USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 43:sc= 0.988 USER MOD Set 1.2: A 33 THR OG1 : rot -80:sc= 0.758 USER MOD Set 2.1: A 8 ASN : amide:sc= -2.01! C(o=-2.4!,f=-15!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -128:sc= -0.374 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0938 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -136:sc= -0.271 (180deg=-2.75!) USER MOD Single : A 4 THR OG1 : rot 27:sc= 0.654 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -2:sc= 0.821 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.44 K(o=-1.4,f=-7.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -34:sc= -3.33! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 24:sc= 1.01 USER MOD Single : A 32 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 44:sc= 0.0446 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -26:sc= 0.279 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 TYR OH : rot 150:sc= -0.353 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.0058) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 73 HIS : no HD1:sc= 0.0922 K(o=0.092,f=-1) USER MOD Single : A 74 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.3) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -2.16! K(o=-2.2!,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.129 8.084 11.551 1.00 0.00 N ATOM 2 CA ALA A 1 9.648 7.953 11.475 1.00 0.00 C ATOM 3 C ALA A 1 9.213 7.764 10.020 1.00 0.00 C ATOM 4 O ALA A 1 9.972 7.982 9.096 1.00 0.00 O ATOM 5 CB ALA A 1 8.994 9.212 12.051 1.00 0.00 C ATOM 0 H1 ALA A 1 11.524 7.266 12.058 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.524 8.119 10.590 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.375 8.958 12.059 1.00 0.00 H new ATOM 0 HA ALA A 1 9.335 7.084 12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.910 9.117 11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.295 9.335 13.091 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.311 10.082 11.477 1.00 0.00 H new ATOM 13 N GLU A 2 7.991 7.348 9.832 1.00 0.00 N ATOM 14 CA GLU A 2 7.444 7.115 8.464 1.00 0.00 C ATOM 15 C GLU A 2 8.288 6.081 7.731 1.00 0.00 C ATOM 16 O GLU A 2 9.482 5.983 7.924 1.00 0.00 O ATOM 17 CB GLU A 2 7.425 8.421 7.670 1.00 0.00 C ATOM 18 CG GLU A 2 6.748 8.182 6.315 1.00 0.00 C ATOM 19 CD GLU A 2 6.711 9.489 5.521 1.00 0.00 C ATOM 20 OE1 GLU A 2 7.736 10.147 5.455 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.660 9.809 4.993 1.00 0.00 O ATOM 0 H GLU A 2 7.333 7.155 10.587 1.00 0.00 H new ATOM 0 HA GLU A 2 6.424 6.743 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.889 9.190 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.442 8.785 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.291 7.420 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.736 7.807 6.464 1.00 0.00 H new ATOM 28 N LYS A 3 7.662 5.306 6.885 1.00 0.00 N ATOM 29 CA LYS A 3 8.404 4.261 6.116 1.00 0.00 C ATOM 30 C LYS A 3 7.925 4.248 4.668 1.00 0.00 C ATOM 31 O LYS A 3 6.798 4.593 4.373 1.00 0.00 O ATOM 32 CB LYS A 3 8.165 2.890 6.750 1.00 0.00 C ATOM 33 CG LYS A 3 8.835 2.847 8.126 1.00 0.00 C ATOM 34 CD LYS A 3 8.607 1.478 8.771 1.00 0.00 C ATOM 35 CE LYS A 3 9.200 1.474 10.182 1.00 0.00 C ATOM 36 NZ LYS A 3 10.663 1.746 10.108 1.00 0.00 N ATOM 0 H LYS A 3 6.662 5.352 6.692 1.00 0.00 H new ATOM 0 HA LYS A 3 9.470 4.488 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.096 2.703 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.569 2.105 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.903 3.039 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.428 3.632 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.541 1.257 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.071 0.698 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.710 2.229 10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.022 0.511 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.170 1.094 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.993 1.608 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.849 2.726 10.401 1.00 0.00 H new ATOM 50 N THR A 4 8.788 3.855 3.764 1.00 0.00 N ATOM 51 CA THR A 4 8.420 3.814 2.312 1.00 0.00 C ATOM 52 C THR A 4 8.484 2.380 1.797 1.00 0.00 C ATOM 53 O THR A 4 9.535 1.770 1.721 1.00 0.00 O ATOM 54 CB THR A 4 9.385 4.690 1.508 1.00 0.00 C ATOM 55 OG1 THR A 4 10.716 4.221 1.681 1.00 0.00 O ATOM 56 CG2 THR A 4 9.285 6.140 1.985 1.00 0.00 C ATOM 0 H THR A 4 9.742 3.558 3.971 1.00 0.00 H new ATOM 0 HA THR A 4 7.404 4.191 2.194 1.00 0.00 H new ATOM 0 HB THR A 4 9.120 4.639 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.701 3.264 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.973 6.760 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.266 6.500 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.544 6.194 3.042 1.00 0.00 H new ATOM 64 N GLY A 5 7.344 1.852 1.436 1.00 0.00 N ATOM 65 CA GLY A 5 7.260 0.458 0.905 1.00 0.00 C ATOM 66 C GLY A 5 7.097 0.496 -0.615 1.00 0.00 C ATOM 67 O GLY A 5 6.264 1.206 -1.149 1.00 0.00 O ATOM 0 H GLY A 5 6.449 2.338 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.159 -0.098 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.417 -0.064 1.358 1.00 0.00 H new ATOM 71 N ILE A 6 7.898 -0.268 -1.307 1.00 0.00 N ATOM 72 CA ILE A 6 7.824 -0.305 -2.798 1.00 0.00 C ATOM 73 C ILE A 6 6.796 -1.346 -3.244 1.00 0.00 C ATOM 74 O ILE A 6 6.833 -2.492 -2.839 1.00 0.00 O ATOM 75 CB ILE A 6 9.205 -0.657 -3.364 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.270 0.248 -2.721 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.202 -0.448 -4.880 1.00 0.00 C ATOM 78 CD1 ILE A 6 9.857 1.720 -2.842 1.00 0.00 C ATOM 0 H ILE A 6 8.609 -0.875 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 6 7.517 0.672 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 6 9.435 -1.699 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.397 -0.017 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.233 0.092 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.183 -0.698 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.448 -1.091 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.972 0.594 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.619 2.350 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.753 1.984 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.905 1.874 -2.334 1.00 0.00 H new ATOM 90 N VAL A 7 5.876 -0.940 -4.082 1.00 0.00 N ATOM 91 CA VAL A 7 4.824 -1.876 -4.578 1.00 0.00 C ATOM 92 C VAL A 7 5.440 -2.872 -5.553 1.00 0.00 C ATOM 93 O VAL A 7 6.141 -2.506 -6.475 1.00 0.00 O ATOM 94 CB VAL A 7 3.720 -1.080 -5.288 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.705 -2.048 -5.902 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.008 -0.177 -4.277 1.00 0.00 C ATOM 0 H VAL A 7 5.809 0.010 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 7 4.396 -2.416 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 7 4.165 -0.469 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.921 -1.482 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.207 -2.693 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.263 -2.659 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.224 0.388 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.565 -0.789 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.727 0.514 -3.837 1.00 0.00 H new ATOM 106 N ASN A 8 5.171 -4.136 -5.348 1.00 0.00 N ATOM 107 CA ASN A 8 5.722 -5.201 -6.244 1.00 0.00 C ATOM 108 C ASN A 8 4.574 -6.029 -6.825 1.00 0.00 C ATOM 109 O ASN A 8 4.026 -6.893 -6.172 1.00 0.00 O ATOM 110 CB ASN A 8 6.657 -6.107 -5.429 1.00 0.00 C ATOM 111 CG ASN A 8 7.602 -6.858 -6.372 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.005 -6.334 -7.393 1.00 0.00 O ATOM 113 ND2 ASN A 8 7.977 -8.072 -6.074 1.00 0.00 N ATOM 0 H ASN A 8 4.585 -4.481 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 8 6.278 -4.743 -7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.233 -5.509 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.072 -6.817 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.606 -8.579 -6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.641 -8.514 -5.218 1.00 0.00 H new ATOM 120 N VAL A 9 4.222 -5.772 -8.060 1.00 0.00 N ATOM 121 CA VAL A 9 3.125 -6.547 -8.717 1.00 0.00 C ATOM 122 C VAL A 9 3.394 -6.672 -10.218 1.00 0.00 C ATOM 123 O VAL A 9 4.127 -5.898 -10.800 1.00 0.00 O ATOM 124 CB VAL A 9 1.778 -5.859 -8.489 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.434 -5.899 -6.998 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.844 -4.403 -8.960 1.00 0.00 C ATOM 0 H VAL A 9 4.650 -5.054 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 9 3.093 -7.543 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 