USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 766 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 69 CYS SG : rot -129:sc= 0.204 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.557! C(o=-0.35!,f=-12!) USER MOD Set 2.1: A 53 MET CE :methyl 153:sc= -0.53 (180deg=-2.47!) USER MOD Set 2.2: A 57 MET CE :methyl 158:sc= -0.376 (180deg=-1.02) USER MOD Set 3.1: A 7 MET CE :methyl -117:sc= -1.93 (180deg=-6.18!) USER MOD Set 3.2: A 41 SER OG : rot -81:sc= -1.87 USER MOD Set 4.1: A 17 GLN :FLIP amide:sc= -4.8! C(o=-9.8!,f=-7.4!) USER MOD Set 4.2: A 74 GLN :FLIP amide:sc= -2.6 F(o=-11!,f=-7.4) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= -0.128 (180deg=-0.808) USER MOD Single : A 5 SER OG : rot -7:sc= -0.0934 USER MOD Single : A 6 ASN : amide:sc=-0.00573 K(o=-0.0057,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 48:sc= 1.07 USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= -0.0393 (180deg=-0.541) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.293 F(o=-1.3,f=-0.29) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= -2.09! (180deg=-4.57!) USER MOD Single : A 25 MET CE :methyl -140:sc= -0.262 (180deg=-1.69!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 36 SER OG : rot 170:sc= 0.278 USER MOD Single : A 38 ASN : amide:sc= 0.196 K(o=0.2,f=-0.46) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 137:sc= -0.751 USER MOD Single : A 45 SER OG : rot 64:sc= 0.615 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0548 (180deg=-0.428) USER MOD Single : A 54 SER OG : rot -100:sc= -0.305 USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= 1.08 (180deg=-0.233) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.0957 (180deg=-0.657) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc=-0.00691 (180deg=-0.204) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.112 F(o=-1.2!,f=-0.11) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00434 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0814 USER MOD Single : A 91 SER OG : rot 102:sc= -0.205 USER MOD Single : A 93 SER OG : rot 117:sc= 0.485! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 12.084 11.292 0.096 1.00 1.00 N ATOM 21 CA LYS A 2 12.397 9.952 -0.383 1.00 1.00 C ATOM 22 C LYS A 2 11.575 8.904 0.365 1.00 1.00 C ATOM 23 O LYS A 2 12.128 8.050 1.059 1.00 1.00 O ATOM 24 CB LYS A 2 13.887 9.674 -0.161 1.00 1.00 C ATOM 25 CG LYS A 2 14.711 10.850 -0.690 1.00 1.00 C ATOM 26 CD LYS A 2 16.186 10.450 -0.766 1.00 1.00 C ATOM 27 CE LYS A 2 17.002 11.635 -1.284 1.00 1.00 C ATOM 28 NZ LYS A 2 16.493 12.042 -2.624 1.00 1.00 N ATOM 0 HA LYS A 2 12.155 9.895 -1.444 1.00 1.00 H new ATOM 0 HB2 LYS A 2 14.086 9.525 0.900 1.00 1.00 H new ATOM 0 HB3 LYS A 2 14.176 8.755 -0.671 1.00 1.00 H new ATOM 0 HG2 LYS A 2 14.352 11.144 -1.676 1.00 1.00 H new ATOM 0 HG3 LYS A 2 14.591 11.714 -0.037 1.00 1.00 H new ATOM 0 HD2 LYS A 2 16.545 10.149 0.218 1.00 1.00 H new ATOM 0 HD3 LYS A 2 16.309 9.592 -1.427 1.00 1.00 H new ATOM 0 HE2 LYS A 2 16.932 12.471 -0.588 1.00 1.00 H new ATOM 0 HE3 LYS A 2 18.055 11.363 -1.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 17.235 12.564 -3.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 16.230 11.195 -3.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 15.658 12.651 -2.508 1.00 1.00 H new ATOM 42 N PRO A 3 10.277 8.959 0.245 1.00 1.00 N ATOM 43 CA PRO A 3 9.368 8.000 0.938 1.00 1.00 C ATOM 44 C PRO A 3 9.303 6.638 0.241 1.00 1.00 C ATOM 45 O PRO A 3 9.458 5.597 0.879 1.00 1.00 O ATOM 46 CB PRO A 3 8.013 8.711 0.880 1.00 1.00 C ATOM 47 CG PRO A 3 8.061 9.511 -0.383 1.00 1.00 C ATOM 48 CD PRO A 3 9.524 9.936 -0.566 1.00 1.00 C ATOM 0 HA PRO A 3 9.704 7.770 1.949 1.00 1.00 H new ATOM 0 HB2 PRO A 3 7.190 7.996 0.865 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.864 9.351 1.749 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.719 8.919 -1.232 1.00 1.00 H new ATOM 0 HG3 PRO A 3 7.408 10.381 -0.317 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.823 9.901 -1.614 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.691 10.956 -0.220 1.00 1.00 H new ATOM 56 N LEU A 4 9.042 6.656 -1.069 1.00 1.00 N ATOM 57 CA LEU A 4 8.923 5.417 -1.848 1.00 1.00 C ATOM 58 C LEU A 4 10.157 5.155 -2.712 1.00 1.00 C ATOM 59 O LEU A 4 10.185 4.190 -3.476 1.00 1.00 O ATOM 60 CB LEU A 4 7.681 5.490 -2.749 1.00 1.00 C ATOM 61 CG LEU A 4 6.410 5.704 -1.903 1.00 1.00 C ATOM 62 CD1 LEU A 4 5.165 5.702 -2.818 1.00 1.00 C ATOM 63 CD2 LEU A 4 6.280 4.600 -0.839 1.00 1.00 C ATOM 0 H LEU A 4 8.909 7.509 -1.612 1.00 1.00 H new ATOM 0 HA LEU A 4 8.832 4.595 -1.138 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.791 6.306 -3.464 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.589 4.570 -3.327 1.00 1.00 H new ATOM 0 HG LEU A 4 6.484 6.667 -1.398 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.270 5.854 -2.215 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.250 6.505 -3.550 1.00 1.00 H new ATOM 0 HD13 LEU A 4 5.096 4.745 -3.336 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.378 4.766 -0.251 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.220 3.628 -1.329 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.150 4.623 -0.183 1.00 1.00 H new ATOM 75 N SER A 5 11.167 6.007 -2.604 1.00 1.00 N ATOM 76 CA SER A 5 12.375 5.831 -3.405 1.00 1.00 C ATOM 77 C SER A 5 13.193 4.629 -2.937 1.00 1.00 C ATOM 78 O SER A 5 14.072 4.152 -3.655 1.00 1.00 O ATOM 79 CB SER A 5 13.253 7.076 -3.313 1.00 1.00 C ATOM 80 OG SER A 5 12.560 8.195 -3.850 1.00 1.00 O ATOM 0 H SER A 5 11.178 6.815 -1.981 1.00 1.00 H new ATOM 0 HA SER A 5 12.056 5.663 -4.434 1.00 1.00 H new ATOM 0 HB2 SER A 5 13.521 7.267 -2.274 1.00 1.00 H new ATOM 0 HB3 SER A 5 14.183 6.917 -3.858 1.00 1.00 H new ATOM 0 HG SER A 5 11.723 7.895 -4.261 1.00 1.00 H new ATOM 86 N ASN A 6 12.925 4.154 -1.721 1.00 1.00 N ATOM 87 CA ASN A 6 13.675 3.016 -1.169 1.00 1.00 C ATOM 88 C ASN A 6 12.852 1.735 -1.195 1.00 1.00 C ATOM 89 O ASN A 6 13.292 0.708 -0.673 1.00 1.00 O ATOM 90 CB ASN A 6 14.050 3.305 0.286 1.00 1.00 C ATOM 91 CG ASN A 6 15.088 4.418 0.369 1.00 1.00 C ATOM 92 OD1 ASN A 6 15.748 4.737 -0.622 1.00 1.00 O ATOM 93 ND2 ASN A 6 15.281 5.024 1.509 1.00 1.00 N ATOM 0 H ASN A 6 12.206 4.530 -1.103 1.00 1.00 H new ATOM 0 HA ASN A 6 14.564 2.882 -1.785 1.00 1.00 H new ATOM 0 HB2 ASN A 6 13.159 3.590 0.846 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.442 2.401 0.751 1.00 1.00 H new ATOM 0 HD21 ASN A 6 15.980 5.764 1.581 1.00 1.00 H new ATOM 0 HD22 ASN A 6 14.733 4.758 2.327 1.00 1.00 H new ATOM 100 N MET A 7 11.652 1.783 -1.760 1.00 1.00 N ATOM 101 CA MET A 7 10.803 0.589 -1.768 1.00 1.00 C ATOM 102 C MET A 7 9.921 0.511 -3.009 1.00 1.00 C ATOM 103 O MET A 7 9.742 1.488 -3.737 1.00 1.00 O ATOM 104 CB MET A 7 9.908 0.609 -0.525 1.00 1.00 C ATOM 105 CG MET A 7 9.264 1.989 -0.388 1.00 1.00 C ATOM 106 SD MET A 7 8.170 2.036 1.063 1.00 1.00 S ATOM 107 CE MET A 7 6.669 1.346 0.312 1.00 1.00 C ATOM 0 H MET A 7 11.250 2.607 -2.207 1.00 1.00 H new ATOM 0 HA MET A 7 11.457 -0.283 -1.771 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.138 -0.158 -0.605 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.495 0.379 0.364 1.00 1.00 H new ATOM 0 HG2 MET A 7 10.038 2.751 -0.293 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.695 2.223 -1.288 1.00 1.00 H new ATOM 0 HE1 MET A 7 5.874 2.091 0.337 1.00 1.00 H new ATOM 0 HE2 MET A 7 6.874 1.069 -0.722 1.00 1.00 H new ATOM 0 HE3 MET A 7 6.356 0.463 0.869 1.00 1.00 H new ATOM 117 N LYS A 8 9.346 -0.672 -3.212 1.00 1.00 N ATOM 118 CA LYS A 8 8.439 -0.930 -4.329 1.00 1.00 C ATOM 119 C LYS A 8 7.006 -0.888 -3.810 1.00 1.00 C ATOM 120 O LYS A 8 6.782 -0.755 -2.614 1.00 1.00 O ATOM 121 CB LYS A 8 8.710 -2.317 -4.933 1.00 1.00 C ATOM 122 CG LYS A 8 9.948 -2.298 -5.837 1.00 1.00 C ATOM 123 CD LYS A 8 11.214 -2.267 -4.984 1.00 1.00 C ATOM 124 CE LYS A 8 12.445 -2.395 -5.882 1.00 1.00 C ATOM 125 NZ LYS A 8 13.672 -2.348 -5.038 1.00 1.00 N ATOM 0 H LYS A 8 9.495 -1.479 -2.607 1.00 1.00 H new ATOM 0 HA LYS A 8 8.594 -0.174 -5.099 1.00 1.00 H new ATOM 0 HB2 LYS A 8 8.852 -3.043 -4.133 1.00 1.00 H new ATOM 0 HB3 LYS A 8 7.842 -2.642 -5.507 1.00 1.00 H new ATOM 0 HG2 LYS A 8 9.953 -3.179 -6.479 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.918 -1.426 -6.491 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.260 -1.336 -4.418 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.195 -3.080 -4.259 1.00 1.00 H new ATOM 0 HE2 LYS A 8 12.408 -3.331 -6.440 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.461 -1.588 -6.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 14.513 -2.435 -5.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.706 -1.444 -4.525 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 13.654 -3.133 -4.356 1.00 1.00 H new ATOM 139 N ILE A 9 6.046 -1.011 -4.719 1.00 1.00 N ATOM 140 CA ILE A 9 4.622 -0.990 -4.353 1.00 1.00 C ATOM 141 C ILE A 9 3.857 -2.013 -5.183 1.00 1.00 C ATOM 142 O ILE A 9 4.256 -2.334 -6.303 1.00 1.00 O ATOM 143 CB ILE A 9 4.041 0.396 -4.621 1.00 1.00 C ATOM 144 CG1 ILE A 9 4.721 1.469 -3.744 1.00 1.00 C ATOM 145 CG2 ILE A 9 2.530 0.395 -4.370 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.414 1.276 -2.245 1.00 1.00 C ATOM 0 H ILE A 9 6.221 -1.127 -5.717 1.00 1.00 H new ATOM 0 HA ILE A 9 4.528 -1.233 -3.294 1.00 1.00 H new ATOM 0 HB ILE A 9 4.231 0.642 -5.666 1.00 1.00 H new ATOM 0 HG12 ILE A 9 5.799 1.433 -3.900 1.00 1.00 H new ATOM 0 HG13 ILE A 9 4.386 2.458 -4.057 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.128 1.389 -4.565 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.052 -0.326 -5.033 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.334 0.121 -3.333 1.00 1.00 H new ATOM 0 HD11 ILE A 9 4.914 2.054 -1.668 1.00 1.00 H new ATOM 0 HD12 ILE A 9 3.338 1.339 -2.083 1.00 1.00 H new ATOM 0 HD13 ILE A 9 4.773 0.299 -1.923 1.00 1.00 H new ATOM 158 N LEU A 10 2.757 -2.529 -4.628 1.00 1.00 N ATOM 159 CA LEU A 10 1.936 -3.519 -5.332 1.00 1.00 C ATOM 160 C LEU A 10 0.471 -3.123 -5.300 1.00 1.00 C ATOM 161 O LEU A 10 -0.038 -2.661 -4.277 1.00 1.00 O ATOM 162 CB LEU A 10 2.070 -4.891 -4.669 1.00 1.00 C ATOM 163 CG LEU A 10 1.425 -5.996 -5.563 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.485 -7.032 -5.968 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.303 -6.714 -4.796 1.00 1.00 C ATOM 0 H LEU A 10 2.416 -2.280 -3.700 1.00 1.00 H new ATOM 0 HA LEU A 10 2.286 -3.562 -6.363 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.123 -5.119 -4.501 1.00 1.00 H new ATOM 0 HB3 LEU A 10 1.587 -4.878 -3.692 1.00 1.00 H new ATOM 0 HG LEU A 10 1.014 -5.519 -6.453 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.025 -7.799 -6.591 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.281 -6.539 -6.527 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.902 -7.494 -5.073 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -0.138 -7.482 -5.431 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.714 -7.177 -3.899 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.464 -5.993 -4.513 1.00 1.00 H new ATOM 177 N THR A 11 -0.221 -3.343 -6.414 1.00 1.00 N ATOM 178 CA THR A 11 -1.653 -3.044 -6.487 1.00 1.00 C ATOM 179 C THR A 11 -2.420 -4.356 -6.545 1.00 1.00 C ATOM 180 O THR A 11 -2.442 -5.029 -7.576 1.00 1.00 O ATOM 181 CB THR A 11 -1.960 -2.213 -7.735 1.00 1.00 C ATOM 182 OG1 THR A 11 -1.560 -2.931 -8.894 1.00 1.00 O ATOM 183 CG2 THR A 11 -1.205 -0.886 -7.673 1.00 1.00 C ATOM 0 H THR A 11 0.179 -3.723 -7.272 1.00 1.00 H new ATOM 0 HA THR A 11 -1.951 -2.472 -5.609 1.00 1.00 H new ATOM 0 HB THR A 11 -3.031 -2.016 -7.779 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.893 -3.851 -8.840 1.00 1.00 H new ATOM 0 HG21 THR A 11 -1.427 -0.299 -8.564 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.515 -0.332 -6.787 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.133 -1.079 -7.624 1.00 1.00 H new ATOM 191 N LEU A 12 -3.034 -4.723 -5.428 1.00 1.00 N ATOM 192 CA LEU A 12 -3.782 -5.968 -5.363 1.00 1.00 C ATOM 193 C LEU A 12 -4.952 -5.914 -6.333 1.00 1.00 C ATOM 194 O LEU A 12 -5.232 -6.878 -7.047 1.00 1.00 O ATOM 195 CB LEU A 12 -4.291 -6.203 -3.932 1.00 1.00 C ATOM 196 CG LEU A 12 -4.936 -7.594 -3.818 1.00 1.00 C ATOM 197 CD1 LEU A 12 -3.897 -8.692 -4.135 1.00 1.00 C ATOM 198 CD2 LEU A 12 -5.469 -7.788 -2.393 1.00 1.00 C ATOM 0 H LEU A 12 -3.029 -4.182 -4.564 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.127 -6.794 -5.641 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.465 -6.119 -3.226 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -5.017 -5.435 -3.666 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.755 -7.668 -4.533 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.366 -9.672 -4.051 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.521 -8.556 -5.149 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.069 -8.624 -3.429 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.927 -8.773 -2.307 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.646 -7.707 -1.683 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.213 -7.021 -2.175 1.00 1.00 H new ATOM 210 N GLY A 13 -5.629 -4.770 -6.363 1.00 1.00 N ATOM 211 CA GLY A 13 -6.760 -4.591 -7.261 1.00 1.00 C ATOM 212 C GLY A 13 -7.533 -3.319 -6.930 1.00 1.00 C ATOM 213 O GLY A 13 -7.464 -2.809 -5.812 1.00 1.00 O ATOM 0 H GLY A 13 -5.415 -3.961 -5.780 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -6.406 -4.547 -8.291 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.424 -5.452 -7.189 1.00 1.00 H new ATOM 217 N LYS A 14 -8.283 -2.827 -7.909 1.00 1.00 N ATOM 218 CA LYS A 14 -9.087 -1.623 -7.724 1.00 1.00 C ATOM 219 C LYS A 14 -8.222 -0.450 -7.270 1.00 1.00 C ATOM 220 O LYS A 14 -7.183 -0.636 -6.638 1.00 1.00 O ATOM 221 CB LYS A 14 -10.168 -1.885 -6.682 1.00 1.00 C ATOM 222 CG LYS A 14 -11.236 -0.794 -6.763 1.00 1.00 C ATOM 223 CD LYS A 14 -12.377 -1.133 -5.813 1.00 1.00 C ATOM 224 CE LYS A 14 -13.491 -0.100 -5.970 1.00 1.00 C ATOM 225 NZ LYS A 14 -12.965 1.260 -5.663 1.00 1.00 N ATOM 0 H LYS A 14 -8.352 -3.242 -8.838 1.00 1.00 H new ATOM 0 HA LYS A 14 -9.544 -1.367 -8.680 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.620 -2.863 -6.850 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.729 -1.904 -5.685 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.805 0.172 -6.501 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -11.610 -0.711 -7.783 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.759 -2.131 -6.027 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.018 -1.143 -4.784 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -13.884 -0.127 -6.986 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -14.318 -0.339 -5.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -13.669 1.788 -5.109 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.085 1.176 -5.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -12.773 1.766 -6.551 1.00 1.00 H new ATOM 239 N LEU A 15 -8.659 0.762 -7.591 1.00 1.00 N ATOM 240 CA LEU A 15 -7.909 1.950 -7.192 1.00 1.00 C ATOM 241 C LEU A 15 -8.752 3.208 -7.398 1.00 1.00 C ATOM 242 O LEU A 15 -9.268 3.444 -8.492 1.00 1.00 O ATOM 243 CB LEU A 15 -6.618 2.058 -8.013 1.00 1.00 C ATOM 244 CG LEU A 15 -5.740 3.195 -7.469 1.00 1.00 C ATOM 245 CD1 LEU A 15 -5.158 2.823 -6.091 1.00 1.00 C ATOM 246 CD2 LEU A 15 -4.600 3.472 -8.457 1.00 1.00 C ATOM 0 H LEU A 15 -9.513 0.948 -8.117 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.659 1.860 -6.135 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -6.072 1.115 -7.972 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.858 2.243 -9.060 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.353 4.089 -7.353 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.539 3.642 -5.724 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -5.972 2.641 -5.389 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -4.550 1.923 -6.184 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.975 4.279 -8.074 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.997 2.572 -8.579 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -5.017 3.763 -9.421 1.00 1.00 H new ATOM 258 N SER A 16 -8.879 4.024 -6.355 1.00 1.00 N ATOM 259 CA SER A 16 -9.647 5.260 -6.462 1.00 1.00 C ATOM 260 C SER A 16 -8.983 6.223 -7.444 1.00 1.00 C ATOM 261 O SER A 16 -9.650 6.853 -8.266 1.00 1.00 O ATOM 262 CB SER A 16 -9.791 5.926 -5.091 1.00 1.00 C ATOM 263 OG SER A 16 -10.582 7.099 -5.227 1.00 1.00 O ATOM 0 H SER A 16 -8.466 3.855 -5.438 1.00 1.00 H new ATOM 0 HA SER A 16 -10.640 5.010 -6.835 1.00 1.00 H new ATOM 0 HB2 SER A 16 -10.256 5.238 -4.385 1.00 1.00 H new ATOM 0 HB3 SER A 16 -8.809 6.178 -4.690 1.00 1.00 H new ATOM 0 HG SER A 16 -10.680 7.531 -4.353 1.00 1.00 H new ATOM 269 N GLN A 17 -7.660 6.335 -7.348 1.00 1.00 N ATOM 270 CA GLN A 17 -6.897 7.223 -8.223 1.00 1.00 C ATOM 271 C GLN A 17 -6.915 6.733 -9.664 1.00 1.00 C ATOM 272 O GLN A 17 -6.994 5.532 -9.928 1.00 1.00 O ATOM 273 CB GLN A 17 -5.443 7.301 -7.736 1.00 1.00 C ATOM 274 CG GLN A 17 -5.363 8.163 -6.482 1.00 1.00 C ATOM 275 CD GLN A 17 -4.057 7.919 -5.743 1.00 1.00 C ATOM 276 OE1 GLN A 17 -4.099 7.703 -4.460 1.00 1.00 O flip ATOM 277 NE2 GLN A 17 -2.981 7.928 -6.342 1.00 1.00 N flip ATOM 0 H GLN A 17 -7.094 5.822 -6.673 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.361 8.209 -8.188 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -5.067 6.300 -7.525 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -4.810 7.721 -8.518 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.442 9.216 -6.753 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -6.205 7.939 -5.827 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -2.958 8.098 -7.347 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -2.112 7.765 -5.833 1.00 1.00 H new ATOM 286 N ASN A 18 -6.823 7.681 -10.592 1.00 1.00 N ATOM 287 CA ASN A 18 -6.804 7.362 -12.012 1.00 1.00 C ATOM 288 C ASN A 18 -5.444 6.764 -12.350 1.00 1.00 C ATOM 289 O ASN A 18 -4.487 6.943 -11.595 1.00 1.00 O ATOM 290 CB ASN A 18 -7.043 8.637 -12.832 1.00 1.00 C ATOM 291 CG ASN A 18 -8.076 9.511 -12.129 1.00 1.00 C ATOM 292 OD1 ASN A 18 -7.684 10.565 -11.469 1.00 1.00 O flip ATOM 293 ND2 ASN A 18 -9.272 9.222 -12.176 1.00 1.00 N flip ATOM 0 H ASN A 18 -6.760 8.677 -10.383 1.00 1.00 H new ATOM 0 HA ASN A 18 -7.591 6.647 -12.251 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -6.109 9.185 -12.951 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -7.391 8.378 -13.832 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.577 8.397 -12.693 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -9.957 9.807 -11.698 1.00 1.00 H new ATOM 300 N LYS A 19 -5.346 6.049 -13.462 1.00 1.00 N ATOM 301 CA LYS A 19 -4.076 5.444 -13.816 1.00 1.00 C ATOM 302 C LYS A 19 -2.974 6.497 -13.913 1.00 1.00 C ATOM 303 O LYS A 19 -1.882 6.305 -13.386 1.00 1.00 O ATOM 304 CB LYS A 19 -4.177 4.687 -15.149 1.00 1.00 C ATOM 305 CG LYS A 19 -4.778 5.591 -16.240 1.00 1.00 C ATOM 306 CD LYS A 19 -4.877 4.821 -17.564 1.00 1.00 C ATOM 307 CE LYS A 19 -3.507 4.778 -18.255 1.00 1.00 C ATOM 308 NZ LYS A 19 -3.645 4.133 -19.590 1.00 1.00 N ATOM 0 H LYS A 19 -6.109 5.878 -14.117 1.00 1.00 H new ATOM 0 HA LYS A 19 -3.823 4.738 -13.025 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -3.188 4.346 -15.456 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -4.796 3.799 -15.023 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -5.766 5.935 -15.935 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -4.158 6.478 -16.371 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -5.231 3.807 -17.378 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -5.607 5.299 -18.217 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -3.112 5.788 -18.366 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.796 4.223 -17.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -2.717 4.103 -20.059 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -4.004 3.164 -19.472 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -4.310 4.680 -20.173 1.00 1.00 H new ATOM 322 N ASP A 20 -3.254 7.599 -14.601 1.00 1.00 N ATOM 323 CA ASP A 20 -2.265 8.656 -14.776 1.00 1.00 C ATOM 324 C ASP A 20 -1.893 9.324 -13.460 1.00 1.00 C ATOM 325 O ASP A 20 -0.713 9.529 -13.170 1.00 1.00 O ATOM 326 CB ASP A 20 -2.808 9.703 -15.740 1.00 1.00 C ATOM 327 CG ASP A 20 -1.776 10.806 -15.956 1.00 1.00 C ATOM 328 OD1 ASP A 20 -0.620 10.578 -15.646 1.00 1.00 O ATOM 329 OD2 ASP A 20 -2.158 11.862 -16.432 1.00 1.00 O ATOM 0 H ASP A 20 -4.154 7.783 -15.045 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.362 8.197 -15.178 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.057 9.236 -16.693 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.729 10.130 -15.344 1.00 1.00 H new ATOM 334 N GLU A 21 -2.894 9.691 -12.671 1.00 1.00 N ATOM 335 CA GLU A 21 -2.629 10.360 -11.406 1.00 1.00 C ATOM 336 C GLU A 21 -1.921 9.431 -10.429 1.00 1.00 C ATOM 337 O GLU A 21 -0.969 9.839 -9.762 1.00 1.00 O ATOM 338 CB GLU A 21 -3.939 10.870 -10.791 1.00 1.00 C ATOM 339 CG GLU A 21 -4.528 11.986 -11.665 1.00 1.00 C ATOM 340 CD GLU A 21 -3.625 13.220 -11.650 1.00 1.00 C ATOM 341 OE1 GLU A 21 -2.702 13.254 -10.855 1.00 1.00 O ATOM 342 OE2 GLU A 21 -3.867 14.111 -12.448 1.00 1.00 O ATOM 0 H GLU A 21 -3.881 9.540 -12.880 1.00 1.00 H new ATOM 0 HA GLU A 21 -1.973 11.207 -11.605 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -4.652 10.051 -10.703 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -3.756 11.244 -9.783 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.647 11.629 -12.688 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -5.521 12.252 -11.303 1.00 1.00 H new ATOM 349 N ALA A 22 -2.379 8.189 -10.341 1.00 1.00 N ATOM 350 CA ALA A 22 -1.759 7.238 -9.430 1.00 1.00 C ATOM 351 C ALA A 22 -0.306 6.971 -9.820 1.00 1.00 C ATOM 352 O ALA A 22 0.605 7.104 -9.010 1.00 1.00 O ATOM 353 CB ALA A 22 -2.499 5.904 -9.488 1.00 1.00 C ATOM 0 H ALA A 22 -3.164 7.822 -10.879 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.803 7.668 -8.429 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -2.029 5.197 -8.804 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -3.539 6.052 -9.199 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.457 5.509 -10.503 1.00 1.00 H new ATOM 359 N LYS A 23 -0.113 6.568 -11.077 1.00 1.00 N ATOM 360 CA LYS A 23 1.207 6.234 -11.589 1.00 1.00 C ATOM 361 C LYS A 23 2.155 7.426 -11.560 1.00 1.00 C ATOM 362 O LYS A 23 3.324 7.291 -11.196 1.00 1.00 O ATOM 363 CB LYS A 23 1.046 5.676 -13.010 1.00 1.00 C ATOM 364 CG LYS A 23 1.074 6.788 -14.064 1.00 1.00 C ATOM 365 CD LYS A 23 0.523 6.250 -15.384 1.00 1.00 C ATOM 366 CE LYS A 23 1.239 4.953 -15.769 1.00 1.00 C ATOM 367 NZ LYS A 23 0.589 3.807 -15.078 1.00 1.00 N ATOM 0 H LYS A 23 -0.864 6.466 -11.760 1.00 1.00 H new ATOM 0 HA LYS A 23 1.660 5.481 -10.945 1.00 1.00 H new ATOM 0 HB2 LYS A 23 1.845 4.962 -13.213 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.105 5.130 -13.082 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.479 7.638 -13.728 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.094 7.148 -14.202 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -0.548 6.069 -15.292 1.00 1.00 H new ATOM 0 HD3 LYS A 23 0.654 6.993 -16.171 1.00 1.00 H new ATOM 0 HE2 LYS A 23 1.201 4.810 -16.849 1.00 1.00 H new ATOM 0 HE3 LYS A 23 2.292 5.010 -15.492 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.214 3.456 -14.