USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 41 THR OG1 : rot -108:sc= 1.18 USER MOD Set 1.2: A 43 SER OG : rot 66:sc= 1.11 USER MOD Single : A 1 ASP N :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -7.61! C(o=-7.6!,f=-5.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 17 HIS : no HE2:sc= 0.0832 K(o=0.083,f=-4.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.19! K(o=-2.2!,f=-1.3) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 96:sc= 0.12 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.19) USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= -0.243 (180deg=-1.13!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 95:sc= -2.04! USER MOD Single : A 55 ASN : amide:sc= -0.776 K(o=-0.78,f=-2.4!) USER MOD Single : A 56 ASN : amide:sc= 0.48 K(o=0.48,f=-2.2) USER MOD Single : A 59 ASN : amide:sc= 0.58 K(o=0.58,f=-6.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.42! C(o=-8.4!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 74:sc= 0.319 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -33:sc= -1.79! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 109 LYS NZ :NH3+ -113:sc= -1.59 (180deg=-5.03!) USER MOD Single : A 111 ASN : amide:sc= -2.79 K(o=-2.8,f=-7.5!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 118 THR OG1 : rot 87:sc= 0.372 USER MOD Single : A 120 THR OG1 : rot -71:sc= -0.955! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot -140:sc= 0 USER MOD Single : A 125 HEC O2D : rot 32:sc= -1.91! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.673 0.441 14.628 1.00 0.00 N ATOM 2 CA ASP A 1 -8.184 0.454 13.260 1.00 0.00 C ATOM 3 C ASP A 1 -6.863 -0.314 13.188 1.00 0.00 C ATOM 4 O ASP A 1 -6.677 -1.156 12.311 1.00 0.00 O ATOM 5 CB ASP A 1 -7.926 1.884 12.780 1.00 0.00 C ATOM 6 CG ASP A 1 -8.457 2.202 11.381 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.411 1.284 10.534 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.897 3.356 11.190 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.645 0.811 14.653 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.664 -0.534 14.991 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.061 1.037 15.221 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.942 -0.007 12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.378 2.577 13.490 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.852 2.068 12.795 1.00 0.00 H new ATOM 15 N VAL A 2 -5.979 0.004 14.123 1.00 0.00 N ATOM 16 CA VAL A 2 -4.680 -0.646 14.176 1.00 0.00 C ATOM 17 C VAL A 2 -4.875 -2.151 14.369 1.00 0.00 C ATOM 18 O VAL A 2 -4.153 -2.954 13.782 1.00 0.00 O ATOM 19 CB VAL A 2 -3.821 -0.009 15.271 1.00 0.00 C ATOM 20 CG1 VAL A 2 -2.552 -0.827 15.517 1.00 0.00 C ATOM 21 CG2 VAL A 2 -3.481 1.442 14.926 1.00 0.00 C ATOM 0 H VAL A 2 -6.137 0.703 14.849 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.144 -0.506 13.237 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.401 -0.006 16.194 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.959 -0.353 16.299 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.824 -1.836 15.829 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.967 -0.876 14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.870 1.871 15.720 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.929 1.473 13.987 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.401 2.017 14.825 1.00 0.00 H new ATOM 31 N THR A 3 -5.855 -2.487 15.195 1.00 0.00 N ATOM 32 CA THR A 3 -6.155 -3.882 15.473 1.00 0.00 C ATOM 33 C THR A 3 -6.009 -4.721 14.202 1.00 0.00 C ATOM 34 O THR A 3 -5.362 -5.767 14.216 1.00 0.00 O ATOM 35 CB THR A 3 -7.552 -3.951 16.090 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.357 -3.536 17.440 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.068 -5.387 16.213 1.00 0.00 C ATOM 0 H THR A 3 -6.452 -1.817 15.681 1.00 0.00 H new ATOM 0 HA THR A 3 -5.448 -4.305 16.187 1.00 0.00 H new ATOM 0 HB THR A 3 -8.245 -3.367 15.484 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.215 -3.550 17.914 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.063 -5.379 16.657 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.115 -5.843 15.224 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.393 -5.963 16.846 1.00 0.00 H new ATOM 45 N ASN A 4 -6.622 -4.232 13.134 1.00 0.00 N ATOM 46 CA ASN A 4 -6.568 -4.925 11.858 1.00 0.00 C ATOM 47 C ASN A 4 -5.190 -4.716 11.227 1.00 0.00 C ATOM 48 O ASN A 4 -4.575 -5.665 10.743 1.00 0.00 O ATOM 49 CB ASN A 4 -7.620 -4.378 10.890 1.00 0.00 C ATOM 50 CG ASN A 4 -8.857 -3.887 11.645 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.508 -2.928 11.265 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.144 -4.596 12.732 1.00 0.00 N ATOM 0 H ASN A 4 -7.158 -3.364 13.126 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.760 -5.982 12.040 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.195 -3.559 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.907 -5.155 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.951 -4.348 13.304 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.557 -5.388 12.994 1.00 0.00 H new ATOM 59 N ALA A 5 -4.746 -3.468 11.252 1.00 0.00 N ATOM 60 CA ALA A 5 -3.452 -3.123 10.688 1.00 0.00 C ATOM 61 C ALA A 5 -2.391 -4.083 11.231 1.00 0.00 C ATOM 62 O ALA A 5 -1.593 -4.626 10.470 1.00 0.00 O ATOM 63 CB ALA A 5 -3.132 -1.661 11.003 1.00 0.00 C ATOM 0 H ALA A 5 -5.259 -2.683 11.654 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.466 -3.227 9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.161 -1.402 10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.899 -1.019 10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.107 -1.519 12.083 1.00 0.00 H new ATOM 69 N GLU A 6 -2.418 -4.261 12.544 1.00 0.00 N ATOM 70 CA GLU A 6 -1.469 -5.146 13.198 1.00 0.00 C ATOM 71 C GLU A 6 -1.723 -6.596 12.785 1.00 0.00 C ATOM 72 O GLU A 6 -0.790 -7.395 12.702 1.00 0.00 O ATOM 73 CB GLU A 6 -1.532 -4.990 14.719 1.00 0.00 C ATOM 74 CG GLU A 6 -0.856 -6.170 15.420 1.00 0.00 C ATOM 75 CD GLU A 6 0.585 -6.343 14.934 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.295 -5.316 14.887 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.943 -7.499 14.622 1.00 0.00 O ATOM 0 H GLU A 6 -3.082 -3.808 13.172 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.464 -4.869 12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.045 -4.060 15.013 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.572 -4.920 15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.863 -6.010 16.498 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.420 -7.083 15.229 1.00 0.00 H new ATOM 84 N LYS A 7 -2.989 -6.894 12.535 1.00 0.00 N ATOM 85 CA LYS A 7 -3.378 -8.235 12.132 1.00 0.00 C ATOM 86 C LYS A 7 -2.812 -8.528 10.741 1.00 0.00 C ATOM 87 O LYS A 7 -2.243 -9.594 10.511 1.00 0.00 O ATOM 88 CB LYS A 7 -4.895 -8.405 12.228 1.00 0.00 C ATOM 89 CG LYS A 7 -5.305 -9.849 11.931 1.00 0.00 C ATOM 90 CD LYS A 7 -5.438 -10.657 13.223 1.00 0.00 C ATOM 91 CE LYS A 7 -6.694 -11.530 13.197 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.332 -12.962 13.300 1.00 0.00 N ATOM 0 H LYS A 7 -3.760 -6.229 12.604 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.955 -8.975 12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.233 -8.125 13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.385 -7.732 11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.253 -9.858 11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.564 -10.315 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.557 -11.285 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.479 -9.980 14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.352 -11.255 14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.247 -11.354 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.196 -13.541 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.722 -13.224 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.824 -13.128 14.192 1.00 0.00 H new ATOM 106 N LEU A 8 -2.990 -7.564 9.850 1.00 0.00 N ATOM 107 CA LEU A 8 -2.505 -7.706 8.487 1.00 0.00 C ATOM 108 C LEU A 8 -1.006 -8.014 8.514 1.00 0.00 C ATOM 109 O LEU A 8 -0.549 -8.949 7.858 1.00 0.00 O ATOM 110 CB LEU A 8 -2.864 -6.471 7.659 1.00 0.00 C ATOM 111 CG LEU A 8 -4.352 -6.275 7.358 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.549 -5.424 6.102 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.073 -7.621 7.258 1.00 0.00 C ATOM 0 H LEU A 8 -3.463 -6.682 10.045 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.995 -8.545 7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.500 -5.588 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.326 -6.523 6.713 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.801 -5.731 8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.615 -5.300 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.090 -4.446 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.082 -5.919 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.128 -7.453 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.630 -8.213 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.975 -8.157 8.202 1.00 0.00 H new ATOM 125 N VAL A 9 -0.283 -7.209 9.279 1.00 0.00 N ATOM 126 CA VAL A 9 1.155 -7.384 9.399 1.00 0.00 C ATOM 127 C VAL A 9 1.452 -8.802 9.892 1.00 0.00 C ATOM 128 O VAL A 9 2.254 -9.537 9.320 1.00 0.00 O ATOM 129 CB VAL A 9 1.739 -6.300 10.307 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.226 -6.549 10.571 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.512 -4.908 9.716 1.00 0.00 C ATOM 0 H VAL A 9 -0.666 -6.435 9.821 1.00 0.00 H new ATOM 0 HA VAL A 9 1.637 -7.270 8.428 1.00 0.00 H new ATOM 0 HB VAL A 9 1.217 -6.346 11.263 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.617 -5.764 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.352 -7.517 11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.769 -6.543 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.937 -4.156 10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.995 -4.844 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.442 -4.730 9.604 1.00 0.00 H new ATOM 141 N TYR A 10 0.778 -9.173 10.983 1.00 0.00 N ATOM 142 CA TYR A 10 0.949 -10.484 11.576 1.00 0.00 C ATOM 143 C TYR A 10 0.317 -11.541 10.681 1.00 0.00 C ATOM 144 O TYR A 10 0.421 -12.726 10.996 1.00 0.00 O ATOM 145 CB TYR A 10 0.313 -10.500 12.963 1.00 0.00 C ATOM 146 CG TYR A 10 0.755 -11.666 13.815 1.00 0.00 C ATOM 147 CD1 TYR A 10 0.044 -12.871 13.775 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.875 -11.541 14.646 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.453 -13.952 14.564 1.00 0.00 C ATOM 150 CE2 TYR A 10 2.285 -12.623 15.435 1.00 0.00 C ATOM 151 CZ TYR A 10 1.574 -13.828 15.394 1.00 0.00 C ATOM 152 OH TYR A 10 1.973 -14.882 16.163 1.00 0.00 O ATOM 0 H TYR A 10 0.109 -8.576 11.469 1.00 0.00 H new ATOM 0 HA TYR A 10 2.011 -10.708 11.675 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.558 -9.571 13.477 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.771 -10.529 12.856 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.821 -12.967 13.135 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.422 -10.611 14.678 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.096 -14.882 14.533 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.150 -12.528 16.075 1.00 0.00 H new ATOM 0 HH TYR A 10 2.767 -14.629 16.678 1.00 0.00 H new ATOM 162 N LYS A 11 -0.314 -11.105 9.601 1.00 0.00 N ATOM 163 CA LYS A 11 -0.951 -12.031 8.681 1.00 0.00 C ATOM 164 C LYS A 11 -0.062 -12.212 7.450 1.00 0.00 C ATOM 165 O LYS A 11 0.582 -13.241 7.255 1.00 0.00 O ATOM 166 CB LYS A 11 -2.371 -11.567 8.351 1.00 0.00 C ATOM 167 CG LYS A 11 -3.402 -12.304 9.208 1.00 0.00 C ATOM 168 CD LYS A 11 -3.919 -13.553 8.491 1.00 0.00 C ATOM 169 CE LYS A 11 -5.446 -13.542 8.403 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.925 -14.657 7.555 1.00 0.00 N ATOM 0 H LYS A 11 -0.398 -10.122 9.342 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.060 -13.012 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.455 -10.493 8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.578 -11.742 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.953 -12.587 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.235 -11.639 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.494 -13.603 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.588 -14.445 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.874 -13.627 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.785 -12.592 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.964 -14.635 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.531 -14.559 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.617 -15.562 7.965 1.00 0.00 H new ATOM 184 N TYR A 12 -0.041 -11.174 6.611 1.00 0.00 N ATOM 185 CA TYR A 12 0.751 -11.189 5.398 1.00 0.00 C ATOM 186 C TYR A 12 2.169 -11.645 5.712 1.00 0.00 C ATOM 187 O TYR A 12 2.853 -12.124 4.809 1.00 0.00 O ATOM 188 CB TYR A 12 0.757 -9.795 4.778 1.00 0.00 C ATOM 189 CG TYR A 12 -0.574 -9.392 4.189 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.943 -9.847 2.917 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.439 -8.563 4.914 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.177 -9.474 2.371 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.673 -8.190 4.368 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.042 -8.645 3.096 1.00 0.00 C ATOM 195 OH TYR A 12 -4.244 -8.282 2.564 1.00 0.00 O ATOM 0 H TYR A 12 -0.568 -10.313 6.758 1.00 0.00 H new ATOM 0 HA TYR A 12 0.316 -11.888 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.044 -9.069 5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.517 -9.756 3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.276 -10.486 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.154 -8.211 5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.462 -9.826 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.340 -7.551 4.928 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.722 -7.706 3.197 1.00 0.00 H new ATOM 205 N THR A 13 2.577 -11.493 6.963 1.00 0.00 N ATOM 206 CA THR A 13 3.913 -11.896 7.368 1.00 0.00 C ATOM 207 C THR A 13 3.982 -13.415 7.541 1.00 0.00 C ATOM 208 O THR A 13 4.873 -14.065 6.996 1.00 0.00 O ATOM 209 CB THR A 13 4.275 -11.123 8.638 1.00 0.00 C ATOM 210 OG1 THR A 13 4.354 -9.767 8.208 1.00 0.00 O ATOM 211 CG2 THR A 13 5.688 -11.440 9.133 1.00 0.00 C ATOM 0 H THR A 13 2.006 -11.096 7.710 1.00 0.00 H new ATOM 0 HA THR A 13 4.649 -11.654 6.601 1.00 0.00 H new ATOM 0 HB THR A 13 3.555 -11.355 9.422 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.482 -9.335 8.326 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.895 -10.866 10.036 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.766 -12.504 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.412 -11.176 8.362 1.00 0.00 H new ATOM 219 N ASN A 14 3.030 -13.936 8.301 1.00 0.00 N ATOM 220 CA ASN A 14 2.972 -15.366 8.552 1.00 0.00 C ATOM 221 C ASN A 14 2.818 -16.107 7.223 1.00 0.00 C ATOM 222 O ASN A 14 3.606 -16.999 6.910 1.00 0.00 O ATOM 223 CB ASN A 14 1.773 -15.722 9.433 1.00 0.00 C ATOM 224 CG ASN A 14 2.125 -15.593 10.917 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.724 -14.626 11.357 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.720 -16.619 11.660 1.00 0.00 N ATOM 0 H ASN A 14 2.293 -13.394 8.751 1.00 0.00 H new ATOM 0 HA ASN A 14 3.892 -15.657 9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.935 -15.066 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.450 -16.741 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.907 -16.628 12.663 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.223 -17.397 11.227 1.00 0.00 H new ATOM 233 N ILE A 15 1.799 -15.710 6.475 1.00 0.00 N ATOM 234 CA ILE A 15 1.532 -16.326 5.186 1.00 0.00 C ATOM 235 C ILE A 15 2.826 -16.377 4.372 1.00 0.00 C ATOM 236 O ILE A 15 3.179 -17.421 3.826 1.00 0.00 O ATOM 237 CB ILE A 15 0.386 -15.604 4.475 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.970 -16.143 4.932 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.550 -15.679 2.955 1.00 0.00 C ATOM 240 CD1 ILE A 15 -2.028 -15.037 4.936 1.00 0.00 C ATOM 0 H ILE A 15 1.148 -14.969 6.737 1.00 0.00 H new ATOM 0 HA ILE A 15 1.197 -17.355 5.317 1.00 0.00 H new ATOM 0 HB ILE A 15 0.423 -14.550 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.286 -16.950 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.878 -16.567 5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.278 -15.158 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.491 -15.210 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.554 -16.723 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.983 -15.448 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.721 -14.242 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.135 -14.632 3.930 1.00 0.00 H new ATOM 252 N ALA A 16 3.499 -15.237 4.318 1.00 0.00 N ATOM 253 CA ALA A 16 4.747 -15.139 3.580 1.00 0.00 C ATOM 254 C ALA A 16 5.761 -16.122 4.168 1.00 0.00 C ATOM 255 O ALA A 16 6.364 -16.908 3.439 1.00 0.00 O ATOM 256 CB ALA A 16 5.248 -13.694 3.614 1.00 0.00 C ATOM 0 H ALA A 16 3.204 -14.373 4.773 1.00 0.00 H new ATOM 0 HA ALA A 16 4.597 -15.407 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.184 -13.620 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.504 -13.040 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.413 -13.390 4.648 1.00 0.00 H new ATOM 262 N HIS A 17 5.918 -16.046 5.481 1.00 0.00 N ATOM 263 CA HIS A 17 6.848 -16.919 6.176 1.00 0.00 C ATOM 264 C HIS A 17 6.476 -18.379 5.912 1.00 0.00 C ATOM 265 O HIS A 17 7.340 -19.255 5.915 1.00 0.00 O ATOM 266 CB HIS A 17 6.902 -16.580 7.667 1.00 0.00 C ATOM 267 CG HIS A 17 8.028 -17.258 8.410 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.359 -16.938 8.209 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.007 -18.240 9.357 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.097 -17.699 9.003 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.258 -18.506 9.713 1.00 0.00 N ATOM 0 H HIS A 17 5.416 -15.393 6.082 1.00 0.00 H new ATOM 0 HA HIS A 17 7.856 -16.762 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.004 -15.501 7.780 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.955 -16.861 8.128 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.712 -16.235 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.123 -18.720 9.750 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.174 -17.683 9.075 1.00 0.00 H new ATOM 279 N SER A 18 5.188 -18.597 5.692 1.00 0.00 N ATOM 280 CA SER A 18 4.690 -19.937 5.427 1.00 0.00 C ATOM 281 C SER A 18 5.139 -20.397 4.039 1.00 0.00 C ATOM 282 O SER A 18 5.219 -21.596 3.775 1.00 0.00 O ATOM 283 CB SER A 18 3.164 -19.988 5.536 1.00 0.00 C ATOM 284 OG SER A 18 2.664 -21.316 5.400 1.00 0.00 O ATOM 0 H SER A 18 4.474 -17.869 5.692 1.00 0.00 H new ATOM 0 HA SER A 18 5.104 -20.611 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.855 -19.581 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.724 -19.354 4.766 1.00 0.00 H new ATOM 0 HG SER A 18 1.687 -21.307 5.477 1.00 0.00 H new ATOM 290 N ALA A 19 5.421 -19.421 3.189 1.00 0.00 N ATOM 291 CA ALA A 19 5.860 -19.712 1.835 1.00 0.00 C ATOM 292 C ALA A 19 7.382 -19.872 1.821 1.00 0.00 C ATOM 293 O ALA A 19 7.913 -20.722 1.108 1.00 0.00 O ATOM 294 CB ALA A 19 5.382 -18.604 0.894 1.00 0.00 C ATOM 0 H ALA A 19 5.354 -18.428 3.412 1.00 0.00 H new ATOM 0 HA ALA A 19 5.426 -20.648 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.711 -18.822 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.294 -18.550 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.800 -17.650 1.214 1.00 0.00 H new ATOM 300 N ASN A 20 8.040 -19.041 2.616 1.00 0.00 N ATOM 301 CA ASN A 20 9.490 -19.080 2.704 1.00 0.00 C ATOM 302 C ASN A 20 9.914 -18.874 4.159 1.00 0.00 C ATOM 303 O ASN A 20 9.493 -17.939 4.835 1.00 0.00 O ATOM 304 CB ASN A 20 10.123 -17.968 1.865 1.00 0.00 C ATOM 305 CG ASN A 20 9.178 -16.771 1.740 1.00 0.00 C ATOM 306 OD1 ASN A 20 8.886 -16.287 0.659 1.00 0.00 O ATOM 307 ND2 ASN A 20 8.720 -16.320 2.905 1.00 0.00 N ATOM 0 H ASN A 20 7.596 -18.337 3.205 1.00 0.00 H new ATOM 0 HA ASN A 20 9.824 -20.048 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.060 -17.650 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.366 -18.349 0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.084 -15.523 2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.004 -16.772 3.774 1.00 0.00 H new ATOM 314 N PRO A 21 10.771 -19.783 4.631 1.00 0.00 N ATOM 315 CA PRO A 21 11.304 -19.780 5.976 1.00 0.00 C ATOM 316 C PRO A 21 12.520 -18.867 6.042 1.00 0.00 C ATOM 317 O PRO A 21 13.498 -19.226 6.695 1.00 0.00 O ATOM 318 CB PRO A 21 11.695 -21.232 6.246 1.00 0.00 C ATOM 319 CG PRO A 21 12.225 -21.632 4.817 1.00 0.00 C ATOM 320 CD PRO A 21 11.287 -20.895 3.863 1.00 0.00 C ATOM 0 HA PRO A 21 10.590 -19.413 6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.460 -21.323 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.849 -21.841 6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.262 -21.327 4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.186 -22.710 4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.818 -20.550 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.482 -21.545 3.520 1.00 0.00 H new ATOM 328 N MET A 22 12.440 -17.724 5.377 1.00 0.00 N ATOM 329 CA MET A 22 13.546 -16.781 5.373 1.00 0.00 C ATOM 330 C MET A 22 13.039 -15.340 5.443 1.00 0.00 C ATOM 331 O MET A 22 13.629 -14.412 4.894 1.00 0.00 O ATOM 332 CB MET A 22 14.374 -16.970 4.101 1.00 0.00 C ATOM 333 CG MET A 22 13.506 -16.802 2.852 1.00 0.00 C ATOM 334 SD MET A 22 14.505 -16.230 1.487 1.00 0.00 S ATOM 335 CE MET A 22 13.461 -14.922 0.867 1.00 0.00 C ATOM 0 H MET A 22 11.626 -17.429 4.837 1.00 0.00 H new ATOM 0 HA MET A 22 14.164 -16.971 6.251 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.189 -16.246 4.082 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.828 -17.961 4.102 1.00 0.00 H new ATOM 0 HG2 MET A 22 13.035 -17.751 2.596 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.704 -16.091 3.049 1.00 0.00 H new ATOM 0 HE1 MET A 22 13.937 -14.453 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 22 12.498 -15.336 0.568 1.00 0.00 H new ATOM 0 HE3 MET A 22 13.309 -14.177 1.648 1.00 0.00 H new ATOM 345 N TYR A 23 11.913 -15.171 6.140 1.00 0.00 N ATOM 346 CA TYR A 23 11.302 -13.867 6.299 1.00 0.00 C ATOM 347 C TYR A 23 10.498 -13.827 7.591 1.00 0.00 C ATOM 348 O TYR A 23 9.478 -14.509 7.677 1.00 0.00 O ATOM 349 CB TYR A 23 10.409 -13.575 5.097 1.00 0.00 C ATOM 350 CG TYR A 23 9.762 -12.211 5.142 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.541 -11.062 4.965 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.384 -12.097 5.361 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.942 -9.797 5.008 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.785 -10.832 5.404 1.00 0.00 C ATOM 355 CZ TYR A 23 8.564 -9.682 5.228 1.00 0.00 C ATOM 356 OH TYR A 23 7.980 -8.450 5.270 1.00 0.00 O ATOM 0 H TYR A 23 11.411 -15.929 6.602 1.00 0.00 H new ATOM 0 HA TYR A 23 12.077 -13.103 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.002 -13.657 4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.630 -14.336 5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.604 -11.151 4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.783 -12.984 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.543 -8.910 4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.722 -10.743 5.573 1.00 0.00 H new ATOM 0 HH TYR A 23 7.018 -8.549 5.430 1.00 0.00 H new ATOM 366 N GLU A 24 10.961 -13.045 8.554 1.00 0.00 N ATOM 367 CA GLU A 24 10.268 -12.934 9.827 1.00 0.00 C ATOM 368 C GLU A 24 9.298 -11.752 9.803 1.00 0.00 C ATOM 369 O GLU A 24 8.139 -11.887 10.191 1.00 0.00 O ATOM 370 CB GLU A 24 11.262 -12.805 10.983 1.00 0.00 C ATOM 371 CG GLU A 24 11.875 -14.162 11.334 1.00 0.00 C ATOM 372 CD GLU A 24 11.180 -14.779 12.550 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.935 -14.875 12.504 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.911 -15.140 13.498 1.00 0.00 O ATOM 0 H GLU A 24 11.808 -12.482 8.479 1.00 0.00 H new ATOM 0 HA GLU A 24 9.693 -13.846 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.052 -12.105 10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.757 -12.393 11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.789 -14.835 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.939 -14.042 11.540 1.00 0.00 H new ATOM 381 N ALA A 25 9.808 -10.618 9.343 1.00 0.00 N ATOM 382 CA ALA A 25 9.001 -9.413 9.264 1.00 0.00 C ATOM 383 C ALA A 25 9.711 -8.387 8.378 1.00 0.00 C ATOM 384 O ALA A 25 10.830 -8.590 7.912 1.00 0.00 O ATOM 385 CB ALA A 25 8.736 -8.882 10.674 1.00 0.00 C ATOM 0 H ALA A 25 10.770 -10.509 9.022 1.00 0.00 H new ATOM 0 HA ALA A 25 8.034 -9.628 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.130 -7.978 10.614 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.205 -9.637 11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.684 -8.652 11.160 1.00 0.00 H new ATOM 391 N PRO A 26 9.026 -7.263 8.155 1.00 0.00 N ATOM 392 CA PRO A 26 9.506 -6.161 7.350 1.00 0.00 C ATOM 393 C PRO A 26 10.634 -5.448 8.081 1.00 0.00 C ATOM 394 O PRO A 26 11.056 -5.927 9.133 1.00 0.00 O ATOM 395 CB PRO A 26 8.297 -5.243 7.182 1.00 0.00 C ATOM 396 CG PRO A 26 7.036 -6.104 7.642 1.00 0.00 C ATOM 397 CD PRO A 26 7.708 -6.991 8.688 1.00 0.00 C ATOM 0 HA PRO A 26 9.903 -6.481 6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.400 -4.344 7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.193 -4.918 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.240 -5.490 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.599 -6.677 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.768 -6.488 9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.147 -7.912 8.844 1.00 0.00 H new ATOM 405 N SER A 27 11.097 -4.339 7.523 1.00 0.00 N ATOM 406 CA SER A 27 12.175 -3.584 8.140 1.00 0.00 C ATOM 407 C SER A 27 12.026 -2.097 7.811 1.00 0.00 C ATOM 408 O SER A 27 12.990 -1.339 7.902 1.00 0.00 O ATOM 409 CB SER A 27 13.540 -4.096 7.677 1.00 0.00 C ATOM 410 OG SER A 27 14.281 -4.680 8.746 1.00 0.00 O ATOM 0 H SER A 27 10.745 -3.945 6.650 1.00 0.00 H new ATOM 0 HA SER A 27 12.114 -3.719 9.220 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.402 -4.833 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.110 -3.272 7.248 1.00 0.00 H new ATOM 0 HG SER A 27 15.146 -4.996 8.410 1.00 0.00 H new ATOM 416 N ILE A 28 10.811 -1.725 7.437 1.00 0.00 N ATOM 417 CA ILE A 28 10.524 -0.342 7.094 1.00 0.00 C ATOM 418 C ILE A 28 11.676 0.221 6.260 1.00 0.00 C ATOM 419 O ILE A 28 12.184 1.304 6.547 1.00 0.00 O ATOM 420 CB ILE A 28 10.224 0.471 8.355 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.375 0.372 9.358 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.888 0.051 8.972 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.109 1.247 10.585 1.00 0.00 C ATOM 0 H ILE A 28 10.014 -2.357 7.364 1.00 0.00 H new ATOM 0 HA ILE A 28 9.625 -0.280 6.481 1.00 0.00 H new ATOM 0 HB ILE A 28 10.133 1.520 8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.504 -0.665 9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.305 0.681 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.698 0.644 9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.087 0.215 8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.926 -1.005 9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.942 1.159 11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.004 2.287 10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.191 0.920 11.073 1.00 0.00 H new ATOM 435 N THR A 29 12.054 -0.539 5.242 1.00 0.00 N ATOM 436 CA THR A 29 13.137 -0.128 4.364 1.00 0.00 C ATOM 437 C THR A 29 12.945 -0.724 2.968 1.00 0.00 C ATOM 438 O THR A 29 13.916 -1.083 2.303 1.00 0.00 O ATOM 439 CB THR A 29 14.458 -0.533 5.021 1.00 0.00 C ATOM 440 OG1 THR A 29 14.449 0.152 6.270 1.00 0.00 O ATOM 441 CG2 THR A 29 15.675 0.040 4.291 1.00 0.00 C ATOM 0 H THR A 29 11.630 -1.436 5.006 1.00 0.00 H new ATOM 0 HA THR A 29 13.145 0.953 4.224 1.00 0.00 H new ATOM 0 HB THR A 29 14.530 -1.620 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.117 -0.448 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.586 -0.277 4.798 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.687 -0.322 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.620 1.129 4.291 1.00 0.00 H new ATOM 449 N ASP A 30 11.686 -0.810 2.564 1.00 0.00 N ATOM 450 CA ASP A 30 11.354 -1.355 1.259 1.00 0.00 C ATOM 451 C ASP A 30 10.188 -0.566 0.662 1.00 0.00 C ATOM 452 O ASP A 30 10.232 -0.170 -0.502 1.00 0.00 O ATOM 453 CB ASP A 30 10.928 -2.821 1.366 1.00 0.00 C ATOM 454 CG ASP A 30 10.886 -3.581 0.040 1.00 0.00 C ATOM 455 OD1 ASP A 30 9.811 -3.551 -0.598 1.00 0.00 O ATOM 456 OD2 ASP A 30 11.930 -4.176 -0.307 1.00 0.00 O ATOM 0 H ASP A 30 10.883 -0.511 3.118 1.00 0.00 H new ATOM 0 HA ASP A 30 12.240 -1.282 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.614 -3.334 2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.940 -2.864 1.823 1.00 0.00 H new ATOM 461 N GLY A 31 9.171 -0.360 1.487 1.00 0.00 N ATOM 462 CA GLY A 31 7.995 0.375 1.055 1.00 0.00 C ATOM 463 C GLY A 31 8.387 1.692 0.382 1.00 0.00 C ATOM 464 O GLY A 31 7.626 2.238 -0.415 1.00 0.00 O ATOM 0 H GLY A 31 9.138 -0.689 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.416 -0.234 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.353 0.578 1.912 1.00 0.00 H new ATOM 468 N LYS A 32 9.575 2.165 0.729 1.00 0.00 N ATOM 469 CA LYS A 32 10.078 3.408 0.169 1.00 0.00 C ATOM 470 C LYS A 32 10.527 3.168 -1.274 1.00 0.00 C ATOM 471 O LYS A 32 10.266 3.986 -2.154 1.00 0.00 O ATOM 472 CB LYS A 32 11.172 3.995 1.063 1.00 0.00 C ATOM 473 CG LYS A 32 12.389 3.069 1.121 1.00 0.00 C ATOM 474 CD LYS A 32 13.438 3.477 0.085 1.00 0.00 C ATOM 475 CE LYS A 32 14.809 2.895 0.435 1.00 0.00 C ATOM 476 NZ LYS A 32 15.866 3.913 0.249 1.00 0.00 N ATOM 0 H LYS A 32 10.204 1.710 1.391 1.00 0.00 H new ATOM 0 HA LYS A 32 9.288 4.158 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.472 4.972 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.781 4.150 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.827 3.100 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.077 2.040 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.133 3.131 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.502 4.564 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.810 2.546 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.015 2.029 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.790 3.502 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.875 4.227 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.677 4.727 0.868 1.00 0.00 H new ATOM 490 N ILE A 33 11.195 2.041 -1.472 1.00 0.00 N ATOM 491 CA ILE A 33 11.683 1.682 -2.793 1.00 0.00 C ATOM 492 C ILE A 33 10.596 0.907 -3.540 1.00 0.00 C ATOM 493 O ILE A 33 10.840 0.377 -4.623 1.00 0.00 O ATOM 494 