9 1.009 -6.381 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.474 -5.409 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.374 -6.936 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.208 -5.381 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.880 -3.923 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.615 -3.874 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.084 -4.375 -10.023 1.00 0.00 H new ATOM 136 N SER A 10 2.797 -7.655 -10.838 1.00 0.00 N ATOM 137 CA SER A 10 2.991 -7.876 -12.302 1.00 0.00 C ATOM 138 C SER A 10 1.970 -7.057 -13.094 1.00 0.00 C ATOM 139 O SER A 10 2.124 -6.848 -14.280 1.00 0.00 O ATOM 140 CB SER A 10 2.800 -9.361 -12.617 1.00 0.00 C ATOM 141 OG SER A 10 3.880 -10.101 -12.063 1.00 0.00 O ATOM 0 H SER A 10 2.174 -8.324 -10.386 1.00 0.00 H new ATOM 0 HA SER A 10 3.997 -7.563 -12.582 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.854 -9.713 -12.206 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.755 -9.513 -13.695 1.00 0.00 H new ATOM 0 HG SER A 10 3.760 -11.053 -12.261 1.00 0.00 H new ATOM 147 N SER A 11 0.927 -6.598 -12.450 1.00 0.00 N ATOM 148 CA SER A 11 -0.105 -5.793 -13.171 1.00 0.00 C ATOM 149 C SER A 11 -0.851 -4.885 -12.191 1.00 0.00 C ATOM 150 O SER A 11 -1.892 -5.230 -11.666 1.00 0.00 O ATOM 151 CB SER A 11 -1.099 -6.727 -13.855 1.00 0.00 C ATOM 152 OG SER A 11 -0.435 -7.426 -14.899 1.00 0.00 O ATOM 0 H SER A 11 0.746 -6.746 -11.457 1.00 0.00 H new ATOM 0 HA SER A 11 0.392 -5.175 -13.919 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.511 -7.432 -13.133 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.936 -6.156 -14.257 1.00 0.00 H new ATOM 0 HG SER A 11 0.495 -7.121 -14.957 1.00 0.00 H new ATOM 158 N SER A 12 -0.319 -3.714 -11.972 1.00 0.00 N ATOM 159 CA SER A 12 -0.955 -2.723 -11.057 1.00 0.00 C ATOM 160 C SER A 12 -1.379 -3.383 -9.744 1.00 0.00 C ATOM 161 O SER A 12 -1.186 -4.562 -9.531 1.00 0.00 O ATOM 162 CB SER A 12 -2.176 -2.103 -11.750 1.00 0.00 C ATOM 163 OG SER A 12 -1.901 -1.954 -13.140 1.00 0.00 O ATOM 0 H SER A 12 0.551 -3.395 -12.399 1.00 0.00 H new ATOM 0 HA SER A 12 -0.228 -1.945 -10.825 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.051 -2.737 -11.606 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.407 -1.134 -11.307 1.00 0.00 H new ATOM 0 HG SER A 12 -2.679 -1.560 -13.587 1.00 0.00 H new ATOM 169 N LEU A 13 -1.951 -2.609 -8.859 1.00 0.00 N ATOM 170 CA LEU A 13 -2.400 -3.152 -7.546 1.00 0.00 C ATOM 171 C LEU A 13 -3.685 -2.456 -7.110 1.00 0.00 C ATOM 172 O LEU A 13 -3.783 -1.245 -7.100 1.00 0.00 O ATOM 173 CB LEU A 13 -1.306 -2.930 -6.493 1.00 0.00 C ATOM 174 CG LEU A 13 -1.818 -3.367 -5.111 1.00 0.00 C ATOM 175 CD1 LEU A 13 -2.306 -4.824 -5.171 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.687 -3.248 -4.087 1.00 0.00 C ATOM 0 H LEU A 13 -2.127 -1.613 -8.993 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.590 -4.221 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.414 -3.498 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.019 -1.879 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.647 -2.724 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.667 -5.127 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.115 -4.907 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.482 -5.472 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.050 -3.558 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.143 -3.888 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.348 -2.213 -4.038 1.00 0.00 H new ATOM 188 N ASN A 14 -4.663 -3.230 -6.731 1.00 0.00 N ATOM 189 CA ASN A 14 -5.961 -2.658 -6.278 1.00 0.00 C ATOM 190 C ASN A 14 -5.873 -2.261 -4.807 1.00 0.00 C ATOM 191 O ASN A 14 -5.411 -3.011 -3.969 1.00 0.00 O ATOM 192 CB ASN A 14 -7.068 -3.697 -6.473 1.00 0.00 C ATOM 193 CG ASN A 14 -6.812 -4.915 -5.584 1.00 0.00 C ATOM 194 OD1 ASN A 14 -5.711 -5.121 -5.110 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.794 -5.739 -5.335 1.00 0.00 N ATOM 0 H ASN A 14 -4.617 -4.249 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.189 -1.770 -6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.036 -3.258 -6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.110 -4.003 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.638 -6.555 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.718 -5.567 -5.732 1.00 0.00 H new ATOM 202 N VAL A 15 -6.320 -1.074 -4.501 1.00 0.00 N ATOM 203 CA VAL A 15 -6.276 -0.578 -3.099 1.00 0.00 C ATOM 204 C VAL A 15 -7.455 -1.140 -2.318 1.00 0.00 C ATOM 205 O VAL A 15 -8.587 -1.104 -2.757 1.00 0.00 O ATOM 206 CB VAL A 15 -6.332 0.953 -3.093 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.411 1.457 -1.652 1.00 0.00 C ATOM 208 CG2 VAL A 15 -5.066 1.506 -3.753 1.00 0.00 C ATOM 0 H VAL A 15 -6.719 -0.419 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.348 -0.905 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.212 1.287 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.451 2.546 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.308 1.060 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.531 1.125 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.101 2.595 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.190 1.170 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.005 1.147 -4.780 1.00 0.00 H new ATOM 218 N ARG A 16 -7.180 -1.661 -1.153 1.00 0.00 N ATOM 219 CA ARG A 16 -8.255 -2.247 -0.299 1.00 0.00 C ATOM 220 C ARG A 16 -8.549 -1.320 0.873 1.00 0.00 C ATOM 221 O ARG A 16 -7.659 -0.814 1.527 1.00 0.00 O ATOM 222 CB ARG A 16 -7.797 -3.609 0.233 1.00 0.00 C ATOM 223 CG ARG A 16 -7.762 -4.626 -0.914 1.00 0.00 C ATOM 224 CD ARG A 16 -7.383 -6.009 -0.372 1.00 0.00 C ATOM 225 NE ARG A 16 -5.973 -5.993 0.115 1.00 0.00 N ATOM 226 CZ ARG A 16 -4.975 -6.177 -0.716 1.00 0.00 C ATOM 227 NH1 ARG A 16 -5.191 -6.364 -1.992 1.00 0.00 N ATOM 228 NH2 ARG A 16 -3.753 -6.170 -0.260 1.00 0.00 N ATOM 0 H ARG A 16 -6.244 -1.706 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.159 -2.370 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.809 -3.521 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.475 -3.951 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.736 -4.671 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.041 -4.311 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.055 -6.288 0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.499 -6.760 -1.153 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.783 -5.837 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.145 -6.368 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.405 -6.506 -2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.581 -6.022 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.970 -6.312 -0.898 1.00 0.00 H new ATOM 242 N GLU A 17 -9.808 -1.108 1.140 1.00 0.00 N ATOM 243 CA GLU A 17 -10.218 -0.225 2.269 1.00 0.00 C ATOM 244 C GLU A 17 -10.586 -1.097 3.466 1.00 0.00 C ATOM 245 O GLU A 17 -11.743 -1.307 3.771 1.00 0.00 O ATOM 246 CB GLU A 17 -11.421 0.625 1.837 1.00 0.00 C ATOM 247 CG GLU A 17 -11.797 1.590 2.966 1.00 0.00 C ATOM 248 CD GLU A 17 -12.966 2.480 2.529 1.00 0.00 C ATOM 249 OE1 GLU A 17 -13.262 2.502 1.345 1.00 0.00 O ATOM 250 OE2 GLU A 17 -13.546 3.124 3.388 1.00 0.00 O ATOM 0 H GLU A 17 -10.582 -1.516 0.616 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.400 0.440 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.179 1.183 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.267 -0.019 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.071 1.028 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.938 2.207 3.229 1.00 0.00 H new ATOM 257 N GLY A 18 -9.590 -1.598 4.147 1.00 0.00 N ATOM 258 CA GLY A 18 -9.832 -2.455 5.345 1.00 0.00 C ATOM 259 C GLY A 18 -8.718 -3.494 5.482 1.00 0.00 C ATOM 260 O GLY A 18 -7.890 -3.661 4.606 1.00 0.00 O ATOM 0 H GLY A 18 -8.607 -1.448 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.875 -1.836 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.797 -2.954 5.256 1.00 0.00 H new ATOM 264 N ALA A 19 -8.700 -4.192 6.585 1.00 0.00 N ATOM 265 CA ALA A 19 -7.654 -5.228 6.819 1.00 0.00 C ATOM 266 C ALA A 19 -8.135 -6.566 6.252 1.00 0.00 C ATOM 267 O ALA A 19 -7.483 -7.583 6.396 1.00 0.00 O ATOM 268 CB ALA A 19 -7.403 -5.355 8.326 1.00 0.00 C ATOM 0 H ALA A 19 -9.374 -4.087 7.343 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.726 -4.943 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.639 -6.111 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.065 -4.397 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.327 -5.647 8.825 1.00 0.00 H new ATOM 274 N SER A 20 -9.269 -6.565 5.602 1.00 0.00 N ATOM 275 CA SER A 20 -9.814 -7.824 5.009 1.00 0.00 C ATOM 276 C SER