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.312 4.118 -14.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.410 3.045 -15.763 1.00 1.00 H new ATOM 381 N ALA A 24 1.656 8.580 -11.956 1.00 1.00 N ATOM 382 CA ALA A 24 2.488 9.772 -11.982 1.00 1.00 C ATOM 383 C ALA A 24 3.022 10.102 -10.591 1.00 1.00 C ATOM 384 O ALA A 24 4.220 10.335 -10.422 1.00 1.00 O ATOM 385 CB ALA A 24 1.689 10.965 -12.506 1.00 1.00 C ATOM 0 H ALA A 24 0.693 8.720 -12.261 1.00 1.00 H new ATOM 0 HA ALA A 24 3.330 9.572 -12.645 1.00 1.00 H new ATOM 0 HB1 ALA A 24 2.324 11.851 -12.520 1.00 1.00 H new ATOM 0 HB2 ALA A 24 1.339 10.753 -13.516 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.833 11.143 -11.856 1.00 1.00 H new ATOM 391 N MET A 25 2.134 10.136 -9.596 1.00 1.00 N ATOM 392 CA MET A 25 2.552 10.459 -8.239 1.00 1.00 C ATOM 393 C MET A 25 3.463 9.383 -7.650 1.00 1.00 C ATOM 394 O MET A 25 4.421 9.697 -6.955 1.00 1.00 O ATOM 395 CB MET A 25 1.322 10.754 -7.340 1.00 1.00 C ATOM 396 CG MET A 25 0.857 9.525 -6.530 1.00 1.00 C ATOM 397 SD MET A 25 -0.562 10.003 -5.509 1.00 1.00 S ATOM 398 CE MET A 25 0.307 11.161 -4.419 1.00 1.00 C ATOM 0 H MET A 25 1.138 9.947 -9.705 1.00 1.00 H new ATOM 0 HA MET A 25 3.150 11.369 -8.280 1.00 1.00 H new ATOM 0 HB2 MET A 25 1.567 11.563 -6.652 1.00 1.00 H new ATOM 0 HB3 MET A 25 0.499 11.104 -7.963 1.00 1.00 H new ATOM 0 HG2 MET A 25 0.582 8.712 -7.202 1.00 1.00 H new ATOM 0 HG3 MET A 25 1.668 9.158 -5.901 1.00 1.00 H new ATOM 0 HE1 MET A 25 -0.056 11.042 -3.398 1.00 1.00 H new ATOM 0 HE2 MET A 25 1.377 10.956 -4.450 1.00 1.00 H new ATOM 0 HE3 MET A 25 0.124 12.182 -4.753 1.00 1.00 H new ATOM 408 N ILE A 26 3.161 8.124 -7.916 1.00 1.00 N ATOM 409 CA ILE A 26 3.968 7.033 -7.382 1.00 1.00 C ATOM 410 C ILE A 26 5.406 7.075 -7.908 1.00 1.00 C ATOM 411 O ILE A 26 6.351 6.905 -7.136 1.00 1.00 O ATOM 412 CB ILE A 26 3.289 5.714 -7.748 1.00 1.00 C ATOM 413 CG1 ILE A 26 1.995 5.593 -6.935 1.00 1.00 C ATOM 414 CG2 ILE A 26 4.210 4.526 -7.440 1.00 1.00 C ATOM 415 CD1 ILE A 26 1.113 4.517 -7.547 1.00 1.00 C ATOM 0 H ILE A 26 2.372 7.830 -8.492 1.00 1.00 H new ATOM 0 HA ILE A 26 4.035 7.133 -6.299 1.00 1.00 H new ATOM 0 HB ILE A 26 3.069 5.703 -8.815 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.225 5.344 -5.899 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.469 6.547 -6.924 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.707 3.597 -7.708 1.00 1.00 H new ATOM 0 HG22 ILE A 26 5.130 4.620 -8.017 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.448 4.516 -6.376 1.00 1.00 H new ATOM 0 HD11 ILE A 26 0.192 4.430 -6.970 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.873 4.785 -8.576 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.641 3.563 -7.535 1.00 1.00 H new ATOM 427 N GLU A 27 5.576 7.310 -9.207 1.00 1.00 N ATOM 428 CA GLU A 27 6.915 7.377 -9.793 1.00 1.00 C ATOM 429 C GLU A 27 7.615 8.698 -9.484 1.00 1.00 C ATOM 430 O GLU A 27 8.844 8.769 -9.500 1.00 1.00 O ATOM 431 CB GLU A 27 6.834 7.152 -11.306 1.00 1.00 C ATOM 432 CG GLU A 27 6.581 5.669 -11.589 1.00 1.00 C ATOM 433 CD GLU A 27 7.858 4.873 -11.345 1.00 1.00 C ATOM 434 OE1 GLU A 27 8.923 5.469 -11.368 1.00 1.00 O ATOM 435 OE2 GLU A 27 7.753 3.681 -11.129 1.00 1.00 O ATOM 0 H GLU A 27 4.814 7.456 -9.869 1.00 1.00 H new ATOM 0 HA GLU A 27 7.514 6.586 -9.341 1.00 1.00 H new ATOM 0 HB2 GLU A 27 6.033 7.756 -11.732 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.761 7.471 -11.782 1.00 1.00 H new ATOM 0 HG2 GLU A 27 5.782 5.298 -10.947 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.250 5.537 -12.619 1.00 1.00 H new ATOM 442 N LYS A 28 6.843 9.742 -9.203 1.00 1.00 N ATOM 443 CA LYS A 28 7.438 11.043 -8.899 1.00 1.00 C ATOM 444 C LYS A 28 8.336 10.922 -7.671 1.00 1.00 C ATOM 445 O LYS A 28 9.466 11.407 -7.658 1.00 1.00 O ATOM 446 CB LYS A 28 6.333 12.063 -8.613 1.00 1.00 C ATOM 447 CG LYS A 28 6.946 13.462 -8.466 1.00 1.00 C ATOM 448 CD LYS A 28 5.866 14.475 -8.068 1.00 1.00 C ATOM 449 CE LYS A 28 4.891 14.717 -9.226 1.00 1.00 C ATOM 450 NZ LYS A 28 4.130 15.969 -8.954 1.00 1.00 N ATOM 0 H LYS A 28 5.824 9.718 -9.179 1.00 1.00 H new ATOM 0 HA LYS A 28 8.028 11.373 -9.754 1.00 1.00 H new ATOM 0 HB2 LYS A 28 5.603 12.059 -9.422 1.00 1.00 H new ATOM 0 HB3 LYS A 28 5.801 11.791 -7.702 1.00 1.00 H new ATOM 0 HG2 LYS A 28 7.734 13.444 -7.713 1.00 1.00 H new ATOM 0 HG3 LYS A 28 7.410 13.764 -9.405 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.321 14.109 -7.198 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.333 15.416 -7.778 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.435 14.802 -10.167 1.00 1.00 H new ATOM 0 HE3 LYS A 28 4.208 13.874 -9.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 3.464 16.146 -9.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 3.603 15.868 -8.063 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 4.792 16.768 -8.876 1.00 1.00 H new ATOM 464 N LEU A 29 7.819 10.253 -6.646 1.00 1.00 N ATOM 465 CA LEU A 29 8.562 10.039 -5.403 1.00 1.00 C ATOM 466 C LEU A 29 9.783 9.190 -5.690 1.00 1.00 C ATOM 467 O LEU A 29 10.862 9.376 -5.128 1.00 1.00 O ATOM 468 CB LEU A 29 7.697 9.256 -4.405 1.00 1.00 C ATOM 469 CG LEU A 29 6.322 9.905 -4.269 1.00 1.00 C ATOM 470 CD1 LEU A 29 5.389 9.003 -3.438 1.00 1.00 C ATOM 471 CD2 LEU A 29 6.463 11.259 -3.582 1.00 1.00 C ATOM 0 H LEU A 29 6.884 9.847 -6.649 1.00 1.00 H new ATOM 0 HA LEU A 29 8.840 11.011 -4.995 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.588 8.224 -4.740 1.00 1.00 H new ATOM 0 HB3 LEU A 29 8.189 9.225 -3.433 1.00 1.00 H new ATOM 0 HG LEU A 29 5.894 10.040 -5.262 1.00 1.00 H new ATOM 0 HD11 LEU A 29 4.411 9.476 -3.348 1.00 1.00 H new ATOM 0 HD12 LEU A 29 5.281 8.038 -3.933 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.814 8.856 -2.445 1.00 1.00 H new ATOM 0 HD21 LEU A 29 5.481 11.722 -3.485 1.00 1.00 H new ATOM 0 HD22 LEU A 29 6.898 11.121 -2.592 1.00 1.00 H new ATOM 0 HD23 LEU A 29 7.111 11.903 -4.177 1.00 1.00 H new ATOM 483 N GLY A 30 9.550 8.210 -6.544 1.00 1.00 N ATOM 484 CA GLY A 30 10.554 7.235 -6.919 1.00 1.00 C ATOM 485 C GLY A 30 9.936 5.860 -6.764 1.00 1.00 C ATOM 486 O GLY A 30 10.564 4.841 -7.050 1.00 1.00 O ATOM 0 H GLY A 30 8.649 8.068 -7.001 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.879 7.395 -7.947 1.00 1.00 H new ATOM 0 HA3 GLY A 30 11.437 7.332 -6.287 1.00 1.00 H new ATOM 490 N GLY A 31 8.677 5.849 -6.306 1.00 1.00 N ATOM 491 CA GLY A 31 7.958 4.600 -6.118 1.00 1.00 C ATOM 492 C GLY A 31 7.865 3.842 -7.436 1.00 1.00 C ATOM 493 O GLY A 31 7.902 4.438 -8.510 1.00 1.00 O ATOM 0 H GLY A 31 8.147 6.686 -6.063 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.467 3.988 -5.373 1.00 1.00 H new ATOM 0 HA3 GLY A 31 6.958 4.802 -5.735 1.00 1.00 H new ATOM 497 N LYS A 32 7.769 2.520 -7.347 1.00 1.00 N ATOM 498 CA LYS A 32 7.693 1.672 -8.536 1.00 1.00 C ATOM 499 C LYS A 32 6.719 0.530 -8.317 1.00 1.00 C ATOM 500 O LYS A 32 6.546 0.055 -7.195 1.00 1.00 O ATOM 501 CB LYS A 32 9.075 1.093 -8.854 1.00 1.00 C ATOM 502 CG LYS A 32 10.036 2.224 -9.242 1.00 1.00 C ATOM 503 CD LYS A 32 11.443 1.661 -9.480 1.00 1.00 C ATOM 504 CE LYS A 32 11.532 1.022 -10.871 1.00 1.00 C ATOM 505 NZ LYS A 32 12.944 0.624 -11.139 1.00 1.00 N ATOM 0 H LYS A 32 7.742 2.010 -6.464 1.00 1.00 H new ATOM 0 HA LYS A 32 7.346 2.284 -9.369 1.00 1.00 H new ATOM 0 HB2 LYS A 32 9.462 0.556 -7.988 1.00 1.00 H new ATOM 0 HB3 LYS A 32 8.999 0.373 -9.669 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.678 2.723 -10.143 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.065 2.974 -8.452 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.181 2.458 -9.391 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.680 0.920 -8.716 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.879 0.151 -10.926 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.190 1.725 -11.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.009 0.190 -12.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.555 1.465 -11.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 13.254 -0.061 -10.420 1.00 1.00 H new ATOM 519 N LEU A 33 6.099 0.075 -9.406 1.00 1.00 N ATOM 520 CA LEU A 33 5.154 -1.038 -9.336 1.00 1.00 C ATOM 521 C LEU A 33 5.857 -2.338 -9.712 1.00 1.00 C ATOM 522 O LEU A 33 6.661 -2.377 -10.642 1.00 1.00 O ATOM 523 CB LEU A 33 3.974 -0.802 -10.284 1.00 1.00 C ATOM 524 CG LEU A 33 3.154 0.417 -9.831 1.00 1.00 C ATOM 525 CD1 LEU A 33 2.133 0.760 -10.921 1.00 1.00 C ATOM 526 CD2 LEU A 33 2.416 0.109 -8.514 1.00 1.00 C ATOM 0 H LEU A 33 6.233 0.458 -10.342 1.00 1.00 H new ATOM 0 HA LEU A 33 4.777 -1.108 -8.316 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.341 -0.644 -11.298 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.338 -1.687 -10.309 1.00 1.00 H new ATOM 0 HG LEU A 33 3.825 1.260 -9.665 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.545 1.624 -10.610 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.656 0.992 -11.849 1.00 1.00 H new ATOM 0 HD13 LEU A 33 1.471 -0.091 -11.080 1.00 1.00 H new ATOM 0 HD21 LEU A 33 1.840 0.982 -8.207 1.00 1.00 H new ATOM 0 HD22 LEU A 33 1.743 -0.735 -8.663 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.142 -0.138 -7.739 1.00 1.00 H new ATOM 538 N THR A 34 5.558 -3.397 -8.970 1.00 1.00 N ATOM 539 CA THR A 34 6.171 -4.703 -9.213 1.00 1.00 C ATOM 540 C THR A 34 5.120 -5.802 -9.158 1.00 1.00 C ATOM 541 O THR A 34 4.035 -5.607 -8.609 1.00 1.00 O ATOM 542 CB THR A 34 7.240 -4.976 -8.150 1.00 1.00 C ATOM 543 OG1 THR A 34 7.820 -6.253 -8.379 1.00 1.00 O ATOM 544 CG2 THR A 34 6.595 -4.953 -6.764 1.00 1.00 C ATOM 0 H THR A 34 4.895 -3.380 -8.195 1.00 1.00 H new ATOM 0 HA THR A 34 6.626 -4.694 -10.203 1.00 1.00 H new ATOM 0 HB THR A 34 8.013 -4.210 -8.206 1.00 1.00 H new ATOM 0 HG1 THR A 34 8.505 -6.428 -7.700 1.00 1.00 H new ATOM 0 HG21 THR A 34 7.354 -5.147 -6.006 1.00 1.00 H new ATOM 0 HG22 THR A 34 6.147 -3.975 -6.587 1.00 1.00 H new ATOM 0 HG23 THR A 34 5.823 -5.721 -6.709 1.00 1.00 H new ATOM 552 N GLY A 35 5.452 -6.952 -9.730 1.00 1.00 N ATOM 553 CA GLY A 35 4.539 -8.090 -9.741 1.00 1.00 C ATOM 554 C GLY A 35 4.718 -8.914 -8.473 1.00 1.00 C ATOM 555 O GLY A 35 4.788 -8.360 -7.376 1.00 1.00 O ATOM 0 H GLY A 35 6.345 -7.122 -10.192 1.00 1.00 H new ATOM 0 HA2 GLY A 35 3.509 -7.740 -9.815 1.00 1.00 H new ATOM 0 HA3 GLY A 35 4.728 -8.710 -10.617 1.00 1.00 H new ATOM 559 N SER A 36 4.799 -10.236 -8.626 1.00 1.00 N ATOM 560 CA SER A 36 4.977 -11.123 -7.473 1.00 1.00 C ATOM 561 C SER A 36 4.161 -10.619 -6.286 1.00 