CB ILE A 33 13.012 0.932 -2.688 1.00 0.00 C ATOM 495 CG1 ILE A 33 14.162 1.771 -3.248 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.922 -0.440 -3.361 1.00 0.00 C ATOM 497 CD1 ILE A 33 13.805 2.341 -4.623 1.00 0.00 C ATOM 0 H ILE A 33 11.410 1.364 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 33 11.895 2.577 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 33 13.224 0.760 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.391 2.586 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 33 15.060 1.158 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.880 -0.952 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.147 -1.033 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.675 -0.313 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 33 14.639 2.933 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.600 1.523 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.921 2.973 -4.537 1.00 0.00 H new ATOM 509 N PHE A 34 9.420 0.864 -2.931 1.00 0.00 N ATOM 510 CA PHE A 34 8.295 0.162 -3.525 1.00 0.00 C ATOM 511 C PHE A 34 7.071 1.075 -3.626 1.00 0.00 C ATOM 512 O PHE A 34 5.936 0.608 -3.543 1.00 0.00 O ATOM 513 CB PHE A 34 7.965 -1.014 -2.605 1.00 0.00 C ATOM 514 CG PHE A 34 6.755 -1.835 -3.053 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.836 -2.614 -4.165 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.597 -1.786 -2.341 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.713 -3.376 -4.582 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.474 -2.549 -2.757 1.00 0.00 C ATOM 519 CZ PHE A 34 4.556 -3.328 -3.869 1.00 0.00 C ATOM 0 H PHE A 34 9.222 1.304 -2.032 1.00 0.00 H new ATOM 0 HA PHE A 34 8.552 -0.169 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.834 -1.670 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.782 -0.635 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.755 -2.653 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.532 -1.166 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.778 -3.994 -5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.555 -2.511 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.702 -3.908 -4.186 1.00 0.00 H new ATOM 529 N PHE A 35 7.343 2.359 -3.805 1.00 0.00 N ATOM 530 CA PHE A 35 6.278 3.341 -3.918 1.00 0.00 C ATOM 531 C PHE A 35 6.671 4.469 -4.875 1.00 0.00 C ATOM 532 O PHE A 35 5.851 4.930 -5.667 1.00 0.00 O ATOM 533 CB PHE A 35 6.059 3.927 -2.522 1.00 0.00 C ATOM 534 CG PHE A 35 4.839 4.843 -2.415 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.603 4.370 -2.730 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.990 6.132 -2.007 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.471 5.221 -2.632 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.857 6.983 -1.909 1.00 0.00 C ATOM 539 CZ PHE A 35 2.622 6.509 -2.223 1.00 0.00 C ATOM 0 H PHE A 35 8.286 2.742 -3.875 1.00 0.00 H new ATOM 0 HA PHE A 35 5.376 2.868 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.950 3.110 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.948 4.487 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.483 3.347 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.971 6.508 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.490 4.845 -2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.977 8.006 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.760 7.156 -2.148 1.00 0.00 H new ATOM 549 N ASN A 36 7.926 4.880 -4.769 1.00 0.00 N ATOM 550 CA ASN A 36 8.438 5.945 -5.615 1.00 0.00 C ATOM 551 C ASN A 36 9.253 5.335 -6.758 1.00 0.00 C ATOM 552 O ASN A 36 9.705 6.049 -7.652 1.00 0.00 O ATOM 553 CB ASN A 36 9.356 6.882 -4.827 1.00 0.00 C ATOM 554 CG ASN A 36 8.588 7.587 -3.707 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.136 8.711 -3.842 1.00 0.00 O ATOM 556 ND2 ASN A 36 8.467 6.864 -2.596 1.00 0.00 N ATOM 0 H ASN A 36 8.603 4.495 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 36 7.588 6.511 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.184 6.314 -4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.788 7.623 -5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.971 7.246 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.870 5.928 -2.550 1.00 0.00 H new ATOM 563 N ARG A 37 9.418 4.023 -6.690 1.00 0.00 N ATOM 564 CA ARG A 37 10.171 3.309 -7.707 1.00 0.00 C ATOM 565 C ARG A 37 9.417 3.331 -9.039 1.00 0.00 C ATOM 566 O ARG A 37 8.531 2.510 -9.268 1.00 0.00 O ATOM 567 CB ARG A 37 10.418 1.857 -7.293 1.00 0.00 C ATOM 568 CG ARG A 37 11.599 1.261 -8.061 1.00 0.00 C ATOM 569 CD ARG A 37 12.139 0.016 -7.355 1.00 0.00 C ATOM 570 NE ARG A 37 13.052 -0.722 -8.257 1.00 0.00 N ATOM 571 CZ ARG A 37 14.270 -0.289 -8.611 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.729 0.879 -8.141 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.029 -1.024 -9.435 1.00 0.00 N ATOM 0 H ARG A 37 9.043 3.435 -5.946 1.00 0.00 H new ATOM 0 HA ARG A 37 11.132 3.811 -7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.615 1.809 -6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.522 1.265 -7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.287 1.003 -9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.391 2.004 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.667 0.304 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.313 -0.628 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 37 12.734 -1.616 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.151 1.439 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.656 1.208 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.680 -1.913 -9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.956 -0.694 -9.704 1.00 0.00 H new ATOM 587 N LYS A 38 9.798 4.280 -9.882 1.00 0.00 N ATOM 588 CA LYS A 38 9.169 4.420 -11.184 1.00 0.00 C ATOM 589 C LYS A 38 9.267 3.093 -11.938 1.00 0.00 C ATOM 590 O LYS A 38 10.312 2.772 -12.503 1.00 0.00 O ATOM 591 CB LYS A 38 9.769 5.605 -11.944 1.00 0.00 C ATOM 592 CG LYS A 38 9.182 5.707 -13.353 1.00 0.00 C ATOM 593 CD LYS A 38 8.064 6.750 -13.408 1.00 0.00 C ATOM 594 CE LYS A 38 8.635 8.168 -13.348 1.00 0.00 C ATOM 595 NZ LYS A 38 9.786 8.303 -14.269 1.00 0.00 N ATOM 0 H LYS A 38 10.534 4.959 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 38 8.109 4.646 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.575 6.528 -11.398 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.851 5.492 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.968 5.974 -14.060 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.794 4.736 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.489 6.624 -14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.376 6.595 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.862 8.889 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.948 8.398 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.885 9.297 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.654 7.995 -13.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.629 7.712 -15.110 1.00 0.00 H new ATOM 609 N PHE A 39 8.165 2.357 -11.923 1.00 0.00 N ATOM 610 CA PHE A 39 8.114 1.071 -12.598 1.00 0.00 C ATOM 611 C PHE A 39 7.286 1.159 -13.882 1.00 0.00 C ATOM 612 O PHE A 39 6.511 2.097 -14.062 1.00 0.00 O ATOM 613 CB PHE A 39 7.443 0.088 -11.638 1.00 0.00 C ATOM 614 CG PHE A 39 6.055 0.527 -11.168 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.977 0.361 -11.981 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.898 1.084 -9.937 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.689 0.769 -11.545 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.610 1.491 -9.500 1.00 0.00 C ATOM 619 CZ PHE A 39 3.532 1.325 -10.314 1.00 0.00 C ATOM 0 H PHE A 39 7.300 2.627 -11.454 1.00 0.00 H new ATOM 0 HA PHE A 39 9.121 0.752 -12.868 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.360 -0.882 -12.127 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.084 -0.048 -10.767 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.101 -0.081 -12.958 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.754 1.217 -9.292 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.834 0.638 -12.191 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.486 1.932 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.552 1.635 -9.982 1.00 0.00 H new ATOM 629 N LYS A 40 7.479 0.169 -14.741 1.00 0.00 N ATOM 630 CA LYS A 40 6.759 0.123 -16.002 1.00 0.00 C ATOM 631 C LYS A 40 5.639 -0.915 -15.907 1.00 0.00 C ATOM 632 O LYS A 40 5.732 -1.866 -15.133 1.00 0.00 O ATOM 633 CB LYS A 40 7.726 -0.122 -17.162 1.00 0.00 C ATOM 634 CG LYS A 40 7.219 0.537 -18.447 1.00 0.00 C ATOM 635 CD LYS A 40 7.890 -0.075 -19.678 1.00 0.00 C ATOM 636 CE LYS A 40 9.230 0.604 -19.968 1.00 0.00 C ATOM 637 NZ LYS A 40 9.386 0.845 -21.420 1.00 0.00 N ATOM 0 H LYS A 40 8.123 -0.607 -14.589 1.00 0.00 H new ATOM 0 HA LYS A 40 6.288 1.084 -16.207 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.710 0.274 -16.910 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.845 -1.194 -17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.138 0.416 -18.520 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.419 1.608 -18.414 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.046 -1.142 -19.519 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.233 0.025 -20.542 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.290 1.549 -19.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.047 -0.021 -19.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.301 1.306 -21.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.350 -0.062 -21.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.617 1.460 -21.754 1.00 0.00 H new ATOM 651 N THR A 41 4.604 -0.696 -16.706 1.00 0.00 N ATOM 652 CA THR A 41 3.467 -1.601 -16.722 1.00 0.00 C ATOM 653 C THR A 41 3.454 -2.419 -18.014 1.00 0.00 C ATOM 654 O THR A 41 3.965 -2.007 -19.053 1.00 0.00 O ATOM 655 CB THR A 41 2.199 -0.769 -16.516 1.00 0.00 C ATOM 656 OG1 THR A 41 2.105 0.019 -17.700 1.00 0.00 O ATOM 657 CG2 THR A 41 2.349 0.260 -15.394 1.00 0.00 C ATOM 0 H THR A 41 4.529 0.094 -17.346 1.00 0.00 H new ATOM 0 HA THR A 41 3.530 -2.330 -15.914 1.00 0.00 H new ATOM 0 HB THR A 41 1.363 -1.431 -16.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.317 0.952 -17.489 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.421 0.823 -15.290 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.570 -0.252 -14.458 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.163 0.944 -15.634 1.00 0.00 H new ATOM 665 N PRO A 42 2.849 -3.606 -17.925 1.00 0.00 N ATOM 666 CA PRO A 42 2.719 -4.540 -19.022 1.00 0.00 C ATOM 667 C PRO A 42 1.837 -3.936 -20.106 1.00 0.00 C ATOM 668 O PRO A 42 1.729 -4.525 -21.180 1.00 0.00 O ATOM 669 CB PRO A 42 2.064 -5.776 -18.409 1.00 0.00 C ATOM 670 CG PRO A 42 1.238 -5.170 -17.202 1.00 0.00 C ATOM 671 CD PRO A 42 2.237 -4.122 -16.719 1.00 0.00 C ATOM 0 HA PRO A 42 3.674 -4.782 -19.488 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.420 -6.289 -19.123 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.804 -6.500 -18.070 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.291 -4.732 -17.519 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.006 -5.912 -16.438 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.739 -3.330 -16.159 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.981 -4.562 -16.056 1.00 0.00 H new ATOM 679 N SER A 43 1.232 -2.794 -19.811 1.00 0.00 N ATOM 680 CA SER A 43 0.367 -2.135 -20.775 1.00 0.00 C ATOM 681 C SER A 43 1.087 -0.933 -21.388 1.00 0.00 C ATOM 682 O SER A 43 0.457 0.069 -21.722 1.00 0.00 O ATOM 683 CB SER A 43 -0.945 -1.694 -20.125 1.00 0.00 C ATOM 684 OG SER A 43 -0.922 -0.317 -19.757 1.00 0.00 O ATOM 0 H SER A 43 1.324 -2.309 -18.919 1.00 0.00 H new ATOM 0 HA SER A 43 0.128 -2.848 -21.564 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.769 -1.871 -20.816 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.134 -2.303 -19.241 1.00 0.00 H new ATOM 0 HG SER A 43 -0.872 0.237 -20.564 1.00 0.00 H new ATOM 690 N GLY A 44 2.399 -1.072 -21.518 1.00 0.00 N ATOM 691 CA GLY A 44 3.211 -0.009 -22.085 1.00 0.00 C ATOM 692 C GLY A 44 2.719 1.364 -21.622 1.00 0.00 C ATOM 693 O GLY A 44 2.034 2.065 -22.366 1.00 0.00 O ATOM 0 H GLY A 44 2.919 -1.904 -21.240 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.252 -0.145 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.179 -0.063 -23.173 1.00 0.00 H new ATOM 697 N LYS A 45 3.088 1.707 -20.396 1.00 0.00 N ATOM 698 CA LYS A 45 2.692 2.983 -19.826 1.00 0.00 C ATOM 699 C LYS A 45 3.263 3.103 -18.411 1.00 0.00 C ATOM 700 O LYS A 45 2.609 2.726 -17.440 1.00 0.00 O ATOM 701 CB LYS A 45 1.173 3.152 -19.892 1.00 0.00 C ATOM 702 CG LYS A 45 0.720 4.368 -19.080 1.00 0.00 C ATOM 703 CD LYS A 45 -0.010 5.378 -19.967 1.00 0.00 C ATOM 704 CE LYS A 45 -0.705 6.447 -19.122 1.00 0.00 C ATOM 705 NZ LYS A 45 0.290 7.366 -18.527 1.00 0.00 N ATOM 0 H LYS A 45 3.657 1.123 -19.782 1.00 0.00 H new ATOM 0 HA LYS A 45 3.106 3.805 -20.409 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.861 3.267 -20.930 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.687 2.254 -19.511 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.063 4.046 -18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.585 4.843 -18.617 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.699 5.851 -20.646 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.746 4.861 -20.583 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.404 7.010 -19.740 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.288 5.973 -18.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.199 8.085 -17.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.941 6.827 -17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.828 7.832 -19.285 1.00 0.00 H new ATOM 719 N GLU A 46 4.476 3.630 -18.340 1.00 0.00 N ATOM 720 CA GLU A 46 5.142 3.805 -17.060 1.00 0.00 C ATOM 721 C GLU A 46 4.179 4.412 -16.039 1.00 0.00 C ATOM 722 O GLU A 46 3.237 5.112 -16.408 1.00 0.00 O ATOM 723 CB GLU A 46 6.398 4.665 -17.209 1.00 0.00 C ATOM 724 CG GLU A 46 6.034 6.116 -17.531 1.00 0.00 C ATOM 725 CD GLU A 46 6.700 7.080 -16.546 1.00 0.00 C ATOM 726 OE1 GLU A 46 7.934 7.244 -16.659 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.960 7.631 -15.703 1.00 0.00 O ATOM 0 H GLU A 46 5.015 3.942 -19.148 1.00 0.00 H new ATOM 0 HA GLU A 46 5.454 2.825 -16.698 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.980 4.628 -16.288 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.028 4.260 -18.001 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.346 6.356 -18.