USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -75:sc= 0.626 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -2.15 F(o=-4.5!,f=-1.5) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc=-0.00722 USER MOD Set 2.2: A 80 MET CE :methyl -106:sc= -1.84 (180deg=-3.37!) USER MOD Set 3.1: A 65 MET CE :methyl 154:sc= -0.526 (180deg=-0.00551) USER MOD Set 3.2: A 88 LYS NZ :NH3+ -151:sc= -0.339 (180deg=0) USER MOD Set 4.1: A 39 LYS NZ :NH3+ -131:sc= 0.505 (180deg=-0.0707) USER MOD Set 4.2: A 58 THR OG1 : rot -131:sc= 0.724 USER MOD Set 5.1: A 52 ASN : amide:sc= -0.906 K(o=-0.8,f=-4.2!) USER MOD Set 5.2: A 78 THR OG1 : rot 42:sc= 0.109 USER MOD Set 6.1: A 31 ASN : amide:sc= -5.63! C(o=-14!,f=-27!) USER MOD Set 6.2: A 33 HIS : no HD1:sc= -8.85! C(o=-14!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0.899 (180deg=0.899) USER MOD Single : A 5 LYS NZ :NH3+ 143:sc= 1.28 (180deg=-0.457) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -1.56 (180deg=-1.89) USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= -0.251 (180deg=-1.38!) USER MOD Single : A 12 GLN : amide:sc= -2.12! C(o=-2.1!,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.154 (180deg=-1.23) USER MOD Single : A 16 GLN : amide:sc= -0.314 K(o=-0.31,f=-1) USER MOD Single : A 19 THR OG1 : rot 149:sc= 1.08 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.0818 (180deg=-0.513) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.541 K(o=0.54,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 133:sc= -0.177 (180deg=-2.21!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 86:sc= -0.522 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.932 F(o=-7.8!,f=-0.93) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 103:sc= -0.98 USER MOD Single : A 49 THR OG1 : rot -66:sc= -0.372 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.0276 (180deg=-0.283) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.42! C(o=-9.6!,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0111) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -19:sc= -3.22! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.269 F(o=-5.4!,f=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -1.35 (180deg=-2.43) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= -0.037 (180deg=-0.357) USER MOD Single : A 74 TYR OH : rot 14:sc= 0.287 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc=-0.00287 (180deg=-0.173) USER MOD Single : A 87 LYS NZ :NH3+ -126:sc= 0.657 (180deg=-0.159) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 144:sc= 0.046 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 74.381 11.643 -7.453 1.00 0.00 N ATOM 2 CA GLY A 1 74.385 10.181 -7.164 1.00 0.00 C ATOM 3 C GLY A 1 73.725 9.431 -8.316 1.00 0.00 C ATOM 4 O GLY A 1 72.655 9.816 -8.788 1.00 0.00 O ATOM 0 H1 GLY A 1 74.847 12.152 -6.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 74.894 11.823 -8.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 73.400 11.976 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.408 9.830 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.852 9.982 -6.234 1.00 0.00 H new ATOM 10 N ASP A 2 74.370 8.358 -8.765 1.00 0.00 N ATOM 11 CA ASP A 2 73.837 7.559 -9.864 1.00 0.00 C ATOM 12 C ASP A 2 74.234 6.098 -9.706 1.00 0.00 C ATOM 13 O ASP A 2 75.254 5.658 -10.236 1.00 0.00 O ATOM 14 CB ASP A 2 74.360 8.086 -11.200 1.00 0.00 C ATOM 15 CG ASP A 2 73.763 9.459 -11.490 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.606 9.662 -11.158 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.470 10.286 -12.039 1.00 0.00 O1- ATOM 0 H ASP A 2 75.257 8.023 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 2 72.750 7.635 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.448 8.152 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.102 7.392 -12.000 1.00 0.00 H new ATOM 22 N VAL A 3 73.415 5.350 -8.978 1.00 0.00 N ATOM 23 CA VAL A 3 73.680 3.936 -8.757 1.00 0.00 C ATOM 24 C VAL A 3 74.032 3.250 -10.074 1.00 0.00 C ATOM 25 O VAL A 3 74.624 2.170 -10.082 1.00 0.00 O ATOM 26 CB VAL A 3 72.445 3.272 -8.141 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.209 3.625 -8.971 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.629 1.753 -8.126 1.00 0.00 C ATOM 0 H VAL A 3 72.566 5.698 -8.533 1.00 0.00 H new ATOM 0 HA VAL A 3 74.524 3.837 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 3 72.315 3.631 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.330 3.153 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.073 4.707 -8.980 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.342 3.268 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.748 1.284 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.762 1.392 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.508 1.499 -7.534 1.00 0.00 H new ATOM 38 N GLU A 4 73.663 3.882 -11.185 1.00 0.00 N ATOM 39 CA GLU A 4 73.946 3.312 -12.499 1.00 0.00 C ATOM 40 C GLU A 4 75.428 3.440 -12.837 1.00 0.00 C ATOM 41 O GLU A 4 76.112 2.441 -13.066 1.00 0.00 O ATOM 42 CB GLU A 4 73.113 4.024 -13.567 1.00 0.00 C ATOM 43 CG GLU A 4 71.635 3.684 -13.371 1.00 0.00 C ATOM 44 CD GLU A 4 70.777 4.550 -14.286 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.086 4.619 -15.464 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 69.824 5.132 -13.795 1.00 0.00 O ATOM 0 H GLU A 4 73.174 4.777 -11.203 1.00 0.00 H new ATOM 0 HA GLU A 4 73.683 2.254 -12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.261 5.102 -13.500 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.439 3.718 -14.561 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.464 2.630 -13.588 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.351 3.846 -12.331 1.00 0.00 H new ATOM 53 N LYS A 5 75.922 4.672 -12.859 1.00 0.00 N ATOM 54 CA LYS A 5 77.327 4.905 -13.162 1.00 0.00 C ATOM 55 C LYS A 5 78.186 4.420 -12.004 1.00 0.00 C ATOM 56 O LYS A 5 79.377 4.150 -12.171 1.00 0.00 O ATOM 57 CB LYS A 5 77.574 6.395 -13.419 1.00 0.00 C ATOM 58 CG LYS A 5 77.283 6.720 -14.890 1.00 0.00 C ATOM 59 CD LYS A 5 76.985 8.217 -15.048 1.00 0.00 C ATOM 60 CE LYS A 5 75.490 8.472 -14.836 1.00 0.00 C ATOM 61 NZ LYS A 5 75.263 9.922 -14.578 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.378 5.515 -12.673 1.00 0.00 H new ATOM 0 HA LYS A 5 77.595 4.351 -14.062 1.00 0.00 H new ATOM 0 HB2 LYS A 5 76.937 6.996 -12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.606 6.650 -13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.137 6.444 -15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.434 6.133 -15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.567 8.791 -14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.284 8.554 -16.041 1.00 0.00 H new ATOM 0 HE2 LYS A 5 74.928 8.156 -15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.125 7.881 -13.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.375 10.220 -15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 75.202 10.087 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.053 10.472 -14.971 1.00 0.00 H new ATOM 75 N GLY A 6 77.568 4.283 -10.839 1.00 0.00 N ATOM 76 CA GLY A 6 78.282 3.796 -9.669 1.00 0.00 C ATOM 77 C GLY A 6 78.592 2.321 -9.857 1.00 0.00 C ATOM 78 O GLY A 6 79.650 1.834 -9.458 1.00 0.00 O ATOM 0 H GLY A 6 76.584 4.500 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.204 4.360 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.680 3.943 -8.772 1.00 0.00 H new ATOM 82 N LYS A 7 77.659 1.622 -10.496 1.00 0.00 N ATOM 83 CA LYS A 7 77.828 0.205 -10.768 1.00 0.00 C ATOM 84 C LYS A 7 78.957 0.005 -11.772 1.00 0.00 C ATOM 85 O LYS A 7 79.783 -0.893 -11.621 1.00 0.00 O ATOM 86 CB LYS A 7 76.528 -0.378 -11.330 1.00 0.00 C ATOM 87 CG LYS A 7 76.629 -1.906 -11.391 1.00 0.00 C ATOM 88 CD LYS A 7 75.545 -2.463 -12.327 1.00 0.00 C ATOM 89 CE LYS A 7 76.120 -2.659 -13.733 1.00 0.00 C ATOM 90 NZ LYS A 7 76.786 -1.404 -14.181 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.781 2.016 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 7 78.076 -0.308 -9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.686 -0.085 -10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.339 0.023 -12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.616 -2.200 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.512 -2.327 -10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.172 -3.412 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.697 -1.779 -12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.835 -3.482 -13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.324 -2.928 -14.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.995 -1.466 -15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.156 -0.595 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.673 -1.274 -13.653 1.00 0.00 H new ATOM 104 N LYS A 8 78.991 0.854 -12.798 1.00 0.00 N ATOM 105 CA LYS A 8 80.029 0.760 -13.817 1.00 0.00 C ATOM 106 C LYS A 8 81.415 0.916 -13.192 1.00 0.00 C ATOM 107 O LYS A 8 82.328 0.132 -13.462 1.00 0.00 O ATOM 108 CB LYS A 8 79.818 1.846 -14.876 1.00 0.00 C ATOM 109 CG LYS A 8 80.982 1.833 -15.881 1.00 0.00 C ATOM 110 CD LYS A 8 81.976 2.957 -15.555 1.00 0.00 C ATOM 111 CE LYS A 8 81.483 4.276 -16.160 1.00 0.00 C ATOM 112 NZ LYS A 8 81.345 4.124 -17.636 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.318 1.607 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 8 79.965 -0.223 -14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.875 1.679 -15.397 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.750 2.823 -14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.489 0.869 -15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.599 1.958 -16.894 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.083 3.059 -14.475 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.961 2.710 -15.951 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.525 4.554 -15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.184 5.078 -15.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.498 5.044 -18.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.050 3.442 -17.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 80.390 3.779 -17.862 1.00 0.00 H new ATOM 126 N ILE A 9 81.563 1.937 -12.356 1.00 0.00 N ATOM 127 CA ILE A 9 82.836 2.199 -11.698 1.00 0.00 C ATOM 128 C ILE A 9 83.181 1.087 -10.716 1.00 0.00 C ATOM 129 O ILE A 9 84.342 0.901 -10.360 1.00 0.00 O ATOM 130 CB ILE A 9 82.763 3.530 -10.950 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.508 4.665 -11.944 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.084 3.780 -10.222 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.151 5.943 -11.182 1.00 0.00 C ATOM 0 H ILE A 9 80.820 2.594 -12.119 1.00 0.00 H new ATOM 0 HA ILE A 9 83.613 2.243 -12.461 1.00 0.00 H new ATOM 0 HB ILE A 9 81.949 3.492 -10.226 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.394 4.831 -12.558 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.697 4.394 -12.621 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.032 4.729 -9.689 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.266 2.974 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.898 3.815 -10.946 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.970 6.751 -11.891 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.253 5.773 -10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.976 6.216 -10.524 1.00 0.00 H new ATOM 145 N PHE A 10 82.167 0.361 -10.267 1.00 0.00 N ATOM 146 CA PHE A 10 82.381 -0.717 -9.309 1.00 0.00 C ATOM 147 C PHE A 10 82.848 -2.000 -10.001 1.00 0.00 C ATOM 148 O PHE A 10 83.851 -2.591 -9.607 1.00 0.00 O ATOM 149 CB PHE A 10 81.082 -0.993 -8.538 1.00 0.00 C ATOM 150 CG PHE A 10 81.087 -2.417 -8.034 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.601 -3.446 -8.848 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.593 -2.710 -6.764 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.622 -4.769 -8.394 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.612 -4.033 -6.307 1.00 0.00 C ATOM 155 CZ PHE A 10 81.128 -5.064 -7.124 1.00 0.00 C ATOM 0 H PHE A 10 81.196 0.496 -10.547 1.00 0.00 H new ATOM 0 HA PHE A 10 83.163 -0.400 -8.619 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.989 -0.300 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.221 -0.828 -9.185 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.209 -3.219 -9.828 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.969 -1.916 -6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.248 -5.562 -9.024 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.000 -4.259 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.146 -6.085 -6.773 1.00 0.00 H new ATOM 165 N VAL A 11 82.108 -2.433 -11.016 1.00 0.00 N ATOM 166 CA VAL A 11 82.448 -3.661 -11.733 1.00 0.00 C ATOM 167 C VAL A 11 83.873 -3.621 -12.257 1.00 0.00 C ATOM 168 O VAL A 11 84.525 -4.656 -12.390 1.00 0.00 O ATOM 169 CB VAL A 11 81.498 -3.875 -12.910 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.078 -4.083 -12.390 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.529 -2.649 -13.819 1.00 0.00 C ATOM 0 H VAL A 11 81.274 -1.957 -11.361 1.00 0.00 H new ATOM 0 HA VAL A 11 82.353 -4.484 -11.025 1.00 0.00 H new ATOM 0 HB VAL A 11 81.812 -4.755 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.401 -4.236 -13.231 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.053 -4.958 -11.741 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.764 -3.204 -11.827 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.851 -2.802 -14.659 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.216 -1.770 -13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.542 -2.499 -14.193 1.00 0.00 H new ATOM 181 N GLN A 12 84.342 -2.428 -12.587 1.00 