USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1050 hydrogens (25 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 122 SER OG : rot 66:sc= 1.2 USER MOD Set 1.2: A 125 THR OG1 : rot -179:sc= 1.05 USER MOD Set 2.1: A 78 CYS SG : rot 180:sc= -0.175 USER MOD Set 2.2: A 111 MET CE :methyl -175:sc= 0 (180deg=-0.00994) USER MOD Set 3.1: A 99 GLN : amide:sc= -0.59 X(o=-0.58,f=-1) USER MOD Set 3.2: A 109 LYS NZ :NH3+ -135:sc= 0.0118 (180deg=0) USER MOD Set 4.1: A 64 TYR OH : rot -93:sc= 0.0247 USER MOD Set 4.2: A 71 CYS SG : rot 69:sc= 1.19 USER MOD Set 5.1: A 25 HIS : no HD1:sc= -0.36 K(o=-0.8,f=-1.5) USER MOD Set 5.2: A 28 THR OG1 : rot 180:sc= 0.0464 USER MOD Set 5.3: A 29 ASN :FLIP amide:sc= -0.781 F(o=-6,f=-0.8) USER MOD Set 5.4: A 126 THR OG1 : rot -49:sc= 0.29 USER MOD Set 6.1: A 15 CYS SG : rot 180:sc= -0.0524 USER MOD Set 6.2: A 16 HIS : no HD1:sc= -0.212 K(o=-0.26,f=-1.3) USER MOD Set 7.1: A 5 THR OG1 : rot 169:sc= 0.705 USER MOD Set 7.2: A 84 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-3.28!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0326) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= 0.118 (180deg=-0.404) USER MOD Single : A 26 SER OG : rot -139:sc= 0.808 USER MOD Single : A 33 ASN : amide:sc=-0.00701 X(o=-0.007,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.3) USER MOD Single : A 41 SER OG : rot -45:sc= 0.144 USER MOD Single : A 42 SER OG : rot 33:sc= -0.326 USER MOD Single : A 43 GLN : amide:sc= -4.81! C(o=-4.8!,f=-6.3!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -39:sc= 0.574 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -24:sc= -1.45 USER MOD Single : A 61 SER OG : rot 66:sc= 0.899 USER MOD Single : A 62 SER OG : rot -50:sc= 0.027 USER MOD Single : A 66 GLN : amide:sc= -0.0953 X(o=-0.095,f=-0.083) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0264 (180deg=-0.528) USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= -1.48 (180deg=-2.34!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.73) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00854) USER MOD Single : A 100 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 121 THR OG1 : rot -150:sc= 0.00945 USER MOD Single : A 130 MET CE :methyl -105:sc= -1.9 (180deg=-8.18!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 FOP N4 :NH3+ 177:sc= 0 (180deg=-0.0193) USER MOD Single : A 139 DBI O2' : rot -104:sc= 0.126 USER MOD Single : A 139 DBI O5' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.692 10.218 12.191 1.00 0.00 N ATOM 2 CA MET A 1 -1.929 9.210 12.894 1.00 0.00 C ATOM 3 C MET A 1 -2.288 7.889 12.208 1.00 0.00 C ATOM 4 O MET A 1 -1.455 7.239 11.590 1.00 0.00 O ATOM 5 CB MET A 1 -2.267 9.228 14.397 1.00 0.00 C ATOM 6 CG MET A 1 -1.425 8.240 15.214 1.00 0.00 C ATOM 7 SD MET A 1 -2.048 8.082 16.897 1.00 0.00 S ATOM 8 CE MET A 1 -3.225 6.745 16.620 1.00 0.00 C ATOM 0 H1 MET A 1 -2.435 11.160 12.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.483 10.165 11.174 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.708 10.055 12.345 1.00 0.00 H new ATOM 0 HA MET A 1 -0.853 9.379 12.848 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.114 10.235 14.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.323 8.992 14.529 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.433 7.264 14.728 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.388 8.576 15.238 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.722 6.498 17.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.968 7.060 15.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.697 5.867 16.246 1.00 0.00 H new ATOM 20 N GLU A 2 -3.585 7.544 12.371 1.00 0.00 N ATOM 21 CA GLU A 2 -4.151 6.332 11.805 1.00 0.00 C ATOM 22 C GLU A 2 -5.427 6.803 11.113 1.00 0.00 C ATOM 23 O GLU A 2 -6.541 6.584 11.575 1.00 0.00 O ATOM 24 CB GLU A 2 -4.423 5.297 12.913 1.00 0.00 C ATOM 25 CG GLU A 2 -3.120 4.700 13.471 1.00 0.00 C ATOM 26 CD GLU A 2 -3.358 3.594 14.517 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.411 3.583 15.156 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.477 2.751 14.685 1.00 0.00 O ATOM 0 H GLU A 2 -4.253 8.105 12.899 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.485 5.828 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.982 5.769 13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.049 4.497 12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.533 4.292 12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.527 5.496 13.922 1.00 0.00 H new ATOM 35 N LYS A 3 -5.169 7.457 9.958 1.00 0.00 N ATOM 36 CA LYS A 3 -6.207 8.014 9.123 1.00 0.00 C ATOM 37 C LYS A 3 -6.918 6.847 8.432 1.00 0.00 C ATOM 38 O LYS A 3 -6.520 5.690 8.500 1.00 0.00 O ATOM 39 CB LYS A 3 -5.628 9.062 8.165 1.00 0.00 C ATOM 40 CG LYS A 3 -5.351 10.384 8.884 1.00 0.00 C ATOM 41 CD LYS A 3 -4.632 11.392 7.982 1.00 0.00 C ATOM 42 CE LYS A 3 -4.473 12.773 8.623 1.00 0.00 C ATOM 43 NZ LYS A 3 -5.743 13.470 8.788 1.00 0.00 N ATOM 0 H LYS A 3 -4.227 7.603 9.596 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.949 8.559 9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.705 8.685 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.325 9.232 7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.292 10.813 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.745 10.194 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.647 11.002 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.186 11.494 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.995 12.664 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.808 13.380 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.566 14.441 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.245 13.497 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.325 12.970 9.490 1.00 0.00 H new ATOM 56 N LYS A 4 -8.010 7.271 7.765 1.00 0.00 N ATOM 57 CA LYS A 4 -8.907 6.355 7.097 1.00 0.00 C ATOM 58 C LYS A 4 -8.756 6.464 5.572 1.00 0.00 C ATOM 59 O LYS A 4 -9.669 6.904 4.885 1.00 0.00 O ATOM 60 CB LYS A 4 -10.331 6.692 7.591 1.00 0.00 C ATOM 61 CG LYS A 4 -10.760 8.159 7.410 1.00 0.00 C ATOM 62 CD LYS A 4 -12.237 8.365 7.763 1.00 0.00 C ATOM 63 CE LYS A 4 -12.683 9.819 7.580 1.00 0.00 C ATOM 64 NZ LYS A 4 -14.090 10.015 7.906 1.00 0.00 N ATOM 0 H LYS A 4 -8.278 8.252 7.684 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.678 5.316 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.041 6.055 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.400 6.438 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.142 8.799 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.586 8.464 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.851 7.718 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.406 8.063 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.073 10.465 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.506 10.123 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.343 11.014 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.676 9.420 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.256 9.751 8.898 1.00 0.00 H new ATOM 77 N THR A 5 -7.587 6.009 5.063 1.00 0.00 N ATOM 78 CA THR A 5 -7.375 6.025 3.617 1.00 0.00 C ATOM 79 C THR A 5 -6.426 4.855 3.317 1.00 0.00 C ATOM 80 O THR A 5 -5.239 4.876 3.632 1.00 0.00 O ATOM 81 CB THR A 5 -6.826 7.361 3.062 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.520 7.725 3.596 1.00 0.00 O ATOM 83 CG2 THR A 5 -7.941 8.458 2.973 1.00 0.00 C ATOM 0 H THR A 5 -6.811 5.642 5.615 1.00 0.00 H new ATOM 0 HA THR A 5 -8.335 5.920 3.112 1.00 0.00 H new ATOM 0 HB THR A 5 -6.559 7.225 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.155 8.476 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.514 9.380 2.579 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.737 8.115 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.349 8.643 3.967 1.00 0.00 H new ATOM 91 N ILE A 6 -7.064 3.847 2.670 1.00 0.00 N ATOM 92 CA ILE A 6 -6.457 2.603 2.245 1.00 0.00 C ATOM 93 C ILE A 6 -6.749 2.591 0.754 1.00 0.00 C ATOM 94 O ILE A 6 -7.853 2.905 0.344 1.00 0.00 O ATOM 95 CB ILE A 6 -7.043 1.326 2.941 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.261 1.573 3.921 1.00 0.00 C ATOM 97 CG2 ILE A 6 -6.594 0.044 2.134 1.00 0.00 C ATOM 98 CD1 ILE A 6 -7.761 2.170 5.240 1.00 0.00 C ATOM 0 H ILE A 6 -8.054 3.901 2.430 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.400 2.563 2.507 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.729 0.879 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.981 2.248 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.781 0.634 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.998 -0.848 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.968 0.108 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.506 -0.014 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.606 2.336 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.059 1.480 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.261 3.119 5.044 1.00 0.00 H new ATOM 110 N VAL A 7 -5.721 2.218 -0.032 1.00 0.00 N ATOM 111 CA VAL A 7 -5.864 2.155 -1.468 1.00 0.00 C ATOM 112 C VAL A 7 -5.351 0.805 -1.952 1.00 0.00 C ATOM 113 O VAL A 7 -4.288 0.348 -1.559 1.00 0.00 O ATOM 114 CB VAL A 7 -5.181 3.349 -2.206 1.00 0.00 C ATOM 115 CG1 VAL A 7 -3.930 3.846 -1.418 1.00 0.00 C ATOM 116 CG2 VAL A 7 -5.351 3.587 -3.725 1.00 0.00 C ATOM 0 H VAL A 7 -4.797 1.961 0.315 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.922 2.249 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.897 4.171 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.471 4.678 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.233 4.175 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.210 3.032 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.788 4.473 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.979 2.721 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.406 3.735 -3.954 1.00 0.00 H new ATOM 126 N LEU A 8 -6.186 0.201 -2.829 1.00 0.00 N ATOM 127 CA LEU A 8 -5.867 -1.105 -3.386 1.00 0.00 C ATOM 128 C LEU A 8 -5.695 -0.898 -4.890 1.00 0.00 C ATOM 129 O LEU A 8 -6.352 -0.062 -5.500 1.00 0.00 O ATOM 130 CB LEU A 8 -6.963 -2.125 -3.025 1.00 0.00 C ATOM 131 CG LEU A 8 -8.297 -2.004 -3.827 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.283 -3.019 -5.012 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.594 -1.477 -3.178 1.00 0.00 C ATOM 0 H LEU A 8 -7.067 0.600 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.948 -1.521 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.562 -3.128 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.189 -2.026 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.356 -1.012 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.214 -2.936 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.442 -2.799 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.184 -4.032 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.396 -1.477 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.870 -2.120 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.434 -0.461 -2.817 1.00 0.00 H new ATOM 145 N GLY A 9 -4.764 -1.725 -5.421 1.00 0.00 N ATOM 146 CA GLY A 9 -4.411 -1.744 -6.836 1.00 0.00 C ATOM 147 C GLY A 9 -4.423 -3.178 -7.338 1.00 0.00 C ATOM 148 O GLY A 9 -4.105 -4.097 -6.600 1.00 0.00 O ATOM 0 H GLY A 9 -4.239 -2.399 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.117 -1.141 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.425 -1.304 -6.982 1.00 0.00 H new ATOM 152 N VAL A 10 -4.819 -3.318 -8.624 1.00 0.00 N ATOM 153 CA VAL A 10 -4.899 -4.626 -9.241 1.00 0.00 C ATOM 154 C VAL A 10 -3.973 -4.706 -10.464 1.00 0.00 C ATOM 155 O VAL A 10 -4.029 -3.890 -11.376 1.00 0.00 O ATOM 156 CB VAL A 10 -6.404 -4.824 -9.622 1.00 0.00 C ATOM 157 CG1 VAL A 10 -7.158 -4.794 -10.994 1.00 0.00 C ATOM 158 CG2 VAL A 10 -7.213 -5.162 -8.352 1.00 0.00 C ATOM 0 H VAL A 10 -5.081 -2.542 -9.232 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.567 -5.418 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.173 -4.441 -10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.219 -4.981 -10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.029 -3.816 -11.459 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.751 -5.564 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.262 -5.300 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.826 -6.079 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.123 -4.346 -7.635 1.00 0.00 H new ATOM 168 N ILE A 11 -3.128 -5.758 -10.401 1.00 0.00 N ATOM 169 CA ILE A 11 -2.222 -6.021 -11.511 1.00 0.00 C ATOM 170 C ILE A 11 -1.976 -7.519 -11.441 1.00 0.00 C ATOM 171 O ILE A 11 -1.846 -8.104 -10.378 1.00 0.00 O ATOM 172 CB ILE A 11 -0.895 -5.206 -11.536 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.468 -4.780 -13.000 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.575 -4.582 -10.128 1.00 0.00 C ATOM 175 CD1 ILE A 11 -1.464 -3.976 -13.883 1.00 0.00 C ATOM 0 H ILE A 11 -3.063 -6.410 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.683 -5.690 -12.442 1.00 0.00 H new ATOM 0 HB ILE A 11 0.125 -5.589 -11.500 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.444 -4.190 -12.916 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.210 -5.689 -13.543 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.358 -4.020 -10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.384 -3.914 -9.834 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.476 -5.379 -9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.008 -3.770 -14.851 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.374 -4.558 -14.027 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.709 -3.035 -13.390 1.00 0.00 H new ATOM 187 N GLY A 12 -1.945 -8.111 -12.647 1.00 0.00 N ATOM 188 CA GLY A 12 -1.753 -9.547 -12.744 1.00 0.00 C ATOM 189 C GLY A 12 -2.764 -10.026 -13.753 1.00 0.00 C ATOM 190 O GLY A 12 -3.858 -10.475 -13.433 1.00 0.00 O ATOM 0 H GLY A 12 -2.048 -7.625 -13.538 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.738 -9.786 -13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.905 -10.029 -11.778 1.00 0.00 H new ATOM 194 N SER A 13 -2.291 -9.896 -15.000 1.00 0.00 N ATOM 195 CA SER A 13 -3.100 -10.217 -16.141 1.00 0.00 C ATOM 196 C SER A 13 -2.707 -11.625 -16.575 1.00 0.00 C ATOM 197 O SER A 13 -2.481 -11.900 -17.748 1.00 0.00 O ATOM 198 CB SER A 13 -2.818 -9.044 -17.128 1.00 0.00 C ATOM 199 OG SER A 13 -2.647 -7.674 -16.559 1.00 0.00 O ATOM 0 H SER A 13 -1.351 -9.570 -15.225 1.00 0.00 H new ATOM 0 HA SER A 13 -4.180 -10.274 -16.009 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.915 -9.288 -17.687 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.637 -9.007 -17.846 1.00 0.00 H new ATOM 0 HG SER A 13 -2.475 -7.038 -17.284 1.00 0.00 H new ATOM 205 N ASP A 14 -2.657 -12.504 -15.539 1.00 0.00 N ATOM 206 CA ASP A 14 -2.334 -13.898 -15.767 1.00 0.00 C ATOM 207 C ASP A 14 -3.573 -14.537 -16.441 1.00 0.00 C ATOM 208 O ASP A 14 -3.470 -15.341 -17.359 1.00 0.00 O ATOM 209 CB ASP A 14 -1.984 -14.561 -14.422 1.00 0.00 C ATOM 210 CG ASP A 14 -1.609 -16.046 -14.585 1.00 0.00 C ATOM 211 OD1 ASP A 14 -0.454 -16.331 -14.899 1.00 0.00 O ATOM 212 OD2 ASP A 14 -2.476 -16.899 -14.394 1.00 0.00 O ATOM 0 H ASP A 14 -2.835 -12.259 -14.565 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.467 -14.027 -16.415 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.153 -14.027 -13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.834 -14.475 -13.745 1.00 0.00 H new ATOM 217 N CYS A 15 -4.734 -14.104 -15.908 1.00 0.00 N ATOM 218 CA CYS A 15 -6.053 -14.522 -16.310 1.00 0.00 C ATOM 219 C CYS A 15 -7.017 -13.475 -15.719 1.00 0.00 C ATOM 220 O CYS A 15 -7.926 -13.034 -16.412 1.00 0.00 O ATOM 221 CB CYS A 15 -6.360 -15.938 -15.793 1.00 0.00 C ATOM 222 SG CYS A 15 -7.970 -16.565 -16.334 1.00 0.00 S ATOM 0 H CYS A 15 -4.756 -13.421 -15.151 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.151 -14.575 -17.394 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.580 -16.619 -16.134 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.327 -15.935 -14.704 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.152 -17.761 -15.859 1.00 0.00 H new ATOM 228 N HIS A 16 -6.785 -13.089 -14.426 1.00 0.00 N ATOM 229 CA HIS A 16 -7.678 -12.123 -13.808 1.00 0.00 C ATOM 230 C HIS A 16 -6.824 -11.368 -12.807 1.00 0.00 C ATOM 231 O HIS A 16 -6.059 -11.938 -12.037 1.00 0.00 O ATOM 232 CB HIS A 16 -8.849 -12.796 -13.058 1.00 0.00 C ATOM 233 CG HIS A 16 -9.812 -13.456 -14.017 1.00 0.00 C ATOM 234 ND1 HIS A 16 -9.827 -14.779 -14.284 1.00 0.00 N ATOM 235 CD2 HIS A 16 -10.826 -12.840 -14.770 1.00 0.00 C ATOM 236 CE1 HIS A 16 -10.820 -14.962 -15.172 1.00 0.00 C ATOM 237 NE2 HIS A 16 -11.441 -13.810 -15.484 1.00 0.00 N ATOM 0 H HIS A 16 -6.022 -13.425 -13.838 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.122 -11.484 -14.571 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.458 -13.539 -12.363 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -9.378 -12.051 -12.464 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.069 -11.788 -14.777 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.088 -15.922 -15.587 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.221 -13.692 -16.131 1.00 0.00 H new ATOM 245 N ALA A 17 -7.030 -10.039 -12.884 1.00 0.00 N ATOM 246 CA ALA A 17 -6.352 -9.116 -12.000 1.00 0.00 C ATOM 247 C ALA A 17 -7.379 -8.726 -10.922 1.00 0.00 C ATOM 248 O ALA A 17 -7.118 -7.813 -10.150 1.00 0.00 O ATOM 249 CB ALA A 17 -5.847 -7.897 -12.792 1.00 0.00 C ATOM 0 H ALA A 17 -7.661 -9.597 -13.552 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.471 -9.560 -11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.338 -7.209 -12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.152 -8.227 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.692 -7.390 -13.257 1.00 0.00 H new ATOM 255 N VAL A 18 -8.544 -9.443 -10.880 1.00 0.00 N ATOM 256 CA VAL A 18 -9.561 -9.116 -9.878 1.00 0.00 C ATOM 257 C VAL A 18 -8.985 -9.164 -8.438 1.00 0.00 C ATOM 258 O VAL A 18 -8.551 -10.200 -7.947 1.00 0.00 O ATOM 259 CB VAL A 18 -10.798 -10.063 -10.031 1.00 0.00 C ATOM 260 CG1 VAL A 18 -10.401 -11.555 -9.794 1.00 0.00 C ATOM 261 CG2 VAL A 18 -12.262 -9.562 -9.956 1.00 0.00 C ATOM 0 H VAL A 18 -8.779 -10.214 -11.506 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.889 -8.091 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.142 -9.970 -11.