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.952 6.241 -17.492 1.00 0.00 H new ATOM 734 N ALA A 47 4.448 4.123 -14.774 1.00 0.00 N ATOM 735 CA ALA A 47 3.617 4.632 -13.697 1.00 0.00 C ATOM 736 C ALA A 47 4.393 4.558 -12.381 1.00 0.00 C ATOM 737 O ALA A 47 5.597 4.306 -12.380 1.00 0.00 O ATOM 738 CB ALA A 47 2.307 3.843 -13.646 1.00 0.00 C ATOM 0 H ALA A 47 5.230 3.543 -14.471 1.00 0.00 H new ATOM 0 HA ALA A 47 3.362 5.677 -13.871 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.683 4.225 -12.838 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.780 3.952 -14.594 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.524 2.789 -13.470 1.00 0.00 H new ATOM 744 N ALA A 48 3.673 4.783 -11.292 1.00 0.00 N ATOM 745 CA ALA A 48 4.279 4.745 -9.972 1.00 0.00 C ATOM 746 C ALA A 48 3.185 4.862 -8.909 1.00 0.00 C ATOM 747 O ALA A 48 2.098 5.366 -9.186 1.00 0.00 O ATOM 748 CB ALA A 48 5.324 5.856 -9.858 1.00 0.00 C ATOM 0 H ALA A 48 2.675 4.992 -11.297 1.00 0.00 H new ATOM 0 HA ALA A 48 4.792 3.797 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.779 5.828 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.094 5.710 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.845 6.823 -10.010 1.00 0.00 H new ATOM 754 N CYS A 49 3.510 4.387 -7.716 1.00 0.00 N ATOM 755 CA CYS A 49 2.569 4.432 -6.610 1.00 0.00 C ATOM 756 C CYS A 49 2.457 5.881 -6.133 1.00 0.00 C ATOM 757 O CYS A 49 1.583 6.209 -5.332 1.00 0.00 O ATOM 758 CB CYS A 49 2.979 3.488 -5.478 1.00 0.00 C ATOM 759 SG CYS A 49 3.282 1.758 -5.993 1.00 0.00 S ATOM 0 H CYS A 49 4.413 3.969 -7.491 1.00 0.00 H new ATOM 0 HA CYS A 49 1.592 4.085 -6.947 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.883 3.876 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.198 3.494 -4.718 1.00 0.00 H new ATOM 764 N ALA A 50 3.355 6.710 -6.645 1.00 0.00 N ATOM 765 CA ALA A 50 3.369 8.117 -6.281 1.00 0.00 C ATOM 766 C ALA A 50 2.741 8.937 -7.409 1.00 0.00 C ATOM 767 O ALA A 50 2.675 10.163 -7.328 1.00 0.00 O ATOM 768 CB ALA A 50 4.803 8.551 -5.973 1.00 0.00 C ATOM 0 H ALA A 50 4.078 6.434 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 50 2.777 8.286 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.813 9.606 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.193 7.958 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.427 8.398 -6.854 1.00 0.00 H new ATOM 774 N SER A 51 2.294 8.228 -8.436 1.00 0.00 N ATOM 775 CA SER A 51 1.674 8.875 -9.579 1.00 0.00 C ATOM 776 C SER A 51 0.207 9.184 -9.273 1.00 0.00 C ATOM 777 O SER A 51 -0.426 9.968 -9.979 1.00 0.00 O ATOM 778 CB SER A 51 1.783 8.004 -10.832 1.00 0.00 C ATOM 779 OG SER A 51 2.608 8.602 -11.828 1.00 0.00 O ATOM 0 H SER A 51 2.349 7.211 -8.500 1.00 0.00 H new ATOM 0 HA SER A 51 2.203 9.808 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.190 7.029 -10.562 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.788 7.832 -11.241 1.00 0.00 H new ATOM 0 HG SER A 51 2.654 8.014 -12.611 1.00 0.00 H new ATOM 785 N CYS A 52 -0.291 8.550 -8.221 1.00 0.00 N ATOM 786 CA CYS A 52 -1.672 8.747 -7.814 1.00 0.00 C ATOM 787 C CYS A 52 -1.688 9.092 -6.323 1.00 0.00 C ATOM 788 O CYS A 52 -2.342 10.045 -5.904 1.00 0.00 O ATOM 789 CB CYS A 52 -2.534 7.523 -8.126 1.00 0.00 C ATOM 790 SG CYS A 52 -2.987 7.512 -9.899 1.00 0.00 S ATOM 0 H CYS A 52 0.237 7.900 -7.639 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.108 9.570 -8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.991 6.612 -7.875 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.435 7.536 -7.512 1.00 0.00 H new ATOM 795 N HIS A 53 -0.953 8.291 -5.551 1.00 0.00 N ATOM 796 CA HIS A 53 -0.846 8.463 -4.107 1.00 0.00 C ATOM 797 C HIS A 53 0.333 9.398 -3.780 1.00 0.00 C ATOM 798 O HIS A 53 0.806 9.424 -2.645 1.00 0.00 O ATOM 799 CB HIS A 53 -0.756 7.079 -3.447 1.00 0.00 C ATOM 800 CG HIS A 53 -1.849 6.092 -3.787 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.132 6.306 -3.481 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.805 4.873 -4.419 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.859 5.261 -3.907 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.089 4.347 -4.493 1.00 0.00 N ATOM 0 H HIS A 53 -0.415 7.504 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.731 8.949 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.201 6.634 -3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.747 7.218 -2.366 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.499 7.129 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.912 4.398 -4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.929 5.173 -3.790 1.00 0.00 H new ATOM 812 N THR A 54 0.767 10.137 -4.790 1.00 0.00 N ATOM 813 CA THR A 54 1.874 11.064 -4.619 1.00 0.00 C ATOM 814 C THR A 54 3.051 10.367 -3.934 1.00 0.00 C ATOM 815 O THR A 54 2.928 9.228 -3.486 1.00 0.00 O ATOM 816 CB THR A 54 1.357 12.281 -3.849 1.00 0.00 C ATOM 817 OG1 THR A 54 0.836 11.732 -2.642 1.00 0.00 O ATOM 818 CG2 THR A 54 0.142 12.925 -4.520 1.00 0.00 C ATOM 0 H THR A 54 0.372 10.113 -5.730 1.00 0.00 H new ATOM 0 HA THR A 54 2.255 11.408 -5.581 1.00 0.00 H new ATOM 0 HB THR A 54 2.155 13.018 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.518 11.778 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.185 13.784 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.412 13.253 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.668 12.198 -4.581 1.00 0.00 H new ATOM 826 N ASN A 55 4.166 11.080 -3.874 1.00 0.00 N ATOM 827 CA ASN A 55 5.365 10.545 -3.252 1.00 0.00 C ATOM 828 C ASN A 55 5.049 10.142 -1.810 1.00 0.00 C ATOM 829 O ASN A 55 5.729 9.293 -1.236 1.00 0.00 O ATOM 830 CB ASN A 55 6.481 11.590 -3.217 1.00 0.00 C ATOM 831 CG ASN A 55 6.037 12.842 -2.457 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.005 12.882 -1.238 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.696 13.859 -3.243 1.00 0.00 N ATOM 0 H ASN A 55 4.264 12.025 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 55 5.694 9.686 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.366 11.166 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.764 11.859 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.385 14.739 -2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.746 13.759 -4.257 1.00 0.00 H new ATOM 840 N ASN A 56 4.017 10.771 -1.266 1.00 0.00 N ATOM 841 CA ASN A 56 3.602 10.488 0.097 1.00 0.00 C ATOM 842 C ASN A 56 2.090 10.261 0.130 1.00 0.00 C ATOM 843 O ASN A 56 1.298 11.073 -0.343 1.00 0.00 O ATOM 844 CB ASN A 56 3.924 11.662 1.025 1.00 0.00 C ATOM 845 CG ASN A 56 4.359 11.166 2.405 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.037 10.162 2.548 1.00 0.00 O ATOM 847 ND2 ASN A 56 3.934 11.925 3.411 1.00 0.00 N ATOM 0 H ASN A 56 3.456 11.476 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 56 4.139 9.602 0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.716 12.270 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.048 12.303 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.173 11.679 4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.369 12.753 3.222 1.00 0.00 H new ATOM 854 N PRO A 57 1.703 9.120 0.706 1.00 0.00 N ATOM 855 CA PRO A 57 0.324 8.705 0.847 1.00 0.00 C ATOM 856 C PRO A 57 -0.367 9.572 1.889 1.00 0.00 C ATOM 857 O PRO A 57 -1.513 9.963 1.672 1.00 0.00 O ATOM 858 CB PRO A 57 0.398 7.250 1.307 1.00 0.00 C ATOM 859 CG PRO A 57 1.714 7.193 2.066 1.00 0.00 C ATOM 860 CD PRO A 57 2.607 8.143 1.271 1.00 0.00 C ATOM 0 HA PRO A 57 -0.245 8.805 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.446 6.985 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.389 6.560 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.598 7.517 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.122 6.182 2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.350 8.617 1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.152 7.612 0.491 1.00 0.00 H new ATOM 868 N ALA A 58 0.326 9.851 2.983 1.00 0.00 N ATOM 869 CA ALA A 58 -0.242 10.670 4.041 1.00 0.00 C ATOM 870 C ALA A 58 -0.681 12.015 3.458 1.00 0.00 C ATOM 871 O ALA A 58 -1.463 12.737 4.075 1.00 0.00 O ATOM 872 CB ALA A 58 0.780 10.829 5.168 1.00 0.00 C ATOM 0 H ALA A 58 1.276 9.525 3.160 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.124 10.191 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.354 11.443 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.037 9.848 5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.678 11.309 4.780 1.00 0.00 H new ATOM 878 N ASN A 59 -0.158 12.312 2.277 1.00 0.00 N ATOM 879 CA ASN A 59 -0.486 13.557 1.605 1.00 0.00 C ATOM 880 C ASN A 59 -1.721 13.348 0.727 1.00 0.00 C ATOM 881 O ASN A 59 -2.194 12.223 0.573 1.00 0.00 O ATOM 882 CB ASN A 59 0.662 14.016 0.704 1.00 0.00 C ATOM 883 CG ASN A 59 0.683 15.540 0.576 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.306 16.221 0.789 1.00 0.00 O ATOM 885 ND2 ASN A 59 1.864 16.036 0.216 1.00 0.00 N ATOM 0 H ASN A 59 0.491 11.711 1.769 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.670 14.313 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.611 13.669 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.556 13.566 -0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.981 17.043 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.652 15.409 0.053 1.00 0.00 H new ATOM 892 N VAL A 60 -2.209 14.449 0.174 1.00 0.00 N ATOM 893 CA VAL A 60 -3.380 14.400 -0.684 1.00 0.00 C ATOM 894 C VAL A 60 -2.980 13.844 -2.053 1.00 0.00 C ATOM 895 O VAL A 60 -2.114 14.403 -2.725 1.00 0.00 O ATOM 896 CB VAL A 60 -4.027 15.784 -0.767 1.00 0.00 C ATOM 897 CG1 VAL A 60 -5.173 15.794 -1.780 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.507 16.247 0.610 1.00 0.00 C ATOM 0 H VAL A 60 -1.814 15.381 0.304 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.131 13.730 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.270 16.488 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.615 16.789 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.790 15.528 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.931 15.072 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.963 17.233 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.242 15.540 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.659 16.298 1.293 1.00 0.00 H new ATOM 908 N GLY A 61 -3.631 12.752 -2.426 1.00 0.00 N ATOM 909 CA GLY A 61 -3.355 12.115 -3.702 1.00 0.00 C ATOM 910 C GLY A 61 -4.234 12.701 -4.809 1.00 0.00 C ATOM 911 O GLY A 61 -4.957 13.670 -4.584 1.00 0.00 O ATOM 0 H GLY A 61 -4.349 12.292 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.304 12.247 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.531 11.042 -3.623 1.00 0.00 H new ATOM 915 N LYS A 62 -4.143 12.087 -5.980 1.00 0.00 N ATOM 916 CA LYS A 62 -4.921 12.536 -7.122 1.00 0.00 C ATOM 917 C LYS A 62 -4.931 11.440 -8.189 1.00 0.00 C ATOM 918 O LYS A 62 -3.893 10.851 -8.488 1.00 0.00 O ATOM 919 CB LYS A 62 -4.401 13.883 -7.629 1.00 0.00 C ATOM 920 CG LYS A 62 -5.085 14.276 -8.940 1.00 0.00 C ATOM 921 CD LYS A 62 -4.521 15.592 -9.479 1.00 0.00 C ATOM 922 CE LYS A 62 -4.691 16.720 -8.460 1.00 0.00 C ATOM 923 NZ LYS A 62 -5.233 17.933 -9.114 1.00 0.00 N ATOM 0 H LYS A 62 -3.543 11.283 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.957 12.709 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.579 14.652 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.323 13.827 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.945 13.487 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.158 14.375 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.465 15.468 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.028 15.856 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.361 16.399 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.731 16.948 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.342 18.689 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.579 18.247 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.159 17.716 -9.535 1.00 0.00 H new ATOM 937 N ASN A 63 -6.114 11.199 -8.734 1.00 0.00 N ATOM 938 CA ASN A 63 -6.272 10.184 -9.762 1.00 0.00 C ATOM 939 C ASN A 63 -5.977 10.800 -11.130 1.00 0.00 C ATOM 940 O ASN A 63 -6.513 11.854 -11.470 1.00 0.00 O ATOM 941 CB ASN A 63 -7.703 9.643 -9.785 1.00 0.00 C ATOM 942 CG ASN A 63 -7.945 8.679 -8.622 1.00 0.00 C ATOM 943 OD1 ASN A 63 -7.026 8.204 -7.975 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.229 8.419 -8.393 1.00 0.00 N ATOM 0 H ASN A 63 -6.973 11.689 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.582 9.370 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.409 10.471 -9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.887 9.132 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.495 7.788 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.948 8.851 -8.973 1.00 0.00 H new ATOM 951 N ILE A 64 -5.125 10.116 -11.880 1.00 0.00 N ATOM 952 CA ILE A 64 -4.751 10.582 -13.204 1.00 0.00 C ATOM 953 C ILE A 64 -5.797 10.114 -14.219 1.00 0.00 C ATOM 954 O ILE A 64 -5.624 10.297 -15.423 1.00 0.00 O ATOM 955 CB ILE A 64 -3.325 10.145 -13.545 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.300 8.698 -14.041 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.387 10.359 -12.355 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.914 8.324 -14.571 1.00 0.00 C ATOM 0 H ILE A 64 -4.683 9.242 -11.595 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.741 11.672 -13.235 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.961 10.771 -14.359 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.576 8.026 -13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.042 8.567 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.380 10.040 -12.624 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.374 11.416 -12.087 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.738 9.774 -11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.924 7.290 -14.917 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.652 8.982 -15.400 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.178 8.433 -13.774 1.00 0.00 H new ATOM 970 N VAL A 65 -6.858 9.519 -13.695 1.00 0.00 N ATOM 971 CA VAL A 65 -7.931 9.023 -14.540 1.00 0.00 C ATOM 972 C VAL A 65 -8.939 10.147 -14.788 1.00 0.00 C ATOM 973 O VAL A 65 -9.262 10.453 -15.935 1.00 0.00 O ATOM 974 CB VAL A 65 -8.564 7.782 -13.907 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.834 7.372 -14.656 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.564 6.625 -13.850 1.00 0.00 C ATOM 0 H VAL A 65 -6.998 9.369 -12.696 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.542 8.714 -15.510 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.844 8.034 -12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.264 6.488 -14.186 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.556 8.188 -14.622 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.588 7.148 -15.694 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.039 5.755 -13.396 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.239 6.375 -14.860 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.701 6.919 -13.254 1.00 0.00 H new ATOM 986 N THR A 66 -9.408 10.731 -13.696 1.00 0.00 N ATOM 987 CA THR A 66 -10.372 11.814 -13.781 1.00 0.00 C ATOM 988 C THR A 66 -9.719 13.142 -13.392 1.00 0.00 C ATOM 989 O THR A 66 -10.070 14.192 -13.929 1.00 0.00 O ATOM 990 CB THR A 66 -11.573 11.449 -12.906 1.00 0.00 C ATOM 991 OG1 THR A 66 -11.016 11.285 -11.604 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.145 10.070 -13.242 1.00 0.00 C ATOM 0 H THR A 66 -9.138 10.474 -12.746 1.00 0.00 H new ATOM 0 HA THR A 66 -10.725 11.948 -14.803 1.00 0.00 H new ATOM 0 HB THR A 66 -12.351 12.203 -13.024 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.726 11.049 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.995 9.860 -12.592 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.471 10.055 -14.282 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.377 9.311 -13.091 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.780 13.053 -12.463 1.00 0.00 N ATOM 1001 CA GLY A 67 -8.074 14.234 -11.996 1.00 0.00 C ATOM 1002 C GLY A 67 -8.903 14.995 -10.959 1.00 0.00 C ATOM 1003 O GLY A 67 -8.872 16.223 -10.914 1.00 0.00 O ATOM 0 H GLY A 67 -8.491 12.181 -12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.119 13.942 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.853 14.887 -12.840 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.625 14.232 -10.151 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.462 