0.00 N ATOM 182 CA GLN A 12 85.688 -2.287 -13.132 1.00 0.00 C ATOM 183 C GLN A 12 86.719 -1.919 -12.066 1.00 0.00 C ATOM 184 O GLN A 12 87.911 -2.164 -12.251 1.00 0.00 O ATOM 185 CB GLN A 12 85.687 -1.215 -14.221 1.00 0.00 C ATOM 186 CG GLN A 12 85.441 0.158 -13.596 1.00 0.00 C ATOM 187 CD GLN A 12 85.193 1.178 -14.700 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.827 2.320 -14.425 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.372 0.826 -15.944 1.00 0.00 N ATOM 0 H GLN A 12 83.823 -1.555 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 12 85.973 -3.256 -13.543 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.641 -1.219 -14.749 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.914 -1.433 -14.958 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.583 0.116 -12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.301 0.456 -12.996 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.676 -0.122 -16.167 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.208 1.499 -16.693 1.00 0.00 H new ATOM 198 N LYS A 13 86.280 -1.294 -10.975 1.00 0.00 N ATOM 199 CA LYS A 13 87.221 -0.868 -9.933 1.00 0.00 C ATOM 200 C LYS A 13 87.255 -1.790 -8.705 1.00 0.00 C ATOM 201 O LYS A 13 88.300 -2.358 -8.389 1.00 0.00 O ATOM 202 CB LYS A 13 86.883 0.560 -9.491 1.00 0.00 C ATOM 203 CG LYS A 13 88.118 1.219 -8.860 1.00 0.00 C ATOM 204 CD LYS A 13 88.997 1.846 -9.953 1.00 0.00 C ATOM 205 CE LYS A 13 88.529 3.275 -10.237 1.00 0.00 C ATOM 206 NZ LYS A 13 88.780 4.126 -9.039 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.302 -1.074 -10.788 1.00 0.00 H new ATOM 0 HA LYS A 13 88.214 -0.917 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.546 1.145 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.063 0.543 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.808 1.984 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.691 0.478 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.040 1.851 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.944 1.248 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.059 3.678 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.467 3.279 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.958 5.105 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.948 4.101 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.609 3.766 -8.525 1.00 0.00 H new ATOM 220 N CYS A 14 86.142 -1.885 -7.978 1.00 0.00 N ATOM 221 CA CYS A 14 86.112 -2.686 -6.744 1.00 0.00 C ATOM 222 C CYS A 14 85.842 -4.175 -6.974 1.00 0.00 C ATOM 223 O CYS A 14 86.381 -5.017 -6.255 1.00 0.00 O ATOM 224 CB CYS A 14 85.061 -2.119 -5.784 1.00 0.00 C ATOM 225 SG CYS A 14 84.996 -0.309 -5.926 1.00 0.00 S ATOM 0 H CYS A 14 85.261 -1.428 -8.212 1.00 0.00 H new ATOM 0 HA CYS A 14 87.111 -2.617 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.083 -2.544 -6.011 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.302 -2.403 -4.760 1.00 0.00 H new ATOM 230 N ALA A 15 85.008 -4.508 -7.945 1.00 0.00 N ATOM 231 CA ALA A 15 84.693 -5.913 -8.198 1.00 0.00 C ATOM 232 C ALA A 15 85.967 -6.753 -8.258 1.00 0.00 C ATOM 233 O ALA A 15 85.945 -7.952 -7.980 1.00 0.00 O ATOM 234 CB ALA A 15 83.927 -6.048 -9.514 1.00 0.00 C ATOM 0 H ALA A 15 84.542 -3.843 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 15 84.074 -6.277 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.696 -7.098 -9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.000 -5.478 -9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.538 -5.665 -10.331 1.00 0.00 H new ATOM 240 N GLN A 16 87.072 -6.118 -8.629 1.00 0.00 N ATOM 241 CA GLN A 16 88.349 -6.816 -8.732 1.00 0.00 C ATOM 242 C GLN A 16 88.599 -7.719 -7.523 1.00 0.00 C ATOM 243 O GLN A 16 88.708 -8.937 -7.665 1.00 0.00 O ATOM 244 CB GLN A 16 89.485 -5.800 -8.853 1.00 0.00 C ATOM 245 CG GLN A 16 89.499 -5.208 -10.264 1.00 0.00 C ATOM 246 CD GLN A 16 90.356 -3.947 -10.293 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.497 -3.960 -9.834 1.00 0.00 O ATOM 248 NE2 GLN A 16 89.869 -2.851 -10.809 1.00 0.00 N ATOM 0 H GLN A 16 87.111 -5.126 -8.863 1.00 0.00 H new ATOM 0 HA GLN A 16 88.314 -7.445 -9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.356 -5.007 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.440 -6.281 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.891 -5.940 -10.970 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.482 -4.974 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 16 88.922 -2.843 -11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 16 90.435 -2.003 -10.832 1.00 0.00 H new ATOM 257 N CYS A 17 88.709 -7.119 -6.336 1.00 0.00 N ATOM 258 CA CYS A 17 88.971 -7.892 -5.116 1.00 0.00 C ATOM 259 C CYS A 17 87.871 -7.681 -4.072 1.00 0.00 C ATOM 260 O CYS A 17 88.159 -7.393 -2.911 1.00 0.00 O ATOM 261 CB CYS A 17 90.332 -7.485 -4.522 1.00 0.00 C ATOM 262 SG CYS A 17 91.326 -6.637 -5.780 1.00 0.00 S ATOM 0 H CYS A 17 88.622 -6.113 -6.192 1.00 0.00 H new ATOM 0 HA CYS A 17 88.986 -8.948 -5.385 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.183 -6.831 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.861 -8.368 -4.163 1.00 0.00 H new ATOM 267 N HIS A 18 86.614 -7.837 -4.480 1.00 0.00 N ATOM 268 CA HIS A 18 85.500 -7.667 -3.546 1.00 0.00 C ATOM 269 C HIS A 18 84.257 -8.410 -4.029 1.00 0.00 C ATOM 270 O HIS A 18 84.288 -9.103 -5.046 1.00 0.00 O ATOM 271 CB HIS A 18 85.169 -6.183 -3.378 1.00 0.00 C ATOM 272 CG HIS A 18 86.167 -5.536 -2.457 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.759 -6.213 -1.398 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.684 -4.270 -2.424 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.591 -5.352 -0.782 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.579 -4.154 -1.370 1.00 0.00 N ATOM 0 H HIS A 18 86.342 -8.077 -5.433 1.00 0.00 H new ATOM 0 HA HIS A 18 85.806 -8.084 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.182 -5.687 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.163 -6.069 -2.975 1.00 0.00 H new ATOM 0 HD1 HIS A 18 86.594 -7.185 -1.135 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.433 -3.479 -3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.193 -5.600 0.080 1.00 0.00 H new ATOM 284 N THR A 19 83.168 -8.263 -3.277 1.00 0.00 N ATOM 285 CA THR A 19 81.911 -8.923 -3.613 1.00 0.00 C ATOM 286 C THR A 19 80.729 -7.979 -3.377 1.00 0.00 C ATOM 287 O THR A 19 79.770 -7.963 -4.148 1.00 0.00 O ATOM 288 CB THR A 19 81.760 -10.179 -2.749 1.00 0.00 C ATOM 289 OG1 THR A 19 83.049 -10.649 -2.380 1.00 0.00 O ATOM 290 CG2 THR A 19 81.034 -11.264 -3.536 1.00 0.00 C ATOM 0 H THR A 19 83.132 -7.693 -2.432 1.00 0.00 H new ATOM 0 HA THR A 19 81.921 -9.200 -4.667 1.00 0.00 H new ATOM 0 HB THR A 19 81.184 -9.937 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.000 -11.085 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.930 -12.155 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.046 -10.905 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.606 -11.509 -4.431 1.00 0.00 H new ATOM 298 N VAL A 20 80.819 -7.195 -2.306 1.00 0.00 N ATOM 299 CA VAL A 20 79.770 -6.238 -1.955 1.00 0.00 C ATOM 300 C VAL A 20 78.375 -6.831 -2.134 1.00 0.00 C ATOM 301 O VAL A 20 77.420 -6.107 -2.415 1.00 0.00 O ATOM 302 CB VAL A 20 79.906 -4.964 -2.797 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.327 -4.411 -2.671 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.619 -5.277 -4.264 1.00 0.00 C ATOM 0 H VAL A 20 81.611 -7.203 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 20 79.896 -5.992 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 20 79.191 -4.225 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.420 -3.506 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.535 -4.177 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.040 -5.155 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.717 -4.367 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.329 -6.022 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.605 -5.665 -4.362 1.00 0.00 H new ATOM 314 N GLU A 21 78.254 -8.145 -1.956 1.00 0.00 N ATOM 315 CA GLU A 21 76.958 -8.808 -2.089 1.00 0.00 C ATOM 316 C GLU A 21 76.659 -9.637 -0.843 1.00 0.00 C ATOM 317 O GLU A 21 77.437 -10.513 -0.465 1.00 0.00 O ATOM 318 CB GLU A 21 76.938 -9.698 -3.339 1.00 0.00 C ATOM 319 CG GLU A 21 77.646 -11.024 -3.055 1.00 0.00 C ATOM 320 CD GLU A 21 77.921 -11.758 -4.362 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.688 -11.174 -5.408 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.362 -12.894 -4.300 1.00 0.00 O ATOM 0 H GLU A 21 79.028 -8.766 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 21 76.186 -8.045 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.909 -9.885 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.428 -9.186 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.582 -10.840 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.029 -11.643 -2.403 1.00 0.00 H new ATOM 329 N LYS A 22 75.532 -9.343 -0.204 1.00 0.00 N ATOM 330 CA LYS A 22 75.139 -10.055 1.007 1.00 0.00 C ATOM 331 C LYS A 22 75.169 -11.566 0.786 1.00 0.00 C ATOM 332 O LYS A 22 74.794 -12.056 -0.280 1.00 0.00 O ATOM 333 CB LYS A 22 73.729 -9.629 1.425 1.00 0.00 C ATOM 334 CG LYS A 22 73.484 -10.007 2.893 1.00 0.00 C ATOM 335 CD LYS A 22 73.925 -8.854 3.802 1.00 0.00 C ATOM 336 CE LYS A 22 74.115 -9.372 5.229 1.00 0.00 C ATOM 337 NZ LYS A 22 75.325 -10.240 5.286 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.877 -8.620 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 22 75.849 -9.805 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.610 -8.554 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.989 -10.113 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.428 -10.225 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.037 -10.912 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.856 -8.422 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.178 -8.060 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 22 74.222 -8.535 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.236 -9.935 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 75.711 -10.234 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 75.067 -11.212 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 76.042 -9.880 4.624 1.00 0.00 H new ATOM 351 N GLY A 23 75.608 -12.296 1.806 1.00 0.00 N ATOM 352 CA GLY A 23 75.677 -13.752 1.726 1.00 0.00 C ATOM 353 C GLY A 23 76.497 -14.207 0.524 1.00 0.00 C ATOM 354 O GLY A 23 76.238 -15.264 -0.049 1.00 0.00 O ATOM 0 H GLY A 23 75.920 -11.906 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 76.120 -14.147 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.669 -14.162 1.657 1.00 0.00 H new ATOM 358 N GLY A 24 77.488 -13.406 0.146 1.00 0.00 N ATOM 359 CA GLY A 24 78.338 -13.746 -0.990 1.00 0.00 C ATOM 360 C GLY A 24 79.526 -14.592 -0.548 1.00 0.00 C ATOM 361 O GLY A 24 79.388 -15.494 0.279 1.00 0.00 O ATOM 0 H GLY A 24 77.721 -12.525 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.756 -14.290 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.694 -12.834 -1.468 1.00 0.00 H new ATOM 365 N LYS A 25 80.694 -14.290 -1.105 1.00 0.00 N ATOM 366 CA LYS A 25 81.908 -15.023 -0.765 1.00 0.00 C ATOM 367 C LYS A 25 83.128 -14.119 -0.907 1.00 0.00 C ATOM 368 O LYS A 25 83.613 -13.881 -2.014 1.00 0.00 O ATOM 369 CB LYS A 25 82.058 -16.244 -1.678 1.00 0.00 C ATOM 370 CG LYS A 25 81.613 -15.884 -3.097 1.00 0.00 C ATOM 371 CD LYS A 25 82.088 -16.965 -4.070 1.00 0.00 C ATOM 372 CE LYS A 25 81.768 -16.539 -5.505 1.00 0.00 C ATOM 373 NZ LYS A 25 82.437 -17.467 -6.459 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.826 -13.546 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 25 81.835 -15.358 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.095 -16.579 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.459 -17.071 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.527 -15.795 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.023 -14.916 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.160 -17.124 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.600 -17.913 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.690 -16.549 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.107 -15.517 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 82.220 -17.178 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 83.466 -17.436 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 82.093 -18.436 -6.300 1.00 0.00 H new ATOM 387 N HIS A 26 83.616 -13.617 0.220 1.00 0.00 N ATOM 388 CA HIS A 26 84.778 -12.737 0.211 1.00 0.00 C ATOM 389 C HIS A 26 85.968 -13.423 -0.454 1.00 0.00 C ATOM 390 O HIS A 26 86.373 -14.515 -0.054 1.00 0.00 O ATOM 391 CB HIS A 26 85.145 -12.339 1.645 1.00 0.00 C ATOM 392 CG HIS A 26 84.836 -13.480 2.576 1.00 0.00 C ATOM 393 ND1 HIS A 26 83.579 -13.660 3.130 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.610 -14.505 3.059 1.00 0.00 C ATOM 395 CE1 HIS A 26 83.633 -14.757 3.908 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.849 -15.311 3.901 1.00 0.00 N ATOM 0 H HIS A 26 83.229 -13.802 1.145 1.00 0.00 H new ATOM 0 HA HIS A 26 84.528 -11.842 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.203 -12.084 1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.586 -11.452 1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 26 86.652 -14.663 2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 26 82.795 -15.143 4.470 1.00 0.00 H new ATOM 0 HE2 HIS A 26 85.154 -16.144 4.404 1.00 0.00 H new ATOM 405 N LYS A 27 86.524 -12.770 -1.469 1.00 0.00 N ATOM 406 CA LYS A 27 87.673 -13.314 -2.188 1.00 0.00 C ATOM 407 C LYS A 27 88.725 -12.228 -2.389 1.00 0.00 C ATOM 408 O LYS