USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1076 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 36 THR OG1 : rot 170:sc= 0.372 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -147:sc= -0.941! (180deg=-3.65!) USER MOD Set 1.3: A 91 SER OG : rot 172:sc= 0.399 USER MOD Set 2.1: A 85 GLN : amide:sc= 0.378 K(o=1.1,f=0.25) USER MOD Set 2.2: A 88 CYS SG : rot -83:sc= 0.692 USER MOD Set 3.1: A 71 THR OG1 : rot 140:sc= 0.365 USER MOD Set 3.2: A 73 HIS : no HD1:sc= -10.4! C(o=-36!,f=-41!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -26.3! C(o=-36!,f=-50!) USER MOD Set 4.1: A 34 TYR OH : rot 120:sc= -3.25! USER MOD Set 4.2: A 64 HIS : no HD1:sc= -19.5! C(o=-23!,f=-23!) USER MOD Set 5.1: A 60 ASN : amide:sc= -6.61! C(o=-19!,f=-27!) USER MOD Set 5.2: A 65 ASN : amide:sc= -12.2! C(o=-19!,f=-20!) USER MOD Set 6.1: A 57 SER OG : rot -99:sc= 1.45 USER MOD Set 6.2: A 59 HIS : no HE2:sc= -9.14! C(o=-7.7!,f=-10!) USER MOD Set 7.1: A 50 LYS NZ :NH3+ -138:sc= -0.827 (180deg=-2.79!) USER MOD Set 7.2: A 83 TYR OH : rot -154:sc= -1.85! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 149:sc= -0.151 (180deg=-0.693) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.023 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -110:sc= -0.0632 USER MOD Single : A 20 HIS : no HD1:sc= -1.77! X(o=-1.8!,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 1.01 F(o=-0.018,f=1) USER MOD Single : A 27 THR OG1 : rot 39:sc= 0.532 USER MOD Single : A 30 CYS SG : rot -164:sc= -2.02! USER MOD Single : A 35 THR OG1 : rot -90:sc= -4.2! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 145:sc= -1.48! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.171 (180deg=-1.35) USER MOD Single : A 48 MET CE :methyl -158:sc= -2.08! (180deg=-2.7) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -65:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot 173:sc= -1.55! USER MOD Single : A 61 SER OG : rot 170:sc= -0.221 USER MOD Single : A 62 TYR OH : rot 165:sc= -0.371 USER MOD Single : A 63 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.036) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.0078) USER MOD Single : A 82 ASN : amide:sc= -2.96! C(o=-3!,f=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -37:sc= 1.07 USER MOD Single : A 95 CYS SG : rot -160:sc= -4.14! USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0655) USER MOD Single : A 99 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 166:sc= -1.3 (180deg=-1.73) USER MOD Single : A 105 TYR OH : rot 161:sc= 0.0199 USER MOD Single : A 106 SER OG : rot 109:sc= 1.24 USER MOD Single : A 109 THR OG1 : rot -49:sc= 1.13 USER MOD Single : A 114 SER OG : rot 180:sc=0.000792 USER MOD Single : A 119 SER OG : rot -48:sc= 0.0919 USER MOD Single : A 125 LYS NZ :NH3+ -150:sc= -1.71 (180deg=-2.25) USER MOD Single : A 127 HIS : no HD1:sc= -7.98! C(o=-8!,f=-7.6!) USER MOD Single : A 130 ASN :FLIP amide:sc= -0.823 F(o=-2.6,f=-0.82) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 110.226 -11.601 27.375 1.00 0.00 N ATOM 2 CA GLY A 1 108.750 -11.226 27.505 1.00 0.00 C ATOM 3 C GLY A 1 107.795 -11.629 26.432 1.00 0.00 C ATOM 4 O GLY A 1 107.686 -12.791 26.091 1.00 0.00 O ATOM 0 H1 GLY A 1 110.748 -11.247 28.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 110.318 -12.636 27.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 110.617 -11.176 26.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 108.387 -11.648 28.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 108.695 -10.142 27.601 1.00 0.00 H new ATOM 10 N SER A 2 107.083 -10.689 25.874 1.00 0.00 N ATOM 11 CA SER A 2 106.112 -11.031 24.797 1.00 0.00 C ATOM 12 C SER A 2 106.872 -11.476 23.546 1.00 0.00 C ATOM 13 O SER A 2 106.873 -12.638 23.190 1.00 0.00 O ATOM 14 CB SER A 2 105.264 -9.802 24.466 1.00 0.00 C ATOM 15 OG SER A 2 103.981 -9.943 25.060 1.00 0.00 O ATOM 0 H SER A 2 107.132 -9.700 26.117 1.00 0.00 H new ATOM 0 HA SER A 2 105.465 -11.840 25.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 105.751 -8.900 24.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 105.167 -9.693 23.386 1.00 0.00 H new ATOM 0 HG SER A 2 103.436 -9.156 24.851 1.00 0.00 H new ATOM 21 N LYS A 3 107.520 -10.562 22.877 1.00 0.00 N ATOM 22 CA LYS A 3 108.279 -10.936 21.650 1.00 0.00 C ATOM 23 C LYS A 3 109.218 -9.793 21.261 1.00 0.00 C ATOM 24 O LYS A 3 109.116 -8.694 21.767 1.00 0.00 O ATOM 25 CB LYS A 3 107.299 -11.203 20.505 1.00 0.00 C ATOM 26 CG LYS A 3 107.910 -12.214 19.534 1.00 0.00 C ATOM 27 CD LYS A 3 106.846 -13.232 19.117 1.00 0.00 C ATOM 28 CE LYS A 3 106.581 -14.196 20.274 1.00 0.00 C ATOM 29 NZ LYS A 3 105.210 -13.962 20.811 1.00 0.00 N ATOM 0 H LYS A 3 107.557 -9.574 23.127 1.00 0.00 H new ATOM 0 HA LYS A 3 108.864 -11.835 21.846 1.00 0.00 H new ATOM 0 HB2 LYS A 3 106.358 -11.585 20.900 1.00 0.00 H new ATOM 0 HB3 LYS A 3 107.071 -10.274 19.983 1.00 0.00 H new ATOM 0 HG2 LYS A 3 108.300 -11.700 18.656 1.00 0.00 H new ATOM 0 HG3 LYS A 3 108.751 -12.724 20.005 1.00 0.00 H new ATOM 0 HD2 LYS A 3 105.925 -12.719 18.839 1.00 0.00 H new ATOM 0 HD3 LYS A 3 107.180 -13.784 18.239 1.00 0.00 H new ATOM 0 HE2 LYS A 3 106.679 -15.227 19.933 1.00 0.00 H new ATOM 0 HE3 LYS A 3 107.321 -14.049 21.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 104.824 -14.855 21.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 105.253 -13.261 21.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 104.596 -13.606 20.051 1.00 0.00 H new ATOM 43 N VAL A 4 110.134 -10.046 20.364 1.00 0.00 N ATOM 44 CA VAL A 4 111.083 -8.980 19.940 1.00 0.00 C ATOM 45 C VAL A 4 110.328 -7.661 19.760 1.00 0.00 C ATOM 46 O VAL A 4 109.204 -7.637 19.298 1.00 0.00 O ATOM 47 CB VAL A 4 111.735 -9.378 18.614 1.00 0.00 C ATOM 48 CG1 VAL A 4 110.703 -9.280 17.489 1.00 0.00 C ATOM 49 CG2 VAL A 4 112.903 -8.434 18.317 1.00 0.00 C ATOM 0 H VAL A 4 110.265 -10.948 19.906 1.00 0.00 H new ATOM 0 HA VAL A 4 111.852 -8.855 20.703 1.00 0.00 H new ATOM 0 HB VAL A 4 112.103 -10.402 18.682 1.00 0.00 H new ATOM 0 HG11 VAL A 4 111.167 -9.563 16.544 1.00 0.00 H new ATOM 0 HG12 VAL A 4 109.870 -9.951 17.700 1.00 0.00 H new ATOM 0 HG13 VAL A 4 110.336 -8.256 17.420 1.00 0.00 H new ATOM 0 HG21 VAL A 4 113.368 -8.717 17.373 1.00 0.00 H new ATOM 0 HG22 VAL A 4 112.535 -7.410 18.248 1.00 0.00 H new ATOM 0 HG23 VAL A 4 113.639 -8.502 19.118 1.00 0.00 H new ATOM 59 N GLU A 5 110.935 -6.564 20.121 1.00 0.00 N ATOM 60 CA GLU A 5 110.249 -5.249 19.970 1.00 0.00 C ATOM 61 C GLU A 5 109.730 -5.109 18.537 1.00 0.00 C ATOM 62 O GLU A 5 110.493 -5.054 17.593 1.00 0.00 O ATOM 63 CB GLU A 5 111.237 -4.119 20.268 1.00 0.00 C ATOM 64 CG GLU A 5 110.864 -3.452 21.592 1.00 0.00 C ATOM 65 CD GLU A 5 111.813 -2.282 21.860 1.00 0.00 C ATOM 66 OE1 GLU A 5 112.140 -1.582 20.915 1.00 0.00 O ATOM 67 OE2 GLU A 5 112.198 -2.107 23.004 1.00 0.00 O ATOM 0 H GLU A 5 111.875 -6.521 20.514 1.00 0.00 H new ATOM 0 HA GLU A 5 109.414 -5.192 20.668 1.00 0.00 H new ATOM 0 HB2 GLU A 5 112.252 -4.513 20.320 1.00 0.00 H new ATOM 0 HB3 GLU A 5 111.221 -3.386 19.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 109.834 -3.097 21.555 1.00 0.00 H new ATOM 0 HG3 GLU A 5 110.923 -4.175 22.405 1.00 0.00 H new ATOM 74 N ASP A 6 108.438 -5.054 18.367 1.00 0.00 N ATOM 75 CA ASP A 6 107.872 -4.920 16.996 1.00 0.00 C ATOM 76 C ASP A 6 107.750 -3.432 16.636 1.00 0.00 C ATOM 77 O ASP A 6 107.201 -2.661 17.399 1.00 0.00 O ATOM 78 CB ASP A 6 106.487 -5.569 16.954 1.00 0.00 C ATOM 79 CG ASP A 6 106.610 -7.009 16.455 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.708 -7.398 16.092 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.604 -7.700 16.444 1.00 0.00 O ATOM 0 H ASP A 6 107.750 -5.096 19.119 1.00 0.00 H new ATOM 0 HA ASP A 6 108.529 -5.414 16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.037 -5.555 17.947 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.828 -5.001 16.297 1.00 0.00 H new ATOM 86 N PRO A 7 108.260 -3.072 15.483 1.00 0.00 N ATOM 87 CA PRO A 7 108.217 -1.681 14.998 1.00 0.00 C ATOM 88 C PRO A 7 106.830 -1.354 14.442 1.00 0.00 C ATOM 89 O PRO A 7 106.285 -2.082 13.636 1.00 0.00 O ATOM 90 CB PRO A 7 109.272 -1.653 13.890 1.00 0.00 C ATOM 91 CG PRO A 7 109.449 -3.115 13.420 1.00 0.00 C ATOM 92 CD PRO A 7 108.926 -4.011 14.558 1.00 0.00 C ATOM 0 HA PRO A 7 108.411 -0.947 15.780 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.953 -1.016 13.065 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.213 -1.247 14.260 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.894 -3.295 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.497 -3.330 13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.231 -4.763 14.185 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.739 -4.545 15.050 1.00 0.00 H new ATOM 100 N LYS A 8 106.253 -0.265 14.869 1.00 0.00 N ATOM 101 CA LYS A 8 104.903 0.106 14.368 1.00 0.00 C ATOM 102 C LYS A 8 105.040 1.071 13.191 1.00 0.00 C ATOM 103 O LYS A 8 104.063 1.459 12.580 1.00 0.00 O ATOM 104 CB LYS A 8 104.114 0.782 15.490 1.00 0.00 C ATOM 105 CG LYS A 8 102.619 0.564 15.263 1.00 0.00 C ATOM 106 CD LYS A 8 102.093 -0.457 16.272 1.00 0.00 C ATOM 107 CE LYS A 8 100.671 -0.872 15.887 1.00 0.00 C ATOM 108 NZ LYS A 8 100.729 -1.944 14.853 1.00 0.00 N ATOM 0 H LYS A 8 106.659 0.383 15.543 1.00 0.00 H new ATOM 0 HA LYS A 8 104.378 -0.792 14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.410 0.372 16.456 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.337 1.849 15.515 1.00 0.00 H new ATOM 0 HG2 LYS A 8 102.083 1.507 15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 8 102.442 0.211 14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 8 102.744 -1.331 16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 8 102.099 -0.029 17.275 1.00 0.00 H new ATOM 0 HE2 LYS A 8 100.134 -1.229 16.766 1.00 0.00 H new ATOM 0 HE3 LYS A 8 100.121 -0.012 15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 99.763 -2.226 14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 101.226 -1.588 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 101.239 -2.767 15.234 1.00 0.00 H new ATOM 122 N ASP A 9 106.240 1.466 12.863 1.00 0.00 N ATOM 123 CA ASP A 9 106.418 2.411 11.723 1.00 0.00 C ATOM 124 C ASP A 9 107.863 2.362 11.220 1.00 0.00 C ATOM 125 O ASP A 9 108.741 1.832 11.871 1.00 0.00 O ATOM 126 CB ASP A 9 106.093 3.833 12.187 1.00 0.00 C ATOM 127 CG ASP A 9 106.809 4.114 13.510 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.713 3.366 13.842 1.00 0.00 O ATOM 129 OD2 ASP A 9 106.441 5.073 14.168 1.00 0.00 O ATOM 0 H ASP A 9 107.099 1.178 13.331 1.00 0.00 H new ATOM 0 HA ASP A 9 105.747 2.123 10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.406 4.554 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.016 3.949 12.312 1.00 0.00 H new ATOM 134 N PHE A 10 108.118 2.922 10.066 1.00 0.00 N ATOM 135 CA PHE A 10 109.507 2.921 9.524 1.00 0.00 C ATOM 136 C PHE A 10 110.464 3.406 10.619 1.00 0.00 C ATOM 137 O PHE A 10 110.034 3.990 11.594 1.00 0.00 O ATOM 138 CB PHE A 10 109.588 3.880 8.330 1.00 0.00 C ATOM 139 CG PHE A 10 108.468 3.608 7.352 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.604 2.597 6.392 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.305 4.385 7.387 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.579 2.363 5.469 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.277 4.147 6.467 1.00 0.00 C ATOM 144 CZ PHE A 10 106.415 3.138 5.507 1.00 0.00 C ATOM 0 H PHE A 10 107.423 3.380 9.476 1.00 0.00 H new ATOM 0 HA PHE A 10 109.779 1.915 9.205 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.530 4.911 8.680 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.550 3.767 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.502 1.997 6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.200 5.168 8.123 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.686 1.585 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.377 4.743 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.623 2.958 4.795 1.00 0.00 H new ATOM 154 N PRO A 11 111.735 3.161 10.425 1.00 0.00 N ATOM 155 CA PRO A 11 112.770 3.580 11.385 1.00 0.00 C ATOM 156 C PRO A 11 113.042 5.080 11.234 1.00 0.00 C ATOM 157 O PRO A 11 112.726 5.676 10.224 1.00 0.00 O ATOM 158 CB PRO A 11 113.990 2.745 10.988 1.00 0.00 C ATOM 159 CG PRO A 11 113.772 2.327 9.515 1.00 0.00 C ATOM 160 CD PRO A 11 112.260 2.449 9.241 1.00 0.00 C ATOM 0 HA PRO A 11 112.490 3.426 12.427 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.908 3.323 11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.087 1.869 11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.341 2.969 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.115 1.306 9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.065 3.004 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.795 1.470 9.126 1.00 0.00 H new ATOM 168 N SER A 12 113.612 5.697 12.232 1.00 0.00 N ATOM 169 CA SER A 12 113.887 7.161 12.146 1.00 0.00 C ATOM 170 C SER A 12 114.913 7.440 11.043 1.00 0.00 C ATOM 171 O SER A 12 114.949 8.515 10.477 1.00 0.00 O ATOM 172 CB SER A 12 114.437 7.652 13.485 1.00 0.00 C ATOM 173 OG SER A 12 115.366 6.700 13.988 1.00 0.00 O ATOM 0 H SER A 12 113.900 5.252 13.104 1.00 0.00 H new ATOM 0 HA SER A 12 112.960 7.685 11.912 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.922 8.620 13.359 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.623 7.794 14.196 1.00 0.00 H new ATOM 0 HG SER A 12 115.722 7.012 14.846 1.00 0.00 H new ATOM 179 N GLU A 13 115.749 6.487 10.735 1.00 0.00 N ATOM 180 CA GLU A 13 116.775 6.709 9.675 1.00 0.00 C ATOM 181 C GLU A 13 116.102 6.794 8.302 1.00 0.00 C ATOM 182 O GLU A 13 116.745 7.043 7.302 1.00 0.00 O ATOM 183 CB GLU A 13 117.768 5.547 9.681 1.00 0.00 C ATOM 184 CG GLU A 13 119.038 5.951 8.930 1.00 0.00 C ATOM 185 CD GLU A 13 120.065 6.496 9.924 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.652 7.089 10.907 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.248 6.315 9.684 1.00 0.00 O ATOM 0 H GLU A 13 115.767 5.565 11.170 1.00 0.00 H new ATOM 0 HA GLU A 13 117.298 7.644 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.013 5.270 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.320 4.671 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.449 5.092 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.805 6.707 8.180 1.00 0.00 H new ATOM 194 N LEU A 14 114.815 6.587 8.241 1.00 0.00 N ATOM 195 CA LEU A 14 114.114 6.657 6.930 1.00 0.00 C ATOM 196 C LEU A 14 112.973 7.673 7.007 1.00 0.00 C ATOM 197 O LEU A 14 112.314 7.953 6.025 1.00 0.00 O ATOM 198 CB LEU A 14 113.550 5.279 6.583 1.00 0.00 C ATOM 199 CG LEU A 14 114.641 4.440 5.921 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.175 2.987 5.808 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.933 4.994 4.526 1.00 0.00 C ATOM 0 H LEU A 14 114.220 6.373 9.042 1.00 0.00 H new ATOM 0 HA LEU A 14 114.819 6.968 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.190 4.783 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.696 5.381 5.913 1.00 0.00 H new ATOM 0 HG LEU A 14 115.547 4.482 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 14 114.955 2.390 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.969 2.592 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.268 2.942 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 14 115.712 4.396 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.027 4.954 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.269 6.028 4.608 1.00 0.00 H new ATOM 213 N LEU A 15 112.735 8.231 8.162 1.00 0.00 N ATOM 214 CA LEU A 15 111.638 9.230 8.290 1.00 0.00 C ATOM 215 C LEU A 15 112.179 10.619 7.949 1.00 0.00 C ATOM 216 O LEU A 15 111.555 11.625 8.224 1.00 0.00 O ATOM 217 CB LEU A 15 111.105 9.224 9.723 1.00 0.00 C ATOM 218 CG LEU A 15 110.626 7.816 10.082 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.636 7.646 11.603 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.205 7.611 9.554 1.00 0.00 C ATOM 0 H LEU A 15 113.251 8.039 9.020 1.00 0.00 H new ATOM 0 HA LEU A 15 110.829 8.975 7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.886 9.542 10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.284 9.935 9.820 1.00 0.00 H new ATOM 0 HG LEU A 15 111.291 7.079 9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.295 6.643 11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.649 7.792 11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.972 8.382 12.056 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.863 6.608 9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.540 8.347 10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.198 7.732 8.471 1.00 0.00 H new ATOM 232 N SER A 16 113.336 10.681 7.348 1.00 0.00 N ATOM 233 CA SER A 16 113.920 12.002 6.987 1.00 0.00 C ATOM 234 C SER A 16 113.318 12.485 5.667 1.00 0.00 C ATOM 235 O SER A 16 113.500 13.618 5.269 1.00 0.00 