USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 970 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 71 THR OG1 : rot 146:sc= -2.52! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -11.8! C(o=-38!,f=-41!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -23.5! C(o=-38!,f=-46!) USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= -5.36! C(o=-17!,f=-11!) USER MOD Set 2.2: A 65 ASN : amide:sc= -5.79! C(o=-11!,f=-19!) USER MOD Set 3.1: A 57 SER OG : rot -20:sc= -0.236! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -12.4! C(o=-13!,f=-14!) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -150:sc= -0.846 (180deg=-2.68!) USER MOD Set 4.2: A 83 TYR OH : rot -41:sc= -5.04! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 25 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 32:sc= 0.311 USER MOD Single : A 30 CYS SG : rot -120:sc= -4.74 USER MOD Single : A 34 TYR OH : rot 130:sc= -2.1! USER MOD Single : A 35 THR OG1 : rot -153:sc= -3.13! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -102:sc= -0.391 (180deg=-5.98!) USER MOD Single : A 44 TYR OH : rot 132:sc= -1.91! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.0315 (180deg=-0.62) USER MOD Single : A 48 MET CE :methyl 138:sc= -28.8! (180deg=-32.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 61 SER OG : rot 180:sc= 0.11 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.5!) USER MOD Single : A 64 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-11!) USER MOD Single : A 78 SER OG : rot 180:sc= 0.12 USER MOD Single : A 81 ASN : amide:sc= -2.54! C(o=-2.5!,f=-2.5!) USER MOD Single : A 82 ASN : amide:sc= -0.0596 X(o=-0.06,f=-0.23) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -56:sc= -0.187 USER MOD Single : A 89 THR OG1 : rot -58:sc= 0.792 USER MOD Single : A 91 SER OG : rot 71:sc= 0.87 USER MOD Single : A 95 CYS SG : rot 180:sc= -4.11! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.425 K(o=-0.43,f=-3.9!) USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.209) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -151:sc= -2.45 (180deg=-5.41!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -54:sc= 0.884 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 10:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 109.366 -6.495 17.595 1.00 0.00 N ATOM 75 CA ASP A 6 108.466 -6.142 16.462 1.00 0.00 C ATOM 76 C ASP A 6 108.599 -4.646 16.156 1.00 0.00 C ATOM 77 O ASP A 6 108.778 -3.847 17.054 1.00 0.00 O ATOM 78 CB ASP A 6 107.018 -6.460 16.844 1.00 0.00 C ATOM 79 CG ASP A 6 106.251 -6.914 15.601 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.786 -7.726 14.863 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.143 -6.442 15.407 1.00 0.00 O ATOM 0 HA ASP A 6 108.743 -6.720 15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.994 -7.241 17.604 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.543 -5.579 17.276 1.00 0.00 H new ATOM 86 N PRO A 7 108.516 -4.313 14.893 1.00 0.00 N ATOM 87 CA PRO A 7 108.628 -2.919 14.430 1.00 0.00 C ATOM 88 C PRO A 7 107.313 -2.169 14.648 1.00 0.00 C ATOM 89 O PRO A 7 106.252 -2.642 14.292 1.00 0.00 O ATOM 90 CB PRO A 7 108.924 -3.062 12.936 1.00 0.00 C ATOM 91 CG PRO A 7 108.402 -4.458 12.519 1.00 0.00 C ATOM 92 CD PRO A 7 108.300 -5.293 13.808 1.00 0.00 C ATOM 0 HA PRO A 7 109.392 -2.354 14.965 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.430 -2.276 12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 7 109.993 -2.973 12.742 1.00 0.00 H new ATOM 0 HG2 PRO A 7 107.431 -4.378 12.031 1.00 0.00 H new ATOM 0 HG3 PRO A 7 109.079 -4.928 11.806 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.326 -5.775 13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.050 -6.084 13.831 1.00 0.00 H new ATOM 100 N LYS A 8 107.376 -1.000 15.222 1.00 0.00 N ATOM 101 CA LYS A 8 106.129 -0.221 15.450 1.00 0.00 C ATOM 102 C LYS A 8 105.952 0.792 14.316 1.00 0.00 C ATOM 103 O LYS A 8 104.972 1.507 14.258 1.00 0.00 O ATOM 104 CB LYS A 8 106.221 0.515 16.789 1.00 0.00 C ATOM 105 CG LYS A 8 107.361 1.534 16.738 1.00 0.00 C ATOM 106 CD LYS A 8 108.490 1.084 17.665 1.00 0.00 C ATOM 107 CE LYS A 8 109.011 2.285 18.457 1.00 0.00 C ATOM 108 NZ LYS A 8 108.154 2.496 19.659 1.00 0.00 N ATOM 0 H LYS A 8 108.235 -0.552 15.542 1.00 0.00 H new ATOM 0 HA LYS A 8 105.274 -0.897 15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.279 1.019 17.004 1.00 0.00 H new ATOM 0 HB3 LYS A 8 106.393 -0.197 17.596 1.00 0.00 H new ATOM 0 HG2 LYS A 8 107.731 1.631 15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.998 2.517 17.040 1.00 0.00 H new ATOM 0 HD2 LYS A 8 108.129 0.314 18.347 1.00 0.00 H new ATOM 0 HD3 LYS A 8 109.298 0.641 17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 8 110.044 2.115 18.759 1.00 0.00 H new ATOM 0 HE3 LYS A 8 109.005 3.177 17.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 108.507 3.312 20.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 107.174 2.676 19.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 108.182 1.647 20.259 1.00 0.00 H new ATOM 122 N ASP A 9 106.892 0.854 13.409 1.00 0.00 N ATOM 123 CA ASP A 9 106.770 1.818 12.278 1.00 0.00 C ATOM 124 C ASP A 9 108.109 1.930 11.547 1.00 0.00 C ATOM 125 O ASP A 9 109.057 1.234 11.856 1.00 0.00 O ATOM 126 CB ASP A 9 106.364 3.192 12.817 1.00 0.00 C ATOM 127 CG ASP A 9 107.064 3.443 14.153 1.00 0.00 C ATOM 128 OD1 ASP A 9 108.280 3.365 14.188 1.00 0.00 O ATOM 129 OD2 ASP A 9 106.370 3.712 15.121 1.00 0.00 O ATOM 0 H ASP A 9 107.736 0.281 13.403 1.00 0.00 H new ATOM 0 HA ASP A 9 106.010 1.462 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.633 3.969 12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.283 3.239 12.946 1.00 0.00 H new ATOM 134 N PHE A 10 108.193 2.800 10.577 1.00 0.00 N ATOM 135 CA PHE A 10 109.468 2.958 9.824 1.00 0.00 C ATOM 136 C PHE A 10 110.561 3.465 10.769 1.00 0.00 C ATOM 137 O PHE A 10 110.270 3.967 11.837 1.00 0.00 O ATOM 138 CB PHE A 10 109.270 3.967 8.691 1.00 0.00 C ATOM 139 CG PHE A 10 108.633 3.280 7.507 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.325 2.795 7.602 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.352 3.130 6.314 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.733 2.159 6.504 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.760 2.494 5.216 1.00 0.00 C ATOM 144 CZ PHE A 10 107.451 2.009 5.312 1.00 0.00 C ATOM 0 H PHE A 10 107.432 3.408 10.274 1.00 0.00 H new ATOM 0 HA PHE A 10 109.764 1.995 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.640 4.790 9.029 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.229 4.397 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.771 2.911 8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.362 3.505 6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.723 1.784 6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.313 2.378 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 10 106.994 1.518 4.465 1.00 0.00 H new ATOM 154 N PRO A 11 111.788 3.319 10.342 1.00 0.00 N ATOM 155 CA PRO A 11 112.957 3.755 11.125 1.00 0.00 C ATOM 156 C PRO A 11 113.135 5.271 11.008 1.00 0.00 C ATOM 157 O PRO A 11 112.721 5.880 10.042 1.00 0.00 O ATOM 158 CB PRO A 11 114.125 3.017 10.468 1.00 0.00 C ATOM 159 CG PRO A 11 113.665 2.662 9.033 1.00 0.00 C ATOM 160 CD PRO A 11 112.126 2.706 9.041 1.00 0.00 C ATOM 0 HA PRO A 11 112.869 3.538 12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.017 3.643 10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.380 2.117 11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.069 3.371 8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.023 1.674 8.745 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.740 3.297 8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.698 1.708 8.948 1.00 0.00 H new ATOM 168 N SER A 12 113.747 5.884 11.982 1.00 0.00 N ATOM 169 CA SER A 12 113.948 7.358 11.921 1.00 0.00 C ATOM 170 C SER A 12 114.922 7.693 10.790 1.00 0.00 C ATOM 171 O SER A 12 114.875 8.763 10.215 1.00 0.00 O ATOM 172 CB SER A 12 114.520 7.848 13.252 1.00 0.00 C ATOM 173 OG SER A 12 115.855 7.381 13.391 1.00 0.00 O ATOM 0 H SER A 12 114.116 5.429 12.817 1.00 0.00 H new ATOM 0 HA SER A 12 112.993 7.849 11.734 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.498 8.937 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.908 7.487 14.079 1.00 0.00 H new ATOM 0 HG SER A 12 116.224 7.695 14.243 1.00 0.00 H new ATOM 179 N GLU A 13 115.802 6.787 10.463 1.00 0.00 N ATOM 180 CA GLU A 13 116.774 7.057 9.368 1.00 0.00 C ATOM 181 C GLU A 13 116.030 7.150 8.034 1.00 0.00 C ATOM 182 O GLU A 13 116.592 7.520 7.024 1.00 0.00 O ATOM 183 CB GLU A 13 117.798 5.921 9.302 1.00 0.00 C ATOM 184 CG GLU A 13 119.031 6.390 8.526 1.00 0.00 C ATOM 185 CD GLU A 13 120.231 6.463 9.471 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.863 5.439 9.673 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.497 7.540 9.978 1.00 0.00 O ATOM 0 H GLU A 13 115.889 5.873 10.907 1.00 0.00 H new ATOM 0 HA GLU A 13 117.287 7.999 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.083 5.615 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.359 5.049 8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.241 5.703 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.844 7.368 8.082 1.00 0.00 H new ATOM 194 N LEU A 14 114.767 6.817 8.023 1.00 0.00 N ATOM 195 CA LEU A 14 113.990 6.888 6.753 1.00 0.00 C ATOM 196 C LEU A 14 112.818 7.855 6.922 1.00 0.00 C ATOM 197 O LEU A 14 112.133 8.186 5.975 1.00 0.00 O ATOM 198 CB LEU A 14 113.455 5.498 6.403 1.00 0.00 C ATOM 199 CG LEU A 14 114.624 4.572 6.073 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.096 3.165 5.783 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.363 5.102 4.842 1.00 0.00 C ATOM 0 H LEU A 14 114.241 6.500 8.837 1.00 0.00 H new ATOM 0 HA LEU A 14 114.639 7.241 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 14 112.883 5.096 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.776 5.561 5.553 1.00 0.00 H new ATOM 0 HG LEU A 14 115.308 4.536 6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 14 114.931 2.505 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.569 2.786 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.411 3.201 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.197 4.441 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.678 5.139 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.740 6.104 5.047 1.00 0.00 H new ATOM 213 N LEU A 15 112.582 8.313 8.120 1.00 0.00 N ATOM 214 CA LEU A 15 111.454 9.259 8.346 1.00 0.00 C ATOM 215 C LEU A 15 111.909 10.683 8.015 1.00 0.00 C ATOM 216 O LEU A 15 111.217 11.644 8.285 1.00 0.00 O ATOM 217 CB LEU A 15 111.014 9.188 9.810 1.00 0.00 C ATOM 218 CG LEU A 15 110.510 7.778 10.121 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.700 7.482 11.608 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.024 7.680 9.767 1.00 0.00 C ATOM 0 H LEU A 15 113.121 8.073 8.952 1.00 0.00 H new ATOM 0 HA LEU A 15 110.617 8.988 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.848 9.441 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.227 9.918 10.001 1.00 0.00 H new ATOM 0 HG LEU A 15 111.074 7.053 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.340 6.477 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.758 7.552 11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.137 8.206 12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.663 6.676 9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.461 8.405 10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.888 7.889 8.706 1.00 0.00 H new ATOM 232 N SER A 16 113.067 10.825 7.431 1.00 0.00 N ATOM 233 CA SER A 16 113.566 12.185 7.082 1.00 0.00 C ATOM 234 C SER A 16 112.960 12.621 5.746 1.00 0.00 C ATOM 235 O SER A 16 113.041 13.770 5.362 1.00 0.00 O ATOM 236 CB SER A 16 115.090 12.156 6.966 1.00 0.00 C ATOM 237 OG SER A 16 115.660 12.192 8.268 1.00 0.00 O ATOM 0 H SER A 16 113.690 10.057 7.180 1.00 0.00 H new ATOM 0 HA SER A 16 113.276 12.890 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.409 11.256 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.438 13.007 6.380 1.00 0.00 H new ATOM 0 HG SER A 16 116.637 12.172 8.198 1.00 0.00 H new ATOM 243 N PHE A 17 112.346 11.711 5.037 1.00 0.00 N ATOM 244 CA PHE A 17 111.729 12.076 3.729 1.00 0.00 C ATOM 245 C PHE A 17 110.610 11.088 3.392 1.00 0.00 C ATOM 246 O PHE A 17 110.441 10.691 2.256 1.00 0.00 O ATOM 247 CB PHE A 17 112.788 12.042 2.621 1.00 0.00 C ATOM 248 CG PHE A 17 113.755 10.899 2.843 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.351 9.744 3.528 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.063 10.995 2.352 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.254 8.693 3.720 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.965 9.942 2.544 1.00 0.00 C ATOM 253 CZ PHE A 17 115.560 8.790 3.229 1.00 0.00 C ATOM 0 H PHE A 17 112.245 10.732 5.307 1.00 0.00 H new ATOM 0 HA PHE A 17 111.317 13.083 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.304 11.932 1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.332 12.987 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.343 9.666 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.376 11.883 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.942 7.804 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.973 10.018 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.255 7.977 3.378 1.00 0.00 H new ATOM 263 N LEU A 18 109.846 10.685 4.370 1.00 0.00 N ATOM 264 CA LEU A 18 108.742 9.721 4.102 1.00 0.00 C ATOM 265 C LEU A 18 107.405 10.464 4.094 1.00 0.00 C ATOM 266 O LEU A 18 107.343 11.654 4.329 1.00 0.00 O ATOM 267 CB LEU A 18 108.725 8.651 5.195 1.00 0.00 C ATOM 268 CG LEU A 18 108.565 7.271 4.556 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.766 6.983 3.652 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.488 6.209 5.654 1.00 0.00 C ATOM 0 H LEU A 18 109.938 10.981 5.342 1.00 0.00 H new ATOM 0 HA LEU A 18 108.899 9.249 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.649 8.691 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.906 8.839 5.890 1.00 0.00 H new ATOM 0 HG LEU A 18 107.651 7.249 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.651 5.999 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.823 7.740 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.681 7.004 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.374 5.224 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 18 109.402 6.232 6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.633 6.413 6.298 1.00 0.00 H new ATOM 282 N SER A 19 106.333 9.769 3.827 1.00 0.00 N ATOM 283 CA SER A 19 105.001 10.433 3.805 1.00 0.00 C ATOM 284 C SER A 19 104.110 9.814 4.883 1.00 0.00 C ATOM 285 O SER A 19 103.749 8.656 4.813 1.00 0.00 O ATOM 286 CB SER A 19 104.355 10.237 2.433 1.00 0.00 C ATOM 287 OG SER A 19 102.942 10.222 2.577 1.00 0.00 O ATOM 0 H SER A 19 106.323 8.770 3.623 1.00 0.00 H new ATOM 0 HA SER A 19 105.121 11.499 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.655 11.040 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.697 