A 27 88.397 -11.092 -2.732 1.00 0.00 O ATOM 409 CB LYS A 27 87.231 -13.862 -3.547 1.00 0.00 C ATOM 410 CG LYS A 27 86.303 -12.854 -4.227 1.00 0.00 C ATOM 411 CD LYS A 27 85.974 -13.339 -5.641 1.00 0.00 C ATOM 412 CE LYS A 27 84.793 -12.539 -6.193 1.00 0.00 C ATOM 413 NZ LYS A 27 85.112 -11.084 -6.142 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.200 -11.866 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 27 88.103 -14.124 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 88.102 -14.052 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.718 -14.815 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.387 -12.738 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 27 86.780 -11.875 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.842 -13.220 -6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.732 -14.402 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.583 -12.841 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 27 83.895 -12.746 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.870 -10.643 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.562 -10.634 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.127 -10.958 -5.955 1.00 0.00 H new ATOM 427 N THR A 28 89.987 -12.578 -2.163 1.00 0.00 N ATOM 428 CA THR A 28 91.071 -11.614 -2.312 1.00 0.00 C ATOM 429 C THR A 28 90.691 -10.296 -1.643 1.00 0.00 C ATOM 430 O THR A 28 91.163 -9.227 -2.028 1.00 0.00 O ATOM 431 CB THR A 28 91.365 -11.378 -3.796 1.00 0.00 C ATOM 432 OG1 THR A 28 91.273 -12.612 -4.495 1.00 0.00 O ATOM 433 CG2 THR A 28 92.775 -10.803 -3.960 1.00 0.00 C ATOM 0 H THR A 28 90.282 -13.512 -1.879 1.00 0.00 H new ATOM 0 HA THR A 28 91.965 -12.013 -1.833 1.00 0.00 H new ATOM 0 HB THR A 28 90.640 -10.672 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.459 -12.464 -5.446 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.979 -10.637 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.847 -9.857 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.504 -11.506 -3.556 1.00 0.00 H new ATOM 441 N GLY A 29 89.831 -10.390 -0.636 1.00 0.00 N ATOM 442 CA GLY A 29 89.382 -9.210 0.094 1.00 0.00 C ATOM 443 C GLY A 29 88.059 -9.493 0.804 1.00 0.00 C ATOM 444 O GLY A 29 87.270 -10.323 0.350 1.00 0.00 O ATOM 0 H GLY A 29 89.431 -11.269 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.137 -8.916 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.261 -8.373 -0.594 1.00 0.00 H new ATOM 448 N PRO A 30 87.802 -8.825 1.898 1.00 0.00 N ATOM 449 CA PRO A 30 86.543 -9.015 2.680 1.00 0.00 C ATOM 450 C PRO A 30 85.329 -8.416 1.972 1.00 0.00 C ATOM 451 O PRO A 30 85.462 -7.738 0.953 1.00 0.00 O ATOM 452 CB PRO A 30 86.825 -8.285 3.997 1.00 0.00 C ATOM 453 CG PRO A 30 87.836 -7.241 3.654 1.00 0.00 C ATOM 454 CD PRO A 30 88.680 -7.815 2.516 1.00 0.00 C ATOM 0 HA PRO A 30 86.298 -10.068 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.917 -7.837 4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.207 -8.970 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.349 -6.315 3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.458 -7.004 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.965 -7.043 1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.602 -8.261 2.888 1.00 0.00 H new ATOM 462 N ASN A 31 84.146 -8.669 2.526 1.00 0.00 N ATOM 463 CA ASN A 31 82.912 -8.147 1.949 1.00 0.00 C ATOM 464 C ASN A 31 82.584 -6.794 2.568 1.00 0.00 C ATOM 465 O ASN A 31 83.093 -6.455 3.634 1.00 0.00 O ATOM 466 CB ASN A 31 81.761 -9.125 2.209 1.00 0.00 C ATOM 467 CG ASN A 31 81.297 -9.022 3.659 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.761 -7.993 4.069 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.474 -10.034 4.464 1.00 0.00 N ATOM 0 H ASN A 31 84.017 -9.229 3.369 1.00 0.00 H new ATOM 0 HA ASN A 31 83.045 -8.028 0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.930 -8.907 1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.085 -10.144 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.168 -9.973 5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 31 81.918 -10.886 4.122 1.00 0.00 H new ATOM 476 N LEU A 32 81.733 -6.023 1.897 1.00 0.00 N ATOM 477 CA LEU A 32 81.345 -4.706 2.401 1.00 0.00 C ATOM 478 C LEU A 32 79.866 -4.697 2.784 1.00 0.00 C ATOM 479 O LEU A 32 79.163 -3.713 2.554 1.00 0.00 O ATOM 480 CB LEU A 32 81.595 -3.623 1.341 1.00 0.00 C ATOM 481 CG LEU A 32 83.022 -3.724 0.779 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.335 -2.462 -0.034 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.036 -3.844 1.919 1.00 0.00 C ATOM 0 H LEU A 32 81.301 -6.283 1.010 1.00 0.00 H new ATOM 0 HA LEU A 32 81.951 -4.493 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.873 -3.728 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.442 -2.637 1.780 1.00 0.00 H new ATOM 0 HG LEU A 32 83.089 -4.608 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.346 -2.529 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.624 -2.373 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.257 -1.586 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.042 -3.915 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.968 -2.965 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.821 -4.738 2.505 1.00 0.00 H new ATOM 495 N HIS A 33 79.400 -5.796 3.371 1.00 0.00 N ATOM 496 CA HIS A 33 78.002 -5.898 3.782 1.00 0.00 C ATOM 497 C HIS A 33 77.695 -4.886 4.881 1.00 0.00 C ATOM 498 O HIS A 33 78.542 -4.612 5.731 1.00 0.00 O ATOM 499 CB HIS A 33 77.708 -7.308 4.296 1.00 0.00 C ATOM 500 CG HIS A 33 78.122 -8.321 3.265 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.628 -9.564 3.613 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.110 -8.291 1.892 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.898 -10.226 2.473 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.600 -9.495 1.395 1.00 0.00 N ATOM 0 H HIS A 33 79.964 -6.622 3.572 1.00 0.00 H new ATOM 0 HA HIS A 33 77.373 -5.688 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.244 -7.484 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.645 -7.411 4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.772 -7.460 1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.306 -11.225 2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.708 -9.762 0.417 1.00 0.00 H new ATOM 513 N GLY A 34 76.481 -4.334 4.859 1.00 0.00 N ATOM 514 CA GLY A 34 76.077 -3.350 5.864 1.00 0.00 C ATOM 515 C GLY A 34 77.262 -2.484 6.277 1.00 0.00 C ATOM 516 O GLY A 34 77.354 -2.032 7.418 1.00 0.00 O ATOM 0 H GLY A 34 75.767 -4.549 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.282 -2.720 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.671 -3.860 6.737 1.00 0.00 H new ATOM 520 N LEU A 35 78.170 -2.275 5.334 1.00 0.00 N ATOM 521 CA LEU A 35 79.366 -1.480 5.580 1.00 0.00 C ATOM 522 C LEU A 35 79.022 -0.165 6.281 1.00 0.00 C ATOM 523 O LEU A 35 79.533 0.134 7.359 1.00 0.00 O ATOM 524 CB LEU A 35 80.045 -1.188 4.234 1.00 0.00 C ATOM 525 CG LEU A 35 81.265 -0.273 4.429 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.507 -1.121 4.706 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.495 0.555 3.158 1.00 0.00 C ATOM 0 H LEU A 35 78.101 -2.647 4.387 1.00 0.00 H new ATOM 0 HA LEU A 35 80.036 -2.040 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.356 -2.123 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.334 -0.715 3.557 1.00 0.00 H new ATOM 0 HG LEU A 35 81.081 0.392 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.370 -0.469 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.351 -1.711 5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.687 -1.788 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.360 1.203 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.674 -0.113 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.614 1.164 2.956 1.00 0.00 H new ATOM 539 N PHE A 36 78.166 0.621 5.652 1.00 0.00 N ATOM 540 CA PHE A 36 77.773 1.912 6.205 1.00 0.00 C ATOM 541 C PHE A 36 77.210 1.771 7.619 1.00 0.00 C ATOM 542 O PHE A 36 76.010 1.556 7.796 1.00 0.00 O ATOM 543 CB PHE A 36 76.731 2.568 5.293 1.00 0.00 C ATOM 544 CG PHE A 36 77.204 2.504 3.856 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.049 1.323 3.118 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.806 3.623 3.265 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.497 1.260 1.794 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.254 3.558 1.942 1.00 0.00 C ATOM 549 CZ PHE A 36 78.102 2.377 1.207 1.00 0.00 C ATOM 0 H PHE A 36 77.729 0.392 4.760 1.00 0.00 H new ATOM 0 HA PHE A 36 78.663 2.539 6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.772 2.059 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.574 3.605 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.583 0.461 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.924 4.535 3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.376 0.350 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.718 4.421 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.452 2.328 0.186 1.00 0.00 H new ATOM 559 N GLY A 37 78.077 1.917 8.627 1.00 0.00 N ATOM 560 CA GLY A 37 77.633 1.825 10.019 1.00 0.00 C ATOM 561 C GLY A 37 78.599 1.028 10.898 1.00 0.00 C ATOM 562 O GLY A 37 78.634 1.217 12.113 1.00 0.00 O ATOM 0 H GLY A 37 79.074 2.096 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.522 2.830 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.649 1.357 10.052 1.00 0.00 H new ATOM 566 N ARG A 38 79.367 0.125 10.294 1.00 0.00 N ATOM 567 CA ARG A 38 80.304 -0.700 11.063 1.00 0.00 C ATOM 568 C ARG A 38 81.679 -0.036 11.174 1.00 0.00 C ATOM 569 O ARG A 38 82.152 0.605 10.236 1.00 0.00 O ATOM 570 CB ARG A 38 80.458 -2.072 10.394 1.00 0.00 C ATOM 571 CG ARG A 38 79.495 -3.093 11.018 1.00 0.00 C ATOM 572 CD ARG A 38 79.892 -4.513 10.586 1.00 0.00 C ATOM 573 NE ARG A 38 79.080 -4.941 9.451 1.00 0.00 N ATOM 574 CZ ARG A 38 79.553 -5.784 8.532 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.769 -6.252 8.626 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.794 -6.146 7.533 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.363 -0.055 9.290 1.00 0.00 H new ATOM 0 HA ARG A 38 79.897 -0.815 12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.261 -1.985 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.485 -2.421 10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.520 -3.013 12.105 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.472 -2.880 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 38 80.948 -4.537 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.760 -5.204 11.418 1.00 0.00 H new ATOM 0 HE ARG A 38 78.128 -4.587 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.364 -5.973 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.124 -6.896 7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.843 -5.784 7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.152 -6.790 6.828 1.00 0.00 H new ATOM 590 N LYS A 39 82.317 -0.214 12.333 1.00 0.00 N ATOM 591 CA LYS A 39 83.643 0.352 12.576 1.00 0.00 C ATOM 592 C LYS A 39 84.674 -0.257 11.625 1.00 0.00 C ATOM 593 O LYS A 39 84.375 -1.206 10.899 1.00 0.00 O ATOM 594 CB LYS A 39 84.064 0.081 14.028 1.00 0.00 C ATOM 595 CG LYS A 39 83.518 1.181 14.951 1.00 0.00 C ATOM 596 CD LYS A 39 84.540 2.320 15.074 1.00 0.00 C ATOM 597 CE LYS A 39 84.074 3.311 16.142 1.00 0.00 C ATOM 598 NZ LYS A 39 82.893 4.067 15.638 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.936 -0.745 13.116 1.00 0.00 H new ATOM 0 HA LYS A 39 83.597 1.427 12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.690 -0.892 14.348 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.151 0.043 14.098 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.578 1.566 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.303 0.767 15.936 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.518 1.918 15.338 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.652 2.828 14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.815 2.780 17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.881 4.000 16.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.041 5.085 15.