O ATOM 236 CB SER A 16 115.435 11.864 6.836 1.00 0.00 C ATOM 237 OG SER A 16 115.983 11.362 8.048 1.00 0.00 O ATOM 0 H SER A 16 113.902 9.872 7.092 1.00 0.00 H new ATOM 0 HA SER A 16 113.696 12.724 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.670 11.192 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.878 12.831 6.596 1.00 0.00 H new ATOM 0 HG SER A 16 116.954 11.270 7.955 1.00 0.00 H new ATOM 243 N PHE A 17 112.600 11.635 4.983 1.00 0.00 N ATOM 244 CA PHE A 17 111.989 12.052 3.690 1.00 0.00 C ATOM 245 C PHE A 17 110.804 11.142 3.359 1.00 0.00 C ATOM 246 O PHE A 17 110.754 10.532 2.310 1.00 0.00 O ATOM 247 CB PHE A 17 113.030 11.964 2.568 1.00 0.00 C ATOM 248 CG PHE A 17 113.939 10.775 2.784 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.476 9.636 3.458 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.252 10.809 2.299 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.323 8.540 3.645 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.099 9.713 2.485 1.00 0.00 C ATOM 253 CZ PHE A 17 115.635 8.577 3.159 1.00 0.00 C ATOM 0 H PHE A 17 112.411 10.673 5.264 1.00 0.00 H new ATOM 0 HA PHE A 17 111.641 13.081 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.529 11.876 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.620 12.880 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.464 9.606 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.611 11.685 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.965 7.664 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.111 9.742 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.289 7.730 3.304 1.00 0.00 H new ATOM 263 N LEU A 18 109.850 11.048 4.243 1.00 0.00 N ATOM 264 CA LEU A 18 108.670 10.180 3.974 1.00 0.00 C ATOM 265 C LEU A 18 107.409 11.042 3.908 1.00 0.00 C ATOM 266 O LEU A 18 107.477 12.254 3.848 1.00 0.00 O ATOM 267 CB LEU A 18 108.530 9.147 5.095 1.00 0.00 C ATOM 268 CG LEU A 18 108.080 7.809 4.505 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.286 7.073 3.919 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.449 6.955 5.605 1.00 0.00 C ATOM 0 H LEU A 18 109.836 11.534 5.139 1.00 0.00 H new ATOM 0 HA LEU A 18 108.805 9.664 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.481 9.026 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.806 9.492 5.833 1.00 0.00 H new ATOM 0 HG LEU A 18 107.349 7.989 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 18 108.962 6.120 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.737 7.680 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.019 6.893 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.128 6.001 5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 108.181 6.777 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 18 106.587 7.477 6.022 1.00 0.00 H new ATOM 282 N SER A 19 106.256 10.430 3.918 1.00 0.00 N ATOM 283 CA SER A 19 104.994 11.220 3.855 1.00 0.00 C ATOM 284 C SER A 19 104.308 11.201 5.222 1.00 0.00 C ATOM 285 O SER A 19 103.474 12.032 5.520 1.00 0.00 O ATOM 286 CB SER A 19 104.062 10.609 2.808 1.00 0.00 C ATOM 287 OG SER A 19 102.719 10.960 3.114 1.00 0.00 O ATOM 0 H SER A 19 106.134 9.419 3.967 1.00 0.00 H new ATOM 0 HA SER A 19 105.225 12.249 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.327 10.969 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.173 9.525 2.794 1.00 0.00 H new ATOM 0 HG SER A 19 102.234 10.164 3.416 1.00 0.00 H new ATOM 293 N HIS A 20 104.653 10.259 6.057 1.00 0.00 N ATOM 294 CA HIS A 20 104.021 10.189 7.404 1.00 0.00 C ATOM 295 C HIS A 20 102.506 10.354 7.269 1.00 0.00 C ATOM 296 O HIS A 20 101.838 10.803 8.178 1.00 0.00 O ATOM 297 CB HIS A 20 104.578 11.310 8.285 1.00 0.00 C ATOM 298 CG HIS A 20 106.072 11.368 8.129 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.860 10.228 8.141 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.936 12.419 7.952 1.00 0.00 C ATOM 301 CE1 HIS A 20 108.136 10.616 7.973 1.00 0.00 C ATOM 302 NE2 HIS A 20 108.240 11.942 7.853 1.00 0.00 N ATOM 0 H HIS A 20 105.345 9.535 5.864 1.00 0.00 H new ATOM 0 HA HIS A 20 104.241 9.223 7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 20 104.134 12.265 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.316 11.133 9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.648 13.459 7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.976 9.937 7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 20 109.091 12.488 7.718 1.00 0.00 H new ATOM 310 N ALA A 21 101.958 9.994 6.141 1.00 0.00 N ATOM 311 CA ALA A 21 100.487 10.130 5.951 1.00 0.00 C ATOM 312 C ALA A 21 99.986 9.022 5.023 1.00 0.00 C ATOM 313 O ALA A 21 100.685 8.581 4.132 1.00 0.00 O ATOM 314 CB ALA A 21 100.177 11.495 5.335 1.00 0.00 C ATOM 0 H ALA A 21 102.465 9.612 5.343 1.00 0.00 H new ATOM 0 HA ALA A 21 99.987 10.046 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 21 99.101 11.595 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.532 12.283 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.677 11.581 4.370 1.00 0.00 H new ATOM 320 N VAL A 22 98.780 8.567 5.223 1.00 0.00 N ATOM 321 CA VAL A 22 98.235 7.487 4.353 1.00 0.00 C ATOM 322 C VAL A 22 97.020 8.010 3.588 1.00 0.00 C ATOM 323 O VAL A 22 96.814 7.688 2.435 1.00 0.00 O ATOM 324 CB VAL A 22 97.817 6.297 5.221 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.485 5.102 4.326 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.966 5.925 6.159 1.00 0.00 C ATOM 0 H VAL A 22 98.148 8.897 5.952 1.00 0.00 H new ATOM 0 HA VAL A 22 99.001 7.171 3.644 1.00 0.00 H new ATOM 0 HB VAL A 22 96.938 6.566 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.188 4.255 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.668 5.366 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.363 4.832 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.671 5.078 6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.843 5.656 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.204 6.776 6.798 1.00 0.00 H new ATOM 336 N PHE A 23 96.214 8.814 4.221 1.00 0.00 N ATOM 337 CA PHE A 23 95.010 9.357 3.532 1.00 0.00 C ATOM 338 C PHE A 23 95.322 10.745 2.970 1.00 0.00 C ATOM 339 O PHE A 23 94.558 11.676 3.130 1.00 0.00 O ATOM 340 CB PHE A 23 93.854 9.463 4.529 1.00 0.00 C ATOM 341 CG PHE A 23 93.539 8.095 5.087 1.00 0.00 C ATOM 342 CD1 PHE A 23 94.305 7.574 6.136 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.480 7.350 4.556 1.00 0.00 C ATOM 344 CE1 PHE A 23 94.012 6.307 6.654 1.00 0.00 C ATOM 345 CE2 PHE A 23 92.186 6.083 5.074 1.00 0.00 C ATOM 346 CZ PHE A 23 92.952 5.562 6.123 1.00 0.00 C ATOM 0 H PHE A 23 96.336 9.119 5.187 1.00 0.00 H new ATOM 0 HA PHE A 23 94.730 8.689 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.119 10.144 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.974 9.878 4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 23 95.122 8.149 6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.889 7.753 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.603 5.904 7.463 1.00 0.00 H new ATOM 0 HE2 PHE A 23 91.369 5.508 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.725 4.585 6.523 1.00 0.00 H new ATOM 356 N SER A 24 96.440 10.893 2.313 1.00 0.00 N ATOM 357 CA SER A 24 96.794 12.222 1.741 1.00 0.00 C ATOM 358 C SER A 24 95.827 12.557 0.604 1.00 0.00 C ATOM 359 O SER A 24 95.262 11.682 -0.020 1.00 0.00 O ATOM 360 CB SER A 24 98.224 12.183 1.203 1.00 0.00 C ATOM 361 OG SER A 24 98.677 13.512 0.978 1.00 0.00 O ATOM 0 H SER A 24 97.122 10.153 2.148 1.00 0.00 H new ATOM 0 HA SER A 24 96.722 12.984 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.879 11.679 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.260 11.612 0.275 1.00 0.00 H new ATOM 0 HG SER A 24 99.595 13.491 0.634 1.00 0.00 H new ATOM 367 N ASN A 25 95.632 13.818 0.331 1.00 0.00 N ATOM 368 CA ASN A 25 94.700 14.206 -0.765 1.00 0.00 C ATOM 369 C ASN A 25 95.464 14.252 -2.090 1.00 0.00 C ATOM 370 O ASN A 25 95.008 14.827 -3.059 1.00 0.00 O ATOM 371 CB ASN A 25 94.113 15.586 -0.467 1.00 0.00 C ATOM 372 CG ASN A 25 92.689 15.666 -1.016 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.717 16.030 -0.224 1.00 0.00 O flip ATOM 374 ND2 ASN A 25 92.456 15.397 -2.178 1.00 0.00 N flip ATOM 0 H ASN A 25 96.077 14.595 0.819 1.00 0.00 H new ATOM 0 HA ASN A 25 93.894 13.475 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.110 15.767 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.732 16.361 -0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 25 93.215 15.113 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.502 15.456 -2.534 1.00 0.00 H new ATOM 381 N ARG A 26 96.619 13.651 -2.141 1.00 0.00 N ATOM 382 CA ARG A 26 97.410 13.661 -3.403 1.00 0.00 C ATOM 383 C ARG A 26 97.629 12.224 -3.880 1.00 0.00 C ATOM 384 O ARG A 26 97.732 11.307 -3.090 1.00 0.00 O ATOM 385 CB ARG A 26 98.765 14.326 -3.152 1.00 0.00 C ATOM 386 CG ARG A 26 98.890 15.575 -4.027 1.00 0.00 C ATOM 387 CD ARG A 26 100.262 15.590 -4.702 1.00 0.00 C ATOM 388 NE ARG A 26 100.135 16.160 -6.072 1.00 0.00 N ATOM 389 CZ ARG A 26 100.093 17.455 -6.239 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.097 18.195 -5.855 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.048 18.008 -6.789 1.00 0.00 N ATOM 0 H ARG A 26 97.050 13.153 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 26 96.867 14.219 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.861 14.595 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.572 13.629 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.102 15.585 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.762 16.471 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.962 16.183 -4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.665 14.579 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 26 100.081 15.539 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.914 17.762 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 26 101.064 19.206 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 26 98.263 17.429 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 99.015 19.019 -6.919 1.00 0.00 H new ATOM 405 N THR A 27 97.705 12.020 -5.168 1.00 0.00 N ATOM 406 CA THR A 27 97.919 10.642 -5.692 1.00 0.00 C ATOM 407 C THR A 27 99.404 10.287 -5.593 1.00 0.00 C ATOM 408 O THR A 27 100.246 10.927 -6.189 1.00 0.00 O ATOM 409 CB THR A 27 97.475 10.575 -7.155 1.00 0.00 C ATOM 410 OG1 THR A 27 98.147 11.582 -7.899 1.00 0.00 O ATOM 411 CG2 THR A 27 95.964 10.794 -7.243 1.00 0.00 C ATOM 0 H THR A 27 97.628 12.748 -5.878 1.00 0.00 H new ATOM 0 HA THR A 27 97.334 9.935 -5.104 1.00 0.00 H new ATOM 0 HB THR A 27 97.721 9.595 -7.565 1.00 0.00 H new ATOM 0 HG1 THR A 27 99.071 11.661 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.650 10.746 -8.286 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.450 10.020 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.714 11.773 -6.833 1.00 0.00 H new ATOM 419 N LEU A 28 99.730 9.270 -4.843 1.00 0.00 N ATOM 420 CA LEU A 28 101.160 8.875 -4.705 1.00 0.00 C ATOM 421 C LEU A 28 101.388 7.532 -5.401 1.00 0.00 C ATOM 422 O LEU A 28 100.692 6.568 -5.153 1.00 0.00 O ATOM 423 CB LEU A 28 101.514 8.743 -3.223 1.00 0.00 C ATOM 424 CG LEU A 28 102.453 9.878 -2.815 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.646 10.989 -2.141 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.499 9.342 -1.835 1.00 0.00 C ATOM 0 H LEU A 28 99.068 8.696 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 28 101.791 9.636 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.607 8.773 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.989 7.780 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 28 102.951 10.276 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.315 11.799 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.898 11.369 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.150 10.592 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 28 104.170 10.149 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.000 8.946 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 28 104.073 8.548 -2.313 1.00 0.00 H new ATOM 438 N ALA A 29 102.363 7.460 -6.265 1.00 0.00 N ATOM 439 CA ALA A 29 102.638 6.177 -6.969 1.00 0.00 C ATOM 440 C ALA A 29 103.854 5.498 -6.322 1.00 0.00 C ATOM 441 O ALA A 29 104.171 4.360 -6.614 1.00 0.00 O ATOM 442 CB ALA A 29 102.934 6.458 -8.445 1.00 0.00 C ATOM 0 H ALA A 29 102.980 8.233 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 29 101.769 5.523 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.135 5.519 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.073 6.946 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.804 7.109 -8.524 1.00 0.00 H new ATOM 448 N CYS A 30 104.536 6.188 -5.441 1.00 0.00 N ATOM 449 CA CYS A 30 105.726 5.587 -4.768 1.00 0.00 C ATOM 450 C CYS A 30 105.305 5.059 -3.395 1.00 0.00 C ATOM 451 O CYS A 30 104.775 5.785 -2.575 1.00 0.00 O ATOM 452 CB CYS A 30 106.813 6.647 -4.603 1.00 0.00 C ATOM 453 SG CYS A 30 108.188 5.959 -3.648 1.00 0.00 S ATOM 0 H CYS A 30 104.318 7.144 -5.159 1.00 0.00 H new ATOM 0 HA CYS A 30 106.118 4.769 -5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.165 6.978 -5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.407 7.523 -4.097 1.00 0.00 H new ATOM 0 HG CYS A 30 108.945 6.925 -3.220 1.00 0.00 H new ATOM 459 N PHE A 31 105.508 3.793 -3.150 1.00 0.00 N ATOM 460 CA PHE A 31 105.082 3.210 -1.849 1.00 0.00 C ATOM 461 C PHE A 31 106.272 2.568 -1.136 1.00 0.00 C ATOM 462 O PHE A 31 107.095 1.911 -1.744 1.00 0.00 O ATOM 463 CB PHE A 31 104.036 2.123 -2.111 1.00 0.00 C ATOM 464 CG PHE A 31 102.815 2.703 -2.788 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.936 3.411 -3.988 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.551 2.512 -2.224 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.809 3.925 -4.618 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.422 3.035 -2.859 1.00 0.00 C ATOM 469 CZ PHE A 31 100.551 3.743 -4.059 1.00 0.00 C ATOM 0 H PHE A 31 105.950 3.139 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 31 104.671 4.004 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.467 1.341 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.747 1.656 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.911 3.559 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.447 1.962 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.912 4.468 -5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.445 2.892 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.676 4.146 -4.548 1.00 0.00 H new ATOM 479 N ALA A 32 106.355 2.731 0.156 1.00 0.00 N ATOM 480 CA ALA A 32 107.469 2.107 0.916 1.00 0.00 C ATOM 481 C ALA A 32 106.889 1.071 1.878 1.00 0.00 C ATOM 482 O ALA A 32 106.405 1.402 2.944 1.00 0.00 O ATOM 483 CB ALA A 32 108.215 3.170 1.717 1.00 0.00 C ATOM 0 H ALA A 32 105.697 3.271 0.717 1.00 0.00 H new ATOM 0 HA ALA A 32 108.161 1.633 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.030 2.703 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.621 3.920 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.528 3.648 2.416 1.00 0.00 H new ATOM 489 N ILE A 33 106.931 -0.177 1.512 1.00 0.00 N ATOM 490 CA ILE A 33 106.385 -1.225 2.412 1.00 0.00 C ATOM 491 C ILE A 33 107.429 -1.553 3.478 1.00 0.00 C ATOM 492 O ILE A 33 108.543 -1.931 3.175 1.00 0.00 O ATOM 493 CB ILE A 33 106.065 -2.485 1.607 1.00 0.00 C ATOM 494 CG1 ILE A 33 105.152 -2.127 0.429 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.365 -3.505 2.510 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.791 -1.655 0.949 1.00 0.00 C ATOM 0 H ILE A 33 107.319 -0.516 0.631 1.00 0.00 H new ATOM 0 HA ILE A 33 105.471 -0.863 2.884 1.00 0.00 H new ATOM 0 HB ILE A 33 106.991 -2.915 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.612 -1.344 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.023 -2.994 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.137 -4.403 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.019 -3.763 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.440 -3.076 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.147 -1.402 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.329 -2.451 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.927 -0.775 1.578 1.00 0.00 H new ATOM 508 N TYR A 34 107.079 -1.416 4.720 1.00 0.00 N ATOM 509 CA TYR A 34 108.047 -1.726 5.806 1.00 0.00 C ATOM 510 C TYR A 34 107.502 -2.903 6.603 1.00 0.00 C ATOM 511 O TYR A 34 106.729 -2.739 7.524 1.00 0.00 O ATOM 512 CB TYR A 34 108.200 -0.507 6.714 1.00 0.00 C ATOM 513 CG TYR A 34 108.905 -0.904 7.988 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.995 -1.783 7.944 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.474 -0.387 9.215 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.649 -2.144 9.125 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.128 -0.749 10.396 1.00 0.00 C ATOM 518 CZ TYR A 34 110.217 -1.627 10.351 1.00 0.00 C ATOM 519 OH TYR A 34 110.864 -1.984 11.516 1.00 0.00 O ATOM 0 H TYR A 34 106.161 -1.102 5.034 1.00 0.00 H new ATOM 0 HA TYR A 34 109.023 -1.976 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.766 0.271 6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.220 -0.089 6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.330 -2.181 6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.635 0.292 9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.489 -2.823 9.091 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.793 -0.351 11.343 1.00 0.00 H new ATOM 0 HH TYR A 34 111.226 -1.182 11.948 1.00 0.00 H new ATOM 529 N THR A 35 107.875 -4.095 6.236 1.00 0.00 N ATOM 530 CA THR A 35 107.347 -5.283 6.953 1.00 0.00 C ATOM 531 C THR A 35 108.445 -6.336 7.093 1.00 0.00 C ATOM 532 O THR A 35 109.550 -6.164 6.618 1.00 0.00 O ATOM 533 CB THR A 35 106.188 -5.879 6.146 1.00 0.00 C ATOM 534 OG1 THR A 35 106.692 -6.895 5.294 1.00 0.00 O ATOM 535 CG2 THR A 35 105.523 -4.796 5.294 1.00 0.00 C ATOM 0 H THR A 35 108.521 -4.297 5.473 1.00 0.00 H new ATOM 0 HA THR A 35 107.004 -4.983 7.943 1.00 0.00 H new ATOM 0 HB THR A 35 105.451 -6.293 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.947 -6.503 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.702 -5.233 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.138 -4.009 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.255 -4.374 4.606 1.00 0.00 H new ATOM 543 N THR A 36 108.143 -7.432 7.731 1.00 0.00 N ATOM 544 CA THR A 36 109.164 -8.502 7.888 1.00 0.00 C ATOM 545 C THR A 36 109.652 -8.923 6.501 1.00 0.00 C ATOM 546 O THR A 36 108.964 -8.751 5.514 1.00 0.00 O ATOM 547 CB THR A 36 108.538 -9.705 8.601 1.00 0.00 C ATOM 548 OG1 THR A 36 107.481 -10.227 7.808 1.00 0.00 O ATOM 549 CG2 THR A 36 107.990 -9.272 9.964 1.00 0.00 C ATOM 0 H THR A 36 107.235 -7.632 8.150 1.00 0.00 H new ATOM 0 HA THR A 36 110.002 -8.134 8.479 1.00 0.00 H new ATOM 0 HB THR A 36 109.298 -10.473 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.187 -11.085 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.546 -10.131 10.467 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.802 -8.875 10.