A 20 -9.027 -8.192 3.752 1.00 0.00 C ATOM 277 O SER A 20 -8.421 -7.355 3.111 1.00 0.00 O ATOM 278 CB SER A 20 -11.290 -7.625 4.653 1.00 0.00 C ATOM 279 OG SER A 20 -12.068 -7.686 5.840 1.00 0.00 O ATOM 0 H SER A 20 -9.847 -5.738 5.455 1.00 0.00 H new ATOM 0 HA SER A 20 -9.721 -8.631 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.431 -6.663 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.614 -8.393 3.951 1.00 0.00 H new ATOM 0 HG SER A 20 -13.014 -7.557 5.618 1.00 0.00 H new ATOM 285 N THR A 21 -9.039 -9.449 3.408 1.00 0.00 N ATOM 286 CA THR A 21 -8.303 -9.926 2.204 1.00 0.00 C ATOM 287 C THR A 21 -8.950 -9.346 0.949 1.00 0.00 C ATOM 288 O THR A 21 -8.296 -9.127 -0.051 1.00 0.00 O ATOM 289 CB THR A 21 -8.362 -11.458 2.153 1.00 0.00 C ATOM 290 OG1 THR A 21 -9.717 -11.884 2.180 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.621 -12.038 3.358 1.00 0.00 C ATOM 0 H THR A 21 -9.536 -10.178 3.919 1.00 0.00 H new ATOM 0 HA THR A 21 -7.264 -9.602 2.255 1.00 0.00 H new ATOM 0 HB THR A 21 -7.891 -11.807 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.753 -12.863 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.663 -13.127 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.580 -11.714 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.090 -11.687 4.277 1.00 0.00 H new ATOM 299 N SER A 22 -10.234 -9.103 0.997 1.00 0.00 N ATOM 300 CA SER A 22 -10.954 -8.537 -0.187 1.00 0.00 C ATOM 301 C SER A 22 -11.913 -7.434 0.278 1.00 0.00 C ATOM 302 O SER A 22 -13.119 -7.574 0.214 1.00 0.00 O ATOM 303 CB SER A 22 -11.740 -9.655 -0.877 1.00 0.00 C ATOM 304 OG SER A 22 -12.406 -9.120 -2.014 1.00 0.00 O ATOM 0 H SER A 22 -10.822 -9.274 1.813 1.00 0.00 H new ATOM 0 HA SER A 22 -10.236 -8.112 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.067 -10.458 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.463 -10.088 -0.186 1.00 0.00 H new ATOM 0 HG SER A 22 -12.910 -9.831 -2.462 1.00 0.00 H new ATOM 310 N SER A 23 -11.370 -6.336 0.739 1.00 0.00 N ATOM 311 CA SER A 23 -12.211 -5.193 1.219 1.00 0.00 C ATOM 312 C SER A 23 -12.661 -4.325 0.043 1.00 0.00 C ATOM 313 O SER A 23 -12.304 -4.554 -1.095 1.00 0.00 O ATOM 314 CB SER A 23 -11.406 -4.327 2.192 1.00 0.00 C ATOM 315 OG SER A 23 -10.682 -3.345 1.462 1.00 0.00 O ATOM 0 H SER A 23 -10.364 -6.179 0.805 1.00 0.00 H new ATOM 0 HA SER A 23 -13.088 -5.602 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.074 -3.846 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.719 -4.949 2.767 1.00 0.00 H new ATOM 0 HG SER A 23 -10.404 -3.718 0.599 1.00 0.00 H new ATOM 321 N LYS A 24 -13.458 -3.330 0.336 1.00 0.00 N ATOM 322 CA LYS A 24 -13.983 -2.423 -0.724 1.00 0.00 C ATOM 323 C LYS A 24 -12.846 -1.750 -1.483 1.00 0.00 C ATOM 324 O LYS A 24 -11.932 -1.190 -0.910 1.00 0.00 O ATOM 325 CB LYS A 24 -14.873 -1.353 -0.085 1.00 0.00 C ATOM 326 CG LYS A 24 -15.546 -0.536 -1.191 1.00 0.00 C ATOM 327 CD LYS A 24 -16.509 0.483 -0.575 1.00 0.00 C ATOM 328 CE LYS A 24 -17.185 1.286 -1.691 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.140 2.263 -1.094 1.00 0.00 N ATOM 0 H LYS A 24 -13.771 -3.106 1.280 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.562 -3.019 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.627 -1.820 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.278 -0.701 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.791 -0.022 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.087 -1.199 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.261 -0.028 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.968 1.153 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.434 1.810 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.712 0.614 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.599 2.808 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.863 1.752 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.625 2.911 -0.465 1.00 0.00 H new ATOM 343 N VAL A 25 -12.924 -1.802 -2.782 1.00 0.00 N ATOM 344 CA VAL A 25 -11.886 -1.181 -3.644 1.00 0.00 C ATOM 345 C VAL A 25 -12.206 0.297 -3.821 1.00 0.00 C ATOM 346 O VAL A 25 -13.308 0.669 -4.167 1.00 0.00 O ATOM 347 CB VAL A 25 -11.883 -1.885 -5.007 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.904 -1.183 -5.951 1.00 0.00 C ATOM 349 CG2 VAL A 25 -11.450 -3.340 -4.819 1.00 0.00 C ATOM 0 H VAL A 25 -13.680 -2.259 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.903 -1.283 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.884 -1.848 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.906 -1.687 -6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.207 -0.144 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.901 -1.217 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.446 -3.846 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.448 -3.369 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.147 -3.843 -4.149 1.00 0.00 H new ATOM 359 N ILE A 26 -11.238 1.141 -3.579 1.00 0.00 N ATOM 360 CA ILE A 26 -11.444 2.615 -3.719 1.00 0.00 C ATOM 361 C ILE A 26 -10.548 3.143 -4.836 1.00 0.00 C ATOM 362 O ILE A 26 -10.628 4.295 -5.212 1.00 0.00 O ATOM 363 CB ILE A 26 -11.095 3.306 -2.396 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.645 2.996 -1.997 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.037 2.805 -1.300 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.273 3.809 -0.753 1.00 0.00 C ATOM 0 H ILE A 26 -10.300 0.869 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.486 2.822 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.206 4.383 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.532 1.931 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.971 3.239 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.792 3.294 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.067 3.036 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.925 1.727 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.244 3.589 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.370 4.873 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.940 3.544 0.067 1.00 0.00 H new ATOM 378 N GLY A 27 -9.697 2.308 -5.370 1.00 0.00 N ATOM 379 CA GLY A 27 -8.794 2.763 -6.468 1.00 0.00 C ATOM 380 C GLY A 27 -7.712 1.719 -6.744 1.00 0.00 C ATOM 381 O GLY A 27 -7.787 0.585 -6.311 1.00 0.00 O ATOM 0 H GLY A 27 -9.588 1.332 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.375 2.941 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.331 3.711 -6.195 1.00 0.00 H new ATOM 385 N SER A 28 -6.703 2.112 -7.475 1.00 0.00 N ATOM 386 CA SER A 28 -5.591 1.182 -7.815 1.00 0.00 C ATOM 387 C SER A 28 -4.301 1.969 -8.027 1.00 0.00 C ATOM 388 O SER A 28 -4.315 3.133 -8.377 1.00 0.00 O ATOM 389 CB SER A 28 -5.924 0.420 -9.095 1.00 0.00 C ATOM 390 OG SER A 28 -4.853 -0.463 -9.403 1.00 0.00 O ATOM 0 H SER A 28 -6.603 3.053 -7.856 1.00 0.00 H new ATOM 0 HA SER A 28 -5.460 0.478 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.850 -0.141 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.084 1.118 -9.917 1.00 0.00 H new ATOM 0 HG SER A 28 -4.354 -0.670 -8.585 1.00 0.00 H new ATOM 396 N LEU A 29 -3.187 1.324 -7.808 1.00 0.00 N ATOM 397 CA LEU A 29 -1.857 1.985 -7.976 1.00 0.00 C ATOM 398 C LEU A 29 -1.016 1.198 -8.974 1.00 0.00 C ATOM 399 O LEU A 29 -1.147 -0.001 -9.116 1.00 0.00 O ATOM 400 CB LEU A 29 -1.135 2.024 -6.627 1.00 0.00 C ATOM 401 CG LEU A 29 -1.990 2.780 -5.602 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.283 2.761 -4.242 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.187 4.236 -6.059 1.00 0.00 C ATOM 0 H LEU A 29 -3.140 0.348 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.003 3.000 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.944 1.010 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.166 2.512 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.964 2.298 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.887 3.297 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.149 1.730 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.309 3.243 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.795 4.768 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.216 4.724 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.689 4.249 -7.026 1.00 0.00 H new ATOM 415 N SER A 30 -0.159 1.885 -9.677 1.00 0.00 N ATOM 416 CA SER A 30 0.704 1.224 -10.692 1.00 0.00 C ATOM 417 C SER A 30 1.821 0.436 -10.011 1.00 0.00 C ATOM 418 O SER A 30 2.150 0.656 -8.863 1.00 0.00 O ATOM 419 CB SER A 30 1.317 2.288 -11.604 1.00 0.00 C ATOM 420 OG SER A 30 1.922 3.302 -10.809 1.00 0.00 O ATOM 0 H SER A 30 -0.019 2.892 -9.589 1.00 0.00 H new ATOM 0 HA SER A 30 0.095 0.536 -11.279 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.059 1.835 