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.281 -12.188 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.645 -11.851 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.999 -11.669 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.942 -10.403 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.440 -9.104 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.435 -8.826 -10.741 1.00 0.00 H new ATOM 271 N GLY A 19 -9.010 -7.960 -7.815 1.00 0.00 N ATOM 272 CA GLY A 19 -8.526 -7.765 -6.447 1.00 0.00 C ATOM 273 C GLY A 19 -9.688 -7.632 -5.465 1.00 0.00 C ATOM 274 O GLY A 19 -9.613 -6.938 -4.444 1.00 0.00 O ATOM 0 H GLY A 19 -9.365 -7.110 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.896 -8.606 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.904 -6.871 -6.402 1.00 0.00 H new ATOM 278 N ASN A 20 -10.764 -8.384 -5.849 1.00 0.00 N ATOM 279 CA ASN A 20 -12.022 -8.462 -5.114 1.00 0.00 C ATOM 280 C ASN A 20 -11.587 -8.537 -3.664 1.00 0.00 C ATOM 281 O ASN A 20 -11.807 -7.588 -2.917 1.00 0.00 O ATOM 282 CB ASN A 20 -12.877 -9.655 -5.592 1.00 0.00 C ATOM 283 CG ASN A 20 -14.204 -9.743 -4.821 1.00 0.00 C ATOM 284 OD1 ASN A 20 -15.215 -9.176 -5.217 1.00 0.00 O ATOM 285 ND2 ASN A 20 -14.131 -10.491 -3.704 1.00 0.00 N ATOM 0 H ASN A 20 -10.760 -8.954 -6.695 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.682 -7.609 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.081 -9.554 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.317 -10.581 -5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.958 -10.617 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.249 -10.931 -3.442 1.00 0.00 H new ATOM 292 N LYS A 21 -10.874 -9.699 -3.450 1.00 0.00 N ATOM 293 CA LYS A 21 -10.122 -10.381 -2.370 1.00 0.00 C ATOM 294 C LYS A 21 -10.394 -9.699 -1.043 1.00 0.00 C ATOM 295 O LYS A 21 -9.569 -9.615 -0.142 1.00 0.00 O ATOM 296 CB LYS A 21 -8.612 -10.297 -2.703 1.00 0.00 C ATOM 297 CG LYS A 21 -8.230 -10.927 -4.052 1.00 0.00 C ATOM 298 CD LYS A 21 -8.051 -12.446 -3.966 1.00 0.00 C ATOM 299 CE LYS A 21 -8.005 -13.116 -5.343 1.00 0.00 C ATOM 300 NZ LYS A 21 -6.924 -12.620 -6.185 1.00 0.00 N ATOM 0 H LYS A 21 -10.817 -10.317 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.434 -11.423 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.309 -9.250 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.048 -10.791 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.001 -10.697 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.304 -10.476 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.130 -12.669 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.870 -12.872 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.891 -14.192 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.956 -12.955 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.148 -12.807 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.813 -11.596 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.038 -13.103 -5.933 1.00 0.00 H new ATOM 313 N ILE A 22 -11.634 -9.222 -1.024 1.00 0.00 N ATOM 314 CA ILE A 22 -12.339 -8.446 -0.091 1.00 0.00 C ATOM 315 C ILE A 22 -11.332 -7.421 0.445 1.00 0.00 C ATOM 316 O ILE A 22 -11.193 -7.227 1.645 1.00 0.00 O ATOM 317 CB ILE A 22 -13.137 -9.368 0.857 1.00 0.00 C ATOM 318 CG1 ILE A 22 -12.557 -10.756 1.186 1.00 0.00 C ATOM 319 CG2 ILE A 22 -14.652 -8.972 0.824 1.00 0.00 C ATOM 320 CD1 ILE A 22 -12.941 -11.777 0.100 1.00 0.00 C ATOM 0 H ILE A 22 -12.242 -9.427 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.156 -7.833 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.950 -9.237 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.472 -10.693 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.928 -11.091 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.213 -9.624 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.765 -7.937 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.034 -9.079 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.521 -12.751 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.027 -11.854 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.547 -11.450 -0.862 1.00 0.00 H new ATOM 332 N LEU A 23 -10.601 -6.789 -0.534 1.00 0.00 N ATOM 333 CA LEU A 23 -9.670 -5.748 -0.101 1.00 0.00 C ATOM 334 C LEU A 23 -10.554 -4.506 0.183 1.00 0.00 C ATOM 335 O LEU A 23 -10.253 -3.648 1.011 1.00 0.00 O ATOM 336 CB LEU A 23 -8.475 -5.517 -1.054 1.00 0.00 C ATOM 337 CG LEU A 23 -7.137 -5.836 -0.330 1.00 0.00 C ATOM 338 CD1 LEU A 23 -7.077 -7.402 -0.419 1.00 0.00 C ATOM 339 CD2 LEU A 23 -6.176 -4.673 -0.760 1.00 0.00 C ATOM 0 H LEU A 23 -10.644 -6.975 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.134 -6.043 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.578 -6.148 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.472 -4.483 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.860 -5.769 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.167 -7.759 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.945 -7.829 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.078 -7.707 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.201 -4.815 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.064 -4.676 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.595 -3.718 -0.441 1.00 0.00 H new ATOM 351 N ASP A 24 -11.710 -4.493 -0.529 1.00 0.00 N ATOM 352 CA ASP A 24 -12.690 -3.447 -0.287 1.00 0.00 C ATOM 353 C ASP A 24 -13.245 -3.682 1.145 1.00 0.00 C ATOM 354 O ASP A 24 -13.810 -2.794 1.770 1.00 0.00 O ATOM 355 CB ASP A 24 -13.797 -3.470 -1.361 1.00 0.00 C ATOM 356 CG ASP A 24 -14.464 -4.859 -1.480 1.00 0.00 C ATOM 357 OD1 ASP A 24 -15.399 -5.132 -0.727 1.00 0.00 O ATOM 358 OD2 ASP A 24 -14.041 -5.649 -2.324 1.00 0.00 O ATOM 0 H ASP A 24 -11.965 -5.174 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.242 -2.456 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.554 -2.725 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.372 -3.189 -2.325 1.00 0.00 H new ATOM 363 N HIS A 25 -13.023 -4.922 1.644 1.00 0.00 N ATOM 364 CA HIS A 25 -13.474 -5.278 2.975 1.00 0.00 C ATOM 365 C HIS A 25 -12.621 -4.499 3.962 1.00 0.00 C ATOM 366 O HIS A 25 -13.118 -4.157 5.015 1.00 0.00 O ATOM 367 CB HIS A 25 -13.398 -6.786 3.272 1.00 0.00 C ATOM 368 CG HIS A 25 -14.456 -7.267 4.241 1.00 0.00 C ATOM 369 ND1 HIS A 25 -15.515 -6.545 4.672 1.00 0.00 N ATOM 370 CD2 HIS A 25 -14.513 -8.531 4.853 1.00 0.00 C ATOM 371 CE1 HIS A 25 -16.189 -7.343 5.517 1.00 0.00 C ATOM 372 NE2 HIS A 25 -15.608 -8.549 5.646 1.00 0.00 N ATOM 0 H HIS A 25 -12.542 -5.668 1.141 1.00 0.00 H new ATOM 0 HA HIS A 25 -14.530 -5.024 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -13.496 -7.337 2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.413 -7.019 3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.811 -9.340 4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.092 -7.050 6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.930 -9.323 6.227 1.00 0.00 H new ATOM 380 N SER A 26 -11.347 -4.220 3.577 1.00 0.00 N ATOM 381 CA SER A 26 -10.369 -3.462 4.382 1.00 0.00 C ATOM 382 C SER A 26 -11.082 -2.220 4.950 1.00 0.00 C ATOM 383 O SER A 26 -10.969 -1.863 6.116 1.00 0.00 O ATOM 384 CB SER A 26 -9.136 -2.953 3.581 1.00 0.00 C ATOM 385 OG SER A 26 -8.412 -4.178 3.090 1.00 0.00 O ATOM 0 H SER A 26 -10.970 -4.525 2.679 1.00 0.00 H new ATOM 0 HA SER A 26 -10.001 -4.147 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.448 -2.325 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.487 -2.345 4.212 1.00 0.00 H new ATOM 0 HG SER A 26 -7.445 -4.045 3.181 1.00 0.00 H new ATOM 391 N PHE A 27 -11.840 -1.612 4.017 1.00 0.00 N ATOM 392 CA PHE A 27 -12.574 -0.380 4.325 1.00 0.00 C ATOM 393 C PHE A 27 -13.473 -0.614 5.547 1.00 0.00 C ATOM 394 O PHE A 27 -13.499 0.145 6.502 1.00 0.00 O ATOM 395 CB PHE A 27 -13.258 0.230 3.060 1.00 0.00 C ATOM 396 CG PHE A 27 -14.769 0.187 2.917 1.00 0.00 C ATOM 397 CD1 PHE A 27 -15.629 0.689 3.896 1.00 0.00 C ATOM 398 CD2 PHE A 27 -15.337 -0.338 1.757 1.00 0.00 C ATOM 399 CE1 PHE A 27 -17.006 0.633 3.735 1.00 0.00 C ATOM 400 CE2 PHE A 27 -16.714 -0.392 1.589 1.00 0.00 C ATOM 401 CZ PHE A 27 -17.551 0.091 2.582 1.00 0.00 C ATOM 0 H PHE A 27 -11.956 -1.950 3.062 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.886 0.412 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.957 1.276 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -12.836 -0.272 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -15.216 1.128 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.693 -0.710 0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.655 1.013 4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -17.132 -0.810 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 27 -18.623 0.045 2.458 1.00 0.00 H new ATOM 411 N THR A 28 -14.178 -1.732 5.446 1.00 0.00 N ATOM 412 CA THR A 28 -15.158 -2.166 6.420 1.00 0.00 C ATOM 413 C THR A 28 -14.543 -2.839 7.661 1.00 0.00 C ATOM 414 O THR A 28 -15.199 -3.019 8.679 1.00 0.00 O ATOM 415 CB THR A 28 -16.062 -3.127 5.592 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.096 -2.966 4.130 1.00 0.00 O ATOM 417 CG2 THR A 28 -17.465 -3.270 6.221 1.00 0.00 C ATOM 0 H THR A 28 -14.078 -2.376 4.662 1.00 0.00 H new ATOM 0 HA THR A 28 -15.706 -1.333 6.860 1.00 0.00 H new ATOM 0 HB THR A 28 -15.535 -4.078 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.700 -3.633 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.068 -3.948 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.372 -3.670 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.947 -2.293 6.261 1.00 0.00 H new ATOM 425 N ASN A 29 -13.275 -3.186 7.508 1.00 0.00 N ATOM 426 CA ASN A 29 -12.459 -3.892 8.467 1.00 0.00 C ATOM 427 C ASN A 29 -12.050 -2.952 9.583 1.00 0.00 C ATOM 428 O ASN A 29 -11.597 -3.416 10.623 1.00 0.00 O ATOM 429 CB ASN A 29 -11.256 -4.647 7.848 1.00 0.00 C ATOM 430 CG ASN A 29 -11.638 -5.766 6.855 1.00 0.00 C ATOM 431 OD1 ASN A 29 -12.933 -6.112 6.843 1.00 0.00 O flip ATOM 432 ND2 ASN A 29 -10.805 -6.275 6.120 1.00 0.00 N flip ATOM 0 H ASN A 29 -12.761 -2.965 6.655 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.075 -4.688 8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.618 -3.927 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.664 -5.081 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.831 -5.976 6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.084 -6.999 5.458 1.00 0.00 H new ATOM 439 N ALA A 30 -12.220 -1.634 9.355 1.00 0.00 N ATOM 440 CA ALA A 30 -11.886 -0.727 10.423 1.00 0.00 C ATOM 441 C ALA A 30 -12.732 0.533 10.261 1.00 0.00 C ATOM 442 O ALA A 30 -12.403 1.572 10.821 1.00 0.00 O ATOM 443 CB ALA A 30 -10.378 -0.454 10.500 1.00 0.00 C ATOM 0 H ALA A 30 -12.565 -1.212 8.493 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.123 -1.179 11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.174 0.235 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.847 -1.390 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.040 -0.012 9.563 1.00 0.00 H new ATOM 449 N GLY A 31 -13.839 0.401 9.490 1.00 0.00 N ATOM 450 CA GLY A 31 -14.736 1.529 9.259 1.00 0.00 C ATOM 451 C GLY A 31 -14.016 2.751 8.662 1.00 0.00 C ATOM 452 O GLY A 31 -14.418 3.891 8.863 1.00 0.00 O ATOM 0 H GLY A 31 -14.118 -0.466 9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.536 1.220 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.205 1.814 10.201 1.00 0.00 H new ATOM 456 N PHE A 32 -12.935 2.424 7.920 1.00 0.00 N ATOM 457 CA PHE A 32 -12.121 3.441 7.281 1.00 0.00 C ATOM 458 C PHE A 32 -12.582 3.472 5.825 1.00 0.00 C ATOM 459 O PHE A 32 -13.196 2.548 5.310 1.00 0.00 O ATOM 460 CB PHE A 32 -10.628 3.070 7.371 1.00 0.00 C ATOM 461 CG PHE A 32 -10.012 3.124 8.753 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.515 3.931 9.775 1.00 0.00 C ATOM 463 CD2 PHE A 32 -8.880 2.357 9.016 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.903 3.966 11.021 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.269 2.389 10.261 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.778 3.195 11.267 1.00 0.00 C ATOM 0 H PHE A 32 -12.621 1.467 7.759 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.233 4.413 7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.500 2.062 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.068 3.740 6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.391 4.536 9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.472 1.728 8.239 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.305 4.596 11.801 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.394 1.784 10.447 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.301 3.222 12.236 1.00 0.00 H new ATOM 476 N ASN A 33 -12.243 4.620 5.207 1.00 0.00 N ATOM 477 CA ASN A 33 -12.596 4.875 3.830 1.00 0.00 C ATOM 478 C ASN A 33 -11.447 4.325 2.981 1.00 0.00 C ATOM 479 O ASN A 33 -10.264 4.504 3.258 1.00 0.00 O ATOM 480 CB ASN A 33 -12.803 6.390 3.632 1.00 0.00 C ATOM 481 CG ASN A 33 -13.147 6.740 2.175 1.00 0.00 C ATOM 482 OD1 ASN A 33 -14.226 6.439 1.680 1.00 0.00 O ATOM 483 ND2 ASN A 33 -12.158 7.387 1.531 1.00 0.00 N ATOM 0 H ASN A 33 -11.725 5.376 5.655 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.528 4.391 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.604 6.735 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.898 6.921 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.279 7.664 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.287 7.601 2.017 1.00 0.00 H new ATOM 490 N VAL A 34 -11.909 3.630 1.923 1.00 0.00 N ATOM 491 CA VAL A 34 -10.994 3.057 0.955 1.00 0.00 C ATOM 492 C VAL A 34 -10.965 4.002 -0.245 1.00 0.00 C ATOM 493 O VAL A 34 -11.747 4.938 -0.367 1.00 0.00 O ATOM 494 CB VAL A 34 -11.379 1.603 0.540 1.00 0.00 C ATOM 495 CG1 VAL A 34 -12.828 1.565 -0.039 1.00 0.00 C ATOM 496 CG2 VAL A 34 -10.336 0.506 0.203 1.00 0.00 C ATOM 0 H VAL A 34 -12.896 3.461 1.731 