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.232 -8.502 9.823 1.00 0.00 H new ATOM 557 N LYS A 37 110.834 -9.463 6.412 1.00 0.00 N ATOM 558 CA LYS A 37 111.359 -9.886 5.087 1.00 0.00 C ATOM 559 C LYS A 37 110.452 -10.966 4.493 1.00 0.00 C ATOM 560 O LYS A 37 110.226 -11.013 3.299 1.00 0.00 O ATOM 561 CB LYS A 37 112.771 -10.443 5.268 1.00 0.00 C ATOM 562 CG LYS A 37 112.697 -11.818 5.934 1.00 0.00 C ATOM 563 CD LYS A 37 114.111 -12.369 6.127 1.00 0.00 C ATOM 564 CE LYS A 37 114.265 -12.891 7.557 1.00 0.00 C ATOM 565 NZ LYS A 37 115.462 -13.774 7.636 1.00 0.00 N ATOM 0 H LYS A 37 111.459 -9.630 7.201 1.00 0.00 H new ATOM 0 HA LYS A 37 111.383 -9.031 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.269 -10.522 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.366 -9.763 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 37 112.191 -11.741 6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.110 -12.500 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.301 -13.171 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.847 -11.588 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 37 114.368 -12.057 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.373 -13.443 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.568 -14.129 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.345 -14.576 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 116.310 -13.234 7.371 1.00 0.00 H new ATOM 579 N GLU A 38 109.939 -11.841 5.314 1.00 0.00 N ATOM 580 CA GLU A 38 109.059 -12.922 4.802 1.00 0.00 C ATOM 581 C GLU A 38 107.779 -12.328 4.208 1.00 0.00 C ATOM 582 O GLU A 38 107.079 -12.973 3.453 1.00 0.00 O ATOM 583 CB GLU A 38 108.694 -13.866 5.948 1.00 0.00 C ATOM 584 CG GLU A 38 108.683 -15.308 5.437 1.00 0.00 C ATOM 585 CD GLU A 38 109.389 -16.215 6.447 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.677 -15.744 7.536 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.630 -17.364 6.115 1.00 0.00 O ATOM 0 H GLU A 38 110.094 -11.851 6.322 1.00 0.00 H new ATOM 0 HA GLU A 38 109.590 -13.471 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 38 109.412 -13.763 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.716 -13.604 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.657 -15.644 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.182 -15.366 4.470 1.00 0.00 H new ATOM 594 N LYS A 39 107.459 -11.107 4.542 1.00 0.00 N ATOM 595 CA LYS A 39 106.221 -10.492 3.996 1.00 0.00 C ATOM 596 C LYS A 39 106.544 -9.785 2.676 1.00 0.00 C ATOM 597 O LYS A 39 105.983 -10.098 1.644 1.00 0.00 O ATOM 598 CB LYS A 39 105.679 -9.492 5.019 1.00 0.00 C ATOM 599 CG LYS A 39 104.684 -8.543 4.349 1.00 0.00 C ATOM 600 CD LYS A 39 103.731 -7.981 5.404 1.00 0.00 C ATOM 601 CE LYS A 39 102.787 -9.084 5.882 1.00 0.00 C ATOM 602 NZ LYS A 39 102.190 -8.694 7.190 1.00 0.00 N ATOM 0 H LYS A 39 108.002 -10.512 5.168 1.00 0.00 H new ATOM 0 HA LYS A 39 105.469 -11.257 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.192 -10.024 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.501 -8.923 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.216 -7.731 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.122 -9.072 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.298 -7.584 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.158 -7.153 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 39 102.000 -9.249 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.330 -10.024 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.034 -9.545 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.837 -8.050 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.282 -8.214 7.028 1.00 0.00 H new ATOM 616 N ALA A 40 107.446 -8.840 2.693 1.00 0.00 N ATOM 617 CA ALA A 40 107.795 -8.132 1.428 1.00 0.00 C ATOM 618 C ALA A 40 108.088 -9.163 0.339 1.00 0.00 C ATOM 619 O ALA A 40 107.820 -8.942 -0.824 1.00 0.00 O ATOM 620 CB ALA A 40 109.038 -7.265 1.640 1.00 0.00 C ATOM 0 H ALA A 40 107.953 -8.530 3.522 1.00 0.00 H new ATOM 0 HA ALA A 40 106.959 -7.499 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.286 -6.751 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.840 -6.529 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.875 -7.896 1.940 1.00 0.00 H new ATOM 626 N ALA A 41 108.644 -10.286 0.705 1.00 0.00 N ATOM 627 CA ALA A 41 108.958 -11.328 -0.314 1.00 0.00 C ATOM 628 C ALA A 41 107.713 -11.603 -1.155 1.00 0.00 C ATOM 629 O ALA A 41 107.757 -11.607 -2.369 1.00 0.00 O ATOM 630 CB ALA A 41 109.397 -12.615 0.388 1.00 0.00 C ATOM 0 H ALA A 41 108.894 -10.527 1.664 1.00 0.00 H new ATOM 0 HA ALA A 41 109.763 -10.977 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.626 -13.376 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.284 -12.417 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.593 -12.970 1.033 1.00 0.00 H new ATOM 636 N LEU A 42 106.600 -11.826 -0.516 1.00 0.00 N ATOM 637 CA LEU A 42 105.346 -12.093 -1.275 1.00 0.00 C ATOM 638 C LEU A 42 104.868 -10.794 -1.922 1.00 0.00 C ATOM 639 O LEU A 42 104.352 -10.789 -3.021 1.00 0.00 O ATOM 640 CB LEU A 42 104.270 -12.615 -0.319 1.00 0.00 C ATOM 641 CG LEU A 42 104.861 -13.713 0.565 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.333 -13.559 1.992 1.00 0.00 C ATOM 643 CD2 LEU A 42 104.454 -15.082 0.017 1.00 0.00 C ATOM 0 H LEU A 42 106.503 -11.835 0.499 1.00 0.00 H new ATOM 0 HA LEU A 42 105.535 -12.840 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.892 -11.801 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.424 -13.005 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 42 105.948 -13.630 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.754 -14.342 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.622 -12.583 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.246 -13.642 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.875 -15.866 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 42 103.367 -15.164 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.830 -15.193 -1.000 1.00 0.00 H new ATOM 655 N LEU A 43 105.044 -9.690 -1.248 1.00 0.00 N ATOM 656 CA LEU A 43 104.608 -8.385 -1.821 1.00 0.00 C ATOM 657 C LEU A 43 105.490 -8.038 -3.019 1.00 0.00 C ATOM 658 O LEU A 43 105.194 -7.144 -3.787 1.00 0.00 O ATOM 659 CB LEU A 43 104.753 -7.293 -0.759 1.00 0.00 C ATOM 660 CG LEU A 43 103.517 -7.273 0.141 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.349 -6.641 -0.618 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.152 -8.705 0.546 1.00 0.00 C ATOM 0 H LEU A 43 105.472 -9.636 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 43 103.568 -8.455 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.646 -7.472 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.880 -6.322 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 43 103.728 -6.689 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.466 -6.625 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.609 -5.622 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.138 -7.225 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.271 -8.688 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 43 102.940 -9.293 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 43 103.985 -9.154 1.086 1.00 0.00 H new ATOM 674 N TYR A 44 106.575 -8.742 -3.182 1.00 0.00 N ATOM 675 CA TYR A 44 107.484 -8.460 -4.323 1.00 0.00 C ATOM 676 C TYR A 44 106.946 -9.157 -5.573 1.00 0.00 C ATOM 677 O TYR A 44 106.626 -8.527 -6.563 1.00 0.00 O ATOM 678 CB TYR A 44 108.879 -8.993 -3.988 1.00 0.00 C ATOM 679 CG TYR A 44 109.900 -8.429 -4.948 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.849 -8.769 -6.302 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.913 -7.582 -4.476 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.803 -8.263 -7.189 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.874 -7.080 -5.362 1.00 0.00 C ATOM 684 CZ TYR A 44 111.818 -7.419 -6.721 1.00 0.00 C ATOM 685 OH TYR A 44 112.760 -6.925 -7.599 1.00 0.00 O ATOM 0 H TYR A 44 106.871 -9.503 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 44 107.540 -7.387 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.143 -8.723 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.882 -10.082 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.071 -9.424 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.952 -7.317 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.758 -8.523 -8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.658 -6.432 -4.999 1.00 0.00 H new ATOM 0 HH TYR A 44 113.011 -6.016 -7.332 1.00 0.00 H new ATOM 695 N LYS A 45 106.834 -10.456 -5.531 1.00 0.00 N ATOM 696 CA LYS A 45 106.310 -11.199 -6.708 1.00 0.00 C ATOM 697 C LYS A 45 104.810 -10.934 -6.855 1.00 0.00 C ATOM 698 O LYS A 45 104.224 -11.198 -7.886 1.00 0.00 O ATOM 699 CB LYS A 45 106.545 -12.698 -6.511 1.00 0.00 C ATOM 700 CG LYS A 45 106.710 -13.374 -7.873 1.00 0.00 C ATOM 701 CD LYS A 45 105.797 -14.599 -7.948 1.00 0.00 C ATOM 702 CE LYS A 45 106.629 -15.834 -8.298 1.00 0.00 C ATOM 703 NZ LYS A 45 106.524 -16.831 -7.195 1.00 0.00 N ATOM 0 H LYS A 45 107.084 -11.035 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 45 106.827 -10.864 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 45 107.435 -12.860 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.706 -13.140 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.463 -12.674 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.748 -13.671 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 45 105.290 -14.747 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 45 105.023 -14.444 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 106.276 -16.271 -9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 45 107.671 -15.553 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.089 -17.671 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 106.880 -16.411 -6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 105.529 -17.107 -7.070 1.00 0.00 H new ATOM 717 N LYS A 46 104.182 -10.413 -5.834 1.00 0.00 N ATOM 718 CA LYS A 46 102.722 -10.133 -5.929 1.00 0.00 C ATOM 719 C LYS A 46 102.511 -8.770 -6.589 1.00 0.00 C ATOM 720 O LYS A 46 101.952 -8.672 -7.663 1.00 0.00 O ATOM 721 CB LYS A 46 102.105 -10.127 -4.530 1.00 0.00 C ATOM 722 CG LYS A 46 101.828 -11.565 -4.088 1.00 0.00 C ATOM 723 CD LYS A 46 100.574 -11.601 -3.213 1.00 0.00 C ATOM 724 CE LYS A 46 100.631 -12.819 -2.288 1.00 0.00 C ATOM 725 NZ LYS A 46 101.300 -13.948 -2.996 1.00 0.00 N ATOM 0 H LYS A 46 104.616 -10.171 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 46 102.242 -10.907 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.781 -9.642 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.180 -9.551 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.693 -12.205 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.681 -11.957 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.503 -10.687 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.683 -11.648 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 46 101.176 -12.572 -1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.624 -13.109 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 101.009 -14.849 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.026 -13.940 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 102.332 -13.844 -2.918 1.00 0.00 H new ATOM 739 N ILE A 47 102.960 -7.719 -5.961 1.00 0.00 N ATOM 740 CA ILE A 47 102.787 -6.371 -6.565 1.00 0.00 C ATOM 741 C ILE A 47 103.378 -6.378 -7.978 1.00 0.00 C ATOM 742 O ILE A 47 103.013 -5.582 -8.819 1.00 0.00 O ATOM 743 CB ILE A 47 103.520 -5.328 -5.724 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.888 -5.270 -4.314 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.443 -3.971 -6.436 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.092 -3.973 -4.103 1.00 0.00 C ATOM 0 H ILE A 47 103.437 -7.736 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 47 101.726 -6.125 -6.602 1.00 0.00 H new ATOM 0 HB ILE A 47 104.570 -5.595 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.230 -6.128 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.672 -5.343 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.964 -3.219 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.911 -4.048 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.399 -3.681 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.663 -3.968 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.756 -3.116 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.292 -3.913 -4.841 1.00 0.00 H new ATOM 758 N MET A 48 104.298 -7.269 -8.239 1.00 0.00 N ATOM 759 CA MET A 48 104.931 -7.332 -9.589 1.00 0.00 C ATOM 760 C MET A 48 103.887 -7.096 -10.687 1.00 0.00 C ATOM 761 O MET A 48 103.791 -6.019 -11.240 1.00 0.00 O ATOM 762 CB MET A 48 105.568 -8.709 -9.786 1.00 0.00 C ATOM 763 CG MET A 48 107.088 -8.563 -9.869 1.00 0.00 C ATOM 764 SD MET A 48 107.811 -10.114 -10.462 1.00 0.00 S ATOM 765 CE MET A 48 109.351 -10.023 -9.516 1.00 0.00 C ATOM 0 H MET A 48 104.640 -7.960 -7.571 1.00 0.00 H new ATOM 0 HA MET A 48 105.692 -6.554 -9.655 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.300 -9.367 -8.959 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.186 -9.171 -10.697 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.350 -7.747 -10.542 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.494 -8.311 -8.889 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.109 -10.644 -9.994 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.697 -8.990 -9.482 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.176 -10.380 -8.501 1.00 0.00 H new ATOM 775 N GLU A 49 103.119 -8.097 -11.022 1.00 0.00 N ATOM 776 CA GLU A 49 102.101 -7.929 -12.102 1.00 0.00 C ATOM 777 C GLU A 49 100.810 -7.335 -11.533 1.00 0.00 C ATOM 778 O GLU A 49 99.792 -7.298 -12.196 1.00 0.00 O ATOM 779 CB GLU A 49 101.803 -9.289 -12.733 1.00 0.00 C ATOM 780 CG GLU A 49 103.094 -9.880 -13.303 1.00 0.00 C ATOM 781 CD GLU A 49 102.866 -10.298 -14.757 1.00 0.00 C ATOM 782 OE1 GLU A 49 102.200 -9.562 -15.467 1.00 0.00 O ATOM 783 OE2 GLU A 49 103.363 -11.346 -15.136 1.00 0.00 O ATOM 0 H GLU A 49 103.151 -9.023 -10.596 1.00 0.00 H new ATOM 0 HA GLU A 49 102.496 -7.249 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.380 -9.963 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.060 -9.180 -13.523 1.00 0.00 H new ATOM 0 HG2 GLU A 49 103.898 -9.146 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.405 -10.741 -12.711 1.00 0.00 H new ATOM 790 N LYS A 50 100.837 -6.864 -10.318 1.00 0.00 N ATOM 791 CA LYS A 50 99.604 -6.268 -9.729 1.00 0.00 C ATOM 792 C LYS A 50 99.586 -4.762 -10.006 1.00 0.00 C ATOM 793 O LYS A 50 98.541 -4.154 -10.128 1.00 0.00 O ATOM 794 CB LYS A 50 99.584 -6.513 -8.222 1.00 0.00 C ATOM 795 CG LYS A 50 98.205 -6.153 -7.665 1.00 0.00 C ATOM 796 CD LYS A 50 97.693 -7.275 -6.749 1.00 0.00 C ATOM 797 CE LYS A 50 98.840 -7.825 -5.898 1.00 0.00 C ATOM 798 NZ LYS A 50 99.209 -9.186 -6.381 1.00 0.00 N ATOM 0 H LYS A 50 101.655 -6.865 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 50 98.726 -6.731 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.813 -7.557 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.353 -5.913 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.262 -5.217 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.504 -5.994 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.901 -6.895 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.259 -8.075 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.702 -7.160 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.542 -7.868 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.376 -9.810 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.435 -9.571 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.074 -9.128 -6.955 1.00 0.00 H new ATOM 812 N TYR A 51 100.738 -4.157 -10.100 1.00 0.00 N ATOM 813 CA TYR A 51 100.799 -2.693 -10.364 1.00 0.00 C ATOM 814 C TYR A 51 101.924 -2.396 -11.354 1.00 0.00 C ATOM 815 O TYR A 51 102.343 -1.267 -11.496 1.00 0.00 O ATOM 816 CB TYR A 51 101.093 -1.950 -9.059 1.00 0.00 C ATOM 817 CG TYR A 51 99.878 -1.975 -8.168 1.00 0.00 C ATOM 818 CD1 TYR A 51 98.919 -0.961 -8.264 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.711 -3.011 -7.243 1.00 0.00 C ATOM 820 CE1 TYR A 51 97.793 -0.981 -7.439 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.584 -3.032 -6.414 1.00 0.00 C ATOM 822 CZ TYR A 51 97.623 -2.016 -6.512 1.00 0.00 C ATOM 823 OH TYR A 51 96.510 -2.037 -5.696 1.00 0.00 O ATOM 0 H TYR A 51 101.644 -4.617 -10.005 1.00 0.00 H new ATOM 0 HA TYR A 51 99.844 -2.367 -10.775 1.00 0.00 H new ATOM 0 HB2 TYR A 51 101.938 -2.413 -8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.376 -0.919 -9.273 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.050 -0.161 -8.978 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.451 -3.794 -7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.053 -0.198 -7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.454 -3.831 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 51 96.547 -2.824 -5.113 1.00 0.00 H new ATOM 833 N SER A 52 102.434 -3.393 -12.028 1.00 0.00 N ATOM 834 CA SER A 52 103.550 -3.132 -12.982 1.00 0.00 C ATOM 835 C SER A 52 104.573 -2.239 -12.278 1.00 0.00 C ATOM 836 O SER A 52 105.005 -1.229 -12.797 1.00 0.00 O ATOM 837 CB SER A 52 103.009 -2.426 -14.225 1.00 0.00 C ATOM 838 OG SER A 52 104.098 -1.945 -15.003 1.00 0.00 O ATOM 0 H SER A 52 102.131 -4.365 -11.961 1.00 0.00 H new ATOM 0 HA SER A 52 104.016 -4.068 -13.290 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.403 -3.115 -14.814 1.00 0.00 H new ATOM 0 HB3 SER A 52 102.361 -1.599 -13.935 1.00 0.00 H new ATOM 0 HG SER A 52 104.574 -1.249 -14.504 1.00 0.00 H new ATOM 844 N VAL A 53 104.930 -2.611 -11.078 1.00 0.00 N ATOM 845 CA VAL A 53 105.898 -1.817 -10.264 1.00 0.00 C ATOM 846 C VAL A 53 106.932 -1.100 -11.134 1.00 0.00 C ATOM 847 O VAL A 53 107.679 -1.717 -11.868 1.00 0.00 O ATOM 848 CB VAL A 53 106.630 -2.759 -9.309 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.667 -3.232 -8.221 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.150 -3.967 -10.091 1.00 0.00 C ATOM 0 H VAL A 53 104.583 -3.452 -10.617 1.00 0.00 H new ATOM 0 HA VAL A 53 105.334 -1.060 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 53 107.467 -2.234 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.189 -3.904 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.294 -2.371 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.830 -3.759 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.673 -4.642 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.312 -4.492 -10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.836 -3.630 -10.868 1.00 0.00 H new ATOM 860 N THR A 54 107.014 0.200 -11.014 1.00 0.00 N ATOM 861 CA THR A 54 108.039 0.958 -11.784 1.00 0.00 C ATOM 862 C THR A 54 109.415 0.544 -11.259 1.00 0.00 C ATOM 863 O THR A 54 110.439 0.819 -11.854 1.00 0.00 O ATOM 864 CB THR A 54 107.839 2.460 -11.567 1.00 0.00 C ATOM 865 OG1 THR A 54 106.521 2.696 -11.090 1.00 0.00 O ATOM 866 CG2 THR A 54 108.048 3.203 -12.887 1.00 0.00 C ATOM 0 H THR A 54 106.414 0.768 -10.415 1.00 0.00 H new ATOM 0 HA THR A 54 107.953 0.744 -12.849 1.00 0.00 H new ATOM 0 HB THR A 54 108.561 2.820 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.427 3.640 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 54 107.905 4.272 -12.729 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.060 3.022 -13.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 107.329 2.845 -13.624 1.00 0.00 H new ATOM 874 N PHE A 55 109.426 -0.118 -10.133 1.00 0.00 N ATOM 875 CA PHE A 55 110.695 -0.574 -9.512 1.00 0.00 C ATOM 876 C PHE A 55 110.326 -1.358 -8.250 1.00 0.00 C ATOM 877 O PHE A 55 109.406 -0.996 -7.552 1.00 0.00 O ATOM 878 CB PHE A 55 111.539 0.645 -9.141 1.00 0.00 C ATOM 879 CG PHE A 55 112.681 0.220 -8.256 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.336 -0.991 -8.494 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.089 1.043 -7.201 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.398 -1.382 -7.678 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.153 0.655 -6.384 1.00 0.00 C ATOM 884 CZ PHE A 55 114.809 -0.559 -6.622 1.00 0.00 C ATOM 0 H PHE A 55 108.587 -0.365 -9.609 1.00 0.00 H new ATOM 0 HA PHE A 55 111.268 -1.199 -10.196 1.00 0.00 H new ATOM 0 HB2 PHE A 55 111.923 1.122 -10.043 1.00 0.00 H new ATOM 0 HB3 PHE A 55 110.923 1.383 -8.627 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.020 -1.624 -9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.581 1.978 -7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 55 114.903 -2.319 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.469 1.290 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.632 -0.861 -5.991 1.00 0.00 H new ATOM 894 N ILE A 56 110.994 -2.435 -7.949 1.00 0.00 N ATOM 895 CA ILE A 56 110.600 -3.199 -6.732 1.00 0.00 C ATOM 896 C ILE A 56 111.825 -3.870 -6.109 1.00 0.00 C ATOM 897 O ILE A 56 112.309 -4.873 -6.588 1.00 0.00 O ATOM 898 CB ILE A 56 109.555 -4.246 -7.125 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.203 -5.124 -5.918 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.097 -5.117 -8.257 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.012 -6.013 -6.280 1.00 0.00 C ATOM 0 H ILE A 56 111.779 -2.814 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 56 110.175 -2.521 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 56 108.654 -3.734 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.059 -5.737 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.960 -4.501 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.350 -5.861 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.323 -4.492 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.005 -5.621 -7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.754 -6.641 -5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.158 -5.388 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.274 -6.644 -7.129 1.00 0.00 H new ATOM 913 N SER A 57 112.334 -3.315 -5.041 1.00 0.00 N ATOM 914 CA SER A 57 113.530 -3.910 -4.385 1.00 0.00 C ATOM 915 C SER A 57 113.193 -4.322 -2.951 1.00 0.00 C ATOM 916 O SER A 57 112.219 -3.880 -2.373 1.00 0.00 O ATOM 917 CB SER A 57 114.653 -2.876 -4.348 1.00 0.00 C ATOM 918 OG SER A 57 114.098 -1.589 -4.107 1.00 0.00 O ATOM 0 H SER A 57 111.970 -2.473 -4.595 1.00 0.00 H new ATOM 0 HA SER A 57 113.843 -4.787 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.370 -3.128 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.197 -2.879 -5.292 1.00 0.00 H new ATOM 0 HG SER A 57 114.010 -1.107 -4.956 1.00 0.00 H new ATOM 924 N ARG A 58 114.009 -5.156 -2.373 1.00 0.00 N ATOM 925 CA ARG A 58 113.779 -5.602 -0.970 1.00 0.00 C ATOM 926 C ARG A 58 115.056 -5.341 -0.167 1.00 0.00 C ATOM 927 O ARG A 58 116.081 -5.951 -0.411 1.00 0.00 O ATOM 928 CB ARG A 58 113.465 -7.099 -0.956 1.00 0.00 C ATOM 929 CG ARG A 58 112.076 -7.327 -0.360 1.00 0.00 C ATOM 930 CD ARG A 58 111.810 -8.829 -0.244 1.00 0.00 C ATOM 931 NE ARG A 58 113.032 -9.513 0.268 1.00 0.00 N ATOM 932 CZ ARG A 58 113.494 -10.570 -0.345 1.00 0.00 C ATOM 933 NH1 ARG A 58 114.165 -10.439 -1.456 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.285 -11.757 0.156 1.00 0.00 N ATOM 0 H ARG A 58 114.836 -5.553 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 58 112.941 -5.058 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.507 -7.499 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.215 -7.632 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 58 112.009 -6.858 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.318 -6.860 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 58 110.971 -9.010 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.533 -9.236 -1.216 1.00 0.00 H new ATOM 0 HE ARG A 58 113.507 -9.156 1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 58 114.329 -9.511 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 58 114.526 -11.265 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 58 112.761 -11.859 1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.645 -12.583 -0.322 1.00 0.00 H new ATOM 948 N HIS A 59 115.018 -4.428 0.772 1.00 0.00 N ATOM 949 CA HIS A 59 116.250 -4.127 1.562 1.00 0.00 C ATOM 950 C HIS A 59 116.044 -4.484 3.037 1.00 0.00 C ATOM 951 O HIS A 59 114.974 -4.888 3.446 1.00 0.00 O ATOM 952 CB HIS A 59 116.573 -2.636 1.445 1.00 0.00 C ATOM 953 CG HIS A 59 116.785 -2.284 -0.001 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.015 -1.875 -0.490 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.932 -2.274 -1.076 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.869 -1.637 -1.806 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.618 -1.865 -2.215 1.00 0.00 N ATOM 0 H HIS A 59 114.194 -3.882 1.024 1.00 0.00 H new ATOM 0 HA HIS A 59 117.074 -4.722 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.758 -2.042 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.466 -2.399 2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.875 -1.773 0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.887 -2.543 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.666 -1.302 -2.453 1.00 0.00 H new ATOM 965 N ASN A 60 117.067 -4.332 3.838 1.00 0.00 N ATOM 966 CA ASN A 60 116.941 -4.652 5.289 1.00 0.00 C ATOM 967 C ASN A 60 117.240 -3.395 6.107 1.00 0.00 C ATOM 968 O ASN A 60 118.028 -2.559 5.711 1.00 0.00 O ATOM 969 CB ASN A 60 117.942 -5.748 5.667 1.00 0.00 C ATOM 970 CG ASN A 60 118.083 -6.739 4.512 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.451 -6.364 3.417 1.00 0.00 O ATOM 972 ND2 ASN A 60 117.806 -7.999 4.714 1.00 0.00 N ATOM 0 H ASN A 60 117.986 -3.999 3.548 1.00 0.00 H new ATOM 0 HA ASN A 60 115.929 -5.000 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.911 -5.305 5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 60 117.606 -6.267 6.565 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.899 -8.670 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.497 -8.312 5.634 1.00 0.00 H new ATOM 979 N SER A 61 116.620 -3.255 7.246 1.00 0.00 N ATOM 980 CA SER A 61 116.872 -2.050 8.085 1.00 0.00 C ATOM 981 C SER A 61 117.465 -2.474 9.429 1.00 0.00 C ATOM 982 O SER A 61 118.667 -2.510 9.604 1.00 0.00 O ATOM 983 CB SER A 61 115.557 -1.306 8.317 1.00 0.00 C ATOM 984 OG SER A 61 114.512 -2.252 8.509 1.00 0.00 O ATOM 0 H SER A 61 115.951 -3.922 7.631 1.00 0.00 H new ATOM 0 HA SER A 61 117.575 -1.393 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.641 -0.657 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.332 -0.666 7.464 1.00 0.00 H new ATOM 0 HG SER A 61 113.704 -1.789 8.816 1.00 0.00 H new ATOM 990 N TYR A 62 116.633 -2.790 10.383 1.00 0.00 N ATOM 991 CA TYR A 62 117.157 -3.205 11.715 1.00 0.00 C ATOM 992 C TYR A 62 116.510 -4.526 12.137 1.00 0.00 C ATOM 993 O TYR A 62 117.183 -5.449 12.551 1.00 0.00 O ATOM 994 CB TYR A 62 116.824 -2.128 12.750 1.00 0.00 C ATOM 995 CG TYR A 62 117.291 -0.786 12.243 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.460 -0.024 11.414 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.556 -0.305 12.600 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.893 1.217 10.943 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.989 0.938 12.129 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.158 1.700 11.299 1.00 0.00 C ATOM 1001 OH TYR A 62 118.584 2.926 10.835 1.00 0.00 O ATOM 0 H TYR A 62 115.617 -2.779 10.299 1.00 0.00 H new ATOM 0 HA TYR A 62 118.237 -3.335 11.652 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.750 -2.106 12.935 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.307 -2.359 13.700 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.484 -0.396 11.139 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.197 -0.894 13.239 1.00 0.00 H new ATOM 0 HE1 TYR A 62 116.251 1.805 10.303 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.964 1.310 12.405 1.00 0.00 H new ATOM 0 HH TYR A 62 119.362 3.220 11.354 1.00 0.00 H new ATOM 1011 N ASN A 63 115.213 -4.621 12.044 1.00 0.00 N ATOM 1012 CA ASN A 63 114.532 -5.881 12.451 1.00 0.00 C ATOM 1013 C ASN A 63 113.670 -6.409 11.302 1.00 0.00 C ATOM 1014 O ASN A 63 113.212 -7.534 11.330 1.00 0.00 O ATOM 1015 CB ASN A 63 113.646 -5.606 13.668 1.00 0.00 C ATOM 1016 CG ASN A 63 114.366 -4.647 14.617 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.295 -5.032 15.298 1.00 0.00 O ATOM 1018 ND2 ASN A 63 113.975 -3.404 14.691 1.00 0.00 N ATOM 0 H ASN A 63 114.597 -3.883 11.705 1.00 0.00 H new ATOM 0 HA ASN A 63 115.284 -6.629 12.702 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.697 -5.175 13.350 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.416 -6.539 14.182 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.450 -2.757 15.320 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.195 -3.080 14.119 1.00 0.00 H new ATOM 1025 N HIS A 64 113.438 -5.613 10.293 1.00 0.00 N ATOM 1026 CA HIS A 64 112.599 -6.093 9.159 1.00 0.00 C ATOM 1027 C HIS A 64 113.113 -5.514 7.840 1.00 0.00 C ATOM 1028 O HIS A 64 114.079 -4.778 7.808 1.00 0.00 O ATOM 1029 CB HIS A 64 111.148 -5.674 9.392 1.00 0.00 C ATOM 1030 CG HIS A 64 110.662 -6.306 10.666 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.116 -5.564 11.699 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.650 -7.610 11.095 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.803 -6.418 12.691 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.107 -7.679 12.374 1.00 0.00 N ATOM 0 H HIS A 64 113.790 -4.660 10.205 1.00 0.00 H new ATOM 0 HA HIS A 64 112.655 -7.180 9.102 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.074 -4.588 9.457 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.525 -5.987 8.554 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.008 -8.455 10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.360 -6.120 13.630 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.971 -8.513 12.946 1.00 0.00 H new ATOM 1042 N ASN A 65 112.484 -5.857 6.749 1.00 0.00 N ATOM 1043 CA ASN A 65 112.946 -5.347 5.427 1.00 0.00 C ATOM 1044 C ASN A 65 111.945 -4.337 4.864 1.00 0.00 C ATOM 1045 O ASN A 65 110.821 -4.231 5.322 1.00 0.00 O ATOM 1046 CB ASN A 65 113.081 -6.522 4.460 1.00 0.00 C ATOM 1047 CG ASN A 65 114.295 -7.362 4.857 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.061 -6.973 5.715 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.503 -8.501 4.265 1.00 0.00 N ATOM 0 H ASN A 65 111.669 -6.469 6.716 1.00 0.00 H new ATOM 0 HA ASN A 65 113.909 -4.851 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.178 -7.132 4.482 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.194 -6.157 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.311 -9.069 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.859 -8.826 3.544 1.00 0.00 H new ATOM 1056 N ILE A 66 112.347 -3.596 3.867 1.00 0.00 N ATOM 1057 CA ILE A 66 111.433 -2.589 3.260 1.00 0.00 C ATOM 1058 C ILE A 66 111.267 -2.883 1.770 1.00 0.00 C ATOM 1059 O ILE A 66 112.184 -2.714 0.988 1.00 0.00 O ATOM 1060 CB ILE A 66 112.031 -1.190 3.429 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.114 -0.847 4.918 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.146 -0.163 2.716 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.363 -1.494 5.520 1.00 0.00 C ATOM 0 H ILE A 66 113.274 -3.646 3.445 1.00 0.00 H new ATOM 0 HA ILE A 66 110.463 -2.638 3.755 1.00 0.00 H new ATOM 0 HB ILE A 66 113.031 -1.169 