLU A 14 9.017 6.387 1.163 1.00 0.00 C ATOM 194 C GLU A 14 8.406 6.217 -0.226 1.00 0.00 C ATOM 195 O GLU A 14 7.538 6.989 -0.627 1.00 0.00 O ATOM 196 CB GLU A 14 10.405 7.022 1.073 1.00 0.00 C ATOM 197 CG GLU A 14 10.443 8.329 0.301 1.00 0.00 C ATOM 198 CD GLU A 14 11.785 9.023 0.408 1.00 0.00 C ATOM 199 OE1 GLU A 14 12.801 8.447 -0.035 1.00 0.00 O ATOM 200 OE2 GLU A 14 11.833 10.151 0.939 1.00 0.00 O ATOM 0 H GLU A 14 10.055 4.752 1.952 1.00 0.00 H new ATOM 0 HA GLU A 14 8.364 7.048 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.778 7.198 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.086 6.314 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.220 8.135 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.663 8.992 0.675 1.00 0.00 H new ATOM 207 N LYS A 15 8.840 5.193 -0.953 1.00 0.00 N ATOM 208 CA LYS A 15 8.314 4.952 -2.289 1.00 0.00 C ATOM 209 C LYS A 15 6.872 4.456 -2.209 1.00 0.00 C ATOM 210 O LYS A 15 6.065 4.725 -3.095 1.00 0.00 O ATOM 211 CB LYS A 15 9.179 3.947 -3.052 1.00 0.00 C ATOM 212 CG LYS A 15 8.924 3.945 -4.555 1.00 0.00 C ATOM 213 CD LYS A 15 9.269 5.295 -5.172 1.00 0.00 C ATOM 214 CE LYS A 15 9.063 5.306 -6.679 1.00 0.00 C ATOM 215 NZ LYS A 15 7.629 5.193 -7.056 1.00 0.00 N ATOM 0 H LYS A 15 9.546 4.525 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 15 8.334 5.896 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.230 4.172 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.994 2.947 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.519 3.163 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.878 3.710 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.652 6.069 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.307 5.541 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.473 6.228 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.619 4.481 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.516 5.424 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.300 4.221 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.066 5.855 -6.484 1.00 0.00 H new ATOM 229 N ALA A 16 6.555 3.736 -1.139 1.00 0.00 N ATOM 230 CA ALA A 16 5.189 3.296 -0.893 1.00 0.00 C ATOM 231 C ALA A 16 4.293 4.495 -0.608 1.00 0.00 C ATOM 232 O ALA A 16 3.125 4.526 -1.000 1.00 0.00 O ATOM 233 CB ALA A 16 5.144 2.311 0.266 1.00 0.00 C ATOM 0 H ALA A 16 7.226 3.445 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 16 4.822 2.790 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.115 1.994 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.757 1.442 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.528 2.791 1.166 1.00 0.00 H new ATOM 239 N LEU A 17 4.860 5.487 0.072 1.00 0.00 N ATOM 240 CA LEU A 17 4.159 6.731 0.348 1.00 0.00 C ATOM 241 C LEU A 17 3.946 7.509 -0.944 1.00 0.00 C ATOM 242 O LEU A 17 2.938 8.191 -1.109 1.00 0.00 O ATOM 243 CB LEU A 17 4.951 7.576 1.351 1.00 0.00 C ATOM 244 CG LEU A 17 4.306 8.905 1.746 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.965 8.668 2.418 1.00 0.00 C ATOM 246 CD2 LEU A 17 5.233 9.690 2.662 1.00 0.00 C ATOM 0 H LEU A 17 5.809 5.450 0.443 1.00 0.00 H new ATOM 0 HA LEU A 17 3.187 6.497 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.107 6.985 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.935 7.781 0.930 1.00 0.00 H new ATOM 0 HG LEU A 17 4.136 9.490 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.521 9.625 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.301 8.144 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.109 8.065 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.761 10.634 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.432 9.109 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.172 9.890 2.145 1.00 0.00 H new ATOM 258 N ASP A 18 4.911 7.398 -1.848 1.00 0.00 N ATOM 259 CA ASP A 18 4.822 8.015 -3.167 1.00 0.00 C ATOM 260 C ASP A 18 3.647 7.446 -3.961 1.00 0.00 C ATOM 261 O ASP A 18 2.928 8.185 -4.634 1.00 0.00 O ATOM 262 CB ASP A 18 6.139 7.803 -3.925 1.00 0.00 C ATOM 263 CG ASP A 18 6.024 8.081 -5.412 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.923 9.261 -5.800 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.049 7.112 -6.200 1.00 0.00 O ATOM 0 H ASP A 18 5.775 6.880 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 18 4.650 9.084 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.904 8.451 -3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.474 6.776 -3.779 1.00 0.00 H new ATOM 270 N PHE A 19 3.452 6.135 -3.869 1.00 0.00 N ATOM 271 CA PHE A 19 2.338 5.476 -4.550 1.00 0.00 C ATOM 272 C PHE A 19 1.011 5.774 -3.860 1.00 0.00 C ATOM 273 O PHE A 19 0.090 6.322 -4.466 1.00 0.00 O ATOM 274 CB PHE A 19 2.542 3.956 -4.602 1.00 0.00 C ATOM 275 CG PHE A 19 3.508 3.495 -5.654 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.156 3.524 -6.994 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.760 3.021 -5.304 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.037 3.092 -7.963 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.645 2.584 -6.269 1.00 0.00 C ATOM 280 CZ PHE A 19 5.283 2.620 -7.603 1.00 0.00 C ATOM 0 H PHE A 19 4.049 5.507 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 19 2.310 5.872 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.894 3.616 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.578 3.478 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.181 3.889 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.048 2.993 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.752 3.123 -9.004 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.619 2.215 -5.983 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.973 2.280 -8.361 1.00 0.00 H new ATOM 290 N ILE A 20 0.920 5.413 -2.585 1.00 0.00 N ATOM 291 CA ILE A 20 -0.339 5.494 -1.858 1.00 0.00 C ATOM 292 C ILE A 20 -0.725 6.938 -1.555 1.00 0.00 C ATOM 293 O ILE A 20 -1.843 7.349 -1.839 1.00 0.00 O ATOM 294 CB ILE A 20 -0.283 4.682 -0.543 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.020 3.211 -0.848 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.595 4.811 0.221 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.133 2.341 0.386 1.00 0.00 C ATOM 0 H ILE A 20 1.704 5.062 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.102 5.063 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 20 0.515 5.082 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.766 2.814 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.952 3.151 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.537 4.233 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.775 5.859 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.412 4.433 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.348 1.315 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.938 2.712 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.806 2.369 0.938 1.00 0.00 H new ATOM 309 N GLY A 21 0.209 7.715 -1.013 1.00 0.00 N ATOM 310 CA GLY A 21 -0.085 9.085 -0.633 1.00 0.00 C ATOM 311 C GLY A 21 -0.190 10.026 -1.818 1.00 0.00 C ATOM 312 O GLY A 21 -0.240 11.246 -1.647 1.00 0.00 O ATOM 0 H GLY A 21 1.168 7.418 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.022 9.107 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.694 9.444 0.039 1.00 0.00 H new ATOM 316 N GLY A 22 -0.223 9.466 -3.020 1.00 0.00 N ATOM 317 CA GLY A 22 -0.401 10.270 -4.208 1.00 0.00 C ATOM 318 C GLY A 22 -1.857 10.621 -4.425 1.00 0.00 C ATOM 319 O GLY A 22 -2.501 10.108 -5.342 1.00 0.00 O ATOM 0 H GLY A 22 -0.129 8.465 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.186 11.184 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.023 9.729 -5.075 1.00 0.00 H new ATOM 323 N MET A 23 -2.375 11.494 -3.571 1.00 0.00 N ATOM 324 CA MET A 23 -3.779 11.887 -3.622 1.00 0.00 C ATOM 325 C MET A 23 -4.119 12.557 -4.949 1.00 0.00 C ATOM 326 O MET A 23 -5.264 12.498 -5.397 1.00 0.00 O ATOM 327 CB MET A 23 -4.120 12.824 -2.461 1.00 0.00 C ATOM 328 CG MET A 23 -3.324 14.121 -2.457 1.00 0.00 C ATOM 329 SD MET A 23 -3.821 15.242 -1.134 1.00 0.00 S ATOM 330 CE MET A 23 -3.474 14.244 0.313 1.00 0.00 C ATOM 0 H MET A 23 -1.840 11.947 -2.830 1.00 0.00 H new ATOM 0 HA MET A 23 -4.378 10.980 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.183 13.062 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.945 12.300 -1.521 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.264 13.891 -2.353 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.449 14.622 -3.417 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.403 14.887 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.277 13.521 0.457 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.531 13.716 0.173 1.00 0.00 H new ATOM 340 N ASN A 24 -3.117 13.207 -5.552 1.00 0.00 N ATOM 341 CA ASN A 24 -3.257 13.845 -6.865 1.00 0.00 C ATOM 342 C ASN A 24 -4.265 14.994 -6.819 1.00 0.00 C ATOM 343 O ASN A 24 -3.891 16.153 -6.646 1.00 0.00 O ATOM 344 CB ASN A 24 -3.668 12.819 -7.930 1.00 0.00 C ATOM 345 CG ASN A 24 -3.632 13.387 -9.335 1.00 0.00 C ATOM 346 OD1 ASN A 24 -2.796 14.234 -9.656 1.00 0.00 O ATOM 347 ND2 ASN A 24 -4.539 12.926 -10.182 1.00 0.00 N ATOM 0 H ASN A 24 -2.187 13.305 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.285 14.257 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.003 11.957 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.674 12.460 -7.713 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.564 13.272 -11.141 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.213 12.225 -9.875 1.00 0.00 H new ATOM 354 N THR A 25 -5.539 14.658 -6.936 1.00 0.00 N ATOM 355 CA THR A 25 -6.608 15.644 -6.931 1.00 0.00 C ATOM 356 C THR A 25 -7.257 15.720 -5.547 1.00 0.00 C ATOM 357 O THR A 25 -8.302 16.351 -5.371 1.00 0.00 O ATOM 358 CB THR A 25 -7.678 15.275 -7.977 1.00 0.00 C ATOM 359 OG1 THR A 25 -7.049 14.672 -9.113 1.00 0.00 O ATOM 360 CG2 THR A 25 -8.454 16.505 -8.426 1.00 0.00 C ATOM 0 H THR A 25 -5.861 13.696 -7.037 1.00 0.00 H new ATOM 0 HA THR A 25 -6.179 16.615 -7.180 1.00 0.00 H new ATOM 0 HB THR A 25 -8.376 14.574 -7.519 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.730 14.436 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.202 16.214 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.949 16.957 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.768 17.226 -8.870 1.00 0.00 H new ATOM 368 N SER A 26 -6.616 15.069 -4.572 1.00 0.00 N ATOM 369 CA SER A 26 -7.137 14.984 -3.211 1.00 0.00 C ATOM 370 C SER A 26 -8.427 14.163 -3.199 1.00 0.00 C ATOM 371 O SER A 26 -9.479 14.631 -2.756 1.00 0.00 O ATOM 372 CB SER A 26 -7.365 16.387 -2.618 1.00 0.00 C ATOM 373 OG SER A 26 -7.919 16.316 -1.318 1.00 0.00 O ATOM 0 H SER A 26 -5.726 14.589 -4.706 1.00 0.00 H new ATOM 0 HA SER A 26 -6.400 14.482 -2.584 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.419 16.926 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.031 16.954 -3.268 1.00 0.00 H new ATOM 0 HG SER A 26 -8.736 15.776 -1.340 1.00 0.00 H new ATOM 379 N ALA A 27 -8.336 12.938 -3.707 1.00 0.00 N ATOM 380 CA ALA A 27 -9.492 12.057 -3.787 1.00 0.00 C ATOM 381 C ALA A 27 -9.841 11.486 -2.418 1.00 0.00 C ATOM 382 O ALA A 27 -8.974 10.985 -1.696 1.00 0.00 O ATOM 383 CB ALA A 27 -9.238 10.937 -4.783 1.00 0.00 C ATOM 0 H ALA A 27 -7.472 12.534 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.342 12.645 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.112 10.287 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.048 11.363 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.372 