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.548 2.722 -12.243 1.00 0.00 H new ATOM 0 HG SER A 30 2.415 2.888 -10.071 1.00 0.00 H new ATOM 426 N GLY A 31 2.397 -0.486 -10.729 1.00 0.00 N ATOM 427 CA GLY A 31 3.493 -1.320 -10.168 1.00 0.00 C ATOM 428 C GLY A 31 4.745 -0.474 -9.938 1.00 0.00 C ATOM 429 O GLY A 31 4.946 0.547 -10.566 1.00 0.00 O ATOM 0 H GLY A 31 2.150 -0.700 -11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.172 -1.768 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.721 -2.139 -10.850 1.00 0.00 H new ATOM 433 N ASN A 32 5.585 -0.910 -9.034 1.00 0.00 N ATOM 434 CA ASN A 32 6.845 -0.176 -8.719 1.00 0.00 C ATOM 435 C ASN A 32 6.519 1.247 -8.270 1.00 0.00 C ATOM 436 O ASN A 32 7.259 2.174 -8.533 1.00 0.00 O ATOM 437 CB ASN A 32 7.749 -0.145 -9.958 1.00 0.00 C ATOM 438 CG ASN A 32 9.131 0.391 -9.573 1.00 0.00 C ATOM 439 OD1 ASN A 32 9.379 1.578 -9.652 1.00 0.00 O ATOM 440 ND2 ASN A 32 10.048 -0.438 -9.156 1.00 0.00 N ATOM 0 H ASN A 32 5.446 -1.762 -8.491 1.00 0.00 H new ATOM 0 HA ASN A 32 7.367 -0.689 -7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.841 -1.146 -10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.305 0.485 -10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.971 -0.089 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.842 -1.435 -9.089 1.00 0.00 H new ATOM 447 N THR A 33 5.419 1.423 -7.577 1.00 0.00 N ATOM 448 CA THR A 33 5.032 2.785 -7.088 1.00 0.00 C ATOM 449 C THR A 33 5.356 2.916 -5.602 1.00 0.00 C ATOM 450 O THR A 33 4.962 2.107 -4.783 1.00 0.00 O ATOM 451 CB THR A 33 3.536 3.017 -7.322 1.00 0.00 C ATOM 452 OG1 THR A 33 3.284 3.031 -8.720 1.00 0.00 O ATOM 453 CG2 THR A 33 3.127 4.363 -6.718 1.00 0.00 C ATOM 0 H THR A 33 4.769 0.677 -7.328 1.00 0.00 H new ATOM 0 HA THR A 33 5.597 3.536 -7.640 1.00 0.00 H new ATOM 0 HB THR A 33 2.961 2.220 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.522 3.908 -9.087 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.063 4.528 -6.885 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.330 4.358 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.697 5.163 -7.192 1.00 0.00 H new ATOM 461 N LYS A 34 6.078 3.945 -5.269 1.00 0.00 N ATOM 462 CA LYS A 34 6.471 4.189 -3.857 1.00 0.00 C ATOM 463 C LYS A 34 5.289 4.760 -3.081 1.00 0.00 C ATOM 464 O LYS A 34 4.648 5.703 -3.502 1.00 0.00 O ATOM 465 CB LYS A 34 7.636 5.183 -3.847 1.00 0.00 C ATOM 466 CG LYS A 34 8.131 5.395 -2.415 1.00 0.00 C ATOM 467 CD LYS A 34 9.381 6.290 -2.426 1.00 0.00 C ATOM 468 CE LYS A 34 8.984 7.751 -2.681 1.00 0.00 C ATOM 469 NZ LYS A 34 10.140 8.644 -2.392 1.00 0.00 N ATOM 0 H LYS A 34 6.420 4.642 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 34 6.774 3.255 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.449 4.810 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.317 6.134 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.347 5.856 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.363 4.435 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.904 6.209 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.072 5.953 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.666 7.876 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.136 8.023 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.867 9.632 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.424 8.533 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.937 8.391 -3.010 1.00 0.00 H new ATOM 483 N VAL A 35 5.004 4.182 -1.944 1.00 0.00 N ATOM 484 CA VAL A 35 3.865 4.657 -1.099 1.00 0.00 C ATOM 485 C VAL A 35 4.340 4.860 0.336 1.00 0.00 C ATOM 486 O VAL A 35 4.977 4.008 0.926 1.00 0.00 O ATOM 487 CB VAL A 35 2.733 3.625 -1.129 1.00 0.00 C ATOM 488 CG1 VAL A 35 2.030 3.679 -2.486 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.297 2.217 -0.906 1.00 0.00 C ATOM 0 H VAL A 35 5.518 3.390 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 35 3.496 5.604 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 35 2.022 3.855 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.225 2.945 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.617 4.676 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.747 3.455 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.484 1.491 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.014 1.984 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.794 2.174 0.063 1.00 0.00 H new ATOM 499 N THR A 36 4.026 5.996 0.894 1.00 0.00 N ATOM 500 CA THR A 36 4.439 6.306 2.291 1.00 0.00 C ATOM 501 C THR A 36 3.538 5.569 3.273 1.00 0.00 C ATOM 502 O THR A 36 2.330 5.561 3.142 1.00 0.00 O ATOM 503 CB THR A 36 4.338 7.818 2.529 1.00 0.00 C ATOM 504 OG1 THR A 36 3.115 8.309 1.995 1.00 0.00 O ATOM 505 CG2 THR A 36 5.512 8.522 1.846 1.00 0.00 C ATOM 0 H THR A 36 3.493 6.734 0.434 1.00 0.00 H new ATOM 0 HA THR A 36 5.469 5.983 2.443 1.00 0.00 H new ATOM 0 HB THR A 36 4.367 8.016 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.385 7.703 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.440 9.596 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.450 8.151 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.484 8.321 0.775 1.00 0.00 H new ATOM 513 N ILE A 37 4.131 4.958 4.262 1.00 0.00 N ATOM 514 CA ILE A 37 3.349 4.205 5.286 1.00 0.00 C ATOM 515 C ILE A 37 3.325 4.995 6.589 1.00 0.00 C ATOM 516 O ILE A 37 4.349 5.402 7.104 1.00 0.00 O ATOM 517 CB ILE A 37 4.002 2.838 5.518 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.872 1.994 4.246 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.302 2.125 6.677 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.725 0.731 4.374 1.00 0.00 C ATOM 0 H ILE A 37 5.141 4.948 4.407 1.00 0.00 H new ATOM 0 HA ILE A 37 2.327 4.062 4.936 1.00 0.00 H new ATOM 0 HB ILE A 37 5.056 2.974 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.829 1.724 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.191 2.573 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.768 1.153 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.391 2.727 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.248 1.986 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.629 0.134 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.769 1.010 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.385 0.148 5.230 1.00 0.00 H new ATOM 532 N VAL A 38 2.148 5.213 7.116 1.00 0.00 N ATOM 533 CA VAL A 38 2.000 5.975 8.393 1.00 0.00 C ATOM 534 C VAL A 38 1.511 5.027 9.488 1.00 0.00 C ATOM 535 O VAL A 38 1.339 5.420 10.624 1.00 0.00 O ATOM 536 CB VAL A 38 0.984 7.107 8.196 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.520 8.100 7.162 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.352 6.536 7.705 1.00 0.00 C ATOM 0 H VAL A 38 1.270 4.891 6.710 1.00 0.00 H new ATOM 0 HA VAL A 38 2.960 6.401 8.683 1.00 0.00 H new ATOM 0 HB VAL A 38 0.829 7.614 9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.798 8.905 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.464 8.517 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.680 7.587 6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.066 7.348 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.201 6.022 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.739 5.832 8.441 1.00 0.00 H new ATOM 548 N GLY A 39 1.289 3.778 9.157 1.00 0.00 N ATOM 549 CA GLY A 39 0.813 2.805 10.187 1.00 0.00 C ATOM 550 C GLY A 39 0.789 1.383 9.621 1.00 0.00 C ATOM 551 O GLY A 39 0.991 1.158 8.442 1.00 0.00 O ATOM 0 H GLY A 39 1.417 3.392 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.466 2.843 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.185 3.084 10.524 1.00 0.00 H new ATOM 555 N GLU A 40 0.548 0.422 10.476 1.00 0.00 N ATOM 556 CA GLU A 40 0.509 -1.006 10.052 1.00 0.00 C ATOM 557 C GLU A 40 -0.660 -1.719 10.730 1.00 0.00 C ATOM 558 O GLU A 40 -1.024 -1.423 11.851 1.00 0.00 O ATOM 559 CB GLU A 40 1.825 -1.677 10.458 1.00 0.00 C ATOM 560 CG GLU A 40 1.748 -3.189 10.195 1.00 0.00 C ATOM 561 CD GLU A 40 1.054 -3.908 11.361 1.00 0.00 C ATOM 562 OE1 GLU A 40 1.131 -3.416 12.475 1.00 0.00 O ATOM 563 OE2 GLU A 40 0.459 -4.946 11.117 1.00 0.00 O ATOM 0 H GLU A 40 0.373 0.573 11.470 1.00 0.00 H new ATOM 0 HA GLU A 40 0.378 -1.064 8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.652 -1.244 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.026 -1.493 11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.202 -3.375 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.752 -3.591 10.059 1.00 0.00 H new ATOM 570 N GLU A 41 -1.247 -2.666 10.046 1.00 0.00 N ATOM 571 CA GLU A 41 -2.396 -3.432 10.616 1.00 0.00 C ATOM 572 C GLU A 41 -2.328 -4.887 10.157 1.00 0.00 C ATOM 573 O GLU A 41 -2.557 -5.211 9.007 1.00 0.00 O ATOM 574 CB GLU A 41 -3.715 -2.802 10.153 