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.151 0.234 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.222 -1.202 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.573 0.832 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.089 -0.406 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.145 -0.183 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.424 -1.251 6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.307 -2.576 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.250 -1.117 5.010 1.00 0.00 H new ATOM 1075 N LEU A 67 110.103 -3.311 1.364 1.00 0.00 N ATOM 1076 CA LEU A 67 109.880 -3.596 -0.079 1.00 0.00 C ATOM 1077 C LEU A 67 109.572 -2.280 -0.793 1.00 0.00 C ATOM 1078 O LEU A 67 108.460 -1.791 -0.773 1.00 0.00 O ATOM 1079 CB LEU A 67 108.707 -4.570 -0.238 1.00 0.00 C ATOM 1080 CG LEU A 67 108.239 -4.596 -1.695 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.253 -5.364 -2.544 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.879 -5.294 -1.775 1.00 0.00 C ATOM 0 H LEU A 67 109.299 -3.475 1.969 1.00 0.00 H new ATOM 0 HA LEU A 67 110.770 -4.051 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.010 -5.570 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.884 -4.270 0.411 1.00 0.00 H new ATOM 0 HG LEU A 67 108.152 -3.576 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.919 -5.382 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.224 -4.873 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.339 -6.385 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.541 -5.315 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.971 -6.314 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.155 -4.750 -1.168 1.00 0.00 H new ATOM 1094 N PHE A 68 110.557 -1.709 -1.423 1.00 0.00 N ATOM 1095 CA PHE A 68 110.351 -0.423 -2.146 1.00 0.00 C ATOM 1096 C PHE A 68 109.670 -0.720 -3.483 1.00 0.00 C ATOM 1097 O PHE A 68 110.266 -1.301 -4.361 1.00 0.00 O ATOM 1098 CB PHE A 68 111.725 0.197 -2.411 1.00 0.00 C ATOM 1099 CG PHE A 68 111.647 1.697 -2.317 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.036 2.300 -1.213 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.195 2.485 -3.334 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.972 3.692 -1.125 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.132 3.877 -3.249 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.519 4.484 -2.145 1.00 0.00 C ATOM 0 H PHE A 68 111.506 -2.081 -1.469 1.00 0.00 H new ATOM 0 HA PHE A 68 109.734 0.258 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.448 -0.182 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.079 -0.094 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.614 1.689 -0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.667 2.017 -4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.502 4.158 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.556 4.486 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.468 5.561 -2.080 1.00 0.00 H new ATOM 1114 N PHE A 69 108.431 -0.341 -3.657 1.00 0.00 N ATOM 1115 CA PHE A 69 107.768 -0.643 -4.957 1.00 0.00 C ATOM 1116 C PHE A 69 107.026 0.585 -5.496 1.00 0.00 C ATOM 1117 O PHE A 69 106.128 1.121 -4.874 1.00 0.00 O ATOM 1118 CB PHE A 69 106.810 -1.833 -4.794 1.00 0.00 C ATOM 1119 CG PHE A 69 105.499 -1.403 -4.176 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.401 -1.219 -2.791 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.374 -1.211 -4.987 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.179 -0.840 -2.221 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.153 -0.834 -4.417 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.054 -0.646 -3.035 1.00 0.00 C ATOM 0 H PHE A 69 107.861 0.154 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 69 108.536 -0.909 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.624 -2.288 -5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.276 -2.595 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.267 -1.369 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.449 -1.354 -6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.103 -0.697 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.286 -0.688 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.112 -0.352 -2.595 1.00 0.00 H new ATOM 1134 N LEU A 70 107.414 1.020 -6.666 1.00 0.00 N ATOM 1135 CA LEU A 70 106.773 2.200 -7.310 1.00 0.00 C ATOM 1136 C LEU A 70 105.629 1.716 -8.199 1.00 0.00 C ATOM 1137 O LEU A 70 105.427 0.530 -8.365 1.00 0.00 O ATOM 1138 CB LEU A 70 107.811 2.903 -8.187 1.00 0.00 C ATOM 1139 CG LEU A 70 108.008 4.345 -7.726 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.113 4.396 -6.667 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.413 5.195 -8.933 1.00 0.00 C ATOM 0 H LEU A 70 108.164 0.596 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 70 106.394 2.883 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.759 2.367 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.487 2.888 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 70 107.083 4.729 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.254 5.425 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.829 3.778 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.043 4.021 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.557 6.229 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.342 4.811 -9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.628 5.152 -9.688 1.00 0.00 H new ATOM 1153 N THR A 71 104.879 2.612 -8.780 1.00 0.00 N ATOM 1154 CA THR A 71 103.760 2.171 -9.659 1.00 0.00 C ATOM 1155 C THR A 71 103.585 3.143 -10.834 1.00 0.00 C ATOM 1156 O THR A 71 103.902 4.311 -10.725 1.00 0.00 O ATOM 1157 CB THR A 71 102.464 2.142 -8.856 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.229 3.424 -8.287 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.550 1.099 -7.739 1.00 0.00 C ATOM 0 H THR A 71 104.991 3.621 -8.685 1.00 0.00 H new ATOM 0 HA THR A 71 103.992 1.177 -10.042 1.00 0.00 H new ATOM 0 HB THR A 71 101.644 1.877 -9.524 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.274 3.636 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.617 1.091 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.720 0.114 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.375 1.348 -7.071 1.00 0.00 H new ATOM 1167 N PRO A 72 103.060 2.623 -11.921 1.00 0.00 N ATOM 1168 CA PRO A 72 102.795 3.409 -13.138 1.00 0.00 C ATOM 1169 C PRO A 72 101.486 4.188 -12.972 1.00 0.00 C ATOM 1170 O PRO A 72 101.485 5.330 -12.558 1.00 0.00 O ATOM 1171 CB PRO A 72 102.660 2.345 -14.231 1.00 0.00 C ATOM 1172 CG PRO A 72 102.286 1.027 -13.511 1.00 0.00 C ATOM 1173 CD PRO A 72 102.690 1.199 -12.033 1.00 0.00 C ATOM 0 HA PRO A 72 103.570 4.141 -13.363 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.893 2.625 -14.953 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.593 2.235 -14.784 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.218 0.827 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.807 0.180 -13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.867 0.948 -11.364 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.525 0.549 -11.770 1.00 0.00 H new ATOM 1181 N HIS A 73 100.369 3.574 -13.274 1.00 0.00 N ATOM 1182 CA HIS A 73 99.067 4.282 -13.111 1.00 0.00 C ATOM 1183 C HIS A 73 98.949 4.735 -11.652 1.00 0.00 C ATOM 1184 O HIS A 73 98.471 4.017 -10.806 1.00 0.00 O ATOM 1185 CB HIS A 73 97.914 3.332 -13.466 1.00 0.00 C ATOM 1186 CG HIS A 73 97.922 2.150 -12.534 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.120 2.097 -11.408 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.648 0.984 -12.531 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.385 0.941 -10.770 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.306 0.222 -11.417 1.00 0.00 N ATOM 0 H HIS A 73 100.305 2.618 -13.624 1.00 0.00 H new ATOM 0 HA HIS A 73 99.018 5.146 -13.773 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.962 3.858 -13.393 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.013 2.994 -14.498 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.374 0.701 -13.279 1.00 0.00 H new ATOM 0 HE1 HIS A 73 96.911 0.633 -9.849 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.679 -0.690 -11.152 1.00 0.00 H new ATOM 1198 N ARG A 74 99.415 5.917 -11.357 1.00 0.00 N ATOM 1199 CA ARG A 74 99.379 6.434 -9.954 1.00 0.00 C ATOM 1200 C ARG A 74 98.097 6.016 -9.222 1.00 0.00 C ATOM 1201 O ARG A 74 97.029 5.941 -9.795 1.00 0.00 O ATOM 1202 CB ARG A 74 99.458 7.961 -9.987 1.00 0.00 C ATOM 1203 CG ARG A 74 98.467 8.499 -11.021 1.00 0.00 C ATOM 1204 CD ARG A 74 98.907 9.891 -11.474 1.00 0.00 C ATOM 1205 NE ARG A 74 97.716 10.668 -11.915 1.00 0.00 N ATOM 1206 CZ ARG A 74 97.868 11.844 -12.460 1.00 0.00 C ATOM 1207 NH1 ARG A 74 98.002 12.900 -11.706 1.00 0.00 N ATOM 1208 NH2 ARG A 74 97.890 11.964 -13.759 1.00 0.00 N ATOM 0 H ARG A 74 99.826 6.558 -12.036 1.00 0.00 H new ATOM 0 HA ARG A 74 100.227 6.010 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 74 99.231 8.369 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 74 100.470 8.278 -10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 74 98.417 7.826 -11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 74 97.466 8.544 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.411 10.409 -10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.624 9.810 -12.291 1.00 0.00 H new ATOM 0 HE ARG A 74 96.781 10.281 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 97.988 12.807 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 74 98.121 13.819 -12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 74 97.788 11.138 -14.349 1.00 0.00 H new ATOM 0 HH22 ARG A 74 98.009 12.883 -14.184 1.00 0.00 H new ATOM 1222 N HIS A 75 98.209 5.778 -7.936 1.00 0.00 N ATOM 1223 CA HIS A 75 97.017 5.399 -7.114 1.00 0.00 C ATOM 1224 C HIS A 75 97.162 6.037 -5.741 1.00 0.00 C ATOM 1225 O HIS A 75 98.247 6.099 -5.196 1.00 0.00 O ATOM 1226 CB HIS A 75 96.933 3.883 -6.893 1.00 0.00 C ATOM 1227 CG HIS A 75 98.085 3.187 -7.541 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.039 2.760 -8.845 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.312 2.823 -7.068 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.213 2.163 -9.115 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.022 2.174 -8.061 1.00 0.00 N ATOM 0 H HIS A 75 99.085 5.831 -7.417 1.00 0.00 H new ATOM 0 HA HIS A 75 96.126 5.735 -7.644 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.926 3.667 -5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.997 3.503 -7.301 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.258 2.875 -9.490 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.674 3.013 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.467 1.728 -10.070 1.00 0.00 H new ATOM 1239 N ARG A 76 96.095 6.483 -5.149 1.00 0.00 N ATOM 1240 CA ARG A 76 96.234 7.064 -3.794 1.00 0.00 C ATOM 1241 C ARG A 76 96.968 6.033 -2.937 1.00 0.00 C ATOM 1242 O ARG A 76 96.606 4.864 -2.904 1.00 0.00 O ATOM 1243 CB ARG A 76 94.852 7.359 -3.203 1.00 0.00 C ATOM 1244 CG ARG A 76 94.606 8.870 -3.220 1.00 0.00 C ATOM 1245 CD ARG A 76 93.237 9.177 -2.613 1.00 0.00 C ATOM 1246 NE ARG A 76 92.170 8.854 -3.604 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.777 9.760 -4.458 1.00 0.00 C ATOM 1248 NH1 ARG A 76 92.526 10.061 -5.482 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.632 10.364 -4.287 1.00 0.00 N ATOM 0 H ARG A 76 95.151 6.471 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 76 96.788 8.002 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.081 6.847 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.792 6.981 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.387 9.381 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.653 9.244 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.092 8.594 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.180 10.228 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 76 91.748 7.926 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 76 93.420 9.588 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 76 92.218 10.769 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.045 10.128 -3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.324 11.072 -4.954 1.00 0.00 H new ATOM 1263 N VAL A 77 98.015 6.425 -2.270 1.00 0.00 N ATOM 1264 CA VAL A 77 98.755 5.428 -1.459 1.00 0.00 C ATOM 1265 C VAL A 77 97.833 4.903 -0.355 1.00 0.00 C ATOM 1266 O VAL A 77 98.103 3.894 0.266 1.00 0.00 O ATOM 1267 CB VAL A 77 100.047 6.046 -0.898 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.428 5.380 0.429 1.00 0.00 C ATOM 1269 CG2 VAL A 77 101.182 5.830 -1.917 1.00 0.00 C ATOM 0 H VAL A 77 98.384 7.376 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 77 99.056 4.585 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 77 99.889 7.110 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.344 5.829 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.625 5.523 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.586 4.314 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 77 102.105 6.264 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.324 4.762 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.921 6.311 -2.860 1.00 0.00 H new ATOM 1279 N SER A 78 96.718 5.549 -0.143 1.00 0.00 N ATOM 1280 CA SER A 78 95.760 5.049 0.879 1.00 0.00 C ATOM 1281 C SER A 78 94.984 3.891 0.248 1.00 0.00 C ATOM 1282 O SER A 78 94.609 2.941 0.904 1.00 0.00 O ATOM 1283 CB SER A 78 94.794 6.166 1.280 1.00 0.00 C ATOM 1284 OG SER A 78 93.471 5.649 1.339 1.00 0.00 O ATOM 0 H SER A 78 96.432 6.397 -0.632 1.00 0.00 H new ATOM 0 HA SER A 78 96.288 4.719 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 78 95.079 6.578 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.845 6.982 0.559 1.00 0.00 H new ATOM 0 HG SER A 78 92.852 6.363 1.597 1.00 0.00 H new ATOM 1290 N ALA A 79 94.761 3.968 -1.039 1.00 0.00 N ATOM 1291 CA ALA A 79 94.031 2.881 -1.749 1.00 0.00 C ATOM 1292 C ALA A 79 94.857 1.597 -1.685 1.00 0.00 C ATOM 1293 O ALA A 79 94.372 0.564 -1.274 1.00 0.00 O ATOM 1294 CB ALA A 79 93.824 3.271 -3.214 1.00 0.00 C ATOM 0 H ALA A 79 95.057 4.744 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 79 93.062 2.725 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.290 2.474 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.242 4.191 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.792 3.426 -3.690 1.00 0.00 H new ATOM 1300 N ILE A 80 96.102 1.646 -2.085 1.00 0.00 N ATOM 1301 CA ILE A 80 96.935 0.410 -2.027 1.00 0.00 C ATOM 1302 C ILE A 80 97.104 0.004 -0.565 1.00 0.00 C ATOM 1303 O ILE A 80 97.243 -1.159 -0.247 1.00 0.00 O ATOM 1304 CB ILE A 80 98.313 0.657 -2.639 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.144 1.304 -4.036 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.063 -0.681 -2.728 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.886 0.509 -5.118 1.00 0.00 C ATOM 0 H ILE A 80 96.572 2.477 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 80 96.440 -0.380 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 80 98.893 1.339 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.085 1.360 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.520 2.327 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.049 -0.517 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.173 -1.103 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.500 -1.373 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.745 0.992 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.949 0.476 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.491 -0.506 -5.159 1.00 0.00 H new ATOM 1319 N ASN A 81 97.085 0.953 0.333 1.00 0.00 N ATOM 1320 CA ASN A 81 97.230 0.601 1.771 1.00 0.00 C ATOM 1321 C ASN A 81 96.232 -0.511 2.087 1.00 0.00 C ATOM 1322 O ASN A 81 96.427 -1.305 2.985 1.00 0.00 O ATOM 1323 CB ASN A 81 96.933 1.826 2.638 1.00 0.00 C ATOM 1324 CG ASN A 81 96.772 1.391 4.096 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.735 1.324 4.833 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.584 1.091 4.546 1.00 0.00 N ATOM 0 H ASN A 81 96.976 1.947 0.133 1.00 0.00 H new ATOM 0 HA ASN A 81 98.247 0.268 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.742 2.551 2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.024 2.319 2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.465 0.800 5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.775 1.147 3.927 1.00 0.00 H new ATOM 1333 N ASN A 82 95.166 -0.575 1.335 1.00 0.00 N ATOM 1334 CA ASN A 82 94.149 -1.635 1.562 1.00 0.00 C ATOM 1335 C ASN A 82 94.734 -2.979 1.117 1.00 0.00 C ATOM 1336 O ASN A 82 94.610 -3.978 1.797 1.00 0.00 O ATOM 1337 CB ASN A 82 92.872 -1.297 0.767 1.00 0.00 C ATOM 1338 CG ASN A 82 92.881 -1.985 -0.605 1.00 0.00 C ATOM 1339 OD1 ASN A 82 93.663 -1.640 -1.467 1.00 0.00 O ATOM 1340 ND2 ASN