14.819 -9.118 1.00 0.00 C ATOM 1009 C LYS A 68 -9.598 15.161 -7.903 1.00 0.00 C ATOM 1010 O LYS A 68 -8.989 16.229 -7.851 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.640 13.897 -8.795 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.767 14.070 -9.816 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.679 15.237 -9.433 1.00 0.00 C ATOM 1014 CE LYS A 68 -15.152 14.866 -9.618 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.762 14.504 -8.319 1.00 0.00 N ATOM 0 H LYS A 68 -9.648 13.213 -10.191 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.904 15.752 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.304 12.860 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.014 14.115 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.343 14.244 -10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.351 13.152 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.499 15.519 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.440 16.106 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.692 15.704 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.238 14.030 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.762 14.255 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.257 13.690 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.697 15.312 -7.668 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.573 14.236 -6.955 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.795 14.427 -5.743 1.00 0.00 C ATOM 1031 C GLU A 69 -8.940 13.214 -4.822 1.00 0.00 C ATOM 1032 O GLU A 69 -10.052 12.844 -4.448 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.205 15.714 -5.024 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.478 15.500 -4.202 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.947 16.811 -3.567 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.078 17.513 -3.006 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -12.164 17.082 -3.658 1.00 0.00 O ATOM 0 H GLU A 69 -10.079 13.352 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.745 14.524 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.397 16.043 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.368 16.507 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.265 15.099 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.292 14.760 -3.423 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.801 12.629 -4.483 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.787 11.465 -3.613 1.00 0.00 C ATOM 1046 C ILE A 70 -7.087 11.824 -2.300 1.00 0.00 C ATOM 1047 O ILE A 70 -5.871 11.722 -2.160 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.168 10.266 -4.332 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.785 10.080 -5.720 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.279 8.999 -3.481 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.955 9.096 -5.672 1.00 0.00 C ATOM 0 H ILE A 70 -6.881 12.939 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.804 11.165 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.106 10.465 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.129 11.042 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.027 9.716 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.831 8.161 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.756 9.148 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.329 8.784 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.376 8.982 -6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.602 8.129 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.722 9.475 -4.997 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.896 12.252 -1.328 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.450 12.642 -0.008 1.00 0.00 C ATOM 1065 C PRO A 71 -6.467 11.609 0.525 1.00 0.00 C ATOM 1066 O PRO A 71 -6.373 10.506 -0.009 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.719 12.678 0.840 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.778 13.098 -0.185 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.331 12.384 -1.458 1.00 0.00 C ATOM 0 HA PRO A 71 -6.937 13.603 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.942 11.707 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.641 13.391 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.778 12.790 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.804 14.180 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.810 11.410 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.596 12.958 -2.346 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.732 11.970 1.579 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.750 11.121 2.218 1.00 0.00 C ATOM 1079 C PRO A 72 -5.213 9.672 2.162 1.00 0.00 C ATOM 1080 O PRO A 72 -6.380 9.410 2.448 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.682 11.618 3.661 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.090 13.076 3.562 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.817 13.259 2.231 1.00 0.00 C ATOM 0 HA PRO A 72 -3.775 11.162 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.356 11.057 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.679 11.511 4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.738 13.350 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.215 13.724 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.854 13.556 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.349 14.038 1.629 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.310 8.773 1.799 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.650 7.363 1.712 1.00 0.00 C ATOM 1093 C LEU A 73 -4.192 6.653 2.987 1.00 0.00 C ATOM 1094 O LEU A 73 -4.759 5.631 3.371 1.00 0.00 O ATOM 1095 CB LEU A 73 -4.081 6.753 0.430 1.00 0.00 C ATOM 1096 CG LEU A 73 -4.338 5.259 0.226 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -5.673 5.023 -0.481 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -3.173 4.598 -0.513 1.00 0.00 C ATOM 0 H LEU A 73 -3.343 8.994 1.562 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.730 7.235 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.497 7.292 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.004 6.921 0.418 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.406 4.788 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.830 3.953 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.482 5.437 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.660 5.511 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.381 3.536 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.048 5.067 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.258 4.719 0.068 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.169 7.222 3.609 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.628 6.655 4.833 1.00 0.00 C ATOM 1112 C ALA A 74 -3.769 6.067 5.665 1.00 0.00 C ATOM 1113 O ALA A 74 -4.663 6.767 6.135 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.848 7.731 5.591 1.00 0.00 C ATOM 0 H ALA A 74 -2.701 8.070 3.288 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.934 5.846 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.442 7.307 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.032 8.096 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.514 8.558 5.837 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.717 4.744 5.838 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.690 3.981 6.590 1.00 0.00 C ATOM 1122 C PRO A 75 -4.391 4.098 8.078 1.00 0.00 C ATOM 1123 O PRO A 75 -4.416 3.082 8.771 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.515 2.542 6.109 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.075 2.477 5.723 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.681 3.890 5.299 1.00 0.00 C ATOM 0 HA PRO A 75 -5.711 4.332 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.753 1.824 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.167 2.319 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.463 2.137 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.922 1.770 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.701 4.161 5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.624 3.975 4.214 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.117 5.312 8.534 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.817 5.532 9.939 1.00 0.00 C ATOM 1136 C ARG A 76 -4.159 6.970 10.335 1.00 0.00 C ATOM 1137 O ARG A 76 -4.950 7.194 11.250 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.339 5.268 10.234 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.152 4.722 11.651 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.752 5.039 12.181 1.00 0.00 C ATOM 1141 NE ARG A 76 -0.651 4.653 13.606 1.00 0.00 N ATOM 1142 CZ ARG A 76 0.407 4.922 14.383 1.00 0.00 C ATOM 1143 NH1 ARG A 76 1.459 5.580 13.879 1.00 0.00 N ATOM 1144 NH2 ARG A 76 0.412 4.533 15.665 1.00 0.00 N ATOM 0 H ARG A 76 -4.096 6.152 7.956 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.422 4.837 10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.942 4.556 9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.771 6.191 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.902 5.155 12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.310 3.643 11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.003 4.504 11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.544 6.103 12.068 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.435 4.151 14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.455 5.877 12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.264 5.784 14.471 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.389 4.032 16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.217 4.738 16.257 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.547 7.907 9.627 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.777 9.317 9.893 1.00 0.00 C ATOM 1160 C VAL A 77 -5.277 9.560 10.071 1.00 0.00 C ATOM 1161 O VAL A 77 -5.687 10.317 10.949 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.161 10.167 8.780 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.739 11.584 8.789 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.635 10.197 8.893 1.00 0.00 C ATOM 0 H VAL A 77 -2.892 7.718 8.869 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.287 9.616 10.820 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.417 9.706 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.285 12.167 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.817 11.538 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.527 12.057 9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.223 10.808 8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.350 10.622 9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.244 9.182 8.814 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.055 8.903 9.223 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.500 9.038 9.274 1.00 0.00 C ATOM 1176 C ASN A 78 -8.102 7.791 9.926 1.00 0.00 C ATOM 1177 O ASN A 78 -7.631 6.678 9.697 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.092 9.169 7.870 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.206 10.044 6.981 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.196 10.582 7.405 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.638 10.155 5.728 1.00 0.00 N ATOM 0 H ASN A 78 -5.711 8.275 8.496 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.734 9.934 9.849 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.199 8.181 7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.091 9.601 7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.115 10.717 5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.492 9.678 5.439 1.00 0.00 H new ATOM 1188 N THR A 79 -9.133 8.019 10.726 1.00 0.00 N ATOM 1189 CA THR A 79 -9.804 6.928 11.412 1.00 0.00 C ATOM 1190 C THR A 79 -10.864 6.299 10.506 1.00 0.00 C ATOM 1191 O THR A 79 -11.538 5.349 10.900 1.00 0.00 O ATOM 1192 CB THR A 79 -10.372 7.473 12.724 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.015 8.687 12.347 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.277 7.918 13.696 1.00 0.00 C ATOM 0 H THR A 79 -9.520 8.944 10.915 1.00 0.00 H new ATOM 0 HA THR A 79 -9.108 6.124 11.651 1.00 0.00 H new ATOM 0 HB THR A 79 -10.989 6.709 13.197 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.413 9.106 13.139 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.734 8.296 14.610 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.636 7.070 13.935 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.680 8.706 13.236 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.977 6.854 9.308 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.944 6.360 8.343 1.00 0.00 C ATOM 1204 C LYS A 80 -11.213 5.570 7.255 1.00 0.00 C ATOM 1205 O LYS A 80 -11.503 5.725 6.070 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.797 7.509 7.801 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.150 7.570 8.513 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.479 9.002 8.943 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.284 9.180 10.450 1.00 0.00 C ATOM 1210 NZ LYS A 80 -14.842 10.476 10.894 1.00 0.00 N ATOM 0 H LYS A 80 -10.415 7.641 8.984 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.643 5.674 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.269 8.453 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.951 7.379 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.931 7.197 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.135 6.918 9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.841 9.703 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.509 9.238 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.772 8.365 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.223 9.131 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.702 10.581 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.358 11.251 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.859 10.508 10.679 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.279 4.741 7.696 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.505 3.927 6.775 1.00 0.00 C ATOM 1226 C ARG A 81 -9.240 2.547 7.380 1.00 0.00 C ATOM 1227 O ARG A 81 -9.370 2.359 8.589 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.169 4.594 6.440 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.387 5.918 5.706 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.317 5.723 4.190 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.756 6.957 3.500 1.00 0.00 N ATOM 1232 CZ ARG A 81 -10.032 7.237 3.200 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -11.002 6.372 3.526 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -10.337 8.381 2.572 1.00 0.00 N ATOM 0 H ARG A 81 -10.041 4.615 8.680 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.085 3.820 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.606 4.771 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.570 3.926 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.357 6.333 5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.632 6.640 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.298 5.474 3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.949 4.886 3.893 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.043 7.637 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.769 5.501 4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.973 6.585 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.598 9.038 2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.308 8.594 2.344 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.873 1.616 6.511 