10.357 -4.465 1.00 0.00 H new ATOM 389 N SER A 28 -11.119 11.533 -2.083 1.00 0.00 N ATOM 390 CA SER A 28 -11.576 11.117 -0.766 1.00 0.00 C ATOM 391 C SER A 28 -12.682 10.076 -0.884 1.00 0.00 C ATOM 392 O SER A 28 -12.435 8.877 -0.741 1.00 0.00 O ATOM 393 CB SER A 28 -12.067 12.322 0.039 1.00 0.00 C ATOM 394 OG SER A 28 -11.051 13.301 0.163 1.00 0.00 O ATOM 0 H SER A 28 -11.860 11.855 -2.705 1.00 0.00 H new ATOM 0 HA SER A 28 -10.733 10.668 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.939 12.758 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.385 11.996 1.029 1.00 0.00 H new ATOM 0 HG SER A 28 -11.390 14.061 0.680 1.00 0.00 H new ATOM 400 N VAL A 29 -13.895 10.537 -1.165 1.00 0.00 N ATOM 401 CA VAL A 29 -15.028 9.638 -1.311 1.00 0.00 C ATOM 402 C VAL A 29 -14.904 8.843 -2.612 1.00 0.00 C ATOM 403 O VAL A 29 -14.823 7.615 -2.570 1.00 0.00 O ATOM 404 CB VAL A 29 -16.382 10.383 -1.237 1.00 0.00 C ATOM 405 CG1 VAL A 29 -17.541 9.426 -1.465 1.00 0.00 C ATOM 406 CG2 VAL A 29 -16.529 11.088 0.103 1.00 0.00 C ATOM 0 H VAL A 29 -14.117 11.524 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.010 8.944 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.401 11.133 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.482 9.974 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.447 8.968 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.527 8.649 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.487 11.607 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.485 10.354 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.721 11.809 0.225 1.00 0.00 H new ATOM 416 N PRO A 30 -14.870 9.510 -3.788 1.00 0.00 N ATOM 417 CA PRO A 30 -14.589 8.827 -5.047 1.00 0.00 C ATOM 418 C PRO A 30 -13.092 8.598 -5.233 1.00 0.00 C ATOM 419 O PRO A 30 -12.284 9.501 -5.014 1.00 0.00 O ATOM 420 CB PRO A 30 -15.122 9.802 -6.096 1.00 0.00 C ATOM 421 CG PRO A 30 -14.927 11.144 -5.484 1.00 0.00 C ATOM 422 CD PRO A 30 -15.124 10.957 -4.004 1.00 0.00 C ATOM 0 HA PRO A 30 -15.044 7.838 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.578 9.711 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.173 9.614 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.931 11.530 -5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.641 11.863 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.434 11.574 -3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.132 11.236 -3.697 1.00 0.00 H new ATOM 430 N HIS A 31 -12.728 7.384 -5.611 1.00 0.00 N ATOM 431 CA HIS A 31 -11.337 7.045 -5.874 1.00 0.00 C ATOM 432 C HIS A 31 -11.219 6.424 -7.261 1.00 0.00 C ATOM 433 O HIS A 31 -12.075 5.633 -7.659 1.00 0.00 O ATOM 434 CB HIS A 31 -10.802 6.073 -4.813 1.00 0.00 C ATOM 435 CG HIS A 31 -10.212 6.745 -3.608 1.00 0.00 C ATOM 436 ND1 HIS A 31 -9.218 6.179 -2.842 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.459 7.957 -3.057 1.00 0.00 C ATOM 438 CE1 HIS A 31 -8.883 7.012 -1.875 1.00 0.00 C ATOM 439 NE2 HIS A 31 -9.619 8.103 -1.981 1.00 0.00 N ATOM 0 H HIS A 31 -13.380 6.611 -5.744 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.740 7.956 -5.831 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.614 5.421 -4.491 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.043 5.436 -5.268 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.805 5.259 -2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.185 8.678 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.131 6.831 -1.121 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.572 8.916 -1.367 1.00 0.00 H new ATOM 448 N SER A 32 -10.174 6.779 -7.995 1.00 0.00 N ATOM 449 CA SER A 32 -10.014 6.305 -9.365 1.00 0.00 C ATOM 450 C SER A 32 -9.118 5.072 -9.415 1.00 0.00 C ATOM 451 O SER A 32 -9.593 3.938 -9.466 1.00 0.00 O ATOM 452 CB SER A 32 -9.403 7.406 -10.231 1.00 0.00 C ATOM 453 OG SER A 32 -10.155 8.608 -10.140 1.00 0.00 O ATOM 0 H SER A 32 -9.426 7.391 -7.668 1.00 0.00 H new ATOM 0 HA SER A 32 -11.000 6.039 -9.747 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.376 7.592 -9.917 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.364 7.076 -11.269 1.00 0.00 H new ATOM 0 HG SER A 32 -9.741 9.296 -10.702 1.00 0.00 H new ATOM 459 N MET A 33 -7.817 5.304 -9.372 1.00 0.00 N ATOM 460 CA MET A 33 -6.843 4.225 -9.370 1.00 0.00 C ATOM 461 C MET A 33 -6.319 4.035 -7.959 1.00 0.00 C ATOM 462 O MET A 33 -5.729 3.017 -7.618 1.00 0.00 O ATOM 463 CB MET A 33 -5.693 4.535 -10.328 1.00 0.00 C ATOM 464 CG MET A 33 -5.142 5.944 -10.181 1.00 0.00 C ATOM 465 SD MET A 33 -3.453 6.087 -10.783 1.00 0.00 S ATOM 466 CE MET A 33 -2.639 4.994 -9.625 1.00 0.00 C ATOM 0 H MET A 33 -7.408 6.238 -9.338 1.00 0.00 H new ATOM 0 HA MET A 33 -7.322 3.306 -9.708 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.888 3.820 -10.160 1.00 0.00 H new ATOM 0 HB3 MET A 33 -6.036 4.393 -11.353 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.779 6.639 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.177 6.237 -9.132 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.697 5.440 -9.304 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.281 4.839 -8.758 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.442 4.036 -10.106 1.00 0.00 H new ATOM 476 N ASP A 34 -6.586 5.027 -7.134 1.00 0.00 N ATOM 477 CA ASP A 34 -6.228 5.000 -5.730 1.00 0.00 C ATOM 478 C ASP A 34 -7.254 4.179 -4.949 1.00 0.00 C ATOM 479 O ASP A 34 -7.291 4.193 -3.719 1.00 0.00 O ATOM 480 CB ASP A 34 -6.128 6.434 -5.194 1.00 0.00 C ATOM 481 CG ASP A 34 -7.342 7.290 -5.538 1.00 0.00 C ATOM 482 OD1 ASP A 34 -7.826 7.227 -6.696 1.00 0.00 O ATOM 483 OD2 ASP A 34 -7.810 8.027 -4.657 1.00 0.00 O ATOM 0 H ASP A 34 -7.062 5.882 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.255 4.525 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.009 6.403 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.233 6.905 -5.600 1.00 0.00 H new ATOM 488 N GLU A 35 -8.111 3.489 -5.694 1.00 0.00 N ATOM 489 CA GLU A 35 -9.035 2.517 -5.128 1.00 0.00 C ATOM 490 C GLU A 35 -8.515 1.102 -5.396 1.00 0.00 C ATOM 491 O GLU A 35 -7.996 0.438 -4.502 1.00 0.00 O ATOM 492 CB GLU A 35 -10.431 2.700 -5.742 1.00 0.00 C ATOM 493 CG GLU A 35 -11.585 2.187 -4.883 1.00 0.00 C ATOM 494 CD GLU A 35 -11.575 0.683 -4.681 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.490 -0.055 -5.683 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.665 0.236 -3.515 1.00 0.00 O ATOM 0 H GLU A 35 -8.183 3.589 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.108 2.670 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.588 3.760 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.458 2.188 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.546 2.675 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.528 2.476 -5.347 1.00 0.00 H new ATOM 503 N SER A 36 -8.626 0.674 -6.648 1.00 0.00 N ATOM 504 CA SER A 36 -8.275 -0.682 -7.041 1.00 0.00 C ATOM 505 C SER A 36 -6.763 -0.885 -7.136 1.00 0.00 C ATOM 506 O SER A 36 -6.221 -1.817 -6.537 1.00 0.00 O ATOM 507 CB SER A 36 -8.948 -1.001 -8.373 1.00 0.00 C ATOM 508 OG SER A 36 -8.875 0.113 -9.251 1.00 0.00 O ATOM 0 H SER A 36 -8.961 1.256 -7.416 1.00 0.00 H new ATOM 0 HA SER A 36 -8.631 -1.366 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.466 -1.864 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.991 -1.270 -8.204 1.00 0.00 H new ATOM 0 HG SER A 36 -9.310 -0.111 -10.100 1.00 0.00 H new ATOM 514 N THR A 37 -6.089 -0.020 -7.886 1.00 0.00 N ATOM 515 CA THR A 37 -4.645 -0.114 -8.064 1.00 0.00 C ATOM 516 C THR A 37 -3.924 -0.097 -6.715 1.00 0.00 C ATOM 517 O THR A 37 -3.046 -0.923 -6.461 1.00 0.00 O ATOM 518 CB THR A 37 -4.124 1.041 -8.937 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.846 1.079 -10.177 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.637 0.892 -9.207 1.00 0.00 C ATOM 0 H THR A 37 -6.523 0.758 -8.383 1.00 0.00 H new ATOM 0 HA THR A 37 -4.438 -1.060 -8.564 1.00 0.00 H new ATOM 0 HB THR A 37 -4.280 1.975 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.287 0.709 -10.892 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.295 1.721 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.093 0.896 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.454 -0.048 -9.727 1.00 0.00 H new ATOM 528 N ALA A 38 -4.322 0.829 -5.847 1.00 0.00 N ATOM 529 CA ALA A 38 -3.730 0.944 -4.518 1.00 0.00 C ATOM 530 C ALA A 38 -3.958 -0.327 -3.706 1.00 0.00 C ATOM 531 O ALA A 38 -3.052 -0.822 -3.037 1.00 0.00 O ATOM 532 CB ALA A 38 -4.300 2.149 -3.781 1.00 0.00 C ATOM 0 H ALA A 38 -5.054 1.512 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.656 1.084 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.847 2.218 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.082 3.056 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.379 2.036 -3.678 1.00 0.00 H new ATOM 538 N LYS A 39 -5.175 -0.858 -3.787 1.00 0.00 N ATOM 539 CA LYS A 39 -5.540 -2.083 -3.084 1.00 0.00 C ATOM 540 C LYS A 39 -4.723 -3.263 -3.609 1.00 0.00 C ATOM 541 O LYS A 39 -4.302 -4.136 -2.845 1.00 0.00 O ATOM 542 CB LYS A 39 -7.037 -2.346 -3.271 1.00 0.00 C ATOM 543 CG LYS A 39 -7.609 -3.448 -2.389 1.00 0.00 C ATOM 544 CD LYS A 39 -9.117 -3.567 -2.577 1.00 0.00 C ATOM 545 CE LYS A 39 -9.816 -2.255 -2.256 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.246 -2.258 -2.658 1.00 0.00 N ATOM 0 H LYS A 39 -5.932 -0.454 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.324 -1.966 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.581 -1.423 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.218 -2.605 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.132 -4.398 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.384 -3.236 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.336 -3.857 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.505 -4.356 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.743 -2.061 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.301 -1.439 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.544 -1.288 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.371 -2.865 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.826 -2.622 -1.875 1.00 0.00 H new ATOM 560 N GLY A 40 -4.502 -3.275 -4.919 1.00 0.00 N ATOM 561 CA GLY A 40 -3.709 -4.317 -5.539 1.00 0.00 C ATOM 562 C GLY A 40 -2.253 -4.256 -5.127 1.00 0.00 C ATOM 563 O GLY A 40 -1.616 -5.291 -4.939 1.00 0.00 O ATOM 0 H GLY A 40 -4.862 -2.574 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.119 -5.290 -5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.781 -4.229 -6.623 1.00 0.00 H new ATOM 567 N ILE A 41 -1.730 -3.040 -4.986 1.00 0.00 N ATOM 568 CA ILE A 41 -0.352 -2.836 -4.545 1.00 0.00 C ATOM 569 C ILE A 41 -0.129 -3.460 -3.169 1.00 0.00 C ATOM 570 O ILE A 41 0.852 -4.174 -2.954 1.00 0.00 O ATOM 571 CB ILE A 41 0.006 -1.330 -4.498 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.017 -0.746 -5.916 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.351 -1.105 -3.818 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.346 0.733 -5.973 1.00 0.00 C ATOM 0 H ILE A 41 -2.242 -2.178 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 41 0.299 -3.324 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.755 -0.817 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.744 -1.293 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.960 -0.908 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.576 -0.039 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.311 -1.485 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.130 -1.631 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.333 1.069 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.394 1.293 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.336 0.902 -5.549 1.00 0.00 H new ATOM 586 N LEU A 42 -1.056 -3.204 -2.253 1.00 0.00 N ATOM 587 CA LEU A 42 -0.974 -3.745 -0.901 1.00 0.00 C ATOM 588 C LEU A 42 -0.950 -5.271 -0.925 1.00 0.00 C ATOM 589 O LEU A 42 -0.171 -5.906 -0.209 1.00 0.00 O ATOM 590 CB LEU A 42 -2.162 -3.257 -0.065 1.00 0.00 C ATOM 591 CG LEU A 42 -2.234 -1.742 0.138 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.504 -1.364 0.885 1.00 0.00 C ATOM 593 CD2 LEU A 42 -1.008 -1.246 0.889 1.00 0.00 C ATOM 0 H LEU A 42 -1.877 -2.623 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.047 -3.392 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.084 -3.588 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.120 -3.737 0.913 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.255 -1.264 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.538 -0.283 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.373 -1.686 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.512 -1.852 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.076 -0.167 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.957 -1.731 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.111 -1.484 0.318 1.00 0.00 H new ATOM 605 N LYS A 43 -1.796 -5.852 -1.762 1.00 0.00 N ATOM 606 CA LYS A 43 -1.888 -7.299 -1.875 1.00 0.00 C ATOM 607 C LYS A 43 -0.644 -7.879 -2.545 1.00 0.00 C ATOM 608 O LYS A 43 -0.164 -8.950 -2.164 1.00 0.00 O ATOM 609 CB LYS A 43 -3.159 -7.686 -2.638 1.00 0.00 C ATOM 610 CG LYS A 43 -4.432 -7.393 -1.859 1.00 0.00 C ATOM 611 CD LYS A 43 -5.696 -7.595 -2.690 1.00 0.00 C ATOM 612 CE LYS A 43 -5.849 -9.026 -3.191 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.659 -10.032 -2.113 1.00 0.00 N ATOM 0 H LYS A 43 -2.431 -5.341 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.944 -7.722 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.186 -7.146 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.123 -8.749 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.472 -8.039 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.402 -6.366 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.566 -7.330 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.678 -6.916 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.840 -9.150 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.125 -9.209 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.938 -10.971 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.659 -10.051 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.247 -9.778 -1.294 1.00 0.00 H new ATOM 627 N TYR A 44 -0.106 -7.155 -3.519 1.00 0.00 N ATOM 628 CA TYR A 44 1.087 -7.603 -4.225 1.00 0.00 C ATOM 629 C TYR A 44 2.302 -7.585 -3.300 1.00 0.00 C ATOM 630 O TYR A 44 3.161 -8.465 -3.368 1.00 0.00 O ATOM 631 CB TYR A 44 1.351 -6.729 -5.457 1.00 0.00 C ATOM 632 CG TYR A 44 2.473 -7.248 -6.327 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.246 -8.266 -7.244 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.759 -6.731 -6.223 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.268 -8.756 -8.031 1.00 0.00 C ATOM 636 CE2 TYR A 44 4.787 -7.218 -7.007 1.00 0.00 C ATOM 637 CZ TYR A 44 4.536 -8.230 -7.911 1.00 0.00 C ATOM 638 OH TYR A 44 5.554 -8.725 -8.691 1.00 0.00 O ATOM 0 H TYR A 44 -0.475 -6.259 -3.837 1.00 0.00 H new ATOM 0 HA TYR A 44 0.916 -8.627 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.439 -6.665 -6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.591 -5.717 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.254 -8.681 -7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.958 -5.937 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.075 -9.549 -8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.782 -6.809 -6.913 1.00 0.00 H new ATOM 0 HH TYR A 44 5.920 -8.006 -9.247 1.00 0.00 H new ATOM 648 N LEU A 45 2.367 -6.582 -2.433 1.00 0.00 N ATOM 649 CA LEU A 45 3.455 -6.478 -1.468 1.00 0.00 C ATOM 650 C LEU A 45 3.401 -7.624 -0.467 1.00 0.00 C ATOM 651 O LEU A 45 4.434 -8.134 -0.032 1.00 0.00 O ATOM 652 CB LEU A 45 3.401 -5.132 -0.745 1.00 0.00 C ATOM 653 CG LEU A 45 3.750 -3.921 -1.614 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.512 -2.629 -0.851 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.193 -4.002 -2.084 1.00 0.00 C ATOM 0 H LEU A 45 1.680 -5.830 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 45 4.399 -6.543 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.399 -4.993 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.086 -5.163 0.102 1.00 0.00 H new ATOM 0 HG LEU A 45 3.100 -3.928 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.766 -1.780 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.463 -2.565 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.136 -2.614 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.424 -3.133 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.857 -4.020 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.334 -4.910 -2.670 1.00 0.00 H new ATOM 667 N HIS A 46 2.188 -8.045 -0.117 1.00 0.00 N ATOM 668 CA HIS A 46 2.009 -9.189 0.767 1.00 0.00 C ATOM 669 C HIS A 46 2.593 -10.438 0.116 1.00 0.00 C ATOM 670 O HIS A 46 3.164 -11.292 0.791 1.00 0.00 O ATOM 671 CB HIS A 46 0.527 -9.407 1.076 1.00 0.00 C ATOM 672 CG HIS A 46 0.278 -10.330 2.231 1.00 0.00 C ATOM 673 ND1 HIS A 46 0.209 -11.702 2.108 1.00 0.00 N ATOM 674 CD2 HIS A 46 0.082 -10.065 3.543 1.00 0.00 C ATOM 675 CE1 HIS A 46 -0.025 -12.235 3.294 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.104 -11.263 4.183 1.00 0.00 N ATOM 0 H HIS A 46 1.320 -7.612 -0.431 1.00 0.00 H new ATOM 0 HA HIS A 46 2.530 -8.990 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.064 -8.443 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.036 -9.809 0.190 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.074 -9.088 4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.133 -13.289 3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.275 -11.383 5.181 1.00 0.00 H new ATOM 685 N ASP A 47 2.445 -10.529 -1.203 1.00 0.00 N ATOM 686 CA ASP A 47 3.025 -11.628 -1.977 1.00 0.00 C ATOM 687 C ASP A 47 4.547 -11.629 -1.864 1.00 0.00 C ATOM 688 O ASP A 47 5.173 -12.684 -1.770 1.00 0.00 O ATOM 689 CB ASP A 47 2.608 -11.518 -3.449 1.00 0.00 C ATOM 690 CG ASP A 47 3.333 -12.504 -4.349 1.00 0.00 C ATOM 691 OD1 ASP A 47 2.983 -13.697 -4.336 1.00 0.00 O ATOM 692 OD2 ASP A 47 4.237 -12.078 -5.104 1.00 0.00 O ATOM 0 H ASP A 47 1.926 -9.852 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 47 2.649 -12.566 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.534 -11.684 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.801 -10.504 -3.800 1.00 0.00 H new ATOM 697 N LEU A 48 5.129 -10.435 -1.850 1.00 0.00 N ATOM 698 CA LEU A 48 6.577 -10.281 -1.750 1.00 0.00 C ATOM 699 C LEU A 48 7.068 -10.608 -0.341 1.00 0.00 C ATOM 700 O LEU A 48 8.251 -10.888 -0.130 1.00 0.00 O ATOM 701 CB LEU A 48 6.981 -8.856 -2.128 1.00 0.00 C ATOM 702 CG LEU A 48 6.640 -8.445 -3.562 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.962 -6.978 -3.783 1.00 0.00 C ATOM 704 CD2 LEU A 48 7.401 -9.306 -4.559 1.00 0.00 C ATOM 0 H LEU A 48 4.617 -9.554 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 48 7.042 -10.982 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.494 -8.163 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.056 -8.748 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 48 5.572 -8.596 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.714 -6.701 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.379 -6.369 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.025 -6.808 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.146 -9.000 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.473 -9.184 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.130 -10.352 -4.417 1.00 0.00 H new ATOM 716 N GLY A 49 6.158 -10.557 0.623 1.00 0.00 N ATOM 717 CA GLY A 49 6.494 -10.927 1.982 1.00 0.00 C ATOM 718 C GLY A 49 6.287 -9.793 2.963 1.00 0.00 C ATOM 719 O GLY A 49 5.922 -10.024 4.114 1.00 0.00 O ATOM 0 H GLY A 49 5.190 -10.265 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.885 -11.779 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.534 -11.250 2.020 1.00 0.00 H new ATOM 723 N VAL A 50 6.506 -8.570 2.502 1.00 0.00 N ATOM 724 CA VAL A 50 6.424 -7.397 3.353 1.00 0.00 C ATOM 725 C VAL A 50 5.038 -6.751 3.301 1.00 0.00 C ATOM 726 O VAL A 50 4.652 -6.148 2.299 1.00 0.00 O ATOM 727 CB VAL A 50 7.500 -6.361 2.970 1.00 0.00 C ATOM 728 CG1 VAL A 50 8.862 -6.783 3.501 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.566 -6.176 1.457 1.00 0.00 C ATOM 0 H VAL A 50 6.744 -8.366 1.532 1.00 0.00 H new ATOM 0 HA VAL A 50 6.602 -7.733 4.374 1.00 0.00 H new ATOM 0 HB VAL A 50 7.223 -5.409 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.608 -6.039 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.820 -6.863 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.135 -7.749 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.333 -5.440 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.813 -7.127 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.600 -5.828 1.090 1.00 0.00 H new ATOM 739 N PRO A 51 4.265 -6.884 4.385 1.00 0.00 N ATOM 740 CA PRO A 51 2.941 -6.296 4.487 1.00 0.00 C ATOM 741 C PRO A 51 2.971 -4.871 5.043 1.00 0.00 C ATOM 742 O PRO A 51 3.701 -4.575 5.994 1.00 0.00 O ATOM 743 CB PRO A 51 2.235 -7.245 5.455 1.00 0.00 C ATOM 744 CG PRO A 51 3.314 -7.758 6.355 1.00 0.00 C ATOM 745 CD PRO A 51 4.621 -7.635 5.600 1.00 0.00 C ATOM 0 HA PRO A 51 2.450 -6.197 3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.462 -6.726 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.746 -8.060 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.349 -7.184 7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.125 -8.795 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.373 -7.109 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.034 -8.614 5.357 1.00 0.00 H new ATOM 753 N VAL A 52 2.188 -3.990 4.437 1.00 0.00 N ATOM 754 CA VAL A 52 2.074 -2.623 4.914 1.00 0.00 C ATOM 755 C VAL A 52 0.955 -2.526 5.946 1.00 0.00 C ATOM 756 O VAL A 52 -0.227 -2.550 5.600 1.00 0.00 O ATOM 757 CB VAL A 52 1.810 -1.627 3.762 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.744 -0.201 4.287 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.886 -1.750 2.693 1.00 0.00 C ATOM 0 H VAL A 52 1.623 -4.199 3.614 1.00 0.00 H new ATOM 0 HA VAL A 52 3.026 -2.354 5.372 1.00 0.00 H new ATOM 0 HB VAL A 52 0.847 -1.872 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.557 0.483 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.937 -0.118 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.690 0.055 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.684 -1.041 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.860 -1.534 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.886 -2.763 2.291 1.00 0.00 H new ATOM 769 N SER A 53 1.341 -2.456 7.210 1.00 0.00 N ATOM 770 CA SER A 53 0.390 -2.368 8.305 1.00 0.00 C ATOM 771 C SER A 53 -0.450 -1.098 8.210 1.00 0.00 C ATOM 772 O SER A 53 0.063 -0.024 7.884 1.00 0.00 O ATOM 773 CB SER A 53 1.138 -2.410 9.634 1.00 0.00 C ATOM 774 OG SER A 53 1.893 -3.603 9.734 1.00 0.00 O ATOM 0 H SER A 53 2.318 -2.459 7.504 1.00 0.00 H new ATOM 0 HA SER A 53 -0.289 -3.218 8.242 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.798 -1.546 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.430 -2.349 10.460 1.00 0.00 H new ATOM 0 HG SER A 53 2.370 -3.618 10.590 1.00 0.00 H new ATOM 780 N PRO A 54 -1.757 -1.210 8.495 1.00 0.00 N ATOM 781 CA PRO A 54 -2.688 -0.079 8.443 1.00 0.00 C ATOM 782 C PRO A 54 -2.266 1.053 9.375 1.00 0.00 C ATOM 783 O PRO A 54 -2.569 2.221 9.126 1.00 0.00 O ATOM 784 CB PRO A 54 -4.026 -0.677 8.893 1.00 0.00 C ATOM 785 CG PRO A 54 -3.685 -1.973 9.549 1.00 0.00 C ATOM 786 CD PRO A 54 -2.432 -2.459 8.885 1.00 0.00 C ATOM 0 HA PRO A 54 -2.729 0.365 7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.540 -0.010 9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.692 -0.831 8.044 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.532 -1.839 10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.494 -2.694 9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.820 -3.053 9.564 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.651 -3.086 8.021 1.00 0.00 H new ATOM 794 N GLU A 55 -1.560 0.695 10.442 1.00 0.00 N ATOM 795 CA GLU A 55 -1.046 1.674 11.391 1.00 0.00 C ATOM 796 C GLU A 55 -0.086 2.628 10.695 1.00 0.00 C ATOM 797 O GLU A 55 -0.129 3.837 10.909 1.00 0.00 O ATOM 798 CB GLU A 55 -0.329 0.968 12.540 1.00 0.00 C ATOM 799 CG GLU A 55 0.025 1.888 13.694 1.00 0.00 C ATOM 800 CD GLU A 55 0.536 1.130 14.897 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.266 0.419 15.537 1.00 0.00 O ATOM 802 OE2 GLU A 55 1.739 1.242 15.213 1.00 0.00 O ATOM 0 H GLU A 55 -1.330 -0.272 10.672 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.885 2.243 11.791 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.962 0.161 12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.583 0.509 12.160 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.783 2.601 13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.855 2.465 13.978 1.00 0.00 H new ATOM 809 N VAL A 56 0.766 2.070 9.844 1.00 0.00 N ATOM 810 CA VAL A 56 1.736 2.860 9.104 1.00 0.00 C ATOM 811 C VAL A 56 1.017 3.793 8.134 1.00 0.00 C ATOM 812 O VAL A 56 1.436 4.930 7.919 1.00 0.00 O ATOM 813 CB VAL A 56 2.718 1.959 8.327 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.845 2.783 7.724 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.278 0.869 9.234 1.00 0.00 C ATOM 0 H VAL A 56 0.803 1.069 9.650 1.00 0.00 H new ATOM 0 HA VAL A 56 2.308 3.448 9.822 1.00 0.00 H new ATOM 0 HB VAL A 56 2.171 1.483 7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.525 2.127 7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.429 3.522 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.390 3.292 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.969 0.244 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.806 1.327 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.461 0.256 9.613 1.00 0.00 H new ATOM 825 N VAL A 57 -0.080 3.299 7.567 1.00 0.00 N ATOM 826 CA VAL A 57 -0.923 4.095 6.685 1.00 0.00 C ATOM 827 C VAL A 57 -1.480 5.304 7.437 1.00 0.00 C ATOM 828 O VAL A 57 -1.406 6.436 6.957 1.00 0.00 O ATOM 829 CB VAL A 57 -2.092 3.254 6.121 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.982 4.089 5.212 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.561 2.041 5.374 1.00 0.00 C ATOM 0 H VAL A 57 -0.407 2.343 7.705 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.308 4.435 5.852 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.696 2.912 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.795 3.471 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.396 4.925 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.394 4.470 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.396 1.460 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.930 2.370 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.975 1.423 6.054 1.00 0.00 H new ATOM 841 N VAL A 58 -2.013 5.054 8.629 1.00 0.00 N ATOM 842 CA VAL A 58 -2.541 6.120 9.473 1.00 0.00 C ATOM 843 C VAL A 58 -1.428 7.090 9.862 1.00 0.00 C ATOM 844 O VAL A 58 -1.603 8.308 9.806 1.00 0.00 O ATOM 845 CB VAL A 58 -3.202 5.552 10.749 1.00 0.00 C ATOM 846 CG1 VAL A 58 -3.735 6.673 11.632 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.318 4.582 10.391 1.00 0.00 C ATOM 0 H VAL A 58 -2.091 4.121 9.033 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.300 6.650 8.898 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.440 5.010 11.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.195 6.247 12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.914 7.327 11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.478 7.249 11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.770 4.194 11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.076 5.100 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.909 3.756 9.809 1.00 0.00 H new ATOM 857 N ALA A 59 -0.279 6.540 10.239 1.00 0.00 N ATOM 858 CA ALA A 59 0.887 7.346 10.590 1.00 0.00 C ATOM 859 C ALA A 59 1.286 8.268 9.438 1.00 0.00 C ATOM 860 O ALA A 59 1.690 9.412 9.655 1.00 0.00 O ATOM 861 CB ALA A 59 2.054 6.448 10.982 1.00 0.00 C ATOM 0 H ALA A 59 -0.129 5.534 10.310 1.00 0.00 H new ATOM 0 HA ALA A 59 0.622 7.970 11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.916 7.063 11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.772 5.839 11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.310 5.798 10.145 1.00 0.00 H new ATOM 867 N ARG A 60 1.172 7.767 8.212 1.00 0.00 N ATOM 868 CA ARG A 60 1.451 8.574 7.030 1.00 0.00 C ATOM 869 C ARG A 60 0.421 9.679 6.883 1.00 0.00 C ATOM 870 O ARG A 60 0.763 10.826 6.608 1.00 0.00 O ATOM 871 CB ARG A 60 1.459 7.715 5.766 1.00 0.00 C ATOM 872 CG ARG A 60 2.624 6.742 5.673 1.00 0.00 C ATOM 873 CD ARG A 60 3.960 7.446 5.833 1.00 0.00 C ATOM 874 NE ARG A 60 4.303 7.651 7.247 1.00 0.00 N ATOM 875 CZ ARG A 60 5.496 8.059 7.687 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.470 8.338 6.826 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.712 8.193 8.992 1.00 0.00 N ATOM 0 H ARG A 60 0.889 6.808 8.012 1.00 0.00 H new ATOM 0 HA ARG A 60 2.439 9.017 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.527 7.152 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.480 8.371 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.521 5.977 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.595 6.231 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.741 6.858 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.927 8.409 5.324 1.00 0.00 H new ATOM 0 HE ARG A 60 3.579 7.469 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.308 8.241 5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.379 8.649 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.967 7.984 9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.623 8.505 9.329 1.00 0.00 H new ATOM 891 N GLY A 61 -0.842 9.326 7.086 1.00 0.00 N ATOM 892 CA GLY A 61 -1.914 10.292 6.966 1.00 0.00 C ATOM 893 C GLY A 61 -1.788 11.422 7.960 1.00 0.00 C ATOM 894 O GLY A 61 -2.166 12.554 7.673 1.00 0.00 O ATOM 0 H GLY A 61 -1.143 8.383 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.919 10.700 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.870 9.789 7.112 1.00 0.00 H new ATOM 898 N GLU A 62 -1.247 11.115 9.131 1.00 0.00 N ATOM 899 CA GLU A 62 -1.046 12.116 10.166 1.00 0.00 C ATOM 900 C GLU A 62 0.188 12.970 9.885 1.00 0.00 C ATOM 901 O GLU A 62 0.261 14.124 10.314 1.00 0.00 O ATOM 902 CB GLU A 62 -0.923 11.442 11.534 1.00 0.00 C ATOM 903 CG GLU A 62 -2.208 10.767 11.988 1.00 0.00 C ATOM 904 CD GLU A 62 -3.338 11.756 12.180 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.906 12.231 11.178 1.00 0.00 O ATOM 906 OE2 GLU A 62 -3.651 12.085 13.341 1.00 0.00 O ATOM 0 H GLU A 62 -0.939 10.177 9.387 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.914 12.775 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.125 10.701 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.631 12.187 12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.503 10.020 11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.027 10.238 12.924 1.00 0.00 H new ATOM 913 N GLN A 63 1.153 12.406 9.169 1.00 0.00 N ATOM 914 CA GLN A 63 2.373 13.134 8.839 1.00 0.00 C ATOM 915 C GLN A 63 2.148 14.039 7.634 1.00 0.00 C ATOM 916 O GLN A 63 2.454 15.230 7.666 1.00 0.00 O ATOM 917 CB GLN A 63 3.522 12.164 8.539 1.00 0.00 C ATOM 918 CG GLN A 63 4.852 12.865 8.309 1.00 0.00 C ATOM 919 CD GLN A 63 5.949 11.931 7.839 1.00 0.00 C ATOM 920 OE1 GLN A 63 6.661 11.337 8.644 1.00 0.00 O ATOM 921 NE2 GLN A 63 6.105 11.809 6.529 1.00 0.00 N ATOM 0 H GLN A 63 1.116 11.453 8.807 1.00 0.00 H new ATOM 0 HA GLN A 63 2.639 13.744 9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.625 11.465 9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.271 11.575 7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.715 13.655 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.166 13.346 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.493 12.320 5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.837 11.205 6.157 1.00 0.00 H new ATOM 930 N GLU A 64 1.599 13.460 6.579 1.00 0.00 N ATOM 931 CA GLU A 64 1.416 14.166 5.318 1.00 0.00 C ATOM 932 C GLU A 64 0.136 14.996 5.323 1.00 0.00 C ATOM 933 O GLU A 64 0.014 15.972 4.581 1.00 0.00 O ATOM 934 CB GLU A 64 1.377 13.164 4.167 1.00 0.00 C ATOM 935 CG GLU A 64 2.625 12.303 4.067 1.00 0.00 C ATOM 936 CD GLU A 64 3.883 13.116 3.851 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.114 13.569 2.711 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.652 13.302 4.816 1.00 0.00 O ATOM 0 H GLU A 64 1.269 12.495 6.570 1.00 0.00 H new ATOM 0 HA GLU A 64 2.258 14.846 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.508 12.517 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.243 13.705 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.730 11.716 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.509 11.597 3.245 1.00 0.00 H new ATOM 945 N GLY A 65 -0.811 14.608 6.161 1.00 0.00 N ATOM 946 CA GLY A 65 -2.088 15.293 6.193 1.00 0.00 C ATOM 947 C GLY A 65 -3.016 14.798 5.107 1.00 0.00 C ATOM 948 O GLY A 65 -3.481 15.576 4.274 1.00 0.00 O ATOM 0 H GLY A 65 -0.721 13.833 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.556 15.145 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.929 16.365 6.075 1.00 0.00 H new ATOM 952 N TRP A 66 -3.271 13.495 5.105 1.00 0.00 N ATOM 953 CA TRP A 66 -4.145 12.886 4.104 1.00 0.00 C ATOM 954 C TRP A 66 -5.603 13.268 4.358 1.00 0.00 C ATOM 955 O TRP A 66 -5.924 13.922 5.353 1.00 0.00 O ATOM 956 CB TRP A 66 -4.023 11.359 4.116 1.00 0.00 C ATOM 957 CG TRP A 66 -2.695 10.807 3.676 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.568 11.495 3.324 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.372 9.419 3.544 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.563 10.612 2.988 1.00 0.00 N ATOM 961 CE2 TRP A 66 -1.033 9.333 3.124 1.00 0.00 C ATOM 962 CE3 TRP A 66 -3.093 8.240 3.752 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.401 8.109 2.903 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.469 7.030 3.531 1.00 0.00 C ATOM 965 CH2 TRP A 66 -1.132 6.972 3.116 1.00 0.00 C ATOM 0 H TRP A 66 -2.886 12.838 5.784 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.831 13.261 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.226 11.005 5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.799 10.946 3.471 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.478 12.571 3.311 