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.772 3.885 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.041 3.760 16.148 1.00 0.00 H new ATOM 612 N THR A 40 85.888 0.293 11.634 1.00 0.00 N ATOM 613 CA THR A 40 86.951 -0.206 10.767 1.00 0.00 C ATOM 614 C THR A 40 87.424 -1.584 11.221 1.00 0.00 C ATOM 615 O THR A 40 87.436 -1.887 12.415 1.00 0.00 O ATOM 616 CB THR A 40 88.134 0.766 10.769 1.00 0.00 C ATOM 617 OG1 THR A 40 88.432 1.149 12.103 1.00 0.00 O ATOM 618 CG2 THR A 40 87.777 2.006 9.949 1.00 0.00 C ATOM 0 H THR A 40 86.157 1.078 12.227 1.00 0.00 H new ATOM 0 HA THR A 40 86.550 -0.289 9.757 1.00 0.00 H new ATOM 0 HB THR A 40 89.004 0.279 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.035 0.490 12.506 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.619 2.698 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.551 1.712 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.906 2.494 10.387 1.00 0.00 H new ATOM 626 N GLY A 41 87.817 -2.411 10.258 1.00 0.00 N ATOM 627 CA GLY A 41 88.297 -3.754 10.562 1.00 0.00 C ATOM 628 C GLY A 41 87.357 -4.473 11.519 1.00 0.00 C ATOM 629 O GLY A 41 87.787 -5.013 12.537 1.00 0.00 O ATOM 0 H GLY A 41 87.813 -2.177 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.389 -4.327 9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.293 -3.696 11.002 1.00 0.00 H new ATOM 633 N GLN A 42 86.073 -4.478 11.185 1.00 0.00 N ATOM 634 CA GLN A 42 85.078 -5.139 12.026 1.00 0.00 C ATOM 635 C GLN A 42 84.633 -6.449 11.391 1.00 0.00 C ATOM 636 O GLN A 42 84.086 -7.323 12.065 1.00 0.00 O ATOM 637 CB GLN A 42 83.866 -4.229 12.227 1.00 0.00 C ATOM 638 CG GLN A 42 82.968 -4.818 13.317 1.00 0.00 C ATOM 639 CD GLN A 42 81.808 -3.874 13.611 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.719 -2.743 12.969 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 80.959 -4.177 14.449 1.00 0.00 N flip ATOM 0 H GLN A 42 85.696 -4.037 10.346 1.00 0.00 H new ATOM 0 HA GLN A 42 85.532 -5.349 12.994 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.191 -3.228 12.509 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.310 -4.133 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.585 -5.788 12.998 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.548 -4.987 14.224 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.030 -5.062 14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.184 -3.543 14.642 1.00 0.00 H new ATOM 650 N ALA A 43 84.873 -6.583 10.092 1.00 0.00 N ATOM 651 CA ALA A 43 84.494 -7.794 9.379 1.00 0.00 C ATOM 652 C ALA A 43 85.553 -8.881 9.588 1.00 0.00 C ATOM 653 O ALA A 43 86.747 -8.613 9.465 1.00 0.00 O ATOM 654 CB ALA A 43 84.357 -7.486 7.887 1.00 0.00 C ATOM 0 H ALA A 43 85.325 -5.873 9.516 1.00 0.00 H new ATOM 0 HA ALA A 43 83.540 -8.152 9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 84.073 -8.393 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.591 -6.724 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.309 -7.121 7.502 1.00 0.00 H new ATOM 660 N PRO A 44 85.151 -10.090 9.896 1.00 0.00 N ATOM 661 CA PRO A 44 86.107 -11.214 10.115 1.00 0.00 C ATOM 662 C PRO A 44 86.675 -11.736 8.795 1.00 0.00 C ATOM 663 O PRO A 44 87.574 -11.127 8.219 1.00 0.00 O ATOM 664 CB PRO A 44 85.253 -12.268 10.825 1.00 0.00 C ATOM 665 CG PRO A 44 83.867 -12.036 10.321 1.00 0.00 C ATOM 666 CD PRO A 44 83.752 -10.529 10.068 1.00 0.00 C ATOM 0 HA PRO A 44 86.983 -10.921 10.694 1.00 0.00 H new ATOM 0 HB2 PRO A 44 85.595 -13.277 10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 44 85.304 -12.155 11.908 1.00 0.00 H new ATOM 0 HG2 PRO A 44 83.686 -12.600 9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 44 83.127 -12.366 11.050 1.00 0.00 H new ATOM 0 HD2 PRO A 44 83.155 -10.317 9.181 1.00 0.00 H new ATOM 0 HD3 PRO A 44 83.273 -10.019 10.904 1.00 0.00 H new ATOM 674 N GLY A 45 86.137 -12.857 8.316 1.00 0.00 N ATOM 675 CA GLY A 45 86.588 -13.449 7.058 1.00 0.00 C ATOM 676 C GLY A 45 88.068 -13.173 6.799 1.00 0.00 C ATOM 677 O GLY A 45 88.932 -13.969 7.167 1.00 0.00 O ATOM 0 H GLY A 45 85.389 -13.373 8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.418 -14.525 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.995 -13.050 6.235 1.00 0.00 H new ATOM 681 N PHE A 46 88.347 -12.045 6.154 1.00 0.00 N ATOM 682 CA PHE A 46 89.722 -11.670 5.836 1.00 0.00 C ATOM 683 C PHE A 46 90.465 -11.199 7.083 1.00 0.00 C ATOM 684 O PHE A 46 89.856 -10.729 8.044 1.00 0.00 O ATOM 685 CB PHE A 46 89.723 -10.555 4.789 1.00 0.00 C ATOM 686 CG PHE A 46 91.098 -10.440 4.176 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.481 -11.309 3.148 1.00 0.00 C ATOM 688 CD2 PHE A 46 91.990 -9.465 4.638 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.756 -11.204 2.581 1.00 0.00 C ATOM 690 CE2 PHE A 46 93.266 -9.359 4.070 1.00 0.00 C ATOM 691 CZ PHE A 46 93.649 -10.228 3.042 1.00 0.00 C ATOM 0 H PHE A 46 87.643 -11.376 5.842 1.00 0.00 H new ATOM 0 HA PHE A 46 90.233 -12.548 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.985 -10.768 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.438 -9.609 5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.792 -12.061 2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 46 91.695 -8.795 5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 46 93.052 -11.875 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 46 93.954 -8.607 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.633 -10.146 2.604 1.00 0.00 H new ATOM 701 N THR A 47 91.790 -11.325 7.058 1.00 0.00 N ATOM 702 CA THR A 47 92.614 -10.907 8.187 1.00 0.00 C ATOM 703 C THR A 47 92.885 -9.409 8.124 1.00 0.00 C ATOM 704 O THR A 47 93.882 -8.970 7.550 1.00 0.00 O ATOM 705 CB THR A 47 93.940 -11.668 8.177 1.00 0.00 C ATOM 706 OG1 THR A 47 93.689 -13.050 7.962 1.00 0.00 O ATOM 707 CG2 THR A 47 94.650 -11.477 9.517 1.00 0.00 C ATOM 0 H THR A 47 92.313 -11.711 6.272 1.00 0.00 H new ATOM 0 HA THR A 47 92.076 -11.130 9.108 1.00 0.00 H new ATOM 0 HB THR A 47 94.574 -11.285 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.538 -13.539 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.595 -12.020 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.842 -10.416 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.020 -11.858 10.320 1.00 0.00 H new ATOM 715 N TYR A 48 91.989 -8.629 8.716 1.00 0.00 N ATOM 716 CA TYR A 48 92.133 -7.177 8.721 1.00 0.00 C ATOM 717 C TYR A 48 93.435 -6.763 9.397 1.00 0.00 C ATOM 718 O TYR A 48 93.959 -7.474 10.255 1.00 0.00 O ATOM 719 CB TYR A 48 90.948 -6.542 9.457 1.00 0.00 C ATOM 720 CG TYR A 48 89.811 -6.332 8.491 1.00 0.00 C ATOM 721 CD1 TYR A 48 88.862 -7.340 8.293 1.00 0.00 C ATOM 722 CD2 TYR A 48 89.705 -5.123 7.798 1.00 0.00 C ATOM 723 CE1 TYR A 48 87.805 -7.136 7.399 1.00 0.00 C ATOM 724 CE2 TYR A 48 88.651 -4.918 6.909 1.00 0.00 C ATOM 725 CZ TYR A 48 87.698 -5.924 6.708 1.00 0.00 C ATOM 726 OH TYR A 48 86.655 -5.715 5.833 1.00 0.00 O ATOM 0 H TYR A 48 91.158 -8.974 9.197 1.00 0.00 H new ATOM 0 HA TYR A 48 92.153 -6.830 7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.629 -7.185 10.277 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.247 -5.590 9.896 1.00 0.00 H new ATOM 0 HD1 TYR A 48 88.945 -8.274 8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 48 90.440 -4.347 7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 48 87.072 -7.914 7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 48 88.569 -3.983 6.375 1.00 0.00 H new ATOM 0 HH TYR A 48 85.986 -5.135 6.254 1.00 0.00 H new ATOM 736 N THR A 49 93.947 -5.600 9.004 1.00 0.00 N ATOM 737 CA THR A 49 95.185 -5.087 9.578 1.00 0.00 C ATOM 738 C THR A 49 94.895 -4.328 10.869 1.00 0.00 C ATOM 739 O THR A 49 93.812 -3.768 11.040 1.00 0.00 O ATOM 740 CB THR A 49 95.879 -4.156 8.581 1.00 0.00 C ATOM 741 OG1 THR A 49 95.095 -2.983 8.410 1.00 0.00 O ATOM 742 CG2 THR A 49 96.037 -4.869 7.238 1.00 0.00 C ATOM 0 H THR A 49 93.526 -4.999 8.295 1.00 0.00 H new ATOM 0 HA THR A 49 95.840 -5.930 9.800 1.00 0.00 H new ATOM 0 HB THR A 49 96.864 -3.884 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 49 94.247 -3.216 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.531 -4.205 6.529 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.638 -5.768 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.054 -5.143 6.854 1.00 0.00 H new ATOM 750 N ASP A 50 95.866 -4.313 11.776 1.00 0.00 N ATOM 751 CA ASP A 50 95.697 -3.619 13.047 1.00 0.00 C ATOM 752 C ASP A 50 95.168 -2.206 12.821 1.00 0.00 C ATOM 753 O ASP A 50 94.323 -1.722 13.574 1.00 0.00 O ATOM 754 CB ASP A 50 97.032 -3.554 13.791 1.00 0.00 C ATOM 755 CG ASP A 50 97.659 -4.942 13.860 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.099 -5.853 13.273 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 98.690 -5.074 14.499 1.00 0.00 O ATOM 0 H ASP A 50 96.770 -4.769 11.656 1.00 0.00 H new ATOM 0 HA ASP A 50 94.975 -4.173 13.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.708 -2.866 13.283 1.00 0.00 H new ATOM 0 HB3 ASP A 50 96.878 -3.165 14.798 1.00 0.00 H new ATOM 762 N ALA A 51 95.670 -1.550 11.780 1.00 0.00 N ATOM 763 CA ALA A 51 95.237 -0.194 11.467 1.00 0.00 C ATOM 764 C ALA A 51 93.719 -0.132 11.346 1.00 0.00 C ATOM 765 O ALA A 51 93.086 0.799 11.838 1.00 0.00 O ATOM 766 CB ALA A 51 95.879 0.270 10.160 1.00 0.00 C ATOM 0 H ALA A 51 96.371 -1.931 11.144 1.00 0.00 H new ATOM 0 HA ALA A 51 95.551 0.465 12.277 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.550 1.284 9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.964 0.254 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.581 -0.397 9.351 1.00 0.00 H new ATOM 772 N ASN A 52 93.138 -1.135 10.695 1.00 0.00 N ATOM 773 CA ASN A 52 91.689 -1.185 10.528 1.00 0.00 C ATOM 774 C ASN A 52 91.036 -1.726 11.796 1.00 0.00 C ATOM 775 O ASN A 52 89.880 -1.424 12.091 1.00 0.00 O ATOM 776 CB ASN A 52 91.329 -2.079 9.335 1.00 0.00 C ATOM 777 CG ASN A 52 91.371 -1.275 8.041 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.068 -0.265 7.956 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.658 -1.668 7.021 1.00 0.00 N ATOM 0 H ASN A 52 93.642 -1.917 10.278 1.00 0.00 H new ATOM 0 HA ASN A 52 91.321 -0.176 10.341 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.026 -2.915 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.335 -2.503 9.476 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.678 -1.137 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.081 -2.506 7.095 1.00 0.00 H new ATOM 786 N LYS A 53 91.793 -2.518 12.547 1.00 0.00 N ATOM 787 CA LYS A 53 91.292 -3.091 13.790 1.00 0.00 C ATOM 788 C LYS A 53 91.455 -2.075 14.914 1.00 0.00 C ATOM 789 O LYS A 53 90.921 -2.244 16.010 1.00 0.00 O ATOM 790 CB LYS A 53 92.051 -4.399 14.101 1.00 0.00 C ATOM 791 CG LYS A 53 92.862 -4.277 15.402 1.00 0.00 C ATOM 792 CD LYS A 53 93.672 -5.562 15.630 1.00 0.00 C ATOM 793 CE LYS A 53 92.824 -6.582 16.395 1.00 0.00 C ATOM 794 NZ LYS A 53 92.701 -6.160 17.818 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.753 -2.777 12.318 1.00 0.00 H new ATOM 0 HA LYS A 53 90.233 -3.330 13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.342 -5.222 14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.719 -4.640 13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.532 -3.419 15.345 1.00 0.00 H new ATOM 0 HG3 LYS A 53 92.192 -4.104 16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.985 -5.980 14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.579 -5.336 16.191 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.836 -6.662 15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.283 -7.569 16.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.468 -6.986 18.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.602 -5.750 18.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 91.947 -5.449 17.905 1.00 0.00 H new ATOM 808 N ASN A 54 92.196 -1.014 14.620 1.00 0.00 N ATOM 809 CA ASN A 54 92.433 0.037 15.596 1.00 0.00 C ATOM 810 C ASN A 54 91.130 0.744 15.935 1.00 0.00 C ATOM 811 O ASN A 54 91.014 1.410 16.963 1.00 0.00 O ATOM 812 CB ASN A 54 93.433 1.043 15.023 1.00 0.00 C ATOM 813 CG ASN A 54 92.714 2.125 14.220 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.710 1.799 13.452 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 93.078 3.299 14.295 1.00 0.00 N flip ATOM 0 H ASN A 54 92.641 -0.860 13.715 1.00 0.00 H new ATOM 0 HA ASN A 54 92.838 -0.405 16.506 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.000 1.501 15.834 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.150 0.527 14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.863 3.552 14.896 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.595 4.018 13.757 1.00 0.00 H new ATOM 822 N LYS A 55 90.155 0.583 15.056 1.00 0.00 N ATOM 823 CA LYS A 55 88.847 1.201 15.252 1.00 0.00 C ATOM 824 C LYS A 55 88.989 2.706 15.449 1.00 0.00 C ATOM 825 O LYS A 55 88.679 3.233 16.517 1.00 0.00 O ATOM 826 CB LYS A 55 88.159 0.592 16.475 1.00 0.00 C ATOM 827 CG LYS A 55 87.783 -0.861 16.180 1.00 0.00 C ATOM 828 CD LYS A 55 86.941 -1.412 17.333 1.00 0.00 C ATOM 829 CE LYS A 55 86.457 -2.822 16.988 1.00 0.00 C ATOM 830 NZ LYS A 55 87.580 -3.787 17.151 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.240 0.032 14.202 1.00 0.00 H new ATOM 0 HA LYS A 55 88.244 1.016 14.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.822 0.639 17.339 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.267 1.166 16.726 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.224 -0.921 15.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.683 -1.462 16.052 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.531 -1.433 18.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.088 -0.759 17.518 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.626 -3.102 17.636 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.085 -2.850 15.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 87.238 -4.752 16.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 88.339 -3.553 16.