9.303 1.988 1.00 0.00 H new ATOM 0 HG SER A 19 102.525 10.098 1.699 1.00 0.00 H new ATOM 293 N HIS A 20 103.756 10.574 5.882 1.00 0.00 N ATOM 294 CA HIS A 20 102.892 10.025 6.965 1.00 0.00 C ATOM 295 C HIS A 20 101.429 10.361 6.670 1.00 0.00 C ATOM 296 O HIS A 20 100.957 11.441 6.966 1.00 0.00 O ATOM 297 CB HIS A 20 103.300 10.644 8.303 1.00 0.00 C ATOM 298 CG HIS A 20 104.800 10.683 8.398 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.679 11.719 8.607 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 105.580 9.545 8.273 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 106.983 11.232 8.609 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 106.866 9.917 8.404 1.00 0.00 N flip ATOM 0 H HIS A 20 104.027 11.551 5.995 1.00 0.00 H new ATOM 0 HA HIS A 20 103.012 8.943 7.014 1.00 0.00 H new ATOM 0 HB2 HIS A 20 102.893 11.651 8.390 1.00 0.00 H new ATOM 0 HB3 HIS A 20 102.887 10.061 9.127 1.00 0.00 H new ATOM 0 HD1 HIS A 20 105.416 12.695 8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.221 8.541 8.101 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.894 11.796 8.747 1.00 0.00 H new ATOM 310 N ALA A 21 100.708 9.442 6.089 1.00 0.00 N ATOM 311 CA ALA A 21 99.276 9.705 5.774 1.00 0.00 C ATOM 312 C ALA A 21 98.693 8.507 5.026 1.00 0.00 C ATOM 313 O ALA A 21 99.133 8.162 3.947 1.00 0.00 O ATOM 314 CB ALA A 21 99.164 10.958 4.902 1.00 0.00 C ATOM 0 H ALA A 21 101.049 8.520 5.819 1.00 0.00 H new ATOM 0 HA ALA A 21 98.723 9.860 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.116 11.149 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.580 11.812 5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.717 10.807 3.975 1.00 0.00 H new ATOM 320 N VAL A 22 97.708 7.868 5.593 1.00 0.00 N ATOM 321 CA VAL A 22 97.097 6.692 4.918 1.00 0.00 C ATOM 322 C VAL A 22 95.870 7.139 4.123 1.00 0.00 C ATOM 323 O VAL A 22 95.585 6.626 3.059 1.00 0.00 O ATOM 324 CB VAL A 22 96.678 5.666 5.970 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.152 4.410 5.276 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.886 5.301 6.835 1.00 0.00 C ATOM 0 H VAL A 22 97.300 8.111 6.496 1.00 0.00 H new ATOM 0 HA VAL A 22 97.823 6.243 4.240 1.00 0.00 H new ATOM 0 HB VAL A 22 95.894 6.089 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.853 3.678 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.292 4.669 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 22 96.935 3.986 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.588 4.569 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.669 4.878 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.263 6.196 7.330 1.00 0.00 H new ATOM 336 N PHE A 23 95.143 8.094 4.631 1.00 0.00 N ATOM 337 CA PHE A 23 93.935 8.577 3.905 1.00 0.00 C ATOM 338 C PHE A 23 94.145 10.031 3.478 1.00 0.00 C ATOM 339 O PHE A 23 93.393 10.912 3.845 1.00 0.00 O ATOM 340 CB PHE A 23 92.716 8.486 4.826 1.00 0.00 C ATOM 341 CG PHE A 23 92.620 7.092 5.398 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.311 6.768 6.571 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.837 6.124 4.757 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.223 5.475 7.103 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.748 4.832 5.288 1.00 0.00 C ATOM 346 CZ PHE A 23 92.440 4.507 6.461 1.00 0.00 C ATOM 0 H PHE A 23 95.333 8.561 5.518 1.00 0.00 H new ATOM 0 HA PHE A 23 93.770 7.959 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.800 9.216 5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.809 8.726 4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.913 7.515 7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.302 6.374 3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.758 5.225 8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 23 91.145 4.085 4.793 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.370 3.510 6.871 1.00 0.00 H new ATOM 356 N SER A 24 95.165 10.291 2.706 1.00 0.00 N ATOM 357 CA SER A 24 95.424 11.688 2.257 1.00 0.00 C ATOM 358 C SER A 24 94.708 11.937 0.927 1.00 0.00 C ATOM 359 O SER A 24 94.359 11.016 0.217 1.00 0.00 O ATOM 360 CB SER A 24 96.927 11.894 2.073 1.00 0.00 C ATOM 361 OG SER A 24 97.530 10.661 1.704 1.00 0.00 O ATOM 0 H SER A 24 95.830 9.596 2.367 1.00 0.00 H new ATOM 0 HA SER A 24 95.051 12.386 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.111 12.646 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.370 12.266 2.997 1.00 0.00 H new ATOM 0 HG SER A 24 98.494 10.791 1.584 1.00 0.00 H new ATOM 367 N ASN A 25 94.488 13.177 0.585 1.00 0.00 N ATOM 368 CA ASN A 25 93.795 13.483 -0.698 1.00 0.00 C ATOM 369 C ASN A 25 94.829 13.623 -1.818 1.00 0.00 C ATOM 370 O ASN A 25 94.491 13.875 -2.958 1.00 0.00 O ATOM 371 CB ASN A 25 93.018 14.795 -0.556 1.00 0.00 C ATOM 372 CG ASN A 25 91.821 14.581 0.372 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.975 14.117 1.484 1.00 0.00 O ATOM 374 ND2 ASN A 25 90.626 14.902 -0.040 1.00 0.00 N ATOM 0 H ASN A 25 94.758 13.990 1.138 1.00 0.00 H new ATOM 0 HA ASN A 25 93.105 12.674 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.668 15.573 -0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.677 15.136 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 25 89.821 14.763 0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 25 90.496 15.292 -0.974 1.00 0.00 H new ATOM 381 N ARG A 26 96.086 13.460 -1.506 1.00 0.00 N ATOM 382 CA ARG A 26 97.135 13.585 -2.557 1.00 0.00 C ATOM 383 C ARG A 26 97.351 12.227 -3.226 1.00 0.00 C ATOM 384 O ARG A 26 97.296 11.194 -2.589 1.00 0.00 O ATOM 385 CB ARG A 26 98.444 14.055 -1.918 1.00 0.00 C ATOM 386 CG ARG A 26 98.699 13.269 -0.632 1.00 0.00 C ATOM 387 CD ARG A 26 100.195 13.281 -0.314 1.00 0.00 C ATOM 388 NE ARG A 26 100.437 14.093 0.912 1.00 0.00 N ATOM 389 CZ ARG A 26 100.122 15.359 0.930 1.00 0.00 C ATOM 390 NH1 ARG A 26 100.911 16.236 0.373 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.016 15.748 1.503 1.00 0.00 N ATOM 0 H ARG A 26 96.431 13.246 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 26 96.816 14.311 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.271 13.912 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.391 15.122 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.138 13.708 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.349 12.243 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.554 12.263 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.753 13.696 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 26 100.849 13.659 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.775 15.932 -0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 26 100.664 17.226 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 26 98.398 15.062 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 26 98.770 16.738 1.517 1.00 0.00 H new ATOM 405 N THR A 27 97.598 12.220 -4.507 1.00 0.00 N ATOM 406 CA THR A 27 97.819 10.928 -5.217 1.00 0.00 C ATOM 407 C THR A 27 99.319 10.708 -5.417 1.00 0.00 C ATOM 408 O THR A 27 100.021 11.564 -5.920 1.00 0.00 O ATOM 409 CB THR A 27 97.122 10.968 -6.579 1.00 0.00 C ATOM 410 OG1 THR A 27 97.566 12.108 -7.302 1.00 0.00 O ATOM 411 CG2 THR A 27 95.608 11.048 -6.377 1.00 0.00 C ATOM 0 H THR A 27 97.656 13.053 -5.093 1.00 0.00 H new ATOM 0 HA THR A 27 97.408 10.111 -4.623 1.00 0.00 H new ATOM 0 HB THR A 27 97.364 10.065 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.498 12.301 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.112 11.076 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.268 10.174 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.363 11.951 -5.818 1.00 0.00 H new ATOM 419 N LEU A 28 99.820 9.567 -5.026 1.00 0.00 N ATOM 420 CA LEU A 28 101.276 9.297 -5.194 1.00 0.00 C ATOM 421 C LEU A 28 101.472 8.057 -6.069 1.00 0.00 C ATOM 422 O LEU A 28 100.622 7.191 -6.138 1.00 0.00 O ATOM 423 CB LEU A 28 101.911 9.058 -3.821 1.00 0.00 C ATOM 424 CG LEU A 28 101.276 9.994 -2.792 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.652 9.533 -1.383 1.00 0.00 C ATOM 426 CD2 LEU A 28 101.788 11.419 -3.014 1.00 0.00 C ATOM 0 H LEU A 28 99.284 8.812 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 28 101.750 10.154 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.770 8.020 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.986 9.232 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 28 100.192 9.975 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.200 10.200 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.289 8.518 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 28 102.736 9.552 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 101.336 12.087 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.872 11.438 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 101.522 11.749 -4.018 1.00 0.00 H new ATOM 438 N ALA A 29 102.590 7.964 -6.736 1.00 0.00 N ATOM 439 CA ALA A 29 102.849 6.781 -7.604 1.00 0.00 C ATOM 440 C ALA A 29 104.093 6.048 -7.094 1.00 0.00 C ATOM 441 O ALA A 29 104.686 5.247 -7.789 1.00 0.00 O ATOM 442 CB ALA A 29 103.082 7.246 -9.043 1.00 0.00 C ATOM 0 H ALA A 29 103.337 8.658 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 29 101.991 6.109 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.272 6.381 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.199 7.774 -9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.942 7.915 -9.074 1.00 0.00 H new ATOM 448 N CYS A 30 104.488 6.319 -5.881 1.00 0.00 N ATOM 449 CA CYS A 30 105.688 5.646 -5.309 1.00 0.00 C ATOM 450 C CYS A 30 105.419 5.339 -3.835 1.00 0.00 C ATOM 451 O CYS A 30 104.962 6.187 -3.094 1.00 0.00 O ATOM 452 CB CYS A 30 106.900 6.572 -5.428 1.00 0.00 C ATOM 453 SG CYS A 30 108.274 5.904 -4.457 1.00 0.00 S ATOM 0 H CYS A 30 104.028 6.982 -5.257 1.00 0.00 H new ATOM 0 HA CYS A 30 105.892 4.722 -5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.194 6.670 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.643 7.571 -5.074 1.00 0.00 H new ATOM 0 HG CYS A 30 108.621 6.765 -3.546 1.00 0.00 H new ATOM 459 N PHE A 31 105.682 4.137 -3.398 1.00 0.00 N ATOM 460 CA PHE A 31 105.412 3.811 -1.970 1.00 0.00 C ATOM 461 C PHE A 31 106.509 2.899 -1.407 1.00 0.00 C ATOM 462 O PHE A 31 107.118 2.119 -2.118 1.00 0.00 O ATOM 463 CB PHE A 31 104.063 3.095 -1.853 1.00 0.00 C ATOM 464 CG PHE A 31 103.035 3.760 -2.743 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.165 3.703 -4.137 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.941 4.421 -2.171 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.206 4.310 -4.956 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.980 5.024 -2.989 1.00 0.00 C ATOM 469 CZ PHE A 31 101.112 4.971 -4.381 1.00 0.00 C ATOM 0 H PHE A 31 106.067 3.377 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 31 105.395 4.741 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.174 2.048 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.723 3.113 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 31 104.006 3.190 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.839 4.465 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.309 4.269 -6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.136 5.531 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.371 5.439 -5.012 1.00 0.00 H new ATOM 479 N ALA A 32 106.747 2.986 -0.125 1.00 0.00 N ATOM 480 CA ALA A 32 107.782 2.124 0.512 1.00 0.00 C ATOM 481 C ALA A 32 107.098 1.215 1.532 1.00 0.00 C ATOM 482 O ALA A 32 106.452 1.675 2.452 1.00 0.00 O ATOM 483 CB ALA A 32 108.815 2.997 1.225 1.00 0.00 C ATOM 0 H ALA A 32 106.265 3.621 0.511 1.00 0.00 H new ATOM 0 HA ALA A 32 108.285 1.527 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.570 2.362 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.292 3.659 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.320 3.593 1.992 1.00 0.00 H new ATOM 489 N ILE A 33 107.221 -0.070 1.371 1.00 0.00 N ATOM 490 CA ILE A 33 106.564 -1.003 2.327 1.00 0.00 C ATOM 491 C ILE A 33 107.581 -1.502 3.354 1.00 0.00 C ATOM 492 O ILE A 33 108.664 -1.932 3.013 1.00 0.00 O ATOM 493 CB ILE A 33 105.999 -2.199 1.559 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.781 -1.755 0.745 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.578 -3.290 2.545 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.761 -2.501 -0.589 1.00 0.00 C ATOM 0 H ILE A 33 107.747 -0.516 0.620 1.00 0.00 H new ATOM 0 HA ILE A 33 105.760 -0.478 2.843 1.00 0.00 H new ATOM 0 HB ILE A 33 106.764 -2.590 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.865 -1.957 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.818 -0.679 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.176 -4.141 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.443 -3.609 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.814 -2.898 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.894 -2.185 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.671 -2.276 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.704 -3.574 -0.405 1.00 0.00 H new ATOM 508 N TYR A 34 107.230 -1.468 4.610 1.00 0.00 N ATOM 509 CA TYR A 34 108.163 -1.963 5.658 1.00 0.00 C ATOM 510 C TYR A 34 107.513 -3.148 6.364 1.00 0.00 C ATOM 511 O TYR A 34 106.723 -2.985 7.274 1.00 0.00 O ATOM 512 CB TYR A 34 108.453 -0.860 6.677 1.00 0.00 C ATOM 513 CG TYR A 34 109.203 -1.439 7.860 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.895 -2.657 7.736 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.212 -0.757 9.082 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.588 -3.185 8.829 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.906 -1.285 10.175 1.00 0.00 C ATOM 518 CZ TYR A 34 110.595 -2.499 10.050 1.00 0.00 C ATOM 519 OH TYR A 34 111.284 -3.018 11.127 1.00 0.00 O ATOM 0 H TYR A 34 106.336 -1.118 4.955 1.00 0.00 H new ATOM 0 HA TYR A 34 109.103 -2.264 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.042 -0.069 6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.520 -0.407 7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 34 109.891 -3.186 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.682 0.179 9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.118 -4.121 8.732 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.911 -0.757 11.117 1.00 0.00 H new ATOM 0 HH TYR A 34 111.861 -2.325 11.511 1.00 0.00 H new ATOM 529 N THR A 35 107.834 -4.338 5.953 1.00 0.00 N ATOM 530 CA THR A 35 107.231 -5.531 6.599 1.00 0.00 C ATOM 531 C THR A 35 108.342 -6.498 6.991 1.00 0.00 C ATOM 532 O THR A 35 109.510 -6.161 6.966 1.00 0.00 O ATOM 533 CB THR A 35 106.278 -6.215 5.618 1.00 0.00 C ATOM 534 OG1 THR A 35 107.030 -6.814 4.570 1.00 0.00 O ATOM 535 CG2 THR A 35 105.319 -5.180 5.030 1.00 0.00 C ATOM 0 H THR A 35 108.489 -4.537 5.197 1.00 0.00 H new ATOM 0 HA THR A 35 106.676 -5.229 7.487 1.00 0.00 H new ATOM 0 HB THR A 35 105.706 -6.981 6.141 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.479 -6.867 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.640 -5.669 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.743 -4.720 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 35 105.889 -4.412 