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.003 2.962 1.398 1.00 0.00 H new ATOM 0 HB VAL A 34 -11.353 1.028 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.080 0.543 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -13.531 1.915 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.887 2.210 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.851 -0.419 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.726 0.830 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.696 0.334 1.068 1.00 0.00 H new ATOM 506 N VAL A 35 -9.992 3.677 -1.103 1.00 0.00 N ATOM 507 CA VAL A 35 -9.724 4.409 -2.320 1.00 0.00 C ATOM 508 C VAL A 35 -9.400 3.346 -3.372 1.00 0.00 C ATOM 509 O VAL A 35 -8.352 2.716 -3.357 1.00 0.00 O ATOM 510 CB VAL A 35 -8.559 5.423 -2.052 1.00 0.00 C ATOM 511 CG1 VAL A 35 -8.229 6.207 -3.354 1.00 0.00 C ATOM 512 CG2 VAL A 35 -8.194 6.037 -0.675 1.00 0.00 C ATOM 0 H VAL A 35 -9.366 2.885 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.561 5.012 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.768 4.746 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.419 6.910 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.924 5.508 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.112 6.754 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.342 6.707 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.046 6.596 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.937 5.240 0.022 1.00 0.00 H new ATOM 522 N ASN A 36 -10.387 3.161 -4.268 1.00 0.00 N ATOM 523 CA ASN A 36 -10.208 2.174 -5.325 1.00 0.00 C ATOM 524 C ASN A 36 -9.482 2.911 -6.463 1.00 0.00 C ATOM 525 O ASN A 36 -9.950 3.930 -6.957 1.00 0.00 O ATOM 526 CB ASN A 36 -11.577 1.628 -5.777 1.00 0.00 C ATOM 527 CG ASN A 36 -12.327 0.924 -4.629 1.00 0.00 C ATOM 528 OD1 ASN A 36 -11.847 0.801 -3.508 1.00 0.00 O ATOM 529 ND2 ASN A 36 -13.540 0.476 -4.997 1.00 0.00 N ATOM 0 H ASN A 36 -11.276 3.662 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.629 1.312 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.186 2.448 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.434 0.927 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.132 -0.006 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.868 0.618 -5.952 1.00 0.00 H new ATOM 536 N ILE A 37 -8.315 2.332 -6.844 1.00 0.00 N ATOM 537 CA ILE A 37 -7.500 2.900 -7.916 1.00 0.00 C ATOM 538 C ILE A 37 -7.982 2.258 -9.233 1.00 0.00 C ATOM 539 O ILE A 37 -7.909 2.860 -10.298 1.00 0.00 O ATOM 540 CB ILE A 37 -5.976 2.609 -7.655 1.00 0.00 C ATOM 541 CG1 ILE A 37 -5.069 3.833 -7.411 1.00 0.00 C ATOM 542 CG2 ILE A 37 -5.586 1.180 -8.139 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.574 3.530 -7.131 1.00 0.00 C ATOM 0 H ILE A 37 -7.933 1.485 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.608 3.984 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.569 2.418 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.130 4.484 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.469 4.394 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.527 1.007 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.179 0.440 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.779 1.093 -9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.036 4.465 -6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.489 2.910 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.144 3.002 -7.982 1.00 0.00 H new ATOM 555 N GLY A 38 -8.466 1.001 -9.083 1.00 0.00 N ATOM 556 CA GLY A 38 -8.934 0.193 -10.194 1.00 0.00 C ATOM 557 C GLY A 38 -7.813 -0.784 -10.569 1.00 0.00 C ATOM 558 O GLY A 38 -7.254 -1.473 -9.722 1.00 0.00 O ATOM 0 H GLY A 38 -8.536 0.534 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.837 -0.350 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.190 0.825 -11.044 1.00 0.00 H new ATOM 562 N VAL A 39 -7.517 -0.779 -11.887 1.00 0.00 N ATOM 563 CA VAL A 39 -6.468 -1.631 -12.442 1.00 0.00 C ATOM 564 C VAL A 39 -5.170 -0.825 -12.610 1.00 0.00 C ATOM 565 O VAL A 39 -4.108 -1.392 -12.839 1.00 0.00 O ATOM 566 CB VAL A 39 -6.921 -2.220 -13.826 1.00 0.00 C ATOM 567 CG1 VAL A 39 -8.399 -2.712 -13.750 1.00 0.00 C ATOM 568 CG2 VAL A 39 -6.249 -1.980 -15.210 1.00 0.00 C ATOM 0 H VAL A 39 -7.992 -0.195 -12.575 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.285 -2.457 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.133 -2.959 -13.968 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.698 -3.117 -14.717 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.486 -3.488 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.048 -1.875 -13.491 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.796 -2.525 -15.979 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.262 -0.915 -15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.218 -2.332 -15.180 1.00 0.00 H new ATOM 578 N LEU A 40 -5.317 0.517 -12.484 1.00 0.00 N ATOM 579 CA LEU A 40 -4.191 1.424 -12.613 1.00 0.00 C ATOM 580 C LEU A 40 -3.514 1.424 -11.243 1.00 0.00 C ATOM 581 O LEU A 40 -3.787 2.263 -10.392 1.00 0.00 O ATOM 582 CB LEU A 40 -4.707 2.834 -13.010 1.00 0.00 C ATOM 583 CG LEU A 40 -3.599 3.947 -13.146 1.00 0.00 C ATOM 584 CD1 LEU A 40 -2.407 4.233 -14.132 1.00 0.00 C ATOM 585 CD2 LEU A 40 -4.424 5.246 -13.218 1.00 0.00 C ATOM 0 H LEU A 40 -6.208 0.976 -12.294 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.485 1.124 -13.387 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.236 2.754 -13.960 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.434 3.159 -12.266 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.962 3.525 -12.368 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.895 5.146 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.706 3.398 -14.108 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.793 4.353 -15.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.752 6.099 -13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.089 5.208 -14.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.016 5.352 -12.309 1.00 0.00 H new ATOM 597 N SER A 41 -2.603 0.431 -11.106 1.00 0.00 N ATOM 598 CA SER A 41 -1.840 0.241 -9.882 1.00 0.00 C ATOM 599 C SER A 41 -0.555 1.048 -10.060 1.00 0.00 C ATOM 600 O SER A 41 0.555 0.535 -10.004 1.00 0.00 O ATOM 601 CB SER A 41 -1.536 -1.272 -9.657 1.00 0.00 C ATOM 602 OG SER A 41 -0.518 -1.701 -8.660 1.00 0.00 O ATOM 0 H SER A 41 -2.389 -0.245 -11.840 1.00 0.00 H new ATOM 0 HA SER A 41 -2.392 0.577 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.476 -1.751 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.237 -1.686 -10.620 1.00 0.00 H new ATOM 0 HG SER A 41 0.282 -1.142 -8.748 1.00 0.00 H new ATOM 608 N SER A 42 -0.801 2.351 -10.292 1.00 0.00 N ATOM 609 CA SER A 42 0.242 3.336 -10.448 1.00 0.00 C ATOM 610 C SER A 42 0.435 3.798 -9.014 1.00 0.00 C ATOM 611 O SER A 42 -0.472 4.339 -8.401 1.00 0.00 O ATOM 612 CB SER A 42 -0.292 4.472 -11.353 1.00 0.00 C ATOM 613 OG SER A 42 -1.642 5.033 -11.090 1.00 0.00 O ATOM 0 H SER A 42 -1.742 2.735 -10.374 1.00 0.00 H new ATOM 0 HA SER A 42 1.167 2.986 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.421 5.295 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.283 4.106 -12.380 1.00 0.00 H new ATOM 0 HG SER A 42 -1.826 5.006 -10.128 1.00 0.00 H new ATOM 619 N GLN A 43 1.649 3.532 -8.509 1.00 0.00 N ATOM 620 CA GLN A 43 1.934 3.862 -7.131 1.00 0.00 C ATOM 621 C GLN A 43 2.487 5.284 -7.068 1.00 0.00 C ATOM 622 O GLN A 43 1.975 6.119 -6.337 1.00 0.00 O ATOM 623 CB GLN A 43 2.934 2.827 -6.602 1.00 0.00 C ATOM 624 CG GLN A 43 3.287 2.991 -5.121 1.00 0.00 C ATOM 625 CD GLN A 43 2.059 2.692 -4.257 1.00 0.00 C ATOM 626 OE1 GLN A 43 1.293 3.573 -3.886 1.00 0.00 O ATOM 627 NE2 GLN A 43 1.947 1.386 -3.965 1.00 0.00 N ATOM 0 H GLN A 43 2.417 3.103 -9.025 1.00 0.00 H new ATOM 0 HA GLN A 43 1.039 3.831 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.523 1.830 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.849 2.890 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.102 2.318 -4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.637 4.006 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.636 0.723 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.173 1.057 -3.388 1.00 0.00 H new ATOM 636 N GLU A 44 3.554 5.501 -7.870 1.00 0.00 N ATOM 637 CA GLU A 44 4.268 6.769 -7.912 1.00 0.00 C ATOM 638 C GLU A 44 3.337 7.894 -8.393 1.00 0.00 C ATOM 639 O GLU A 44 3.476 9.029 -7.954 1.00 0.00 O ATOM 640 CB GLU A 44 5.574 6.616 -8.721 1.00 0.00 C ATOM 641 CG GLU A 44 5.399 6.223 -10.205 1.00 0.00 C ATOM 642 CD GLU A 44 5.197 7.405 -11.178 1.00 0.00 C ATOM 643 OE1 GLU A 44 5.134 8.555 -10.743 1.00 0.00 O ATOM 644 OE2 GLU A 44 5.113 7.154 -12.379 1.00 0.00 O ATOM 0 H GLU A 44 3.933 4.794 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 44 4.578 7.065 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.121 7.558 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.195 5.863 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.277 5.659 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.543 5.554 -10.289 1.00 0.00 H new ATOM 651 N ASP A 45 2.379 7.560 -9.288 1.00 0.00 N ATOM 652 CA ASP A 45 1.478 8.604 -9.772 1.00 0.00 C ATOM 653 C ASP A 45 0.416 8.833 -8.700 1.00 0.00 C ATOM 654 O ASP A 45 -0.133 9.924 -8.604 1.00 0.00 O ATOM 655 CB ASP A 45 0.817 8.225 -11.111 1.00 0.00 C ATOM 656 CG ASP A 45 1.869 7.978 -12.206 1.00 0.00 C ATOM 657 OD1 ASP A 45 2.456 8.948 -12.686 1.00 0.00 O ATOM 658 OD2 ASP A 45 2.091 6.824 -12.569 1.00 0.00 O ATOM 0 H ASP A 45 2.222 6.626 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 45 2.049 9.514 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.210 7.329 -10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.143 9.023 -11.425 1.00 0.00 H new ATOM 663 N PHE A 46 0.158 7.776 -7.895 1.00 0.00 N ATOM 664 CA PHE A 46 -0.835 7.917 -6.848 1.00 0.00 C ATOM 665 C PHE A 46 -0.149 8.486 -5.598 1.00 0.00 C ATOM 666 O PHE A 46 -0.787 8.611 -4.563 1.00 0.00 O ATOM 667 CB PHE A 46 -1.590 6.607 -6.611 1.00 0.00 C ATOM 668 CG PHE A 46 -3.020 6.837 -6.202 1.00 0.00 C ATOM 669 CD1 PHE A 46 -3.978 7.082 -7.184 1.00 0.00 C ATOM 670 CD2 PHE A 46 -3.410 6.801 -4.869 1.00 0.00 C ATOM 671 CE1 PHE A 46 -5.305 7.292 -6.841 1.00 0.00 C ATOM 672 CE2 PHE A 46 -4.740 6.996 -4.524 1.00 0.00 C ATOM 673 CZ PHE A 46 -5.687 7.245 -5.510 1.00 0.00 C ATOM 0 H PHE A 46 0.609 6.863 -7.957 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.609 8.623 -7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.567 6.007 -7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.081 6.032 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.684 7.109 -8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.675 6.621 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.038 7.491 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.040 6.954 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.721 7.402 -5.239 1.00 0.00 H new ATOM 683 N ILE A 47 1.164 8.820 -5.722 1.00 0.00 N ATOM 684 CA ILE A 47 1.873 9.456 -4.618 1.00 0.00 C ATOM 685 C ILE A 47 1.401 10.925 -4.720 1.00 0.00 C ATOM 686 O ILE A 47 1.147 11.604 -3.730 1.00 0.00 O ATOM 687 CB ILE A 47 3.435 9.259 -4.705 1.00 0.00 C ATOM 688 CG1 ILE A 47 4.040 8.179 -3.766 1.00 0.00 C ATOM 689 CG2 ILE A 47 4.156 10.481 -5.368 1.00 0.00 C ATOM 690 CD1 ILE A 47 3.522 6.727 -3.873 1.00 0.00 C ATOM 0 H ILE A 47 1.726 8.658 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 47 1.652 9.024 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 47 3.879 8.597 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.116 8.159 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.885 8.510 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.229 10.295 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.778 10.621 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.963 11.379 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.045 6.100 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.452 6.706 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.703 6.350 -4.879 1.00 0.00 H new ATOM 702 N ASN A 48 1.261 11.339 -6.011 1.00 0.00 N ATOM 703 CA ASN A 48 0.803 12.677 -6.322 1.00 0.00 C ATOM 704 C ASN A 48 -0.709 12.717 -6.022 1.00 0.00 C ATOM 705 O ASN A 48 -1.236 13.769 -5.678 1.00 0.00 O ATOM 706 CB ASN A 48 1.130 13.014 -7.790 1.00 0.00 C ATOM 707 CG ASN A 48 0.774 14.469 -8.129 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.229 14.753 -8.772 1.00 0.00 O ATOM 709 ND2 ASN A 48 1.661 15.361 -7.652 1.00 0.00 N ATOM 0 H ASN A 48 1.461 10.758 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 48 1.306 13.432 -5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.191 12.846 -7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.581 12.341 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.522 16.358 -7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.473 15.041 -7.124 1.00 0.00 H new ATOM 716 N ALA A 49 -1.383 11.540 -6.150 1.00 0.00 N ATOM 717 CA ALA A 49 -2.809 11.523 -5.866 1.00 0.00 C ATOM 718 C ALA A 49 -2.993 11.208 -4.373 1.00 0.00 C ATOM 719 O ALA A 49 -4.118 11.122 -3.915 1.00 0.00 O ATOM 720 CB ALA A 49 -3.546 10.507 -6.739 1.00 0.00 C ATOM 0 H ALA A 49 -0.974 10.649 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.239 12.497 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.609 10.523 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.408 10.762 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.147 9.510 -6.553 1.00 0.00 H new ATOM 726 N ALA A 50 -1.879 11.025 -3.627 1.00 0.00 N ATOM 727 CA ALA A 50 -1.979 10.757 -2.197 1.00 0.00 C ATOM 728 C ALA A 50 -1.955 12.111 -1.494 1.00 0.00 C ATOM 729 O ALA A 50 -2.151 12.185 -0.291 1.00 0.00 O ATOM 730 CB ALA A 50 -0.861 9.833 -1.715 1.00 0.00 C ATOM 0 H ALA A 50 -0.927 11.059 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.904 10.228 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.970 9.657 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.919 8.883 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.105 10.299 -1.910 1.00 0.00 H new ATOM 736 N ILE A 51 -1.692 13.171 -2.284 1.00 0.00 N ATOM 737 CA ILE A 51 -1.751 14.522 -1.755 1.00 0.00 C ATOM 738 C ILE A 51 -3.252 14.884 -1.856 1.00 0.00 C ATOM 739 O ILE A 51 -3.837 15.494 -0.969 1.00 0.00 O ATOM 740 CB ILE A 51 -0.866 15.478 -2.621 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.454 14.887 -3.150 1.00 0.00 C ATOM 742 CG2 ILE A 51 -1.168 16.961 -2.231 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.357 15.831 -3.972 1.00 0.00 C ATOM 0 H ILE A 51 -1.442 13.107 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.374 14.610 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.093 15.584 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.029 14.523 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.216 14.021 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.552 17.628 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.221 17.177 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.942 17.113 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.253 15.296 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.815 16.178 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.641 16.687 -3.360 1.00 0.00 H new ATOM 755 N GLU A 52 -3.812 14.430 -3.004 1.00 0.00 N ATOM 756 CA GLU A 52 -5.188 14.623 -3.410 1.00 0.00 C ATOM 757 C GLU A 52 -6.150 13.917 -2.433 1.00 0.00 C ATOM 758 O GLU A 52 -6.806 14.571 -1.631 1.00 0.00 O ATOM 759 CB GLU A 52 -5.358 14.139 -4.866 1.00 0.00 C ATOM 760 CG GLU A 52 -6.805 14.189 -5.385 1.00 0.00 C ATOM 761 CD GLU A 52 -6.863 13.746 -6.857 1.00 0.00 C ATOM 762 OE1 GLU A 52 -6.836 12.542 -7.110 1.00 0.00 O ATOM 763 OE2 GLU A 52 -6.934 14.608 -7.733 1.00 0.00 O ATOM 0 H GLU A 52 -3.276 13.898 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.442 15.683 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.730 14.750 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.993 13.115 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.438 13.541 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.198 15.201 -5.287 1.00 0.00 H new ATOM 770 N THR A 53 -6.224 12.565 -2.551 1.00 0.00 N ATOM 771 CA THR A 53 -7.147 