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.948 -3.731 18.122 1.00 0.00 H new ATOM 844 N GLY A 56 89.466 3.394 14.416 1.00 0.00 N ATOM 845 CA GLY A 56 89.650 4.840 14.493 1.00 0.00 C ATOM 846 C GLY A 56 88.385 5.582 14.074 1.00 0.00 C ATOM 847 O GLY A 56 88.020 6.592 14.674 1.00 0.00 O ATOM 0 H GLY A 56 89.730 2.978 13.523 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.919 5.121 15.511 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.479 5.138 13.851 1.00 0.00 H new ATOM 851 N ILE A 57 87.719 5.074 13.042 1.00 0.00 N ATOM 852 CA ILE A 57 86.492 5.696 12.552 1.00 0.00 C ATOM 853 C ILE A 57 85.504 4.632 12.098 1.00 0.00 C ATOM 854 O ILE A 57 85.778 3.436 12.196 1.00 0.00 O ATOM 855 CB ILE A 57 86.810 6.644 11.390 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.369 5.845 10.199 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.850 7.669 11.848 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.227 5.349 9.299 1.00 0.00 C ATOM 0 H ILE A 57 88.005 4.239 12.531 1.00 0.00 H new ATOM 0 HA ILE A 57 86.043 6.267 13.365 1.00 0.00 H new ATOM 0 HB ILE A 57 85.898 7.155 11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.049 6.471 9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.948 4.996 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.080 8.346 11.025 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.453 8.240 12.688 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.758 7.152 12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.641 4.786 8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.563 4.705 9.876 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.666 6.203 8.919 1.00 0.00 H new ATOM 870 N THR A 58 84.349 5.072 11.602 1.00 0.00 N ATOM 871 CA THR A 58 83.321 4.145 11.140 1.00 0.00 C ATOM 872 C THR A 58 82.982 4.390 9.675 1.00 0.00 C ATOM 873 O THR A 58 82.904 5.534 9.228 1.00 0.00 O ATOM 874 CB THR A 58 82.057 4.306 11.991 1.00 0.00 C ATOM 875 OG1 THR A 58 82.313 3.838 13.307 1.00 0.00 O ATOM 876 CG2 THR A 58 80.912 3.500 11.374 1.00 0.00 C ATOM 0 H THR A 58 84.104 6.058 11.511 1.00 0.00 H new ATOM 0 HA THR A 58 83.707 3.131 11.241 1.00 0.00 H new ATOM 0 HB THR A 58 81.776 5.359 12.026 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.596 3.230 13.583 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.015 3.617 11.982 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.715 3.861 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.189 2.446 11.335 1.00 0.00 H new ATOM 884 N TRP A 59 82.768 3.305 8.936 1.00 0.00 N ATOM 885 CA TRP A 59 82.423 3.420 7.527 1.00 0.00 C ATOM 886 C TRP A 59 81.092 4.149 7.379 1.00 0.00 C ATOM 887 O TRP A 59 80.151 3.905 8.134 1.00 0.00 O ATOM 888 CB TRP A 59 82.314 2.036 6.879 1.00 0.00 C ATOM 889 CG TRP A 59 83.441 1.154 7.325 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.738 1.528 7.414 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.393 -0.247 7.733 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.487 0.445 7.844 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.701 -0.667 8.062 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.352 -1.184 7.850 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.964 -1.969 8.493 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.616 -2.495 8.280 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.918 -2.885 8.603 1.00 0.00 C ATOM 0 H TRP A 59 82.827 2.349 9.286 1.00 0.00 H new ATOM 0 HA TRP A 59 83.212 3.982 7.027 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.361 1.579 7.144 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.330 2.134 5.794 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.126 2.510 7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.497 0.467 7.983 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.340 -0.894 7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.973 -2.265 8.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.807 -3.206 8.361 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.114 -3.893 8.937 1.00 0.00 H new ATOM 908 N LYS A 60 81.021 5.042 6.402 1.00 0.00 N ATOM 909 CA LYS A 60 79.805 5.808 6.156 1.00 0.00 C ATOM 910 C LYS A 60 79.787 6.282 4.708 1.00 0.00 C ATOM 911 O LYS A 60 80.530 5.766 3.877 1.00 0.00 O ATOM 912 CB LYS A 60 79.743 7.011 7.103 1.00 0.00 C ATOM 913 CG LYS A 60 79.528 6.525 8.541 1.00 0.00 C ATOM 914 CD LYS A 60 79.095 7.698 9.426 1.00 0.00 C ATOM 915 CE LYS A 60 80.299 8.599 9.712 1.00 0.00 C ATOM 916 NZ LYS A 60 79.919 9.633 10.716 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.790 5.255 5.767 1.00 0.00 H new ATOM 0 HA LYS A 60 78.937 5.174 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.667 7.586 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.932 7.677 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.769 5.743 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.448 6.086 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.310 8.270 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.677 7.326 10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.132 8.003 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.636 9.077 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.737 10.245 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.137 10.208 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.618 9.168 11.596 1.00 0.00 H new ATOM 930 N GLU A 61 78.944 7.263 4.404 1.00 0.00 N ATOM 931 CA GLU A 61 78.868 7.777 3.044 1.00 0.00 C ATOM 932 C GLU A 61 80.063 8.679 2.750 1.00 0.00 C ATOM 933 O GLU A 61 80.834 8.423 1.826 1.00 0.00 O ATOM 934 CB GLU A 61 77.570 8.563 2.852 1.00 0.00 C ATOM 935 CG GLU A 61 77.469 9.035 1.400 1.00 0.00 C ATOM 936 CD GLU A 61 76.081 9.603 1.131 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.131 8.837 1.163 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 75.985 10.797 0.897 1.00 0.00 O ATOM 0 H GLU A 61 78.314 7.711 5.069 1.00 0.00 H new ATOM 0 HA GLU A 61 78.883 6.934 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.713 7.938 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.548 9.419 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.226 9.794 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.668 8.203 0.724 1.00 0.00 H new ATOM 945 N GLU A 62 80.214 9.731 3.548 1.00 0.00 N ATOM 946 CA GLU A 62 81.322 10.663 3.363 1.00 0.00 C ATOM 947 C GLU A 62 82.651 10.001 3.708 1.00 0.00 C ATOM 948 O GLU A 62 83.635 10.150 2.984 1.00 0.00 O ATOM 949 CB GLU A 62 81.119 11.898 4.245 1.00 0.00 C ATOM 950 CG GLU A 62 79.732 12.489 3.987 1.00 0.00 C ATOM 951 CD GLU A 62 79.593 12.876 2.518 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.550 13.399 1.971 1.00 0.00 O ATOM 953 OE2 GLU A 62 78.533 12.641 1.962 1.00 0.00 O1- ATOM 0 H GLU A 62 79.590 9.959 4.322 1.00 0.00 H new ATOM 0 HA GLU A 62 81.344 10.963 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.221 11.628 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.888 12.641 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 78.963 11.764 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.578 13.364 4.618 1.00 0.00 H new ATOM 960 N THR A 63 82.677 9.267 4.813 1.00 0.00 N ATOM 961 CA THR A 63 83.898 8.589 5.227 1.00 0.00 C ATOM 962 C THR A 63 84.440 7.757 4.077 1.00 0.00 C ATOM 963 O THR A 63 85.651 7.668 3.875 1.00 0.00 O ATOM 964 CB THR A 63 83.617 7.679 6.421 1.00 0.00 C ATOM 965 OG1 THR A 63 82.648 6.711 6.056 1.00 0.00 O ATOM 966 CG2 THR A 63 83.095 8.513 7.586 1.00 0.00 C ATOM 0 H THR A 63 81.878 9.127 5.431 1.00 0.00 H new ATOM 0 HA THR A 63 84.635 9.339 5.514 1.00 0.00 H new ATOM 0 HB THR A 63 84.537 7.177 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.163 7.017 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.895 7.863 8.438 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.842 9.256 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.175 9.017 7.289 1.00 0.00 H new ATOM 974 N LEU A 64 83.531 7.150 3.323 1.00 0.00 N ATOM 975 CA LEU A 64 83.929 6.330 2.190 1.00 0.00 C ATOM 976 C LEU A 64 84.495 7.211 1.079 1.00 0.00 C ATOM 977 O LEU A 64 85.398 6.799 0.355 1.00 0.00 O ATOM 978 CB LEU A 64 82.730 5.538 1.655 1.00 0.00 C ATOM 979 CG LEU A 64 82.833 4.059 2.063 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.492 3.365 1.797 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.939 3.369 1.247 1.00 0.00 C ATOM 0 H LEU A 64 82.524 7.210 3.475 1.00 0.00 H new ATOM 0 HA LEU A 64 84.696 5.631 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.804 5.964 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.689 5.619 0.569 1.00 0.00 H new ATOM 0 HG LEU A 64 83.076 3.993 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.562 2.316 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.709 3.850 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.250 3.435 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.008 2.321 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.702 3.434 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.892 3.862 1.437 1.00 0.00 H new ATOM 993 N MET A 65 83.949 8.421 0.942 1.00 0.00 N ATOM 994 CA MET A 65 84.412 9.337 -0.099 1.00 0.00 C ATOM 995 C MET A 65 85.881 9.688 0.093 1.00 0.00 C ATOM 996 O MET A 65 86.701 9.463 -0.797 1.00 0.00 O ATOM 997 CB MET A 65 83.578 10.618 -0.089 1.00 0.00 C ATOM 998 CG MET A 65 82.133 10.283 -0.448 1.00 0.00 C ATOM 999 SD MET A 65 81.080 11.722 -0.133 1.00 0.00 S ATOM 1000 CE MET A 65 80.881 12.242 -1.852 1.00 0.00 C ATOM 0 H MET A 65 83.198 8.784 1.529 1.00 0.00 H new ATOM 0 HA MET A 65 84.295 8.835 -1.059 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.621 11.086 0.895 1.00 0.00 H new ATOM 0 HB3 MET A 65 83.985 11.336 -0.801 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.066 9.993 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.789 9.432 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 65 79.946 12.793 -1.960 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.715 12.883 -2.137 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.861 11.364 -2.498 1.00 0.00 H new ATOM 1010 N GLU A 66 86.215 10.230 1.258 1.00 0.00 N ATOM 1011 CA GLU A 66 87.597 10.590 1.538 1.00 0.00 C ATOM 1012 C GLU A 66 88.468 9.343 1.481 1.00 0.00 C ATOM 1013 O GLU A 66 89.641 9.400 1.118 1.00 0.00 O ATOM 1014 CB GLU A 66 87.702 11.231 2.924 1.00 0.00 C ATOM 1015 CG GLU A 66 86.759 12.432 3.005 1.00 0.00 C ATOM 1016 CD GLU A 66 87.045 13.235 4.269 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.328 12.622 5.285 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 86.977 14.451 4.203 1.00 0.00 O ATOM 0 H GLU A 66 85.558 10.427 2.013 1.00 0.00 H new ATOM 0 HA GLU A 66 87.938 11.306 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.446 10.502 3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.728 11.548 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.886 13.064 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.723 12.092 3.007 1.00 0.00 H new ATOM 1025 N TYR A 67 87.869 8.216 1.841 1.00 0.00 N ATOM 1026 CA TYR A 67 88.570 6.940 1.829 1.00 0.00 C ATOM 1027 C TYR A 67 88.663 6.395 0.403 1.00 0.00 C ATOM 1028 O TYR A 67 89.559 5.615 0.085 1.00 0.00 O ATOM 1029 CB TYR A 67 87.822 5.952 2.729 1.00 0.00 C ATOM 1030 CG TYR A 67 88.240 4.531 2.425 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.679 3.857 1.334 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.175 3.884 3.240 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.054 2.538 1.056 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.550 2.564 2.966 1.00 0.00 C ATOM 1035 CZ TYR A 67 88.989 1.891 1.873 1.00 0.00 C ATOM 1036 OH TYR A 67 89.359 0.590 1.601 1.00 0.00 O ATOM 0 H TYR A 67 86.897 8.160 2.146 1.00 0.00 H new ATOM 0 HA TYR A 67 89.584 7.079 2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.025 6.180 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.747 6.060 2.582 1.00 0.00 H new ATOM 0 HD1 TYR A 67 86.956 4.356 0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.608 4.404 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.623 2.020 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.271 2.065 3.596 1.00 0.00 H new ATOM 0 HH TYR A 67 90.017 0.292 2.263 1.00 0.00 H new ATOM 1046 N LEU A 68 87.725 6.809 -0.445 1.00 0.00 N ATOM 1047 CA LEU A 68 87.697 6.351 -1.832 1.00 0.00 C ATOM 1048 C LEU A 68 88.691 7.136 -2.688 1.00 0.00 C ATOM 1049 O LEU A 68 89.011 6.732 -3.805 1.00 0.00 O ATOM 1050 CB LEU A 68 86.276 6.505 -2.404 1.00 0.00 C ATOM 1051 CG LEU A 68 85.507 5.181 -2.279 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.044 5.396 -2.669 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.117 4.124 -3.203 1.00 0.00 C ATOM 0 H LEU A 68 86.978 7.458 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 68 87.985 5.300 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.745 7.294 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.328 6.806 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 68 85.570 4.838 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.501 4.455 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.596 6.138 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 68 83.990 5.749 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.562 3.191 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.065 4.470 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.159 3.958 -2.928 1.00 0.00 H new ATOM 1065 N GLU A 69 89.179 8.255 -2.159 1.00 0.00 N ATOM 1066 CA GLU A 69 90.136 9.080 -2.893 1.00 0.00 C ATOM 1067 C GLU A 69 91.564 8.751 -2.463 1.00 0.00 C ATOM 1068 O GLU A 69 92.529 9.161 -3.108 1.00 0.00 O ATOM 1069 CB GLU A 69 89.836 10.568 -2.654 1.00 0.00 C ATOM 1070 CG GLU A 69 90.671 11.102 -1.485 1.00 0.00 C ATOM 1071 CD GLU A 69 90.088 12.420 -0.987 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.470 13.110 -1.782 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 90.266 12.720 0.182 1.00 0.00 O ATOM 0 H GLU A 69 88.931 8.609 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 69 90.040 8.867 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.055 11.139 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.775 10.702 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.686 10.373 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.704 11.248 -1.802 1.00 0.00 H new ATOM 1080 N ASN A 70 91.685 8.009 -1.369 1.00 0.00 N ATOM 1081 CA ASN A 70 92.996 7.625 -0.853 1.00 0.00 C ATOM 1082 C ASN A 70 92.842 6.648 0.313 1.00 0.00 C ATOM 1083 O ASN A 70 93.189 6.956 1.452 1.00 0.00 O ATOM 1084 CB ASN A 70 93.762 8.873 -0.394 1.00 0.00 C ATOM 1085 CG ASN A 70 95.266 8.643 -0.517 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.792 7.550 -0.038 1.00 0.00 O flip ATOM 1087 ND2 ASN A 70 95.979 9.483 -1.065 1.00 0.00 N flip ATOM 0 H ASN A 70 90.896 7.662 -0.823 1.00 0.00 H new ATOM 0 HA ASN A 70 93.557 7.134 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.467 9.732 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.506 9.106 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 70 95.565 10.337 -1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 