4.506 1.00 0.00 H new ATOM 543 N THR A 36 107.994 -7.698 7.349 1.00 0.00 N ATOM 544 CA THR A 36 109.042 -8.680 7.733 1.00 0.00 C ATOM 545 C THR A 36 109.559 -9.355 6.459 1.00 0.00 C ATOM 546 O THR A 36 109.022 -9.159 5.387 1.00 0.00 O ATOM 547 CB THR A 36 108.469 -9.730 8.700 1.00 0.00 C ATOM 548 OG1 THR A 36 108.273 -10.954 8.005 1.00 0.00 O ATOM 549 CG2 THR A 36 107.129 -9.258 9.288 1.00 0.00 C ATOM 0 H THR A 36 107.035 -8.041 7.393 1.00 0.00 H new ATOM 0 HA THR A 36 109.859 -8.169 8.242 1.00 0.00 H new ATOM 0 HB THR A 36 109.177 -9.873 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.909 -11.625 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 36 106.743 -10.017 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 36 107.279 -8.325 9.832 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.414 -9.097 8.481 1.00 0.00 H new ATOM 557 N LYS A 37 110.602 -10.129 6.555 1.00 0.00 N ATOM 558 CA LYS A 37 111.148 -10.789 5.338 1.00 0.00 C ATOM 559 C LYS A 37 110.068 -11.644 4.667 1.00 0.00 C ATOM 560 O LYS A 37 109.870 -11.577 3.469 1.00 0.00 O ATOM 561 CB LYS A 37 112.335 -11.670 5.737 1.00 0.00 C ATOM 562 CG LYS A 37 111.830 -12.940 6.422 1.00 0.00 C ATOM 563 CD LYS A 37 113.020 -13.751 6.938 1.00 0.00 C ATOM 564 CE LYS A 37 112.741 -14.212 8.370 1.00 0.00 C ATOM 565 NZ LYS A 37 113.189 -15.625 8.533 1.00 0.00 N ATOM 0 H LYS A 37 111.099 -10.333 7.422 1.00 0.00 H new ATOM 0 HA LYS A 37 111.475 -10.027 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.920 -11.930 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.997 -11.122 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.168 -12.681 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.247 -13.537 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.193 -14.613 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.926 -13.146 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.264 -13.569 9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 37 111.677 -14.129 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 113.000 -15.939 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.671 -16.232 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.209 -15.690 8.340 1.00 0.00 H new ATOM 579 N GLU A 38 109.372 -12.451 5.420 1.00 0.00 N ATOM 580 CA GLU A 38 108.319 -13.307 4.817 1.00 0.00 C ATOM 581 C GLU A 38 107.207 -12.430 4.241 1.00 0.00 C ATOM 582 O GLU A 38 106.401 -12.872 3.446 1.00 0.00 O ATOM 583 CB GLU A 38 107.739 -14.231 5.890 1.00 0.00 C ATOM 584 CG GLU A 38 108.239 -15.659 5.660 1.00 0.00 C ATOM 585 CD GLU A 38 108.682 -16.266 6.992 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.155 -15.520 7.834 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.541 -17.468 7.148 1.00 0.00 O ATOM 0 H GLU A 38 109.489 -12.553 6.428 1.00 0.00 H new ATOM 0 HA GLU A 38 108.754 -13.905 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.035 -13.886 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.650 -14.206 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.449 -16.265 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.071 -15.655 4.956 1.00 0.00 H new ATOM 594 N LYS A 39 107.154 -11.191 4.640 1.00 0.00 N ATOM 595 CA LYS A 39 106.092 -10.283 4.123 1.00 0.00 C ATOM 596 C LYS A 39 106.517 -9.702 2.773 1.00 0.00 C ATOM 597 O LYS A 39 105.902 -9.954 1.755 1.00 0.00 O ATOM 598 CB LYS A 39 105.881 -9.145 5.122 1.00 0.00 C ATOM 599 CG LYS A 39 105.181 -9.688 6.366 1.00 0.00 C ATOM 600 CD LYS A 39 103.743 -10.056 6.013 1.00 0.00 C ATOM 601 CE LYS A 39 102.803 -8.956 6.506 1.00 0.00 C ATOM 602 NZ LYS A 39 101.837 -9.530 7.485 1.00 0.00 N ATOM 0 H LYS A 39 107.802 -10.766 5.304 1.00 0.00 H new ATOM 0 HA LYS A 39 105.165 -10.842 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.839 -8.702 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.282 -8.355 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.711 -10.563 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.193 -8.941 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.642 -10.180 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.477 -11.009 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.376 -8.155 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.267 -8.517 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 100.919 -9.679 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.198 -10.440 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.719 -8.873 8.282 1.00 0.00 H new ATOM 616 N ALA A 40 107.559 -8.919 2.758 1.00 0.00 N ATOM 617 CA ALA A 40 108.023 -8.313 1.480 1.00 0.00 C ATOM 618 C ALA A 40 108.153 -9.397 0.408 1.00 0.00 C ATOM 619 O ALA A 40 107.964 -9.144 -0.764 1.00 0.00 O ATOM 620 CB ALA A 40 109.388 -7.656 1.697 1.00 0.00 C ATOM 0 H ALA A 40 108.111 -8.672 3.579 1.00 0.00 H new ATOM 0 HA ALA A 40 107.299 -7.566 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.730 -7.211 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.302 -6.880 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.106 -8.408 2.025 1.00 0.00 H new ATOM 626 N ALA A 41 108.480 -10.600 0.794 1.00 0.00 N ATOM 627 CA ALA A 41 108.622 -11.687 -0.216 1.00 0.00 C ATOM 628 C ALA A 41 107.338 -11.790 -1.036 1.00 0.00 C ATOM 629 O ALA A 41 107.334 -11.569 -2.230 1.00 0.00 O ATOM 630 CB ALA A 41 108.888 -13.015 0.494 1.00 0.00 C ATOM 0 H ALA A 41 108.654 -10.876 1.760 1.00 0.00 H new ATOM 0 HA ALA A 41 109.457 -11.461 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 41 108.992 -13.809 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 41 109.807 -12.939 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.056 -13.245 1.159 1.00 0.00 H new ATOM 636 N LEU A 42 106.247 -12.118 -0.405 1.00 0.00 N ATOM 637 CA LEU A 42 104.963 -12.225 -1.151 1.00 0.00 C ATOM 638 C LEU A 42 104.735 -10.926 -1.924 1.00 0.00 C ATOM 639 O LEU A 42 104.642 -10.920 -3.135 1.00 0.00 O ATOM 640 CB LEU A 42 103.812 -12.446 -0.166 1.00 0.00 C ATOM 641 CG LEU A 42 103.960 -13.817 0.494 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.321 -13.640 1.970 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.639 -14.582 0.384 1.00 0.00 C ATOM 0 H LEU A 42 106.188 -12.317 0.594 1.00 0.00 H new ATOM 0 HA LEU A 42 105.005 -13.066 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.814 -11.664 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.857 -12.383 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 42 104.749 -14.376 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.426 -14.618 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.262 -13.096 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.533 -13.080 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.744 -15.560 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 42 101.851 -14.021 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.380 -14.711 -0.667 1.00 0.00 H new ATOM 655 N LEU A 43 104.653 -9.824 -1.227 1.00 0.00 N ATOM 656 CA LEU A 43 104.444 -8.513 -1.906 1.00 0.00 C ATOM 657 C LEU A 43 105.292 -8.452 -3.180 1.00 0.00 C ATOM 658 O LEU A 43 104.926 -7.825 -4.154 1.00 0.00 O ATOM 659 CB LEU A 43 104.886 -7.381 -0.970 1.00 0.00 C ATOM 660 CG LEU A 43 103.786 -7.058 0.045 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.602 -6.406 -0.672 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.321 -8.339 0.739 1.00 0.00 C ATOM 0 H LEU A 43 104.722 -9.776 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 43 103.389 -8.404 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.797 -7.670 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.122 -6.491 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 43 104.183 -6.371 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.820 -6.177 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.931 -5.486 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.211 -7.091 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.539 -8.099 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 43 102.930 -9.034 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.163 -8.798 1.257 1.00 0.00 H new ATOM 674 N TYR A 44 106.431 -9.089 -3.171 1.00 0.00 N ATOM 675 CA TYR A 44 107.315 -9.061 -4.370 1.00 0.00 C ATOM 676 C TYR A 44 106.617 -9.739 -5.552 1.00 0.00 C ATOM 677 O TYR A 44 106.288 -9.105 -6.535 1.00 0.00 O ATOM 678 CB TYR A 44 108.624 -9.796 -4.060 1.00 0.00 C ATOM 679 CG TYR A 44 109.728 -9.219 -4.913 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.403 -8.065 -4.499 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.063 -9.827 -6.128 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.415 -7.522 -5.299 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.069 -9.280 -6.931 1.00 0.00 C ATOM 684 CZ TYR A 44 111.746 -8.126 -6.518 1.00 0.00 C ATOM 685 OH TYR A 44 112.735 -7.579 -7.312 1.00 0.00 O ATOM 0 H TYR A 44 106.788 -9.629 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 44 107.530 -8.024 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.872 -9.693 -3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.513 -10.862 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.143 -7.594 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 44 109.544 -10.719 -6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.941 -6.636 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.324 -9.748 -7.870 1.00 0.00 H new ATOM 0 HH TYR A 44 113.353 -8.284 -7.597 1.00 0.00 H new ATOM 695 N LYS A 45 106.399 -11.021 -5.470 1.00 0.00 N ATOM 696 CA LYS A 45 105.735 -11.738 -6.595 1.00 0.00 C ATOM 697 C LYS A 45 104.338 -11.159 -6.841 1.00 0.00 C ATOM 698 O LYS A 45 103.731 -11.407 -7.865 1.00 0.00 O ATOM 699 CB LYS A 45 105.612 -13.223 -6.249 1.00 0.00 C ATOM 700 CG LYS A 45 105.599 -14.049 -7.537 1.00 0.00 C ATOM 701 CD LYS A 45 107.028 -14.458 -7.897 1.00 0.00 C ATOM 702 CE LYS A 45 107.016 -15.263 -9.198 1.00 0.00 C ATOM 703 NZ LYS A 45 107.755 -14.514 -10.253 1.00 0.00 N ATOM 0 H LYS A 45 106.652 -11.604 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 45 106.335 -11.615 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.445 -13.530 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 104.698 -13.400 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 45 104.978 -14.935 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 45 105.160 -13.469 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.653 -13.572 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.461 -15.053 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.477 -16.238 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 45 105.989 -15.444 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.747 -15.061 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.297 -13.594 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.738 -14.364 -9.948 1.00 0.00 H new ATOM 717 N LYS A 46 103.810 -10.404 -5.916 1.00 0.00 N ATOM 718 CA LYS A 46 102.447 -9.837 -6.120 1.00 0.00 C ATOM 719 C LYS A 46 102.532 -8.463 -6.797 1.00 0.00 C ATOM 720 O LYS A 46 102.328 -8.338 -7.988 1.00 0.00 O ATOM 721 CB LYS A 46 101.746 -9.701 -4.769 1.00 0.00 C ATOM 722 CG LYS A 46 101.640 -11.077 -4.109 1.00 0.00 C ATOM 723 CD LYS A 46 100.385 -11.129 -3.235 1.00 0.00 C ATOM 724 CE LYS A 46 100.433 -12.373 -2.345 1.00 0.00 C ATOM 725 NZ LYS A 46 100.807 -13.557 -3.169 1.00 0.00 N ATOM 0 H LYS A 46 104.260 -10.157 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 46 101.879 -10.508 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.302 -9.019 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.753 -9.273 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.598 -11.855 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.526 -11.271 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.320 -10.231 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.493 -11.151 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 46 101.157 -12.232 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.463 -12.535 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 100.519 -14.427 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 100.327 -13.505 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 101.837 -13.567 -3.316 1.00 0.00 H new ATOM 739 N ILE A 47 102.812 -7.432 -6.047 1.00 0.00 N ATOM 740 CA ILE A 47 102.887 -6.067 -6.648 1.00 0.00 C ATOM 741 C ILE A 47 103.641 -6.112 -7.981 1.00 0.00 C ATOM 742 O ILE A 47 103.415 -5.301 -8.857 1.00 0.00 O ATOM 743 CB ILE A 47 103.627 -5.123 -5.700 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.976 -5.184 -4.298 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.583 -3.705 -6.284 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.339 -3.839 -3.908 1.00 0.00 C ATOM 0 H ILE A 47 102.992 -7.475 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 47 101.871 -5.709 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 47 104.670 -5.422 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.216 -5.965 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.729 -5.458 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.108 -3.021 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.064 -3.699 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.546 -3.386 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.892 -3.922 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.105 -3.063 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.568 -3.578 -4.633 1.00 0.00 H new ATOM 758 N MET A 48 104.546 -7.037 -8.134 1.00 0.00 N ATOM 759 CA MET A 48 105.326 -7.118 -9.403 1.00 0.00 C ATOM 760 C MET A 48 104.410 -6.889 -10.610 1.00 0.00 C ATOM 761 O MET A 48 104.725 -6.120 -11.497 1.00 0.00 O ATOM 762 CB MET A 48 105.976 -8.498 -9.515 1.00 0.00 C ATOM 763 CG MET A 48 107.470 -8.332 -9.800 1.00 0.00 C ATOM 764 SD MET A 48 108.426 -9.188 -8.524 1.00 0.00 S ATOM 765 CE MET A 48 108.552 -7.807 -7.360 1.00 0.00 C ATOM 0 H MET A 48 104.781 -7.742 -7.435 1.00 0.00 H new ATOM 0 HA MET A 48 106.095 -6.346 -9.392 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.830 -9.057 -8.591 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.504 -9.072 -10.312 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.711 -8.737 -10.783 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.732 -7.274 -9.818 1.00 0.00 H new ATOM 0 HE1 MET A 48 108.393 -8.171 -6.345 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.543 -7.358 -7.434 1.00 0.00 H new ATOM 0 HE3 MET A 48 107.796 -7.059 -7.599 1.00 0.00 H new ATOM 775 N GLU A 49 103.290 -7.555 -10.662 1.00 0.00 N ATOM 776 CA GLU A 49 102.376 -7.373 -11.827 1.00 0.00 C ATOM 777 C GLU A 49 101.098 -6.653 -11.390 1.00 0.00 C ATOM 778 O GLU A 49 100.319 -6.206 -12.209 1.00 0.00 O ATOM 779 CB GLU A 49 102.014 -8.744 -12.402 1.00 0.00 C ATOM 780 CG GLU A 49 101.726 -8.612 -13.899 1.00 0.00 C ATOM 781 CD GLU A 49 102.790 -9.371 -14.691 1.00 0.00 C ATOM 782 OE1 GLU A 49 103.911 -8.892 -14.752 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.468 -10.419 -15.226 1.00 0.00 O ATOM 0 H GLU A 49 102.968 -8.214 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 49 102.879 -6.772 -12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.832 -9.446 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.142 -9.147 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 100.736 -9.008 -14.