11.766 -1.770 1.00 0.00 C ATOM 772 C THR A 53 -6.670 11.659 -0.327 1.00 0.00 C ATOM 773 O THR A 53 -7.467 11.339 0.546 1.00 0.00 O ATOM 774 CB THR A 53 -7.430 10.377 -2.436 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.276 9.661 -2.973 1.00 0.00 O ATOM 776 CG2 THR A 53 -8.649 10.462 -3.408 1.00 0.00 C ATOM 0 H THR A 53 -5.643 12.022 -3.190 1.00 0.00 H new ATOM 0 HA THR A 53 -8.111 12.274 -1.749 1.00 0.00 H new ATOM 0 HB THR A 53 -7.707 9.719 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.663 10.298 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.825 9.485 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.535 10.771 -2.854 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.439 11.190 -4.192 1.00 0.00 H new ATOM 784 N LYS A 54 -5.366 11.931 -0.112 1.00 0.00 N ATOM 785 CA LYS A 54 -4.795 11.880 1.231 1.00 0.00 C ATOM 786 C LYS A 54 -4.712 10.397 1.600 1.00 0.00 C ATOM 787 O LYS A 54 -5.169 9.996 2.656 1.00 0.00 O ATOM 788 CB LYS A 54 -5.597 12.725 2.253 1.00 0.00 C ATOM 789 CG LYS A 54 -4.850 13.020 3.562 1.00 0.00 C ATOM 790 CD LYS A 54 -3.656 13.966 3.382 1.00 0.00 C ATOM 791 CE LYS A 54 -3.121 14.498 4.716 1.00 0.00 C ATOM 792 NZ LYS A 54 -1.970 15.376 4.541 1.00 0.00 N ATOM 0 H LYS A 54 -4.704 12.184 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.803 12.331 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.873 13.670 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.524 12.203 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.546 13.457 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.499 12.081 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.857 13.442 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.953 14.805 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.913 15.040 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.841 13.659 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.644 15.710 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.203 14.853 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.241 16.191 3.955 1.00 0.00 H new ATOM 805 N ALA A 55 -4.108 9.625 0.667 1.00 0.00 N ATOM 806 CA ALA A 55 -3.938 8.193 0.788 1.00 0.00 C ATOM 807 C ALA A 55 -2.685 7.946 1.643 1.00 0.00 C ATOM 808 O ALA A 55 -1.640 8.527 1.383 1.00 0.00 O ATOM 809 CB ALA A 55 -3.816 7.586 -0.617 1.00 0.00 C ATOM 0 H ALA A 55 -3.725 10.005 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.790 7.718 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.687 6.507 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.720 7.803 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.954 8.017 -1.126 1.00 0.00 H new ATOM 815 N ASP A 56 -2.840 7.058 2.667 1.00 0.00 N ATOM 816 CA ASP A 56 -1.718 6.739 3.551 1.00 0.00 C ATOM 817 C ASP A 56 -1.210 5.362 3.145 1.00 0.00 C ATOM 818 O ASP A 56 -0.180 5.242 2.496 1.00 0.00 O ATOM 819 CB ASP A 56 -2.058 6.797 5.062 1.00 0.00 C ATOM 820 CG ASP A 56 -0.859 6.426 5.962 1.00 0.00 C ATOM 821 OD1 ASP A 56 -0.085 7.318 6.310 1.00 0.00 O ATOM 822 OD2 ASP A 56 -0.717 5.253 6.311 1.00 0.00 O ATOM 0 H ASP A 56 -3.710 6.572 2.884 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.950 7.503 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.398 7.801 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.885 6.118 5.269 1.00 0.00 H new ATOM 827 N LEU A 57 -1.977 4.336 3.581 1.00 0.00 N ATOM 828 CA LEU A 57 -1.556 2.973 3.324 1.00 0.00 C ATOM 829 C LEU A 57 -2.091 2.563 1.960 1.00 0.00 C ATOM 830 O LEU A 57 -3.145 2.996 1.514 1.00 0.00 O ATOM 831 CB LEU A 57 -1.941 2.029 4.476 1.00 0.00 C ATOM 832 CG LEU A 57 -3.465 1.994 4.806 1.00 0.00 C ATOM 833 CD1 LEU A 57 -4.014 0.563 4.535 1.00 0.00 C ATOM 834 CD2 LEU A 57 -4.093 3.007 5.791 1.00 0.00 C ATOM 0 H LEU A 57 -2.854 4.435 4.091 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.469 2.903 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.614 1.020 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.396 2.328 5.371 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.043 2.635 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.079 0.533 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.861 0.307 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.487 -0.154 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.162 2.812 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.621 2.904 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.939 4.020 5.419 1.00 0.00 H new ATOM 846 N ILE A 58 -1.254 1.699 1.339 1.00 0.00 N ATOM 847 CA ILE A 58 -1.537 1.178 0.008 1.00 0.00 C ATOM 848 C ILE A 58 -1.267 -0.338 0.085 1.00 0.00 C ATOM 849 O ILE A 58 -0.675 -0.847 1.028 1.00 0.00 O ATOM 850 CB ILE A 58 -0.750 1.976 -1.105 1.00 0.00 C ATOM 851 CG1 ILE A 58 -0.266 3.416 -0.765 1.00 0.00 C ATOM 852 CG2 ILE A 58 -1.127 1.420 -2.518 1.00 0.00 C ATOM 853 CD1 ILE A 58 0.929 3.652 0.203 1.00 0.00 C ATOM 0 H ILE A 58 -0.384 1.357 1.748 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.572 1.322 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 58 0.327 1.814 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.012 3.899 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.121 3.951 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.582 1.973 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.863 0.364 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.199 1.535 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.107 4.722 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.696 3.226 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.822 3.173 -0.198 1.00 0.00 H new ATOM 865 N CYS A 59 -1.772 -1.021 -0.965 1.00 0.00 N ATOM 866 CA CYS A 59 -1.667 -2.465 -1.098 1.00 0.00 C ATOM 867 C CYS A 59 -1.936 -2.753 -2.586 1.00 0.00 C ATOM 868 O CYS A 59 -2.526 -1.941 -3.289 1.00 0.00 O ATOM 869 CB CYS A 59 -2.730 -3.110 -0.182 1.00 0.00 C ATOM 870 SG CYS A 59 -4.316 -2.241 -0.245 1.00 0.00 S ATOM 0 H CYS A 59 -2.263 -0.573 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.697 -2.868 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.877 -4.149 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.364 -3.118 0.845 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.122 -1.011 -0.618 1.00 0.00 H new ATOM 876 N VAL A 60 -1.455 -3.948 -3.023 1.00 0.00 N ATOM 877 CA VAL A 60 -1.650 -4.390 -4.399 1.00 0.00 C ATOM 878 C VAL A 60 -2.258 -5.786 -4.348 1.00 0.00 C ATOM 879 O VAL A 60 -2.317 -6.435 -3.310 1.00 0.00 O ATOM 880 CB VAL A 60 -0.348 -4.430 -5.266 1.00 0.00 C ATOM 881 CG1 VAL A 60 0.798 -5.148 -4.484 1.00 0.00 C ATOM 882 CG2 VAL A 60 -0.441 -4.476 -6.804 1.00 0.00 C ATOM 0 H VAL A 60 -0.938 -4.604 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.298 -3.659 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 60 0.003 -3.406 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.699 -5.170 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.001 -4.608 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.494 -6.168 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.563 -4.499 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.985 -5.370 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.966 -3.591 -7.163 1.00 0.00 H new ATOM 892 N SER A 61 -2.695 -6.184 -5.558 1.00 0.00 N ATOM 893 CA SER A 61 -3.295 -7.474 -5.780 1.00 0.00 C ATOM 894 C SER A 61 -2.426 -8.071 -6.877 1.00 0.00 C ATOM 895 O SER A 61 -2.840 -8.227 -8.019 1.00 0.00 O ATOM 896 CB SER A 61 -4.800 -7.296 -6.160 1.00 0.00 C ATOM 897 OG SER A 61 -5.582 -6.220 -5.499 1.00 0.00 O ATOM 0 H SER A 61 -2.633 -5.606 -6.396 1.00 0.00 H new ATOM 0 HA SER A 61 -3.321 -8.135 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.851 -7.128 -7.236 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.305 -8.241 -5.961 1.00 0.00 H new ATOM 0 HG SER A 61 -5.229 -5.346 -5.768 1.00 0.00 H new ATOM 903 N SER A 62 -1.182 -8.368 -6.431 1.00 0.00 N ATOM 904 CA SER A 62 -0.189 -8.928 -7.327 1.00 0.00 C ATOM 905 C SER A 62 1.019 -9.263 -6.467 1.00 0.00 C ATOM 906 O SER A 62 1.171 -8.845 -5.326 1.00 0.00 O ATOM 907 CB SER A 62 0.305 -7.889 -8.380 1.00 0.00 C ATOM 908 OG SER A 62 1.483 -7.041 -8.064 1.00 0.00 O ATOM 0 H SER A 62 -0.864 -8.226 -5.472 1.00 0.00 H new ATOM 0 HA SER A 62 -0.626 -9.780 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.529 -8.433 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.529 -7.223 -8.600 1.00 0.00 H new ATOM 0 HG SER A 62 1.362 -6.628 -7.184 1.00 0.00 H new ATOM 914 N LEU A 63 1.898 -10.014 -7.153 1.00 0.00 N ATOM 915 CA LEU A 63 3.151 -10.440 -6.608 1.00 0.00 C ATOM 916 C LEU A 63 4.037 -9.204 -6.762 1.00 0.00 C ATOM 917 O LEU A 63 3.896 -8.215 -6.052 1.00 0.00 O ATOM 918 CB LEU A 63 3.646 -11.706 -7.333 1.00 0.00 C ATOM 919 CG LEU A 63 2.790 -12.974 -7.029 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.396 -14.182 -7.801 1.00 0.00 C ATOM 921 CD2 LEU A 63 1.799 -13.133 -5.845 1.00 0.00 C ATOM 0 H LEU A 63 1.735 -10.333 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 63 3.123 -10.752 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.642 -11.524 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.680 -11.898 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 63 1.753 -12.747 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.807 -15.076 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.382 -13.974 -8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.424 -14.343 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.343 -14.122 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.335 -13.016 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.022 -12.372 -5.916 1.00 0.00 H new ATOM 933 N TYR A 64 4.932 -9.326 -7.754 1.00 0.00 N ATOM 934 CA TYR A 64 5.862 -8.295 -8.104 1.00 0.00 C ATOM 935 C TYR A 64 5.311 -7.622 -9.375 1.00 0.00 C ATOM 936 O TYR A 64 6.062 -7.075 -10.175 1.00 0.00 O ATOM 937 CB TYR A 64 7.260 -8.921 -8.273 1.00 0.00 C ATOM 938 CG TYR A 64 8.326 -8.085 -7.623 1.00 0.00 C ATOM 939 CD1 TYR A 64 8.640 -8.276 -6.283 1.00 0.00 C ATOM 940 CD2 TYR A 64 9.009 -7.118 -8.345 1.00 0.00 C ATOM 941 CE1 TYR A 64 9.629 -7.522 -5.667 1.00 0.00 C ATOM 942 CE2 TYR A 64 9.999 -6.354 -7.744 1.00 0.00 C ATOM 943 CZ TYR A 64 10.316 -6.542 -6.394 1.00 0.00 C ATOM 944 OH TYR A 64 11.312 -5.781 -5.790 1.00 0.00 O ATOM 0 H TYR A 64 5.014 -10.163 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 64 5.973 -7.529 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.266 -9.921 -7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.482 -9.034 -9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.107 -9.022 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.768 -6.958 -9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.869 -7.691 -4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.528 -5.610 -8.321 1.00 0.00 H new ATOM 0 HH TYR A 64 10.923 -4.954 -5.436 1.00 0.00 H new ATOM 954 N GLY A 65 3.961 -7.691 -9.516 1.00 0.00 N ATOM 955 CA GLY A 65 3.274 -7.083 -10.651 1.00 0.00 C ATOM 956 C GLY A 65 3.185 -5.551 -10.497 1.00 0.00 C ATOM 957 O GLY A 65 2.811 -4.838 -11.420 1.00 0.00 O ATOM 0 H GLY A 65 3.344 -8.162 -8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.802 -7.328 -11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.271 -7.501 -10.738 1.00 0.00 H new ATOM 961 N GLN A 66 3.562 -5.105 -9.274 1.00 0.00 N ATOM 962 CA GLN A 66 3.593 -3.700 -8.916 1.00 0.00 C ATOM 963 C GLN A 66 4.906 -3.140 -9.506 1.00 0.00 C ATOM 964 O GLN A 66 4.987 -2.004 -9.957 1.00 0.00 O ATOM 965 CB GLN A 66 3.460 -3.550 -7.385 1.00 0.00 C ATOM 966 CG GLN A 66 4.636 -4.150 -6.589 1.00 0.00 C ATOM 967 CD GLN A 66 4.382 -4.077 -5.075 1.00 0.00 C ATOM 968 OE1 GLN A 66 4.085 -3.025 -4.524 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.521 -5.261 -4.447 1.00 0.00 N ATOM 0 H GLN A 66 3.851 -5.726 -8.518 1.00 0.00 H new ATOM 0 HA GLN A 66 2.759 -3.128 -9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.373 -2.491 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.535 -4.029 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.786 -5.188 -6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.553 -3.614 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.771 -6.094 -4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.376 -5.324 -3.439 1.00 0.00 H new ATOM 978 N GLY A 67 5.916 -4.031 -9.482 1.00 0.00 N ATOM 979 CA GLY A 67 7.244 -3.738 -10.005 1.00 0.00 C ATOM 980 C GLY A 67 8.139 -3.056 -8.965 1.00 0.00 C ATOM 981 O GLY A 67 7.753 -2.818 -7.829 1.00 0.00 O ATOM 0 H GLY A 67 5.824 -4.971 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.715 -4.664 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.154 -3.096 -10.881 1.00 0.00 H new ATOM 985 N GLU A 68 9.359 -2.752 -9.463 1.00 0.00 N ATOM 986 CA GLU A 68 10.396 -2.104 -8.675 1.00 0.00 C ATOM 987 C GLU A 68 10.074 -0.602 -8.578 1.00 0.00 C ATOM 988 O GLU A 68 10.681 0.107 -7.786 1.00 0.00 O ATOM 989 CB GLU A 68 11.771 -2.287 -9.347 1.00 0.00 C ATOM 990 CG GLU A 68 12.258 -3.742 -9.351 1.00 0.00 C ATOM 991 CD GLU A 68 13.649 -3.847 -9.998 1.00 0.00 C ATOM 992 OE1 GLU A 68 14.641 -3.647 -9.297 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.726 -4.128 -11.194 1.00 0.00 O ATOM 0 H GLU A 68 9.638 -2.955 -10.423 1.00 0.00 H new ATOM 0 HA GLU A 68 10.429 -2.551 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.716 -1.927 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.505 -1.667 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.297 -4.121 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.550 -4.366 -9.896 1.00 0.00 H new ATOM 1000 N ILE A 69 9.108 -0.148 -9.408 1.00 0.00 N ATOM 1001 CA ILE A 69 8.722 1.253 -9.434 1.00 0.00 C ATOM 1002 C ILE A 69 7.830 1.492 -8.212 1.00 0.00 C ATOM 1003 O ILE A 69 8.039 2.423 -7.445 1.00 0.00 O ATOM 1004 CB ILE A 69 7.979 1.596 -10.770 1.00 0.00 C ATOM 1005 CG1 ILE A 69 8.266 0.699 -12.007 1.00 0.00 C ATOM 1006 CG2 ILE A 69 7.409 3.051 -10.703 1.00 0.00 C ATOM 1007 CD1 ILE A 69 9.727 0.853 -12.445 1.00 0.00 C ATOM 0 H ILE A 69 8.593 -0.740 -10.060 1.00 0.00 H new ATOM 0 HA ILE A 69 9.596 1.903 -9.393 1.00 0.00 H new ATOM 0 HB ILE A 69 7.032 1.164 -11.092 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.059 -0.344 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.602 0.974 -12.827 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.894 3.283 -11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.708 3.129 -9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.227 3.756 -10.556 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.916 0.220 -13.312 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.921 1.893 -12.706 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.385 0.555 -11.628 1.00 0.00 H new ATOM 1019 N ASP A 70 6.836 0.589 -8.077 1.00 0.00 N ATOM 1020 CA ASP A 70 5.877 0.699 -6.991 1.00 0.00 C ATOM 1021 C ASP A 70 6.569 0.320 -5.680 1.00 0.00 C ATOM 1022 O ASP A 70 6.201 0.829 -4.630 1.00 0.00 O ATOM 1023 CB ASP A 70 4.653 -0.197 -7.250 1.00 0.00 C ATOM 1024 CG ASP A 70 3.811 0.206 -8.482 1.00 0.00 C ATOM 1025 OD1 ASP A 70 4.182 1.128 -9.209 1.00 0.00 O ATOM 1026 OD2 ASP A 70 2.775 -0.420 -8.695 1.00 0.00 O ATOM 0 H ASP A 70 6.689 -0.205 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 70 5.518 1.726 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.992 -1.225 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.013 -0.180 -6.368 1.00 0.00 H new ATOM 1031 N CYS A 71 7.584 -0.573 -5.774 1.00 0.00 N ATOM 1032 CA CYS A 71 8.292 -0.987 -4.572 1.00 0.00 C ATOM 1033 C CYS A 71 9.026 0.242 -4.038 1.00 0.00 C ATOM 1034 O CYS A 71 8.792 0.661 -2.913 1.00 0.00 O ATOM 1035 CB CYS A 71 9.295 -2.114 -4.840 1.00 0.00 C ATOM 1036 SG CYS A 71 8.518 -3.708 -5.204 1.00 0.00 S ATOM 0 H CYS A 71 7.910 -0.998 -6.642 1.00 0.00 H new ATOM 0 HA CYS A 71 7.574 -1.378 -3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 71 9.932 -1.830 -5.678 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.943 -2.226 -3.971 1.00 0.00 H new ATOM 0 HG CYS A 71 7.926 -3.648 -6.360 1.00 0.00 H new ATOM 1042 N LYS A 72 9.881 0.812 -4.926 1.00 0.00 N ATOM 1043 CA LYS A 72 10.687 1.974 -4.575 1.00 0.00 C ATOM 1044 C LYS A 72 9.905 3.260 -4.866 1.00 0.00 C ATOM 1045 O LYS A 72 10.475 4.314 -5.110 1.00 0.00 