1.00 C ATOM 562 O SER A 36 3.087 -10.043 -6.470 1.00 1.00 O ATOM 563 CB SER A 36 6.459 -11.181 -7.099 1.00 1.00 C ATOM 564 OG SER A 36 6.698 -12.317 -6.278 1.00 1.00 O ATOM 0 H SER A 36 4.745 -10.713 -9.526 1.00 1.00 H new ATOM 0 HA SER A 36 4.629 -12.122 -7.735 1.00 1.00 H new ATOM 0 HB2 SER A 36 7.070 -11.235 -8.000 1.00 1.00 H new ATOM 0 HB3 SER A 36 6.748 -10.271 -6.572 1.00 1.00 H new ATOM 0 HG SER A 36 7.664 -12.446 -6.172 1.00 1.00 H new ATOM 570 N ALA A 37 4.668 -10.825 -5.071 1.00 1.00 N ATOM 571 CA ALA A 37 3.966 -10.366 -3.874 1.00 1.00 C ATOM 572 C ALA A 37 4.966 -9.868 -2.831 1.00 1.00 C ATOM 573 O ALA A 37 5.000 -8.678 -2.512 1.00 1.00 O ATOM 574 CB ALA A 37 3.119 -11.506 -3.295 1.00 1.00 C ATOM 0 H ALA A 37 5.552 -11.301 -4.891 1.00 1.00 H new ATOM 0 HA ALA A 37 3.309 -9.540 -4.146 1.00 1.00 H new ATOM 0 HB1 ALA A 37 2.599 -11.156 -2.403 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.389 -11.830 -4.037 1.00 1.00 H new ATOM 0 HB3 ALA A 37 3.766 -12.343 -3.033 1.00 1.00 H new ATOM 580 N ASN A 38 5.773 -10.784 -2.304 1.00 1.00 N ATOM 581 CA ASN A 38 6.764 -10.434 -1.283 1.00 1.00 C ATOM 582 C ASN A 38 7.808 -9.448 -1.799 1.00 1.00 C ATOM 583 O ASN A 38 8.403 -8.710 -1.015 1.00 1.00 O ATOM 584 CB ASN A 38 7.466 -11.681 -0.761 1.00 1.00 C ATOM 585 CG ASN A 38 8.405 -11.288 0.373 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.612 -11.520 0.298 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.914 -10.689 1.425 1.00 1.00 N ATOM 0 H ASN A 38 5.763 -11.770 -2.563 1.00 1.00 H new ATOM 0 HA ASN A 38 6.216 -9.953 -0.473 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.732 -12.405 -0.407 1.00 1.00 H new ATOM 0 HB3 ASN A 38 8.026 -12.161 -1.564 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.531 -10.412 2.188 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.914 -10.499 1.483 1.00 1.00 H new ATOM 594 N LYS A 39 8.037 -9.437 -3.104 1.00 1.00 N ATOM 595 CA LYS A 39 9.025 -8.528 -3.671 1.00 1.00 C ATOM 596 C LYS A 39 8.645 -7.093 -3.330 1.00 1.00 C ATOM 597 O LYS A 39 9.512 -6.256 -3.076 1.00 1.00 O ATOM 598 CB LYS A 39 9.088 -8.684 -5.200 1.00 1.00 C ATOM 599 CG LYS A 39 9.514 -10.109 -5.614 1.00 1.00 C ATOM 600 CD LYS A 39 10.983 -10.383 -5.251 1.00 1.00 C ATOM 601 CE LYS A 39 11.358 -11.801 -5.688 1.00 1.00 C ATOM 602 NZ LYS A 39 12.790 -12.053 -5.362 1.00 1.00 N ATOM 0 H LYS A 39 7.563 -10.035 -3.781 1.00 1.00 H new ATOM 0 HA LYS A 39 10.002 -8.767 -3.251 1.00 1.00 H new ATOM 0 HB2 LYS A 39 8.112 -8.457 -5.629 1.00 1.00 H new ATOM 0 HB3 LYS A 39 9.792 -7.960 -5.610 1.00 1.00 H new ATOM 0 HG2 LYS A 39 8.873 -10.840 -5.121 1.00 1.00 H new ATOM 0 HG3 LYS A 39 9.373 -10.235 -6.687 1.00 1.00 H new ATOM 0 HD2 LYS A 39 11.632 -9.656 -5.740 1.00 1.00 H new ATOM 0 HD3 LYS A 39 11.131 -10.270 -4.177 1.00 1.00 H new ATOM 0 HE2 LYS A 39 10.724 -12.530 -5.182 1.00 1.00 H new ATOM 0 HE3 LYS A 39 11.190 -11.921 -6.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 13.049 -13.016 -5.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 13.387 -11.365 -5.864 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 12.935 -11.955 -4.337 1.00 1.00 H new ATOM 616 N ALA A 40 7.351 -6.817 -3.320 1.00 1.00 N ATOM 617 CA ALA A 40 6.872 -5.475 -3.004 1.00 1.00 C ATOM 618 C ALA A 40 7.017 -5.187 -1.511 1.00 1.00 C ATOM 619 O ALA A 40 7.280 -6.097 -0.725 1.00 1.00 O ATOM 620 CB ALA A 40 5.411 -5.350 -3.421 1.00 1.00 C ATOM 0 H ALA A 40 6.617 -7.495 -3.525 1.00 1.00 H new ATOM 0 HA ALA A 40 7.472 -4.747 -3.550 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.050 -4.349 -3.186 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.322 -5.526 -4.493 1.00 1.00 H new ATOM 0 HB3 ALA A 40 4.815 -6.086 -2.882 1.00 1.00 H new ATOM 626 N SER A 41 6.852 -3.919 -1.115 1.00 1.00 N ATOM 627 CA SER A 41 6.970 -3.558 0.300 1.00 1.00 C ATOM 628 C SER A 41 5.587 -3.379 0.895 1.00 1.00 C ATOM 629 O SER A 41 5.133 -4.181 1.712 1.00 1.00 O ATOM 630 CB SER A 41 7.741 -2.253 0.449 1.00 1.00 C ATOM 631 OG SER A 41 7.147 -1.279 -0.387 1.00 1.00 O ATOM 0 H SER A 41 6.641 -3.141 -1.740 1.00 1.00 H new ATOM 0 HA SER A 41 7.502 -4.355 0.820 1.00 1.00 H new ATOM 0 HB2 SER A 41 7.725 -1.921 1.487 1.00 1.00 H new ATOM 0 HB3 SER A 41 8.786 -2.398 0.177 1.00 1.00 H new ATOM 0 HG SER A 41 7.470 -1.395 -1.305 1.00 1.00 H new ATOM 637 N LEU A 42 4.920 -2.312 0.466 1.00 1.00 N ATOM 638 CA LEU A 42 3.573 -2.004 0.935 1.00 1.00 C ATOM 639 C LEU A 42 2.564 -2.125 -0.202 1.00 1.00 C ATOM 640 O LEU A 42 2.643 -1.418 -1.208 1.00 1.00 O ATOM 641 CB LEU A 42 3.533 -0.589 1.502 1.00 1.00 C ATOM 642 CG LEU A 42 4.423 -0.493 2.751 1.00 1.00 C ATOM 643 CD1 LEU A 42 4.419 0.949 3.249 1.00 1.00 C ATOM 644 CD2 LEU A 42 3.906 -1.430 3.853 1.00 1.00 C ATOM 0 H LEU A 42 5.292 -1.644 -0.209 1.00 1.00 H new ATOM 0 HA LEU A 42 3.309 -2.719 1.714 1.00 1.00 H new ATOM 0 HB2 LEU A 42 3.873 0.122 0.749 1.00 1.00 H new ATOM 0 HB3 LEU A 42 2.508 -0.320 1.755 1.00 1.00 H new ATOM 0 HG LEU A 42 5.439 -0.795 2.495 1.00 1.00 H new ATOM 0 HD11 LEU A 42 5.048 1.029 4.136 1.00 1.00 H new ATOM 0 HD12 LEU A 42 4.806 1.604 2.469 1.00 1.00 H new ATOM 0 HD13 LEU A 42 3.400 1.245 3.499 1.00 1.00 H new ATOM 0 HD21 LEU A 42 4.548 -1.349 4.730 1.00 1.00 H new ATOM 0 HD22 LEU A 42 2.888 -1.149 4.122 1.00 1.00 H new ATOM 0 HD23 LEU A 42 3.915 -2.458 3.490 1.00 1.00 H new ATOM 656 N CYS A 43 1.611 -3.026 -0.012 1.00 1.00 N ATOM 657 CA CYS A 43 0.560 -3.263 -1.000 1.00 1.00 C ATOM 658 C CYS A 43 -0.577 -2.261 -0.825 1.00 1.00 C ATOM 659 O CYS A 43 -0.975 -1.950 0.298 1.00 1.00 O ATOM 660 CB CYS A 43 0.030 -4.693 -0.859 1.00 1.00 C ATOM 661 SG CYS A 43 -1.504 -4.880 -1.804 1.00 1.00 S ATOM 0 H CYS A 43 1.541 -3.610 0.821 1.00 1.00 H new ATOM 0 HA CYS A 43 0.981 -3.133 -1.997 1.00 1.00 H new ATOM 0 HB2 CYS A 43 0.776 -5.403 -1.216 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -0.150 -4.921 0.192 1.00 1.00 H new ATOM 0 HG CYS A 43 -1.483 -6.010 -2.446 1.00 1.00 H new ATOM 667 N ILE A 44 -1.089 -1.756 -1.943 1.00 1.00 N ATOM 668 CA ILE A 44 -2.177 -0.780 -1.904 1.00 1.00 C ATOM 669 C ILE A 44 -3.525 -1.485 -1.850 1.00 1.00 C ATOM 670 O ILE A 44 -3.951 -2.111 -2.819 1.00 1.00 O ATOM 671 CB ILE A 44 -2.124 0.096 -3.163 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.794 0.863 -3.212 1.00 1.00 C ATOM 673 CG2 ILE A 44 -3.306 1.071 -3.182 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.625 1.779 -1.988 1.00 1.00 C ATOM 0 H ILE A 44 -0.773 -2.003 -2.881 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.059 -0.165 -1.012 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.192 -0.544 -4.043 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.034 0.155 -3.255 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.751 1.460 -4.123 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -3.256 1.686 -4.080 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.241 0.510 -3.178 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -3.264 1.711 -2.301 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.327 2.306 -2.056 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -1.439 2.503 -1.960 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.643 1.178 -1.079 1.00 1.00 H new ATOM 686 N SER A 45 -4.196 -1.353 -0.714 1.00 1.00 N ATOM 687 CA SER A 45 -5.511 -1.954 -0.540 1.00 1.00 C ATOM 688 C SER A 45 -6.221 -1.355 0.673 1.00 1.00 C ATOM 689 O SER A 45 -5.584 -0.982 1.658 1.00 1.00 O ATOM 690 CB SER A 45 -5.392 -3.468 -0.380 1.00 1.00 C ATOM 691 OG SER A 45 -6.690 -4.028 -0.233 1.00 1.00 O ATOM 0 H SER A 45 -3.854 -0.838 0.097 1.00 1.00 H new ATOM 0 HA SER A 45 -6.101 -1.741 -1.431 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.894 -3.899 -1.248 1.00 1.00 H new ATOM 0 HB3 SER A 45 -4.780 -3.706 0.490 1.00 1.00 H new ATOM 0 HG SER A 45 -7.204 -3.881 -1.054 1.00 1.00 H new ATOM 697 N THR A 46 -7.546 -1.272 0.587 1.00 1.00 N ATOM 698 CA THR A 46 -8.362 -0.724 1.668 1.00 1.00 C ATOM 699 C THR A 46 -8.790 -1.828 2.629 1.00 1.00 C ATOM 700 O THR A 46 -8.706 -3.011 2.301 1.00 1.00 O ATOM 701 CB THR A 46 -9.604 -0.053 1.075 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.540 -1.051 0.693 1.00 1.00 O ATOM 703 CG2 THR A 46 -9.205 0.773 -0.153 1.00 1.00 C ATOM 0 H THR A 46 -8.081 -1.579 -0.225 1.00 1.00 H new ATOM 0 HA THR A 46 -7.771 0.008 2.219 1.00 1.00 H new ATOM 0 HB THR A 46 -10.054 0.603 1.820 1.00 1.00 H new ATOM 0 HG1 THR A 46 -11.337 -0.624 0.315 1.00 1.00 H new ATOM 0 HG21 THR A 46 -10.090 1.250 -0.574 1.00 1.00 H new ATOM 0 HG22 THR A 46 -8.486 1.538 0.141 1.00 1.00 H new ATOM 0 HG23 THR A 46 -8.755 0.120 -0.900 1.00 1.00 H new ATOM 711 N LYS A 47 -9.260 -1.432 3.805 1.00 1.00 N ATOM 712 CA LYS A 47 -9.709 -2.385 4.801 1.00 1.00 C ATOM 713 C LYS A 47 -10.861 -3.216 4.263 1.00 1.00 C ATOM 714 O LYS A 47 -10.930 -4.418 4.509 1.00 1.00 O ATOM 715 CB LYS A 47 -10.167 -1.633 6.056 1.00 1.00 C ATOM 716 CG LYS A 47 -10.229 -2.574 7.267 1.00 1.00 C ATOM 717 CD LYS A 47 -8.803 -3.034 7.689 1.00 1.00 C ATOM 718 CE LYS A 47 -8.462 -2.543 9.099 1.00 1.00 C ATOM 719 NZ LYS A 47 -9.076 -3.454 10.109 1.00 1.00 N ATOM 0 H LYS A 47 -9.339 -0.455 4.089 1.00 1.00 H new ATOM 0 HA LYS A 47 -8.881 -3.050 5.047 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.481 -0.812 6.263 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -11.149 -1.192 5.883 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -10.713 -2.067 8.102 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -10.839 -3.444 7.025 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -8.743 -4.122 7.655 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.069 -2.652 6.980 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.381 -2.512 9.232 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -8.830 -1.527 9.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -8.843 -3.119 11.066 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -10.109 -3.462 9.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.704 -4.417 9.980 1.00 1.00 H new ATOM 733 N LYS A 48 -11.767 -2.582 3.531 1.00 1.00 N ATOM 734 CA LYS A 48 -12.906 -3.305 2.991 1.00 1.00 C ATOM 735 C LYS A 48 -12.415 -4.483 2.161 1.00 1.00 C ATOM 736 O LYS A 48 -12.940 -5.583 2.278 1.00 1.00 O ATOM 737 CB LYS A 48 -13.763 -2.388 2.106 1.00 1.00 C ATOM 738 CG LYS A 48 -15.129 -3.045 1.875 1.00 1.00 C ATOM 739 CD LYS A 48 -16.016 -2.121 1.036 1.00 1.00 C ATOM 740 CE LYS A 48 -17.369 -2.794 0.800 1.00 1.00 C ATOM 741 NZ LYS A 48 -18.225 -1.910 -0.041 1.00 1.00 N ATOM 0 H LYS A 48 -11.737 -1.589 3.302 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.514 -3.661 3.823 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -13.889 -1.416 2.583 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -13.264 -2.213 1.153 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -15.001 -4.001 1.367 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -15.608 -3.254 2.831 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -16.155 -1.169 1.548 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -15.534 -1.903 0.083 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -17.227 -3.756 0.308 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -17.859 -2.993 1.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -19.145 -2.368 -0.