1.00 0.00 C ATOM 575 CG GLU A 41 -3.950 -1.489 10.908 1.00 0.00 C ATOM 576 CD GLU A 41 -4.199 -1.783 12.390 1.00 0.00 C ATOM 577 OE1 GLU A 41 -5.059 -2.600 12.674 1.00 0.00 O ATOM 578 OE2 GLU A 41 -3.519 -1.194 13.214 1.00 0.00 O ATOM 0 H GLU A 41 -0.975 -2.945 9.103 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.344 -3.400 11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.684 -2.615 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.541 -3.490 10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.085 -0.835 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.804 -0.962 10.483 1.00 0.00 H new ATOM 585 N GLY A 42 -2.019 -5.761 11.073 1.00 0.00 N ATOM 586 CA GLY A 42 -1.931 -7.215 10.758 1.00 0.00 C ATOM 587 C GLY A 42 -0.964 -7.451 9.608 1.00 0.00 C ATOM 588 O GLY A 42 0.118 -6.901 9.561 1.00 0.00 O ATOM 0 H GLY A 42 -1.820 -5.525 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.600 -7.765 11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.918 -7.597 10.496 1.00 0.00 H new ATOM 592 N ALA A 43 -1.356 -8.275 8.677 1.00 0.00 N ATOM 593 CA ALA A 43 -0.485 -8.577 7.507 1.00 0.00 C ATOM 594 C ALA A 43 -0.779 -7.566 6.403 1.00 0.00 C ATOM 595 O ALA A 43 -0.660 -7.857 5.227 1.00 0.00 O ATOM 596 CB ALA A 43 -0.776 -9.996 7.010 1.00 0.00 C ATOM 0 H ALA A 43 -2.254 -8.758 8.677 1.00 0.00 H new ATOM 0 HA ALA A 43 0.565 -8.511 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.140 -10.219 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.574 -10.710 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.822 -10.070 6.714 1.00 0.00 H new ATOM 602 N PHE A 44 -1.162 -6.373 6.784 1.00 0.00 N ATOM 603 CA PHE A 44 -1.469 -5.313 5.779 1.00 0.00 C ATOM 604 C PHE A 44 -0.818 -3.999 6.198 1.00 0.00 C ATOM 605 O PHE A 44 -0.760 -3.662 7.364 1.00 0.00 O ATOM 606 CB PHE A 44 -2.982 -5.114 5.685 1.00 0.00 C ATOM 607 CG PHE A 44 -3.620 -6.357 5.116 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.704 -6.526 3.729 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.127 -7.339 5.973 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.298 -7.677 3.199 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.720 -8.492 5.444 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.805 -8.661 4.056 1.00 0.00 C ATOM 0 H PHE A 44 -1.276 -6.087 7.757 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.078 -5.621 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.393 -4.901 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.208 -4.255 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.310 -5.768 3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.061 -7.208 7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.365 -7.806 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.112 -9.250 6.106 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.262 -9.550 3.647 1.00 0.00 H new ATOM 622 N TYR A 45 -0.344 -3.249 5.239 1.00 0.00 N ATOM 623 CA TYR A 45 0.302 -1.933 5.534 1.00 0.00 C ATOM 624 C TYR A 45 -0.604 -0.806 5.071 1.00 0.00 C ATOM 625 O TYR A 45 -1.224 -0.868 4.028 1.00 0.00 O ATOM 626 CB TYR A 45 1.652 -1.840 4.809 1.00 0.00 C ATOM 627 CG TYR A 45 2.708 -2.545 5.629 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.050 -2.044 6.892 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.341 -3.688 5.134 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.024 -2.691 7.659 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.316 -4.332 5.902 1.00 0.00 C ATOM 632 CZ TYR A 45 4.657 -3.835 7.164 1.00 0.00 C ATOM 633 OH TYR A 45 5.615 -4.474 7.922 1.00 0.00 O ATOM 0 H TYR A 45 -0.377 -3.495 4.250 1.00 0.00 H new ATOM 0 HA TYR A 45 0.467 -1.848 6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.579 -2.294 3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.927 -0.796 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.562 -1.159 7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.078 -4.073 4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.287 -2.307 8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.807 -5.215 5.520 1.00 0.00 H new ATOM 0 HH TYR A 45 5.954 -5.252 7.432 1.00 0.00 H new ATOM 643 N LYS A 46 -0.668 0.234 5.852 1.00 0.00 N ATOM 644 CA LYS A 46 -1.518 1.401 5.496 1.00 0.00 C ATOM 645 C LYS A 46 -0.686 2.434 4.754 1.00 0.00 C ATOM 646 O LYS A 46 0.477 2.637 5.035 1.00 0.00 O ATOM 647 CB LYS A 46 -2.096 2.028 6.766 1.00 0.00 C ATOM 648 CG LYS A 46 -3.149 1.096 7.360 1.00 0.00 C ATOM 649 CD LYS A 46 -3.909 1.815 8.479 1.00 0.00 C ATOM 650 CE LYS A 46 -2.975 2.072 9.663 1.00 0.00 C ATOM 651 NZ LYS A 46 -3.782 2.408 10.869 1.00 0.00 N ATOM 0 H LYS A 46 -0.161 0.326 6.732 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.334 1.066 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.301 2.205 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.540 2.997 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.844 0.776 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.673 0.197 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.310 2.759 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.758 1.212 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.364 1.190 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.292 2.889 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.147 2.583 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.347 3.261 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.416 1.615 11.094 1.00 0.00 H new ATOM 665 N ILE A 47 -1.291 3.085 3.799 1.00 0.00 N ATOM 666 CA ILE A 47 -0.577 4.121 2.998 1.00 0.00 C ATOM 667 C ILE A 47 -1.433 5.378 2.887 1.00 0.00 C ATOM 668 O ILE A 47 -2.649 5.330 2.941 1.00 0.00 O ATOM 669 CB ILE A 47 -0.278 3.569 1.602 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.582 3.124 0.923 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.672 2.376 1.717 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.294 2.726 -0.526 1.00 0.00 C ATOM 0 H ILE A 47 -2.266 2.941 3.535 1.00 0.00 H new ATOM 0 HA ILE A 47 0.359 4.377 3.494 1.00 0.00 H new ATOM 0 HB ILE A 47 0.188 4.350 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.017 2.283 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.313 3.932 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.885 1.983 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.602 2.695 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.207 1.598 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.220 2.410 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.879 3.579 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.578 1.904 -0.542 1.00 0.00 H new ATOM 684 N GLU A 48 -0.791 6.504 2.733 1.00 0.00 N ATOM 685 CA GLU A 48 -1.528 7.793 2.620 1.00 0.00 C ATOM 686 C GLU A 48 -2.154 7.909 1.238 1.00 0.00 C ATOM 687 O GLU A 48 -1.534 8.366 0.298 1.00 0.00 O ATOM 688 CB GLU A 48 -0.560 8.959 2.849 1.00 0.00 C ATOM 689 CG GLU A 48 -1.343 10.276 2.821 1.00 0.00 C ATOM 690 CD GLU A 48 -0.408 11.449 3.132 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.795 11.250 3.102 1.00 0.00 O ATOM 692 OE2 GLU A 48 -0.915 12.529 3.390 1.00 0.00 O ATOM 0 H GLU A 48 0.224 6.586 2.680 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.316 7.825 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.053 8.844 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.211 8.964 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.801 10.415 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.153 10.243 3.550 1.00 0.00 H new ATOM 699 N TYR A 49 -3.390 7.504 1.121 1.00 0.00 N ATOM 700 CA TYR A 49 -4.102 7.581 -0.187 1.00 0.00 C ATOM 701 C TYR A 49 -5.163 8.675 -0.128 1.00 0.00 C ATOM 702 O TYR A 49 -5.817 8.881 0.877 1.00 0.00 O ATOM 703 CB TYR A 49 -4.762 6.240 -0.497 1.00 0.00 C ATOM 704 CG TYR A 49 -5.448 6.340 -1.837 1.00 0.00 C ATOM 705 CD1 TYR A 49 -4.694 6.267 -3.015 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.834 6.522 -1.904 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.327 6.372 -4.258 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.467 6.630 -3.149 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.713 6.554 -4.325 1.00 0.00 C ATOM 710 OH TYR A 49 -7.336 6.662 -5.551 1.00 0.00 O ATOM 0 H TYR A 49 -3.943 7.118 1.886 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.384 7.816 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.016 5.446 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.483 5.985 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.624 6.130 -2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.416 6.579 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.746 6.313 -5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.536 6.772 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.299 6.783 -5.419 1.00 0.00 H new ATOM 720 