O ATOM 1046 CB LYS A 72 12.053 1.925 -5.284 1.00 0.00 C ATOM 1047 CG LYS A 72 12.957 0.804 -4.751 1.00 0.00 C ATOM 1048 CD LYS A 72 14.252 0.658 -5.566 1.00 0.00 C ATOM 1049 CE LYS A 72 14.080 -0.225 -6.808 1.00 0.00 C ATOM 1050 NZ LYS A 72 13.818 -1.622 -6.480 1.00 0.00 N ATOM 0 H LYS A 72 10.018 0.477 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 72 10.898 1.962 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.898 1.783 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.557 2.883 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.207 1.007 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.411 -0.139 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.595 1.646 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.029 0.234 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.259 0.161 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.981 -0.163 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.978 -2.212 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.457 -1.925 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.832 -1.726 -6.167 1.00 0.00 H new ATOM 1063 N GLY A 73 8.578 3.108 -4.798 1.00 0.00 N ATOM 1064 CA GLY A 73 7.623 4.188 -4.968 1.00 0.00 C ATOM 1065 C GLY A 73 7.214 4.649 -3.563 1.00 0.00 C ATOM 1066 O GLY A 73 6.911 5.809 -3.321 1.00 0.00 O ATOM 0 H GLY A 73 8.136 2.206 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.066 5.010 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.754 3.849 -5.531 1.00 0.00 H new ATOM 1070 N LEU A 74 7.262 3.631 -2.669 1.00 0.00 N ATOM 1071 CA LEU A 74 6.942 3.753 -1.262 1.00 0.00 C ATOM 1072 C LEU A 74 8.227 4.110 -0.521 1.00 0.00 C ATOM 1073 O LEU A 74 8.196 4.825 0.472 1.00 0.00 O ATOM 1074 CB LEU A 74 6.400 2.402 -0.761 1.00 0.00 C ATOM 1075 CG LEU A 74 5.334 1.822 -1.762 1.00 0.00 C ATOM 1076 CD1 LEU A 74 4.750 0.391 -2.076 1.00 0.00 C ATOM 1077 CD2 LEU A 74 4.196 2.862 -1.814 1.00 0.00 C ATOM 0 H LEU A 74 7.534 2.684 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 74 6.190 4.523 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.222 1.695 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.950 2.528 0.224 1.00 0.00 H new ATOM 0 HG LEU A 74 6.109 1.578 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.009 0.467 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.557 -0.270 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.279 -0.015 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.419 2.517 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.774 2.989 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.590 3.815 -2.166 1.00 0.00 H new ATOM 1089 N ARG A 75 9.356 3.566 -1.036 1.00 0.00 N ATOM 1090 CA ARG A 75 10.649 3.840 -0.422 1.00 0.00 C ATOM 1091 C ARG A 75 10.989 5.300 -0.778 1.00 0.00 C ATOM 1092 O ARG A 75 11.738 5.961 -0.073 1.00 0.00 O ATOM 1093 CB ARG A 75 11.729 2.843 -0.890 1.00 0.00 C ATOM 1094 CG ARG A 75 11.279 1.372 -0.841 1.00 0.00 C ATOM 1095 CD ARG A 75 11.056 0.770 0.562 1.00 0.00 C ATOM 1096 NE ARG A 75 9.864 -0.081 0.631 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.576 -1.083 -0.235 1.00 0.00 C ATOM 1098 NH1 ARG A 75 10.408 -1.433 -1.213 1.00 0.00 N ATOM 1099 NH2 ARG A 75 8.430 -1.742 -0.105 1.00 0.00 N ATOM 0 H ARG A 75 9.386 2.954 -1.852 1.00 0.00 H new ATOM 0 HA ARG A 75 10.611 3.712 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.021 3.090 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.615 2.963 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.350 1.280 -1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 75 12.026 0.769 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.931 0.185 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.963 1.577 1.288 1.00 0.00 H new ATOM 0 HE ARG A 75 9.202 0.094 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.295 -0.942 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.159 -2.192 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.779 -1.492 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.201 -2.498 -0.750 1.00 0.00 H new ATOM 1113 N GLU A 76 10.378 5.757 -1.901 1.00 0.00 N ATOM 1114 CA GLU A 76 10.532 7.114 -2.385 1.00 0.00 C ATOM 1115 C GLU A 76 9.574 7.993 -1.559 1.00 0.00 C ATOM 1116 O GLU A 76 9.874 9.153 -1.319 1.00 0.00 O ATOM 1117 CB GLU A 76 10.200 7.158 -3.888 1.00 0.00 C ATOM 1118 CG GLU A 76 10.147 8.573 -4.487 1.00 0.00 C ATOM 1119 CD GLU A 76 9.802 8.506 -5.985 1.00 0.00 C ATOM 1120 OE1 GLU A 76 8.623 8.363 -6.312 1.00 0.00 O ATOM 1121 OE2 GLU A 76 10.713 8.596 -6.808 1.00 0.00 O ATOM 0 H GLU A 76 9.770 5.180 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 76 11.553 7.479 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.946 6.576 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.238 6.672 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.402 9.170 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.108 9.070 -4.350 1.00 0.00 H new ATOM 1128 N LYS A 77 8.429 7.397 -1.132 1.00 0.00 N ATOM 1129 CA LYS A 77 7.415 8.088 -0.354 1.00 0.00 C ATOM 1130 C LYS A 77 7.894 8.225 1.114 1.00 0.00 C ATOM 1131 O LYS A 77 7.325 8.981 1.892 1.00 0.00 O ATOM 1132 CB LYS A 77 6.111 7.267 -0.421 1.00 0.00 C ATOM 1133 CG LYS A 77 4.857 8.017 0.031 1.00 0.00 C ATOM 1134 CD LYS A 77 3.617 7.113 -0.001 1.00 0.00 C ATOM 1135 CE LYS A 77 2.327 7.891 0.246 1.00 0.00 C ATOM 1136 NZ LYS A 77 1.951 8.713 -0.892 1.00 0.00 N ATOM 0 H LYS A 77 8.201 6.422 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 77 7.240 9.087 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.964 6.927 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.227 6.376 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.004 8.398 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.696 8.880 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.558 6.614 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.719 6.333 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.521 7.192 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.450 8.525 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.295 9.458 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.802 9.149 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.486 8.121 -1.610 1.00 0.00 H new ATOM 1149 N CYS A 78 8.938 7.438 1.452 1.00 0.00 N ATOM 1150 CA CYS A 78 9.526 7.390 2.785 1.00 0.00 C ATOM 1151 C CYS A 78 10.622 8.421 2.828 1.00 0.00 C ATOM 1152 O CYS A 78 10.753 9.243 3.727 1.00 0.00 O ATOM 1153 CB CYS A 78 9.985 5.965 3.131 1.00 0.00 C ATOM 1154 SG CYS A 78 10.807 5.846 4.739 1.00 0.00 S ATOM 0 H CYS A 78 9.395 6.813 0.788 1.00 0.00 H new ATOM 0 HA CYS A 78 8.797 7.635 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.121 5.301 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 78 10.666 5.612 2.356 1.00 0.00 H new ATOM 0 HG CYS A 78 11.161 4.614 4.956 1.00 0.00 H new ATOM 1160 N ASP A 79 11.368 8.291 1.734 1.00 0.00 N ATOM 1161 CA ASP A 79 12.502 9.112 1.397 1.00 0.00 C ATOM 1162 C ASP A 79 12.006 10.503 0.976 1.00 0.00 C ATOM 1163 O ASP A 79 12.787 11.412 0.724 1.00 0.00 O ATOM 1164 CB ASP A 79 13.431 8.409 0.387 1.00 0.00 C ATOM 1165 CG ASP A 79 14.752 9.171 0.178 1.00 0.00 C ATOM 1166 OD1 ASP A 79 15.592 9.151 1.078 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.928 9.775 -0.880 1.00 0.00 O ATOM 0 H ASP A 79 11.180 7.574 1.033 1.00 0.00 H new ATOM 0 HA ASP A 79 13.139 9.263 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.648 7.400 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.916 8.310 -0.569 1.00 0.00 H new ATOM 1172 N GLU A 80 10.671 10.611 0.943 1.00 0.00 N ATOM 1173 CA GLU A 80 9.979 11.835 0.630 1.00 0.00 C ATOM 1174 C GLU A 80 9.987 12.622 1.935 1.00 0.00 C ATOM 1175 O GLU A 80 10.449 13.753 2.017 1.00 0.00 O ATOM 1176 CB GLU A 80 8.535 11.626 0.130 1.00 0.00 C ATOM 1177 CG GLU A 80 7.795 12.946 -0.145 1.00 0.00 C ATOM 1178 CD GLU A 80 8.393 13.690 -1.350 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.040 13.358 -2.481 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.202 14.595 -1.144 1.00 0.00 O ATOM 0 H GLU A 80 10.046 9.829 1.138 1.00 0.00 H new ATOM 0 HA GLU A 80 10.474 12.350 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.556 11.031 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.979 11.053 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.741 12.741 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.846 13.583 0.738 1.00 0.00 H new ATOM 1187 N ALA A 81 9.420 11.908 2.933 1.00 0.00 N ATOM 1188 CA ALA A 81 9.268 12.397 4.297 1.00 0.00 C ATOM 1189 C ALA A 81 8.394 13.661 4.222 1.00 0.00 C ATOM 1190 O ALA A 81 8.716 14.704 4.778 1.00 0.00 O ATOM 1191 CB ALA A 81 10.633 12.642 4.966 1.00 0.00 C ATOM 0 H ALA A 81 9.054 10.965 2.799 1.00 0.00 H new ATOM 0 HA ALA A 81 8.782 11.655 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.480 13.006 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.196 11.709 4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.190 13.384 4.395 1.00 0.00 H new ATOM 1197 N GLY A 82 7.275 13.483 3.488 1.00 0.00 N ATOM 1198 CA GLY A 82 6.315 14.560 3.279 1.00 0.00 C ATOM 1199 C GLY A 82 4.945 13.978 2.913 1.00 0.00 C ATOM 1200 O GLY A 82 3.910 14.424 3.394 1.00 0.00 O ATOM 0 H GLY A 82 7.025 12.603 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.233 15.165 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.663 15.219 2.484 1.00 0.00 H new ATOM 1204 N LEU A 83 5.017 12.949 2.038 1.00 0.00 N ATOM 1205 CA LEU A 83 3.825 12.252 1.587 1.00 0.00 C ATOM 1206 C LEU A 83 3.463 11.303 2.732 1.00 0.00 C ATOM 1207 O LEU A 83 4.272 10.493 3.170 1.00 0.00 O ATOM 1208 CB LEU A 83 4.124 11.441 0.314 1.00 0.00 C ATOM 1209 CG LEU A 83 4.254 12.298 -0.984 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.035 11.465 -2.044 1.00 0.00 C ATOM 1211 CD2 LEU A 83 3.247 13.391 -1.391 1.00 0.00 C ATOM 0 H LEU A 83 5.888 12.597 1.642 1.00 0.00 H new ATOM 0 HA LEU A 83 3.018 12.944 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.050 10.885 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.331 10.707 0.172 1.00 0.00 H new ATOM 0 HG LEU A 83 4.816 13.192 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.137 12.046 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.024 11.220 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.491 10.545 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.560 13.841 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.258 12.948 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.210 14.158 -0.617 1.00 0.00 H new ATOM 1223 N LYS A 84 2.194 11.459 3.180 1.00 0.00 N ATOM 1224 CA LYS A 84 1.675 10.630 4.259 1.00 0.00 C ATOM 1225 C LYS A 84 1.439 9.257 3.628 1.00 0.00 C ATOM 1226 O LYS A 84 0.653 9.103 2.704 1.00 0.00 O ATOM 1227 CB LYS A 84 0.404 11.239 4.891 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.771 11.505 3.926 1.00 0.00 C ATOM 1229 CD LYS A 84 -1.919 10.484 4.001 1.00 0.00 C ATOM 1230 CE LYS A 84 -2.685 10.499 5.327 1.00 0.00 C ATOM 1231 NZ LYS A 84 -3.930 9.747 5.265 1.00 0.00 N ATOM 0 H LYS A 84 1.533 12.142 2.810 1.00 0.00 H new ATOM 0 HA LYS A 84 2.372 10.556 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.057 10.570 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.675 12.180 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.173 12.497 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.387 11.523 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.618 10.679 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.513 9.485 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.053 10.083 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.902 11.530 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.729 10.380 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.046 9.345 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.906 8.978 5.965 1.00 0.00 H new ATOM 1244 N GLY A 85 2.205 8.292 4.176 1.00 0.00 N ATOM 1245 CA GLY A 85 2.142 6.918 3.711 1.00 0.00 C ATOM 1246 C GLY A 85 3.504 6.251 3.900 1.00 0.00 C ATOM 1247 O GLY A 85 4.467 6.520 3.192 1.00 0.00 O ATOM 0 H GLY A 85 2.866 8.451 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.378 6.371 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.855 6.892 2.660 1.00 0.00 H new ATOM 1251 N ILE A 86 3.497 5.366 4.913 1.00 0.00 N ATOM 1252 CA ILE A 86 4.675 4.599 5.275 1.00 0.00 C ATOM 1253 C ILE A 86 4.133 3.370 6.003 1.00 0.00 C ATOM 1254 O ILE A 86 4.597 2.985 7.069 1.00 0.00 O ATOM 1255 CB ILE A 86 5.665 5.415 6.164 1.00 0.00 C ATOM 1256 CG1 ILE A 86 7.145 4.961 6.120 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.886 6.237 7.242 1.00 0.00 C ATOM 1258 CD1 ILE A 86 8.110 5.698 7.072 1.00 0.00 C ATOM 0 H ILE A 86 2.679 5.173 5.490 1.00 0.00 H new ATOM 0 HA ILE A 86 5.261 4.327 4.397 1.00 0.00 H new ATOM 0 HB ILE A 86 6.213 6.314 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.184 3.896 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.511 5.081 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.593 6.799 7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.203 6.928 6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.319 5.557 7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.116 5.296 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.114 6.762 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.783 5.558 8.102 1.00 0.00 H new ATOM 1270 N LYS A 87 3.106 2.803 5.339 1.00 0.00 N ATOM 1271 CA LYS A 87 2.405 1.622 5.801 1.00 0.00 C ATOM 1272 C LYS A 87 1.929 0.982 4.505 1.00 0.00 C ATOM 1273 O LYS A 87 1.179 1.560 3.730 1.00 0.00 O ATOM 1274 CB LYS A 87 1.210 1.979 6.698 1.00 0.00 C ATOM 1275 CG LYS A 87 1.589 2.538 8.076 1.00 0.00 C ATOM 1276 CD LYS A 87 2.369 1.533 8.935 1.00 0.00 C ATOM 1277 CE LYS A 87 2.554 2.007 10.379 1.00 0.00 C ATOM 1278 NZ LYS A 87 3.401 3.190 10.476 1.00 0.00 N ATOM 0 H LYS A 87 2.747 3.169 4.457 1.00 0.00 H new ATOM 0 HA LYS A 87 3.034 0.972 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.591 2.712 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.599 1.088 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.189 3.438 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.683 2.833 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.844 0.578 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.347 1.360 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.579 2.226 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.992 1.202 10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.494 3.470 11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.342 2.976 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.972 3.969 9.937 1.00 0.00 H new ATOM 1291 N LEU A 88 2.412 -0.251 4.314 1.00 0.00 N ATOM 1292 CA LEU A 88 2.071 -0.955 3.098 1.00 0.00 C ATOM 1293 C LEU A 88 1.808 -2.386 3.512 1.00 0.00 C ATOM 1294 O LEU A 88 2.349 -2.893 4.485 1.00 0.00 O ATOM 1295 CB LEU A 88 3.249 -0.822 2.116 1.00 0.00 C ATOM 1296 CG LEU A 88 3.221 0.542 1.359 1.00 0.00 C ATOM 1297 CD1 LEU A 88 2.097 0.479 0.292 1.00 0.00 C ATOM 1298 CD2 LEU A 88 3.735 1.918 1.845 1.00 0.00 C ATOM 0 H LEU A 88 3.015 -0.756 4.963 1.00 0.00 H new ATOM 0 HA LEU A 88 1.191 -0.559 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.189 -0.916 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.215 -1.639 1.395 1.00 0.00 H new ATOM 0 HG LEU A 88 4.264 0.613 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.058 1.423 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.303 -0.333 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.140 0.302 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.563 2.665 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.202 2.206 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.802 1.854 2.057 1.00 0.00 H new ATOM 1310 N PHE A 89 0.889 -2.981 2.722 1.00 0.00 N ATOM 1311 CA PHE A 89 0.526 -4.367 2.923 1.00 0.00 C ATOM 1312 C PHE A 89 0.394 -4.886 1.480 1.00 0.00 C ATOM 1313 O PHE A 89 -0.625 -4.794 0.807 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.708 -4.480 3.844 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.685 -5.642 4.814 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.217 -6.706 4.711 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.615 -5.670 5.846 