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -18.370 -1.002 0.446 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -17.758 -1.742 -0.955 1.00 1.00 H new ATOM 755 N GLU A 49 -11.398 -4.241 1.339 1.00 1.00 N ATOM 756 CA GLU A 49 -10.821 -5.283 0.496 1.00 1.00 C ATOM 757 C GLU A 49 -10.224 -6.385 1.369 1.00 1.00 C ATOM 758 O GLU A 49 -10.341 -7.571 1.071 1.00 1.00 O ATOM 759 CB GLU A 49 -9.717 -4.692 -0.378 1.00 1.00 C ATOM 760 CG GLU A 49 -10.328 -3.704 -1.370 1.00 1.00 C ATOM 761 CD GLU A 49 -9.229 -3.060 -2.203 1.00 1.00 C ATOM 762 OE1 GLU A 49 -8.203 -2.726 -1.635 1.00 1.00 O ATOM 763 OE2 GLU A 49 -9.426 -2.911 -3.398 1.00 1.00 O ATOM 0 H GLU A 49 -10.955 -3.328 1.239 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.607 -5.698 -0.135 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.976 -4.189 0.244 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -9.197 -5.487 -0.913 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -11.035 -4.219 -2.021 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.888 -2.937 -0.835 1.00 1.00 H new ATOM 770 N VAL A 50 -9.574 -5.973 2.450 1.00 1.00 N ATOM 771 CA VAL A 50 -8.962 -6.926 3.368 1.00 1.00 C ATOM 772 C VAL A 50 -10.035 -7.791 4.028 1.00 1.00 C ATOM 773 O VAL A 50 -9.875 -9.000 4.163 1.00 1.00 O ATOM 774 CB VAL A 50 -8.184 -6.180 4.452 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.597 -7.176 5.457 1.00 1.00 C ATOM 776 CG2 VAL A 50 -7.053 -5.357 3.814 1.00 1.00 C ATOM 0 H VAL A 50 -9.457 -4.994 2.712 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.283 -7.564 2.802 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.864 -5.507 4.974 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -7.045 -6.635 6.225 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.404 -7.743 5.922 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -6.924 -7.860 4.940 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.504 -4.829 4.593 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.375 -6.023 3.280 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.477 -4.635 3.116 1.00 1.00 H new ATOM 786 N GLU A 51 -11.127 -7.155 4.445 1.00 1.00 N ATOM 787 CA GLU A 51 -12.215 -7.873 5.105 1.00 1.00 C ATOM 788 C GLU A 51 -12.737 -8.990 4.221 1.00 1.00 C ATOM 789 O GLU A 51 -13.388 -9.919 4.698 1.00 1.00 O ATOM 790 CB GLU A 51 -13.360 -6.909 5.443 1.00 1.00 C ATOM 791 CG GLU A 51 -12.928 -5.930 6.544 1.00 1.00 C ATOM 792 CD GLU A 51 -12.677 -6.680 7.846 1.00 1.00 C ATOM 793 OE1 GLU A 51 -13.204 -7.770 7.990 1.00 1.00 O ATOM 794 OE2 GLU A 51 -11.965 -6.150 8.684 1.00 1.00 O ATOM 0 H GLU A 51 -11.282 -6.152 4.339 1.00 1.00 H new ATOM 0 HA GLU A 51 -11.824 -8.306 6.026 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.654 -6.356 4.551 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.234 -7.473 5.771 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -12.023 -5.404 6.239 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.700 -5.176 6.693 1.00 1.00 H new ATOM 801 N LYS A 52 -12.448 -8.894 2.934 1.00 1.00 N ATOM 802 CA LYS A 52 -12.890 -9.901 1.983 1.00 1.00 C ATOM 803 C LYS A 52 -12.236 -11.226 2.332 1.00 1.00 C ATOM 804 O LYS A 52 -12.854 -12.288 2.249 1.00 1.00 O ATOM 805 CB LYS A 52 -12.454 -9.512 0.573 1.00 1.00 C ATOM 806 CG LYS A 52 -12.886 -8.086 0.244 1.00 1.00 C ATOM 807 CD LYS A 52 -14.394 -8.004 0.075 1.00 1.00 C ATOM 808 CE LYS A 52 -14.763 -6.598 -0.374 1.00 1.00 C ATOM 809 NZ LYS A 52 -14.315 -6.390 -1.780 1.00 1.00 N ATOM 0 H LYS A 52 -11.910 -8.131 2.524 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.976 -9.981 2.025 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -11.371 -9.597 0.486 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -12.887 -10.203 -0.150 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -12.568 -7.412 1.039 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -12.395 -7.754 -0.671 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -14.731 -8.735 -0.660 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -14.892 -8.243 1.015 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -15.841 -6.452 -0.299 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -14.296 -5.862 0.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -14.865 -5.619 -2.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -13.305 -6.142 -1.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -14.461 -7.264 -2.324 1.00 1.00 H new ATOM 823 N MET A 53 -10.962 -11.147 2.695 1.00 1.00 N ATOM 824 CA MET A 53 -10.200 -12.336 3.032 1.00 1.00 C ATOM 825 C MET A 53 -10.311 -13.364 1.913 1.00 1.00 C ATOM 826 O MET A 53 -10.583 -14.541 2.154 1.00 1.00 O ATOM 827 CB MET A 53 -10.707 -12.934 4.345 1.00 1.00 C ATOM 828 CG MET A 53 -10.265 -12.044 5.513 1.00 1.00 C ATOM 829 SD MET A 53 -8.484 -12.262 5.779 1.00 1.00 S ATOM 830 CE MET A 53 -8.013 -10.514 5.858 1.00 1.00 C ATOM 0 H MET A 53 -10.439 -10.274 2.763 1.00 1.00 H new ATOM 0 HA MET A 53 -9.153 -12.058 3.154 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.794 -13.014 4.325 1.00 1.00 H new ATOM 0 HB3 MET A 53 -10.315 -13.943 4.473 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.488 -10.999 5.296 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.816 -12.307 6.416 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.114 -10.406 6.465 1.00 1.00 H new ATOM 0 HE2 MET A 53 -7.818 -10.144 4.852 1.00 1.00 H new ATOM 0 HE3 MET A 53 -8.824 -9.939 6.305 1.00 1.00 H new ATOM 840 N SER A 54 -10.103 -12.899 0.685 1.00 1.00 N ATOM 841 CA SER A 54 -10.175 -13.769 -0.485 1.00 1.00 C ATOM 842 C SER A 54 -8.833 -14.460 -0.714 1.00 1.00 C ATOM 843 O SER A 54 -7.880 -14.246 0.036 1.00 1.00 O ATOM 844 CB SER A 54 -10.552 -12.948 -1.720 1.00 1.00 C ATOM 845 OG SER A 54 -10.506 -13.780 -2.872 1.00 1.00 O ATOM 0 H SER A 54 -9.883 -11.926 0.474 1.00 1.00 H new ATOM 0 HA SER A 54 -10.937 -14.529 -0.311 1.00 1.00 H new ATOM 0 HB2 SER A 54 -11.551 -12.529 -1.600 1.00 1.00 H new ATOM 0 HB3 SER A 54 -9.866 -12.109 -1.836 1.00 1.00 H new ATOM 0 HG SER A 54 -9.665 -13.628 -3.352 1.00 1.00 H new ATOM 851 N LYS A 55 -8.759 -15.288 -1.752 1.00 1.00 N ATOM 852 CA LYS A 55 -7.522 -15.994 -2.060 1.00 1.00 C ATOM 853 C LYS A 55 -6.401 -14.998 -2.339 1.00 1.00 C ATOM 854 O LYS A 55 -5.276 -15.186 -1.895 1.00 1.00 O ATOM 855 CB LYS A 55 -7.717 -16.911 -3.274 1.00 1.00 C ATOM 856 CG LYS A 55 -6.443 -17.726 -3.502 1.00 1.00 C ATOM 857 CD LYS A 55 -6.648 -18.697 -4.668 1.00 1.00 C ATOM 858 CE LYS A 55 -5.382 -19.526 -4.868 1.00 1.00 C ATOM 859 NZ LYS A 55 -4.279 -18.654 -5.362 1.00 1.00 N ATOM 0 H LYS A 55 -9.532 -15.485 -2.387 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.250 -16.603 -1.198 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.564 -17.577 -3.109 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -7.946 -16.318 -4.159 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -5.607 -17.059 -3.715 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -6.187 -18.278 -2.598 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -7.496 -19.351 -4.466 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -6.882 -18.145 -5.578 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -5.093 -19.997 -3.928 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -5.571 -20.328 -5.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -3.616 -19.221 -5.928 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -4.675 -17.893 -5.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -3.776 -18.239 -4.552 1.00 1.00 H new ATOM 873 N LYS A 56 -6.722 -13.941 -3.071 1.00 1.00 N ATOM 874 CA LYS A 56 -5.740 -12.916 -3.413 1.00 1.00 C ATOM 875 C LYS A 56 -5.155 -12.279 -2.153 1.00 1.00 C ATOM 876 O LYS A 56 -3.944 -12.080 -2.065 1.00 1.00 O ATOM 877 CB LYS A 56 -6.411 -11.842 -4.289 1.00 1.00 C ATOM 878 CG LYS A 56 -6.455 -12.290 -5.755 1.00 1.00 C ATOM 879 CD LYS A 56 -7.365 -13.511 -5.924 1.00 1.00 C ATOM 880 CE LYS A 56 -7.520 -13.807 -7.416 1.00 1.00 C ATOM 881 NZ LYS A 56 -6.172 -14.003 -8.023 1.00 1.00 N ATOM 0 H LYS A 56 -7.657 -13.768 -3.441 1.00 1.00 H new ATOM 0 HA LYS A 56 -4.923 -13.380 -3.965 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -7.423 -11.653 -3.931 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.863 -10.903 -4.206 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -6.816 -11.473 -6.379 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -5.448 -12.531 -6.097 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -6.939 -14.373 -5.410 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -8.339 -13.321 -5.474 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -8.129 -14.699 -7.560 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -8.038 -12.984 -7.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -6.272 -14.463 -8.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -5.708 -13.080 -8.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -5.595 -14.603 -7.400 1.00 1.00 H new ATOM 895 N MET A 57 -6.000 -11.985 -1.174 1.00 1.00 N ATOM 896 CA MET A 57 -5.526 -11.401 0.073 1.00 1.00 C ATOM 897 C MET A 57 -4.574 -12.377 0.765 1.00 1.00 C ATOM 898 O MET A 57 -3.569 -11.975 1.355 1.00 1.00 O ATOM 899 CB MET A 57 -6.729 -11.086 0.996 1.00 1.00 C ATOM 900 CG MET A 57 -6.596 -9.691 1.637 1.00 1.00 C ATOM 901 SD MET A 57 -4.915 -9.438 2.275 1.00 1.00 S ATOM 902 CE MET A 57 -5.060 -10.390 3.807 1.00 1.00 C ATOM 0 H MET A 57 -7.007 -12.139 -1.218 1.00 1.00 H new ATOM 0 HA MET A 57 -4.994 -10.474 -0.140 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.654 -11.137 0.421 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.797 -11.842 1.778 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.831 -8.923 0.900 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.318 -9.587 2.447 1.00 1.00 H new ATOM 0 HE1 MET A 57 -4.068 -10.687 4.146 1.00 1.00 H new ATOM 0 HE2 MET A 57 -5.537 -9.777 4.572 1.00 1.00 H new ATOM 0 HE3 MET A 57 -5.663 -11.280 3.627 1.00 1.00 H new ATOM 912 N GLU A 58 -4.920 -13.655 0.695 1.00 1.00 N ATOM 913 CA GLU A 58 -4.136 -14.705 1.312 1.00 1.00 C ATOM 914 C GLU A 58 -2.715 -14.705 0.737 1.00 1.00 C ATOM 915 O GLU A 58 -1.748 -14.965 1.449 1.00 1.00 O ATOM 916 CB GLU A 58 -4.875 -16.051 1.061 1.00 1.00 C ATOM 917 CG GLU A 58 -3.959 -17.113 0.450 1.00 1.00 C ATOM 918 CD GLU A 58 -4.690 -18.452 0.393 1.00 1.00 C ATOM 919 OE1 GLU A 58 -5.758 -18.544 0.975 1.00 1.00 O ATOM 920 OE2 GLU A 58 -4.171 -19.364 -0.229 1.00 1.00 O ATOM 0 H GLU A 58 -5.752 -13.988 0.208 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.036 -14.549 2.386 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.279 -16.422 2.003 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -5.722 -15.879 0.396 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -3.654 -16.811 -0.552 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -3.050 -17.209 1.044 1.00 1.00 H new ATOM 927 N GLU A 59 -2.601 -14.424 -0.556 1.00 1.00 N ATOM 928 CA GLU A 59 -1.295 -14.403 -1.222 1.00 1.00 C ATOM 929 C GLU A 59 -0.431 -13.300 -0.631 1.00 1.00 C ATOM 930 O GLU A 59 0.755 -13.488 -0.378 1.00 1.00 O ATOM 931 CB GLU A 59 -1.490 -14.142 -2.718 1.00 1.00 C ATOM 932 CG GLU A 59 -2.443 -15.201 -3.315 1.00 1.00 C ATOM 933 CD GLU A 59 -1.681 -16.414 -3.853 1.00 1.00 C ATOM 934 OE1 GLU A 59 -0.465 -16.361 -3.919 1.00 1.00 O ATOM 935 OE2 GLU A 59 -2.337 -17.387 -4.189 1.00 1.00 O ATOM 0 H GLU A 59 -3.390 -14.208 -1.165 