N LYS A 50 -5.325 9.376 -1.209 1.00 0.00 N ATOM 721 CA LYS A 50 -6.324 10.474 -1.271 1.00 0.00 C ATOM 722 C LYS A 50 -7.706 9.955 -0.887 1.00 0.00 C ATOM 723 O LYS A 50 -8.258 9.077 -1.517 1.00 0.00 O ATOM 724 CB LYS A 50 -6.353 11.049 -2.695 1.00 0.00 C ATOM 725 CG LYS A 50 -6.550 9.924 -3.721 1.00 0.00 C ATOM 726 CD LYS A 50 -6.250 10.450 -5.128 1.00 0.00 C ATOM 727 CE LYS A 50 -7.321 11.460 -5.545 1.00 0.00 C ATOM 728 NZ LYS A 50 -7.212 11.722 -7.006 1.00 0.00 N ATOM 0 H LYS A 50 -4.797 9.232 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.043 11.257 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.160 11.777 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.422 11.578 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.892 9.087 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.573 9.550 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.267 10.920 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.222 9.623 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.312 11.075 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.197 12.389 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.940 12.408 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.270 12.107 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.350 10.834 -7.529 1.00 0.00 H new ATOM 742 N GLY A 51 -8.262 10.512 0.152 1.00 0.00 N ATOM 743 CA GLY A 51 -9.618 10.098 0.623 1.00 0.00 C ATOM 744 C GLY A 51 -9.487 9.367 1.959 1.00 0.00 C ATOM 745 O GLY A 51 -10.200 9.651 2.901 1.00 0.00 O ATOM 0 H GLY A 51 -7.828 11.250 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.259 10.972 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.090 9.449 -0.115 1.00 0.00 H new ATOM 749 N SER A 52 -8.580 8.428 2.041 1.00 0.00 N ATOM 750 CA SER A 52 -8.393 7.665 3.310 1.00 0.00 C ATOM 751 C SER A 52 -7.095 6.850 3.257 1.00 0.00 C ATOM 752 O SER A 52 -6.214 7.103 2.455 1.00 0.00 O ATOM 753 CB SER A 52 -9.574 6.714 3.518 1.00 0.00 C ATOM 754 OG SER A 52 -10.784 7.456 3.483 1.00 0.00 O ATOM 0 H SER A 52 -7.958 8.156 1.279 1.00 0.00 H new ATOM 0 HA SER A 52 -8.337 8.373 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.581 5.948 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.477 6.199 4.474 1.00 0.00 H new ATOM 0 HG SER A 52 -10.608 8.382 3.753 1.00 0.00 H new ATOM 760 N HIS A 53 -6.973 5.876 4.124 1.00 0.00 N ATOM 761 CA HIS A 53 -5.736 5.034 4.166 1.00 0.00 C ATOM 762 C HIS A 53 -5.982 3.713 3.446 1.00 0.00 C ATOM 763 O HIS A 53 -6.850 2.940 3.803 1.00 0.00 O ATOM 764 CB HIS A 53 -5.352 4.762 5.623 1.00 0.00 C ATOM 765 CG HIS A 53 -4.966 6.054 6.290 1.00 0.00 C ATOM 766 ND1 HIS A 53 -5.906 6.915 6.836 1.00 0.00 N ATOM 767 CD2 HIS A 53 -3.746 6.645 6.509 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.242 7.964 7.353 1.00 0.00 C ATOM 769 NE2 HIS A 53 -3.922 7.850 7.182 1.00 0.00 N ATOM 0 H HIS A 53 -7.684 5.625 4.811 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.924 5.565 3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.188 4.304 6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.522 4.056 5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.794 6.236 6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.718 8.798 7.847 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.199 8.505 7.480 1.00 0.00 H new ATOM 777 N GLY A 54 -5.210 3.468 2.428 1.00 0.00 N ATOM 778 CA GLY A 54 -5.356 2.219 1.633 1.00 0.00 C ATOM 779 C GLY A 54 -4.617 1.072 2.308 1.00 0.00 C ATOM 780 O GLY A 54 -3.575 1.249 2.901 1.00 0.00 O ATOM 0 H GLY A 54 -4.470 4.092 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.412 1.968 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.963 2.372 0.628 1.00 0.00 H new ATOM 784 N TYR A 55 -5.160 -0.110 2.202 1.00 0.00 N ATOM 785 CA TYR A 55 -4.524 -1.312 2.817 1.00 0.00 C ATOM 786 C TYR A 55 -3.947 -2.204 1.724 1.00 0.00 C ATOM 787 O TYR A 55 -4.558 -2.428 0.693 1.00 0.00 O ATOM 788 CB TYR A 55 -5.573 -2.089 3.615 1.00 0.00 C ATOM 789 CG TYR A 55 -5.962 -1.295 4.840 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.951 -0.308 4.754 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.333 -1.550 6.065 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.309 0.425 5.893 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.693 -0.820 7.204 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.681 0.168 7.118 1.00 0.00 C ATOM 795 OH TYR A 55 -7.036 0.888 8.240 1.00 0.00 O ATOM 0 H TYR A 55 -6.032 -0.297 1.707 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.721 -0.997 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.451 -2.277 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.176 -3.061 3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.438 -0.112 3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.569 -2.311 6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.070 1.189 5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.209 -1.019 8.149 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.911 0.333 9.038 1.00 0.00 H new ATOM 805 N VAL A 56 -2.764 -2.711 1.952 1.00 0.00 N ATOM 806 CA VAL A 56 -2.103 -3.598 0.949 1.00 0.00 C ATOM 807 C VAL A 56 -1.379 -4.744 1.653 1.00 0.00 C ATOM 808 O VAL A 56 -0.820 -4.587 2.721 1.00 0.00 O ATOM 809 CB VAL A 56 -1.100 -2.789 0.127 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.854 -1.825 -0.789 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.179 -1.993 1.059 1.00 0.00 C ATOM 0 H VAL A 56 -2.221 -2.546 2.800 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.866 -4.012 0.289 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.497 -3.471 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.140 -1.247 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.501 -2.391 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.459 -1.148 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.532 -1.420 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.776 -1.313 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.362 -2.680 1.709 1.00 0.00 H new ATOM 821 N ALA A 57 -1.395 -5.897 1.043 1.00 0.00 N ATOM 822 CA ALA A 57 -0.730 -7.096 1.629 1.00 0.00 C ATOM 823 C ALA A 57 0.783 -6.900 1.662 1.00 0.00 C ATOM 824 O ALA A 57 1.363 -6.265 0.802 1.00 0.00 O ATOM 825 CB ALA A 57 -1.073 -8.330 0.784 1.00 0.00 C ATOM 0 H ALA A 57 -1.850 -6.062 0.145 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.086 -7.238 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.588 -9.209 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.153 -8.478 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.722 -8.181 -0.237 1.00 0.00 H new ATOM 831 N LYS A 58 1.417 -7.450 2.659 1.00 0.00 N ATOM 832 CA LYS A 58 2.895 -7.321 2.791 1.00 0.00 C ATOM 833 C LYS A 58 3.574 -7.992 1.596 1.00 0.00 C ATOM 834 O LYS A 58 4.616 -7.564 1.139 1.00 0.00 O ATOM 835 CB LYS A 58 3.358 -8.014 4.076 1.00 0.00 C ATOM 836 CG LYS A 58 2.696 -7.351 5.285 1.00 0.00 C ATOM 837 CD LYS A 58 3.417 -7.781 6.565 1.00 0.00 C ATOM 838 CE LYS A 58 3.257 -9.289 6.769 1.00 0.00 C ATOM 839 NZ LYS A 58 3.618 -9.635 8.172 1.00 0.00 N ATOM 0 H LYS A 58 0.968 -7.991 3.398 1.00 0.00 H new ATOM 0 HA LYS A 58 3.161 -6.264 2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.101 -9.073 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.443 -7.952 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.731 -6.266 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.644 -7.632 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.474 -7.524 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.009 -7.244 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.230 -9.589 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.895 -9.832 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.511 -10.659 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.605 -9.361 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.991 -9.126 8.827 1.00 0.00 H new ATOM 853 N GLU A 59 2.995 -9.056 1.111 1.00 0.00 N ATOM 854 CA GLU A 59 3.588 -9.802 -0.036 1.00 0.00 C ATOM 855 C GLU A 59 3.897 -8.843 -1.185 1.00 0.00 C ATOM 856 O GLU A 59 4.852 -9.027 -1.914 1.00 0.00 O ATOM 857 CB GLU A 59 2.582 -10.862 -0.514 1.00 0.00 C ATOM 858 CG GLU A 59 2.433 -11.940 0.566 1.00 0.00 C ATOM 859 CD GLU A 59 1.386 -12.975 0.141 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.840 -12.836 -0.941 1.00 0.00 O ATOM 861 OE2 GLU A 59 1.149 -13.894 0.911 1.00 0.00 O ATOM 0 H GLU A 59 2.122 -9.446 1.467 1.00 0.00 H new ATOM 0 HA GLU A 59 4.514 -10.280 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.617 -10.399 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.924 -11.310 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.392 -12.430 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.139 -11.481 1.510 