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.160 -7.777 5.592 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.658 -6.733 6.736 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.779 -7.793 6.608 1.00 0.00 C ATOM 0 H PHE A 89 0.401 -2.517 1.955 1.00 0.00 H new ATOM 0 HA PHE A 89 1.242 -4.985 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.803 -3.555 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.599 -4.565 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.968 -6.694 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.313 -4.854 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.851 -8.600 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.384 -6.733 7.536 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.825 -8.625 7.295 1.00 0.00 H new ATOM 1330 N VAL A 90 1.529 -5.453 1.065 1.00 0.00 N ATOM 1331 CA VAL A 90 1.719 -5.949 -0.275 1.00 0.00 C ATOM 1332 C VAL A 90 1.288 -7.418 -0.349 1.00 0.00 C ATOM 1333 O VAL A 90 1.965 -8.366 0.038 1.00 0.00 O ATOM 1334 CB VAL A 90 3.211 -5.678 -0.665 1.00 0.00 C ATOM 1335 CG1 VAL A 90 3.297 -4.262 -1.320 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.419 -6.268 0.087 1.00 0.00 C ATOM 0 H VAL A 90 2.344 -5.576 1.667 1.00 0.00 H new ATOM 0 HA VAL A 90 1.094 -5.438 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 90 3.466 -6.462 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.329 -4.053 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.667 -4.234 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.954 -3.511 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.342 -5.927 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.397 -5.938 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.374 -7.356 0.051 1.00 0.00 H new ATOM 1346 N GLY A 91 0.057 -7.473 -0.883 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.652 -8.714 -1.151 1.00 0.00 C ATOM 1348 C GLY A 91 -0.042 -9.506 -2.313 1.00 0.00 C ATOM 1349 O GLY A 91 -0.528 -9.464 -3.437 1.00 0.00 O ATOM 0 H GLY A 91 -0.472 -6.640 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.646 -9.332 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.695 -8.490 -1.377 1.00 0.00 H new ATOM 1353 N GLY A 92 1.030 -10.239 -1.939 1.00 0.00 N ATOM 1354 CA GLY A 92 1.786 -11.072 -2.864 1.00 0.00 C ATOM 1355 C GLY A 92 3.286 -10.842 -2.646 1.00 0.00 C ATOM 1356 O GLY A 92 3.948 -11.571 -1.916 1.00 0.00 O ATOM 0 H GLY A 92 1.385 -10.261 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.541 -12.123 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.515 -10.831 -3.892 1.00 0.00 H new ATOM 1360 N ASN A 93 3.764 -9.784 -3.344 1.00 0.00 N ATOM 1361 CA ASN A 93 5.153 -9.340 -3.312 1.00 0.00 C ATOM 1362 C ASN A 93 5.999 -10.466 -3.940 1.00 0.00 C ATOM 1363 O ASN A 93 5.862 -10.784 -5.114 1.00 0.00 O ATOM 1364 CB ASN A 93 5.559 -8.909 -1.884 1.00 0.00 C ATOM 1365 CG ASN A 93 6.895 -8.142 -1.853 1.00 0.00 C ATOM 1366 OD1 ASN A 93 7.175 -7.302 -2.700 1.00 0.00 O ATOM 1367 ND2 ASN A 93 7.694 -8.491 -0.827 1.00 0.00 N ATOM 0 H ASN A 93 3.175 -9.215 -3.951 1.00 0.00 H new ATOM 0 HA ASN A 93 5.321 -8.439 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.774 -8.282 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.637 -9.792 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.605 -8.045 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.389 -9.201 -0.161 1.00 0.00 H new ATOM 1374 N ILE A 94 6.878 -11.041 -3.092 1.00 0.00 N ATOM 1375 CA ILE A 94 7.759 -12.121 -3.491 1.00 0.00 C ATOM 1376 C ILE A 94 7.124 -13.368 -2.864 1.00 0.00 C ATOM 1377 O ILE A 94 6.804 -13.408 -1.682 1.00 0.00 O ATOM 1378 CB ILE A 94 9.215 -11.804 -3.006 1.00 0.00 C ATOM 1379 CG1 ILE A 94 9.725 -10.373 -3.290 1.00 0.00 C ATOM 1380 CG2 ILE A 94 10.048 -13.121 -2.875 1.00 0.00 C ATOM 1381 CD1 ILE A 94 11.167 -10.050 -2.842 1.00 0.00 C ATOM 0 H ILE A 94 6.985 -10.759 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 94 7.859 -12.266 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 94 9.383 -11.505 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 94 9.653 -10.193 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 94 9.051 -9.668 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.056 -12.882 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.571 -13.783 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.098 -13.618 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.405 -9.017 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.252 -10.186 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.864 -10.718 -3.348 1.00 0.00 H new ATOM 1393 N VAL A 95 6.959 -14.372 -3.751 1.00 0.00 N ATOM 1394 CA VAL A 95 6.378 -15.648 -3.379 1.00 0.00 C ATOM 1395 C VAL A 95 7.481 -16.497 -2.727 1.00 0.00 C ATOM 1396 O VAL A 95 8.657 -16.155 -2.757 1.00 0.00 O ATOM 1397 CB VAL A 95 5.803 -16.289 -4.681 1.00 0.00 C ATOM 1398 CG1 VAL A 95 4.331 -15.810 -4.862 1.00 0.00 C ATOM 1399 CG2 VAL A 95 6.687 -16.735 -5.866 1.00 0.00 C ATOM 0 H VAL A 95 7.227 -14.307 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 95 5.566 -15.558 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 95 5.812 -17.372 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.914 -16.249 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.739 -16.122 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.309 -14.723 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.058 -17.150 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.235 -15.877 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.393 -17.494 -5.528 1.00 0.00 H new ATOM 1409 N VAL A 96 6.998 -17.613 -2.130 1.00 0.00 N ATOM 1410 CA VAL A 96 7.799 -18.605 -1.417 1.00 0.00 C ATOM 1411 C VAL A 96 8.815 -17.954 -0.458 1.00 0.00 C ATOM 1412 O VAL A 96 9.996 -18.282 -0.432 1.00 0.00 O ATOM 1413 CB VAL A 96 8.410 -19.669 -2.387 1.00 0.00 C ATOM 1414 CG1 VAL A 96 9.394 -19.032 -3.418 1.00 0.00 C ATOM 1415 CG2 VAL A 96 8.323 -21.216 -2.215 1.00 0.00 C ATOM 0 H VAL A 96 6.005 -17.844 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 96 7.129 -19.168 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 96 7.495 -20.147 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 96 9.792 -19.810 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.864 -18.293 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.214 -18.548 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.839 -21.704 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.792 -21.504 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.277 -21.523 -2.208 1.00 0.00 H new ATOM 1425 N GLY A 97 8.249 -17.014 0.325 1.00 0.00 N ATOM 1426 CA GLY A 97 9.026 -16.270 1.301 1.00 0.00 C ATOM 1427 C GLY A 97 8.107 -15.268 2.001 1.00 0.00 C ATOM 1428 O GLY A 97 7.256 -14.644 1.378 1.00 0.00 O ATOM 0 H GLY A 97 7.261 -16.763 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.468 -16.950 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.849 -15.749 0.811 1.00 0.00 H new ATOM 1432 N LYS A 98 8.325 -15.173 3.329 1.00 0.00 N ATOM 1433 CA LYS A 98 7.540 -14.266 4.150 1.00 0.00 C ATOM 1434 C LYS A 98 8.367 -14.086 5.424 1.00 0.00 C ATOM 1435 O LYS A 98 8.535 -15.009 6.212 1.00 0.00 O ATOM 1436 CB LYS A 98 6.126 -14.820 4.411 1.00 0.00 C ATOM 1437 CG LYS A 98 5.232 -13.829 5.171 1.00 0.00 C ATOM 1438 CD LYS A 98 3.743 -14.213 5.150 1.00 0.00 C ATOM 1439 CE LYS A 98 3.449 -15.583 5.773 1.00 0.00 C ATOM 1440 NZ LYS A 98 3.868 -15.682 7.166 1.00 0.00 N ATOM 0 H LYS A 98 9.029 -15.709 3.837 1.00 0.00 H new ATOM 0 HA LYS A 98 7.359 -13.307 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.657 -15.070 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.202 -15.745 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.569 -13.766 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.350 -12.837 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.173 -13.452 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.391 -14.210 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.380 -15.783 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.954 -16.355 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.597 -16.612 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.900 -15.571 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.406 -14.934 7.721 1.00 0.00 H new ATOM 1453 N GLN A 99 8.873 -12.833 5.543 1.00 0.00 N ATOM 1454 CA GLN A 99 9.714 -12.338 6.630 1.00 0.00 C ATOM 1455 C GLN A 99 11.162 -12.449 6.124 1.00 0.00 C ATOM 1456 O GLN A 99 11.960 -11.531 6.272 1.00 0.00 O ATOM 1457 CB GLN A 99 9.483 -13.031 7.995 1.00 0.00 C ATOM 1458 CG GLN A 99 9.992 -12.233 9.209 1.00 0.00 C ATOM 1459 CD GLN A 99 11.520 -12.083 9.237 1.00 0.00 C ATOM 1460 OE1 GLN A 99 12.060 -10.988 9.128 1.00 0.00 O ATOM 1461 NE2 GLN A 99 12.173 -13.249 9.389 1.00 0.00 N ATOM 0 H GLN A 99 8.689 -12.115 4.842 1.00 0.00 H new ATOM 0 HA GLN A 99 9.453 -11.305 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.416 -13.216 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.975 -14.003 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.536 -11.243 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.665 -12.728 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.649 -14.120 9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.192 -13.262 9.420 1.00 0.00 H new ATOM 1470 N ASN A 100 11.446 -13.624 5.520 1.00 0.00 N ATOM 1471 CA ASN A 100 12.750 -13.932 4.963 1.00 0.00 C ATOM 1472 C ASN A 100 12.660 -13.447 3.516 1.00 0.00 C ATOM 1473 O ASN A 100 11.744 -13.809 2.786 1.00 0.00 O ATOM 1474 CB ASN A 100 13.040 -15.444 5.075 1.00 0.00 C ATOM 1475 CG ASN A 100 11.925 -16.321 4.465 1.00 0.00 C ATOM 1476 OD1 ASN A 100 10.890 -16.561 5.073 1.00 0.00 O ATOM 1477 ND2 ASN A 100 12.213 -16.780 3.233 1.00 0.00 N ATOM 0 H ASN A 100 10.766 -14.376 5.413 1.00 0.00 H new ATOM 0 HA ASN A 100 13.575 -13.450 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.983 -15.665 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.167 -15.707 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.545 -17.373 2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.099 -16.535 2.792 1.00 0.00 H new ATOM 1484 N TRP A 101 13.651 -12.598 3.158 1.00 0.00 N ATOM 1485 CA TRP A 101 13.682 -12.036 1.816 1.00 0.00 C ATOM 1486 C TRP A 101 15.149 -12.085 1.366 1.00 0.00 C ATOM 1487 O TRP A 101 16.049 -12.173 2.194 1.00 0.00 O ATOM 1488 CB TRP A 101 13.218 -10.568 1.829 1.00 0.00 C ATOM 1489 CG TRP A 101 11.854 -10.447 2.466 1.00 0.00 C ATOM 1490 CD1 TRP A 101 11.570 -9.840 3.691 1.00 0.00 C ATOM 1491 CD2 TRP A 101 10.603 -10.937 1.949 1.00 0.00 C ATOM 1492 NE1 TRP A 101 10.243 -9.936 3.941 1.00 0.00 N ATOM 1493 CE2 TRP A 101 9.612 -10.601 2.899 1.00 0.00 C ATOM 1494 CE3 TRP A 101 10.264 -11.607 0.805 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 8.311 -10.948 2.674 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.937 -11.961 0.577 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.959 -11.631 1.511 1.00 0.00 C ATOM 0 H TRP A 101 14.412 -12.302 3.769 1.00 0.00 H new ATOM 0 HA TRP A 101 13.022 -12.594 1.152 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.937 -9.959 2.377 1.00 0.00 H new ATOM 0 HB3 TRP A 101 13.185 -10.182 0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 101 12.295 -9.368 4.337 1.00 0.00 H new ATOM 0 HE1 TRP A 101 9.776 -9.573 4.772 1.00 0.00 H new ATOM 0 HE3 TRP A 101 11.024 -11.861 0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.552 -10.693 3.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.666 -12.491 -0.324 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.929 -11.904 1.335 1.00 0.00 H new ATOM 1508 N PRO A 102 15.375 -12.010 0.015 1.00 0.00 N ATOM 1509 CA PRO A 102 16.730 -12.014 -0.537 1.00 0.00 C ATOM 1510 C PRO A 102 17.374 -10.636 -0.222 1.00 0.00 C ATOM 1511 O PRO A 102 17.064 -9.985 0.770 1.00 0.00 O ATOM 1512 CB PRO A 102 16.537 -12.290 -2.053 1.00 0.00 C ATOM 1513 CG PRO A 102 15.064 -12.650 -2.242 1.00 0.00 C ATOM 1514 CD PRO A 102 14.337 -12.102 -1.016 1.00 0.00 C ATOM 0 HA PRO A 102 17.400 -12.765 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.801 -11.413 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 102 17.181 -13.104 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.669 -12.211 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.933 -13.729 -2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.893 -11.128 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.527 -12.763 -0.706 1.00 0.00 H new ATOM 1522 N ASP A 103 18.257 -10.215 -1.158 1.00 0.00 N ATOM 1523 CA ASP A 103 18.991 -8.962 -1.051 1.00 0.00 C ATOM 1524 C ASP A 103 18.034 -7.801 -1.377 1.00 0.00 C ATOM 1525 O ASP A 103 18.285 -6.660 -1.005 1.00 0.00 O ATOM 1526 CB ASP A 103 20.222 -8.980 -1.982 1.00 0.00 C ATOM 1527 CG ASP A 103 19.846 -9.197 -3.463 1.00 0.00 C ATOM 1528 OD1 ASP A 103 19.783 -10.348 -3.896 1.00 0.00 O ATOM 1529 OD2 ASP A 103 19.622 -8.212 -4.166 1.00 0.00 O ATOM 0 H ASP A 103 18.470 -10.745 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 103 19.366 -8.827 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.761 -8.038 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 103 20.901 -9.771 -1.664 1.00 0.00 H new ATOM 1534 N VAL A 104 16.934 -8.151 -2.083 1.00 0.00 N ATOM 1535 CA VAL A 104 15.935 -7.173 -2.483 1.00 0.00 C ATOM 1536 C VAL A 104 15.314 -6.481 -1.270 1.00 0.00 C ATOM 1537 O VAL A 104 15.503 -5.283 -1.109 1.00 0.00 O ATOM 1538 CB VAL A 104 14.859 -7.767 -3.449 1.00 0.00 C ATOM 1539 CG1 VAL A 104 14.383 -9.173 -2.973 1.00 0.00 C ATOM 1540 CG2 VAL A 104 13.947 -6.868 -4.303 1.00 0.00 C ATOM 0 H VAL A 104 16.730 -9.105 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 104 16.455 -6.407 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 104 15.392 -7.925 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.635 -9.558 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.234 -9.854 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.947 -9.092 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.277 -7.489 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.359 -6.222 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 104 14.558 -6.255 -4.966 1.00 0.00 H new ATOM 1550 N GLU A 105 14.592 -7.253 -0.417 1.00 0.00 N ATOM 1551 CA GLU A 105 14.006 -6.592 0.735 1.00 0.00 C ATOM 1552 C GLU A 105 15.027 -6.639 1.877 1.00 0.00 C ATOM 1553 O GLU A 105 14.630 -6.479 3.015 1.00 0.00 O ATOM 1554 CB GLU A 105 12.655 -7.160 1.213 1.00 0.00 C ATOM 1555 CG GLU A 105 11.670 -7.612 0.119 1.00 0.00 C ATOM 1556 CD GLU A 105 11.068 -6.450 -0.688 1.00 0.00 C ATOM 1557 OE1 GLU A 105 10.479 -5.553 -0.084 1.00 0.00 O ATOM 1558 OE2 GLU A 105 11.182 -6.460 -1.913 1.00 0.00 O ATOM 0 H GLU A 105 14.420 -8.254 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 105 13.775 -5.573 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.855 -8.011 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.163 -6.401 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.184 -8.289 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.862 -8.179 0.581 1.00 0.00 H new ATOM 1565 N GLN A 106 16.331 -6.877 1.588 1.00 0.00 N ATOM 1566 CA GLN A 106 17.306 -6.845 2.678 1.00 0.00 C ATOM 1567 C GLN A 106 17.457 -5.353 3.041 1.00 0.00 C ATOM 1568 O GLN A 106 17.552 -4.970 4.201 1.00 0.00 O ATOM 1569 CB GLN A 106 18.647 -7.453 2.240 1.00 0.00 C ATOM 1570 CG GLN A 106 19.710 -7.454 3.349 1.00 0.00 C ATOM 1571 CD GLN A 106 21.009 -8.100 2.850 1.00 0.00 C ATOM 1572 OE1 GLN A 106 21.997 -7.431 2.574 1.00 0.00 O ATOM 1573 NE2 GLN A 106 20.937 -9.441 2.757 1.00 0.00 N ATOM 0 H GLN A 106 16.705 -7.081 0.661 1.00 0.00 H new ATOM 0 HA GLN A 106 16.979 -7.436 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.481 -8.477 1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 106 19.027 -6.896 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.907 -6.432 3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.337 -7.997 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 106 20.074 -9.924 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 106 21.745 -9.974 2.437 1.00 0.00 H new ATOM 1582 N ARG A 107 17.448 -4.548 1.954 1.00 0.00 N ATOM 1583 CA ARG A 107 17.551 -3.105 2.063 1.00 0.00 C ATOM 