70 96.983 9.325 -1.145 1.00 0.00 H new ATOM 1094 N PRO A 71 92.319 5.483 0.037 1.00 0.00 N ATOM 1095 CA PRO A 71 92.094 4.425 1.066 1.00 0.00 C ATOM 1096 C PRO A 71 93.282 4.244 2.009 1.00 0.00 C ATOM 1097 O PRO A 71 93.107 4.002 3.203 1.00 0.00 O ATOM 1098 CB PRO A 71 91.877 3.163 0.229 1.00 0.00 C ATOM 1099 CG PRO A 71 91.311 3.644 -1.067 1.00 0.00 C ATOM 1100 CD PRO A 71 91.880 5.046 -1.300 1.00 0.00 C ATOM 0 HA PRO A 71 91.260 4.674 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.814 2.627 0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.194 2.474 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.586 2.974 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.222 3.669 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.711 5.027 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.127 5.718 -1.712 1.00 0.00 H new ATOM 1108 N LYS A 72 94.486 4.337 1.462 1.00 0.00 N ATOM 1109 CA LYS A 72 95.694 4.156 2.260 1.00 0.00 C ATOM 1110 C LYS A 72 95.918 5.319 3.223 1.00 0.00 C ATOM 1111 O LYS A 72 96.208 5.110 4.402 1.00 0.00 O ATOM 1112 CB LYS A 72 96.908 4.027 1.338 1.00 0.00 C ATOM 1113 CG LYS A 72 98.156 3.664 2.166 1.00 0.00 C ATOM 1114 CD LYS A 72 98.668 2.272 1.770 1.00 0.00 C ATOM 1115 CE LYS A 72 97.696 1.196 2.262 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.464 1.362 3.725 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.654 4.535 0.476 1.00 0.00 H new ATOM 0 HA LYS A 72 95.567 3.247 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.724 3.261 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.073 4.964 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.937 4.407 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.914 3.682 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.775 2.209 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.656 2.104 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.752 1.271 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.101 0.205 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.099 0.473 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.360 1.608 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.771 2.122 3.883 1.00 0.00 H new ATOM 1130 N LYS A 73 95.807 6.539 2.715 1.00 0.00 N ATOM 1131 CA LYS A 73 96.029 7.719 3.541 1.00 0.00 C ATOM 1132 C LYS A 73 94.961 7.859 4.624 1.00 0.00 C ATOM 1133 O LYS A 73 95.220 8.430 5.684 1.00 0.00 O ATOM 1134 CB LYS A 73 96.037 8.977 2.671 1.00 0.00 C ATOM 1135 CG LYS A 73 96.621 10.147 3.470 1.00 0.00 C ATOM 1136 CD LYS A 73 96.602 11.421 2.617 1.00 0.00 C ATOM 1137 CE LYS A 73 95.258 12.137 2.783 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.195 12.768 4.132 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.567 6.737 1.744 1.00 0.00 H new ATOM 0 HA LYS A 73 96.997 7.600 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.628 8.806 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.024 9.214 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.044 10.300 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.642 9.918 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.416 12.082 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.764 11.170 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.140 12.895 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.439 11.428 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.533 13.569 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 94.868 12.068 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.140 13.108 4.401 1.00 0.00 H new ATOM 1152 N TYR A 74 93.763 7.349 4.359 1.00 0.00 N ATOM 1153 CA TYR A 74 92.679 7.448 5.334 1.00 0.00 C ATOM 1154 C TYR A 74 92.998 6.622 6.578 1.00 0.00 C ATOM 1155 O TYR A 74 93.029 7.149 7.690 1.00 0.00 O ATOM 1156 CB TYR A 74 91.360 6.971 4.709 1.00 0.00 C ATOM 1157 CG TYR A 74 90.209 7.773 5.277 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.143 9.154 5.055 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.211 7.137 6.028 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.083 9.899 5.583 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.150 7.884 6.555 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.086 9.263 6.333 1.00 0.00 C ATOM 1163 OH TYR A 74 87.041 9.999 6.854 1.00 0.00 O ATOM 0 H TYR A 74 93.518 6.870 3.492 1.00 0.00 H new ATOM 0 HA TYR A 74 92.575 8.492 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.397 7.086 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.212 5.910 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.911 9.645 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.260 6.072 6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.034 10.964 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.381 7.394 7.133 1.00 0.00 H new ATOM 0 HH TYR A 74 87.022 10.884 6.432 1.00 0.00 H new ATOM 1173 N ILE A 75 93.241 5.330 6.382 1.00 0.00 N ATOM 1174 CA ILE A 75 93.565 4.437 7.492 1.00 0.00 C ATOM 1175 C ILE A 75 94.867 3.693 7.203 1.00 0.00 C ATOM 1176 O ILE A 75 94.860 2.489 6.944 1.00 0.00 O ATOM 1177 CB ILE A 75 92.428 3.432 7.703 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.115 4.191 7.928 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.728 2.558 8.927 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.933 3.241 7.723 1.00 0.00 C ATOM 0 H ILE A 75 93.220 4.878 5.468 1.00 0.00 H new ATOM 0 HA ILE A 75 93.689 5.031 8.398 1.00 0.00 H new ATOM 0 HB ILE A 75 92.339 2.797 6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.091 4.606 8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.045 5.030 7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.916 1.845 9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.661 2.018 8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.820 3.189 9.811 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.000 3.781 7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.955 2.847 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.001 2.417 8.433 1.00 0.00 H new ATOM 1192 N PRO A 76 95.976 4.388 7.236 1.00 0.00 N ATOM 1193 CA PRO A 76 97.314 3.790 6.968 1.00 0.00 C ATOM 1194 C PRO A 76 97.475 2.415 7.611 1.00 0.00 C ATOM 1195 O PRO A 76 97.163 2.229 8.785 1.00 0.00 O ATOM 1196 CB PRO A 76 98.279 4.805 7.579 1.00 0.00 C ATOM 1197 CG PRO A 76 97.581 6.121 7.460 1.00 0.00 C ATOM 1198 CD PRO A 76 96.077 5.827 7.537 1.00 0.00 C ATOM 0 HA PRO A 76 97.485 3.615 5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.496 4.566 8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.231 4.814 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.886 6.795 8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.833 6.610 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.676 6.057 8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.517 6.425 6.818 1.00 0.00 H new ATOM 1206 N GLY A 77 97.963 1.458 6.826 1.00 0.00 N ATOM 1207 CA GLY A 77 98.163 0.097 7.317 1.00 0.00 C ATOM 1208 C GLY A 77 97.179 -0.862 6.659 1.00 0.00 C ATOM 1209 O GLY A 77 97.467 -2.047 6.495 1.00 0.00 O ATOM 0 H GLY A 77 98.226 1.599 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.184 -0.223 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.034 0.073 8.399 1.00 0.00 H new ATOM 1213 N THR A 78 96.020 -0.338 6.275 1.00 0.00 N ATOM 1214 CA THR A 78 95.002 -1.155 5.628 1.00 0.00 C ATOM 1215 C THR A 78 95.580 -1.842 4.397 1.00 0.00 C ATOM 1216 O THR A 78 96.423 -1.276 3.700 1.00 0.00 O ATOM 1217 CB THR A 78 93.818 -0.283 5.216 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.794 -1.103 4.670 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.280 0.725 4.169 1.00 0.00 C ATOM 0 H THR A 78 95.764 0.641 6.400 1.00 0.00 H new ATOM 0 HA THR A 78 94.665 -1.914 6.334 1.00 0.00 H new ATOM 0 HB THR A 78 93.429 0.246 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.699 -1.913 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.439 1.351 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.067 1.351 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.665 0.194 3.298 1.00 0.00 H new ATOM 1227 N LYS A 79 95.128 -3.063 4.132 1.00 0.00 N ATOM 1228 CA LYS A 79 95.619 -3.810 2.978 1.00 0.00 C ATOM 1229 C LYS A 79 94.733 -3.566 1.757 1.00 0.00 C ATOM 1230 O LYS A 79 93.751 -4.275 1.539 1.00 0.00 O ATOM 1231 CB LYS A 79 95.659 -5.306 3.303 1.00 0.00 C ATOM 1232 CG LYS A 79 96.743 -5.988 2.457 1.00 0.00 C ATOM 1233 CD LYS A 79 96.317 -7.419 2.142 1.00 0.00 C ATOM 1234 CE LYS A 79 97.526 -8.222 1.658 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.066 -9.521 1.091 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.431 -3.553 4.693 1.00 0.00 H new ATOM 0 HA LYS A 79 96.627 -3.464 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.865 -5.453 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.688 -5.758 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.901 -5.432 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.691 -5.989 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 79 95.890 -7.885 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 79 95.540 -7.417 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.073 -7.657 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 79 98.214 -8.397 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 97.888 -10.067 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 96.563 -10.061 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 96.426 -9.343 0.291 1.00 0.00 H new ATOM 1249 N MET A 80 95.090 -2.561 0.962 1.00 0.00 N ATOM 1250 CA MET A 80 94.321 -2.238 -0.236 1.00 0.00 C ATOM 1251 C MET A 80 95.053 -1.198 -1.082 1.00 0.00 C ATOM 1252 O MET A 80 94.947 0.004 -0.837 1.00 0.00 O ATOM 1253 CB MET A 80 92.936 -1.708 0.154 1.00 0.00 C ATOM 1254 CG MET A 80 92.295 -0.996 -1.045 1.00 0.00 C ATOM 1255 SD MET A 80 90.492 -1.032 -0.884 1.00 0.00 S ATOM 1256 CE MET A 80 90.159 0.544 -1.711 1.00 0.00 C ATOM 0 H MET A 80 95.899 -1.961 1.123 1.00 0.00 H new ATOM 0 HA MET A 80 94.205 -3.148 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.301 -2.531 0.482 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.024 -1.019 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.645 0.035 -1.097 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.597 -1.482 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.882 1.293 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 80 91.052 0.872 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 80 89.341 0.417 -2.420 1.00 0.00 H new ATOM 1266 N ILE A 81 95.790 -1.671 -2.084 1.00 0.00 N ATOM 1267 CA ILE A 81 96.533 -0.781 -2.974 1.00 0.00 C ATOM 1268 C ILE A 81 96.152 -1.051 -4.428 1.00 0.00 C ATOM 1269 O ILE A 81 96.446 -2.117 -4.968 1.00 0.00 O ATOM 1270 CB ILE A 81 98.041 -0.994 -2.792 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.479 -0.452 -1.424 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.799 -0.251 -3.896 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.016 -1.393 -0.304 1.00 0.00 C ATOM 0 H ILE A 81 95.889 -2.663 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 81 96.282 0.250 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 81 98.262 -2.060 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.564 -0.349 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.061 0.542 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.871 -0.402 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.493 -0.635 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.573 0.814 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.334 -0.995 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 81 96.929 -1.474 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.456 -2.379 -0.452 1.00 0.00 H new ATOM 1285 N PHE A 82 95.495 -0.079 -5.057 1.00 0.00 N ATOM 1286 CA PHE A 82 95.081 -0.227 -6.449 1.00 0.00 C ATOM 1287 C PHE A 82 95.030 1.131 -7.145 1.00 0.00 C ATOM 1288 O PHE A 82 95.897 1.454 -7.957 1.00 0.00 O ATOM 1289 CB PHE A 82 93.703 -0.891 -6.516 1.00 0.00 C ATOM 1290 CG PHE A 82 93.322 -1.120 -7.960 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.055 -2.022 -8.741 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.235 -0.434 -8.519 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.704 -2.237 -10.079 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.885 -0.650 -9.857 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.619 -1.551 -10.637 1.00 0.00 C ATOM 0 H PHE A 82 95.240 0.811 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 82 95.812 -0.854 -6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.718 -1.839 -5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.960 -0.260 -6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.892 -2.552 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.668 0.261 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.270 -2.932 -10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.048 -0.121 -10.288 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.348 -1.717 -11.669 1.00 0.00 H new ATOM 1305 N ALA A 83 94.010 1.921 -6.824 1.00 0.00 N ATOM 1306 CA ALA A 83 93.858 3.241 -7.426 1.00 0.00 C ATOM 1307 C ALA A 83 92.681 3.981 -6.801 1.00 0.00 C ATOM 1308 O ALA A 83 91.559 3.476 -6.779 1.00 0.00 O ATOM 1309 CB ALA A 83 93.633 3.104 -8.934 1.00 0.00 C ATOM 0 H ALA A 83 93.281 1.672 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 83 94.770 3.810 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.520 4.094 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.488 2.600 -9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.730 2.521 -9.116 1.00 0.00 H new ATOM 1315 N GLY A 84 92.944 5.181 -6.296 1.00 0.00 N ATOM 1316 CA GLY A 84 91.897 5.982 -5.674 1.00 0.00 C ATOM 1317 C GLY A 84 91.040 6.668 -6.731 1.00 0.00 C ATOM 1318 O GLY