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.377 10.870 2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.121 8.276 4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.627 8.061 2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.020 6.113 3.680 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.668 6.009 2.961 1.00 0.00 H new ATOM 976 N ASN A 67 -6.480 12.843 3.462 1.00 0.00 N ATOM 977 CA ASN A 67 -7.905 13.117 3.589 1.00 0.00 C ATOM 978 C ASN A 67 -8.559 12.101 4.522 1.00 0.00 C ATOM 979 O ASN A 67 -8.057 10.985 4.673 1.00 0.00 O ATOM 980 CB ASN A 67 -8.577 13.064 2.215 1.00 0.00 C ATOM 981 CG ASN A 67 -7.951 14.017 1.218 1.00 0.00 C ATOM 982 OD1 ASN A 67 -7.012 13.658 0.509 1.00 0.00 O ATOM 983 ND2 ASN A 67 -8.464 15.235 1.156 1.00 0.00 N ATOM 0 H ASN A 67 -6.229 12.304 2.634 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.029 14.115 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.518 12.048 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.635 13.303 2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.080 15.917 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.243 15.492 1.762 1.00 0.00 H new ATOM 990 N PRO A 68 -9.684 12.473 5.159 1.00 0.00 N ATOM 991 CA PRO A 68 -10.425 11.586 6.068 1.00 0.00 C ATOM 992 C PRO A 68 -10.804 10.262 5.414 1.00 0.00 C ATOM 993 O PRO A 68 -10.394 9.196 5.872 1.00 0.00 O ATOM 994 CB PRO A 68 -11.687 12.387 6.424 1.00 0.00 C ATOM 995 CG PRO A 68 -11.742 13.505 5.436 1.00 0.00 C ATOM 996 CD PRO A 68 -10.318 13.795 5.064 1.00 0.00 C ATOM 0 HA PRO A 68 -9.823 11.314 6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.579 11.763 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.636 12.767 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.325 13.223 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.220 14.384 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.238 14.211 4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.860 14.514 5.744 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.577 10.339 4.334 1.00 0.00 N ATOM 1005 CA GLU A 69 -12.005 9.151 3.598 1.00 0.00 C ATOM 1006 C GLU A 69 -10.805 8.382 3.059 1.00 0.00 C ATOM 1007 O GLU A 69 -10.818 7.154 2.987 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.902 9.547 2.429 1.00 0.00 C ATOM 1009 CG GLU A 69 -14.227 10.171 2.830 1.00 0.00 C ATOM 1010 CD GLU A 69 -15.170 9.180 3.477 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.534 8.186 2.816 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.564 9.407 4.638 1.00 0.00 O ATOM 0 H GLU A 69 -11.922 11.217 3.947 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.557 8.514 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.361 10.250 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.101 8.662 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.042 10.994 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.704 10.597 1.948 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.768 9.122 2.694 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.574 8.543 2.101 1.00 0.00 C ATOM 1021 C PHE A 70 -7.858 7.649 3.108 1.00 0.00 C ATOM 1022 O PHE A 70 -7.660 6.459 2.863 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.657 9.670 1.618 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.392 9.215 0.956 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.378 8.099 0.138 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.217 9.921 1.141 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.216 7.697 -0.483 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.051 9.521 0.526 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.051 8.408 -0.287 1.00 0.00 C ATOM 0 H PHE A 70 -9.731 10.136 2.800 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.853 7.923 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.212 10.295 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.398 10.298 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.288 7.537 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.214 10.796 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.217 6.826 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.139 10.078 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.138 8.093 -0.771 1.00 0.00 H new ATOM 1039 N THR A 71 -7.499 8.225 4.245 1.00 0.00 N ATOM 1040 CA THR A 71 -6.813 7.491 5.299 1.00 0.00 C ATOM 1041 C THR A 71 -7.686 6.351 5.824 1.00 0.00 C ATOM 1042 O THR A 71 -7.206 5.248 6.087 1.00 0.00 O ATOM 1043 CB THR A 71 -6.457 8.431 6.470 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.860 9.633 5.960 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.502 7.760 7.450 1.00 0.00 C ATOM 0 H THR A 71 -7.673 9.206 4.463 1.00 0.00 H new ATOM 0 HA THR A 71 -5.899 7.077 4.873 1.00 0.00 H new ATOM 0 HB THR A 71 -7.377 8.671 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.562 10.237 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.271 8.449 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.969 6.863 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.582 7.488 6.933 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.978 6.633 5.946 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.943 5.691 6.500 1.00 0.00 C ATOM 1055 C LYS A 72 -10.024 4.416 5.666 1.00 0.00 C ATOM 1056 O LYS A 72 -9.812 3.311 6.173 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.319 6.352 6.543 1.00 0.00 C ATOM 1058 CG LYS A 72 -12.277 5.730 7.542 1.00 0.00 C ATOM 1059 CD LYS A 72 -13.672 6.310 7.393 1.00 0.00 C ATOM 1060 CE LYS A 72 -14.484 6.151 8.668 1.00 0.00 C ATOM 1061 NZ LYS A 72 -13.997 7.058 9.738 1.00 0.00 N ATOM 0 H LYS A 72 -9.387 7.524 5.663 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.617 5.419 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.195 7.408 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.765 6.302 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.311 4.650 7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.914 5.903 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.602 7.367 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.186 5.815 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.533 6.361 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.427 5.118 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.736 7.170 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.144 6.654 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.769 7.987 9.329 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.331 4.576 4.386 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.584 3.447 3.510 1.00 0.00 C ATOM 1077 C LYS A 73 -9.325 2.633 3.248 1.00 0.00 C ATOM 1078 O LYS A 73 -9.344 1.410 3.367 1.00 0.00 O ATOM 1079 CB LYS A 73 -11.188 3.938 2.197 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.565 4.551 2.370 1.00 0.00 C ATOM 1081 CD LYS A 73 -13.145 5.041 1.055 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.502 5.679 1.275 1.00 0.00 C ATOM 1083 NZ LYS A 73 -15.128 6.149 0.011 1.00 0.00 N ATOM 0 H LYS A 73 -10.411 5.485 3.931 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.292 2.787 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.521 4.676 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.253 3.103 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.237 3.813 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.505 5.384 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.467 5.763 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.238 4.207 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.163 4.959 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.396 6.522 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.926 6.778 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.424 6.667 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.472 5.331 -0.531 1.00 0.00 H new ATOM 1097 N VAL A 74 -8.231 3.308 2.917 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.991 2.617 2.577 1.00 0.00 C ATOM 1099 C VAL A 74 -6.482 1.793 3.761 1.00 0.00 C ATOM 1100 O VAL A 74 -6.011 0.667 3.586 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.890 3.599 2.116 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.591 2.860 1.811 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -6.349 4.385 0.897 1.00 0.00 C ATOM 0 H VAL A 74 -8.176 4.326 2.876 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.220 1.949 1.747 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.702 4.298 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.833 3.574 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.246 2.345 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.764 2.132 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.560 5.071 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.571 3.696 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.246 4.952 1.146 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.601 2.346 4.964 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.201 1.633 6.169 1.00 0.00 C ATOM 1115 C ALA A 75 -7.069 0.397 6.368 1.00 0.00 C ATOM 1116 O ALA A 75 -6.597 -0.639 6.839 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.284 2.539 7.389 1.00 0.00 C ATOM 0 H ALA A 75 -6.970 3.283 5.129 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.165 1.318 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.980 1.983 8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.622 3.395 7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.309 2.889 7.513 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.343 0.513 5.995 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.253 -0.614 6.081 1.00 0.00 C ATOM 1125 C GLY A 76 -8.868 -1.733 5.133 1.00 0.00 C ATOM 1126 O GLY A 76 -8.998 -2.912 5.469 1.00 0.00 O ATOM 0 H GLY A 76 -8.760 1.371 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.264 -0.993 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.265 -0.280 5.854 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.396 -1.368 3.947 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.948 -2.357 2.976 1.00 0.00 C ATOM 1132 C TRP A 77 -6.674 -3.022 3.476 1.00 0.00 C ATOM 1133 O TRP A 77 -6.537 -4.245 3.420 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.687 -1.719 1.606 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.813 -0.854 1.112 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -10.138 -0.976 1.415 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.710 0.258 0.212 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.860 0.007 0.785 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -10.009 0.775 0.037 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.648 0.874 -0.451 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.274 1.874 -0.777 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.910 1.964 -1.263 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -9.213 2.458 -1.416 1.00 0.00 C ATOM 0 H TRP A 77 -8.314 -0.400 3.636 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.738 -3.099 2.861 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.779 -1.119 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.502 -2.509 0.878 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.558 -1.736 2.057 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.868 0.143 0.862 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.639 0.507 -0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.279 2.251 -0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.096 2.442 -1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.383 3.316 -2.050 