1584 C ARG A 107 16.148 -2.584 2.415 1.00 0.00 C ATOM 1585 O ARG A 107 16.029 -1.597 3.130 1.00 0.00 O ATOM 1586 CB ARG A 107 18.121 -2.489 0.768 1.00 0.00 C ATOM 1587 CG ARG A 107 17.437 -2.988 -0.517 1.00 0.00 C ATOM 1588 CD ARG A 107 17.940 -2.297 -1.790 1.00 0.00 C ATOM 1589 NE ARG A 107 17.616 -0.876 -1.757 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.695 -0.088 -2.853 1.00 0.00 C ATOM 1591 NH1 ARG A 107 18.093 -0.574 -4.027 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.368 1.197 -2.756 1.00 0.00 N ATOM 0 H ARG A 107 17.370 -4.890 0.996 1.00 0.00 H new ATOM 0 HA ARG A 107 18.252 -2.812 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.025 -1.405 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.186 -2.712 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.597 -4.062 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.362 -2.832 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.018 -2.429 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.487 -2.760 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 107 17.319 -0.461 -0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.346 -1.559 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.145 0.038 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.061 1.579 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.424 1.801 -3.576 1.00 0.00 H new ATOM 1606 N PHE A 108 15.098 -3.290 1.911 1.00 0.00 N ATOM 1607 CA PHE A 108 13.740 -2.844 2.218 1.00 0.00 C ATOM 1608 C PHE A 108 13.256 -3.569 3.493 1.00 0.00 C ATOM 1609 O PHE A 108 12.059 -3.607 3.738 1.00 0.00 O ATOM 1610 CB PHE A 108 12.748 -3.038 1.051 1.00 0.00 C ATOM 1611 CG PHE A 108 13.288 -2.598 -0.288 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.888 -1.352 -0.450 1.00 0.00 C ATOM 1613 CD2 PHE A 108 13.183 -3.436 -1.394 1.00 0.00 C ATOM 1614 CE1 PHE A 108 14.372 -0.958 -1.690 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.671 -3.049 -2.633 1.00 0.00 C ATOM 1616 CZ PHE A 108 14.268 -1.810 -2.780 1.00 0.00 C ATOM 0 H PHE A 108 15.171 -4.122 1.325 1.00 0.00 H new ATOM 0 HA PHE A 108 13.772 -1.767 2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.472 -4.091 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.836 -2.481 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.978 -0.687 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.714 -4.403 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.830 0.013 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.585 -3.713 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.653 -1.506 -3.742 1.00 0.00 H new ATOM 1626 N LYS A 109 14.195 -4.192 4.253 1.00 0.00 N ATOM 1627 CA LYS A 109 13.870 -4.844 5.526 1.00 0.00 C ATOM 1628 C LYS A 109 14.067 -3.743 6.570 1.00 0.00 C ATOM 1629 O LYS A 109 13.291 -3.588 7.505 1.00 0.00 O ATOM 1630 CB LYS A 109 14.744 -6.080 5.848 1.00 0.00 C ATOM 1631 CG LYS A 109 14.032 -7.427 5.611 1.00 0.00 C ATOM 1632 CD LYS A 109 13.301 -7.976 6.845 1.00 0.00 C ATOM 1633 CE LYS A 109 12.037 -7.191 7.207 1.00 0.00 C ATOM 1634 NZ LYS A 109 11.289 -7.822 8.287 1.00 0.00 N ATOM 0 H LYS A 109 15.180 -4.250 3.996 1.00 0.00 H new ATOM 0 HA LYS A 109 12.858 -5.248 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 109 15.646 -6.044 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.062 -6.027 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.314 -7.308 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.767 -8.161 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.033 -9.017 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.982 -7.964 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.312 -6.178 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.400 -7.106 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.277 -7.834 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.625 -8.797 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.431 -7.286 9.167 1.00 0.00 H new ATOM 1647 N ALA A 110 15.175 -2.995 6.325 1.00 0.00 N ATOM 1648 CA ALA A 110 15.595 -1.876 7.154 1.00 0.00 C ATOM 1649 C ALA A 110 14.462 -0.842 7.138 1.00 0.00 C ATOM 1650 O ALA A 110 14.201 -0.176 8.132 1.00 0.00 O ATOM 1651 CB ALA A 110 16.909 -1.287 6.619 1.00 0.00 C ATOM 0 H ALA A 110 15.796 -3.168 5.534 1.00 0.00 H new ATOM 0 HA ALA A 110 15.785 -2.194 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.215 -0.450 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.684 -2.053 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.762 -0.939 5.597 1.00 0.00 H new ATOM 1657 N MET A 111 13.803 -0.759 5.957 1.00 0.00 N ATOM 1658 CA MET A 111 12.679 0.140 5.789 1.00 0.00 C ATOM 1659 C MET A 111 11.499 -0.648 6.375 1.00 0.00 C ATOM 1660 O MET A 111 10.850 -0.211 7.318 1.00 0.00 O ATOM 1661 CB MET A 111 12.533 0.526 4.306 1.00 0.00 C ATOM 1662 CG MET A 111 13.792 1.236 3.789 1.00 0.00 C ATOM 1663 SD MET A 111 13.563 1.937 2.146 1.00 0.00 S ATOM 1664 CE MET A 111 13.075 3.606 2.621 1.00 0.00 C ATOM 0 H MET A 111 14.040 -1.304 5.128 1.00 0.00 H new ATOM 0 HA MET A 111 12.775 1.100 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.347 -0.369 3.712 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.668 1.177 4.181 1.00 0.00 H new ATOM 0 HG2 MET A 111 14.069 2.029 4.483 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.621 0.528 3.766 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.802 4.173 1.731 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.221 3.557 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 111 13.907 4.099 3.124 1.00 0.00 H new ATOM 1674 N GLY A 112 11.309 -1.843 5.760 1.00 0.00 N ATOM 1675 CA GLY A 112 10.311 -2.861 6.086 1.00 0.00 C ATOM 1676 C GLY A 112 9.007 -2.386 6.737 1.00 0.00 C ATOM 1677 O GLY A 112 8.505 -2.997 7.673 1.00 0.00 O ATOM 0 H GLY A 112 11.893 -2.127 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.056 -3.389 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.776 -3.587 6.753 1.00 0.00 H new ATOM 1681 N PHE A 113 8.492 -1.274 6.173 1.00 0.00 N ATOM 1682 CA PHE A 113 7.231 -0.720 6.649 1.00 0.00 C ATOM 1683 C PHE A 113 6.102 -1.421 5.864 1.00 0.00 C ATOM 1684 O PHE A 113 4.925 -1.171 6.098 1.00 0.00 O ATOM 1685 CB PHE A 113 7.200 0.814 6.492 1.00 0.00 C ATOM 1686 CG PHE A 113 7.629 1.288 5.126 1.00 0.00 C ATOM 1687 CD1 PHE A 113 6.842 1.046 4.004 1.00 0.00 C ATOM 1688 CD2 PHE A 113 8.827 1.980 4.969 1.00 0.00 C ATOM 1689 CE1 PHE A 113 7.251 1.470 2.750 1.00 0.00 C ATOM 1690 CE2 PHE A 113 9.229 2.419 3.716 1.00 0.00 C ATOM 1691 CZ PHE A 113 8.441 2.162 2.606 1.00 0.00 C ATOM 0 H PHE A 113 8.926 -0.760 5.406 1.00 0.00 H new ATOM 0 HA PHE A 113 7.102 -0.902 7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.190 1.171 6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.850 1.261 7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.903 0.523 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.449 2.177 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.641 1.260 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.156 2.961 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.755 2.501 1.630 1.00 0.00 H new ATOM 1701 N ASP A 114 6.529 -2.296 4.923 1.00 0.00 N ATOM 1702 CA ASP A 114 5.645 -3.058 4.073 1.00 0.00 C ATOM 1703 C ASP A 114 5.677 -4.483 4.632 1.00 0.00 C ATOM 1704 O ASP A 114 6.736 -5.039 4.897 1.00 0.00 O ATOM 1705 CB ASP A 114 6.121 -2.986 2.604 1.00 0.00 C ATOM 1706 CG ASP A 114 7.531 -3.585 2.384 1.00 0.00 C ATOM 1707 OD1 ASP A 114 8.515 -2.939 2.746 1.00 0.00 O ATOM 1708 OD2 ASP A 114 7.625 -4.690 1.848 1.00 0.00 O ATOM 0 H ASP A 114 7.517 -2.480 4.747 1.00 0.00 H new ATOM 0 HA ASP A 114 4.626 -2.672 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.407 -3.515 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.122 -1.945 2.281 1.00 0.00 H new ATOM 1713 N ARG A 115 4.453 -5.024 4.812 1.00 0.00 N ATOM 1714 CA ARG A 115 4.275 -6.379 5.294 1.00 0.00 C ATOM 1715 C ARG A 115 3.744 -7.072 4.046 1.00 0.00 C ATOM 1716 O ARG A 115 3.428 -6.419 3.062 1.00 0.00 O ATOM 1717 CB ARG A 115 3.320 -6.470 6.505 1.00 0.00 C ATOM 1718 CG ARG A 115 2.516 -5.200 6.846 1.00 0.00 C ATOM 1719 CD ARG A 115 3.376 -4.087 7.467 1.00 0.00 C ATOM 1720 NE ARG A 115 2.580 -3.291 8.394 1.00 0.00 N ATOM 1721 CZ ARG A 115 3.137 -2.312 9.142 1.00 0.00 C ATOM 1722 NH1 ARG A 115 4.412 -1.963 8.988 1.00 0.00 N ATOM 1723 NH2 ARG A 115 2.400 -1.691 10.054 1.00 0.00 N ATOM 0 H ARG A 115 3.581 -4.528 4.626 1.00 0.00 H new ATOM 0 HA ARG A 115 5.184 -6.832 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.615 -7.281 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.906 -6.748 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.044 -4.822 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.715 -5.460 7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 115 4.227 -4.524 7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.779 -3.448 6.681 1.00 0.00 H new ATOM 0 HE ARG A 115 1.581 -3.477 8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.990 -2.437 8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.811 -1.221 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.423 -1.954 10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.810 -0.951 10.624 1.00 0.00 H new ATOM 1737 N VAL A 116 3.679 -8.413 4.115 1.00 0.00 N ATOM 1738 CA VAL A 116 3.191 -9.154 2.958 1.00 0.00 C ATOM 1739 C VAL A 116 2.248 -10.236 3.470 1.00 0.00 C ATOM 1740 O VAL A 116 2.294 -10.639 4.626 1.00 0.00 O ATOM 1741 CB VAL A 116 4.372 -9.734 2.102 1.00 0.00 C ATOM 1742 CG1 VAL A 116 4.251 -10.996 1.175 1.00 0.00 C ATOM 1743 CG2 VAL A 116 5.680 -8.895 2.287 1.00 0.00 C ATOM 0 H VAL A 116 3.946 -8.977 4.922 1.00 0.00 H new ATOM 0 HA VAL A 116 2.649 -8.493 2.282 1.00 0.00 H new ATOM 0 HB VAL A 116 4.317 -10.618 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.210 -11.188 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.966 -11.861 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.493 -10.816 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.477 -9.325 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.500 -7.867 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.976 -8.908 3.336 1.00 0.00 H new ATOM 1753 N TYR A 117 1.407 -10.689 2.517 1.00 0.00 N ATOM 1754 CA TYR A 117 0.421 -11.700 2.831 1.00 0.00 C ATOM 1755 C TYR A 117 1.038 -13.019 2.333 1.00 0.00 C ATOM 1756 O TYR A 117 1.953 -13.014 1.519 1.00 0.00 O ATOM 1757 CB TYR A 117 -0.841 -11.374 2.023 1.00 0.00 C ATOM 1758 CG TYR A 117 -1.566 -10.107 2.416 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.011 -8.842 2.264 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -2.868 -10.190 2.882 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -1.760 -7.703 2.508 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -3.627 -9.062 3.156 1.00 0.00 C ATOM 1763 CZ TYR A 117 -3.081 -7.795 2.951 1.00 0.00 C ATOM 1764 OH TYR A 117 -3.832 -6.649 3.189 1.00 0.00 O ATOM 0 H TYR A 117 1.403 -10.368 1.549 1.00 0.00 H new ATOM 0 HA TYR A 117 0.164 -11.754 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.567 -11.301 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.534 -12.210 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 117 0.018 -8.746 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.306 -11.165 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.316 -6.730 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.636 -9.164 3.526 1.00 0.00 H new ATOM 0 HH TYR A 117 -4.729 -6.903 3.491 1.00 0.00 H new ATOM 1774 N PRO A 118 0.509 -14.172 2.844 1.00 0.00 N ATOM 1775 CA PRO A 118 1.013 -15.488 2.455 1.00 0.00 C ATOM 1776 C PRO A 118 0.644 -15.688 0.966 1.00 0.00 C ATOM 1777 O PRO A 118 -0.270 -15.050 0.456 1.00 0.00 O ATOM 1778 CB PRO A 118 0.257 -16.468 3.373 1.00 0.00 C ATOM 1779 CG PRO A 118 -1.016 -15.713 3.760 1.00 0.00 C ATOM 1780 CD PRO A 118 -0.578 -14.251 3.827 1.00 0.00 C ATOM 0 HA PRO A 118 2.090 -15.623 2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.026 -17.400 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 118 0.848 -16.728 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.805 -15.859 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.407 -16.056 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.396 -13.575 3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.236 -13.980 4.826 1.00 0.00 H new ATOM 1788 N PRO A 119 1.397 -16.607 0.283 1.00 0.00 N ATOM 1789 CA PRO A 119 1.172 -16.919 -1.129 1.00 0.00 C ATOM 1790 C PRO A 119 -0.174 -17.659 -1.158 1.00 0.00 C ATOM 1791 O PRO A 119 -0.362 -18.678 -0.504 1.00 0.00 O ATOM 1792 CB PRO A 119 2.364 -17.803 -1.528 1.00 0.00 C ATOM 1793 CG PRO A 119 2.870 -18.398 -0.210 1.00 0.00 C ATOM 1794 CD PRO A 119 2.505 -17.370 0.863 1.00 0.00 C ATOM 0 HA PRO A 119 1.119 -16.074 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.061 -18.585 -2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.141 -17.220 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.401 -19.361 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.946 -18.568 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.208 -17.856 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.351 -16.724 1.097 1.00 0.00 H new ATOM 1802 N GLY A 120 -1.086 -17.057 -1.952 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.448 -17.558 -2.082 1.00 0.00 C ATOM 1804 C GLY A 120 -3.309 -16.666 -1.190 1.00 0.00 C ATOM 1805 O GLY A 120 -2.883 -16.288 -0.103 1.00 0.00 O ATOM 0 H GLY A 120 -0.892 -16.224 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.783 -17.514 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.512 -18.600 -1.770 1.00 0.00 H new ATOM 1809 N THR A 121 -4.528 -16.341 -1.684 1.00 0.00 N ATOM 1810 CA THR A 121 -5.371 -15.456 -0.892 1.00 0.00 C ATOM 1811 C THR A 121 -5.939 -16.253 0.261 1.00 0.00 C ATOM 1812 O THR A 121 -5.972 -17.476 0.331 1.00 0.00 O ATOM 1813 CB THR A 121 -6.499 -14.729 -1.695 1.00 0.00 C ATOM 1814 OG1 THR A 121 -7.205 -13.619 -1.039 1.00 0.00 O ATOM 1815 CG2 THR A 121 -7.409 -15.742 -2.452 1.00 0.00 C ATOM 0 H THR A 121 -4.919 -16.661 -2.570 1.00 0.00 H new ATOM 0 HA THR A 121 -4.741 -14.642 -0.534 1.00 0.00 H new ATOM 0 HB THR A 121 -5.955 -14.158 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 121 -8.122 -13.567 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.181 -15.200 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.806 -16.320 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.878 -16.416 -1.735 1.00 0.00 H new ATOM 1823 N SER A 122 -6.358 -15.361 1.156 1.00 0.00 N ATOM 1824 CA SER A 122 -6.957 -15.644 2.420 1.00 0.00 C ATOM 1825 C SER A 122 -7.485 -14.265 2.808 1.00 0.00 C ATOM 1826 O SER A 122 -6.709 -13.345 3.042 1.00 0.00 O ATOM 1827 CB SER A 122 -5.876 -16.142 3.413 1.00 0.00 C ATOM 1828 OG SER A 122 -4.637 -15.341 3.551 1.00 0.00 O ATOM 0 H SER A 122 -6.274 -14.359 0.987 1.00 0.00 H new ATOM 0 HA SER A 122 -7.723 -16.419 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.337 -16.217 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.590 -17.151 3.117 1.00 0.00 H new ATOM 0 HG SER A 122 -4.853 -14.469 3.943 1.00 0.00 H new ATOM 1834 N PRO A 123 -8.836 -14.134 2.863 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.457 -12.860 3.183 1.00 0.00 C ATOM 1836 C PRO A 123 -9.401 -12.633 4.704 1.00 0.00 C ATOM 1837 O PRO A 123 -9.846 -11.605 5.198 1.00 0.00 O ATOM 1838 CB PRO A 123 -10.889 -13.052 2.689 1.00 0.00 C ATOM 1839 CG PRO A 123 -11.164 -14.547 2.837 1.00 0.00 C ATOM 1840 CD PRO A 123 -9.805 -15.208 2.630 1.00 0.00 C ATOM 0 HA PRO A 123 -8.976 -11.992 2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.591 -12.462 3.278 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.995 -12.733 1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.573 -14.780 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -11.889 -14.892 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -9.656 -16.035 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.711 -15.616 1.624 1.00 0.00 H new ATOM 1848 N GLU A 124 -8.831 -13.640 5.406 1.00 0.00 N ATOM 1849 CA GLU A 124 -8.654 -13.647 6.841 1.00 0.00 C ATOM 1850 C GLU A 124 -7.577 -12.608 7.174 1.00 0.00 C ATOM 1851 O GLU A 124 -7.590 -12.000 8.238 1.00 0.00 O ATOM 1852 CB GLU A 124 -8.196 -15.059 7.247 1.00 