A 82 92.036 -2.953 -0.841 1.00 0.00 N ATOM 0 H ASN A 82 94.957 0.066 0.570 1.00 0.00 H new ATOM 0 HA ASN A 82 93.887 -1.696 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 82 91.994 -1.613 1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.796 -0.218 0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 82 92.034 -3.418 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.378 -3.244 -0.117 1.00 0.00 H new ATOM 1347 N TYR A 83 95.380 -3.010 -0.020 1.00 0.00 N ATOM 1348 CA TYR A 83 95.980 -4.291 -0.494 1.00 0.00 C ATOM 1349 C TYR A 83 97.039 -4.744 0.515 1.00 0.00 C ATOM 1350 O TYR A 83 96.936 -5.802 1.104 1.00 0.00 O ATOM 1351 CB TYR A 83 96.625 -4.080 -1.872 1.00 0.00 C ATOM 1352 CG TYR A 83 97.578 -5.217 -2.186 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.374 -6.487 -1.627 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.667 -4.998 -3.037 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.258 -7.530 -1.919 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.551 -6.043 -3.329 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.347 -7.309 -2.769 1.00 0.00 C ATOM 1358 OH TYR A 83 100.218 -8.340 -3.057 1.00 0.00 O ATOM 0 H TYR A 83 95.517 -2.209 -0.637 1.00 0.00 H new ATOM 0 HA TYR A 83 95.207 -5.054 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 83 95.852 -4.022 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.162 -3.131 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.534 -6.659 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.826 -4.021 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.100 -8.508 -1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.391 -5.872 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 83 101.096 -7.971 -3.290 1.00 0.00 H new ATOM 1368 N ALA A 84 98.054 -3.951 0.720 1.00 0.00 N ATOM 1369 CA ALA A 84 99.114 -4.339 1.692 1.00 0.00 C ATOM 1370 C ALA A 84 98.469 -4.676 3.035 1.00 0.00 C ATOM 1371 O ALA A 84 98.924 -5.544 3.752 1.00 0.00 O ATOM 1372 CB ALA A 84 100.094 -3.176 1.872 1.00 0.00 C ATOM 0 H ALA A 84 98.195 -3.053 0.258 1.00 0.00 H new ATOM 0 HA ALA A 84 99.652 -5.210 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 84 100.869 -3.460 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.552 -2.935 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.559 -2.304 2.248 1.00 0.00 H new ATOM 1378 N GLN A 85 97.409 -4.000 3.379 1.00 0.00 N ATOM 1379 CA GLN A 85 96.736 -4.287 4.676 1.00 0.00 C ATOM 1380 C GLN A 85 96.169 -5.708 4.646 1.00 0.00 C ATOM 1381 O GLN A 85 96.206 -6.421 5.629 1.00 0.00 O ATOM 1382 CB GLN A 85 95.600 -3.285 4.897 1.00 0.00 C ATOM 1383 CG GLN A 85 95.028 -3.462 6.305 1.00 0.00 C ATOM 1384 CD GLN A 85 95.937 -2.760 7.316 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.091 -1.556 7.278 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.549 -3.467 8.225 1.00 0.00 N ATOM 0 H GLN A 85 96.980 -3.263 2.820 1.00 0.00 H new ATOM 0 HA GLN A 85 97.456 -4.198 5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.969 -2.267 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.817 -3.437 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.021 -3.047 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.948 -4.522 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.420 -4.478 8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.157 -3.009 8.904 1.00 0.00 H new ATOM 1395 N LYS A 86 95.651 -6.129 3.523 1.00 0.00 N ATOM 1396 CA LYS A 86 95.095 -7.507 3.435 1.00 0.00 C ATOM 1397 C LYS A 86 96.190 -8.495 3.826 1.00 0.00 C ATOM 1398 O LYS A 86 95.928 -9.627 4.186 1.00 0.00 O ATOM 1399 CB LYS A 86 94.640 -7.786 2.000 1.00 0.00 C ATOM 1400 CG LYS A 86 93.134 -8.055 1.983 1.00 0.00 C ATOM 1401 CD LYS A 86 92.377 -6.730 2.061 1.00 0.00 C ATOM 1402 CE LYS A 86 91.023 -6.871 1.362 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.077 -7.598 2.256 1.00 0.00 N ATOM 0 H LYS A 86 95.590 -5.579 2.666 1.00 0.00 H new ATOM 0 HA LYS A 86 94.241 -7.610 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.875 -6.935 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.178 -8.645 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.860 -8.589 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.859 -8.693 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.232 -6.443 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.960 -5.938 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.624 -5.887 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.141 -7.411 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.156 -7.695 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.457 -8.542 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.957 -7.065 3.141 1.00 0.00 H new ATOM 1417 N LEU A 87 97.419 -8.065 3.762 1.00 0.00 N ATOM 1418 CA LEU A 87 98.550 -8.957 4.129 1.00 0.00 C ATOM 1419 C LEU A 87 98.972 -8.665 5.570 1.00 0.00 C ATOM 1420 O LEU A 87 100.142 -8.639 5.891 1.00 0.00 O ATOM 1421 CB LEU A 87 99.726 -8.695 3.183 1.00 0.00 C ATOM 1422 CG LEU A 87 99.220 -8.688 1.739 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.829 -7.504 0.986 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.629 -9.990 1.051 1.00 0.00 C ATOM 0 H LEU A 87 97.689 -7.126 3.469 1.00 0.00 H new ATOM 0 HA LEU A 87 98.244 -10.000 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.194 -7.740 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.488 -9.464 3.310 1.00 0.00 H new ATOM 0 HG LEU A 87 98.134 -8.598 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.467 -7.502 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.539 -6.574 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.915 -7.592 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.269 -9.986 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.715 -10.078 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.194 -10.835 1.584 1.00 0.00 H new ATOM 1436 N CYS A 88 98.027 -8.441 6.440 1.00 0.00 N ATOM 1437 CA CYS A 88 98.374 -8.147 7.859 1.00 0.00 C ATOM 1438 C CYS A 88 97.791 -9.238 8.760 1.00 0.00 C ATOM 1439 O CYS A 88 97.517 -9.016 9.923 1.00 0.00 O ATOM 1440 CB CYS A 88 97.788 -6.791 8.257 1.00 0.00 C ATOM 1441 SG CYS A 88 95.984 -6.909 8.329 1.00 0.00 S ATOM 0 H CYS A 88 97.029 -8.449 6.230 1.00 0.00 H new ATOM 0 HA CYS A 88 99.458 -8.121 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.182 -6.483 9.226 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.084 -6.029 7.536 1.00 0.00 H new ATOM 0 HG CYS A 88 95.492 -6.770 7.134 1.00 0.00 H new ATOM 1447 N THR A 89 97.596 -10.414 8.231 1.00 0.00 N ATOM 1448 CA THR A 89 97.027 -11.516 9.056 1.00 0.00 C ATOM 1449 C THR A 89 98.102 -12.574 9.309 1.00 0.00 C ATOM 1450 O THR A 89 97.809 -13.684 9.707 1.00 0.00 O ATOM 1451 CB THR A 89 95.852 -12.151 8.312 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.294 -13.187 9.107 1.00 0.00 O ATOM 1453 CG2 THR A 89 96.342 -12.731 6.984 1.00 0.00 C ATOM 0 H THR A 89 97.806 -10.659 7.263 1.00 0.00 H new ATOM 0 HA THR A 89 96.682 -11.116 10.009 1.00 0.00 H new ATOM 0 HB THR A 89 95.092 -11.394 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.011 -13.656 9.583 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.504 -13.184 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 89 96.770 -11.935 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 89 97.102 -13.489 7.176 1.00 0.00 H new ATOM 1461 N PHE A 90 99.343 -12.243 9.082 1.00 0.00 N ATOM 1462 CA PHE A 90 100.427 -13.237 9.312 1.00 0.00 C ATOM 1463 C PHE A 90 101.731 -12.510 9.648 1.00 0.00 C ATOM 1464 O PHE A 90 102.804 -13.074 9.563 1.00 0.00 O ATOM 1465 CB PHE A 90 100.621 -14.080 8.048 1.00 0.00 C ATOM 1466 CG PHE A 90 101.134 -13.208 6.927 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.339 -12.169 6.424 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.405 -13.439 6.389 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.817 -11.364 5.382 1.00 0.00 C ATOM 1470 CE2 PHE A 90 102.882 -12.634 5.347 1.00 0.00 C ATOM 1471 CZ PHE A 90 102.088 -11.597 4.844 1.00 0.00 C ATOM 0 H PHE A 90 99.652 -11.330 8.748 1.00 0.00 H new ATOM 0 HA PHE A 90 100.153 -13.885 10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.325 -14.889 8.243 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.677 -14.542 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.358 -11.989 6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.018 -14.238 6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.205 -10.563 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 90 103.863 -12.813 4.932 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.456 -10.976 4.040 1.00 0.00 H new ATOM 1481 N SER A 91 101.650 -11.265 10.032 1.00 0.00 N ATOM 1482 CA SER A 91 102.889 -10.510 10.374 1.00 0.00 C ATOM 1483 C SER A 91 102.587 -9.009 10.407 1.00 0.00 C ATOM 1484 O SER A 91 101.759 -8.517 9.668 1.00 0.00 O ATOM 1485 CB SER A 91 103.961 -10.789 9.320 1.00 0.00 C ATOM 1486 OG SER A 91 104.926 -9.747 9.344 1.00 0.00 O ATOM 0 H SER A 91 100.781 -10.739 10.124 1.00 0.00 H new ATOM 0 HA SER A 91 103.246 -10.828 11.353 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.440 -11.748 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 91 103.507 -10.857 8.332 1.00 0.00 H new ATOM 0 HG SER A 91 105.680 -9.986 8.766 1.00 0.00 H new ATOM 1492 N PHE A 92 103.256 -8.278 11.258 1.00 0.00 N ATOM 1493 CA PHE A 92 103.012 -6.810 11.337 1.00 0.00 C ATOM 1494 C PHE A 92 103.213 -6.191 9.947 1.00 0.00 C ATOM 1495 O PHE A 92 103.675 -6.846 9.034 1.00 0.00 O ATOM 1496 CB PHE A 92 103.986 -6.191 12.352 1.00 0.00 C ATOM 1497 CG PHE A 92 105.299 -5.849 11.682 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.468 -4.593 11.097 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.343 -6.782 11.650 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.677 -4.264 10.478 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.552 -6.455 11.032 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.722 -5.195 10.445 1.00 0.00 C ATOM 0 H PHE A 92 103.962 -8.635 11.902 1.00 0.00 H new ATOM 0 HA PHE A 92 101.991 -6.613 11.665 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.547 -5.293 12.786 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.159 -6.889 13.171 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.663 -3.874 11.123 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.213 -7.754 12.103 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.805 -3.292 10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.357 -7.175 11.007 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.657 -4.942 9.968 1.00 0.00 H new ATOM 1512 N LEU A 93 102.868 -4.942 9.770 1.00 0.00 N ATOM 1513 CA LEU A 93 103.050 -4.322 8.426 1.00 0.00 C ATOM 1514 C LEU A 93 103.043 -2.789 8.522 1.00 0.00 C ATOM 1515 O LEU A 93 102.188 -2.197 9.149 1.00 0.00 O ATOM 1516 CB LEU A 93 101.911 -4.777 7.511 1.00 0.00 C ATOM 1517 CG LEU A 93 102.218 -4.375 6.068 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.572 -5.373 5.108 1.00 0.00 C ATOM 1519 CD2 LEU A 93 101.653 -2.982 5.797 1.00 0.00 C ATOM 0 H LEU A 93 102.474 -4.333 10.487 1.00 0.00 H new ATOM 0 HA LEU A 93 104.012 -4.637 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.786 -5.858 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.972 -4.327 7.832 1.00 0.00 H new ATOM 0 HG LEU A 93 103.298 -4.371 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.792 -5.084 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 93 101.969 -6.370 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.493 -5.378 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.871 -2.695 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 93 100.574 -2.991 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 93 102.110 -2.265 6.479 1.00 0.00 H new ATOM 1531 N ILE A 94 103.979 -2.148 7.868 1.00 0.00 N ATOM 1532 CA ILE A 94 104.026 -0.653 7.874 1.00 0.00 C ATOM 1533 C ILE A 94 104.032 -0.178 6.420 1.00 0.00 C ATOM 1534 O ILE A 94 105.019 0.325 5.921 1.00 0.00 O ATOM 1535 CB ILE A 94 105.295 -0.156 8.588 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.097 -0.242 10.102 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.574 1.307 8.210 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.163 -1.701 10.544 1.00 0.00 C ATOM 0 H ILE A 94 104.717 -2.599 7.327 1.00 0.00 H new ATOM 0 HA ILE A 94 103.161 -0.256 8.406 1.00 0.00 H new ATOM 0 HB ILE A 94 106.136 -0.779 8.283 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.865 0.339 10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.135 0.189 10.378 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.474 1.649 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.717 1.383 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.729 1.927 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.022 -1.761 11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 94 104.379 -2.269 10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.136 -2.117 10.282 1.00 0.00 H new ATOM 1550 N CYS A 95 102.939 -0.343 5.733 1.00 0.00 N ATOM 1551 CA CYS A 95 102.884 0.089 4.312 1.00 0.00 C ATOM 1552 C CYS A 95 102.482 1.565 4.252 1.00 0.00 C ATOM 1553 O CYS A 95 101.394 1.933 4.645 1.00 0.00 O ATOM 1554 CB CYS A 95 101.849 -0.757 3.563 1.00 0.00 C ATOM 1555 SG CYS A 95 101.511 -0.020 1.943 1.00 0.00 S ATOM 0 H CYS A 95 102.081 -0.759 6.095 1.00 0.00 H new ATOM 0 HA CYS A 95 103.861 -0.043 3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.218 -1.775 3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.928 -0.820 4.143 1.00 0.00 H new ATOM 0 HG CYS A 95 100.373 -0.461 1.495 1.00 0.00 H new ATOM 1561 N LYS A 96 103.345 2.415 3.768 1.00 0.00 N ATOM 1562 CA LYS A 96 102.990 3.862 3.697 1.00 0.00 C ATOM 1563 C LYS A 96 103.431 4.438 2.350 1.00 0.00 C ATOM 1564 O LYS A 96 103.819 3.717 1.454 1.00 0.00 O ATOM 1565 CB LYS A 96 103.692 4.613 4.830 1.00 0.00 C ATOM 1566 CG LYS A 96 102.742 5.661 5.417 1.00 0.00 C ATOM 1567 CD LYS A 96 102.478 5.345 6.891 1.00 0.00 C ATOM 1568 CE LYS A 96 101.459 6.338 7.452 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.088 7.135 8.544 1.00 0.00 N ATOM 0 H LYS A 96 104.273 2.174 3.421 1.00 0.00 H new ATOM 0 HA LYS A 96 101.911 3.975 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.002 3.913 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.595 5.095 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.177 6.656 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.804 5.668 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.104 4.327 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.407 5.402 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.107 7.000 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.588 5.805 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.481 7.948 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.202 6.538 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.020 7.476 8.233 1.00 0.00 H new ATOM 1583 N GLY A 97 103.372 5.733 2.201 1.00 0.00 N ATOM 1584 CA GLY A 97 103.789 6.358 0.914 1.00 0.00 C ATOM 1585 C GLY A 97 105.127 7.069 1.112 1.00 0.00 C ATOM 1586 O GLY A 97 105.564 7.286 2.225 1.00 0.00 O ATOM 0 H GLY A 97 103.052 6.386 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.879 5.597 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.033 7.067 0.578 1.00 0.00 H new ATOM 1590 N VAL A 98 105.789 7.429 0.047 1.00 0.00 N ATOM 1591 CA VAL A 98 107.103 8.118 0.198 1.00 0.00 C ATOM 1592 C VAL A 98 107.109 9.422 -0.602 1.00 0.00 C ATOM 1593 O VAL A 98 106.720 9.460 -1.752 1.00 0.00 O ATOM 1594 CB VAL A 98 108.216 7.204 -0.318 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.571 7.883 -0.109 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.185 5.882 0.450 1.00 0.00 C ATOM 0 H VAL A 98 105.481 7.278 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 98 107.267 8.345 1.251 1.00 0.00 H new ATOM 0 HB VAL A 98 108.066 7.012 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.365 7.232 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.593 8.826 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.722 8.075 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.978 5.230 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.336 6.075 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.219 5.398 0.303 1.00 0.00 H new ATOM 1606 N ASN A 99 107.571 10.489 -0.006 1.00 0.00 N ATOM 1607 CA ASN A 99 107.624 11.787 -0.736 1.00 0.00 C ATOM 1608 C ASN A 99 108.855 11.776 -1.642 1.00 0.00 C ATOM 1609 O ASN A 99 108.757 11.908 -2.845 1.00 0.00 O ATOM 1610 CB ASN A 99 107.740 12.937 0.268 1.00 0.00 C ATOM 1611 CG ASN A 99 106.350 13.317 0.779 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.371 13.174 0.074 1.00 0.00 O ATOM 1613 ND2 ASN A 99 106.220 13.799 1.985 1.00 0.00 N ATOM 0 H ASN A 99 107.914 10.517 0.954 1.00 0.00 H new ATOM 0 HA ASN A 99 106.719 11.923 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.376 12.642 