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.759 -2.202 3.983 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.498 -2.689 4.531 1.00 0.00 C ATOM 1156 C ALA A 78 -4.743 -3.653 5.687 1.00 0.00 C ATOM 1157 O ALA A 78 -4.063 -4.667 5.811 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.633 -1.524 4.987 1.00 0.00 C ATOM 0 H ALA A 78 -5.869 -1.189 4.026 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.971 -3.229 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.696 -1.904 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.423 -0.873 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.159 -0.959 5.756 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.721 -3.324 6.527 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.145 -4.200 7.620 1.00 0.00 C ATOM 1166 C GLU A 79 -6.481 -5.592 7.094 1.00 0.00 C ATOM 1167 O GLU A 79 -5.938 -6.592 7.565 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.359 -3.582 8.330 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.137 -4.535 9.236 1.00 0.00 C ATOM 1170 CD GLU A 79 -7.341 -5.040 10.424 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -7.091 -4.250 11.358 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -7.010 -6.243 10.450 1.00 0.00 O ATOM 0 H GLU A 79 -6.241 -2.448 6.471 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.327 -4.300 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.019 -2.736 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.039 -3.187 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.031 -4.027 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.473 -5.388 8.647 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.351 -5.645 6.094 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.803 -6.911 5.529 1.00 0.00 C ATOM 1181 C LYS A 80 -6.648 -7.678 4.884 1.00 0.00 C ATOM 1182 O LYS A 80 -6.570 -8.908 4.988 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.916 -6.654 4.513 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.160 -6.051 5.148 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.229 -5.698 4.127 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.493 -5.197 4.818 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.508 -4.683 3.859 1.00 0.00 N ATOM 0 H LYS A 80 -7.760 -4.821 5.655 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.193 -7.529 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.547 -5.983 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.180 -7.592 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.572 -6.756 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.882 -5.154 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.852 -4.932 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.463 -6.573 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.929 -6.008 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.229 -4.406 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.345 -4.356 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.106 -3.890 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.784 -5.443 3.205 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.752 -6.948 4.239 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.594 -7.554 3.587 1.00 0.00 C ATOM 1203 C VAL A 81 -3.593 -8.092 4.611 1.00 0.00 C ATOM 1204 O VAL A 81 -3.108 -9.217 4.482 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.873 -6.551 2.655 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.642 -7.188 2.022 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.815 -6.045 1.574 1.00 0.00 C ATOM 0 H VAL A 81 -5.802 -5.933 4.151 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.975 -8.382 2.989 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.552 -5.703 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.152 -6.464 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.950 -7.499 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.942 -8.057 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.286 -5.341 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.170 -6.886 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.665 -5.545 2.037 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.297 -7.289 5.627 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.302 -7.654 6.633 1.00 0.00 C ATOM 1219 C ALA A 82 -2.758 -8.848 7.464 1.00 0.00 C ATOM 1220 O ALA A 82 -1.981 -9.769 7.720 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.003 -6.466 7.534 1.00 0.00 C ATOM 0 H ALA A 82 -3.732 -6.379 5.777 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.390 -7.942 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.260 -6.752 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.617 -5.642 6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.918 -6.151 8.036 1.00 0.00 H new ATOM 1227 N SER A 83 -4.016 -8.828 7.881 1.00 0.00 N ATOM 1228 CA SER A 83 -4.569 -9.916 8.680 1.00 0.00 C ATOM 1229 C SER A 83 -4.661 -11.204 7.863 1.00 0.00 C ATOM 1230 O SER A 83 -4.519 -12.307 8.399 1.00 0.00 O ATOM 1231 CB SER A 83 -5.941 -9.525 9.222 1.00 0.00 C ATOM 1232 OG SER A 83 -6.760 -8.981 8.198 1.00 0.00 O ATOM 0 H SER A 83 -4.673 -8.073 7.681 1.00 0.00 H new ATOM 0 HA SER A 83 -3.899 -10.100 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.427 -10.400 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.824 -8.796 10.024 1.00 0.00 H new ATOM 0 HG SER A 83 -6.582 -8.021 8.112 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.897 -11.061 6.567 1.00 0.00 N ATOM 1239 CA GLY A 84 -4.933 -12.210 5.692 1.00 0.00 C ATOM 1240 C GLY A 84 -6.339 -12.675 5.402 1.00 0.00 C ATOM 1241 O GLY A 84 -6.635 -13.871 5.471 1.00 0.00 O ATOM 0 H GLY A 84 -5.064 -10.166 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.435 -11.964 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.371 -13.026 6.146 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.218 -11.737 5.090 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.568 -12.083 4.677 1.00 0.00 C ATOM 1247 C ASN A 85 -8.667 -12.033 3.165 1.00 0.00 C ATOM 1248 O ASN A 85 -7.775 -11.510 2.489 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.610 -11.151 5.299 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.772 -11.359 6.796 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -10.589 -12.169 7.235 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.011 -10.628 7.596 1.00 0.00 N ATOM 0 H ASN A 85 -7.023 -10.736 5.114 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.777 -13.093 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.323 -10.116 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.571 -11.310 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.092 -10.727 8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.344 -9.966 7.200 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.744 -12.568 2.628 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.908 -12.614 1.193 1.00 0.00 C ATOM 1261 C ARG A 86 -10.645 -11.386 0.688 1.00 0.00 C ATOM 1262 O ARG A 86 -11.669 -10.977 1.242 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.640 -13.884 0.770 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.050 -13.978 1.305 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.716 -15.256 0.841 1.00 0.00 C ATOM 1266 NE ARG A 86 -14.110 -15.339 1.265 1.00 0.00 N ATOM 1267 CZ ARG A 86 -14.513 -15.929 2.389 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -13.626 -16.450 3.224 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -15.802 -15.981 2.688 1.00 0.00 N ATOM 0 H ARG A 86 -10.513 -12.974 3.161 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.914 -12.623 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.670 -13.930 -0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.073 -14.750 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.033 -13.946 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.629 -13.118 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.665 -15.316 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.167 -16.112 1.233 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.819 -14.919 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.631 -16.400 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.939 -16.901 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.489 -15.569 2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.108 -16.433 3.549 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.093 -10.791 -0.351 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.709 -9.662 -1.027 1.00 0.00 C ATOM 1285 C ILE A 87 -10.538 -9.815 -2.527 1.00 0.00 C ATOM 1286 O ILE A 87 -9.529 -9.412 -3.107 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.136 -8.301 -0.561 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.609 -8.339 -0.531 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.684 -7.925 0.805 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.980 -7.076 0.019 1.00 0.00 C ATOM 0 H ILE A 87 -9.200 -11.077 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.768 -9.663 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.447 -7.540 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.287 -9.187 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.239 -8.508 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.268 -6.966 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.770 -7.850 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.408 -8.690 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.895 -7.176 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.271 -6.226 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.321 -6.916 1.042 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.511 -10.459 -3.138 1.00 0.00 N ATOM 1303 CA LEU A 88 -11.475 -10.720 -4.566 1.00 0.00 C ATOM 1304 C LEU A 88 -11.674 -9.431 -5.348 1.00 0.00 C ATOM 1305 O LEU A 88 -12.754 -8.839 -5.333 1.00 0.00 O ATOM 1306 CB LEU A 88 -12.539 -11.747 -4.977 1.00 0.00 C ATOM 1307 CG LEU A 88 -12.308 -13.186 -4.489 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -12.639 -13.328 -3.009 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -13.126 -14.163 -5.321 1.00 0.00 C ATOM 0 H LEU A 88 -12.343 -10.814 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.494 -11.134 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.506 -11.409 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.603 -11.759 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 88 -11.251 -13.421 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -12.465 -14.357 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.004 -12.659 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.685 -13.070 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -12.953 -15.178 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.185 -13.922 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -12.827 -14.090 -6.367 1.00 0.00 H new ATOM 1321 N ILE A 89 -10.621 -8.991 -6.010 1.00 0.00 N ATOM 1322 CA ILE A 89 -10.692 -7.801 -6.828 1.00 0.00 C ATOM 1323 C ILE A 89 -11.344 -8.136 -8.171 1.00 0.00 C ATOM 1324 O ILE A 89 -10.715 -8.684 -9.078 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.297 -7.146 -7.010 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.387 -5.920 -7.925 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -8.280 -8.149 -7.541 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.092 -5.141 -8.025 1.00 0.00 C ATOM 0 H ILE A 89 -9.706 -9.442 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.312 -7.064 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.954 -6.814 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.685 -6.243 -8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.171 -5.259 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.313 -7.660 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -8.185 -8.977 -6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.613 -8.529 -8.507 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.231 -4.288 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.803 -4.787 -7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.309 -5.786 -8.423 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.632 -7.832 -8.265 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.434 -8.179 -9.435 1.00 0.00 C ATOM 1342 C LYS A 90 -12.998 -7.407 -10.678 1.00 0.00 C ATOM 1343 O LYS A 90 -13.384 -7.751 -11.794 1.00 0.00 O ATOM 1344 CB LYS A 90 -14.932 -7.948 -9.167 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.307 -6.517 -8.794 1.00 0.00 C ATOM 1346 CD LYS A 90 -15.033 -6.210 -7.328 1.00 0.00 C ATOM 1347 CE LYS A 90 -15.502 -4.813 -6.949 1.00 0.00 C ATOM 1348 NZ LYS A 90 -16.983 -4.674 -7.015 1.00 0.00 N ATOM 0 H LYS A 90 -13.150 -7.340 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.270 -9.239 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -15.493 -8.235 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -15.248 -8.612 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.746 -5.822 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.364 -6.354 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.537 -6.946 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.965 -6.302 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.163 -4.580 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.041 -4.085 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.269 -3.784 -6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.287 -4.667 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.429 -5.474 -6.522 1.00 0.00 H new ATOM 1362 N ASN A 91 -12.198 -6.367 -10.488 1.00 0.00 N ATOM 1363 CA ASN A 91 -11.694 -5.591 -11.611 1.00 0.00 C ATOM 1364 C ASN A 91 -10.292 -5.049 -11.338 1.00 0.00 C ATOM 1365 O ASN A 91 -10.121 -3.981 -10.760 1.00 0.00 O ATOM 1366 CB ASN A 91 -12.675 -4.463 -11.996 1.00 0.00 C ATOM 1367 CG ASN A 91 -13.255 -3.682 -10.815 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -14.452 -3.401 -10.785 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -12.424 -3.282 -9.865 1.00 0.00 N ATOM 0 H ASN A 91 -11.886 -6.043 -9.573 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.616 -6.264 -12.465 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.162 -3.765 -12.657 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.497 -4.895 -12.566 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.772 -2.727 -9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.436 -3.529 -9.915 1.00 0.00 H new ATOM 1376 N PRO A 92 -9.257 -5.818 -11.709 1.00 0.00 N ATOM 1377 CA PRO A 92 -7.869 -5.362 -11.620 1.00 0.00 C ATOM 1378 C PRO A 92 -7.636 -4.161 -12.527 1.00 0.00 C ATOM 1379 O PRO A 92 -7.413 -3.050 -12.048 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.050 -6.573 -12.092 1.00 0.00 C ATOM 1381 CG PRO A 92 -7.976 -7.736 -11.970 1.00 0.00 C ATOM 1382 CD PRO A 92 -9.353 -7.193 -12.220 1.00 0.00 C ATOM 0 HA PRO A 92 -7.596 -5.038 -10.616 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.711 -6.444 -13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.160 -6.711 -11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.725 -8.513 -12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.908 -8.188 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.610 -7.214 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.116 -7.768 -11.695 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.704 -4.415 -13.834 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.701 -3.376 -14.869 1.00 0.00 C ATOM 1392 C GLU A 93 -6.486 -2.447 -14.804 1.00 0.00 C ATOM 1393 O GLU A 93 -5.511 -2.635 -15.528 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.996 -2.559 -14.800 1.00 0.00 C ATOM 1395 CG GLU A 93 -10.256 -3.404 -14.905 1.00 0.00 C ATOM 1396 CD GLU A 93 -10.265 -4.287 -16.136 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -10.596 -3.787 -17.231 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -9.938 -5.486 -16.018 1.00 0.00 O ATOM 0 H GLU A 93 -7.764 -5.361 -14.211 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.637 -3.896 -15.825 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.017 -2.006 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.994 -1.823 -15.604 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.346 -4.027 -14.015 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.127 -2.749 -14.926 1.00 0.00 H new ATOM 1405 N TYR A 94 -6.539 -1.464 -13.918 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.564 -0.380 -13.893 1.00 0.00 C ATOM 1407 C TYR A 94 -4.324 -0.738 -13.077 1.00 0.00 C ATOM 1408 O TYR A 94 -3.624 0.143 -12.578 1.00 0.00 O ATOM 1409 CB TYR A 94 -6.219 0.878 -13.323 1.00 0.00 C ATOM 1410 CG TYR A 94 -7.442 1.323 -14.096 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -7.321 2.140 -15.211 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -8.717 0.925 -13.711 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -8.434 2.548 -15.921 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -9.834 1.330 -14.415 1.00 0.00 C ATOM 1415 CZ TYR A 94 -9.688 2.140 -15.518 1.00 0.00 C ATOM 1416 OH TYR A 94 -10.798 2.547 -16.221 1.00 0.00 O ATOM 0 H TYR A 94 -7.257 -1.394 -13.197 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.236 -0.202 -14.917 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.501 0.694 -12.286 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.489 1.687 -13.316 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.341 2.462 -15.529 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.836 0.288 -12.847 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.322 3.183 -16.787 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.818 1.013 -14.101 1.00 0.00 H new ATOM 0 HH TYR A 94 -11.603 2.171 -15.807 1.00 0.00 H new ATOM 1426 N PHE A 95 -4.046 -2.025 -12.945 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.843 -2.464 -12.259 1.00 0.00 C ATOM 1428 C PHE A 95 -1.762 -2.784 -13.286 1.00 0.00 C ATOM 1429 O PHE A 95 -1.811 -3.815 -13.959 1.00 0.00 O ATOM 1430 CB PHE A 95 -3.139 -3.678 -11.377 1.00 0.00 C ATOM 1431 CG PHE A 95 -2.065 -3.959 -10.365 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.541 -2.932 -9.596 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -1.590 -5.244 -10.174 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.559 -3.182 -8.658 1.00 0.00 C ATOM 1435 CE2 PHE A 95 -0.606 -5.502 -9.237 1.00 0.00 C ATOM 1436 CZ PHE A 95 -0.090 -4.469 -8.478 1.00 0.00 C ATOM 0 H PHE A 95 -4.633 -2.779 -13.301 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.486 -1.664 -11.610 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.084 -3.518 -10.858 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.268 -4.555 -12.011 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.905 -1.924 -9.732 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.992 -6.055 -10.763 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.158 -2.373 -8.066 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.241 -6.509 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.678 -4.667 -7.745 1.00 0.00 H new ATOM 1446 N SER A 96 -0.802 -1.880 -13.413 1.00 0.00 N ATOM 1447 CA SER A 96 0.215 -1.973 -14.450 1.00 0.00 C ATOM 1448 C SER A 96 1.300 -2.986 -14.095 1.00 0.00 C ATOM 1449 O SER A 96 1.513 -3.310 -12.922 1.00 0.00 O ATOM 1450 CB SER A 96 0.840 -0.593 -14.687 1.00 0.00 C ATOM 1451 OG SER A 96 1.936 -0.667 -15.582 1.00 0.00 O ATOM 0 H SER A 96 -0.706 -1.067 -12.805 1.00 0.00 H new ATOM 0 HA SER A 96 -0.270 -2.320 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.087 0.085 -15.088 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.172 -0.175 -13.737 1.00 0.00 H new ATOM 0 HG SER A 96 2.312 0.228 -15.714 1.00 0.00 H new ATOM 1457 N THR A 97 1.985 -3.472 -15.125 1.00 0.00 N ATOM 1458 CA THR A 97 3.085 -4.408 -14.963 1.00 0.00 C ATOM 1459 C THR A 97 4.242 -3.738 -14.244 1.00 0.00 C ATOM 1460 O THR A 97 4.825 -4.292 -13.315 1.00 0.00 O ATOM 1461 CB THR A 97 3.560 -4.944 -16.336 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.484 -6.026 -16.163 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.201 -3.862 -17.202 1.00 0.00 C ATOM 0 H THR A 97 1.791 -3.226 -16.096 1.00 0.00 H new ATOM 0 HA THR A 97 2.730 -5.249 -14.367 1.00 0.00 H new ATOM 0 HB THR A 97 2.668 -5.297 -16.854 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.399 -5.676 -16.148 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.515 -4.295 -18.152 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.478 -3.068 -17.386 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.069 -3.450 -16.687 1.00 0.00 H new ATOM 1471 N TYR A 98 4.539 -2.523 -14.672 1.00 0.00 N ATOM 1472 CA TYR A 98 5.646 -1.754 -14.116 1.00 0.00 C ATOM 1473 C TYR A 98 5.417 -1.463 -12.636 1.00 0.00 C ATOM 1474 O TYR A 98 6.366 -1.300 -11.877 1.00 0.00 O ATOM 1475 CB TYR A 98 5.860 -0.445 -14.887 1.00 0.00 C ATOM 1476 CG TYR A 98 7.155 0.249 -14.522 1.00 0.00 C ATOM 1477 CD1 TYR A 98 8.375 -0.269 -14.938 1.00 0.00 C ATOM 1478 CD2 TYR A 98 7.163 1.407 -13.755 1.00 0.00 C ATOM 1479 CE1 TYR A 98 9.564 0.346 -14.601 1.00 0.00 C ATOM 1480 CE2 TYR A 98 8.351 2.028 -13.412 1.00 0.00 C ATOM 1481 CZ TYR A 98 9.548 1.495 -13.839 1.00 0.00 C ATOM 1482 OH TYR A 98 10.734 2.105 -13.495 1.00 0.00 O ATOM 0 H TYR A 98 4.025 -2.042 -15.410 1.00 0.00 H new ATOM 0 HA TYR A 98 6.547 -2.359 -14.217 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.855 -0.654 -15.957 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.025 0.228 -14.690 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.394 -1.169 -15.535 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.227 1.829 -13.421 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.503 -0.071 -14.933 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.340 2.926 -12.812 1.00 0.00 H new ATOM 0 HH TYR A 98 10.548 2.903 -12.958 1.00 0.00 H new ATOM 1492 N MET A 99 4.154 -1.410 -12.232 1.00 0.00 N ATOM 1493 CA MET A 99 3.812 -1.238 -10.824 1.00 0.00 C ATOM 1494 C MET A 99 4.291 -2.442 -10.031 1.00 0.00 C ATOM 1495 O MET A 99 4.941 -2.303 -8.993 1.00 0.00 O ATOM 1496 CB MET A 99 2.302 -1.076 -10.649 1.00 0.00 C ATOM 1497 CG MET A 99 1.749 0.205 -11.244 1.00 0.00 C ATOM 1498 SD MET A 99 -0.052 0.231 -11.243 1.00 0.00 S ATOM 1499 CE MET A 99 -0.376 1.863 -11.902 1.00 0.00 C ATOM 0 H MET A 99 3.351 -1.483 -12.857 1.00 0.00 H new ATOM 0 HA MET A 99 4.303 -0.337 -10.456 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.799 -1.926 -11.110 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.064 -1.104 -9.586 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.124 1.058 -10.678 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.112 0.316 -12.266 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.452 2.018 -11.977 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.053 2.615 -11.240 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.073 1.952 -12.891 1.00 0.00 H new ATOM 1509 N GLN A 100 3.983 -3.625 -10.551 1.00 0.00 N ATOM 1510 CA GLN A 100 4.416 -4.874 -9.943 1.00 0.00 C ATOM 1511 C GLN A 100 5.933 -4.956 -9.952 1.00 0.00 C ATOM 1512 O GLN A 100 6.561 -5.230 -8.932 1.00 