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.723 -7.561 -14.188 1.00 0.00 H new ATOM 790 N LYS A 50 100.868 -6.538 -10.111 1.00 0.00 N ATOM 791 CA LYS A 50 99.632 -5.849 -9.641 1.00 0.00 C ATOM 792 C LYS A 50 99.749 -4.343 -9.897 1.00 0.00 C ATOM 793 O LYS A 50 98.762 -3.660 -10.085 1.00 0.00 O ATOM 794 CB LYS A 50 99.441 -6.103 -8.145 1.00 0.00 C ATOM 795 CG LYS A 50 98.058 -5.605 -7.717 1.00 0.00 C ATOM 796 CD LYS A 50 97.412 -6.618 -6.765 1.00 0.00 C ATOM 797 CE LYS A 50 98.414 -7.036 -5.688 1.00 0.00 C ATOM 798 NZ LYS A 50 98.580 -8.517 -5.712 1.00 0.00 N ATOM 0 H LYS A 50 101.479 -6.889 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 50 98.773 -6.240 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.539 -7.167 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.216 -5.590 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.146 -4.636 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.426 -5.462 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.528 -6.181 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.079 -7.493 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.374 -6.549 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.065 -6.714 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.809 -8.856 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.696 -8.960 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.351 -8.769 -6.363 1.00 0.00 H new ATOM 812 N TYR A 51 100.945 -3.818 -9.909 1.00 0.00 N ATOM 813 CA TYR A 51 101.114 -2.356 -10.155 1.00 0.00 C ATOM 814 C TYR A 51 102.234 -2.131 -11.169 1.00 0.00 C ATOM 815 O TYR A 51 102.757 -1.041 -11.285 1.00 0.00 O ATOM 816 CB TYR A 51 101.495 -1.651 -8.850 1.00 0.00 C ATOM 817 CG TYR A 51 100.312 -1.620 -7.916 1.00 0.00 C ATOM 818 CD1 TYR A 51 100.040 -2.724 -7.102 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.491 -0.488 -7.859 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.947 -2.697 -6.233 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.399 -0.459 -6.990 1.00 0.00 C ATOM 822 CZ TYR A 51 98.125 -1.565 -6.175 1.00 0.00 C ATOM 823 OH TYR A 51 97.045 -1.538 -5.316 1.00 0.00 O ATOM 0 H TYR A 51 101.810 -4.337 -9.760 1.00 0.00 H new ATOM 0 HA TYR A 51 100.175 -1.954 -10.537 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.329 -2.170 -8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.830 -0.635 -9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.675 -3.597 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.703 0.364 -8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.736 -3.550 -5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.766 0.415 -6.946 1.00 0.00 H new ATOM 0 HH TYR A 51 96.581 -0.679 -5.400 1.00 0.00 H new ATOM 833 N SER A 52 102.623 -3.146 -11.893 1.00 0.00 N ATOM 834 CA SER A 52 103.729 -2.962 -12.875 1.00 0.00 C ATOM 835 C SER A 52 104.851 -2.186 -12.184 1.00 0.00 C ATOM 836 O SER A 52 105.374 -1.224 -12.709 1.00 0.00 O ATOM 837 CB SER A 52 103.224 -2.171 -14.083 1.00 0.00 C ATOM 838 OG SER A 52 102.775 -3.077 -15.083 1.00 0.00 O ATOM 0 H SER A 52 102.227 -4.085 -11.848 1.00 0.00 H new ATOM 0 HA SER A 52 104.093 -3.930 -13.220 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.411 -1.509 -13.785 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.020 -1.540 -14.478 1.00 0.00 H new ATOM 0 HG SER A 52 102.449 -2.574 -15.858 1.00 0.00 H new ATOM 844 N VAL A 53 105.192 -2.598 -10.991 1.00 0.00 N ATOM 845 CA VAL A 53 106.255 -1.907 -10.202 1.00 0.00 C ATOM 846 C VAL A 53 107.334 -1.321 -11.114 1.00 0.00 C ATOM 847 O VAL A 53 107.936 -2.015 -11.909 1.00 0.00 O ATOM 848 CB VAL A 53 106.909 -2.912 -9.252 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.913 -3.315 -8.165 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.333 -4.154 -10.040 1.00 0.00 C ATOM 0 H VAL A 53 104.770 -3.399 -10.522 1.00 0.00 H new ATOM 0 HA VAL A 53 105.790 -1.093 -9.646 1.00 0.00 H new ATOM 0 HB VAL A 53 107.784 -2.456 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.381 -4.031 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.610 -2.431 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.036 -3.771 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.799 -4.872 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.457 -4.608 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.045 -3.868 -10.814 1.00 0.00 H new ATOM 860 N THR A 54 107.607 -0.051 -10.974 1.00 0.00 N ATOM 861 CA THR A 54 108.675 0.577 -11.798 1.00 0.00 C ATOM 862 C THR A 54 110.033 0.169 -11.217 1.00 0.00 C ATOM 863 O THR A 54 111.076 0.533 -11.720 1.00 0.00 O ATOM 864 CB THR A 54 108.529 2.099 -11.758 1.00 0.00 C ATOM 865 OG1 THR A 54 107.175 2.434 -11.480 1.00 0.00 O ATOM 866 CG2 THR A 54 108.934 2.682 -13.114 1.00 0.00 C ATOM 0 H THR A 54 107.135 0.577 -10.324 1.00 0.00 H new ATOM 0 HA THR A 54 108.596 0.246 -12.833 1.00 0.00 H new ATOM 0 HB THR A 54 109.172 2.510 -10.980 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.078 3.409 -11.452 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.831 3.767 -13.089 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.970 2.421 -13.328 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.289 2.274 -13.893 1.00 0.00 H new ATOM 874 N PHE A 55 110.013 -0.589 -10.152 1.00 0.00 N ATOM 875 CA PHE A 55 111.270 -1.042 -9.507 1.00 0.00 C ATOM 876 C PHE A 55 110.932 -1.499 -8.087 1.00 0.00 C ATOM 877 O PHE A 55 110.332 -0.769 -7.323 1.00 0.00 O ATOM 878 CB PHE A 55 112.277 0.112 -9.452 1.00 0.00 C ATOM 879 CG PHE A 55 113.323 -0.188 -8.403 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.387 -1.045 -8.703 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.217 0.377 -7.127 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.347 -1.333 -7.728 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.177 0.092 -6.155 1.00 0.00 C ATOM 884 CZ PHE A 55 115.243 -0.762 -6.456 1.00 0.00 C ATOM 0 H PHE A 55 109.160 -0.916 -9.698 1.00 0.00 H new ATOM 0 HA PHE A 55 111.712 -1.859 -10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.749 0.245 -10.425 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.766 1.045 -9.216 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.467 -1.484 -9.687 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.392 1.034 -6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 55 116.168 -1.996 -7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.097 0.530 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.987 -0.981 -5.704 1.00 0.00 H new ATOM 894 N ILE A 56 111.307 -2.691 -7.721 1.00 0.00 N ATOM 895 CA ILE A 56 110.993 -3.159 -6.349 1.00 0.00 C ATOM 896 C ILE A 56 112.231 -3.816 -5.738 1.00 0.00 C ATOM 897 O ILE A 56 112.824 -4.703 -6.320 1.00 0.00 O ATOM 898 CB ILE A 56 109.840 -4.159 -6.406 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.653 -4.801 -5.032 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.154 -5.241 -7.439 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.380 -5.648 -5.039 1.00 0.00 C ATOM 0 H ILE A 56 111.813 -3.355 -8.308 1.00 0.00 H new ATOM 0 HA ILE A 56 110.699 -2.312 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 56 108.924 -3.642 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.515 -5.422 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.587 -4.031 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.331 -5.955 -7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.285 -4.782 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.070 -5.759 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.243 -6.108 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.523 -5.014 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.465 -6.427 -5.797 1.00 0.00 H new ATOM 913 N SER A 57 112.640 -3.374 -4.578 1.00 0.00 N ATOM 914 CA SER A 57 113.855 -3.964 -3.950 1.00 0.00 C ATOM 915 C SER A 57 113.597 -4.306 -2.482 1.00 0.00 C ATOM 916 O SER A 57 113.249 -3.454 -1.690 1.00 0.00 O ATOM 917 CB SER A 57 114.987 -2.949 -4.011 1.00 0.00 C ATOM 918 OG SER A 57 116.231 -3.630 -4.080 1.00 0.00 O ATOM 0 H SER A 57 112.187 -2.634 -4.042 1.00 0.00 H new ATOM 0 HA SER A 57 114.116 -4.874 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.865 -2.304 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.961 -2.306 -3.131 1.00 0.00 H new ATOM 0 HG SER A 57 116.120 -4.547 -3.753 1.00 0.00 H new ATOM 924 N ARG A 58 113.797 -5.537 -2.103 1.00 0.00 N ATOM 925 CA ARG A 58 113.598 -5.914 -0.675 1.00 0.00 C ATOM 926 C ARG A 58 114.899 -5.622 0.080 1.00 0.00 C ATOM 927 O ARG A 58 115.935 -6.185 -0.216 1.00 0.00 O ATOM 928 CB ARG A 58 113.265 -7.404 -0.573 1.00 0.00 C ATOM 929 CG ARG A 58 112.360 -7.810 -1.738 1.00 0.00 C ATOM 930 CD ARG A 58 111.405 -8.915 -1.282 1.00 0.00 C ATOM 931 NE ARG A 58 111.956 -10.242 -1.675 1.00 0.00 N ATOM 932 CZ ARG A 58 112.849 -10.827 -0.925 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.648 -10.941 0.361 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.942 -11.297 -1.459 1.00 0.00 N ATOM 0 H ARG A 58 114.089 -6.297 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 58 112.775 -5.343 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 114.182 -7.993 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 58 112.769 -7.612 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.794 -6.948 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.963 -8.159 -2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.271 -8.871 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.423 -8.770 -1.732 1.00 0.00 H new ATOM 0 HE ARG A 58 111.635 -10.694 -2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.793 -10.573 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.346 -11.398 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.099 -11.207 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 58 114.640 -11.754 -0.873 1.00 0.00 H new ATOM 948 N HIS A 59 114.864 -4.730 1.037 1.00 0.00 N ATOM 949 CA HIS A 59 116.112 -4.394 1.785 1.00 0.00 C ATOM 950 C HIS A 59 116.025 -4.897 3.229 1.00 0.00 C ATOM 951 O HIS A 59 115.029 -5.446 3.653 1.00 0.00 O ATOM 952 CB HIS A 59 116.300 -2.876 1.805 1.00 0.00 C ATOM 953 CG HIS A 59 116.578 -2.380 0.414 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.856 -2.058 -0.016 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.751 -2.136 -0.652 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.761 -1.642 -1.292 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.499 -1.669 -1.729 1.00 0.00 N ATOM 0 H HIS A 59 114.030 -4.222 1.331 1.00 0.00 H new ATOM 0 HA HIS A 59 116.954 -4.874 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.406 -2.395 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.124 -2.611 2.467 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.712 -2.124 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.681 -2.284 -0.656 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.603 -1.325 -1.890 1.00 0.00 H new ATOM 965 N ASN A 60 117.073 -4.696 3.985 1.00 0.00 N ATOM 966 CA ASN A 60 117.079 -5.138 5.408 1.00 0.00 C ATOM 967 C ASN A 60 117.322 -3.923 6.307 1.00 0.00 C ATOM 968 O ASN A 60 118.114 -3.057 5.992 1.00 0.00 O ATOM 969 CB ASN A 60 118.201 -6.155 5.623 1.00 0.00 C ATOM 970 CG ASN A 60 117.615 -7.568 5.659 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.498 -7.814 5.033 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 118.184 -8.458 6.260 1.00 0.00 N flip ATOM 0 H ASN A 60 117.931 -4.241 3.673 1.00 0.00 H new ATOM 0 HA ASN A 60 116.121 -5.597 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.936 -6.076 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.723 -5.943 6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 60 119.058 -8.265 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.788 -9.398 6.275 1.00 0.00 H new ATOM 979 N SER A 61 116.651 -3.850 7.424 1.00 0.00 N ATOM 980 CA SER A 61 116.850 -2.688 8.336 1.00 0.00 C ATOM 981 C SER A 61 117.552 -3.156 9.611 1.00 0.00 C ATOM 982 O SER A 61 118.744 -2.987 9.773 1.00 0.00 O ATOM 983 CB SER A 61 115.493 -2.080 8.695 1.00 0.00 C ATOM 984 OG SER A 61 114.532 -3.120 8.815 1.00 0.00 O ATOM 0 H SER A 61 115.975 -4.543 7.744 1.00 0.00 H new ATOM 0 HA SER A 61 117.463 -1.937 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.566 -1.526 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.185 -1.370 7.927 1.00 0.00 H new ATOM 0 HG SER A 61 113.661 -2.735 9.047 1.00 0.00 H new ATOM 990 N TYR A 62 116.822 -3.746 10.517 1.00 0.00 N ATOM 991 CA TYR A 62 117.450 -4.226 11.780 1.00 0.00 C ATOM 992 C TYR A 62 117.029 -5.672 12.038 1.00 0.00 C ATOM 993 O TYR A 62 117.828 -6.502 12.424 1.00 0.00 O ATOM 994 CB TYR A 62 116.993 -3.343 12.943 1.00 0.00 C ATOM 995 CG TYR A 62 117.213 -1.893 12.588 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.248 -1.198 11.849 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.384 -1.244 12.995 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.454 0.145 11.519 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.590 0.100 12.664 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.625 0.795 11.927 1.00 0.00 C ATOM 1001 OH TYR A 62 117.828 2.120 11.602 1.00 0.00 O ATOM 0 H TYR A 62 115.819 -3.916 10.438 1.00 0.00 H new ATOM 0 HA TYR A 62 118.535 -4.175 11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.939 -3.521 13.157 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.548 -3.596 13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.345 -1.699 11.534 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.129 -1.780 13.564 1.00 0.00 H new ATOM 0 HE1 TYR A 62 115.710 0.681 10.949 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.494 0.601 12.978 1.00 0.00 H new ATOM 0 HH TYR A 62 118.690 2.417 11.963 1.00 0.00 H new ATOM 1011 N ASN A 63 115.778 -5.983 11.832 1.00 0.00 N ATOM 1012 CA ASN A 63 115.311 -7.377 12.070 1.00 0.00 C ATOM 1013 C ASN A 63 114.213 -7.733 11.064 1.00 0.00 C ATOM 1014 O ASN A 63 113.529 -8.725 11.206 1.00 0.00 O ATOM 1015 CB ASN A 63 114.756 -7.489 13.493 1.00 0.00 C ATOM 1016 CG ASN A 63 115.818 -7.023 14.491 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.908 -7.557 14.529 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.542 -6.043 15.307 1.00 0.00 N ATOM 0 H ASN A 63 115.061 -5.333 11.510 1.00 0.00 H new ATOM 0 HA ASN A 63 116.147 -8.065 11.947 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.856 -6.882 13.593 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.470 -8.520 13.704 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.242 -5.725 15.977 1.00 0.00 H new ATOM 0 HD22 ASN A 63 114.626 -5.595 15.275 1.00 0.00 H new ATOM 1025 N HIS A 64 114.039 -6.932 10.047 1.00 0.00 N ATOM 1026 CA HIS A 64 112.984 -7.231 9.037 1.00 0.00 C ATOM 1027 C HIS A 64 113.402 -6.670 7.676 1.00 0.00 C ATOM 1028 O HIS A 64 114.540 -6.293 7.477 1.00 0.00 O ATOM 1029 CB HIS A 64 111.663 -6.613 9.490 1.00 0.00 C ATOM 1030 CG HIS A 64 111.185 -7.345 10.715 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.144 -8.731 10.776 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.752 -6.904 11.939 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.704 -9.069 12.002 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.451 -7.994 12.752 1.00 0.00 N ATOM 0 H HIS A 64 114.581 -6.086 9.873 1.00 0.00 H new ATOM 0 HA HIS A 64 112.856 -8.309 8.943 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.797 -5.554 9.710 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.921 -6.682 8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.658 -5.868 12.229 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.572 -10.087 12.338 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.111 -7.975 13.713 1.00 0.00 H new ATOM 1042 N ASN A 65 112.504 -6.629 6.728 1.00 0.00 N ATOM 1043 CA ASN A 65 112.879 -6.111 5.381 1.00 0.00 C ATOM 1044 C ASN A 65 111.901 -5.021 4.933 1.00 0.00 C ATOM 1045 O ASN A 65 110.748 -5.001 5.321 1.00 0.00 O ATOM 1046 CB ASN A 65 112.844 -7.259 4.367 1.00 0.00 C ATOM 1047 CG ASN A 65 113.561 -8.486 4.937 1.00 0.00 C ATOM 1048 OD1 ASN A 65 113.542 -8.720 6.129 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.195 -9.289 4.127 1.00 0.00 N ATOM 0 H ASN A 65 111.534 -6.929 6.827 1.00 0.00 H new ATOM 0 HA ASN A 65 113.882 -5.688 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.811 -7.511 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.321 -6.948 3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.673 -10.111 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.212 -9.094 3.126 1.00 0.00 H new ATOM 1056 N ILE A 66 112.356 -4.126 4.098 1.00 0.00 N ATOM 1057 CA ILE A 66 111.466 -3.045 3.594 1.00 0.00 C ATOM 1058 C ILE A 66 111.255 -3.260 2.096 1.00 0.00 C ATOM 1059 O ILE A 66 112.159 -3.087 1.302 1.00 0.00 O ATOM 1060 CB ILE A 66 112.121 -1.680 3.844 1.00 0.00 C ATOM 1061 CG1 ILE A 66 111.919 -1.285 5.309 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.483 -0.618 2.941 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.084 -1.814 6.147 1.00 0.00 C ATOM 0 H ILE A 66 113.312 -4.099 3.742 1.00 0.00 H new ATOM 0 HA ILE A 66 110.507 -3.069 4.112 1.00 0.00 H new ATOM 0 HB ILE A 66 113.186 -1.747 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.856 -0.201 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 66 110.977 -1.691 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.954 0.347 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.623 -0.897 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.417 -0.549 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.939 -1.532 7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.126 -2.900 6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.018 -1.387 5.782 1.00 0.00 H new ATOM 1075 N LEU A 67 110.076 -3.650 1.703 1.00 0.00 N ATOM 1076 CA LEU A 67 109.823 -3.891 0.257 1.00 0.00 C ATOM 1077 C LEU A 67 109.598 -2.562 -0.458 1.00 0.00 C ATOM 1078 O LEU A 67 108.511 -2.023 -0.471 1.00 0.00 O ATOM 1079 CB LEU A 67 108.585 -4.772 0.090 1.00 0.00 C ATOM 1080 CG LEU A 67 108.315 -4.993 -1.398 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.828 -6.373 -1.814 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.811 -4.910 -1.657 1.00 0.00 C ATOM 0 H LEU A 67 109.279 -3.812 2.318 1.00 0.00 H new ATOM 0 HA LEU A 67 110.688 -4.393 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.736 -5.729 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.723 -4.300 0.561 1.00 0.00 H new ATOM 0 HG LEU A 67 108.829 -4.227 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.634 -6.528 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.900 -6.434 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.315 -7.141 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.615 -5.067 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.299 -5.677 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.445 -3.927 -1.362 1.00 0.00 H new ATOM 1094 N PHE A 68 110.623 -2.044 -1.068 1.00 0.00 N ATOM 1095 CA PHE A 68 110.493 -0.762 -1.806 1.00 0.00 C ATOM 1096 C PHE A 68 109.837 -1.053 -3.153 1.00 0.00 C ATOM 1097 O PHE A 68 110.191 -2.003 -3.814 1.00 0.00 O ATOM 1098 CB PHE A 68 111.895 -0.194 -2.040 1.00 0.00 C ATOM 1099 CG PHE A 68 111.869 1.308 -1.955 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.360 1.938 -0.815 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.365 2.074 -3.016 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.346 3.332 -0.735 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.350 3.468 -2.939 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.839 4.099 -1.797 1.00 0.00 C ATOM 0 H PHE A 68 111.555 -2.459 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 68 109.893 -0.048 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.586 -0.595 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.262 -0.504 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.978 1.346 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.760 1.586 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.955 3.818 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.732 4.059 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.826 5.177 -1.736 1.00 0.00 H new ATOM 1114 N PHE A 69 108.884 -0.265 -3.576 1.00 0.00 N ATOM 1115 CA PHE A 69 108.250 -0.558 -4.892 1.00 0.00 C ATOM 1116 C PHE A 69 107.627 0.706 -5.489 1.00 0.00 C ATOM 1117 O PHE A 69 106.858 1.407 -4.855 1.00 0.00 O ATOM 1118 CB PHE A 69 107.183 -1.648 -4.733 1.00 0.00 C ATOM 1119 CG PHE A 69 105.941 -1.085 -4.085 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.971 -0.676 -2.747 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.751 -0.987 -4.820 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.814 -0.168 -2.145 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.596 -0.480 -4.218 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.626 -0.070 -2.881 1.00 0.00 C ATOM 0 H PHE A 69 108.524 0.550 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 69 109.023 -0.914 -5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.933 -2.065 -5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.577 -2.465 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.887 -0.752 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.727 -1.304 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.837 0.149 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.680 -0.405 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.733 0.322 -2.416 1.00 0.00 H new ATOM 1134 N LEU A 70 107.959 0.984 -6.720 1.00 0.00 N ATOM 1135 CA LEU A 70 107.404 2.179 -7.408 1.00 0.00 C ATOM 1136 C LEU A 70 106.160 1.760 -8.189 1.00 0.00 C ATOM 1137 O LEU A 70 105.801 0.599 -8.222 1.00 0.00 O ATOM 1138 CB LEU A 70 108.448 2.723 -8.386 1.00 0.00 C ATOM 1139 CG LEU A 70 108.796 4.171 -8.037 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.572 4.216 -6.718 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.660 4.755 -9.158 1.00 0.00 C ATOM 0 H LEU A 70 108.600 0.425 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 70 107.148 2.947 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 70 109.346 2.107 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 70 108.065 2.669 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 70 107.880 4.753 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.817 5.250 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.961 3.791 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.491 3.639 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.915 5.788 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.574 4.169 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 70 109.107 4.724 -10.097 1.00 0.00 H new ATOM 1153 N THR A 71 105.499 2.685 -8.824 1.00 0.00 N ATOM 1154 CA THR A 71 104.287 2.319 -9.603 1.00 0.00 C ATOM 1155 C THR A 71 104.113 3.296 -10.772 1.00 0.00 C ATOM 1156 O THR A 71 104.384 4.473 -10.636 1.00 0.00 O ATOM 1157 CB THR A 71 103.061 2.388 -8.691 1.00 0.00 C ATOM 1158 OG1 THR A 71 103.002 3.672 -8.085 1.00 0.00 O ATOM 1159 CG2 THR A 71 103.161 1.316 -7.602 1.00 0.00 C ATOM 0 H THR A 71 105.745 3.675 -8.837 1.00 0.00 H new ATOM 0 HA THR A 71 104.396 1.307 -9.993 1.00 0.00 H new ATOM 0 HB THR A 71 102.161 2.215 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 71 102.066 3.941 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.285 1.371 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 71 103.210 0.330 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 71 104.060 1.483 -7.009 1.00 0.00 H new ATOM 1167 N PRO A 72 103.661 2.777 -11.887 1.00 0.00 N ATOM 1168 CA PRO A 72 103.439 3.582 -13.100 1.00 0.00 C ATOM 1169 C PRO A 72 102.141 4.385 -12.974 1.00 0.00 C ATOM 1170 O PRO A 72 102.161 5.565 -12.686 1.00 0.00 O ATOM 1171 CB PRO A 72 103.337 2.535 -14.214 1.00 0.00 C ATOM 1172 CG PRO A 72 102.947 1.204 -13.529 1.00 0.00 C ATOM 1173 CD PRO A 72 103.331 1.346 -12.042 1.00 0.00 C ATOM 0 HA PRO A 72 104.228 4.311 -13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.590 2.825 -14.952 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.285 2.436 -14.742 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.880 1.011 -13.637 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.471 0.365 -13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.509 1.054 -11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.180 0.712 -11.788 1.00 0.00 H new ATOM 1181 N HIS A 73 101.013 3.762 -13.184 1.00 0.00 N ATOM 1182 CA HIS A 73 99.729 4.508 -13.068 1.00 0.00 C ATOM 1183 C HIS A 73 99.730 5.306 -11.761 1.00 0.00 C ATOM 1184 O HIS A 73 100.637 5.198 -10.960 1.00 0.00 O ATOM 1185 CB HIS A 73 98.547 3.527 -13.089 1.00 0.00 C ATOM 1186 CG HIS A 73 98.703 2.492 -12.004 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.790 2.367 -10.968 1.00 0.00 N ATOM 1188 CD2 HIS A 73 99.648 1.518 -11.787 1.00 0.00 C ATOM 1189 CE1 HIS A 73 98.201 1.352 -10.182 1.00 0.00 C ATOM 1190 NE2 HIS A 73 99.328 0.800 -10.638 1.00 0.00 N ATOM 0 H HIS A 73 100.926 2.776 -13.429 1.00 0.00 H new ATOM 0 HA HIS A 73 99.626 5.192 -13.911 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.613 4.071 -12.950 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.490 3.038 -14.061 1.00 0.00 H new ATOM 0 HD2 HIS A 73 100.509 1.337 -12.413 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.682 1.025 -9.293 1.00 0.00 H new ATOM 0 HE2 HIS A 73 99.844 0.020 -10.232 1.00 0.00 H new ATOM 1198 N ARG A 74 98.730 6.116 -11.541 1.00 0.00 N ATOM 1199 CA ARG A 74 98.692 6.923 -10.287 1.00 0.00 C ATOM 1200 C ARG A 74 97.676 6.318 -9.319 1.00 0.00 C ATOM 1201 O ARG A 74 96.676 5.757 -9.721 1.00 0.00 O ATOM 1202 CB ARG A 74 98.291 8.362 -10.619 1.00 0.00 C ATOM 1203 CG ARG A 74 99.301 8.957 -11.602 1.00 0.00 C ATOM 1204 CD ARG A 74 98.728 10.236 -12.216 1.00 0.00 C ATOM 1205 NE ARG A 74 97.405 9.941 -12.834 1.00 0.00 N ATOM 1206 CZ ARG A 74 96.533 10.897 -12.997 1.00 0.00 C ATOM 1207 NH1 ARG A 74 96.861 11.972 -13.659 1.00 0.00 N ATOM 1208 NH2 ARG A 74 95.334 10.781 -12.496 1.00 0.00 N ATOM 0 H ARG A 74 97.941 6.254 -12.172 1.00 0.00 H new ATOM 0 HA ARG A 74 99.678 6.919 -9.823 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.291 8.382 -11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.257 8.961 -9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.237 9.176 -11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.529 8.235 -12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.620 11.003 -11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.413 10.630 -12.967 1.00 0.00 H new ATOM 0 HE ARG A 74 97.181 8.991 -13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 74 97.799 12.065 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 74 96.179 12.720 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 74 95.078 9.942 -11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 74 94.653 11.530 -12.624 1.00 0.00 H new ATOM 1222 N HIS A 75 97.928 6.423 -8.043 1.00 0.00 N ATOM 1223 CA HIS A 75 96.981 5.846 -7.044 1.00 0.00 C ATOM 1224 C HIS A 75 97.022 6.685 -5.768 1.00 0.00 C ATOM 1225 O HIS A 75 97.616 7.744 -5.724 1.00 0.00 O ATOM 1226 CB HIS A 75 97.378 4.402 -6.698 1.00 0.00 C ATOM 1227 CG HIS A 75 98.584 3.980 -7.495 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.551 3.840 -8.873 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.866 3.674 -7.119 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.781 3.467 -9.270 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.618 3.352 -8.240 1.00 0.00 N ATOM 0 H HIS A 75 98.748 6.883 -7.648 1.00 0.00 H new ATOM 0 HA HIS A 75 95.978 5.850 -7.471 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.594 4.323 -5.632 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.545 3.730 -6.905 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.742 3.992 -9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.235 3.682 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 75 100.056 3.283 -10.298 1.00 0.00 H new ATOM 1239 N ARG A 76 96.405 6.209 -4.724 1.00 0.00 N ATOM 1240 CA ARG A 76 96.414 6.961 -3.441 1.00 0.00 C ATOM 1241 C ARG A 76 96.890 6.027 -2.328 1.00 0.00 C ATOM 1242 O ARG A 76 96.489 4.882 -2.255 1.00 0.00 O ATOM 1243 CB ARG A 76 95.003 7.459 -3.124 1.00 0.00 C ATOM 1244 CG ARG A 76 94.529 8.394 -4.238 1.00 0.00 C ATOM 1245 CD ARG A 76 93.428 9.311 -3.703 1.00 0.00 C ATOM 1246 NE ARG A 76 92.104 8.650 -3.874 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.006 9.350 -3.772 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.479 9.570 -2.598 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.435 9.826 -4.844 1.00 0.00 N ATOM 0 H ARG A 76 95.893 5.327 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 76 97.083 7.818 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.321 6.614 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.997 7.983 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.364 8.989 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.155 7.812 -5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.603 9.531 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.443 10.263 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 76 92.055 7.650 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 76 90.925 9.195 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 76 89.622 10.117 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.846 9.651 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.578 10.373 -4.765 1.00 0.00 H new ATOM 1263 N VAL A 77 97.747 6.497 -1.465 1.00 0.00 N ATOM 1264 CA VAL A 77 98.246 5.623 -0.367 1.00 0.00 C ATOM 1265 C VAL A 77 97.076 4.850 0.248 1.00 0.00 C ATOM 1266 O VAL A 77 97.251 3.788 0.808 1.00 0.00 O ATOM 1267 CB VAL A 77 98.923 6.483 0.702 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.102 5.669 1.987 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.294 6.927 0.189 1.00 0.00 C ATOM 0 H VAL A 77 98.122 7.445 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 77 98.970 4.913 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 77 98.304 7.355 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.585 6.286 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.127 5.344 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.722 