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.590 0.258 6.944 1.00 0.00 C ATOM 1250 C PHE A 82 -9.575 -0.190 8.026 1.00 0.00 C ATOM 1251 O PHE A 82 -9.168 -0.558 9.127 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.176 0.262 7.529 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.088 -0.134 6.529 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.345 -0.097 5.194 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.863 -0.522 6.975 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.335 -0.465 4.266 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.853 -0.889 6.047 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.110 -0.853 4.712 1.00 0.00 C ATOM 0 H PHE A 82 -8.765 1.776 5.509 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.681 -0.428 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.956 1.258 7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.143 -0.422 8.377 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.317 0.212 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.659 -0.551 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.540 -0.437 3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.880 -1.197 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.342 -1.132 4.006 1.00 0.00 H new ATOM 1268 N THR A 83 -10.851 -0.144 7.674 1.00 0.00 N ATOM 1269 CA THR A 83 -11.898 -0.540 8.601 1.00 0.00 C ATOM 1270 C THR A 83 -12.849 -1.537 7.936 1.00 0.00 C ATOM 1271 O THR A 83 -14.059 -1.320 7.906 1.00 0.00 O ATOM 1272 CB THR A 83 -12.596 0.728 9.096 1.00 0.00 C ATOM 1273 OG1 THR A 83 -11.746 1.210 10.133 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.918 0.429 9.807 1.00 0.00 C ATOM 0 H THR A 83 -11.184 0.161 6.760 1.00 0.00 H new ATOM 0 HA THR A 83 -11.485 -1.059 9.466 1.00 0.00 H new ATOM 0 HB THR A 83 -12.780 1.394 8.253 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.940 1.604 9.739 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.372 1.363 10.138 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.594 -0.080 9.120 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.731 -0.210 10.670 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.265 -2.609 7.421 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.046 -3.641 6.759 1.00 0.00 C ATOM 1284 C ASP A 84 -12.104 -4.714 6.210 1.00 0.00 C ATOM 1285 O ASP A 84 -11.979 -4.874 4.997 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.839 -3.063 5.585 1.00 0.00 C ATOM 1287 CG ASP A 84 -12.990 -2.563 4.415 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -11.769 -2.401 4.628 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -13.581 -2.352 3.334 1.00 0.00 O ATOM 0 H ASP A 84 -11.261 -2.786 7.449 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.737 -4.062 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.523 -3.827 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.450 -2.237 5.950 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.464 -5.421 7.130 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.537 -6.475 6.754 1.00 0.00 C ATOM 1296 C ILE A 85 -11.112 -7.255 5.570 1.00 0.00 C ATOM 1297 O ILE A 85 -10.364 -7.782 4.748 1.00 0.00 O ATOM 1298 CB ILE A 85 -10.201 -7.351 7.963 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.469 -6.544 9.037 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.413 -8.591 7.539 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -10.442 -6.044 10.106 1.00 0.00 C ATOM 0 H ILE A 85 -11.569 -5.284 8.135 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.589 -6.049 6.426 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.135 -7.700 8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.700 -7.162 9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.962 -5.696 8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.187 -9.196 8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.007 -9.177 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.483 -8.285 7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.896 -5.474 10.857 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.195 -5.406 9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.930 -6.895 10.581 1.00 0.00 H new ATOM 1313 N ASP A 86 -12.435 -7.304 5.521 1.00 0.00 N ATOM 1314 CA ASP A 86 -13.118 -8.011 4.451 1.00 0.00 C ATOM 1315 C ASP A 86 -12.637 -7.474 3.102 1.00 0.00 C ATOM 1316 O ASP A 86 -11.936 -8.168 2.367 1.00 0.00 O ATOM 1317 CB ASP A 86 -14.632 -7.801 4.531 1.00 0.00 C ATOM 1318 CG ASP A 86 -15.465 -9.083 4.491 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -15.061 -10.000 3.744 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -16.489 -9.117 5.208 1.00 0.00 O ATOM 0 H ASP A 86 -13.052 -6.866 6.205 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.895 -9.073 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.861 -7.265 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.939 -7.160 3.705 1.00 0.00 H new ATOM 1325 N LYS A 87 -13.033 -6.242 2.816 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.651 -5.604 1.568 1.00 0.00 C ATOM 1327 C LYS A 87 -11.190 -5.157 1.654 1.00 0.00 C ATOM 1328 O LYS A 87 -10.901 -3.962 1.646 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.621 -4.471 1.227 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.602 -4.899 0.133 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.915 -4.121 0.239 1.00 0.00 C ATOM 1332 CE LYS A 87 -16.583 -3.983 -1.131 1.00 0.00 C ATOM 1333 NZ LYS A 87 -17.076 -5.297 -1.601 1.00 0.00 N ATOM 0 H LYS A 87 -13.615 -5.669 3.427 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.720 -6.312 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.172 -4.178 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.062 -3.596 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.155 -4.733 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.801 -5.968 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.590 -4.631 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.723 -3.132 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.412 -3.278 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.872 -3.576 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.527 -5.186 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.278 -5.959 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.770 -5.670 -0.923 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.308 -6.142 1.735 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.884 -5.866 1.823 1.00 0.00 C ATOM 1349 C VAL A 88 -8.105 -7.023 1.194 1.00 0.00 C ATOM 1350 O VAL A 88 -7.227 -6.804 0.361 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.491 -5.602 3.279 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.124 -6.211 3.596 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.510 -4.104 3.588 1.00 0.00 C ATOM 0 H VAL A 88 -10.552 -7.132 1.742 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.634 -4.964 1.264 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.229 -6.085 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.868 -6.009 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.159 -7.288 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.369 -5.770 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.227 -3.943 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.804 -3.589 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.512 -3.710 3.420 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.454 -8.229 1.617 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.798 -9.420 1.105 1.00 0.00 C ATOM 1365 C GLU A 89 -8.255 -9.704 -0.327 1.00 0.00 C ATOM 1366 O GLU A 89 -8.815 -10.764 -0.605 1.00 0.00 O ATOM 1367 CB GLU A 89 -8.060 -10.623 2.014 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.756 -11.349 2.352 1.00 0.00 C ATOM 1369 CD GLU A 89 -6.987 -12.856 2.488 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -7.231 -13.490 1.439 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -6.915 -13.339 3.639 1.00 0.00 O ATOM 0 H GLU A 89 -9.182 -8.407 2.308 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.723 -9.243 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.544 -10.291 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.747 -11.312 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.018 -11.159 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.347 -10.955 3.282 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.000 -8.739 -1.198 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.379 -8.873 -2.594 1.00 0.00 C ATOM 1380 C ASP A 90 -8.186 -7.529 -3.301 1.00 0.00 C ATOM 1381 O ASP A 90 -7.628 -7.474 -4.396 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.849 -9.272 -2.731 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.829 -8.418 -1.923 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.670 -8.392 -0.683 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.714 -7.811 -2.563 1.00 0.00 O ATOM 0 H ASP A 90 -7.536 -7.861 -0.964 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.753 -9.646 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.127 -9.220 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.958 -10.312 -2.424 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.658 -6.479 -2.645 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.545 -5.140 -3.197 1.00 0.00 C ATOM 1392 C GLU A 91 -7.076 -4.791 -3.448 1.00 0.00 C ATOM 1393 O GLU A 91 -6.774 -3.848 -4.177 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.203 -4.110 -2.276 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.725 -4.135 -2.425 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.197 -3.071 -3.418 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.529 -2.017 -3.480 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.215 -3.337 -4.093 1.00 0.00 O ATOM 0 H GLU A 91 -9.119 -6.529 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.072 -5.116 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.932 -4.317 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.827 -3.114 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.045 -5.121 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.192 -3.964 -1.455 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.202 -5.572 -2.830 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.772 -5.358 -2.978 1.00 0.00 C ATOM 1407 C PHE A 92 -4.210 -6.189 -4.133 1.00 0.00 C ATOM 1408 O PHE A 92 -3.165 -5.857 -4.690 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.115 -5.811 -1.672 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.490 -4.673 -0.863 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.581 -3.845 -1.444 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.844 -4.489 0.437 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.001 -2.789 -0.693 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.263 -3.432 1.188 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.354 -2.605 0.607 1.00 0.00 C ATOM 0 H PHE A 92 -6.456 -6.354 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.573 -4.308 -3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.862 -6.313 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.344 -6.546 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.300 -3.991 -2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.566 -5.146 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.279 -2.132 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.544 -3.286 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.912 -1.802 1.178 1.00 0.00 H new ATOM 1425 N THR A 93 -4.928 -7.254 -4.458 1.00 0.00 N ATOM 1426 CA THR A 93 -4.514 -8.135 -5.536 1.00 0.00 C ATOM 1427 C THR A 93 -5.111 -7.669 -6.866 1.00 0.00 C ATOM 1428 O THR A 93 -4.464 -7.762 -7.908 1.00 0.00 O ATOM 1429 CB THR A 93 -4.912 -9.564 -5.159 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.759 -10.083 -4.502 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.081 -10.467 -6.383 1.00 0.00 C ATOM 0 H THR A 93 -5.794 -7.527 -3.993 1.00 0.00 H new ATOM 0 HA THR A 93 -3.433 -8.109 -5.674 1.00 0.00 H new ATOM 0 HB THR A 93 -5.842 -9.544 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.953 -9.695 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.363 -11.469 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.859 -10.062 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.141 -10.515 -6.933 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.339 -7.177 -6.786 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.030 -6.696 -7.970 1.00 0.00 C ATOM 1441 C LYS A 94 -6.376 -5.397 -8.444 1.00 0.00 C ATOM 1442 O LYS A 94 -6.394 -5.080 -9.632 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.531 -6.566 -7.698 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.130 -7.909 -7.276 1.00 0.00 C ATOM 1445 CD LYS A 94 -9.406 -8.793 -8.494 1.00 0.00 C ATOM 1446 CE LYS A 94 -8.791 -10.182 -8.313 1.00 0.00 C ATOM 1447 NZ LYS A 94 -9.485 -11.171 -9.168 1.00 0.00 N ATOM 0 H LYS A 94 -6.873 -7.101 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.938 -7.415 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.700 -5.826 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.036 -6.204 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.445 -8.420 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.056 -7.742 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.482 -8.884 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.997 -8.324 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.731 -10.153 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.860 -10.484 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.055 -12.108 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.491 -11.210 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.397 -10.890 -10.165 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.807 -4.669 -7.484 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.135 -3.401 -7.745 1.00 0.00 C ATOM 1463 C HIS A 95 -3.815 -3.656 -8.495 1.00 0.00 C ATOM 1464 O HIS A 95 -3.599 -3.171 -9.604 1.00 0.00 O ATOM 1465 CB HIS A 95 -4.971 -2.643 -6.419 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.661 -1.167 -6.513 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.701 -0.496 -7.668 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.302 -0.253 -5.552 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.379 0.786 -7.436 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.124 0.991 -6.145 1.00 0.00 N ATOM 0 H HIS A 95 -5.800 -4.944 -6.502 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.729 -2.763 -8.399 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.889 -2.762 -5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.174 -3.122 -5.850 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -4.938 -0.893 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.178 -0.468 -4.501 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.333 1.551 -8.197 1.00 0.00 H new ATOM 1478 N CYS A 96 -2.937 -4.434 -7.858 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.650 -4.770 -8.433 1.00 0.00 C ATOM 1480 C CYS A 96 -1.852 -5.410 -9.799 1.00 0.00 C ATOM 1481 O CYS A 96 -0.924 -5.386 -10.606 1.00 0.00 O ATOM 1482 CB CYS A 96 -0.906 -5.718 -7.495 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.068 -4.739 -6.224 1.00 0.00 S ATOM 0 H CYS A 96 -3.104 -4.841 -6.938 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.054 -3.866 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.603 -6.418 -7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.182 -6.311 -8.054 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.035 -5.959 -10.031 