0.00 O ATOM 1513 CB GLN A 100 3.848 -6.067 -10.713 1.00 0.00 C ATOM 1514 CG GLN A 100 2.348 -6.008 -10.920 1.00 0.00 C ATOM 1515 CD GLN A 100 1.836 -7.165 -11.753 1.00 0.00 C ATOM 1516 OE1 GLN A 100 2.393 -8.263 -11.722 1.00 0.00 O ATOM 1517 NE2 GLN A 100 0.785 -6.924 -12.517 1.00 0.00 N ATOM 0 H GLN A 100 3.430 -3.743 -11.400 1.00 0.00 H new ATOM 0 HA GLN A 100 4.051 -4.901 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.337 -6.125 -11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.095 -6.983 -10.177 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.849 -6.013 -9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.088 -5.069 -11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.353 -6.000 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.406 -7.662 -13.110 1.00 0.00 H new ATOM 1526 N GLU A 101 6.505 -4.707 -11.123 1.00 0.00 N ATOM 1527 CA GLU A 101 7.944 -4.778 -11.320 1.00 0.00 C ATOM 1528 C GLU A 101 8.679 -3.811 -10.399 1.00 0.00 C ATOM 1529 O GLU A 101 9.699 -4.166 -9.821 1.00 0.00 O ATOM 1530 CB GLU A 101 8.288 -4.492 -12.780 1.00 0.00 C ATOM 1531 CG GLU A 101 7.755 -5.548 -13.733 1.00 0.00 C ATOM 1532 CD GLU A 101 8.014 -5.215 -15.184 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.199 -5.158 -15.583 1.00 0.00 O ATOM 1534 OE2 GLU A 101 7.034 -5.024 -15.938 1.00 0.00 O ATOM 0 H GLU A 101 5.984 -4.450 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 101 8.271 -5.787 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.882 -3.520 -13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.371 -4.428 -12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.215 -6.508 -13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.682 -5.662 -13.578 1.00 0.00 H new ATOM 1541 N GLN A 102 8.151 -2.600 -10.253 1.00 0.00 N ATOM 1542 CA GLN A 102 8.743 -1.604 -9.360 1.00 0.00 C ATOM 1543 C GLN A 102 8.894 -2.164 -7.955 1.00 0.00 C ATOM 1544 O GLN A 102 9.987 -2.174 -7.387 1.00 0.00 O ATOM 1545 CB GLN A 102 7.861 -0.359 -9.300 1.00 0.00 C ATOM 1546 CG GLN A 102 8.422 0.766 -8.437 1.00 0.00 C ATOM 1547 CD GLN A 102 9.574 1.529 -9.077 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.353 0.869 -9.925 1.00 0.00 O flip ATOM 1549 NE2 GLN A 102 9.757 2.712 -8.807 1.00 0.00 N flip ATOM 0 H GLN A 102 7.314 -2.282 -10.741 1.00 0.00 H new ATOM 0 HA GLN A 102 9.726 -1.344 -9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.712 0.016 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.880 -0.641 -8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.620 1.467 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.760 0.347 -7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.138 3.187 -8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.528 3.220 -9.239 1.00 0.00 H new ATOM 1558 N LEU A 103 7.778 -2.619 -7.412 1.00 0.00 N ATOM 1559 CA LEU A 103 7.735 -3.192 -6.071 1.00 0.00 C ATOM 1560 C LEU A 103 8.631 -4.420 -5.967 1.00 0.00 C ATOM 1561 O LEU A 103 9.390 -4.571 -5.010 1.00 0.00 O ATOM 1562 CB LEU A 103 6.299 -3.571 -5.712 1.00 0.00 C ATOM 1563 CG LEU A 103 5.283 -2.431 -5.800 1.00 0.00 C ATOM 1564 CD1 LEU A 103 3.882 -2.955 -5.542 1.00 0.00 C ATOM 1565 CD2 LEU A 103 5.628 -1.322 -4.816 1.00 0.00 C ATOM 0 H LEU A 103 6.875 -2.603 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 103 8.101 -2.441 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.976 -4.375 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.288 -3.969 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 103 5.320 -2.014 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.169 -2.134 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.634 -3.712 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.836 -3.397 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.892 -0.522 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.621 -1.721 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.618 -0.928 -5.044 1.00 0.00 H new ATOM 1577 N LYS A 104 8.545 -5.289 -6.967 1.00 0.00 N ATOM 1578 CA LYS A 104 9.298 -6.538 -6.976 1.00 0.00 C ATOM 1579 C LYS A 104 10.801 -6.269 -7.031 1.00 0.00 C ATOM 1580 O LYS A 104 11.570 -6.844 -6.258 1.00 0.00 O ATOM 1581 CB LYS A 104 8.869 -7.396 -8.170 1.00 0.00 C ATOM 1582 CG LYS A 104 9.415 -8.815 -8.138 1.00 0.00 C ATOM 1583 CD LYS A 104 8.895 -9.627 -9.311 1.00 0.00 C ATOM 1584 CE LYS A 104 9.305 -11.087 -9.211 1.00 0.00 C ATOM 1585 NZ LYS A 104 8.781 -11.729 -7.977 1.00 0.00 N ATOM 0 H LYS A 104 7.956 -5.150 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 104 9.084 -7.077 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.780 -7.437 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.198 -6.912 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.504 -8.790 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.129 -9.297 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.808 -9.556 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.275 -9.206 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.939 -11.627 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.392 -11.160 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.811 -12.763 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.366 -11.448 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.799 -11.426 -7.818 1.00 0.00 H new ATOM 1599 N GLU A 105 11.212 -5.386 -7.938 1.00 0.00 N ATOM 1600 CA GLU A 105 12.622 -5.045 -8.092 1.00 0.00 C ATOM 1601 C GLU A 105 13.150 -4.355 -6.842 1.00 0.00 C ATOM 1602 O GLU A 105 14.299 -4.545 -6.469 1.00 0.00 O ATOM 1603 CB GLU A 105 12.845 -4.141 -9.309 1.00 0.00 C ATOM 1604 CG GLU A 105 12.517 -4.804 -10.638 1.00 0.00 C ATOM 1605 CD GLU A 105 13.333 -6.052 -10.898 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.532 -5.927 -11.228 1.00 0.00 O ATOM 1607 OE2 GLU A 105 12.773 -7.161 -10.805 1.00 0.00 O ATOM 0 H GLU A 105 10.588 -4.894 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 105 13.168 -5.976 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.234 -3.245 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.886 -3.817 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.458 -5.060 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.688 -4.091 -11.445 1.00 0.00 H new ATOM 1614 N LEU A 106 12.298 -3.572 -6.192 1.00 0.00 N ATOM 1615 CA LEU A 106 12.681 -2.869 -4.973 1.00 0.00 C ATOM 1616 C LEU A 106 13.135 -3.877 -3.916 1.00 0.00 C ATOM 1617 O LEU A 106 14.191 -3.718 -3.301 1.00 0.00 O ATOM 1618 CB LEU A 106 11.497 -2.033 -4.460 1.00 0.00 C ATOM 1619 CG LEU A 106 11.839 -0.896 -3.484 1.00 0.00 C ATOM 1620 CD1 LEU A 106 10.663 0.062 -3.364 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.207 -1.436 -2.107 1.00 0.00 C ATOM 0 H LEU A 106 11.336 -3.407 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 106 13.511 -2.195 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.984 -1.603 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.791 -2.704 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 106 12.703 -0.364 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.916 0.864 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.438 0.486 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.791 -0.477 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.443 -0.606 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.367 -1.999 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.075 -2.090 -2.193 1.00 0.00 H new ATOM 1633 N VAL A 107 12.343 -4.925 -3.730 1.00 0.00 N ATOM 1634 CA VAL A 107 12.670 -5.971 -2.768 1.00 0.00 C ATOM 1635 C VAL A 107 13.877 -6.781 -3.241 1.00 0.00 C ATOM 1636 O VAL A 107 14.741 -7.152 -2.443 1.00 0.00 O ATOM 1637 CB VAL A 107 11.472 -6.919 -2.535 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.813 -7.987 -1.503 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.245 -6.134 -2.102 1.00 0.00 C ATOM 0 H VAL A 107 11.468 -5.074 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 107 12.912 -5.480 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 107 11.249 -7.418 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.953 -8.641 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.661 -8.575 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.070 -7.510 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.412 -6.819 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.461 -5.604 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.980 -5.415 -2.878 1.00 0.00 H new ATOM 1649 N LEU A 108 13.936 -7.034 -4.545 1.00 0.00 N ATOM 1650 CA LEU A 108 15.025 -7.807 -5.135 1.00 0.00 C ATOM 1651 C LEU A 108 16.355 -7.072 -4.974 1.00 0.00 C ATOM 1652 O LEU A 108 17.347 -7.660 -4.536 1.00 0.00 O ATOM 1653 CB LEU A 108 14.726 -8.083 -6.617 1.00 0.00 C ATOM 1654 CG LEU A 108 15.649 -9.088 -7.322 1.00 0.00 C ATOM 1655 CD1 LEU A 108 14.946 -9.679 -8.533 1.00 0.00 C ATOM 1656 CD2 LEU A 108 16.952 -8.431 -7.757 1.00 0.00 C ATOM 0 H LEU A 108 13.239 -6.713 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 108 15.105 -8.761 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.701 -8.445 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.773 -7.138 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 108 15.885 -9.881 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.608 -10.390 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.038 -10.190 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.687 -8.881 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.583 -9.168 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.736 -7.616 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.471 -8.038 -6.883 1.00 0.00 H new ATOM 1668 N GLU A 109 16.365 -5.787 -5.314 1.00 0.00 N ATOM 1669 CA GLU A 109 17.565 -4.968 -5.203 1.00 0.00 C ATOM 1670 C GLU A 109 17.967 -4.787 -3.743 1.00 0.00 C ATOM 1671 O GLU A 109 19.146 -4.635 -3.430 1.00 0.00 O ATOM 1672 CB GLU A 109 17.351 -3.610 -5.878 1.00 0.00 C ATOM 1673 CG GLU A 109 17.146 -3.718 -7.382 1.00 0.00 C ATOM 1674 CD GLU A 109 16.976 -2.373 -8.058 1.00 0.00 C ATOM 1675 OE1 GLU A 109 17.959 -1.600 -8.103 1.00 0.00 O ATOM 1676 OE2 GLU A 109 15.877 -2.094 -8.581 1.00 0.00 O ATOM 0 H GLU A 109 15.550 -5.289 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 109 18.378 -5.483 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.484 -3.122 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.212 -2.972 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.999 -4.234 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.266 -4.331 -7.579 1.00 0.00 H new ATOM 1683 N HIS A 110 16.982 -4.813 -2.855 1.00 0.00 N ATOM 1684 CA HIS A 110 17.250 -4.824 -1.423 1.00 0.00 C ATOM 1685 C HIS A 110 17.971 -6.111 -1.036 1.00 0.00 C ATOM 1686 O HIS A 110 19.014 -6.065 -0.389 1.00 0.00 O ATOM 1687 CB HIS A 110 15.939 -4.674 -0.626 1.00 0.00 C ATOM 1688 CG HIS A 110 16.038 -5.104 0.813 1.00 0.00 C ATOM 1689 ND1 HIS A 110 16.890 -4.517 1.725 1.00 0.00 N ATOM 1690 CD2 HIS A 110 15.402 -6.096 1.484 1.00 0.00 C ATOM 1691 CE1 HIS A 110 16.773 -5.130 2.890 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.877 -6.089 2.770 1.00 0.00 N ATOM 0 H HIS A 110 15.992 -4.827 -3.100 1.00 0.00 H new ATOM 0 HA HIS A 110 17.893 -3.978 -1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 110 15.623 -3.631 -0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.161 -5.259 -1.115 1.00 0.00 H new ATOM 0 HD2 HIS A 110 14.659 -6.767 1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.320 -4.886 3.789 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.584 -6.723 3.513 1.00 0.00 H new TER 1701 HIS A 110