4.796 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.784 7.541 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.906 6.050 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.170 7.508 -0.725 1.00 0.00 H new ATOM 1279 N SER A 78 95.883 5.369 0.146 1.00 0.00 N ATOM 1280 CA SER A 78 94.712 4.653 0.723 1.00 0.00 C ATOM 1281 C SER A 78 94.520 3.324 -0.014 1.00 0.00 C ATOM 1282 O SER A 78 94.423 2.276 0.592 1.00 0.00 O ATOM 1283 CB SER A 78 93.458 5.513 0.564 1.00 0.00 C ATOM 1284 OG SER A 78 93.840 6.863 0.338 1.00 0.00 O ATOM 0 H SER A 78 95.670 6.256 -0.311 1.00 0.00 H new ATOM 0 HA SER A 78 94.885 4.462 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.857 5.149 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.839 5.443 1.459 1.00 0.00 H new ATOM 0 HG SER A 78 93.038 7.417 0.234 1.00 0.00 H new ATOM 1290 N ALA A 79 94.466 3.360 -1.318 1.00 0.00 N ATOM 1291 CA ALA A 79 94.283 2.098 -2.094 1.00 0.00 C ATOM 1292 C ALA A 79 95.496 1.189 -1.876 1.00 0.00 C ATOM 1293 O ALA A 79 95.363 0.048 -1.480 1.00 0.00 O ATOM 1294 CB ALA A 79 94.152 2.429 -3.582 1.00 0.00 C ATOM 0 H ALA A 79 94.541 4.208 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 79 93.381 1.588 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 79 94.018 1.508 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.290 3.078 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 79 95.054 2.937 -3.923 1.00 0.00 H new ATOM 1300 N ILE A 80 96.676 1.687 -2.126 1.00 0.00 N ATOM 1301 CA ILE A 80 97.894 0.854 -1.923 1.00 0.00 C ATOM 1302 C ILE A 80 97.965 0.438 -0.454 1.00 0.00 C ATOM 1303 O ILE A 80 98.633 -0.511 -0.093 1.00 0.00 O ATOM 1304 CB ILE A 80 99.139 1.671 -2.278 1.00 0.00 C ATOM 1305 CG1 ILE A 80 99.002 2.233 -3.701 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.381 0.780 -2.190 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.300 1.139 -4.729 1.00 0.00 C ATOM 0 H ILE A 80 96.849 2.634 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 80 97.849 -0.029 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 80 99.240 2.498 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.994 2.620 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.688 3.069 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.266 1.364 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.480 0.392 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.283 -0.051 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.200 1.548 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.316 0.772 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.596 0.317 -4.600 1.00 0.00 H new ATOM 1319 N ASN A 81 97.272 1.146 0.396 1.00 0.00 N ATOM 1320 CA ASN A 81 97.286 0.805 1.847 1.00 0.00 C ATOM 1321 C ASN A 81 96.316 -0.348 2.105 1.00 0.00 C ATOM 1322 O ASN A 81 96.501 -1.137 3.008 1.00 0.00 O ATOM 1323 CB ASN A 81 96.854 2.023 2.664 1.00 0.00 C ATOM 1324 CG ASN A 81 96.642 1.611 4.122 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.574 1.587 4.900 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.445 1.283 4.527 1.00 0.00 N ATOM 0 H ASN A 81 96.695 1.949 0.147 1.00 0.00 H new ATOM 0 HA ASN A 81 98.293 0.510 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.613 2.803 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.934 2.440 2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.293 1.007 5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.662 1.303 3.873 1.00 0.00 H new ATOM 1333 N ASN A 82 95.282 -0.453 1.317 1.00 0.00 N ATOM 1334 CA ASN A 82 94.303 -1.557 1.517 1.00 0.00 C ATOM 1335 C ASN A 82 94.914 -2.867 1.018 1.00 0.00 C ATOM 1336 O ASN A 82 94.626 -3.932 1.527 1.00 0.00 O ATOM 1337 CB ASN A 82 93.026 -1.257 0.730 1.00 0.00 C ATOM 1338 CG ASN A 82 91.856 -1.091 1.701 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.667 -1.900 2.587 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.054 -0.069 1.569 1.00 0.00 N ATOM 0 H ASN A 82 95.073 0.178 0.543 1.00 0.00 H new ATOM 0 HA ASN A 82 94.062 -1.645 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.154 -0.350 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.819 -2.066 0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.269 0.050 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.212 0.611 0.825 1.00 0.00 H new ATOM 1347 N TYR A 83 95.760 -2.798 0.024 1.00 0.00 N ATOM 1348 CA TYR A 83 96.391 -4.041 -0.504 1.00 0.00 C ATOM 1349 C TYR A 83 97.521 -4.469 0.433 1.00 0.00 C ATOM 1350 O TYR A 83 97.526 -5.569 0.940 1.00 0.00 O ATOM 1351 CB TYR A 83 96.939 -3.774 -1.909 1.00 0.00 C ATOM 1352 CG TYR A 83 97.926 -4.849 -2.323 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.908 -6.121 -1.728 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.866 -4.563 -3.317 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.829 -7.093 -2.127 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.784 -5.535 -3.715 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.767 -6.800 -3.120 1.00 0.00 C ATOM 1358 OH TYR A 83 100.677 -7.758 -3.511 1.00 0.00 O ATOM 0 H TYR A 83 96.040 -1.936 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 83 95.652 -4.840 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.116 -3.737 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.426 -2.799 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.182 -6.348 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.882 -3.587 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.816 -8.070 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.509 -5.310 -4.484 1.00 0.00 H new ATOM 0 HH TYR A 83 101.006 -8.238 -2.722 1.00 0.00 H new ATOM 1368 N ALA A 84 98.480 -3.617 0.670 1.00 0.00 N ATOM 1369 CA ALA A 84 99.596 -4.003 1.579 1.00 0.00 C ATOM 1370 C ALA A 84 99.030 -4.303 2.967 1.00 0.00 C ATOM 1371 O ALA A 84 99.447 -5.230 3.634 1.00 0.00 O ATOM 1372 CB ALA A 84 100.606 -2.857 1.672 1.00 0.00 C ATOM 0 H ALA A 84 98.540 -2.678 0.277 1.00 0.00 H new ATOM 0 HA ALA A 84 100.097 -4.888 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.420 -3.143 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.006 -2.643 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.112 -1.968 2.064 1.00 0.00 H new ATOM 1378 N GLN A 85 98.075 -3.531 3.402 1.00 0.00 N ATOM 1379 CA GLN A 85 97.471 -3.772 4.742 1.00 0.00 C ATOM 1380 C GLN A 85 96.617 -5.039 4.682 1.00 0.00 C ATOM 1381 O GLN A 85 96.254 -5.606 5.693 1.00 0.00 O ATOM 1382 CB GLN A 85 96.594 -2.582 5.130 1.00 0.00 C ATOM 1383 CG GLN A 85 96.229 -2.678 6.612 1.00 0.00 C ATOM 1384 CD GLN A 85 97.074 -1.685 7.412 1.00 0.00 C ATOM 1385 OE1 GLN A 85 98.373 -1.712 7.297 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 96.546 -0.876 8.149 1.00 0.00 N flip ATOM 0 H GLN A 85 97.685 -2.742 2.887 1.00 0.00 H new ATOM 0 HA GLN A 85 98.259 -3.893 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 85 97.122 -1.649 4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.689 -2.570 4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.169 -2.464 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 85 96.400 -3.692 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 85 95.530 -0.855 8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.119 -0.218 8.678 1.00 0.00 H new ATOM 1395 N LYS A 86 96.308 -5.493 3.499 1.00 0.00 N ATOM 1396 CA LYS A 86 95.493 -6.729 3.360 1.00 0.00 C ATOM 1397 C LYS A 86 96.381 -7.928 3.678 1.00 0.00 C ATOM 1398 O LYS A 86 95.912 -9.012 3.961 1.00 0.00 O ATOM 1399 CB LYS A 86 94.983 -6.840 1.923 1.00 0.00 C ATOM 1400 CG LYS A 86 93.463 -7.017 1.926 1.00 0.00 C ATOM 1401 CD LYS A 86 92.996 -7.381 0.515 1.00 0.00 C ATOM 1402 CE LYS A 86 91.772 -8.294 0.602 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.567 -7.477 0.919 1.00 0.00 N ATOM 0 H LYS A 86 96.587 -5.058 2.620 1.00 0.00 H new ATOM 0 HA LYS A 86 94.643 -6.700 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.253 -5.946 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.456 -7.686 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.177 -7.799 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.979 -6.098 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.750 -6.477 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.798 -7.881 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.630 -8.821 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.924 -9.052 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.734 -8.096 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.705 -6.994 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.420 -6.770 0.171 1.00 0.00 H new ATOM 1417 N LEU A 87 97.668 -7.730 3.634 1.00 0.00 N ATOM 1418 CA LEU A 87 98.610 -8.837 3.933 1.00 0.00 C ATOM 1419 C LEU A 87 99.030 -8.745 5.399 1.00 0.00 C ATOM 1420 O LEU A 87 100.198 -8.712 5.719 1.00 0.00 O ATOM 1421 CB LEU A 87 99.839 -8.703 3.033 1.00 0.00 C ATOM 1422 CG LEU A 87 99.467 -9.121 1.610 1.00 0.00 C ATOM 1423 CD1 LEU A 87 98.735 -7.979 0.921 1.00 0.00 C ATOM 1424 CD2 LEU A 87 100.730 -9.431 0.824 1.00 0.00 C ATOM 0 H LEU A 87 98.109 -6.840 3.401 1.00 0.00 H new ATOM 0 HA LEU A 87 98.132 -9.799 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.200 -7.674 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.650 -9.328 3.408 1.00 0.00 H new ATOM 0 HG LEU A 87 98.829 -10.003 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.470 -8.276 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 87 97.829 -7.739 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 87 99.381 -7.102 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 87 100.464 -9.729 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 101.363 -8.544 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 87 101.271 -10.243 1.310 1.00 0.00 H new ATOM 1436 N CYS A 88 98.082 -8.694 6.295 1.00 0.00 N ATOM 1437 CA CYS A 88 98.427 -8.597 7.741 1.00 0.00 C ATOM 1438 C CYS A 88 97.766 -9.746 8.504 1.00 0.00 C ATOM 1439 O CYS A 88 97.403 -9.611 9.655 1.00 0.00 O ATOM 1440 CB CYS A 88 97.923 -7.262 8.293 1.00 0.00 C ATOM 1441 SG CYS A 88 98.601 -6.999 9.950 1.00 0.00 S ATOM 0 H CYS A 88 97.084 -8.715 6.088 1.00 0.00 H new ATOM 0 HA CYS A 88 99.509 -8.658 7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.222 -6.448 7.633 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.834 -7.260 8.330 1.00 0.00 H new ATOM 0 HG CYS A 88 98.291 -8.007 10.711 1.00 0.00 H new ATOM 1447 N THR A 89 97.607 -10.877 7.873 1.00 0.00 N ATOM 1448 CA THR A 89 96.970 -12.031 8.565 1.00 0.00 C ATOM 1449 C THR A 89 97.997 -13.152 8.740 1.00 0.00 C ATOM 1450 O THR A 89 97.653 -14.284 9.013 1.00 0.00 O ATOM 1451 CB THR A 89 95.792 -12.543 7.732 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.383 -13.811 8.222 1.00 0.00 O ATOM 1453 CG2 THR A 89 96.215 -12.671 6.268 1.00 0.00 C ATOM 0 H THR A 89 97.891 -11.051 6.909 1.00 0.00 H new ATOM 0 HA THR A 89 96.610 -11.712 9.543 1.00 0.00 H new ATOM 0 HB THR A 89 94.962 -11.840 7.806 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.136 -14.437 8.180 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.375 -13.036 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 89 96.527 -11.696 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 89 97.046 -13.373 6.189 1.00 0.00 H new ATOM 1461 N PHE A 90 99.257 -12.845 8.586 1.00 0.00 N ATOM 1462 CA PHE A 90 100.301 -13.895 8.746 1.00 0.00 C ATOM 1463 C PHE A 90 101.596 -13.260 9.261 1.00 0.00 C ATOM 1464 O PHE A 90 102.660 -13.837 9.165 1.00 0.00 O ATOM 1465 CB PHE A 90 100.559 -14.571 7.397 1.00 0.00 C ATOM 1466 CG PHE A 90 101.039 -13.549 6.393 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.196 -12.502 5.996 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.328 -13.652 5.853 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.643 -11.560 5.060 1.00 0.00 C ATOM 1470 CE2 PHE A 90 102.773 -12.708 4.919 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.930 -11.665 4.522 1.00 0.00 C ATOM 0 H PHE A 90 99.607 -11.915 8.357 1.00 0.00 H new ATOM 0 HA PHE A 90 99.957 -14.640 9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.304 -15.359 7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.646 -15.046 7.038 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.202 -12.421 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.978 -14.459 6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 90 99.994 -10.753 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 90 103.768 -12.785 4.505 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.273 -10.940 3.799 1.00 0.00 H new ATOM 1481 N SER A 91 101.510 -12.076 9.806 1.00 0.00 N ATOM 1482 CA SER A 91 102.733 -11.397 10.330 1.00 0.00 C ATOM 1483 C SER A 91 102.451 -9.900 10.484 1.00 0.00 C ATOM 1484 O SER A 91 101.401 -9.418 10.106 1.00 0.00 O ATOM 1485 CB SER A 91 103.890 -11.598 9.351 1.00 0.00 C ATOM 1486 OG SER A 91 104.779 -12.578 9.869 1.00 0.00 O ATOM 0 H SER A 91 100.644 -11.548 9.912 1.00 0.00 H new ATOM 0 HA SER A 91 103.000 -11.822 11.297 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.509 -11.913 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.418 -10.657 9.196 1.00 0.00 H new ATOM 0 HG SER A 91 104.356 -13.461 9.823 1.00 0.00 H new ATOM 1492 N PHE A 92 103.375 -9.156 11.032 1.00 0.00 N ATOM 1493 CA PHE A 92 103.141 -7.693 11.195 1.00 0.00 C ATOM 1494 C PHE A 92 103.318 -7.004 9.842 1.00 0.00 C ATOM 1495 O PHE A 92 103.874 -7.565 8.920 1.00 0.00 O ATOM 1496 CB PHE A 92 104.130 -7.113 12.219 1.00 0.00 C ATOM 1497 CG PHE A 92 105.488 -6.891 11.586 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.686 -5.836 10.684 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.556 -7.735 11.908 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.944 -5.630 10.111 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.810 -7.527 11.334 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.008 -6.474 10.436 1.00 0.00 C ATOM 0 H PHE A 92 104.275 -9.496 11.371 1.00 0.00 H new ATOM 0 HA PHE A 92 102.127 -7.523 11.558 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.746 -6.170 12.609 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.225 -7.793 13.066 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.865 -5.181 10.432 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.409 -8.549 12.602 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.093 -4.817 9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.631 -8.182 11.584 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.981 -6.314 9.995 1.00 0.00 H new ATOM 1512 N LEU A 93 102.855 -5.793 9.716 1.00 0.00 N ATOM 1513 CA LEU A 93 103.003 -5.080 8.417 1.00 0.00 C ATOM 1514 C LEU A 93 103.027 -3.570 8.660 1.00 0.00 C ATOM 1515 O LEU A 93 102.233 -3.037 9.409 1.00 0.00 O ATOM 1516 CB LEU A 93 101.823 -5.433 7.509 1.00 0.00 C ATOM 1517 CG LEU A 93 101.944 -4.671 6.189 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.910 -5.661 5.022 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.775 -3.693 6.063 1.00 0.00 C ATOM 0 H LEU A 93 102.383 -5.268 10.452 1.00 0.00 H new ATOM 0 HA LEU A 93 103.935 -5.383 7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.805 -6.506 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.884 -5.180 8.002 1.00 0.00 H new ATOM 0 HG LEU A 93 102.885 -4.121 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.996 -5.117 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.741 -6.361 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.969 -6.211 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.857 -3.147 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.835 -4.245 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.798 -2.989 6.895 1.00 0.00 H new ATOM 1531 N ILE A 94 103.933 -2.877 8.028 1.00 0.00 N ATOM 1532 CA ILE A 94 104.010 -1.402 8.216 1.00 0.00 C ATOM 1533 C ILE A 94 104.264 -0.738 6.862 1.00 0.00 C ATOM 1534 O ILE A 94 105.351 -0.273 6.582 1.00 0.00 O ATOM 1535 CB ILE A 94 105.156 -1.067 9.174 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.860 -1.669 10.550 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.289 0.452 9.301 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.062 -2.494 11.015 1.00 0.00 C ATOM 0 H ILE A 94 104.624 -3.269 7.389 1.00 0.00 H new ATOM 0 HA ILE A 94 103.073 -1.035 8.635 1.00 0.00 H new ATOM 0 HB ILE A 94 106.087 -1.481 8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.650 -0.876 11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.971 -2.298 10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.105 0.690 9.983 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.498 0.882 8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.359 0.867 9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.852 -2.923 11.995 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.251 -3.296 10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.940 -1.852 11.081 1.00 0.00 H new ATOM 1550 N CYS A 95 103.269 -0.695 6.018 1.00 0.00 N ATOM 1551 CA CYS A 95 103.454 -0.065 4.680 1.00 0.00 C ATOM 1552 C CYS A 95 103.126 1.427 4.771 1.00 0.00 C ATOM 1553 O CYS A 95 102.345 1.852 5.599 1.00 0.00 O ATOM 1554 CB CYS A 95 102.518 -0.732 3.669 1.00 0.00 C ATOM 1555 SG CYS A 95 102.676 0.094 2.066 1.00 0.00 S ATOM 0 H CYS A 95 102.337 -1.069 6.197 1.00 0.00 H new ATOM 0 HA CYS A 95 104.487 -0.192 4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.764 -1.789 3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.487 -0.676 4.019 1.00 0.00 H new ATOM 0 HG CYS A 95 101.883 -0.473 1.206 1.00 0.00 H new ATOM 1561 N LYS A 96 103.717 2.228 3.925 1.00 0.00 N ATOM 1562 CA LYS A 96 103.437 3.691 3.963 1.00 0.00 C ATOM 1563 C LYS A 96 103.792 4.314 2.612 1.00 0.00 C ATOM 1564 O LYS A 96 104.642 3.824 1.895 1.00 0.00 O ATOM 1565 CB LYS A 96 104.280 4.344 5.061 1.00 0.00 C ATOM 1566 CG LYS A 96 103.413 5.318 5.860 1.00 0.00 C ATOM 1567 CD LYS A 96 103.099 4.717 7.230 1.00 0.00 C ATOM 1568 CE LYS A 96 103.746 5.569 8.322 1.00 0.00 C ATOM 1569 NZ LYS A 96 103.402 5.008 9.659 1.00 0.00 N ATOM 0 H LYS A 96 104.381 1.932 3.210 1.00 0.00 H new ATOM 0 HA LYS A 96 102.379 3.852 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.690 3.580 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.126 4.871 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.932 6.269 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.488 5.524 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.020 4.672 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.471 3.694 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.828 5.587 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.399 6.599 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.842 5.587 10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.369 5.013 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.754 4.032 9.727 1.00 0.00 H new ATOM 1583 N GLY A 97 103.148 5.393 2.258 1.00 0.00 N ATOM 1584 CA GLY A 97 103.450 6.046 0.951 1.00 0.00 C ATOM 1585 C GLY A 97 104.817 6.728 1.027 1.00 0.00 C ATOM 1586 O GLY A 97 105.389 6.874 2.089 1.00 0.00 O ATOM 0 H GLY A 97 102.427 5.850 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.445 5.305 0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.679 6.778 0.711 1.00 0.00 H new ATOM 1590 N VAL A 98 105.347 7.145 -0.089 1.00 0.00 N ATOM 1591 CA VAL A 98 106.678 7.813 -0.074 1.00 0.00 C ATOM 1592 C VAL A 98 106.588 9.162 -0.789 1.00 0.00 C ATOM 1593 O VAL A 98 106.072 9.264 -1.885 1.00 0.00 O ATOM 1594 CB VAL A 98 107.699 6.928 -0.788 1.00 0.00 C ATOM 1595 CG1 VAL A 98 108.991 7.715 -1.016 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.996 5.702 0.075 1.00 0.00 C ATOM 0 H VAL A 98 104.917 7.052 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 98 106.989 7.972 0.959 1.00 0.00 H new ATOM 0 HB VAL A 98 107.295 6.611 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.718 7.082 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.780 8.591 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.397 8.034 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.724 5.068 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.400 6.022 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.076 5.140 0.237 1.00 0.00 H new ATOM 1606 N ASN A 99 107.092 10.200 -0.179 1.00 0.00 N ATOM 1607 CA ASN A 99 107.042 11.540 -0.825 1.00 0.00 C ATOM 1608 C ASN A 99 108.248 11.696 -1.754 1.00 0.00 C ATOM 1609 O ASN A 99 108.111 12.022 -2.916 1.00 0.00 O ATOM 1610 CB ASN A 99 107.082 12.627 0.252 1.00 0.00 C ATOM 1611 CG ASN A 99 105.715 13.306 0.339 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.829 13.016 -0.440 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.504 14.203 1.261 1.00 0.00 N ATOM 0 H ASN A 99 107.536 10.177 0.739 1.00 0.00 H new ATOM 0 HA ASN A 99 106.122 11.636 -1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.345 12.190 1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.851 13.362 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.595 14.661 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.248 14.447 1.915 1.00 0.00 H new ATOM 1620 N LYS A 100 109.428 11.457 -1.251 1.00 0.00 N ATOM 1621 CA LYS A 100 110.642 11.584 -2.105 1.00 0.00 C ATOM 1622 C LYS A 100 111.118 10.190 -2.515 1.00 0.00 C ATOM 1623 O LYS A 100 111.860 9.542 -1.803 1.00 0.00 O ATOM 1624 CB LYS A 100 111.748 12.291 -1.319 1.00 0.00 C ATOM 1625 CG LYS A 100 112.307 13.448 -2.150 1.00 0.00 C ATOM 1626 CD LYS A 100 113.483 14.086 -1.408 1.00 0.00 C ATOM 1627 CE LYS A 100 114.514 14.588 -2.419 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.866 15.552 -3.352 1.00 0.00 N ATOM 0 H LYS A 100 109.604 11.179 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 100 110.404 12.166 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.354 12.665 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.543 11.586 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 100 112.632 13.086 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.529 14.191 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.131 14.913 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.940 13.359 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 100 115.343 15.069 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 100 114.930 13.749 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.598 16.069 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 113.258 15.035 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.289 16.226 -2.809 1.00 0.00 H new ATOM 1642 N GLU A 101 110.696 9.722 -3.657 1.00 0.00 N ATOM 1643 CA GLU A 101 111.120 8.369 -4.109 1.00 0.00 C ATOM 1644 C GLU A 101 112.647 8.289 -4.124 1.00 0.00 C ATOM 1645 O GLU A 101 113.247 7.602 -3.323 1.00 0.00 O ATOM 1646 CB GLU A 101 110.587 8.110 -5.521 1.00 0.00 C ATOM 1647 CG GLU A 101 109.176 8.687 -5.657 1.00 0.00 C ATOM 1648 CD GLU A 101 109.240 10.033 -6.380 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.262 10.691 -6.274 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.269 10.381 -7.029 1.00 0.00 O ATOM 0 H GLU A 101 110.076 10.219 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 101 110.722 7.620 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.248 8.565 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.573 7.039 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.541 7.995 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 101 108.727 8.813 -4.672 1.00 0.00 H new ATOM 1657 N TYR A 102 113.273 8.973 -5.044 1.00 0.00 N ATOM 1658 CA TYR A 102 114.763 8.935 -5.141 1.00 0.00 C ATOM 1659 C TYR A 102 115.401 8.882 -3.747 1.00 0.00 C ATOM 1660 O TYR A 102 115.905 7.861 -3.329 1.00 0.00 O ATOM 1661 CB TYR A 102 115.273 10.179 -5.879 1.00 0.00 C ATOM 1662 CG TYR A 102 116.666 9.910 -6.405 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.701 9.580 -5.521 1.00 0.00 C ATOM 1664 CD2 TYR A 102 116.918 9.978 -7.779 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.985 9.315 -6.013 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.200 9.714 -8.273 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.234 9.380 -7.389 1.00 0.00 C ATOM 1668 OH TYR A 102 120.500 9.120 -7.874 1.00 0.00 O ATOM 0 H TYR A 102 112.813 9.561 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 102 115.042 8.037 -5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.603 10.429 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.285 11.036 -5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.509 9.530 -4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.121 10.235 -8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.783 9.061 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.392 9.768 -9.334 1.00 0.00 H new ATOM 0 HH TYR A 102 120.501 9.207 -8.850 1.00 0.00 H new ATOM 1678 N LEU A 103 115.407 9.977 -3.036 1.00 0.00 N ATOM 1679 CA LEU A 103 116.035 9.996 -1.682 1.00 0.00 C ATOM 1680 C LEU A 103 115.723 8.708 -0.914 1.00 0.00 C ATOM 1681 O LEU A 103 116.607 7.934 -0.605 1.00 0.00 O ATOM 1682 CB LEU A 103 115.509 11.194 -0.899 1.00 0.00 C ATOM 1683 CG LEU A 103 116.669 12.140 -0.588 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.563 11.525 0.488 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.498 12.375 -1.852 1.00 0.00 C ATOM 0 H LEU A 103 115.002 10.864 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 103 117.116 10.072 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.745 11.714 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.038 10.861 0.026 1.00 0.00 H new ATOM 0 HG LEU A 103 116.267 13.088 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.388 12.203 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.980 11.359 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.959 10.574 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.324 13.050 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.894 11.424 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.868 12.818 -2.623 1.00 0.00 H new ATOM 1697 N MET A 104 114.479 8.483 -0.587 1.00 0.00 N ATOM 1698 CA MET A 104 114.110 7.254 0.178 1.00 0.00 C ATOM 1699 C MET A 104 114.914 6.048 -0.319 1.00 0.00 C ATOM 1700 O MET A 104 115.377 5.237 0.458 1.00 0.00 O ATOM 1701 CB MET A 104 112.616 6.977 -0.001 1.00 0.00 C ATOM 1702 CG MET A 104 112.228 5.737 0.805 1.00 0.00 C ATOM 1703 SD MET A 104 112.724 5.958 2.532 1.00 0.00 S ATOM 1704 CE MET A 104 111.900 4.491 3.197 1.00 0.00 C ATOM 0 H MET A 104 113.699 9.099 -0.817 1.00 0.00 H new ATOM 0 HA MET A 104 114.336 7.415 1.232 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.033 7.837 0.331 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.387 6.825 -1.056 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.152 5.572 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 104 112.711 4.853 0.387 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.624 4.669 4.236 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.003 4.282 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.576 3.638 3.142 1.00 0.00 H new ATOM 1714 N TYR A 105 115.076 5.914 -1.607 1.00 0.00 N ATOM 1715 CA TYR A 105 115.842 4.752 -2.146 1.00 0.00 C ATOM 1716 C TYR A 105 117.327 4.889 -1.794 1.00 0.00 C ATOM 1717 O TYR A 105 117.910 4.016 -1.186 1.00 0.00 O ATOM 1718 CB TYR A 105 115.679 4.702 -3.668 1.00 0.00 C ATOM 1719 CG TYR A 105 116.671 3.725 -4.255 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.326 2.375 -4.393 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.935 4.169 -4.662 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.246 1.471 -4.934 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.854 3.265 -5.203 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.510 1.915 -5.339 1.00 0.00 C ATOM 1725 OH TYR A 105 119.417 1.021 -5.874 1.00 0.00 O ATOM 0 H TYR A 105 114.712 6.558 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 105 115.458 3.833 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.663 4.402 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.836 5.693 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.350 2.032 -4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.200 5.211 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 105 116.981 0.429 -5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.829 3.608 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 105 120.245 1.493 -6.104 1.00 0.00 H new ATOM 1735 N SER A 106 117.946 5.971 -2.181 1.00 0.00 N ATOM 1736 CA SER A 106 119.394 6.154 -1.874 1.00 0.00 C ATOM 1737 C SER A 106 119.671 5.749 -0.424 1.00 0.00 C ATOM 1738 O SER A 106 120.454 4.859 -0.156 1.00 0.00 O ATOM 1739 CB SER A 106 119.776 7.620 -2.075 1.00 0.00 C ATOM 1740 OG SER A 106 121.027 7.870 -1.446 1.00 0.00 O ATOM 0 H SER A 106 117.512 6.737 -2.697 1.00 0.00 H new ATOM 0 HA SER A 106 119.985 5.528 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.839 7.849 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.008 8.269 -1.654 1.00 0.00 H new ATOM 0 HG SER A 106 121.276 8.809 -1.574 1.00 0.00 H new ATOM 1746 N ALA A 107 119.038 6.399 0.513 1.00 0.00 N ATOM 1747 CA ALA A 107 119.270 6.055 1.944 1.00 0.00 C ATOM 1748 C ALA A 107 118.994 4.564 2.163 1.00 0.00 C ATOM 1749 O ALA A 107 119.626 3.919 2.976 1.00 0.00 O ATOM 1750 CB ALA A 107 118.333 6.886 2.824 1.00 0.00 C ATOM 0 H ALA A 107 118.371 7.153 0.350 1.00 0.00 H new ATOM 0 HA ALA A 107 120.305 6.273 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.501 6.636 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.532 7.946 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.298 6.668 2.560 1.00 0.00 H new ATOM 1756 N LEU A 108 118.050 4.015 1.448 1.00 0.00 N ATOM 1757 CA LEU A 108 117.728 2.569 1.618 1.00 0.00 C ATOM 1758 C LEU A 108 118.920 1.712 1.179 1.00 0.00 C ATOM 1759 O LEU A 108 119.162 0.649 1.716 1.00 0.00 O ATOM 1760 CB LEU A 108 116.506 2.220 0.764 1.00 0.00 C ATOM 1761 CG LEU A 108 115.229 2.425 1.582 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.020 1.953 0.771 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.316 1.618 2.880 1.00 0.00 C ATOM 0 H LEU A 108 117.487 4.506 0.753 1.00 0.00 H new ATOM 0 HA LEU A 108 117.514 2.369 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.483 2.847 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.570 1.186 0.425 1.00 0.00 H new ATOM 0 HG LEU A 108 115.118 3.483 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.111 