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.328 -6.595 -11.305 1.00 0.00 C ATOM 1490 C ASN A 97 -3.762 -5.530 -12.314 1.00 0.00 C ATOM 1491 O ASN A 97 -3.864 -5.806 -13.508 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.467 -7.607 -11.166 1.00 0.00 C ATOM 1493 CG ASN A 97 -3.954 -9.037 -11.343 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.267 -9.364 -12.297 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.325 -9.869 -10.373 1.00 0.00 N ATOM 0 H ASN A 97 -3.802 -5.977 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.427 -7.109 -11.640 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.933 -7.503 -10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.237 -7.398 -11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.033 -10.846 -10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.901 -9.530 -9.603 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.006 -4.334 -11.797 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.426 -3.227 -12.638 1.00 0.00 C ATOM 1504 C ASP A 98 -3.416 -2.085 -12.512 1.00 0.00 C ATOM 1505 O ASP A 98 -3.655 -0.983 -13.004 1.00 0.00 O ATOM 1506 CB ASP A 98 -5.795 -2.697 -12.207 1.00 0.00 C ATOM 1507 CG ASP A 98 -6.987 -3.301 -12.952 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.273 -4.490 -12.694 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.584 -2.560 -13.762 1.00 0.00 O ATOM 0 H ASP A 98 -3.921 -4.108 -10.806 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.486 -3.587 -13.665 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.920 -2.883 -11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.809 -1.616 -12.346 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.309 -2.387 -11.851 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.261 -1.399 -11.655 1.00 0.00 C ATOM 1516 C ILE A 99 0.066 -1.961 -12.168 1.00 0.00 C ATOM 1517 O ILE A 99 0.816 -1.265 -12.851 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.215 -0.950 -10.193 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.539 -0.307 -9.775 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.023 -0.025 -9.941 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.885 0.875 -10.683 1.00 0.00 C ATOM 0 H ILE A 99 -2.114 -3.302 -11.444 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.472 -0.500 -12.234 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.075 -1.832 -9.569 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.337 -1.048 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.473 0.031 -8.741 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.014 0.280 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.902 -0.552 -10.174 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.107 0.858 -10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.830 1.314 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.097 1.625 -10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.975 0.529 -11.713 1.00 0.00 H new ATOM 1533 N LEU A 100 0.316 -3.214 -11.818 1.00 0.00 N ATOM 1534 CA LEU A 100 1.540 -3.878 -12.235 1.00 0.00 C ATOM 1535 C LEU A 100 1.221 -4.872 -13.352 1.00 0.00 C ATOM 1536 O LEU A 100 2.065 -5.145 -14.205 1.00 0.00 O ATOM 1537 CB LEU A 100 2.243 -4.509 -11.031 1.00 0.00 C ATOM 1538 CG LEU A 100 2.913 -3.536 -10.059 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.594 -4.287 -8.914 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.884 -2.609 -10.793 1.00 0.00 C ATOM 0 H LEU A 100 -0.308 -3.787 -11.250 1.00 0.00 H new ATOM 0 HA LEU A 100 2.246 -3.155 -12.644 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.513 -5.099 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.999 -5.202 -11.399 1.00 0.00 H new ATOM 0 HG LEU A 100 2.139 -2.908 -9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.062 -3.572 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.852 -4.870 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.354 -4.955 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.347 -1.928 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.657 -3.204 -11.280 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.341 -2.034 -11.544 1.00 0.00 H new ATOM 1552 N GLY A 101 0.001 -5.387 -13.312 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.440 -6.346 -14.311 1.00 0.00 C ATOM 1554 C GLY A 101 -0.442 -7.767 -13.744 1.00 0.00 C ATOM 1555 O GLY A 101 -0.535 -8.738 -14.493 1.00 0.00 O ATOM 0 H GLY A 101 -0.696 -5.158 -12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.442 -6.086 -14.653 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.216 -6.298 -15.180 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.338 -7.844 -12.425 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.326 -9.130 -11.749 1.00 0.00 C ATOM 1561 C ALA A 102 -0.596 -8.919 -10.258 1.00 0.00 C ATOM 1562 O ALA A 102 -0.840 -7.796 -9.820 1.00 0.00 O ATOM 1563 CB ALA A 102 1.009 -9.830 -12.007 1.00 0.00 C ATOM 0 H ALA A 102 -0.261 -7.036 -11.807 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.113 -9.776 -12.138 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.018 -10.795 -11.500 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.139 -9.982 -13.078 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.823 -9.213 -11.627 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.542 -10.018 -9.519 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.778 -9.968 -8.086 1.00 0.00 C ATOM 1571 C ASP A 103 0.553 -9.754 -7.362 1.00 0.00 C ATOM 1572 O ASP A 103 1.518 -10.494 -7.539 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.385 -11.278 -7.582 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.032 -11.201 -6.197 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.550 -10.375 -5.391 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.993 -11.968 -5.976 1.00 0.00 O ATOM 0 H ASP A 103 -0.338 -10.948 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.470 -9.150 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.135 -11.613 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.604 -12.038 -7.560 1.00 0.00 H new ATOM 1581 N CYS A 104 0.582 -8.709 -6.532 1.00 0.00 N ATOM 1582 CA CYS A 104 1.765 -8.367 -5.768 1.00 0.00 C ATOM 1583 C CYS A 104 2.106 -9.506 -4.819 1.00 0.00 C ATOM 1584 O CYS A 104 1.232 -10.326 -4.540 1.00 0.00 O ATOM 1585 CB CYS A 104 1.515 -7.074 -4.996 1.00 0.00 C ATOM 1586 SG CYS A 104 1.711 -5.674 -6.127 1.00 0.00 S ATOM 0 H CYS A 104 -0.211 -8.086 -6.377 1.00 0.00 H new ATOM 0 HA CYS A 104 2.609 -8.213 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.512 -7.077 -4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.215 -6.989 -4.165 1.00 0.00 H new ATOM 1591 N SER A 105 3.345 -9.540 -4.348 1.00 0.00 N ATOM 1592 CA SER A 105 3.770 -10.588 -3.436 1.00 0.00 C ATOM 1593 C SER A 105 3.189 -10.336 -2.043 1.00 0.00 C ATOM 1594 O SER A 105 3.031 -9.202 -1.597 1.00 0.00 O ATOM 1595 CB SER A 105 5.296 -10.672 -3.367 1.00 0.00 C ATOM 1596 OG SER A 105 5.894 -10.585 -4.657 1.00 0.00 O ATOM 0 H SER A 105 4.067 -8.859 -4.581 1.00 0.00 H new ATOM 0 HA SER A 105 3.397 -11.541 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.675 -9.868 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.586 -11.611 -2.895 1.00 0.00 H new ATOM 0 HG SER A 105 6.869 -10.641 -4.570 1.00 0.00 H new ATOM 1602 N PRO A 106 2.871 -11.436 -1.357 1.00 0.00 N ATOM 1603 CA PRO A 106 2.310 -11.432 -0.023 1.00 0.00 C ATOM 1604 C PRO A 106 3.279 -10.755 0.936 1.00 0.00 C ATOM 1605 O PRO A 106 2.862 -10.366 2.026 1.00 0.00 O ATOM 1606 CB PRO A 106 2.131 -12.907 0.331 1.00 0.00 C ATOM 1607 CG PRO A 106 3.096 -13.659 -0.600 1.00 0.00 C ATOM 1608 CD PRO A 106 3.044 -12.785 -1.851 1.00 0.00 C ATOM 0 HA PRO A 106 1.368 -10.888 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.368 -13.093 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.101 -13.228 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.102 -13.723 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.766 -14.679 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.959 -12.877 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.220 -13.076 -2.502 1.00 0.00 H new ATOM 1616 N SER A 107 4.532 -10.631 0.525 1.00 0.00 N ATOM 1617 CA SER A 107 5.537 -10.001 1.365 1.00 0.00 C ATOM 1618 C SER A 107 5.527 -8.487 1.146 1.00 0.00 C ATOM 1619 O SER A 107 5.651 -7.718 2.099 1.00 0.00 O ATOM 1620 CB SER A 107 6.929 -10.569 1.079 1.00 0.00 C ATOM 1621 OG SER A 107 7.418 -10.167 -0.197 1.00 0.00 O ATOM 0 H SER A 107 4.875 -10.956 -0.379 1.00 0.00 H new ATOM 0 HA SER A 107 5.294 -10.213 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.621 -10.238 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.893 -11.657 1.127 1.00 0.00 H new ATOM 0 HG SER A 107 8.309 -10.549 -0.341 1.00 0.00 H new ATOM 1627 N GLU A 108 5.378 -8.104 -0.113 1.00 0.00 N ATOM 1628 CA GLU A 108 5.350 -6.695 -0.468 1.00 0.00 C ATOM 1629 C GLU A 108 4.059 -6.046 0.033 1.00 0.00 C ATOM 1630 O GLU A 108 3.905 -4.828 -0.033 1.00 0.00 O ATOM 1631 CB GLU A 108 5.508 -6.507 -1.979 1.00 0.00 C ATOM 1632 CG GLU A 108 6.723 -7.276 -2.503 1.00 0.00 C ATOM 1633 CD GLU A 108 8.024 -6.553 -2.149 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.041 -5.312 -2.295 1.00 0.00 O ATOM 1635 OE2 GLU A 108 8.972 -7.258 -1.740 1.00 0.00 O ATOM 0 H GLU A 108 5.275 -8.744 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 108 6.193 -6.202 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.608 -6.851 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.618 -5.447 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.733 -8.280 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.648 -7.388 -3.585 1.00 0.00 H new ATOM 1642 N LYS A 109 3.162 -6.890 0.523 1.00 0.00 N ATOM 1643 CA LYS A 109 1.888 -6.414 1.035 1.00 0.00 C ATOM 1644 C LYS A 109 2.067 -5.949 2.481 1.00 0.00 C ATOM 1645 O LYS A 109 1.833 -4.783 2.795 1.00 0.00 O ATOM 1646 CB LYS A 109 0.808 -7.484 0.863 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.546 -6.849 0.539 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.724 -6.679 -0.971 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.094 -8.007 -1.633 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.384 -8.507 -1.107 1.00 0.00 N ATOM 0 H LYS A 109 3.292 -7.900 0.576 1.00 0.00 H new ATOM 0 HA LYS A 109 1.545 -5.552 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.093 -8.169 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.728 -8.075 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.348 -7.472 0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.623 -5.879 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.502 -5.941 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.198 -6.295 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.161 -7.875 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.310 -8.742 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.222 -9.377 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.811 -7.786 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.027 -8.710 -1.899 1.00 0.00 H new ATOM 1664 N ALA A 110 2.481 -6.884 3.324 1.00 0.00 N ATOM 1665 CA ALA A 110 2.694 -6.584 4.730 1.00 0.00 C ATOM 1666 C ALA A 110 3.675 -5.416 4.855 1.00 0.00 C ATOM 1667 O ALA A 110 3.559 -4.599 5.766 1.00 0.00 O ATOM 1668 CB ALA A 110 3.187 -7.840 5.451 1.00 0.00 C ATOM 0 H ALA A 110 2.675 -7.850 3.060 1.00 0.00 H new ATOM 0 HA ALA A 110 1.760 -6.282 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.347 -7.615 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.441 -8.630 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.125 -8.171 5.005 1.00 0.00 H new ATOM 1674 N ASN A 111 4.618 -5.375 3.925 1.00 0.00 N ATOM 1675 CA ASN A 111 5.618 -4.322 3.919 1.00 0.00 C ATOM 1676 C ASN A 111 4.920 -2.962 3.851 1.00 0.00 C ATOM 1677 O ASN A 111 5.014 -2.165 4.784 1.00 0.00 O ATOM 1678 CB ASN A 111 6.538 -4.442 2.703 1.00 0.00 C ATOM 1679 CG ASN A 111 7.424 -3.202 2.561 1.00 0.00 C ATOM 1680 OD1 ASN A 111 7.716 -2.738 1.471 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.834 -2.694 3.719 1.00 0.00 N ATOM 0 H ASN A 111 4.710 -6.055 3.170 1.00 0.00 H new ATOM 0 HA ASN A 111 6.210 -4.415 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.162 -5.330 2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 111 5.940 -4.571 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.430 -1.866 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.553 -3.132 4.596 1.00 0.00 H new ATOM 1688 N PHE A 112 4.236 -2.739 2.739 1.00 0.00 N ATOM 1689 CA PHE A 112 3.522 -1.489 2.537 1.00 0.00 C ATOM 1690 C PHE A 112 2.647 -1.156 3.747 1.00 0.00 C ATOM 1691 O PHE A 112 2.604 -0.010 4.190 1.00 0.00 O ATOM 1692 CB PHE A 112 2.627 -1.679 1.311 1.00 0.00 C ATOM 1693 CG PHE A 112 1.866 -0.418 0.895 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.540 0.642 0.374 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.516 -0.357 1.047 1.00 0.00 C ATOM 1696 CE1 PHE A 112 1.834 1.812 -0.012 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.190 0.813 0.661 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.484 1.873 0.140 1.00 0.00 C ATOM 0 H PHE A 112 4.161 -3.403 1.968 1.00 0.00 H new ATOM 0 HA PHE A 112 4.231 -0.673 2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.240 -2.013 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.909 -2.473 1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.612 0.594 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.019 -1.199 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.369 2.654 -0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.262 0.861 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.053 2.763 -0.153 1.00 0.00 H new ATOM 1708 N ILE A 113 1.969 -2.180 4.247 1.00 0.00 N ATOM 1709 CA ILE A 113 1.097 -2.010 5.396 1.00 0.00 C ATOM 1710 C ILE A 113 1.901 -1.422 6.558 1.00 0.00 C ATOM 1711 O ILE A 113 1.400 -0.579 7.301 1.00 0.00 O ATOM 1712 CB ILE A 113 0.398 -3.327 5.737 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.831 -3.540 4.851 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.050 -3.394 7.225 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.791 -4.914 4.178 1.00 0.00 C ATOM 0 H ILE A 113 2.007 -3.130 3.877 1.00 0.00 H new ATOM 0 HA ILE A 113 0.300 -1.302 5.168 1.00 0.00 H new ATOM 0 HB ILE A 113 1.089 -4.144 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.736 -3.452 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.875 -2.760 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.446 -4.340 7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.963 -3.320 7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.615 -2.569 7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.676 -5.040 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.103 -4.990 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.771 -5.692 4.941 1.00 0.00 H new ATOM 1727 N ALA A 114 3.135 -1.890 6.679 1.00 0.00 N ATOM 1728 CA ALA A 114 4.012 -1.422 7.738 1.00 0.00 C ATOM 1729 C ALA A 114 4.338 0.055 7.508 1.00 0.00 C ATOM 1730 O ALA A 114 3.921 0.940 8.252 1.00 0.00 O ATOM 1731 CB ALA A 114 5.268 -2.295 7.785 1.00 0.00 C ATOM 0 H ALA A 114 3.548 -2.588 6.061 1.00 0.00 H new ATOM 0 HA ALA A 114 3.521 -1.505 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.926 -1.943 8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.985 -3.330 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.789 -2.235 6.829 1.00 0.00 H new ATOM 1737 N TYR A 115 5.105 0.305 6.444 1.00 0.00 N ATOM 1738 CA TYR A 115 5.504 1.652 6.090 1.00 0.00 C ATOM 1739 C TYR A 115 4.309 2.589 6.195 1.00 