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.804 -15.365 -1.076 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.899 -13.144 -2.872 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.529 -14.175 -3.230 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -3.150 -15.525 -2.551 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.026 -14.753 -4.119 1.00 1.00 H new ATOM 942 N VAL A 60 -1.050 -12.151 -0.400 1.00 1.00 N ATOM 943 CA VAL A 60 -0.348 -11.011 0.184 1.00 1.00 C ATOM 944 C VAL A 60 0.107 -11.389 1.591 1.00 1.00 C ATOM 945 O VAL A 60 1.242 -11.133 1.994 1.00 1.00 O ATOM 946 CB VAL A 60 -1.306 -9.813 0.249 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.609 -8.578 0.827 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.819 -9.489 -1.156 1.00 1.00 C ATOM 0 H VAL A 60 -2.034 -11.981 -0.606 1.00 1.00 H new ATOM 0 HA VAL A 60 0.518 -10.745 -0.422 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.138 -10.079 0.901 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.312 -7.746 0.861 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.257 -8.797 1.835 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.239 -8.311 0.197 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.499 -8.638 -1.108 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.977 -9.244 -1.803 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -2.347 -10.353 -1.559 1.00 1.00 H new ATOM 958 N LYS A 61 -0.808 -12.014 2.318 1.00 1.00 N ATOM 959 CA LYS A 61 -0.562 -12.469 3.685 1.00 1.00 C ATOM 960 C LYS A 61 0.554 -13.512 3.752 1.00 1.00 C ATOM 961 O LYS A 61 1.461 -13.406 4.577 1.00 1.00 O ATOM 962 CB LYS A 61 -1.879 -13.068 4.181 1.00 1.00 C ATOM 963 CG LYS A 61 -1.736 -13.763 5.534 1.00 1.00 C ATOM 964 CD LYS A 61 -3.094 -14.355 5.906 1.00 1.00 C ATOM 965 CE LYS A 61 -2.992 -15.087 7.237 1.00 1.00 C ATOM 966 NZ LYS A 61 -2.213 -16.342 7.052 1.00 1.00 N ATOM 0 H LYS A 61 -1.747 -12.222 1.978 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.234 -11.635 4.305 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -2.626 -12.278 4.260 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.248 -13.784 3.446 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -0.980 -14.547 5.482 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.408 -13.054 6.294 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.840 -13.563 5.973 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.427 -15.042 5.128 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.508 -14.451 7.978 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -3.988 -15.317 7.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -2.366 -16.969 7.867 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.527 -16.821 6.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.201 -16.114 6.976 1.00 1.00 H new ATOM 980 N ALA A 62 0.478 -14.512 2.889 1.00 1.00 N ATOM 981 CA ALA A 62 1.483 -15.566 2.873 1.00 1.00 C ATOM 982 C ALA A 62 2.778 -15.062 2.254 1.00 1.00 C ATOM 983 O ALA A 62 3.835 -15.672 2.408 1.00 1.00 O ATOM 984 CB ALA A 62 0.959 -16.764 2.080 1.00 1.00 C ATOM 0 H ALA A 62 -0.262 -14.617 2.195 1.00 1.00 H new ATOM 0 HA ALA A 62 1.687 -15.871 3.899 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.713 -17.551 2.070 1.00 1.00 H new ATOM 0 HB2 ALA A 62 0.049 -17.140 2.547 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.742 -16.456 1.057 1.00 1.00 H new ATOM 990 N ALA A 63 2.687 -13.936 1.561 1.00 1.00 N ATOM 991 CA ALA A 63 3.851 -13.339 0.923 1.00 1.00 C ATOM 992 C ALA A 63 4.538 -12.400 1.900 1.00 1.00 C ATOM 993 O ALA A 63 5.572 -11.810 1.587 1.00 1.00 O ATOM 994 CB ALA A 63 3.430 -12.576 -0.333 1.00 1.00 C ATOM 0 H ALA A 63 1.819 -13.418 1.426 1.00 1.00 H new ATOM 0 HA ALA A 63 4.546 -14.127 0.633 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.309 -12.134 -0.802 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.952 -13.262 -1.032 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.728 -11.787 -0.062 1.00 1.00 H new ATOM 1000 N ASN A 64 3.946 -12.273 3.089 1.00 1.00 N ATOM 1001 CA ASN A 64 4.495 -11.414 4.126 1.00 1.00 C ATOM 1002 C ASN A 64 4.615 -9.980 3.637 1.00 1.00 C ATOM 1003 O ASN A 64 5.687 -9.379 3.693 1.00 1.00 O ATOM 1004 CB ASN A 64 5.871 -11.938 4.569 1.00 1.00 C ATOM 1005 CG ASN A 64 5.712 -13.120 5.523 1.00 1.00 C ATOM 1006 OD1 ASN A 64 4.733 -13.131 6.385 1.00 1.00 O flip ATOM 1007 ND2 ASN A 64 6.511 -14.058 5.486 1.00 1.00 N flip ATOM 0 H ASN A 64 3.087 -12.756 3.352 1.00 1.00 H new ATOM 0 HA ASN A 64 3.815 -11.428 4.978 1.00 1.00 H new ATOM 0 HB2 ASN A 64 6.449 -12.243 3.696 1.00 1.00 H new ATOM 0 HB3 ASN A 64 6.430 -11.141 5.059 1.00 1.00 H new ATOM 0 HD21 ASN A 64 7.277 -14.050 4.812 1.00 1.00 H new ATOM 0 HD22 ASN A 64 6.407 -14.843 6.129 1.00 1.00 H new ATOM 1014 N VAL A 65 3.495 -9.429 3.175 1.00 1.00 N ATOM 1015 CA VAL A 65 3.460 -8.057 2.696 1.00 1.00 C ATOM 1016 C VAL A 65 2.426 -7.283 3.491 1.00 1.00 C ATOM 1017 O VAL A 65 1.258 -7.661 3.538 1.00 1.00 O ATOM 1018 CB VAL A 65 3.054 -8.059 1.227 1.00 1.00 C ATOM 1019 CG1 VAL A 65 2.824 -6.629 0.732 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.146 -8.731 0.405 1.00 1.00 C ATOM 0 H VAL A 65 2.600 -9.916 3.124 1.00 1.00 H new ATOM 0 HA VAL A 65 4.441 -7.596 2.813 1.00 1.00 H new ATOM 0 HB VAL A 65 2.122 -8.612 1.114 1.00 1.00 H new ATOM 0 HG11 VAL A 65 2.535 -6.650 -0.319 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.031 -6.164 1.318 1.00 1.00 H new ATOM 0 HG13 VAL A 65 3.743 -6.053 0.844 1.00 1.00 H new ATOM 0 HG21 VAL A 65 3.860 -8.735 -0.647 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.081 -8.183 0.525 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.280 -9.757 0.748 1.00 1.00 H new ATOM 1030 N ARG A 66 2.843 -6.189 4.098 1.00 1.00 N ATOM 1031 CA ARG A 66 1.916 -5.381 4.868 1.00 1.00 C ATOM 1032 C ARG A 66 0.976 -4.693 3.890 1.00 1.00 C ATOM 1033 O ARG A 66 1.320 -4.509 2.721 1.00 1.00 O ATOM 1034 CB ARG A 66 2.672 -4.335 5.689 1.00 1.00 C ATOM 1035 CG ARG A 66 1.771 -3.768 6.791 1.00 1.00 C ATOM 1036 CD ARG A 66 2.524 -2.662 7.530 1.00 1.00 C ATOM 1037 NE ARG A 66 3.716 -3.210 8.169 1.00 1.00 N ATOM 1038 CZ ARG A 66 3.671 -3.746 9.388 1.00 1.00 C ATOM 1039 NH1 ARG A 66 2.566 -3.720 10.079 1.00 1.00 N ATOM 1040 NH2 ARG A 66 4.742 -4.283 9.900 1.00 1.00 N ATOM 0 H ARG A 66 3.802 -5.843 4.075 1.00 1.00 H new ATOM 0 HA ARG A 66 1.356 -6.010 5.560 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.561 -4.784 6.132 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.013 -3.529 5.038 1.00 1.00 H new ATOM 0 HG2 ARG A 66 0.851 -3.373 6.359 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.484 -4.557 7.486 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.806 -1.874 6.832 1.00 1.00 H new ATOM 0 HD3 ARG A 66 1.876 -2.208 8.279 1.00 1.00 H new ATOM 0 HE ARG A 66 4.605 -3.182 7.670 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.729 -3.288 9.687 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.538 -4.132 11.012 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.612 -4.292 9.368 1.00 1.00 H new ATOM 0 HH22 ARG A 66 4.710 -4.694 10.833 1.00 1.00 H new ATOM 1054 N VAL A 67 -0.196 -4.313 4.357 1.00 1.00 N ATOM 1055 CA VAL A 67 -1.179 -3.646 3.505 1.00 1.00 C ATOM 1056 C VAL A 67 -1.275 -2.187 3.909 1.00 1.00 C ATOM 1057 O VAL A 67 -1.390 -1.877 5.086 1.00 1.00 O ATOM 1058 CB VAL A 67 -2.541 -4.329 3.674 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.655 -3.469 3.056 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -2.501 -5.702 2.992 1.00 1.00 C ATOM 0 H VAL A 67 -0.498 -4.452 5.321 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.875 -3.711 2.460 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.752 -4.451 4.736 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.615 -3.969 3.185 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.682 -2.498 3.551 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -3.459 -3.329 1.993 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -3.467 -6.194 3.108 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -2.283 -5.575 1.931 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.724 -6.314 3.451 1.00 1.00 H new ATOM 1070 N VAL A 68 -1.213 -1.285 2.933 1.00 1.00 N ATOM 1071 CA VAL A 68 -1.275 0.148 3.224 1.00 1.00 C ATOM 1072 C VAL A 68 -2.396 0.821 2.449 1.00 1.00 C ATOM 1073 O VAL A 68 -2.638 0.517 1.281 1.00 1.00 O ATOM 1074 CB VAL A 68 0.075 0.820 2.899 1.00 1.00 C ATOM 1075 CG1 VAL A 68 0.254 0.979 1.380 1.00 1.00 C ATOM 1076 CG2 VAL A 68 0.120 2.201 3.561 1.00 1.00 C ATOM 0 H VAL A 68 -1.121 -1.515 1.944 1.00 1.00 H new ATOM 0 HA VAL A 68 -1.483 0.265 4.288 1.00 1.00 H new ATOM 0 HB VAL A 68 0.880 0.192 3.280 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.213 1.455 1.174 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.227 -0.002 0.906 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -0.551 1.597 0.982 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.072 2.682 3.335 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -0.696 2.814 3.179 1.00 1.00 H new ATOM 0 HG23 VAL A 68 0.016 2.091 4.640 1.00 1.00 H new ATOM 1086 N CYS A 69 -3.072 1.742 3.116 1.00 1.00 N ATOM 1087 CA CYS A 69 -4.165 2.473 2.506 1.00 1.00 C ATOM 1088 C CYS A 69 -3.641 3.397 1.401 1.00 1.00 C ATOM 1089 O CYS A 69 -2.477 3.803 1.418 1.00 1.00 O ATOM 1090 CB CYS A 69 -4.907 3.258 3.600 1.00 1.00 C ATOM 1091 SG CYS A 69 -4.151 4.890 3.835 1.00 1.00 S ATOM 0 H CYS A 69 -2.880 2.000 4.084 1.00 1.00 H new ATOM 0 HA CYS A 69 -4.863 1.779 2.037 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -5.956 3.373 3.326 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -4.882 2.701 4.536 1.00 1.00 H new ATOM 0 HG CYS A 69 -3.904 5.076 5.098 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.502 3.697 0.433 1.00 1.00 N ATOM 1098 CA GLU A 70 -4.139 4.540 -0.702 1.00 1.00 C ATOM 1099 C GLU A 70 -3.828 5.974 -0.271 1.00 1.00 C ATOM 1100 O GLU A 70 -2.986 6.640 -0.875 1.00 1.00 O ATOM 1101 CB GLU A 70 -5.282 4.545 -1.716 1.00 1.00 C ATOM 1102 CG GLU A 70 -4.863 5.347 -2.943 1.00 1.00 C ATOM 1103 CD GLU A 70 -5.946 5.273 -4.014 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -7.059 4.903 -3.680 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -5.638 5.570 -5.159 1.00 1.00 O ATOM 0 H GLU A 70 -5.466 3.365 0.413 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.236 4.127 -1.152 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.533 3.524 -2.003 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -6.177 4.980 -1.271 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.687 6.386 -2.665 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.924 4.959 -3.337 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.522 6.449 0.754 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.318 7.810 1.231 1.00 1.00 C ATOM 1114 C ASP A 71 -2.870 7.986 1.655 1.00 1.00 C ATOM 1115 O ASP A 71 -2.392 9.104 1.836 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.231 8.086 2.429 1.00 1.00 C ATOM 1117 CG ASP A 71 -6.690 8.161 1.983 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -6.920 8.292 0.793 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -7.553 8.076 2.840 1.00 1.00 O ATOM 0 H ASP A 71 -5.225 5.918 1.267 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.555 8.508 0.428 