1.00 0.00 H new ATOM 868 N TYR A 60 3.093 -7.829 -1.355 1.00 0.00 N ATOM 869 CA TYR A 60 3.323 -6.858 -2.465 1.00 0.00 C ATOM 870 C TYR A 60 4.233 -5.730 -1.986 1.00 0.00 C ATOM 871 O TYR A 60 4.541 -4.821 -2.730 1.00 0.00 O ATOM 872 CB TYR A 60 1.976 -6.269 -2.901 1.00 0.00 C ATOM 873 CG TYR A 60 1.019 -7.390 -3.252 1.00 0.00 C ATOM 874 CD1 TYR A 60 1.348 -8.305 -4.263 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.198 -7.515 -2.567 1.00 0.00 C ATOM 876 CE1 TYR A 60 0.463 -9.339 -4.585 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.082 -8.551 -2.892 1.00 0.00 C ATOM 878 CZ TYR A 60 -0.750 -9.463 -3.900 1.00 0.00 C ATOM 879 OH TYR A 60 -1.623 -10.483 -4.220 1.00 0.00 O ATOM 0 H TYR A 60 2.282 -7.630 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 60 3.796 -7.370 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.559 -5.659 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.116 -5.614 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.285 -8.211 -4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.454 -6.812 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.717 -10.043 -5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.020 -8.646 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.417 -10.425 -3.649 1.00 0.00 H new ATOM 889 N ILE A 61 4.666 -5.781 -0.752 1.00 0.00 N ATOM 890 CA ILE A 61 5.563 -4.709 -0.212 1.00 0.00 C ATOM 891 C ILE A 61 6.974 -5.249 -0.024 1.00 0.00 C ATOM 892 O ILE A 61 7.192 -6.251 0.626 1.00 0.00 O ATOM 893 CB ILE A 61 5.010 -4.213 1.128 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.580 -3.665 0.925 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.922 -3.107 1.680 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.631 -2.210 0.437 1.00 0.00 C ATOM 0 H ILE A 61 4.437 -6.522 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 61 5.599 -3.881 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 61 4.978 -5.039 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.047 -4.280 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.025 -3.722 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.529 -2.754 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.927 -3.503 1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.958 -2.278 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.616 -1.837 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.145 -1.596 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.168 -2.163 -0.511 1.00 0.00 H new ATOM 908 N LYS A 62 7.936 -4.577 -0.605 1.00 0.00 N ATOM 909 CA LYS A 62 9.356 -5.019 -0.492 1.00 0.00 C ATOM 910 C LYS A 62 10.295 -3.808 -0.458 1.00 0.00 C ATOM 911 O LYS A 62 9.930 -2.704 -0.818 1.00 0.00 O ATOM 912 CB LYS A 62 9.709 -5.907 -1.692 1.00 0.00 C ATOM 913 CG LYS A 62 9.755 -5.073 -2.982 1.00 0.00 C ATOM 914 CD LYS A 62 10.006 -5.994 -4.179 1.00 0.00 C ATOM 915 CE LYS A 62 10.116 -5.151 -5.456 1.00 0.00 C ATOM 916 NZ LYS A 62 10.343 -6.044 -6.627 1.00 0.00 N ATOM 0 H LYS A 62 7.794 -3.732 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 62 9.477 -5.581 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.674 -6.386 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.971 -6.703 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.816 -4.536 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.544 -4.324 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.922 -6.565 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.194 -6.714 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.205 -4.570 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.936 -4.439 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.172 -5.713 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.509 -7.016 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.506 -6.027 -7.244 1.00 0.00 H new ATOM 930 N ASP A 63 11.509 -4.039 -0.030 1.00 0.00 N ATOM 931 CA ASP A 63 12.538 -2.961 0.053 1.00 0.00 C ATOM 932 C ASP A 63 12.031 -1.837 0.952 1.00 0.00 C ATOM 933 O ASP A 63 11.979 -0.686 0.561 1.00 0.00 O ATOM 934 CB ASP A 63 12.867 -2.424 -1.346 1.00 0.00 C ATOM 935 CG ASP A 63 13.672 -3.472 -2.124 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.161 -4.401 -1.502 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.785 -3.324 -3.330 1.00 0.00 O ATOM 0 H ASP A 63 11.838 -4.956 0.274 1.00 0.00 H new ATOM 0 HA ASP A 63 13.452 -3.373 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.947 -2.187 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.437 -1.498 -1.266 1.00 0.00 H new ATOM 942 N ILE A 64 11.658 -2.175 2.157 1.00 0.00 N ATOM 943 CA ILE A 64 11.145 -1.152 3.109 1.00 0.00 C ATOM 944 C ILE A 64 12.311 -0.335 3.658 1.00 0.00 C ATOM 945 O ILE A 64 13.276 -0.866 4.170 1.00 0.00 O ATOM 946 CB ILE A 64 10.400 -1.852 4.254 1.00 0.00 C ATOM 947 CG1 ILE A 64 9.159 -2.556 3.688 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.968 -0.820 5.299 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.547 -3.471 4.752 1.00 0.00 C ATOM 0 H ILE A 64 11.688 -3.126 2.525 1.00 0.00 H new ATOM 0 HA ILE A 64 10.457 -0.481 2.594 1.00 0.00 H new ATOM 0 HB ILE A 64 11.058 -2.582 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.426 -1.816 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.431 -3.139 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.440 -1.322 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.848 -0.315 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.308 -0.087 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.667 -3.967 4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.279 -4.221 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.259 -2.878 5.620 1.00 0.00 H new ATOM 961 N LYS A 65 12.219 0.965 3.537 1.00 0.00 N ATOM 962 CA LYS A 65 13.308 1.868 4.027 1.00 0.00 C ATOM 963 C LYS A 65 12.724 2.964 4.911 1.00 0.00 C ATOM 964 O LYS A 65 11.623 3.435 4.702 1.00 0.00 O ATOM 965 CB LYS A 65 14.021 2.504 2.835 1.00 0.00 C ATOM 966 CG LYS A 65 14.778 1.425 2.058 1.00 0.00 C ATOM 967 CD LYS A 65 15.473 2.052 0.846 1.00 0.00 C ATOM 968 CE LYS A 65 16.248 0.978 0.080 1.00 0.00 C ATOM 969 NZ LYS A 65 16.903 1.592 -1.109 1.00 0.00 N ATOM 0 H LYS A 65 11.426 1.447 3.114 1.00 0.00 H new ATOM 0 HA LYS A 65 14.018 1.281 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.297 2.995 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.713 3.272 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.514 0.947 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.088 0.647 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.735 2.517 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.152 2.840 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.998 0.524 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.573 0.182 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.430 0.863 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.178 2.006 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.559 2.337 -0.798 1.00 0.00 H new ATOM 983 N ASP A 66 13.469 3.362 5.905 1.00 0.00 N ATOM 984 CA ASP A 66 12.996 4.421 6.841 1.00 0.00 C ATOM 985 C ASP A 66 13.416 5.792 6.321 1.00 0.00 C ATOM 986 O ASP A 66 14.568 6.169 6.406 1.00 0.00 O ATOM 987 CB ASP A 66 13.621 4.189 8.221 1.00 0.00 C ATOM 988 CG ASP A 66 13.072 2.896 8.830 1.00 0.00 C ATOM 989 OD1 ASP A 66 12.136 2.349 8.271 1.00 0.00 O ATOM 990 OD2 ASP A 66 13.602 2.472 9.845 1.00 0.00 O ATOM 0 H ASP A 66 14.398 2.994 6.111 1.00 0.00 H new ATOM 0 HA ASP A 66 11.909 4.381 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.706 4.128 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.401 5.032 8.876 1.00 0.00 H new ATOM 995 N GLU A 67 12.471 6.534 5.796 1.00 0.00 N ATOM 996 CA GLU A 67 12.748 7.900 5.258 1.00 0.00 C ATOM 997 C GLU A 67 14.145 7.949 4.639 1.00 0.00 C ATOM 998 O GLU A 67 15.086 8.419 5.244 1.00 0.00 O ATOM 999 CB GLU A 67 12.628 8.924 6.393 1.00 0.00 C ATOM 1000 CG GLU A 67 12.810 10.341 5.839 1.00 0.00 C ATOM 1001 CD GLU A 67 11.625 10.707 4.936 1.00 0.00 C ATOM 1002 OE1 GLU A 67 10.660 9.961 4.920 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.708 11.726 4.273 1.00 0.00 O ATOM 0 H GLU A 67 11.497 6.241 5.717 1.00 0.00 H new ATOM 0 HA GLU A 67 12.022 8.140 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.654 8.835 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.380 8.723 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.886 11.054 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.741 10.403 5.275 1.00 0.00 H new ATOM 1010 N VAL A 68 14.278 7.449 3.439 1.00 0.00 N ATOM 1011 CA VAL A 68 15.609 7.441 2.755 1.00 0.00 C ATOM 1012 C VAL A 68 15.645 8.517 1.673 1.00 0.00 C ATOM 1013 O VAL A 68 14.936 8.454 0.688 1.00 0.00 O ATOM 1014 CB VAL A 68 15.847 6.065 2.121 1.00 0.00 C ATOM 1015 CG1 