0.00 C ATOM 1740 O TYR A 115 4.492 3.747 6.569 1.00 0.00 O ATOM 1741 CB TYR A 115 6.072 1.658 4.674 1.00 0.00 C ATOM 1742 CG TYR A 115 7.395 2.376 4.558 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.424 3.751 4.292 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.593 1.669 4.717 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.651 4.417 4.184 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.819 2.335 4.609 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.848 3.709 4.343 1.00 0.00 C ATOM 1748 OH TYR A 115 11.043 4.358 4.237 1.00 0.00 O ATOM 0 H TYR A 115 5.459 -0.417 5.816 1.00 0.00 H new ATOM 0 HA TYR A 115 6.274 1.999 6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.195 0.629 4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.352 2.129 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.500 4.297 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.571 0.609 4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.674 5.477 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.743 1.789 4.731 1.00 0.00 H new ATOM 0 HH TYR A 115 11.775 3.721 4.375 1.00 0.00 H new ATOM 1758 N LEU A 116 3.128 2.083 5.871 1.00 0.00 N ATOM 1759 CA LEU A 116 1.923 2.893 5.937 1.00 0.00 C ATOM 1760 C LEU A 116 1.572 3.159 7.402 1.00 0.00 C ATOM 1761 O LEU A 116 1.193 4.272 7.761 1.00 0.00 O ATOM 1762 CB LEU A 116 0.793 2.237 5.142 1.00 0.00 C ATOM 1763 CG LEU A 116 0.629 2.707 3.696 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.655 2.147 3.079 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.689 4.233 3.605 1.00 0.00 C ATOM 0 H LEU A 116 2.980 1.122 5.562 1.00 0.00 H new ATOM 0 HA LEU A 116 2.089 3.863 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.958 1.160 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.145 2.413 5.669 1.00 0.00 H new ATOM 0 HG LEU A 116 1.464 2.316 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.747 2.497 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.619 1.058 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.515 2.487 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.570 4.541 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.112 4.665 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.652 4.582 3.979 1.00 0.00 H new ATOM 1777 N LEU A 117 1.711 2.117 8.209 1.00 0.00 N ATOM 1778 CA LEU A 117 1.413 2.224 9.627 1.00 0.00 C ATOM 1779 C LEU A 117 2.681 2.625 10.382 1.00 0.00 C ATOM 1780 O LEU A 117 2.762 2.463 11.598 1.00 0.00 O ATOM 1781 CB LEU A 117 0.775 0.930 10.139 1.00 0.00 C ATOM 1782 CG LEU A 117 1.746 -0.183 10.539 1.00 0.00 C ATOM 1783 CD1 LEU A 117 2.138 -0.065 12.013 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.167 -1.560 10.208 1.00 0.00 C ATOM 0 H LEU A 117 2.026 1.195 7.908 1.00 0.00 H new ATOM 0 HA LEU A 117 0.676 3.008 9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.154 1.171 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.110 0.545 9.366 1.00 0.00 H new ATOM 0 HG LEU A 117 2.658 -0.068 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.829 -0.868 12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.620 0.897 12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.245 -0.140 12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.877 -2.333 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.232 -1.701 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.980 -1.628 9.136 1.00 0.00 H new ATOM 1796 N THR A 118 3.642 3.140 9.628 1.00 0.00 N ATOM 1797 CA THR A 118 4.903 3.566 10.211 1.00 0.00 C ATOM 1798 C THR A 118 5.241 4.991 9.768 1.00 0.00 C ATOM 1799 O THR A 118 5.077 5.939 10.534 1.00 0.00 O ATOM 1800 CB THR A 118 5.971 2.541 9.826 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.608 1.371 10.555 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.354 2.904 10.371 1.00 0.00 C ATOM 0 H THR A 118 3.572 3.272 8.619 1.00 0.00 H new ATOM 0 HA THR A 118 4.844 3.603 11.299 1.00 0.00 H new ATOM 0 HB THR A 118 6.019 2.457 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.958 0.851 10.037 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.075 2.144 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.659 3.872 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.314 2.955 11.459 1.00 0.00 H new ATOM 1810 N GLU A 119 5.707 5.097 8.532 1.00 0.00 N ATOM 1811 CA GLU A 119 6.070 6.390 7.978 1.00 0.00 C ATOM 1812 C GLU A 119 4.876 7.008 7.247 1.00 0.00 C ATOM 1813 O GLU A 119 4.835 7.021 6.017 1.00 0.00 O ATOM 1814 CB GLU A 119 7.279 6.269 7.048 1.00 0.00 C ATOM 1815 CG GLU A 119 8.443 5.567 7.751 1.00 0.00 C ATOM 1816 CD GLU A 119 9.687 6.458 7.773 1.00 0.00 C ATOM 1817 OE1 GLU A 119 10.085 6.905 6.676 1.00 0.00 O ATOM 1818 OE2 GLU A 119 10.212 6.672 8.887 1.00 0.00 O ATOM 0 H GLU A 119 5.841 4.309 7.899 1.00 0.00 H new ATOM 0 HA GLU A 119 6.350 7.049 8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.000 5.712 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 119 7.592 7.261 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.156 5.312 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.670 4.631 7.240 1.00 0.00 H new ATOM 1825 N THR A 120 3.934 7.505 8.034 1.00 0.00 N ATOM 1826 CA THR A 120 2.742 8.123 7.477 1.00 0.00 C ATOM 1827 C THR A 120 2.570 9.540 8.028 1.00 0.00 C ATOM 1828 O THR A 120 1.604 9.822 8.735 1.00 0.00 O ATOM 1829 CB THR A 120 1.553 7.207 7.773 1.00 0.00 C ATOM 1830 OG1 THR A 120 0.417 8.054 7.621 1.00 0.00 O ATOM 1831 CG2 THR A 120 1.499 6.772 9.239 1.00 0.00 C ATOM 0 H THR A 120 3.971 7.493 9.053 1.00 0.00 H new ATOM 0 HA THR A 120 2.822 8.236 6.396 1.00 0.00 H new ATOM 0 HB THR A 120 1.607 6.325 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.384 8.693 8.363 1.00 0.00 H new ATOM 0 HG21 THR A 120 0.637 6.124 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 120 2.411 6.230 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.411 7.652 9.877 1.00 0.00 H new ATOM 1839 N LYS A 121 3.521 10.395 7.682 1.00 0.00 N ATOM 1840 CA LYS A 121 3.487 11.776 8.132 1.00 0.00 C ATOM 1841 C LYS A 121 3.756 12.702 6.944 1.00 0.00 C ATOM 1842 O LYS A 121 4.503 12.381 6.023 1.00 0.00 O ATOM 1843 CB LYS A 121 4.450 11.982 9.303 1.00 0.00 C ATOM 1844 CG LYS A 121 4.119 11.034 10.458 1.00 0.00 C ATOM 1845 CD LYS A 121 5.303 10.907 11.419 1.00 0.00 C ATOM 1846 CE LYS A 121 4.838 10.985 12.875 1.00 0.00 C ATOM 1847 NZ LYS A 121 5.913 10.533 13.786 1.00 0.00 N ATOM 0 H LYS A 121 4.320 10.158 7.095 1.00 0.00 H new ATOM 0 HA LYS A 121 2.498 12.028 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.474 11.812 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.394 13.015 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.246 11.403 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.859 10.052 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.815 9.960 11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.024 11.700 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.554 12.009 13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.951 10.366 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.582 10.592 14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.165 9.549 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.749 11.140 13.665 1.00 0.00 H new ATOM 1861 N PRO A 122 3.120 13.875 6.988 1.00 0.00 N ATOM 1862 CA PRO A 122 3.230 14.901 5.974 1.00 0.00 C ATOM 1863 C PRO A 122 4.503 15.706 6.198 1.00 0.00 C ATOM 1864 O PRO A 122 5.095 15.594 7.270 1.00 0.00 O ATOM 1865 CB PRO A 122 1.991 15.773 6.162 1.00 0.00 C ATOM 1866 CG PRO A 122 1.761 15.682 7.662 1.00 0.00 C ATOM 1867 CD PRO A 122 2.234 14.285 8.057 1.00 0.00 C ATOM 0 HA PRO A 122 3.284 14.495 4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.162 16.799 5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 122 1.139 15.398 5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 122 2.321 16.452 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.709 15.826 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.752 14.300 9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.394 13.598 8.159 1.00 0.00 H new ATOM 1875 N THR A 123 4.894 16.487 5.202 1.00 0.00 N ATOM 1876 CA THR A 123 6.096 17.296 5.314 1.00 0.00 C ATOM 1877 C THR A 123 5.733 18.774 5.466 1.00 0.00 C ATOM 1878 O THR A 123 6.030 19.388 6.489 1.00 0.00 O ATOM 1879 CB THR A 123 6.974 17.008 4.094 1.00 0.00 C ATOM 1880 OG1 THR A 123 7.578 15.752 4.389 1.00 0.00 O ATOM 1881 CG2 THR A 123 8.157 17.973 3.983 1.00 0.00 C ATOM 0 H THR A 123 4.400 16.577 4.314 1.00 0.00 H new ATOM 0 HA THR A 123 6.663 17.040 6.209 1.00 0.00 H new ATOM 0 HB THR A 123 6.369 17.069 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 123 8.163 15.488 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 123 8.747 17.725 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 123 7.786 18.994 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 123 8.781 17.888 4.873 1.00 0.00 H new ATOM 1889 N LYS A 124 5.095 19.303 4.432 1.00 0.00 N ATOM 1890 CA LYS A 124 4.688 20.698 4.437 1.00 0.00 C ATOM 1891 C LYS A 124 5.926 21.586 4.568 1.00 0.00 C ATOM 1892 O LYS A 124 6.381 21.864 5.677 1.00 0.00 O ATOM 1893 CB LYS A 124 3.637 20.944 5.522 1.00 0.00 C ATOM 1894 CG LYS A 124 2.358 20.154 5.236 1.00 0.00 C ATOM 1895 CD LYS A 124 1.256 20.515 6.234 1.00 0.00 C ATOM 1896 CE LYS A 124 1.336 19.632 7.482 1.00 0.00 C ATOM 1897 NZ LYS A 124 0.142 19.831 8.334 1.00 0.00 N ATOM 1898 OXT LYS A 124 6.439 22.004 3.508 1.00 0.00 O ATOM 0 H LYS A 124 4.850 18.790 3.585 1.00 0.00 H new ATOM 0 HA LYS A 124 4.208 20.959 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.038 20.655 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 124 3.407 22.008 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 124 2.017 20.362 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 124 2.567 19.085 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 124 1.348 21.563 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 124 0.280 20.397 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 124 1.411 18.585 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 124 2.237 19.871 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 0.212 19.225 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 0.087 20.827 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -0.713 19.581 7.797 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.596 2.670 -5.345 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.452 2.413 -3.425 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.862 0.843 -2.994 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.738 2.765 -7.326 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.315 4.609 -7.622 1.00 0.00 C HETATM 1918 NA HEC A 125 -4.055 1.844 -3.562 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.303 1.778 -2.966 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.251 0.947 -1.786 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.980 0.510 -1.664 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.232 1.066 -2.766 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.408 -0.383 -0.601 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.420 0.652 -0.891 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.067 -0.706 -1.144 1.00 0.00 C HETATM 1926 CGA HEC A 125 -7.093 -1.545 0.126 1.00 0.00 C HETATM 1927 O1A HEC A 125 -5.989 -1.859 0.621 1.00 0.00 O HETATM 1928 O2A HEC A 125 -8.216 -1.857 0.577 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.673 2.008 -5.160 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.194 1.168 -4.170 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.112 0.667 -4.527 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.427 1.198 -5.727 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.682 2.033 -6.126 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.932 -0.269 -3.687 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.677 0.989 -6.531 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.985 -0.476 -6.831 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.181 3.430 -7.181 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.948 3.449 -7.808 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.973 4.352 -8.935 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.214 4.880 -8.993 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.970 4.309 -7.903 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.811 4.622 -9.845 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.751 5.873 -9.982 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.577 5.453 -11.439 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.476 3.397 -5.479 1.00 0.00 N HETATM 1946 C1D HEC A 125 -6.019 4.122 -6.525 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.437 4.310 -6.322 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.755 3.702 -5.160 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.538 3.133 -4.631 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.347 5.050 -7.258 1.00 0.00 C HETATM 1951 CAD HEC A 125 -9.102 3.611 -4.503 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.390 4.740 -3.519 1.00 0.00 C HETATM 1953 CGD HEC A 125 -8.104 5.277 -2.908 1.00 0.00 C HETATM 1954 O1D HEC A 125 -7.967 5.153 -1.672 1.00 0.00 O HETATM 1955 O2D HEC A 125 -7.281 5.803 -3.689 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -8.007 6.081 -7.357 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.333 4.568 -8.236 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.363 5.039 -6.862 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.018 5.027 -9.266 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.500 3.693 -10.323 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -1.106 5.342 -10.608 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.138 0.194 -2.722 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.382 -1.198 -3.534 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.873 -0.484 -4.194 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.532 0.087 0.375 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.929 -1.341 -0.611 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.347 -0.544 -0.793 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -9.917 5.546 -4.030 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -10.048 4.379 -2.729 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.517 5.324 -11.656 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.100 4.512 -11.611 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.990 6.222 -12.091 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.110 -1.021 -5.895 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.162 -0.912 -7.397 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.903 -0.543 -7.415 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -8.083 -0.565 -1.512 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -6.517 -1.235 -1.922 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.872 3.610 -5.275 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.175 2.658 -3.979 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -6.091 0.698 0.147 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -7.171 1.431 -1.022 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.842 5.269 -8.311 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.165 2.829 -7.932 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.283 0.383 -2.193 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.348 2.349 -2.808 1.00 0.00 H new HETATM 0 H2D HEC A 125 -7.760 6.232 -4.428 1.00 0.00 H new HETATM 0 H2A HEC A 125 -8.205 -1.792 1.555 1.00 0.00 H new