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -5.112 7.299 3.173 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -4.942 9.022 2.906 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.178 6.866 1.796 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.776 6.877 2.180 1.00 1.00 C ATOM 1126 C PHE A 72 0.062 7.648 1.172 1.00 1.00 C ATOM 1127 O PHE A 72 0.958 8.406 1.546 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.236 5.460 2.272 1.00 1.00 C ATOM 1129 CG PHE A 72 1.213 5.515 2.690 1.00 1.00 C ATOM 1130 CD1 PHE A 72 2.214 5.732 1.729 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.563 5.347 4.039 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.556 5.777 2.115 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.908 5.396 4.424 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.905 5.611 3.464 1.00 1.00 C ATOM 0 H PHE A 72 -2.567 5.935 1.649 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.711 7.364 3.153 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.815 4.882 2.993 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.332 4.957 1.310 1.00 1.00 H new ATOM 0 HD1 PHE A 72 1.946 5.864 0.691 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.795 5.180 4.780 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.325 5.940 1.375 1.00 1.00 H new ATOM 0 HE2 PHE A 72 3.177 5.268 5.462 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.942 5.649 3.762 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.213 7.435 -0.111 1.00 1.00 N ATOM 1145 CA LEU A 73 0.561 8.100 -1.148 1.00 1.00 C ATOM 1146 C LEU A 73 0.434 9.601 -0.974 1.00 1.00 C ATOM 1147 O LEU A 73 1.411 10.340 -1.095 1.00 1.00 O ATOM 1148 CB LEU A 73 0.024 7.734 -2.533 1.00 1.00 C ATOM 1149 CG LEU A 73 0.223 6.242 -2.814 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.484 5.892 -4.125 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.723 5.907 -2.925 1.00 1.00 C ATOM 0 H LEU A 73 -0.952 6.819 -0.451 1.00 1.00 H new ATOM 0 HA LEU A 73 1.601 7.784 -1.064 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.035 7.983 -2.595 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.535 8.324 -3.294 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.197 5.660 -1.993 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.351 4.831 -4.338 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.548 6.113 -4.035 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.058 6.482 -4.937 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.844 4.842 -3.125 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.165 6.482 -3.739 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.222 6.160 -1.990 1.00 1.00 H new ATOM 1163 N GLN A 74 -0.776 10.045 -0.686 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.030 11.457 -0.487 1.00 1.00 C ATOM 1165 C GLN A 74 -0.444 11.945 0.839 1.00 1.00 C ATOM 1166 O GLN A 74 -0.007 13.089 0.948 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.534 11.720 -0.562 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.070 11.241 -1.942 1.00 1.00 C ATOM 1169 CD GLN A 74 -3.997 10.039 -1.793 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -3.670 8.912 -2.367 1.00 1.00 O flip ATOM 1171 NE2 GLN A 74 -5.046 10.133 -1.155 1.00 1.00 N flip ATOM 0 H GLN A 74 -1.596 9.447 -0.585 1.00 1.00 H new ATOM 0 HA GLN A 74 -0.535 12.020 -1.279 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.048 11.195 0.243 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -2.736 12.783 -0.429 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.605 12.056 -2.429 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -2.232 10.978 -2.588 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.295 11.016 -0.710 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.666 9.328 -1.072 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.451 11.076 1.847 1.00 1.00 N ATOM 1181 CA ASP A 75 0.076 11.445 3.163 1.00 1.00 C ATOM 1182 C ASP A 75 1.573 11.732 3.103 1.00 1.00 C ATOM 1183 O ASP A 75 2.031 12.745 3.616 1.00 1.00 O ATOM 1184 CB ASP A 75 -0.186 10.329 4.168 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.674 10.267 4.495 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.386 11.170 4.086 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -2.081 9.324 5.152 1.00 1.00 O ATOM 0 H ASP A 75 -0.810 10.123 1.783 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.437 12.353 3.481 1.00 1.00 H new ATOM 0 HB2 ASP A 75 0.146 9.374 3.760 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.389 10.504 5.078 1.00 1.00 H new ATOM 1192 N VAL A 76 2.344 10.856 2.469 1.00 1.00 N ATOM 1193 CA VAL A 76 3.777 11.096 2.375 1.00 1.00 C ATOM 1194 C VAL A 76 4.031 12.314 1.506 1.00 1.00 C ATOM 1195 O VAL A 76 4.909 13.128 1.790 1.00 1.00 O ATOM 1196 CB VAL A 76 4.514 9.882 1.804 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.383 8.705 2.771 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.921 9.493 0.448 1.00 1.00 C ATOM 0 H VAL A 76 2.014 9.999 2.025 1.00 1.00 H new ATOM 0 HA VAL A 76 4.160 11.273 3.380 1.00 1.00 H new ATOM 0 HB VAL A 76 5.566 10.136 1.672 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.908 7.840 2.365 1.00 1.00 H new ATOM 0 HG12 VAL A 76 4.818 8.974 3.733 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.329 8.460 2.905 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.454 8.628 0.052 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.867 9.245 0.570 1.00 1.00 H new ATOM 0 HG23 VAL A 76 4.020 10.328 -0.245 1.00 1.00 H new ATOM 1208 N SER A 77 3.248 12.429 0.442 1.00 1.00 N ATOM 1209 CA SER A 77 3.386 13.556 -0.475 1.00 1.00 C ATOM 1210 C SER A 77 3.116 14.873 0.248 1.00 1.00 C ATOM 1211 O SER A 77 3.833 15.854 0.056 1.00 1.00 O ATOM 1212 CB SER A 77 2.400 13.419 -1.629 1.00 1.00 C ATOM 1213 OG SER A 77 2.309 14.658 -2.318 1.00 1.00 O ATOM 0 H SER A 77 2.517 11.763 0.192 1.00 1.00 H new ATOM 0 HA SER A 77 4.406 13.555 -0.858 1.00 1.00 H new ATOM 0 HB2 SER A 77 2.727 12.634 -2.311 1.00 1.00 H new ATOM 0 HB3 SER A 77 1.420 13.126 -1.252 1.00 1.00 H new ATOM 0 HG SER A 77 1.677 14.573 -3.062 1.00 1.00 H new ATOM 1219 N ALA A 78 2.059 14.890 1.063 1.00 1.00 N ATOM 1220 CA ALA A 78 1.674 16.096 1.801 1.00 1.00 C ATOM 1221 C ALA A 78 2.283 16.107 3.197 1.00 1.00 C ATOM 1222 O ALA A 78 3.133 16.944 3.505 1.00 1.00 O ATOM 1223 CB ALA A 78 0.150 16.166 1.915 1.00 1.00 C ATOM 0 H ALA A 78 1.455 14.085 1.229 1.00 1.00 H new ATOM 0 HA ALA A 78 2.049 16.961 1.254 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.133 17.064 2.464 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -0.288 16.198 0.918 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.216 15.286 2.444 1.00 1.00 H new ATOM 1229 N SER A 79 1.833 15.180 4.042 1.00 1.00 N ATOM 1230 CA SER A 79 2.327 15.099 5.411 1.00 1.00 C ATOM 1231 C SER A 79 3.808 14.745 5.417 1.00 1.00 C ATOM 1232 O SER A 79 4.276 13.971 4.582 1.00 1.00 O ATOM 1233 CB SER A 79 1.543 14.042 6.191 1.00 1.00 C ATOM 1234 OG SER A 79 0.155 14.199 5.919 1.00 1.00 O ATOM 0 H SER A 79 1.131 14.480 3.802 1.00 1.00 H new ATOM 0 HA SER A 79 2.191 16.070 5.887 1.00 1.00 H new ATOM 0 HB2 SER A 79 1.872 13.043 5.905 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.731 14.146 7.260 1.00 1.00 H new ATOM 0 HG SER A 79 -0.354 13.524 6.414 1.00 1.00 H new ATOM 1240 N ALA A 80 4.549 15.330 6.358 1.00 1.00 N ATOM 1241 CA ALA A 80 5.991 15.090 6.460 1.00 1.00 C ATOM 1242 C ALA A 80 6.362 14.462 7.800 1.00 1.00 C ATOM 1243 O ALA A 80 7.483 14.636 8.279 1.00 1.00 O ATOM 1244 CB ALA A 80 6.739 16.412 6.284 1.00 1.00 C ATOM 0 H ALA A 80 4.178 15.971 7.059 1.00 1.00 H new ATOM 0 HA ALA A 80 6.276 14.391 5.674 1.00 1.00 H new ATOM 0 HB1 ALA A 80 7.812 16.236 6.360 1.00 1.00 H new ATOM 0 HB2 ALA A 80 6.508 16.833 5.305 1.00 1.00 H new ATOM 0 HB3 ALA A 80 6.430 17.111 7.061 1.00 1.00 H new ATOM 1250 N LYS A 81 5.430 13.727 8.405 1.00 1.00 N ATOM 1251 CA LYS A 81 5.711 13.088 9.689 1.00 1.00 C ATOM 1252 C LYS A 81 6.657 11.918 9.508 1.00 1.00 C ATOM 1253 O LYS A 81 7.307 11.763 8.475 1.00 1.00 O ATOM 1254 CB LYS A 81 4.441 12.549 10.348 1.00 1.00 C ATOM 1255 CG LYS A 81 3.373 13.625 10.395 1.00 1.00 C ATOM 1256 CD LYS A 81 2.232 13.183 11.322 1.00 1.00 C ATOM 1257 CE LYS A 81 1.553 11.928 10.762 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.260 11.706 11.466 1.00 1.00 N ATOM 0 H LYS A 81 4.493 13.561 8.037 1.00 1.00 H new ATOM 0 HA LYS A 81 6.156 13.856 10.322 1.00 1.00 H new ATOM 0 HB2 LYS A 81 4.073 11.686 9.792 1.00 1.00 H new ATOM 0 HB3 LYS A 81 4.665 12.206 11.358 1.00 1.00 H new ATOM 0 HG2 LYS A 81 3.802 14.561 10.752 1.00 1.00 H new ATOM 0 HG3 LYS A 81 2.988 13.812 9.393 1.00 1.00 H new ATOM 0 HD2 LYS A 81 2.622 12.980 12.320 1.00 1.00 H new ATOM 0 HD3 LYS A 81 1.502 13.987 11.422 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.381 12.042 9.692 1.00 1.00 H new ATOM 0 HE3 LYS A 81 2.203 11.062 10.891 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -0.200 10.854 11.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 0.436 11.580 12.483 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -0.360 12.529 11.321 1.00 1.00 H new ATOM 1272 N SER A 82 6.698 11.097 10.540 1.00 1.00 N ATOM 1273 CA SER A 82 7.534 9.901 10.545 1.00 1.00 C ATOM 1274 C SER A 82 6.886 8.793 9.724 1.00 1.00 C ATOM 1275 O SER A 82 5.660 8.654 9.698 1.00 1.00 O ATOM 1276 CB SER A 82 7.764 9.414 11.976 1.00 1.00 C ATOM 1277 OG SER A 82 8.473 8.184 11.937 1.00 1.00 O ATOM 0 H SER A 82 6.159 11.234 11.395 1.00 1.00 H new ATOM 0 HA SER A 82 8.495 10.157 10.099 1.00 1.00 H new ATOM 0 HB2 SER A 82 8.329 10.156 12.540 1.00 1.00 H new ATOM 0 HB3 SER A 82 6.810 9.283 12.487 1.00 1.00 H new ATOM 0 HG SER A 82 8.626 7.866 12.851 1.00 1.00 H new ATOM 1283 N LEU A 83 7.720 8.012 9.059 1.00 1.00 N ATOM 1284 CA LEU A 83 7.248 6.908 8.233 1.00 1.00 C ATOM 1285 C LEU A 83 6.540 5.858 9.072 1.00 1.00 C ATOM 1286 O LEU A 83 5.496 5.342 8.684 1.00 1.00 O ATOM 1287 CB LEU A 83 8.461 6.270 7.564 1.00 1.00 C ATOM 1288 CG LEU A 83 9.070 7.240 6.524 1.00 1.00 C ATOM 1289 CD1 LEU A 83 10.590 7.082 6.509 1.00 1.00 C ATOM 1290 CD2 LEU A 83 8.516 6.933 5.126 1.00 1.00 C ATOM 0 H LEU A 83 8.734 8.121 9.074 1.00 1.00 H new ATOM 0 HA LEU A 83 6.541 7.289 7.496 1.00 1.00 H new ATOM 0 HB2 LEU A 83 9.208 6.016 8.316 1.00 1.00 H new ATOM 0 HB3 LEU A 83 8.169 5.340 7.077 1.00 1.00 H new ATOM 0 HG LEU A 83 8.806 8.262 6.797 1.00 1.00 H new ATOM 0 HD11 LEU A 83 11.020 7.765 5.776 1.00 1.00 H new ATOM 0 HD12 LEU A 83 10.989 7.311 7.497 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.847 6.057 6.243 1.00 1.00 H new ATOM 0 HD21 LEU A 83 8.952 7.622 4.403 1.00 1.00 H new ATOM 0 HD22 LEU A 83 8.770 5.909 4.851 1.00 1.00 H new ATOM 0 HD23 LEU A 83 7.432 7.049 5.131 1.00 1.00 H new ATOM 1302 N GLN A 84 7.135 5.545 10.214 1.00 1.00 N ATOM 1303 CA GLN A 84 6.583 4.537 11.115 1.00 1.00 C ATOM 1304 C GLN A 84 5.246 4.977 11.715 1.00 1.00 C ATOM 1305 O GLN A 84 4.321 4.176 11.840 1.00 1.00 O ATOM 1306 CB GLN A 84 7.582 4.259 12.240 1.00 1.00 C ATOM 1307 CG GLN A 84 8.876 3.687 11.646 1.00 1.00 C ATOM 1308 CD GLN A 84 8.605 2.322 11.017 1.00 1.00 C ATOM 1309 OE1 GLN A 84 8.220 1.383 11.714 1.00 1.00 O ATOM 1310 NE2 GLN A 84 8.761 2.160 9.732 1.00 1.00 N ATOM 0 H GLN A 84 8.001 5.974 10.541 1.00 1.00 H new ATOM 0 HA GLN A 84 6.404 3.632 10.535 