VAL A 68 14.735 5.745 1.107 1.00 0.00 C ATOM 1016 CG2 VAL A 68 17.204 6.070 1.412 1.00 0.00 C ATOM 0 H VAL A 68 13.516 7.042 2.897 1.00 0.00 H new ATOM 0 HA VAL A 68 16.390 7.647 3.487 1.00 0.00 H new ATOM 0 HB VAL A 68 15.838 5.303 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.917 4.765 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.770 5.741 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.729 6.502 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.381 5.095 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.207 6.837 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.992 6.282 2.135 1.00 0.00 H new ATOM 1026 N LEU A 69 16.481 9.505 1.855 1.00 0.00 N ATOM 1027 CA LEU A 69 16.605 10.609 0.852 1.00 0.00 C ATOM 1028 C LEU A 69 17.798 10.332 -0.064 1.00 0.00 C ATOM 1029 O LEU A 69 18.020 11.031 -1.031 1.00 0.00 O ATOM 1030 CB LEU A 69 16.810 11.947 1.585 1.00 0.00 C ATOM 1031 CG LEU A 69 15.455 12.480 2.076 1.00 0.00 C ATOM 1032 CD1 LEU A 69 14.592 12.919 0.872 1.00 0.00 C ATOM 1033 CD2 LEU A 69 14.722 11.382 2.861 1.00 0.00 C ATOM 0 H LEU A 69 17.092 9.597 2.666 1.00 0.00 H new ATOM 0 HA LEU A 69 15.696 10.663 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 17.486 11.811 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.276 12.671 0.917 1.00 0.00 H new ATOM 0 HG LEU A 69 15.625 13.339 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.633 13.295 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.108 13.706 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.424 12.066 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.761 11.763 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.559 10.520 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.325 11.083 3.718 1.00 0.00 H new ATOM 1045 N GLU A 70 18.555 9.317 0.241 1.00 0.00 N ATOM 1046 CA GLU A 70 19.741 8.965 -0.592 1.00 0.00 C ATOM 1047 C GLU A 70 20.695 10.154 -0.660 1.00 0.00 C ATOM 1048 O GLU A 70 20.750 10.874 -1.639 1.00 0.00 O ATOM 1049 CB GLU A 70 19.286 8.553 -1.995 1.00 0.00 C ATOM 1050 CG GLU A 70 20.490 8.065 -2.807 1.00 0.00 C ATOM 1051 CD GLU A 70 21.041 6.775 -2.191 1.00 0.00 C ATOM 1052 OE1 GLU A 70 20.304 6.123 -1.469 1.00 0.00 O ATOM 1053 OE2 GLU A 70 22.193 6.466 -2.447 1.00 0.00 O ATOM 0 H GLU A 70 18.401 8.707 1.044 1.00 0.00 H new ATOM 0 HA GLU A 70 20.267 8.125 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.537 7.764 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 70 18.815 9.398 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.195 7.888 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 70 21.265 8.832 -2.823 1.00 0.00 H new ATOM 1060 N HIS A 71 21.449 10.348 0.387 1.00 0.00 N ATOM 1061 CA HIS A 71 22.420 11.475 0.437 1.00 0.00 C ATOM 1062 C HIS A 71 23.697 11.101 -0.309 1.00 0.00 C ATOM 1063 O HIS A 71 24.128 9.964 -0.310 1.00 0.00 O ATOM 1064 CB HIS A 71 22.764 11.793 1.896 1.00 0.00 C ATOM 1065 CG HIS A 71 21.565 12.394 2.579 1.00 0.00 C ATOM 1066 ND1 HIS A 71 20.670 11.630 3.311 1.00 0.00 N ATOM 1067 CD2 HIS A 71 21.102 13.685 2.648 1.00 0.00 C ATOM 1068 CE1 HIS A 71 19.723 12.458 3.784 1.00 0.00 C ATOM 1069 NE2 HIS A 71 19.937 13.723 3.410 1.00 0.00 N ATOM 0 H HIS A 71 21.432 9.763 1.223 1.00 0.00 H new ATOM 0 HA HIS A 71 21.970 12.349 -0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 71 23.072 10.885 2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 71 23.605 12.486 1.939 1.00 0.00 H new ATOM 0 HD2 HIS A 71 21.570 14.540 2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 71 18.890 12.140 4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 71 19.369 14.540 3.634 1.00 0.00 H new ATOM 1077 N HIS A 72 24.294 12.074 -0.943 1.00 0.00 N ATOM 1078 CA HIS A 72 25.551 11.856 -1.716 1.00 0.00 C ATOM 1079 C HIS A 72 25.482 10.526 -2.464 1.00 0.00 C ATOM 1080 O HIS A 72 25.979 9.513 -2.013 1.00 0.00 O ATOM 1081 CB HIS A 72 26.752 11.883 -0.767 1.00 0.00 C ATOM 1082 CG HIS A 72 26.932 13.283 -0.239 1.00 0.00 C ATOM 1083 ND1 HIS A 72 26.218 13.761 0.851 1.00 0.00 N ATOM 1084 CD2 HIS A 72 27.735 14.323 -0.644 1.00 0.00 C ATOM 1085 CE1 HIS A 72 26.602 15.034 1.062 1.00 0.00 C ATOM 1086 NE2 HIS A 72 27.524 15.426 0.180 1.00 0.00 N ATOM 0 H HIS A 72 23.954 13.035 -0.957 1.00 0.00 H new ATOM 0 HA HIS A 72 25.668 12.655 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 72 26.595 11.187 0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 72 27.652 11.560 -1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 72 28.424 14.290 -1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 72 26.211 15.662 1.849 1.00 0.00 H new ATOM 0 HE2 HIS A 72 27.977 16.338 0.122 1.00 0.00 H new ATOM 1094 N HIS A 73 24.861 10.538 -3.613 1.00 0.00 N ATOM 1095 CA HIS A 73 24.735 9.299 -4.429 1.00 0.00 C ATOM 1096 C HIS A 73 25.979 9.154 -5.310 1.00 0.00 C ATOM 1097 O HIS A 73 26.252 8.097 -5.844 1.00 0.00 O ATOM 1098 CB HIS A 73 23.480 9.402 -5.313 1.00 0.00 C ATOM 1099 CG HIS A 73 23.651 10.493 -6.339 1.00 0.00 C ATOM 1100 ND1 HIS A 73 23.370 11.824 -6.063 1.00 0.00 N ATOM 1101 CD2 HIS A 73 24.066 10.465 -7.650 1.00 0.00 C ATOM 1102 CE1 HIS A 73 23.617 12.532 -7.181 1.00 0.00 C ATOM 1103 NE2 HIS A 73 24.043 11.753 -8.178 1.00 0.00 N ATOM 0 H HIS A 73 24.430 11.366 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 73 24.647 8.429 -3.778 1.00 0.00 H new ATOM 0 HB2 HIS A 73 23.299 8.450 -5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 73 22.607 9.609 -4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 73 24.365 9.578 -8.189 1.00 0.00 H new ATOM 0 HE1 HIS A 73 23.486 13.601 -7.262 1.00 0.00 H new ATOM 0 HE2 HIS A 73 24.297 12.040 -9.123 1.00 0.00 H new ATOM 1111 N HIS A 74 26.729 10.217 -5.459 1.00 0.00 N ATOM 1112 CA HIS A 74 27.961 10.174 -6.301 1.00 0.00 C ATOM 1113 C HIS A 74 28.992 9.250 -5.652 1.00 0.00 C ATOM 1114 O HIS A 74 29.617 8.442 -6.313 1.00 0.00 O ATOM 1115 CB HIS A 74 28.547 11.591 -6.415 1.00 0.00 C ATOM 1116 CG HIS A 74 29.715 11.581 -7.365 1.00 0.00 C ATOM 1117 ND1 HIS A 74 30.965 11.102 -7.001 1.00 0.00 N ATOM 1118 CD2 HIS A 74 29.836 11.985 -8.672 1.00 0.00 C ATOM 1119 CE1 HIS A 74 31.774 11.229 -8.068 1.00 0.00 C ATOM 1120 NE2 HIS A 74 31.137 11.762 -9.114 1.00 0.00 N ATOM 0 H HIS A 74 26.537 11.121 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 74 27.711 9.798 -7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 74 27.783 12.284 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 74 28.866 11.943 -5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 74 29.042 12.411 -9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 74 32.813 10.935 -8.078 1.00 0.00 H new ATOM 0 HE2 HIS A 74 31.521 11.962 -10.037 1.00 0.00 H new ATOM 1128 N HIS A 75 29.174 9.372 -4.367 1.00 0.00 N ATOM 1129 CA HIS A 75 30.166 8.516 -3.656 1.00 0.00 C ATOM 1130 C HIS A 75 29.580 7.132 -3.397 1.00 0.00 C ATOM 1131 O HIS A 75 28.410 6.976 -3.107 1.00 0.00 O ATOM 1132 CB HIS A 75 30.541 9.169 -2.323 1.00 0.00 C ATOM 1133 CG HIS A 75 31.302 10.439 -2.583 1.00 0.00 C ATOM 1134 ND1 HIS A 75 30.678 11.674 -2.669 1.00 0.00 N ATOM 1135 CD2 HIS A 75 32.639 10.681 -2.782 1.00 0.00 C ATOM 1136 CE1 HIS A 75 31.630 12.594 -2.910 1.00 0.00 C ATOM 1137 NE2 HIS A 75 32.844 12.041 -2.988 1.00 0.00 N ATOM 0 H HIS A 75 28.674 10.034 -3.773 1.00 0.00 H new ATOM 0 HA HIS A 75 31.055 8.413 -4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 75 29.642 9.383 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 75 31.147 8.485 -1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 75 33.414 9.929 -2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 75 31.437 13.650 -3.026 1.00 0.00 H new ATOM 0 HE2 HIS A 75 33.731 12.515 -3.161 1.00 0.00 H new ATOM 1145 N HIS A 76 30.404 6.128 -3.508 1.00 0.00 N ATOM 1146 CA HIS A 76 29.946 4.729 -3.287 1.00 0.00 C ATOM 1147 C HIS A 76 29.172 4.642 -1.970 1.00 0.00 C ATOM 1148 O HIS A 76 27.960 4.787 -2.010 1.00 0.00 O ATOM 1149 CB HIS A 76 31.168 3.799 -3.240 1.00 0.00 C ATOM 1150 CG HIS A 76 32.283 4.439 -2.453 1.00 0.00 C ATOM 1151 ND1 HIS A 76 32.573 4.065 -1.150 1.00 0.00 N ATOM 1152 CD2 HIS A 76 33.196 5.416 -2.774 1.00 0.00 C ATOM 1153 CE1 HIS A 76 33.619 4.805 -0.738 1.00 0.00 C ATOM 1154 NE2 HIS A 76 34.037 5.645 -1.689 1.00 0.00 N ATOM 1155 OXT HIS A 76 29.801 4.433 -0.946 1.00 0.00 O ATOM 0 H HIS A 76 31.391 6.220 -3.746 1.00 0.00 H new ATOM 0 HA HIS A 76 29.290 4.424 -4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 76 30.892 2.848 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 76 31.507 3.581 -4.253 1.00 0.00 H new ATOM 0 HD2 HIS A 76 33.252 5.928 -3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 76 34.066 4.729 0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 76 34.807 6.311 -1.632 1.00 0.00 H new TER 1163 HIS A 76