A 84 91.343 6.611 -7.923 1.00 0.00 O ATOM 0 H GLY A 84 93.866 5.618 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.271 5.347 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.345 6.731 -5.021 1.00 0.00 H new ATOM 1322 N ILE A 85 89.970 7.319 -6.286 1.00 0.00 N ATOM 1323 CA ILE A 85 89.074 8.017 -7.205 1.00 0.00 C ATOM 1324 C ILE A 85 89.603 9.421 -7.493 1.00 0.00 C ATOM 1325 O ILE A 85 90.442 9.938 -6.755 1.00 0.00 O ATOM 1326 CB ILE A 85 87.675 8.102 -6.593 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.082 6.688 -6.456 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.773 8.961 -7.484 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.351 6.286 -7.744 1.00 0.00 C ATOM 0 H ILE A 85 89.702 7.379 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 85 89.024 7.463 -8.142 1.00 0.00 H new ATOM 0 HB ILE A 85 87.741 8.559 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.877 5.973 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.391 6.657 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.777 9.019 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.192 9.964 -7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.707 8.512 -8.475 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.938 5.284 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.543 6.991 -7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.052 6.297 -8.579 1.00 0.00 H new ATOM 1341 N LYS A 86 89.118 10.028 -8.575 1.00 0.00 N ATOM 1342 CA LYS A 86 89.564 11.368 -8.956 1.00 0.00 C ATOM 1343 C LYS A 86 88.499 12.420 -8.637 1.00 0.00 C ATOM 1344 O LYS A 86 88.731 13.322 -7.832 1.00 0.00 O ATOM 1345 CB LYS A 86 89.886 11.396 -10.460 1.00 0.00 C ATOM 1346 CG LYS A 86 91.404 11.322 -10.680 1.00 0.00 C ATOM 1347 CD LYS A 86 91.930 9.944 -10.255 1.00 0.00 C ATOM 1348 CE LYS A 86 91.850 8.973 -11.437 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.950 9.272 -12.399 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.423 9.618 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 86 90.459 11.606 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.398 10.559 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.491 12.308 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.637 11.501 -11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.901 12.103 -10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.961 10.028 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.344 9.563 -9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.931 7.945 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.884 9.065 -11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.116 8.443 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.683 10.085 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.819 9.497 -11.874 1.00 0.00 H new ATOM 1363 N LYS A 87 87.341 12.315 -9.287 1.00 0.00 N ATOM 1364 CA LYS A 87 86.266 13.282 -9.072 1.00 0.00 C ATOM 1365 C LYS A 87 85.387 12.892 -7.886 1.00 0.00 C ATOM 1366 O LYS A 87 85.398 11.748 -7.432 1.00 0.00 O ATOM 1367 CB LYS A 87 85.403 13.389 -10.330 1.00 0.00 C ATOM 1368 CG LYS A 87 86.297 13.663 -11.542 1.00 0.00 C ATOM 1369 CD LYS A 87 85.424 13.949 -12.766 1.00 0.00 C ATOM 1370 CE LYS A 87 86.312 14.092 -14.004 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.788 12.746 -14.432 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.124 11.579 -9.959 1.00 0.00 H new ATOM 0 HA LYS A 87 86.726 14.245 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.843 12.466 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.672 14.190 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.950 14.513 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.941 12.805 -11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.707 13.141 -12.911 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.849 14.862 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.755 14.566 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 87 87.162 14.737 -13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.826 12.751 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 86.491 12.035 -13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 86.380 12.512 -15.360 1.00 0.00 H new ATOM 1385 N LYS A 88 84.621 13.860 -7.394 1.00 0.00 N ATOM 1386 CA LYS A 88 83.728 13.624 -6.267 1.00 0.00 C ATOM 1387 C LYS A 88 82.562 12.738 -6.692 1.00 0.00 C ATOM 1388 O LYS A 88 82.312 11.697 -6.088 1.00 0.00 O ATOM 1389 CB LYS A 88 83.198 14.963 -5.742 1.00 0.00 C ATOM 1390 CG LYS A 88 82.212 14.727 -4.590 1.00 0.00 C ATOM 1391 CD LYS A 88 81.547 16.055 -4.208 1.00 0.00 C ATOM 1392 CE LYS A 88 80.251 15.787 -3.437 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.577 15.413 -2.032 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.601 14.813 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 88 84.282 13.118 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.027 15.582 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.705 15.508 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.455 14.001 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.734 14.309 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 88 82.227 16.650 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.333 16.636 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.617 16.674 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.689 14.986 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.837 14.785 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.493 14.921 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.629 16.272 -1.447 1.00 0.00 H new ATOM 1407 N THR A 89 81.848 13.160 -7.732 1.00 0.00 N ATOM 1408 CA THR A 89 80.709 12.392 -8.218 1.00 0.00 C ATOM 1409 C THR A 89 81.110 10.946 -8.475 1.00 0.00 C ATOM 1410 O THR A 89 80.275 10.045 -8.428 1.00 0.00 O ATOM 1411 CB THR A 89 80.158 13.008 -9.501 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.211 13.167 -10.442 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.538 14.370 -9.187 1.00 0.00 C ATOM 0 H THR A 89 82.036 14.019 -8.248 1.00 0.00 H new ATOM 0 HA THR A 89 79.934 12.414 -7.452 1.00 0.00 H new ATOM 0 HB THR A 89 79.395 12.352 -9.921 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.856 13.561 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.144 14.810 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.729 14.244 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.299 15.028 -8.766 1.00 0.00 H new ATOM 1421 N GLU A 90 82.394 10.724 -8.731 1.00 0.00 N ATOM 1422 CA GLU A 90 82.876 9.371 -8.970 1.00 0.00 C ATOM 1423 C GLU A 90 82.761 8.577 -7.677 1.00 0.00 C ATOM 1424 O GLU A 90 82.394 7.402 -7.683 1.00 0.00 O ATOM 1425 CB GLU A 90 84.332 9.394 -9.445 1.00 0.00 C ATOM 1426 CG GLU A 90 84.386 9.746 -10.933 1.00 0.00 C ATOM 1427 CD GLU A 90 85.798 10.175 -11.319 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.698 9.959 -10.525 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.957 10.712 -12.402 1.00 0.00 O ATOM 0 H GLU A 90 83.109 11.450 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 90 82.274 8.903 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.901 10.124 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.795 8.422 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.083 8.885 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.681 10.549 -11.151 1.00 0.00 H new ATOM 1436 N ARG A 91 83.058 9.245 -6.566 1.00 0.00 N ATOM 1437 CA ARG A 91 82.966 8.616 -5.258 1.00 0.00 C ATOM 1438 C ARG A 91 81.506 8.509 -4.838 1.00 0.00 C ATOM 1439 O ARG A 91 81.039 7.440 -4.453 1.00 0.00 O ATOM 1440 CB ARG A 91 83.725 9.445 -4.219 1.00 0.00 C ATOM 1441 CG ARG A 91 85.151 9.704 -4.704 1.00 0.00 C ATOM 1442 CD ARG A 91 85.943 10.447 -3.620 1.00 0.00 C ATOM 1443 NE ARG A 91 86.720 11.527 -4.220 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.248 12.493 -3.474 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.085 12.482 -2.178 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.931 13.452 -4.036 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.363 10.218 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 91 83.406 7.621 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.211 10.391 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.746 8.918 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.641 8.760 -4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.131 10.293 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.261 10.851 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.607 9.754 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 91 86.861 11.541 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.552 11.732 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.490 13.223 -1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.060 13.461 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.336 14.193 -3.464 1.00 0.00 H new ATOM 1460 N GLU A 92 80.789 9.627 -4.918 1.00 0.00 N ATOM 1461 CA GLU A 92 79.380 9.645 -4.542 1.00 0.00 C ATOM 1462 C GLU A 92 78.608 8.587 -5.322 1.00 0.00 C ATOM 1463 O GLU A 92 77.926 7.747 -4.735 1.00 0.00 O ATOM 1464 CB GLU A 92 78.782 11.026 -4.821 1.00 0.00 C ATOM 1465 CG GLU A 92 77.460 11.174 -4.066 1.00 0.00 C ATOM 1466 CD GLU A 92 76.782 12.482 -4.456 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.345 13.526 -4.172 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.708 12.421 -5.033 1.00 0.00 O1- ATOM 0 H GLU A 92 81.157 10.523 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 92 79.303 9.426 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.479 11.805 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.618 11.153 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.805 10.333 -4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.641 11.155 -2.991 1.00 0.00 H new ATOM 1475 N ASP A 93 78.728 8.624 -6.646 1.00 0.00 N ATOM 1476 CA ASP A 93 78.041 7.651 -7.487 1.00 0.00 C ATOM 1477 C ASP A 93 78.483 6.239 -7.117 1.00 0.00 C ATOM 1478 O ASP A 93 77.656 5.351 -6.906 1.00 0.00 O ATOM 1479 CB ASP A 93 78.355 7.913 -8.962 1.00 0.00 C ATOM 1480 CG ASP A 93 77.926 9.326 -9.344 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.905 9.769 -8.847 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.625 9.942 -10.131 1.00 0.00 O1- ATOM 0 H ASP A 93 79.288 9.309 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 93 76.967 7.748 -7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.422 7.787 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.837 7.185 -9.587 1.00 0.00 H new ATOM 1487 N LEU A 94 79.795 6.045 -7.033 1.00 0.00 N ATOM 1488 CA LEU A 94 80.346 4.743 -6.679 1.00 0.00 C ATOM 1489 C LEU A 94 79.800 4.287 -5.338 1.00 0.00 C ATOM 1490 O LEU A 94 79.571 3.098 -5.117 1.00 0.00 O ATOM 1491 CB LEU A 94 81.871 4.830 -6.586 1.00 0.00 C ATOM 1492 CG LEU A 94 82.440 3.497 -6.095 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.960 2.367 -7.005 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.967 3.560 -6.117 1.00 0.00 C ATOM 0 H LEU A 94 80.493 6.769 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 94 80.061 4.028 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.290 5.077 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.157 5.631 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 94 82.098 3.308 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.367 1.419 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.871 2.324 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.300 2.551 -8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.375 2.612 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.309 3.749 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.307 4.364 -5.464 1.00 0.00 H new ATOM 1506 N ILE A 95 79.611 5.241 -4.438 1.00 0.00 N ATOM 1507 CA ILE A 95 79.114 4.930 -3.112 1.00 0.00 C ATOM 1508 C ILE A 95 77.619 4.652 -3.153 1.00 0.00 C ATOM 1509 O ILE A 95 77.109 3.845 -2.378 1.00 0.00 O ATOM 1510 CB ILE A 95 79.439 6.080 -2.151 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.915 5.961 -1.724 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.532 6.007 -0.912 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.560 7.344 -1.601 1.00 0.00 C ATOM 0 H ILE A 95 79.794 6.231 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 95 79.608 4.029 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 95 79.269 7.035 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 95 80.981 5.438 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.462 5.364 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.772 6.828 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.489 6.083 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.691 5.058 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.601 7.234 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.513 7.854 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.025 7.930 -0.854 1.00 0.00 H new ATOM 1525 N ALA A 96 76.924 5.303 -4.074 1.00 0.00 N ATOM 1526 CA ALA A 96 75.494 5.085 -4.209 1.00 0.00 C ATOM 1527 C ALA A 96 75.237 3.614 -4.519 1.00 0.00 C ATOM 1528 O ALA A 96 74.271 3.020 -4.033 1.00 0.00 O ATOM 1529 CB ALA A 96 74.933 5.960 -5.329 1.00 0.00 C ATOM 0 H ALA A 96 77.321 5.977 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 96 74.998 5.352 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.861 5.789 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.114 7.009 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.423 5.707 -6.269 1.00 0.00 H new ATOM 1535 N TYR A 97 76.123 3.030 -5.321 1.00 0.00 N ATOM 1536 CA TYR A 97 75.998 1.626 -5.683 1.00 0.00 C ATOM 1537 C TYR A 97 76.415 0.743 -4.511 1.00 0.00 C ATOM 1538 O TYR A 97 75.700 -0.183 -4.142 1.00 0.00 O ATOM 1539 