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.213 13.798 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.297 14.055 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 99 107.042 13.919 2.577 1.00 0.00 H new ATOM 1620 N LYS A 100 110.012 11.597 -1.068 1.00 0.00 N ATOM 1621 CA LYS A 100 111.255 11.551 -1.886 1.00 0.00 C ATOM 1622 C LYS A 100 111.560 10.089 -2.220 1.00 0.00 C ATOM 1623 O LYS A 100 112.058 9.347 -1.397 1.00 0.00 O ATOM 1624 CB LYS A 100 112.417 12.150 -1.091 1.00 0.00 C ATOM 1625 CG LYS A 100 111.958 13.440 -0.409 1.00 0.00 C ATOM 1626 CD LYS A 100 113.056 14.499 -0.526 1.00 0.00 C ATOM 1627 CE LYS A 100 113.310 15.129 0.846 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.449 16.605 0.697 1.00 0.00 N ATOM 0 H LYS A 100 110.150 11.480 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 100 111.122 12.125 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.767 11.437 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.257 12.356 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.039 13.801 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.733 13.249 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.972 14.047 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.760 15.267 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.487 14.897 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 100 114.214 14.711 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.622 17.033 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.248 16.816 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 112.575 16.997 0.292 1.00 0.00 H new ATOM 1642 N GLU A 101 111.251 9.666 -3.413 1.00 0.00 N ATOM 1643 CA GLU A 101 111.511 8.246 -3.788 1.00 0.00 C ATOM 1644 C GLU A 101 113.019 8.011 -3.901 1.00 0.00 C ATOM 1645 O GLU A 101 113.627 7.400 -3.045 1.00 0.00 O ATOM 1646 CB GLU A 101 110.841 7.916 -5.132 1.00 0.00 C ATOM 1647 CG GLU A 101 109.643 8.840 -5.375 1.00 0.00 C ATOM 1648 CD GLU A 101 108.809 8.298 -6.537 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.285 7.403 -7.214 1.00 0.00 O ATOM 1650 OE2 GLU A 101 107.709 8.787 -6.729 1.00 0.00 O ATOM 0 H GLU A 101 110.831 10.239 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 101 111.095 7.599 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.563 8.026 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.513 6.877 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 101 109.032 8.906 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.988 9.849 -5.601 1.00 0.00 H new ATOM 1657 N TYR A 102 113.621 8.480 -4.960 1.00 0.00 N ATOM 1658 CA TYR A 102 115.089 8.279 -5.149 1.00 0.00 C ATOM 1659 C TYR A 102 115.827 8.442 -3.816 1.00 0.00 C ATOM 1660 O TYR A 102 116.862 7.845 -3.597 1.00 0.00 O ATOM 1661 CB TYR A 102 115.615 9.313 -6.147 1.00 0.00 C ATOM 1662 CG TYR A 102 117.099 9.115 -6.342 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.993 9.466 -5.324 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.580 8.580 -7.543 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.368 9.282 -5.505 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.957 8.397 -7.725 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.850 8.747 -6.706 1.00 0.00 C ATOM 1668 OH TYR A 102 121.206 8.564 -6.885 1.00 0.00 O ATOM 0 H TYR A 102 113.158 8.997 -5.707 1.00 0.00 H new ATOM 0 HA TYR A 102 115.262 7.272 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.095 9.212 -7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.417 10.321 -5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.621 9.879 -4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.890 8.309 -8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.057 9.552 -4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.329 7.986 -8.652 1.00 0.00 H new ATOM 0 HH TYR A 102 121.370 8.183 -7.773 1.00 0.00 H new ATOM 1678 N LEU A 103 115.312 9.245 -2.927 1.00 0.00 N ATOM 1679 CA LEU A 103 115.994 9.442 -1.619 1.00 0.00 C ATOM 1680 C LEU A 103 115.793 8.215 -0.728 1.00 0.00 C ATOM 1681 O LEU A 103 116.735 7.536 -0.373 1.00 0.00 O ATOM 1682 CB LEU A 103 115.420 10.673 -0.930 1.00 0.00 C ATOM 1683 CG LEU A 103 116.552 11.669 -0.707 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.564 11.080 0.271 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.252 11.947 -2.034 1.00 0.00 C ATOM 0 H LEU A 103 114.448 9.773 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 103 117.061 9.581 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.636 11.120 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.964 10.398 0.021 1.00 0.00 H new ATOM 0 HG LEU A 103 116.142 12.594 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.373 11.793 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 103 117.073 10.871 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.970 10.155 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.062 12.659 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.659 11.018 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.536 12.363 -2.743 1.00 0.00 H new ATOM 1697 N MET A 104 114.574 7.930 -0.356 1.00 0.00 N ATOM 1698 CA MET A 104 114.316 6.751 0.520 1.00 0.00 C ATOM 1699 C MET A 104 115.158 5.561 0.050 1.00 0.00 C ATOM 1700 O MET A 104 115.756 4.861 0.843 1.00 0.00 O ATOM 1701 CB MET A 104 112.832 6.381 0.457 1.00 0.00 C ATOM 1702 CG MET A 104 112.544 5.253 1.450 1.00 0.00 C ATOM 1703 SD MET A 104 112.046 5.959 3.041 1.00 0.00 S ATOM 1704 CE MET A 104 111.346 4.447 3.749 1.00 0.00 C ATOM 0 H MET A 104 113.746 8.463 -0.621 1.00 0.00 H new ATOM 0 HA MET A 104 114.587 7.001 1.546 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.219 7.251 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.567 6.067 -0.553 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.755 4.607 1.064 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.430 4.632 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.199 4.581 4.821 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.388 4.233 3.276 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.029 3.615 3.578 1.00 0.00 H new ATOM 1714 N TYR A 105 115.210 5.325 -1.233 1.00 0.00 N ATOM 1715 CA TYR A 105 116.013 4.178 -1.746 1.00 0.00 C ATOM 1716 C TYR A 105 117.503 4.457 -1.529 1.00 0.00 C ATOM 1717 O TYR A 105 118.237 3.619 -1.045 1.00 0.00 O ATOM 1718 CB TYR A 105 115.740 3.991 -3.240 1.00 0.00 C ATOM 1719 CG TYR A 105 116.651 2.917 -3.787 1.00 0.00 C ATOM 1720 CD1 TYR A 105 117.965 3.235 -4.149 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.184 1.604 -3.933 1.00 0.00 C ATOM 1722 CE1 TYR A 105 118.811 2.245 -4.654 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.032 0.614 -4.438 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.346 0.933 -4.799 1.00 0.00 C ATOM 1725 OH TYR A 105 119.180 -0.045 -5.301 1.00 0.00 O ATOM 0 H TYR A 105 114.732 5.875 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 105 115.733 3.271 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.698 3.714 -3.398 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.905 4.928 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.325 4.247 -4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.170 1.357 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 105 119.825 2.492 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 105 116.673 -0.398 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 105 118.828 -0.928 -5.063 1.00 0.00 H new ATOM 1735 N SER A 106 117.958 5.626 -1.886 1.00 0.00 N ATOM 1736 CA SER A 106 119.400 5.955 -1.702 1.00 0.00 C ATOM 1737 C SER A 106 119.828 5.615 -0.273 1.00 0.00 C ATOM 1738 O SER A 106 120.693 4.791 -0.052 1.00 0.00 O ATOM 1739 CB SER A 106 119.620 7.447 -1.956 1.00 0.00 C ATOM 1740 OG SER A 106 120.062 7.636 -3.294 1.00 0.00 O ATOM 0 H SER A 106 117.393 6.369 -2.298 1.00 0.00 H new ATOM 0 HA SER A 106 119.994 5.373 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.694 7.997 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.358 7.841 -1.258 1.00 0.00 H new ATOM 0 HG SER A 106 119.348 8.054 -3.818 1.00 0.00 H new ATOM 1746 N ALA A 107 119.230 6.245 0.701 1.00 0.00 N ATOM 1747 CA ALA A 107 119.602 5.961 2.115 1.00 0.00 C ATOM 1748 C ALA A 107 119.340 4.486 2.428 1.00 0.00 C ATOM 1749 O ALA A 107 119.926 3.920 3.330 1.00 0.00 O ATOM 1750 CB ALA A 107 118.761 6.837 3.047 1.00 0.00 C ATOM 0 H ALA A 107 118.499 6.945 0.578 1.00 0.00 H new ATOM 0 HA ALA A 107 120.659 6.180 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.032 6.631 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.948 7.888 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.704 6.617 2.898 1.00 0.00 H new ATOM 1756 N LEU A 108 118.463 3.858 1.694 1.00 0.00 N ATOM 1757 CA LEU A 108 118.164 2.422 1.955 1.00 0.00 C ATOM 1758 C LEU A 108 119.334 1.557 1.480 1.00 0.00 C ATOM 1759 O LEU A 108 119.580 0.488 2.003 1.00 0.00 O ATOM 1760 CB LEU A 108 116.896 2.021 1.199 1.00 0.00 C ATOM 1761 CG LEU A 108 115.677 2.211 2.103 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.425 1.710 1.381 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.873 1.414 3.395 1.00 0.00 C ATOM 0 H LEU A 108 117.941 4.277 0.925 1.00 0.00 H new ATOM 0 HA LEU A 108 118.015 2.273 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.791 2.626 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.965 0.981 0.879 1.00 0.00 H new ATOM 0 HG LEU A 108 115.561 3.268 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.556 1.845 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.286 2.275 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.540 0.652 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.005 1.548 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.988 0.357 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.766 1.769 3.909 1.00 0.00 H new ATOM 1775 N THR A 109 120.057 2.009 0.492 1.00 0.00 N ATOM 1776 CA THR A 109 121.207 1.209 -0.016 1.00 0.00 C ATOM 1777 C THR A 109 122.451 1.514 0.821 1.00 0.00 C ATOM 1778 O THR A 109 123.314 0.676 0.995 1.00 0.00 O ATOM 1779 CB THR A 109 121.477 1.573 -1.478 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.053 2.870 -1.543 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.163 1.557 -2.260 1.00 0.00 C ATOM 0 H THR A 109 119.901 2.897 0.015 1.00 0.00 H new ATOM 0 HA THR A 109 120.970 0.148 0.057 1.00 0.00 H new ATOM 0 HB THR A 109 122.165 0.848 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.524 3.490 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.356 1.816 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.722 0.562 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.473 2.282 -1.827 1.00 0.00 H new ATOM 1789 N ARG A 110 122.550 2.705 1.344 1.00 0.00 N ATOM 1790 CA ARG A 110 123.738 3.059 2.168 1.00 0.00 C ATOM 1791 C ARG A 110 123.487 2.652 3.622 1.00 0.00 C ATOM 1792 O ARG A 110 122.419 2.868 4.159 1.00 0.00 O ATOM 1793 CB ARG A 110 123.980 4.568 2.097 1.00 0.00 C ATOM 1794 CG ARG A 110 125.074 4.862 1.069 1.00 0.00 C ATOM 1795 CD ARG A 110 124.919 6.295 0.552 1.00 0.00 C ATOM 1796 NE ARG A 110 125.099 7.252 1.680 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.003 8.191 1.602 1.00 0.00 C ATOM 1798 NH1 ARG A 110 126.099 8.916 0.521 1.00 0.00 N ATOM 1799 NH2 ARG A 110 126.810 8.405 2.605 1.00 0.00 N ATOM 0 H ARG A 110 121.859 3.448 1.236 1.00 0.00 H new ATOM 0 HA ARG A 110 124.614 2.533 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.059 5.082 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.275 4.946 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 110 126.057 4.732 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.008 4.156 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.654 6.493 -0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 110 123.935 6.427 0.103 1.00 0.00 H new ATOM 0 HE ARG A 110 124.516 7.174 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 110 125.468 8.749 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.805 9.650 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.735 7.839 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 110 127.516 9.139 2.544 1.00 0.00 H new ATOM 1813 N ASP A 111 124.461 2.065 4.260 1.00 0.00 N ATOM 1814 CA ASP A 111 124.277 1.645 5.677 1.00 0.00 C ATOM 1815 C ASP A 111 123.569 2.760 6.453 1.00 0.00 C ATOM 1816 O ASP A 111 123.598 3.907 6.051 1.00 0.00 O ATOM 1817 CB ASP A 111 125.643 1.374 6.309 1.00 0.00 C ATOM 1818 CG ASP A 111 126.189 0.039 5.799 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.623 -0.983 6.150 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.164 0.062 5.065 1.00 0.00 O ATOM 0 H ASP A 111 125.377 1.858 3.861 1.00 0.00 H new ATOM 0 HA ASP A 111 123.673 0.738 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.335 2.179 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.554 1.351 7.395 1.00 0.00 H new ATOM 1825 N PRO A 112 122.954 2.386 7.545 1.00 0.00 N ATOM 1826 CA PRO A 112 122.926 0.990 8.022 1.00 0.00 C ATOM 1827 C PRO A 112 121.875 0.173 7.258 1.00 0.00 C ATOM 1828 O PRO A 112 121.525 -0.921 7.650 1.00 0.00 O ATOM 1829 CB PRO A 112 122.535 1.126 9.496 1.00 0.00 C ATOM 1830 CG PRO A 112 121.815 2.490 9.632 1.00 0.00 C ATOM 1831 CD PRO A 112 122.232 3.335 8.414 1.00 0.00 C ATOM 0 HA PRO A 112 123.874 0.473 7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.881 0.309 9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.416 1.086 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.734 2.356 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.097 2.985 10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.365 3.758 7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.869 4.170 8.708 1.00 0.00 H new ATOM 1839 N PHE A 113 121.366 0.695 6.174 1.00 0.00 N ATOM 1840 CA PHE A 113 120.339 -0.059 5.400 1.00 0.00 C ATOM 1841 C PHE A 113 121.028 -0.975 4.388 1.00 0.00 C ATOM 1842 O PHE A 113 121.706 -0.524 3.487 1.00 0.00 O ATOM 1843 CB PHE A 113 119.430 0.930 4.667 1.00 0.00 C ATOM 1844 CG PHE A 113 118.552 1.635 5.671 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.588 0.914 6.382 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.707 3.008 5.897 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.778 1.564 7.318 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.897 3.658 6.833 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.932 2.935 7.546 1.00 0.00 C ATOM 0 H PHE A 113 121.616 1.607 5.793 1.00 0.00 H new ATOM 0 HA PHE A 113 119.741 -0.665 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.030 1.656 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.816 0.405 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.469 -0.145 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.452 3.565 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.032 1.007 7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.015 4.717 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.308 3.436 8.271 1.00 0.00 H new ATOM 1859 N SER A 114 120.860 -2.262 4.533 1.00 0.00 N ATOM 1860 CA SER A 114 121.506 -3.213 3.582 1.00 0.00 C ATOM 1861 C SER A 114 120.561 -3.491 2.413 1.00 0.00 C ATOM 1862 O SER A 114 119.438 -3.028 2.384 1.00 0.00 O ATOM 1863 CB SER A 114 121.819 -4.522 4.307 1.00 0.00 C ATOM 1864 OG SER A 114 121.888 -4.279 5.706 1.00 0.00 O ATOM 0 H SER A 114 120.303 -2.696 5.269 1.00 0.00 H new ATOM 0 HA SER A 114 122.430 -2.776 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.049 -5.263 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.764 -4.932 3.950 1.00 0.00 H new ATOM 0 HG SER A 114 122.087 -5.117 6.174 1.00 0.00 H new ATOM 1870 N VAL A 115 121.007 -4.246 1.446 1.00 0.00 N ATOM 1871 CA VAL A 115 120.136 -4.554 0.277 1.00 0.00 C ATOM 1872 C VAL A 115 119.930 -6.067 0.179 1.00 0.00 C ATOM 1873 O VAL A 115 120.766 -6.844 0.597 1.00 0.00 O ATOM 1874 CB VAL A 115 120.800 -4.048 -1.002 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.897 -4.351 -2.198 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.020 -2.537 -0.901 1.00 0.00 C ATOM 0 H VAL A 115 121.937 -4.663 1.415 1.00 0.00 H new ATOM 0 HA VAL A 115 119.171 -4.063 0.404 1.00 0.00 H new ATOM 0 HB VAL A 115 121.760 -4.547 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.370 -3.990 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.739 -5.427 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.937 -3.852 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.494 -2.176 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.060 -2.038 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.663 -2.319 -0.048 1.00 0.00 H new ATOM 1886 N ILE A 116 118.825 -6.493 -0.370 1.00 0.00 N ATOM 1887 CA ILE A 116 118.574 -7.957 -0.493 1.00 0.00 C ATOM 1888 C ILE A 116 118.473 -8.342 -1.969 1.00 0.00 C ATOM 1889 O ILE A 116 119.331 -9.016 -2.504 1.00 0.00 O ATOM 1890 CB ILE A 116 117.264 -8.313 0.208 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.172 -7.556 1.531 