2.099 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 108 113.955 2.528 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.132 0.895 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.406 1.765 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.429 0.560 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.175 1.954 3.460 1.00 0.00 H new ATOM 1775 N THR A 109 119.667 2.162 0.207 1.00 0.00 N ATOM 1776 CA THR A 109 120.838 1.368 -0.259 1.00 0.00 C ATOM 1777 C THR A 109 122.032 1.627 0.662 1.00 0.00 C ATOM 1778 O THR A 109 122.979 0.867 0.696 1.00 0.00 O ATOM 1779 CB THR A 109 121.199 1.779 -1.689 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.979 2.965 -1.656 1.00 0.00 O ATOM 1781 CG2 THR A 109 119.920 2.030 -2.490 1.00 0.00 C ATOM 0 H THR A 109 119.517 3.044 -0.283 1.00 0.00 H new ATOM 0 HA THR A 109 120.587 0.308 -0.238 1.00 0.00 H new ATOM 0 HB THR A 109 121.770 0.980 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.502 3.657 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.179 2.322 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.322 1.119 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.346 2.828 -2.018 1.00 0.00 H new ATOM 1789 N ARG A 110 121.994 2.696 1.410 1.00 0.00 N ATOM 1790 CA ARG A 110 123.128 3.001 2.327 1.00 0.00 C ATOM 1791 C ARG A 110 122.821 2.452 3.722 1.00 0.00 C ATOM 1792 O ARG A 110 121.696 2.487 4.180 1.00 0.00 O ATOM 1793 CB ARG A 110 123.326 4.517 2.407 1.00 0.00 C ATOM 1794 CG ARG A 110 123.986 5.014 1.119 1.00 0.00 C ATOM 1795 CD ARG A 110 125.024 6.085 1.457 1.00 0.00 C ATOM 1796 NE ARG A 110 124.693 7.345 0.734 1.00 0.00 N ATOM 1797 CZ ARG A 110 125.126 8.489 1.186 1.00 0.00 C ATOM 1798 NH1 ARG A 110 124.967 8.797 2.445 1.00 0.00 N ATOM 1799 NH2 ARG A 110 125.722 9.326 0.381 1.00 0.00 N ATOM 0 H ARG A 110 121.228 3.370 1.426 1.00 0.00 H new ATOM 0 HA ARG A 110 124.037 2.535 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.366 5.013 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.947 4.769 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.462 4.183 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 110 123.232 5.423 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.040 6.264 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.020 5.743 1.176 1.00 0.00 H new ATOM 0 HE ARG A 110 124.128 7.313 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.504 8.143 3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 110 125.306 9.692 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 110 125.849 9.085 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 110 126.061 10.221 0.735 1.00 0.00 H new ATOM 1813 N ASP A 111 123.813 1.944 4.402 1.00 0.00 N ATOM 1814 CA ASP A 111 123.577 1.394 5.766 1.00 0.00 C ATOM 1815 C ASP A 111 122.749 2.391 6.582 1.00 0.00 C ATOM 1816 O ASP A 111 122.714 3.565 6.270 1.00 0.00 O ATOM 1817 CB ASP A 111 124.921 1.161 6.460 1.00 0.00 C ATOM 1818 CG ASP A 111 125.799 2.404 6.302 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.488 3.409 6.922 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.768 2.331 5.564 1.00 0.00 O ATOM 0 H ASP A 111 124.776 1.886 4.071 1.00 0.00 H new ATOM 0 HA ASP A 111 123.038 0.450 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 111 124.764 0.946 7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.420 0.293 6.028 1.00 0.00 H new ATOM 1825 N PRO A 112 122.110 1.893 7.609 1.00 0.00 N ATOM 1826 CA PRO A 112 122.159 0.465 7.978 1.00 0.00 C ATOM 1827 C PRO A 112 121.209 -0.351 7.095 1.00 0.00 C ATOM 1828 O PRO A 112 120.972 -1.518 7.338 1.00 0.00 O ATOM 1829 CB PRO A 112 121.685 0.457 9.432 1.00 0.00 C ATOM 1830 CG PRO A 112 120.863 1.753 9.631 1.00 0.00 C ATOM 1831 CD PRO A 112 121.278 2.718 8.505 1.00 0.00 C ATOM 0 HA PRO A 112 123.147 0.024 7.850 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.077 -0.424 9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.533 0.426 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 112 119.794 1.544 9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.062 2.191 10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.409 3.119 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 112 121.836 3.569 8.895 1.00 0.00 H new ATOM 1839 N PHE A 113 120.661 0.250 6.075 1.00 0.00 N ATOM 1840 CA PHE A 113 119.726 -0.498 5.188 1.00 0.00 C ATOM 1841 C PHE A 113 120.518 -1.222 4.098 1.00 0.00 C ATOM 1842 O PHE A 113 121.050 -0.611 3.193 1.00 0.00 O ATOM 1843 CB PHE A 113 118.746 0.479 4.537 1.00 0.00 C ATOM 1844 CG PHE A 113 117.972 1.204 5.610 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.278 0.478 6.585 1.00 0.00 C ATOM 1846 CD2 PHE A 113 117.951 2.603 5.635 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.565 1.149 7.583 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.238 3.275 6.631 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.544 2.548 7.607 1.00 0.00 C ATOM 0 H PHE A 113 120.820 1.224 5.818 1.00 0.00 H new ATOM 0 HA PHE A 113 119.175 -1.227 5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.287 1.194 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.062 -0.059 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.293 -0.602 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.487 3.164 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.031 0.588 8.335 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.222 4.355 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 113 115.993 3.067 8.377 1.00 0.00 H new ATOM 1859 N SER A 114 120.597 -2.523 4.176 1.00 0.00 N ATOM 1860 CA SER A 114 121.349 -3.286 3.140 1.00 0.00 C ATOM 1861 C SER A 114 120.394 -3.662 2.005 1.00 0.00 C ATOM 1862 O SER A 114 119.191 -3.571 2.140 1.00 0.00 O ATOM 1863 CB SER A 114 121.934 -4.555 3.763 1.00 0.00 C ATOM 1864 OG SER A 114 122.675 -4.208 4.927 1.00 0.00 O ATOM 0 H SER A 114 120.174 -3.089 4.911 1.00 0.00 H new ATOM 0 HA SER A 114 122.161 -2.673 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.134 -5.250 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.578 -5.063 3.045 1.00 0.00 H new ATOM 0 HG SER A 114 123.050 -5.019 5.330 1.00 0.00 H new ATOM 1870 N VAL A 115 120.916 -4.082 0.886 1.00 0.00 N ATOM 1871 CA VAL A 115 120.028 -4.457 -0.249 1.00 0.00 C ATOM 1872 C VAL A 115 120.020 -5.978 -0.413 1.00 0.00 C ATOM 1873 O VAL A 115 121.048 -6.596 -0.609 1.00 0.00 O ATOM 1874 CB VAL A 115 120.541 -3.808 -1.533 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.448 -3.859 -2.602 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.913 -2.349 -1.254 1.00 0.00 C ATOM 0 H VAL A 115 121.916 -4.181 0.709 1.00 0.00 H new ATOM 0 HA VAL A 115 119.015 -4.110 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 115 121.420 -4.347 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 115 119.814 -3.396 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.182 -4.897 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.569 -3.320 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.279 -1.885 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.034 -1.810 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.691 -2.311 -0.492 1.00 0.00 H new ATOM 1886 N ILE A 116 118.868 -6.587 -0.338 1.00 0.00 N ATOM 1887 CA ILE A 116 118.796 -8.068 -0.491 1.00 0.00 C ATOM 1888 C ILE A 116 118.550 -8.420 -1.960 1.00 0.00 C ATOM 1889 O ILE A 116 119.313 -9.143 -2.568 1.00 0.00 O ATOM 1890 CB ILE A 116 117.651 -8.617 0.360 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.976 -8.421 1.842 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.475 -10.110 0.073 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.886 -9.072 2.696 1.00 0.00 C ATOM 0 H ILE A 116 117.974 -6.123 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 116 119.737 -8.510 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 116 116.731 -8.086 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.946 -8.862 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.046 -7.358 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.659 -10.503 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.245 -10.253 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.396 -10.639 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 116 117.119 -8.932 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.924 -8.611 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.838 -10.138 2.474 1.00 0.00 H new ATOM 1905 N GLU A 117 117.491 -7.918 -2.535 1.00 0.00 N ATOM 1906 CA GLU A 117 117.208 -8.237 -3.964 1.00 0.00 C ATOM 1907 C GLU A 117 116.390 -7.110 -4.598 1.00 0.00 C ATOM 1908 O GLU A 117 115.848 -6.260 -3.918 1.00 0.00 O ATOM 1909 CB GLU A 117 116.421 -9.546 -4.048 1.00 0.00 C ATOM 1910 CG GLU A 117 117.283 -10.617 -4.722 1.00 0.00 C ATOM 1911 CD GLU A 117 116.725 -10.919 -6.115 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.681 -10.007 -6.924 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.352 -12.057 -6.348 1.00 0.00 O ATOM 0 H GLU A 117 116.814 -7.305 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 117 118.151 -8.341 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.131 -9.873 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.502 -9.395 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.315 -10.274 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.293 -11.524 -4.118 1.00 0.00 H new ATOM 1920 N GLU A 118 116.295 -7.098 -5.900 1.00 0.00 N ATOM 1921 CA GLU A 118 115.512 -6.031 -6.590 1.00 0.00 C ATOM 1922 C GLU A 118 115.102 -6.528 -7.978 1.00 0.00 C ATOM 1923 O GLU A 118 115.326 -7.669 -8.330 1.00 0.00 O ATOM 1924 CB GLU A 118 116.357 -4.754 -6.743 1.00 0.00 C ATOM 1925 CG GLU A 118 117.789 -4.994 -6.249 1.00 0.00 C ATOM 1926 CD GLU A 118 118.451 -6.074 -7.107 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.971 -6.309 -8.203 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.426 -6.648 -6.651 1.00 0.00 O ATOM 0 H GLU A 118 116.728 -7.784 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 118 114.629 -5.801 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.374 -4.445 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.903 -3.940 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.363 -4.069 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.777 -5.302 -5.203 1.00 0.00 H new ATOM 1935 N SER A 119 114.505 -5.680 -8.769 1.00 0.00 N ATOM 1936 CA SER A 119 114.085 -6.105 -10.134 1.00 0.00 C ATOM 1937 C SER A 119 114.882 -5.321 -11.181 1.00 0.00 C ATOM 1938 O SER A 119 114.645 -5.437 -12.367 1.00 0.00 O ATOM 1939 CB SER A 119 112.593 -5.826 -10.317 1.00 0.00 C ATOM 1940 OG SER A 119 112.300 -5.725 -11.704 1.00 0.00 O ATOM 0 H SER A 119 114.290 -4.712 -8.530 1.00 0.00 H new ATOM 0 HA SER A 119 114.274 -7.171 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.004 -6.625 -9.867 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.319 -4.902 -9.808 1.00 0.00 H new ATOM 0 HG SER A 119 113.080 -6.009 -12.225 1.00 0.00 H new ATOM 1946 N LEU A 120 115.824 -4.523 -10.753 1.00 0.00 N ATOM 1947 CA LEU A 120 116.629 -3.734 -11.729 1.00 0.00 C ATOM 1948 C LEU A 120 118.120 -3.869 -11.397 1.00 0.00 C ATOM 1949 O LEU A 120 118.489 -3.960 -10.243 1.00 0.00 O ATOM 1950 CB LEU A 120 116.229 -2.261 -11.647 1.00 0.00 C ATOM 1951 CG LEU A 120 115.007 -2.014 -12.533 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.165 -0.885 -11.937 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.471 -1.618 -13.937 1.00 0.00 C ATOM 0 H LEU A 120 116.070 -4.384 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 120 116.443 -4.111 -12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.004 -1.991 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.058 -1.630 -11.968 1.00 0.00 H new ATOM 0 HG LEU A 120 114.407 -2.922 -12.589 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.294 -0.709 -12.568 1.00 0.00 H new ATOM 0 HD12 LEU A 120 113.837 -1.165 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 120 114.763 0.025 -11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.602 -1.441 -14.571 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.069 -0.709 -13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 120 116.072 -2.422 -14.362 1.00 0.00 H new ATOM 1965 N PRO A 121 118.931 -3.870 -12.424 1.00 0.00 N ATOM 1966 CA PRO A 121 120.393 -3.986 -12.283 1.00 0.00 C ATOM 1967 C PRO A 121 120.996 -2.638 -11.878 1.00 0.00 C ATOM 1968 O PRO A 121 121.943 -2.572 -11.120 1.00 0.00 O ATOM 1969 CB PRO A 121 120.858 -4.390 -13.685 1.00 0.00 C ATOM 1970 CG PRO A 121 119.747 -3.934 -14.661 1.00 0.00 C ATOM 1971 CD PRO A 121 118.466 -3.761 -13.823 1.00 0.00 C ATOM 0 HA PRO A 121 120.696 -4.700 -11.517 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.809 -3.917 -13.930 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.012 -5.467 -13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.020 -2.998 -15.148 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.597 -4.672 -15.449 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.994 -2.797 -14.012 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.729 -4.529 -14.059 1.00 0.00 H new ATOM 1979 N GLY A 122 120.452 -1.564 -12.380 1.00 0.00 N ATOM 1980 CA GLY A 122 120.990 -0.219 -12.029 1.00 0.00 C ATOM 1981 C GLY A 122 120.206 0.356 -10.847 1.00 0.00 C ATOM 1982 O GLY A 122 120.699 1.183 -10.107 1.00 0.00 O ATOM 0 H GLY A 122 119.657 -1.559 -13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.047 -0.294 -11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 122 120.915 0.449 -12.887 1.00 0.00 H new ATOM 1986 N GLY A 123 118.990 -0.080 -10.660 1.00 0.00 N ATOM 1987 CA GLY A 123 118.180 0.439 -9.520 1.00 0.00 C ATOM 1988 C GLY A 123 117.407 1.690 -9.950 1.00 0.00 C ATOM 1989 O GLY A 123 117.470 2.117 -11.086 1.00 0.00 O ATOM 0 H GLY A 123 118.523 -0.772 -11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.485 -0.328 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.832 0.676 -8.679 1.00 0.00 H new ATOM 1993 N LEU A 124 116.676 2.276 -9.041 1.00 0.00 N ATOM 1994 CA LEU A 124 115.888 3.499 -9.368 1.00 0.00 C ATOM 1995 C LEU A 124 116.755 4.502 -10.137 1.00 0.00 C ATOM 1996 O LEU A 124 117.955 4.352 -10.232 1.00 0.00 O ATOM 1997 CB LEU A 124 115.415 4.148 -8.071 1.00 0.00 C ATOM 1998 CG LEU A 124 113.888 4.052 -7.921 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.317 2.809 -8.564 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.527 4.043 -6.435 1.00 0.00 C ATOM 0 H LEU A 124 116.590 1.956 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 124 115.035 3.217 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.897 3.662 -7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.719 5.195 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 124 113.460 4.917 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.236 2.793 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 124 113.549 2.811 -9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.754 1.925 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.445 3.975 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.996 3.186 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.883 4.962 -5.969 1.00 0.00 H new