CB TYR A 97 76.867 1.310 -6.904 1.00 0.00 C ATOM 1540 CG TYR A 97 76.938 -0.188 -7.099 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.872 -0.869 -7.700 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.067 -0.897 -6.672 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.936 -2.256 -7.875 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.131 -2.284 -6.848 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.066 -2.964 -7.449 1.00 0.00 C ATOM 1546 OH TYR A 97 77.128 -4.332 -7.622 1.00 0.00 O ATOM 0 H TYR A 97 76.928 3.505 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 97 74.956 1.424 -5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.450 1.784 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.869 1.717 -6.766 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.000 -0.323 -8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.889 -0.373 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.113 -2.780 -8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.003 -2.830 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 97 78.050 -4.594 -7.827 1.00 0.00 H new ATOM 1556 N LEU A 98 77.578 1.033 -3.931 1.00 0.00 N ATOM 1557 CA LEU A 98 78.068 0.252 -2.801 1.00 0.00 C ATOM 1558 C LEU A 98 76.992 0.147 -1.720 1.00 0.00 C ATOM 1559 O LEU A 98 76.994 -0.786 -0.918 1.00 0.00 O ATOM 1560 CB LEU A 98 79.325 0.911 -2.213 1.00 0.00 C ATOM 1561 CG LEU A 98 80.563 0.514 -3.036 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.651 1.581 -2.908 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.115 -0.813 -2.515 1.00 0.00 C ATOM 0 H LEU A 98 78.191 1.794 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 98 78.316 -0.749 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.211 1.995 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.455 0.604 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 98 80.271 0.418 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.521 1.286 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.271 2.534 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.938 1.684 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.992 -1.096 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.394 -0.704 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.353 -1.586 -2.609 1.00 0.00 H new ATOM 1575 N LYS A 99 76.076 1.113 -1.703 1.00 0.00 N ATOM 1576 CA LYS A 99 75.003 1.120 -0.712 1.00 0.00 C ATOM 1577 C LYS A 99 73.899 0.139 -1.096 1.00 0.00 C ATOM 1578 O LYS A 99 73.496 -0.702 -0.292 1.00 0.00 O ATOM 1579 CB LYS A 99 74.413 2.530 -0.587 1.00 0.00 C ATOM 1580 CG LYS A 99 75.346 3.405 0.253 1.00 0.00 C ATOM 1581 CD LYS A 99 74.748 4.808 0.398 1.00 0.00 C ATOM 1582 CE LYS A 99 73.447 4.741 1.207 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.220 6.050 1.886 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.055 1.894 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 99 75.424 0.813 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.280 2.968 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.427 2.483 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.492 2.958 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.327 3.464 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.461 5.467 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.553 5.233 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.609 4.509 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.505 3.941 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.338 6.008 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 74.016 6.253 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.147 6.803 1.173 1.00 0.00 H new ATOM 1597 N LYS A 100 73.407 0.256 -2.324 1.00 0.00 N ATOM 1598 CA LYS A 100 72.342 -0.625 -2.795 1.00 0.00 C ATOM 1599 C LYS A 100 72.892 -2.009 -3.131 1.00 0.00 C ATOM 1600 O LYS A 100 72.139 -2.977 -3.241 1.00 0.00 O ATOM 1601 CB LYS A 100 71.678 -0.018 -4.035 1.00 0.00 C ATOM 1602 CG LYS A 100 70.273 -0.602 -4.209 1.00 0.00 C ATOM 1603 CD LYS A 100 69.580 0.062 -5.406 1.00 0.00 C ATOM 1604 CE LYS A 100 68.871 1.344 -4.955 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.692 2.250 -6.125 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.724 0.945 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 100 71.604 -0.730 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.621 1.066 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.280 -0.225 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.333 -1.679 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.688 -0.442 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.313 0.294 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 100 68.859 -0.626 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 100 67.903 1.102 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.455 1.842 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.211 3.120 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.622 2.490 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.118 1.773 -6.849 1.00 0.00 H new ATOM 1619 N ALA A 101 74.207 -2.093 -3.293 1.00 0.00 N ATOM 1620 CA ALA A 101 74.855 -3.359 -3.617 1.00 0.00 C ATOM 1621 C ALA A 101 75.171 -4.139 -2.346 1.00 0.00 C ATOM 1622 O ALA A 101 75.176 -5.369 -2.347 1.00 0.00 O ATOM 1623 CB ALA A 101 76.146 -3.099 -4.394 1.00 0.00 C ATOM 0 H ALA A 101 74.845 -1.302 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 101 74.174 -3.949 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.625 -4.049 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.914 -2.567 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.821 -2.495 -3.787 1.00 0.00 H new ATOM 1629 N THR A 102 75.436 -3.413 -1.265 1.00 0.00 N ATOM 1630 CA THR A 102 75.755 -4.046 0.009 1.00 0.00 C ATOM 1631 C THR A 102 74.484 -4.265 0.817 1.00 0.00 C ATOM 1632 O THR A 102 74.511 -4.852 1.898 1.00 0.00 O ATOM 1633 CB THR A 102 76.723 -3.166 0.801 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.156 -1.874 0.969 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.046 -3.055 0.042 1.00 0.00 C ATOM 0 H THR A 102 75.436 -2.393 -1.245 1.00 0.00 H new ATOM 0 HA THR A 102 76.224 -5.010 -0.186 1.00 0.00 H new ATOM 0 HB THR A 102 76.905 -3.610 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.212 -1.380 0.125 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.737 -2.428 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.477 -4.048 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.868 -2.610 -0.937 1.00 0.00 H new ATOM 1643 N ASN A 103 73.372 -3.784 0.275 1.00 0.00 N ATOM 1644 CA ASN A 103 72.081 -3.921 0.935 1.00 0.00 C ATOM 1645 C ASN A 103 71.337 -5.136 0.392 1.00 0.00 C ATOM 1646 O ASN A 103 70.473 -5.701 1.063 1.00 0.00 O ATOM 1647 CB ASN A 103 71.251 -2.659 0.699 1.00 0.00 C ATOM 1648 CG ASN A 103 71.731 -1.540 1.613 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.977 -1.511 1.990 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.948 -0.669 1.994 1.00 0.00 N flip ATOM 0 H ASN A 103 73.339 -3.296 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 103 72.241 -4.057 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.334 -2.349 -0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.198 -2.866 0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.973 -0.695 1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 103 71.275 0.078 2.607 1.00 0.00 H new ATOM 1657 N GLU A 104 71.681 -5.532 -0.830 1.00 0.00 N ATOM 1658 CA GLU A 104 71.042 -6.681 -1.462 1.00 0.00 C ATOM 1659 C GLU A 104 72.001 -7.354 -2.440 1.00 0.00 C ATOM 1660 O GLU A 104 71.651 -8.402 -2.957 1.00 0.00 O ATOM 1661 CB GLU A 104 69.781 -6.238 -2.205 1.00 0.00 C ATOM 1662 CG GLU A 104 70.108 -5.043 -3.102 1.00 0.00 C ATOM 1663 CD GLU A 104 68.974 -4.812 -4.096 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.775 -5.665 -4.946 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.322 -3.786 -3.993 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 73.071 -6.810 -2.658 1.00 0.00 O ATOM 0 H GLU A 104 72.395 -5.077 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 104 70.771 -7.395 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.392 -7.061 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.002 -5.968 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.257 -4.151 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.040 -5.223 -3.637 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.936 -2.707 -1.141 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.160 -3.312 2.179 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.380 -0.567 -0.577 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.820 -1.982 -4.442 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.352 -5.004 -1.726 1.00 0.00 C HETATM 1679 NA HEC A 201 87.989 -2.070 0.449 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.221 -2.402 1.765 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.319 -1.712 2.652 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.511 -0.961 1.870 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.936 -1.184 0.512 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.389 -0.086 2.323 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.304 -1.786 4.139 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.613 -3.044 4.659 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.267 -2.880 6.130 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.371 -3.570 6.584 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.909 -2.075 6.781 1.00 0.00 O HETATM 1690 NB HEC A 201 87.846 -1.529 -2.260 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.795 -0.725 -1.872 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.207 -0.040 -2.991 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.918 -0.409 -4.086 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.928 -1.336 -3.622 1.00 0.00 C HETATM 1695 CMB HEC A 201 85.013 0.853 -2.952 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.718 0.076 -5.489 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.963 1.583 -5.641 1.00 0.00 C HETATM 1698 NC HEC A 201 89.883 -3.343 -2.732 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.730 -2.923 -4.034 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.605 -3.638 -4.931 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.291 -4.526 -4.172 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.848 -4.326 -2.810 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.744 -3.420 -6.400 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.262 -5.558 -4.660 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.462 -4.955 -5.403 1.00 0.00 C HETATM 1706 ND HEC A 201 90.018 -3.893 -0.021 1.00 0.00 N HETATM 1707 C1D HEC A 201 90.972 -4.803 -0.422 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.547 -5.498 0.704 1.00 0.00 C HETATM 1709 C3D HEC A 201 90.939 -5.003 1.811 1.00 0.00 C HETATM 1710 C4D HEC A 201 89.997 -4.015 1.352 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.601 -6.555 0.658 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.186 -5.407 3.227 1.00 0.00 C HETATM 1713 CBD HEC A 201 91.944 -4.339 4.022 1.00 0.00 C HETATM 1714 CGD HEC A 201 91.851 -4.638 5.513 1.00 0.00 C HETATM 1715 O1D HEC A 201 91.332 -5.688 5.853 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.300 -3.814 6.293 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.243 -7.400 0.070 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.503 -6.150 0.199 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.828 -6.887 1.671 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.783 -3.592 -6.886 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.067 -2.396 -6.587 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.483 -4.113 -6.802 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.152 0.293 -2.587 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.209 1.693 -2.286 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.805 1.226 -3.955 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.646 -0.688 2.846 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.774 0.680 2.996 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.926 0.389 1.458 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 92.989 -4.315 3.712 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.527 -3.354 3.813 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.110 -4.398 -6.271 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 94.003 -4.284 -4.736 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.127 -5.755 -5.730 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.272 2.130 -4.999 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.988 1.816 -5.353 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.803 1.875 -6.679 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.707 -3.235 4.084 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.264 -3.908 4.525 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.232 -5.609 3.715 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.754 -6.337 3.242 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.328 -1.759 4.510 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.797 -0.907 4.537 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.113 -5.761 -1.916 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.803 -1.726 -5.501 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.540 0.104 -0.398 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.248 -3.490 3.251 1.00 0.00 H new HETATM 1749 O HOH A 301 80.747 3.158 -0.932 1.00 0.00 O HETATM 1752 O HOH A 302 86.180 5.699 6.057 1.00 0.00 O HETATM 1755 O HOH A 303 82.500 -6.205 5.755 1.00 0.00 O HETATM 1758 O HOH A 304 82.816 -10.036 -0.167 1.00 0.00 O