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.224 -9.817 0.482 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.745 -7.654 2.070 1.00 0.00 C ATOM 0 H ILE A 116 118.087 -5.892 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 116 119.398 -8.500 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 116 116.425 -8.036 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.875 -7.974 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.447 -6.511 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.289 -10.071 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.291 -10.360 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.064 -10.093 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.675 -7.115 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.053 -7.216 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.488 -8.701 2.230 1.00 0.00 H new ATOM 1905 N GLU A 117 117.429 -7.925 -2.632 1.00 0.00 N ATOM 1906 CA GLU A 117 117.283 -8.282 -4.074 1.00 0.00 C ATOM 1907 C GLU A 117 116.388 -7.258 -4.777 1.00 0.00 C ATOM 1908 O GLU A 117 115.344 -6.888 -4.283 1.00 0.00 O ATOM 1909 CB GLU A 117 116.655 -9.671 -4.191 1.00 0.00 C ATOM 1910 CG GLU A 117 116.743 -10.149 -5.642 1.00 0.00 C ATOM 1911 CD GLU A 117 117.126 -11.630 -5.671 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.283 -12.445 -5.336 1.00 0.00 O ATOM 1913 OE2 GLU A 117 118.255 -11.923 -6.031 1.00 0.00 O ATOM 0 H GLU A 117 116.676 -7.357 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 117 118.266 -8.281 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 117 117.170 -10.372 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.614 -9.640 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.787 -10.000 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.483 -9.561 -6.185 1.00 0.00 H new ATOM 1920 N GLU A 118 116.792 -6.805 -5.932 1.00 0.00 N ATOM 1921 CA GLU A 118 115.968 -5.809 -6.674 1.00 0.00 C ATOM 1922 C GLU A 118 115.962 -6.163 -8.162 1.00 0.00 C ATOM 1923 O GLU A 118 116.944 -6.635 -8.701 1.00 0.00 O ATOM 1924 CB GLU A 118 116.566 -4.412 -6.488 1.00 0.00 C ATOM 1925 CG GLU A 118 118.018 -4.408 -6.970 1.00 0.00 C ATOM 1926 CD GLU A 118 118.954 -4.244 -5.772 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.824 -3.250 -5.075 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.787 -5.112 -5.572 1.00 0.00 O ATOM 0 H GLU A 118 117.658 -7.082 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 118 114.948 -5.823 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.984 -3.679 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.520 -4.122 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.241 -5.337 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.174 -3.596 -7.680 1.00 0.00 H new ATOM 1935 N SER A 119 114.868 -5.932 -8.834 1.00 0.00 N ATOM 1936 CA SER A 119 114.807 -6.247 -10.289 1.00 0.00 C ATOM 1937 C SER A 119 115.386 -5.070 -11.078 1.00 0.00 C ATOM 1938 O SER A 119 115.528 -5.123 -12.283 1.00 0.00 O ATOM 1939 CB SER A 119 113.353 -6.473 -10.703 1.00 0.00 C ATOM 1940 OG SER A 119 113.319 -7.040 -12.006 1.00 0.00 O ATOM 0 H SER A 119 114.014 -5.539 -8.439 1.00 0.00 H new ATOM 0 HA SER A 119 115.383 -7.149 -10.495 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.859 -7.136 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.808 -5.529 -10.690 1.00 0.00 H new ATOM 0 HG SER A 119 113.911 -6.532 -12.599 1.00 0.00 H new ATOM 1946 N LEU A 120 115.720 -4.006 -10.400 1.00 0.00 N ATOM 1947 CA LEU A 120 116.287 -2.820 -11.092 1.00 0.00 C ATOM 1948 C LEU A 120 117.558 -2.381 -10.341 1.00 0.00 C ATOM 1949 O LEU A 120 117.495 -2.036 -9.178 1.00 0.00 O ATOM 1950 CB LEU A 120 115.216 -1.706 -11.102 1.00 0.00 C ATOM 1951 CG LEU A 120 115.772 -0.372 -10.591 1.00 0.00 C ATOM 1952 CD1 LEU A 120 116.922 0.088 -11.489 1.00 0.00 C ATOM 1953 CD2 LEU A 120 114.662 0.681 -10.615 1.00 0.00 C ATOM 0 H LEU A 120 115.623 -3.909 -9.389 1.00 0.00 H new ATOM 0 HA LEU A 120 116.559 -3.046 -12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 120 114.837 -1.576 -12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 120 114.372 -2.009 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 120 116.138 -0.501 -9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 120 117.314 1.037 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 120 117.714 -0.660 -11.478 1.00 0.00 H new ATOM 0 HD13 LEU A 120 116.559 0.216 -12.509 1.00 0.00 H new ATOM 0 HD21 LEU A 120 115.054 1.631 -10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 120 114.299 0.804 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 120 113.841 0.359 -9.974 1.00 0.00 H new ATOM 1965 N PRO A 121 118.678 -2.420 -11.022 1.00 0.00 N ATOM 1966 CA PRO A 121 119.974 -2.039 -10.434 1.00 0.00 C ATOM 1967 C PRO A 121 120.103 -0.515 -10.356 1.00 0.00 C ATOM 1968 O PRO A 121 119.778 0.194 -11.287 1.00 0.00 O ATOM 1969 CB PRO A 121 120.998 -2.626 -11.408 1.00 0.00 C ATOM 1970 CG PRO A 121 120.265 -2.805 -12.757 1.00 0.00 C ATOM 1971 CD PRO A 121 118.758 -2.840 -12.437 1.00 0.00 C ATOM 0 HA PRO A 121 120.105 -2.404 -9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.855 -1.962 -11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.378 -3.580 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.498 -1.985 -13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 121 120.578 -3.726 -13.249 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.198 -2.166 -13.085 1.00 0.00 H new ATOM 0 HD3 PRO A 121 118.343 -3.838 -12.580 1.00 0.00 H new ATOM 1979 N GLY A 122 120.575 -0.009 -9.250 1.00 0.00 N ATOM 1980 CA GLY A 122 120.725 1.467 -9.110 1.00 0.00 C ATOM 1981 C GLY A 122 119.590 2.013 -8.242 1.00 0.00 C ATOM 1982 O GLY A 122 119.781 2.911 -7.446 1.00 0.00 O ATOM 0 H GLY A 122 120.863 -0.554 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.689 1.705 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 122 120.707 1.940 -10.092 1.00 0.00 H new ATOM 1986 N GLY A 123 118.410 1.475 -8.386 1.00 0.00 N ATOM 1987 CA GLY A 123 117.265 1.963 -7.567 1.00 0.00 C ATOM 1988 C GLY A 123 116.449 2.970 -8.377 1.00 0.00 C ATOM 1989 O GLY A 123 115.718 2.609 -9.279 1.00 0.00 O ATOM 0 H GLY A 123 118.190 0.719 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.635 1.125 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 123 117.631 2.428 -6.652 1.00 0.00 H new ATOM 1993 N LEU A 124 116.560 4.229 -8.059 1.00 0.00 N ATOM 1994 CA LEU A 124 115.783 5.258 -8.806 1.00 0.00 C ATOM 1995 C LEU A 124 116.738 6.187 -9.560 1.00 0.00 C ATOM 1996 O LEU A 124 117.801 6.525 -9.080 1.00 0.00 O ATOM 1997 CB LEU A 124 114.948 6.070 -7.817 1.00 0.00 C ATOM 1998 CG LEU A 124 114.471 5.155 -6.688 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.419 5.878 -5.850 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.858 3.886 -7.283 1.00 0.00 C ATOM 0 H LEU A 124 117.155 4.591 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 124 115.127 4.767 -9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.540 6.890 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.093 6.516 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 124 115.320 4.891 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.081 5.224 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 124 113.852 6.783 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 124 112.571 6.145 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.518 3.234 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.011 4.153 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.607 3.365 -7.880 1.00 0.00 H new ATOM 2012 N LYS A 125 116.363 6.602 -10.740 1.00 0.00 N ATOM 2013 CA LYS A 125 117.243 7.509 -11.530 1.00 0.00 C ATOM 2014 C LYS A 125 116.598 8.893 -11.616 1.00 0.00 C ATOM 2015 O LYS A 125 115.609 9.169 -10.965 1.00 0.00 O ATOM 2016 CB LYS A 125 117.422 6.943 -12.941 1.00 0.00 C ATOM 2017 CG LYS A 125 118.854 6.431 -13.111 1.00 0.00 C ATOM 2018 CD LYS A 125 118.889 4.925 -12.852 1.00 0.00 C ATOM 2019 CE LYS A 125 118.178 4.618 -11.533 1.00 0.00 C ATOM 2020 NZ LYS A 125 118.471 3.215 -11.126 1.00 0.00 N ATOM 0 H LYS A 125 115.483 6.351 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 125 118.215 7.589 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 125 116.713 6.133 -13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 125 117.210 7.713 -13.682 1.00 0.00 H new ATOM 0 HG2 LYS A 125 119.212 6.646 -14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 125 119.521 6.946 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 125 118.405 4.393 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 125 119.921 4.576 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 125 118.510 5.310 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 125 117.103 4.758 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 117.668 2.836 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 118.623 2.632 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 119.326 3.196 -10.535 1.00 0.00 H new ATOM 2034 N GLU A 126 117.147 9.766 -12.414 1.00 0.00 N ATOM 2035 CA GLU A 126 116.562 11.130 -12.541 1.00 0.00 C ATOM 2036 C GLU A 126 115.526 11.139 -13.667 1.00 0.00 C ATOM 2037 O GLU A 126 114.676 12.004 -13.735 1.00 0.00 O ATOM 2038 CB GLU A 126 117.670 12.135 -12.858 1.00 0.00 C ATOM 2039 CG GLU A 126 118.407 11.703 -14.128 1.00 0.00 C ATOM 2040 CD GLU A 126 118.628 12.919 -15.029 1.00 0.00 C ATOM 2041 OE1 GLU A 126 117.680 13.659 -15.234 1.00 0.00 O ATOM 2042 OE2 GLU A 126 119.740 13.091 -15.499 1.00 0.00 O ATOM 0 H GLU A 126 117.975 9.594 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 126 116.081 11.406 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 126 117.245 13.130 -12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.368 12.197 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 126 119.364 11.250 -13.869 1.00 0.00 H new ATOM 0 HG3 GLU A 126 117.829 10.946 -14.657 1.00 0.00 H new ATOM 2049 N HIS A 127 115.589 10.182 -14.554 1.00 0.00 N ATOM 2050 CA HIS A 127 114.607 10.139 -15.674 1.00 0.00 C ATOM 2051 C HIS A 127 113.271 9.597 -15.160 1.00 0.00 C ATOM 2052 O HIS A 127 112.222 10.148 -15.429 1.00 0.00 O ATOM 2053 CB HIS A 127 115.136 9.226 -16.784 1.00 0.00 C ATOM 2054 CG HIS A 127 115.133 7.800 -16.306 1.00 0.00 C ATOM 2055 ND1 HIS A 127 116.249 7.209 -15.734 1.00 0.00 N ATOM 2056 CD2 HIS A 127 114.158 6.834 -16.309 1.00 0.00 C ATOM 2057 CE1 HIS A 127 115.921 5.943 -15.418 1.00 0.00 C ATOM 2058 NE2 HIS A 127 114.657 5.661 -15.748 1.00 0.00 N ATOM 0 H HIS A 127 116.277 9.429 -14.551 1.00 0.00 H new ATOM 0 HA HIS A 127 114.463 11.144 -16.070 1.00 0.00 H new ATOM 0 HB2 HIS A 127 114.516 9.323 -17.675 1.00 0.00 H new ATOM 0 HB3 HIS A 127 116.146 9.524 -17.064 1.00 0.00 H new ATOM 0 HD2 HIS A 127 113.155 6.964 -16.689 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.597 5.240 -14.954 1.00 0.00 H new ATOM 0 HE2 HIS A 127 114.164 4.778 -15.617 1.00 0.00 H new ATOM 2066 N ASP A 128 113.300 8.524 -14.418 1.00 0.00 N ATOM 2067 CA ASP A 128 112.032 7.954 -13.885 1.00 0.00 C ATOM 2068 C ASP A 128 111.613 8.736 -12.639 1.00 0.00 C ATOM 2069 O ASP A 128 110.452 8.787 -12.286 1.00 0.00 O ATOM 2070 CB ASP A 128 112.250 6.485 -13.519 1.00 0.00 C ATOM 2071 CG ASP A 128 111.478 5.596 -14.495 1.00 0.00 C ATOM 2072 OD1 ASP A 128 111.182 6.063 -15.583 1.00 0.00 O ATOM 2073 OD2 ASP A 128 111.195 4.465 -14.139 1.00 0.00 O ATOM 0 H ASP A 128 114.147 8.018 -14.158 1.00 0.00 H new ATOM 0 HA ASP A 128 111.250 8.026 -14.641 1.00 0.00 H new ATOM 0 HB2 ASP A 128 113.313 6.244 -13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 128 111.915 6.300 -12.499 1.00 0.00 H new ATOM 2078 N PHE A 129 112.554 9.347 -11.972 1.00 0.00 N ATOM 2079 CA PHE A 129 112.216 10.128 -10.750 1.00 0.00 C ATOM 2080 C PHE A 129 112.643 11.585 -10.948 1.00 0.00 C ATOM 2081 O PHE A 129 113.053 11.980 -12.021 1.00 0.00 O ATOM 2082 CB PHE A 129 112.953 9.534 -9.548 1.00 0.00 C ATOM 2083 CG PHE A 129 112.753 8.037 -9.530 1.00 0.00 C ATOM 2084 CD1 PHE A 129 113.447 7.226 -10.437 1.00 0.00 C ATOM 2085 CD2 PHE A 129 111.874 7.458 -8.606 1.00 0.00 C ATOM 2086 CE1 PHE A 129 113.260 5.840 -10.420 1.00 0.00 C ATOM 2087 CE2 PHE A 129 111.687 6.073 -8.590 1.00 0.00 C ATOM 2088 CZ PHE A 129 112.381 5.263 -9.496 1.00 0.00 C ATOM 0 H PHE A 129 113.543 9.339 -12.221 1.00 0.00 H new ATOM 0 HA PHE A 129 111.142 10.086 -10.571 1.00 0.00 H new ATOM 0 HB2 PHE A 129 114.016 9.770 -9.606 1.00 0.00 H new ATOM 0 HB3 PHE A 129 112.578 9.974 -8.624 1.00 0.00 H new ATOM 0 HD1 PHE A 129 114.126 7.671 -11.149 1.00 0.00 H new ATOM 0 HD2 PHE A 129 111.340 8.082 -7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 129 113.794 5.215 -11.120 1.00 0.00 H new ATOM 0 HE2 PHE A 129 111.007 5.628 -7.879 1.00 0.00 H new ATOM 0 HZ PHE A 129 112.238 4.193 -9.482 1.00 0.00 H new ATOM 2098 N ASN A 130 112.550 12.387 -9.923 1.00 0.00 N ATOM 2099 CA ASN A 130 112.951 13.816 -10.063 1.00 0.00 C ATOM 2100 C ASN A 130 113.713 14.265 -8.812 1.00 0.00 C ATOM 2101 O ASN A 130 113.248 15.115 -8.079 1.00 0.00 O ATOM 2102 CB ASN A 130 111.702 14.683 -10.232 1.00 0.00 C ATOM 2103 CG ASN A 130 112.107 16.157 -10.269 1.00 0.00 C ATOM 2104 OD1 ASN A 130 113.321 16.478 -10.623 1.00 0.00 O flip ATOM 2105 ND2 ASN A 130 111.311 17.026 -9.972 1.00 0.00 N flip ATOM 0 H ASN A 130 112.215 12.116 -8.998 1.00 0.00 H new ATOM 0 HA ASN A 130 113.593 13.924 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 130 111.181 14.415 -11.151 1.00 0.00 H new ATOM 0 HB3 ASN A 130 111.009 14.506 -9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 130 110.362 16.775 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 130 111.592 18.006 -10.000 1.00 0.00 H new ATOM 2112 N PRO A 131 114.866 13.679 -8.611 1.00 0.00 N ATOM 2113 CA PRO A 131 115.729 13.997 -7.460 1.00 0.00 C ATOM 2114 C PRO A 131 116.502 15.294 -7.718 1.00 0.00 C ATOM 2115 O PRO A 131 117.707 15.288 -7.876 1.00 0.00 O ATOM 2116 CB PRO A 131 116.683 12.802 -7.388 1.00 0.00 C ATOM 2117 CG PRO A 131 116.696 12.169 -8.801 1.00 0.00 C ATOM 2118 CD PRO A 131 115.414 12.644 -9.511 1.00 0.00 C ATOM 0 HA PRO A 131 115.173 14.150 -6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 131 117.684 13.121 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 131 116.347 12.081 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 131 117.582 12.478 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 131 116.723 11.081 -8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 131 115.632 13.050 -10.499 1.00 0.00 H new ATOM 0 HD3 PRO A 131 114.709 11.824 -9.652 1.00 0.00 H new ATOM 2126 N GLU A 132 115.820 16.406 -7.766 1.00 0.00 N ATOM 2127 CA GLU A 132 116.518 17.697 -8.018 1.00 0.00 C ATOM 2128 C GLU A 132 115.870 18.802 -7.181 1.00 0.00 C ATOM 2129 O GLU A 132 114.672 18.821 -6.980 1.00 0.00 O ATOM 2130 CB GLU A 132 116.411 18.054 -9.502 1.00 0.00 C ATOM 2131 CG GLU A 132 117.559 17.396 -10.271 1.00 0.00 C ATOM 2132 CD GLU A 132 117.081 17.012 -11.672 1.00 0.00 C ATOM 2133 OE1 GLU A 132 115.964 16.534 -11.787 1.00 0.00 O ATOM 2134 OE2 GLU A 132 117.841 17.201 -12.609 1.00 0.00 O ATOM 0 H GLU A 132 114.810 16.475 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 132 117.568 17.600 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 132 115.453 17.718 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 132 116.447 19.136 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 132 118.405 18.080 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 132 117.907 16.511 -9.739 1.00 0.00 H new ATOM 2141 N SER A 133 116.653 19.724 -6.691 1.00 0.00 N ATOM 2142 CA SER A 133 116.081 20.826 -5.867 1.00 0.00 C ATOM 2143 C SER A 133 116.058 22.116 -6.689 1.00 0.00 C ATOM 2144 O SER A 133 116.316 23.190 -6.183 1.00 0.00 O ATOM 2145 CB SER A 133 116.943 21.031 -4.621 1.00 0.00 C ATOM 2146 OG SER A 133 118.174 20.340 -4.784 1.00 0.00 O ATOM 0 H SER A 133 117.663 19.762 -6.826 1.00 0.00 H new ATOM 0 HA SER A 133 115.066 20.567 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 133 117.127 22.094 -4.463 1.00 0.00 H new ATOM 0 HB3 SER A 133 116.420 20.663 -3.738 1.00 0.00 H new ATOM 0 HG SER A 133 118.730 20.470 -3.988 1.00 0.00 H new ATOM 2152 N SER A 134 115.750 22.021 -7.954 1.00 0.00 N ATOM 2153 CA SER A 134 115.711 23.242 -8.806 1.00 0.00 C ATOM 2154 C SER A 134 114.603 23.099 -9.851 1.00 0.00 C ATOM 2155 O SER A 134 114.135 24.118 -10.333 1.00 0.00 O ATOM 2156 CB SER A 134 117.057 23.415 -9.510 1.00 0.00 C ATOM 2157 OG SER A 134 116.983 24.525 -10.395 1.00 0.00 O ATOM 2158 OXT SER A 134 114.241 21.974 -10.152 1.00 0.00 O ATOM 0 H SER A 134 115.524 21.150 -8.434 1.00 0.00 H new ATOM 0 HA SER A 134 115.512 24.114 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 134 117.847 23.572 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 134 117.311 22.510 -10.063 1.00 0.00 H new ATOM 0 HG SER A 134 117.845 24.641 -10.848 1.00 0.00 H new TER 2164 SER A 134