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.795 5.178 12.787 1.00 1.00 H new ATOM 0 HB3 GLN A 84 7.155 3.555 12.954 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.274 4.370 10.895 1.00 1.00 H new ATOM 0 HG3 GLN A 84 9.633 3.594 12.425 1.00 1.00 H new ATOM 0 HE21 GLN A 84 9.080 2.938 9.155 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.564 1.255 9.304 1.00 1.00 H new ATOM 1319 N GLU A 85 5.155 6.251 12.091 1.00 1.00 N ATOM 1320 CA GLU A 85 3.929 6.776 12.690 1.00 1.00 C ATOM 1321 C GLU A 85 2.785 6.762 11.683 1.00 1.00 C ATOM 1322 O GLU A 85 1.632 6.575 12.045 1.00 1.00 O ATOM 1323 CB GLU A 85 4.161 8.202 13.186 1.00 1.00 C ATOM 1324 CG GLU A 85 5.165 8.174 14.339 1.00 1.00 C ATOM 1325 CD GLU A 85 5.488 9.593 14.793 1.00 1.00 C ATOM 1326 OE1 GLU A 85 4.891 10.517 14.264 1.00 1.00 O ATOM 1327 OE2 GLU A 85 6.327 9.736 15.666 1.00 1.00 O ATOM 0 H GLU A 85 5.907 6.933 11.993 1.00 1.00 H new ATOM 0 HA GLU A 85 3.658 6.138 13.531 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.537 8.826 12.375 1.00 1.00 H new ATOM 0 HB3 GLU A 85 3.221 8.643 13.517 1.00 1.00 H new ATOM 0 HG2 GLU A 85 4.756 7.602 15.172 1.00 1.00 H new ATOM 0 HG3 GLU A 85 6.078 7.669 14.023 1.00 1.00 H new ATOM 1334 N LEU A 86 3.110 6.963 10.420 1.00 1.00 N ATOM 1335 CA LEU A 86 2.090 6.970 9.381 1.00 1.00 C ATOM 1336 C LEU A 86 1.404 5.599 9.300 1.00 1.00 C ATOM 1337 O LEU A 86 0.190 5.517 9.113 1.00 1.00 O ATOM 1338 CB LEU A 86 2.727 7.322 8.029 1.00 1.00 C ATOM 1339 CG LEU A 86 2.979 8.841 7.936 1.00 1.00 C ATOM 1340 CD1 LEU A 86 3.876 9.123 6.726 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.652 9.612 7.773 1.00 1.00 C ATOM 0 H LEU A 86 4.061 7.122 10.088 1.00 1.00 H new ATOM 0 HA LEU A 86 1.339 7.721 9.628 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.667 6.783 7.910 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.073 7.005 7.217 1.00 1.00 H new ATOM 0 HG LEU A 86 3.461 9.173 8.856 1.00 1.00 H new ATOM 0 HD11 LEU A 86 4.060 10.195 6.651 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.824 8.599 6.846 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.382 8.776 5.818 1.00 1.00 H new ATOM 0 HD21 LEU A 86 1.857 10.681 7.710 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.150 9.284 6.862 1.00 1.00 H new ATOM 0 HD23 LEU A 86 1.010 9.416 8.632 1.00 1.00 H new ATOM 1353 N LEU A 87 2.192 4.529 9.438 1.00 1.00 N ATOM 1354 CA LEU A 87 1.658 3.162 9.374 1.00 1.00 C ATOM 1355 C LEU A 87 0.679 2.940 10.511 1.00 1.00 C ATOM 1356 O LEU A 87 -0.188 2.069 10.448 1.00 1.00 O ATOM 1357 CB LEU A 87 2.779 2.123 9.535 1.00 1.00 C ATOM 1358 CG LEU A 87 3.986 2.531 8.715 1.00 1.00 C ATOM 1359 CD1 LEU A 87 5.001 1.387 8.687 1.00 1.00 C ATOM 1360 CD2 LEU A 87 3.582 2.895 7.282 1.00 1.00 C ATOM 0 H LEU A 87 3.199 4.580 9.594 1.00 1.00 H new ATOM 0 HA LEU A 87 1.175 3.045 8.404 1.00 1.00 H new ATOM 0 HB2 LEU A 87 3.056 2.035 10.586 1.00 1.00 H new ATOM 0 HB3 LEU A 87 2.426 1.143 9.215 1.00 1.00 H new ATOM 0 HG LEU A 87 4.433 3.410 9.179 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.868 1.684 8.096 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.317 1.156 9.704 1.00 1.00 H new ATOM 0 HD13 LEU A 87 4.543 0.505 8.240 1.00 1.00 H new ATOM 0 HD21 LEU A 87 4.468 3.184 6.716 1.00 1.00 H new ATOM 0 HD22 LEU A 87 3.113 2.034 6.806 1.00 1.00 H new ATOM 0 HD23 LEU A 87 2.878 3.727 7.303 1.00 1.00 H new ATOM 1372 N SER A 88 0.875 3.699 11.580 1.00 1.00 N ATOM 1373 CA SER A 88 0.060 3.538 12.761 1.00 1.00 C ATOM 1374 C SER A 88 -1.413 3.563 12.406 1.00 1.00 C ATOM 1375 O SER A 88 -2.207 2.814 12.975 1.00 1.00 O ATOM 1376 CB SER A 88 0.342 4.651 13.772 1.00 1.00 C ATOM 1377 OG SER A 88 1.730 4.677 14.076 1.00 1.00 O ATOM 0 H SER A 88 1.588 4.426 11.648 1.00 1.00 H new ATOM 0 HA SER A 88 0.312 2.574 13.202 1.00 1.00 H new ATOM 0 HB2 SER A 88 0.030 5.613 13.366 1.00 1.00 H new ATOM 0 HB3 SER A 88 -0.237 4.486 14.681 1.00 1.00 H new ATOM 0 HG SER A 88 1.910 5.391 14.722 1.00 1.00 H new ATOM 1383 N ALA A 89 -1.776 4.432 11.462 1.00 1.00 N ATOM 1384 CA ALA A 89 -3.176 4.552 11.034 1.00 1.00 C ATOM 1385 C ALA A 89 -3.351 4.106 9.586 1.00 1.00 C ATOM 1386 O ALA A 89 -4.405 4.336 8.990 1.00 1.00 O ATOM 1387 CB ALA A 89 -3.648 6.002 11.170 1.00 1.00 C ATOM 0 H ALA A 89 -1.130 5.058 10.982 1.00 1.00 H new ATOM 0 HA ALA A 89 -3.774 3.905 11.676 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -4.687 6.078 10.850 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -3.565 6.315 12.211 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -3.028 6.646 10.547 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.321 3.486 9.011 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.394 3.033 7.617 1.00 1.00 C ATOM 1395 C HIS A 90 -1.925 1.593 7.467 1.00 1.00 C ATOM 1396 O HIS A 90 -1.994 1.032 6.383 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.541 3.945 6.739 1.00 1.00 C ATOM 1398 CG HIS A 90 -2.113 5.333 6.788 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.475 5.565 6.699 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.530 6.571 6.911 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.669 6.892 6.764 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -2.516 7.554 6.894 1.00 1.00 N ATOM 0 H HIS A 90 -1.437 3.287 9.479 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.437 3.079 7.303 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.509 3.949 7.089 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -1.528 3.578 5.713 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -0.470 6.754 7.006 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -4.638 7.366 6.717 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -2.386 8.563 6.965 1.00 1.00 H new ATOM 1411 N SER A 91 -1.446 0.995 8.548 1.00 1.00 N ATOM 1412 CA SER A 91 -0.967 -0.382 8.481 1.00 1.00 C ATOM 1413 C SER A 91 -2.067 -1.332 8.020 1.00 1.00 C ATOM 1414 O SER A 91 -1.813 -2.265 7.267 1.00 1.00 O ATOM 1415 CB SER A 91 -0.455 -0.835 9.849 1.00 1.00 C ATOM 1416 OG SER A 91 0.715 -0.101 10.181 1.00 1.00 O ATOM 0 H SER A 91 -1.378 1.430 9.468 1.00 1.00 H new ATOM 0 HA SER A 91 -0.154 -0.410 7.755 1.00 1.00 H new ATOM 0 HB2 SER A 91 -1.223 -0.679 10.607 1.00 1.00 H new ATOM 0 HB3 SER A 91 -0.236 -1.903 9.832 1.00 1.00 H new ATOM 0 HG SER A 91 0.488 0.603 10.823 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.284 -1.112 8.507 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.425 -1.974 8.171 1.00 1.00 C ATOM 1424 C LEU A 92 -4.061 -3.465 8.283 1.00 1.00 C ATOM 1425 O LEU A 92 -4.862 -4.335 7.938 1.00 1.00 O ATOM 1426 CB LEU A 92 -4.912 -1.696 6.745 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.287 -0.216 6.565 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -5.708 0.012 5.105 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.458 0.164 7.490 1.00 1.00 C ATOM 0 H LEU A 92 -3.512 -0.343 9.138 1.00 1.00 H new ATOM 0 HA LEU A 92 -5.215 -1.746 8.886 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.132 -1.966 6.032 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.776 -2.322 6.524 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.426 0.402 6.818 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -5.977 1.059 4.963 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.880 -0.243 4.444 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.566 -0.618 4.871 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -6.708 1.215 7.347 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.325 -0.451 7.250 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.171 -0.003 8.528 1.00 1.00 H new ATOM 1441 N SER A 93 -2.845 -3.749 8.743 1.00 1.00 N ATOM 1442 CA SER A 93 -2.363 -5.124 8.872 1.00 1.00 C ATOM 1443 C SER A 93 -1.274 -5.216 9.937 1.00 1.00 C ATOM 1444 O SER A 93 -0.682 -4.206 10.314 1.00 1.00 O ATOM 1445 CB SER A 93 -1.808 -5.593 7.528 1.00 1.00 C ATOM 1446 OG SER A 93 -1.051 -6.782 7.714 1.00 1.00 O ATOM 0 H SER A 93 -2.171 -3.041 9.035 1.00 1.00 H new ATOM 0 HA SER A 93 -3.195 -5.761 9.172 1.00 1.00 H new ATOM 0 HB2 SER A 93 -2.625 -5.775 6.829 1.00 1.00 H new ATOM 0 HB3 SER A 93 -1.182 -4.816 7.090 1.00 1.00 H new ATOM 0 HG SER A 93 -1.477 -7.520 7.230 1.00 1.00 H new ATOM 1452 N SER A 94 -1.026 -6.436 10.426 1.00 1.00 N ATOM 1453 CA SER A 94 -0.015 -6.668 11.465 1.00 1.00 C ATOM 1454 C SER A 94 1.148 -7.514 10.942 1.00 1.00 C ATOM 1455 O SER A 94 1.991 -7.952 11.724 1.00 1.00 O ATOM 1456 CB SER A 94 -0.652 -7.385 12.655 1.00 1.00 C ATOM 1457 OG SER A 94 -1.139 -8.652 12.230 1.00 1.00 O ATOM 0 H SER A 94 -1.512 -7.279 10.119 1.00 1.00 H new ATOM 0 HA SER A 94 0.374 -5.696 11.770 1.00 1.00 H new ATOM 0 HB2 SER A 94 0.080 -7.512 13.453 1.00 1.00 H new ATOM 0 HB3 SER A 94 -1.467 -6.786 13.062 1.00 1.00 H new ATOM 0 HG SER A 94 -1.547 -9.117 12.990 1.00 1.00 H new ATOM 1463 N TRP A 95 1.187 -7.758 9.626 1.00 1.00 N ATOM 1464 CA TRP A 95 2.255 -8.579 9.030 1.00 1.00 C ATOM 1465 C TRP A 95 2.997 -7.813 7.941 1.00 1.00 C ATOM 1466 O TRP A 95 2.594 -6.719 7.548 1.00 1.00 O ATOM 1467 CB TRP A 95 1.661 -9.862 8.437 1.00 1.00 C ATOM 1468 CG TRP A 95 0.833 -9.538 7.235 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.312 -9.400 5.979 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.602 -9.322 7.157 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.263 -9.105 5.133 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.941 -9.042 5.812 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.633 -9.336 8.112 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -2.260 -8.782 5.428 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -2.960 -9.078 7.734 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.273 -8.799 6.394 1.00 1.00 C ATOM 0 H TRP A 95 0.502 -7.405 8.958 1.00 1.00 H new ATOM 0 HA TRP A 95 2.963 -8.832 9.819 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.461 -10.549 8.162 1.00 1.00 H new ATOM 0 HB3 TRP A 95 1.049 -10.368 9.184 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.346 -9.504 5.686 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.363 -8.952 4.129 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.402 -9.547 9.146 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.495 -8.570 4.395 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -3.744 -9.094 8.477 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.295 -8.598 6.109 1.00 1.00 H new ATOM 1487 N GLY A 96 4.098 -8.401 7.472 1.00 1.00 N ATOM 1488 CA GLY A 96 4.925 -7.786 6.437 1.00 1.00 C ATOM 1489 C GLY A 96 6.399 -8.070 6.697 1.00 1.00 C ATOM 1490 O GLY A 96 7.177 -7.155 6.967 1.00 1.00 O ATOM 0 H GLY A 96 4.438 -9.307 7.795 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.641 -8.172 5.458 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.753 -6.710 6.417 1.00 1.00 H new ATOM 1494 N ALA A 97 6.768 -9.350 6.623 1.00 1.00 N ATOM 1495 CA ALA A 97 8.150 -9.775 6.857 1.00 1.00 C ATOM 1496 C ALA A 97 8.386 -10.000 8.347 1.00 1.00 C ATOM 1497 O ALA A 97 9.522 -10.031 8.817 1.00 1.00 O ATOM 1498 CB ALA A 97 9.142 -8.734 6.304 1.00 1.00 C ATOM 0 H ALA A 97 6.127 -10.112 6.402 1.00 1.00 H new ATOM 0 HA ALA A 97 8.316 -10.715 6.331 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.162 -9.070 6.489 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.987 -8.617 5.231 1.00 1.00 H new ATOM 0 HB3 ALA A 97 8.980 -7.777 6.800 1.00 1.00 H new