0.00 C ATOM 1853 CG GLU A 124 -7.865 -15.193 8.742 1.00 0.00 C ATOM 1854 CD GLU A 124 -7.524 -16.651 9.095 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -6.365 -17.038 8.948 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -8.421 -17.383 9.514 1.00 0.00 O ATOM 0 H GLU A 124 -8.478 -14.486 4.958 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.572 -13.401 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.979 -15.773 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -7.316 -15.328 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.024 -14.547 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.713 -14.858 9.339 1.00 0.00 H new ATOM 1863 N THR A 125 -6.653 -12.440 6.202 1.00 0.00 N ATOM 1864 CA THR A 125 -5.559 -11.519 6.380 1.00 0.00 C ATOM 1865 C THR A 125 -6.067 -10.095 6.095 1.00 0.00 C ATOM 1866 O THR A 125 -5.384 -9.152 6.470 1.00 0.00 O ATOM 1867 CB THR A 125 -4.393 -11.897 5.421 1.00 0.00 C ATOM 1868 OG1 THR A 125 -4.287 -13.275 4.951 1.00 0.00 O ATOM 1869 CG2 THR A 125 -3.047 -11.284 5.901 1.00 0.00 C ATOM 0 H THR A 125 -6.660 -12.931 5.308 1.00 0.00 H new ATOM 0 HA THR A 125 -5.183 -11.567 7.402 1.00 0.00 H new ATOM 0 HB THR A 125 -4.686 -11.421 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.502 -13.363 4.371 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.252 -11.566 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 125 -3.132 -10.198 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.812 -11.658 6.897 1.00 0.00 H new ATOM 1877 N THR A 126 -7.245 -9.934 5.422 1.00 0.00 N ATOM 1878 CA THR A 126 -7.676 -8.566 5.178 1.00 0.00 C ATOM 1879 C THR A 126 -8.304 -7.999 6.448 1.00 0.00 C ATOM 1880 O THR A 126 -8.335 -6.788 6.655 1.00 0.00 O ATOM 1881 CB THR A 126 -8.677 -8.269 4.058 1.00 0.00 C ATOM 1882 OG1 THR A 126 -10.073 -8.670 4.243 1.00 0.00 O ATOM 1883 CG2 THR A 126 -8.085 -8.539 2.655 1.00 0.00 C ATOM 0 H THR A 126 -7.852 -10.676 5.074 1.00 0.00 H new ATOM 0 HA THR A 126 -6.741 -8.110 4.852 1.00 0.00 H new ATOM 0 HB THR A 126 -8.816 -7.191 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.109 -9.605 4.533 1.00 0.00 H new ATOM 0 HG21 THR A 126 -8.833 -8.314 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.210 -7.907 2.502 1.00 0.00 H new ATOM 0 HG23 THR A 126 -7.794 -9.587 2.578 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.816 -8.926 7.280 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.379 -8.516 8.554 1.00 0.00 C ATOM 1893 C ILE A 127 -8.167 -7.988 9.355 1.00 0.00 C ATOM 1894 O ILE A 127 -8.290 -7.127 10.217 1.00 0.00 O ATOM 1895 CB ILE A 127 -10.079 -9.725 9.247 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.695 -10.787 8.311 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.509 -9.318 10.693 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -11.424 -11.955 9.003 1.00 0.00 C ATOM 0 H ILE A 127 -8.846 -9.928 7.091 1.00 0.00 H new ATOM 0 HA ILE A 127 -10.151 -7.752 8.463 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.512 -10.601 9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.399 -10.290 7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -9.901 -11.198 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -10.998 -10.162 11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.628 -9.030 11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.201 -8.477 10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -11.815 -12.638 8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.726 -12.489 9.648 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -12.247 -11.566 9.602 1.00 0.00 H new ATOM 1910 N ALA A 128 -6.991 -8.552 8.965 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.727 -8.199 9.547 1.00 0.00 C ATOM 1912 C ALA A 128 -5.096 -7.068 8.725 1.00 0.00 C ATOM 1913 O ALA A 128 -4.048 -6.584 9.120 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.806 -9.425 9.659 1.00 0.00 C ATOM 0 H ALA A 128 -6.925 -9.262 8.235 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.879 -7.840 10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.856 -9.127 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.280 -10.180 10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.628 -9.839 8.666 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.731 -6.631 7.603 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.148 -5.559 6.800 1.00 0.00 C ATOM 1922 C ASP A 129 -5.071 -4.300 7.677 1.00 0.00 C ATOM 1923 O ASP A 129 -4.030 -3.676 7.827 1.00 0.00 O ATOM 1924 CB ASP A 129 -5.974 -5.258 5.531 1.00 0.00 C ATOM 1925 CG ASP A 129 -5.234 -4.389 4.480 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -4.311 -3.656 4.832 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -5.589 -4.461 3.305 1.00 0.00 O ATOM 0 H ASP A 129 -6.616 -7.000 7.256 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.159 -5.873 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.263 -6.201 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.894 -4.751 5.822 1.00 0.00 H new ATOM 1932 N MET A 130 -6.254 -3.996 8.241 1.00 0.00 N ATOM 1933 CA MET A 130 -6.399 -2.808 9.065 1.00 0.00 C ATOM 1934 C MET A 130 -6.042 -3.113 10.524 1.00 0.00 C ATOM 1935 O MET A 130 -5.710 -2.198 11.265 1.00 0.00 O ATOM 1936 CB MET A 130 -7.850 -2.295 9.062 1.00 0.00 C ATOM 1937 CG MET A 130 -8.424 -1.972 7.687 1.00 0.00 C ATOM 1938 SD MET A 130 -7.534 -0.639 6.867 1.00 0.00 S ATOM 1939 CE MET A 130 -6.478 -1.608 5.779 1.00 0.00 C ATOM 0 H MET A 130 -7.103 -4.552 8.137 1.00 0.00 H new ATOM 0 HA MET A 130 -5.729 -2.058 8.645 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.484 -3.045 9.535 1.00 0.00 H new ATOM 0 HB3 MET A 130 -7.902 -1.398 9.679 1.00 0.00 H new ATOM 0 HG2 MET A 130 -8.390 -2.865 7.063 1.00 0.00 H new ATOM 0 HG3 MET A 130 -9.473 -1.695 7.790 1.00 0.00 H new ATOM 0 HE1 MET A 130 -5.460 -1.612 6.169 1.00 0.00 H new ATOM 0 HE2 MET A 130 -6.851 -2.631 5.727 1.00 0.00 H new ATOM 0 HE3 MET A 130 -6.483 -1.169 4.781 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.127 -4.400 10.924 1.00 0.00 N ATOM 1950 CA LYS A 131 -5.879 -4.713 12.327 1.00 0.00 C ATOM 1951 C LYS A 131 -4.378 -4.933 12.561 1.00 0.00 C ATOM 1952 O LYS A 131 -3.948 -4.967 13.705 1.00 0.00 O ATOM 1953 CB LYS A 131 -6.750 -5.914 12.731 1.00 0.00 C ATOM 1954 CG LYS A 131 -6.741 -6.246 14.229 1.00 0.00 C ATOM 1955 CD LYS A 131 -7.791 -7.306 14.595 1.00 0.00 C ATOM 1956 CE LYS A 131 -7.564 -8.654 13.898 1.00 0.00 C ATOM 1957 NZ LYS A 131 -8.544 -9.655 14.299 1.00 0.00 N ATOM 0 H LYS A 131 -6.354 -5.193 10.324 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.163 -3.879 12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.777 -5.718 12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -6.413 -6.791 12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.752 -6.604 14.514 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -6.929 -5.338 14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.783 -7.457 15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.781 -6.932 14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.611 -8.515 12.818 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -6.562 -9.016 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -8.351 -10.548 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.483 -9.809 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.499 -9.323 14.055 1.00 0.00 H new ATOM 1970 N GLU A 132 -3.588 -5.079 11.475 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.158 -5.292 11.670 1.00 0.00 C ATOM 1972 C GLU A 132 -1.491 -3.919 11.694 1.00 0.00 C ATOM 1973 O GLU A 132 -0.756 -3.556 12.603 1.00 0.00 O ATOM 1974 CB GLU A 132 -1.561 -6.223 10.601 1.00 0.00 C ATOM 1975 CG GLU A 132 -0.082 -6.554 10.869 1.00 0.00 C ATOM 1976 CD GLU A 132 0.405 -7.702 9.966 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.075 -8.824 10.130 1.00 0.00 O ATOM 1978 OE2 GLU A 132 1.258 -7.470 9.112 1.00 0.00 O ATOM 0 H GLU A 132 -3.905 -5.054 10.506 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.978 -5.804 12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.137 -7.148 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.653 -5.753 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.529 -5.668 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.047 -6.831 11.915 1.00 0.00 H new ATOM 1985 N VAL A 133 -1.817 -3.195 10.617 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.276 -1.865 10.378 1.00 0.00 C ATOM 1987 C VAL A 133 -1.808 -0.804 11.359 1.00 0.00 C ATOM 1988 O VAL A 133 -1.035 -0.171 12.069 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.483 -1.509 8.861 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.321 0.026 8.618 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.233 -2.533 7.725 1.00 0.00 C ATOM 0 H VAL A 133 -2.460 -3.518 9.894 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.206 -1.867 10.585 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.525 -1.759 8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.469 0.245 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.061 0.568 9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.320 0.338 8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.440 -2.066 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.194 -2.861 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -1.889 -3.393 7.860 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.148 -0.645 11.359 1.00 0.00 N ATOM 2002 CA LEU A 134 -3.755 0.371 12.207 1.00 0.00 C ATOM 2003 C LEU A 134 -4.088 -0.228 13.583 1.00 0.00 C ATOM 2004 O LEU A 134 -4.353 0.527 14.510 1.00 0.00 O ATOM 2005 CB LEU A 134 -4.989 0.992 11.524 1.00 0.00 C ATOM 2006 CG LEU A 134 -4.667 1.625 10.129 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -5.018 0.613 8.996 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -4.545 3.157 9.903 1.00 0.00 C ATOM 0 H LEU A 134 -3.801 -1.192 10.798 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.043 1.182 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.753 0.224 11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.410 1.758 12.175 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.598 1.829 10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.792 1.059 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -4.429 -0.295 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.079 0.367 9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.317 3.353 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.486 3.640 10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -3.746 3.555 10.529 1.00 0.00 H new ATOM 2020 N GLY A 135 -4.070 -1.579 13.709 1.00 0.00 N ATOM 2021 CA GLY A 135 -4.383 -2.162 15.009 1.00 0.00 C ATOM 2022 C GLY A 135 -3.128 -2.305 15.876 1.00 0.00 C ATOM 2023 O GLY A 135 -2.935 -1.579 16.844 1.00 0.00 O ATOM 0 H GLY A 135 -3.853 -2.241 12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.113 -1.537 15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.844 -3.140 14.869 1.00 0.00 H new ATOM 2027 N VAL A 136 -2.298 -3.291 15.469 1.00 0.00 N ATOM 2028 CA VAL A 136 -1.065 -3.580 16.185 1.00 0.00 C ATOM 2029 C VAL A 136 -0.294 -4.640 15.387 1.00 0.00 C ATOM 2030 O VAL A 136 -0.866 -5.459 14.680 1.00 0.00 O ATOM 2031 CB VAL A 136 -1.380 -4.101 17.628 1.00 0.00 C ATOM 2032 CG1 VAL A 136 -0.215 -3.753 18.599 1.00 0.00 C ATOM 2033 CG2 VAL A 136 -2.750 -4.663 18.116 1.00 0.00 C ATOM 0 H VAL A 136 -2.468 -3.885 14.658 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.466 -2.675 16.285 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.751 -5.123 17.546 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.451 -4.122 19.597 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.704 -4.221 18.247 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.082 -2.672 18.634 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.673 -4.948 19.165 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.518 -3.898 18.003 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.018 -5.536 17.521 1.00 0.00 H new ATOM 2043 N GLU A 137 1.037 -4.565 15.568 1.00 0.00 N ATOM 2044 CA GLU A 137 1.949 -5.476 14.896 1.00 0.00 C ATOM 2045 C GLU A 137 3.149 -5.609 15.846 1.00 0.00 C ATOM 2046 O GLU A 137 3.838 -4.615 16.078 1.00 0.00 O ATOM 2047 CB GLU A 137 2.339 -4.922 13.510 1.00 0.00 C ATOM 2048 CG GLU A 137 3.295 -5.845 12.739 1.00 0.00 C ATOM 2049 CD GLU A 137 3.711 -5.220 11.395 1.00 0.00 C ATOM 2050 OE1 GLU A 137 4.488 -4.265 11.407 1.00 0.00 O ATOM 2051 OE2 GLU A 137 3.260 -5.694 10.354 1.00 0.00 O ATOM 2052 OXT GLU A 137 3.385 -6.708 16.346 1.00 0.00 O ATOM 0 H GLU A 137 1.492 -3.882 16.174 1.00 0.00 H new ATOM 0 HA GLU A 137 1.507 -6.453 14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 137 1.436 -4.769 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 137 2.808 -3.946 13.634 1.00 0.00 H new ATOM 0 HG2 GLU A 137 4.182 -6.040 13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 137 2.813 -6.806 12.562 1.00 0.00 H new TER 2059 GLU A 137 HETATM 2060 N4 FOP A 138 1.449 -10.848 -10.611 1.00 0.00 N HETATM 2061 C5 FOP A 138 0.826 -11.902 -9.810 1.00 0.00 C HETATM 2062 C6 FOP A 138 -0.524 -12.398 -10.347 1.00 0.00 C HETATM 2063 C7 FOP A 138 -0.397 -13.560 -11.338 1.00 0.00 C HETATM 2064 O7 FOP A 138 -1.453 -12.667 -9.316 1.00 0.00 O HETATM 0 H73 FOP A 138 0.199 -13.244 -12.194 1.00 0.00 H new HETATM 0 H72 FOP A 138 0.090 -14.404 -10.849 1.00 0.00 H new HETATM 0 H71 FOP A 138 -1.389 -13.860 -11.677 1.00 0.00 H new HETATM 0 H6 FOP A 138 -0.930 -11.566 -10.922 1.00 0.00 H new HETATM 0 H52 FOP A 138 1.511 -12.748 -9.750 1.00 0.00 H new HETATM 0 H51 FOP A 138 0.685 -11.533 -8.794 1.00 0.00 H new HETATM 0 H43 FOP A 138 2.312 -10.543 -10.160 1.00 0.00 H new HETATM 0 H42 FOP A 138 1.661 -11.208 -11.542 1.00 0.00 H new HETATM 0 H41 FOP A 138 0.809 -10.057 -10.690 1.00 0.00 H new HETATM 2074 P DBI A 139 -1.232 -13.998 -8.485 1.00 0.00 P HETATM 2075 O1P DBI A 139 -2.067 -15.154 -9.164 1.00 0.00 O HETATM 2076 O2P DBI A 139 0.289 -14.422 -8.451 1.00 0.00 O HETATM 2077 O3' DBI A 139 -1.712 -13.737 -6.997 1.00 0.00 O HETATM 2078 O5' DBI A 139 -3.841 -17.303 -6.388 1.00 0.00 O HETATM 2079 C5' DBI A 139 -4.290 -16.290 -7.251 1.00 0.00 C HETATM 2080 C4' DBI A 139 -3.820 -14.906 -6.785 1.00 0.00 C HETATM 2081 O4' DBI A 139 -4.599 -14.556 -5.656 1.00 0.00 O HETATM 2082 C1' DBI A 139 -3.755 -14.113 -4.612 1.00 0.00 C HETATM 2083 N1 DBI A 139 -3.780 -12.660 -4.506 1.00 0.00 N HETATM 2084 C8 DBI A 139 -3.843 -11.915 -3.340 1.00 0.00 C HETATM 2085 C7 DBI A 139 -3.891 -12.268 -2.028 1.00 0.00 C HETATM 2086 C6 DBI A 139 -3.958 -11.312 -1.018 1.00 0.00 C HETATM 2087 C11 DBI A 139 -4.052 -11.797 0.397 1.00 0.00 C HETATM 2088 C10 DBI A 139 -3.904 -8.872 -0.289 1.00 0.00 C HETATM 2089 C5 DBI A 139 -3.920 -9.949 -1.351 1.00 0.00 C HETATM 2090 C4 DBI A 139 -3.886 -9.590 -2.703 1.00 0.00 C HETATM 2091 C9 DBI A 139 -3.858 -10.544 -3.691 1.00 0.00 C HETATM 2092 N3 DBI A 139 -3.829 -10.495 -5.076 1.00 0.00 N HETATM 2093 C2 DBI A 139 -3.768 -11.770 -5.509 1.00 0.00 C HETATM 2094 C2' DBI A 139 -2.376 -14.694 -4.889 1.00 0.00 C HETATM 2095 O2' DBI A 139 -1.324 -13.935 -4.340 1.00 0.00 O HETATM 2096 C3' DBI A 139 -2.339 -14.846 -6.393 1.00 0.00 C HETATM 0 HO21 DBI A 139 -0.878 -13.431 -5.052 1.00 0.00 H new HETATM 0 H5'2 DBI A 139 -3.922 -16.480 -8.259 1.00 0.00 H new HETATM 0 H5'1 DBI A 139 -5.379 -16.308 -7.300 1.00 0.00 H new HETATM 0 H113 DBI A 139 -4.952 -12.401 0.516 1.00 0.00 H new HETATM 0 H112 DBI A 139 -3.176 -12.401 0.634 1.00 0.00 H new HETATM 0 H111 DBI A 139 -4.097 -10.943 1.072 1.00 0.00 H new HETATM 0 H103 DBI A 139 -4.803 -8.951 0.323 1.00 0.00 H new HETATM 0 H102 DBI A 139 -3.024 -8.996 0.342 1.00 0.00 H new HETATM 0 H101 DBI A 139 -3.874 -7.892 -0.765 1.00 0.00 H new HETATM 0 HO5 DBI A 139 -4.158 -18.172 -6.711 1.00 0.00 H new HETATM 0 H7 DBI A 139 -3.877 -13.325 -1.760 1.00 0.00 H new HETATM 0 H4' DBI A 139 -3.942 -14.218 -7.622 1.00 0.00 H new HETATM 0 H4 DBI A 139 -3.882 -8.535 -2.977 1.00 0.00 H new HETATM 0 H3' DBI A 139 -1.775 -15.722 -6.714 1.00 0.00 H new HETATM 0 H2' DBI A 139 -2.218 -15.653 -4.395 1.00 0.00 H new HETATM 0 H2 DBI A 139 -3.715 -12.048 -6.562 1.00 0.00 H new HETATM 0 H1' DBI A 139 -4.091 -14.461 -3.635 1.00 0.00 H new