USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 THR OG1 : rot -158:sc= -1.95! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -12.4! C(o=-14!,f=-24!) USER MOD Single : A 36 ASN :FLIP amide:sc= 0.884 F(o=-0.87,f=0.88) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -1.09 (180deg=-1.79) USER MOD Single : A 42 HIS :FLIP no HE2:sc= -0.426 F(o=-1.4,f=-0.43) USER MOD Single : A 45 CYS SG : rot 180:sc= -0.049 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -10.5! C(o=-10!,f=-14!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -152:sc= -0.262 (180deg=-1.24) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= -0.0107 (180deg=-0.394) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0587) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.49) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.65 F(o=-2.9!,f=-1.6) USER MOD Single : A 71 TYR OH : rot -38:sc= -0.378 USER MOD Single : A 72 SER OG : rot -174:sc= -0.758 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.51) USER MOD Single : A 85 MET CE :methyl 141:sc= -0.988 (180deg=-3.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 144:sc= -0.429 (180deg=-1.88!) USER MOD Single : A 95 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.9!) USER MOD Single : A 112 THR OG1 : rot 62:sc= 0.752 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 30:sc= -0.395 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -114:sc= -0.0944 (180deg=-0.685) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -1.264 -18.398 -13.170 1.00 0.00 N ATOM 2 CA ASN A 36 -0.869 -18.072 -14.569 1.00 0.00 C ATOM 3 C ASN A 36 -1.405 -16.692 -14.959 1.00 0.00 C ATOM 4 O ASN A 36 -1.589 -16.395 -16.122 1.00 0.00 O ATOM 5 CB ASN A 36 -1.527 -19.156 -15.424 1.00 0.00 C ATOM 6 CG ASN A 36 -3.048 -19.041 -15.304 1.00 0.00 C ATOM 7 OD1 ASN A 36 -3.784 -19.145 -16.376 1.00 0.00 O flip ATOM 8 ND2 ASN A 36 -3.571 -18.856 -14.223 1.00 0.00 N flip ATOM 0 HA ASN A 36 0.213 -18.045 -14.699 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.224 -19.048 -16.465 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.198 -20.143 -15.097 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.995 -18.775 -13.385 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.586 -18.782 -14.153 1.00 0.00 H new ATOM 15 N ALA A 37 -1.662 -15.851 -13.994 1.00 0.00 N ATOM 16 CA ALA A 37 -2.195 -14.497 -14.313 1.00 0.00 C ATOM 17 C ALA A 37 -1.367 -13.411 -13.617 1.00 0.00 C ATOM 18 O ALA A 37 -0.510 -13.689 -12.801 1.00 0.00 O ATOM 19 CB ALA A 37 -3.625 -14.507 -13.768 1.00 0.00 C ATOM 0 H ALA A 37 -1.526 -16.043 -13.001 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.157 -14.281 -15.381 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.095 -13.543 -13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.196 -15.294 -14.260 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.604 -14.692 -12.694 1.00 0.00 H new ATOM 25 N VAL A 38 -1.627 -12.175 -13.939 1.00 0.00 N ATOM 26 CA VAL A 38 -0.875 -11.049 -13.310 1.00 0.00 C ATOM 27 C VAL A 38 -1.832 -9.885 -13.046 1.00 0.00 C ATOM 28 O VAL A 38 -2.851 -9.761 -13.691 1.00 0.00 O ATOM 29 CB VAL A 38 0.169 -10.646 -14.350 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.525 -10.392 -15.684 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.879 -9.368 -13.896 1.00 0.00 C ATOM 0 H VAL A 38 -2.335 -11.892 -14.617 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.419 -11.326 -12.359 1.00 0.00 H new ATOM 0 HB VAL A 38 0.901 -11.446 -14.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.215 -10.104 -16.430 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.033 -11.300 -16.009 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.254 -9.590 -15.568 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.623 -9.082 -14.639 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.149 -8.566 -13.786 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.371 -9.545 -12.939 1.00 0.00 H new ATOM 41 N LYS A 39 -1.513 -9.021 -12.125 1.00 0.00 N ATOM 42 CA LYS A 39 -2.418 -7.864 -11.854 1.00 0.00 C ATOM 43 C LYS A 39 -1.874 -6.615 -12.545 1.00 0.00 C ATOM 44 O LYS A 39 -0.767 -6.185 -12.285 1.00 0.00 O ATOM 45 CB LYS A 39 -2.415 -7.696 -10.333 1.00 0.00 C ATOM 46 CG LYS A 39 -3.434 -8.656 -9.719 1.00 0.00 C ATOM 47 CD LYS A 39 -4.189 -7.949 -8.594 1.00 0.00 C ATOM 48 CE LYS A 39 -3.444 -8.151 -7.274 1.00 0.00 C ATOM 49 NZ LYS A 39 -2.302 -7.197 -7.331 1.00 0.00 N ATOM 0 H LYS A 39 -0.671 -9.062 -11.550 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.428 -8.024 -12.231 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.421 -7.899 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.661 -6.668 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.134 -8.997 -10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.928 -9.541 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.278 -6.885 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.202 -8.345 -8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.089 -7.945 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.096 -9.179 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.916 -7.060 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.561 -7.580 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.631 -6.284 -7.706 1.00 0.00 H new ATOM 63 N VAL A 40 -2.632 -6.037 -13.440 1.00 0.00 N ATOM 64 CA VAL A 40 -2.123 -4.827 -14.154 1.00 0.00 C ATOM 65 C VAL A 40 -3.112 -3.660 -14.067 1.00 0.00 C ATOM 66 O VAL A 40 -4.298 -3.843 -13.879 1.00 0.00 O ATOM 67 CB VAL A 40 -1.971 -5.268 -15.611 1.00 0.00 C ATOM 68 CG1 VAL A 40 -1.221 -6.596 -15.667 1.00 0.00 C ATOM 69 CG2 VAL A 40 -3.356 -5.451 -16.233 1.00 0.00 C ATOM 0 H VAL A 40 -3.568 -6.344 -13.705 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.190 -4.473 -13.715 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.415 -4.509 -16.162 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.113 -6.909 -16.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.234 -6.476 -15.220 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.779 -7.353 -15.116 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.250 -5.765 -17.271 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.906 -6.211 -15.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.900 -4.507 -16.193 1.00 0.00 H new ATOM 79 N ARG A 41 -2.619 -2.462 -14.234 1.00 0.00 N ATOM 80 CA ARG A 41 -3.498 -1.258 -14.202 1.00 0.00 C ATOM 81 C ARG A 41 -3.040 -0.290 -15.294 1.00 0.00 C ATOM 82 O ARG A 41 -1.911 0.159 -15.295 1.00 0.00 O ATOM 83 CB ARG A 41 -3.310 -0.638 -12.814 1.00 0.00 C ATOM 84 CG ARG A 41 -3.452 -1.719 -11.739 1.00 0.00 C ATOM 85 CD ARG A 41 -3.397 -1.067 -10.354 1.00 0.00 C ATOM 86 NE ARG A 41 -3.618 -2.184 -9.394 1.00 0.00 N ATOM 87 CZ ARG A 41 -4.709 -2.896 -9.461 1.00 0.00 C ATOM 88 NH1 ARG A 41 -5.872 -2.324 -9.306 1.00 0.00 N ATOM 89 NH2 ARG A 41 -4.639 -4.179 -9.686 1.00 0.00 N ATOM 0 H ARG A 41 -1.631 -2.265 -14.393 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.547 -1.497 -14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.328 -0.170 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.049 0.147 -12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.394 -2.252 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.654 -2.455 -11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.435 -0.584 -10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.163 -0.299 -10.249 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.916 -2.392 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.928 -1.320 -9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.725 -2.881 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.731 -4.626 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.493 -4.735 -9.738 1.00 0.00 H new ATOM 103 N HIS A 42 -3.884 0.016 -16.245 1.00 0.00 N ATOM 104 CA HIS A 42 -3.443 0.929 -17.339 1.00 0.00 C ATOM 105 C HIS A 42 -4.457 2.044 -17.608 1.00 0.00 C ATOM 106 O HIS A 42 -5.619 1.950 -17.263 1.00 0.00 O ATOM 107 CB HIS A 42 -3.317 0.018 -18.572 1.00 0.00 C ATOM 108 CG HIS A 42 -4.657 -0.125 -19.259 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.802 -0.793 -18.901 1.00 0.00 N flip ATOM 110 CD2 HIS A 42 -4.941 0.484 -20.476 1.00 0.00 C flip ATOM 111 CE1 HIS A 42 -6.781 -0.604 -19.873 1.00 0.00 C flip ATOM 112 NE2 HIS A 42 -6.213 0.171 -20.799 1.00 0.00 N flip ATOM 0 H HIS A 42 -4.844 -0.321 -16.311 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.513 1.435 -17.080 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.587 0.434 -19.267 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.948 -0.963 -18.272 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -5.918 -1.345 -18.051 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.267 1.096 -21.057 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.786 -1.000 -19.877 1.00 0.00 H new ATOM 120 N ILE A 43 -4.017 3.078 -18.267 1.00 0.00 N ATOM 121 CA ILE A 43 -4.935 4.191 -18.626 1.00 0.00 C ATOM 122 C ILE A 43 -5.033 4.251 -20.150 1.00 0.00 C ATOM 123 O ILE A 43 -4.027 4.275 -20.840 1.00 0.00 O ATOM 124 CB ILE A 43 -4.288 5.467 -18.089 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.309 5.456 -16.561 1.00 0.00 C ATOM 126 CG2 ILE A 43 -5.074 6.678 -18.596 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.898 5.701 -16.024 1.00 0.00 C ATOM 0 H ILE A 43 -3.052 3.200 -18.575 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.935 4.062 -18.212 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.255 5.522 -18.433 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.988 6.225 -16.192 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.685 4.499 -16.200 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.618 7.592 -18.217 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.060 6.691 -19.686 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.105 6.615 -18.247 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.917 5.692 -14.934 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.231 4.916 -16.382 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.539 6.669 -16.373 1.00 0.00 H new ATOM 139 N LEU A 44 -6.223 4.254 -20.682 1.00 0.00 N ATOM 140 CA LEU A 44 -6.365 4.291 -22.165 1.00 0.00 C ATOM 141 C LEU A 44 -6.923 5.634 -22.634 1.00 0.00 C ATOM 142 O LEU A 44 -7.940 6.102 -22.162 1.00 0.00 O ATOM 143 CB LEU A 44 -7.346 3.168 -22.509 1.00 0.00 C ATOM 144 CG LEU A 44 -7.167 2.769 -23.976 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.836 1.418 -24.235 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.806 3.825 -24.877 1.00 0.00 C ATOM 0 H LEU A 44 -7.098 4.233 -20.159 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.400 4.164 -22.656 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.172 2.308 -21.863 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.370 3.498 -22.333 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.102 2.694 -24.194 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.704 1.141 -25.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.381 0.659 -23.599 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.900 1.490 -24.010 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.677 3.539 -25.921 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.869 3.902 -24.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.328 4.789 -24.703 1.00 0.00 H new ATOM 158 N CYS A 45 -6.271 6.235 -23.583 1.00 0.00 N ATOM 159 CA CYS A 45 -6.752 7.530 -24.130 1.00 0.00 C ATOM 160 C CYS A 45 -6.730 7.440 -25.653 1.00 0.00 C ATOM 161 O CYS A 45 -5.953 6.698 -26.219 1.00 0.00 O ATOM 162 CB CYS A 45 -5.758 8.579 -23.631 1.00 0.00 C ATOM 163 SG CYS A 45 -6.327 10.227 -24.119 1.00 0.00 S ATOM 0 H CYS A 45 -5.415 5.881 -24.009 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.766 7.781 -23.818 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.665 8.521 -22.547 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.769 8.386 -24.047 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.484 11.121 -23.694 1.00 0.00 H new ATOM 169 N GLU A 46 -7.565 8.169 -26.331 1.00 0.00 N ATOM 170 CA GLU A 46 -7.552 8.075 -27.815 1.00 0.00 C ATOM 171 C GLU A 46 -6.209 8.590 -28.348 1.00 0.00 C ATOM 172 O GLU A 46 -5.283 8.807 -27.590 1.00 0.00 O ATOM 173 CB GLU A 46 -8.730 8.921 -28.285 1.00 0.00 C ATOM 174 CG GLU A 46 -10.031 8.150 -28.044 1.00 0.00 C ATOM 175 CD GLU A 46 -11.227 9.086 -28.225 1.00 0.00 C ATOM 176 OE1 GLU A 46 -11.387 9.608 -29.316 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.963 9.265 -27.270 1.00 0.00 O ATOM 0 H GLU A 46 -8.246 8.816 -25.932 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.653 7.053 -28.181 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.750 9.869 -27.747 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.624 9.157 -29.344 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.103 7.314 -28.739 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.035 7.730 -27.038 1.00 0.00 H new ATOM 184 N LYS A 47 -6.063 8.744 -29.637 1.00 0.00 N ATOM 185 CA LYS A 47 -4.739 9.188 -30.171 1.00 0.00 C ATOM 186 C LYS A 47 -4.673 10.698 -30.456 1.00 0.00 C ATOM 187 O LYS A 47 -5.220 11.183 -31.425 1.00 0.00 O ATOM 188 CB LYS A 47 -4.559 8.400 -31.469 1.00 0.00 C ATOM 189 CG LYS A 47 -3.255 8.828 -32.145 1.00 0.00 C ATOM 190 CD LYS A 47 -3.181 8.221 -33.546 1.00 0.00 C ATOM 191 CE LYS A 47 -1.940 8.754 -34.265 1.00 0.00 C ATOM 192 NZ LYS A 47 -2.306 8.756 -35.709 1.00 0.00 N ATOM 0 H LYS A 47 -6.789 8.585 -30.335 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.954 9.004 -29.438 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.539 7.331 -31.259 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.403 8.578 -32.136 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.205 9.915 -32.206 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.401 8.502 -31.551 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.139 7.134 -33.482 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.078 8.472 -34.111 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.684 9.756 -33.921 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.073 8.121 -34.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.505 9.109 -36.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.539 7.788 -36.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.131 9.372 -35.857 1.00 0.00 H new ATOM 206 N HIS A 48 -3.971 11.440 -29.629 1.00 0.00 N ATOM 207 CA HIS A 48 -3.829 12.918 -29.862 1.00 0.00 C ATOM 208 C HIS A 48 -2.359 13.328 -29.747 1.00 0.00 C ATOM 209 O HIS A 48 -2.004 14.467 -29.971 1.00 0.00 O ATOM 210 CB HIS A 48 -4.626 13.617 -28.758 1.00 0.00 C ATOM 211 CG HIS A 48 -5.843 12.814 -28.440 1.00 0.00 C ATOM 212 ND1 HIS A 48 -6.579 12.200 -29.428 1.00 0.00 N ATOM 213 CD2 HIS A 48 -6.439 12.479 -27.256 1.00 0.00 C ATOM 214 CE1 HIS A 48 -7.563 11.524 -28.834 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.532 11.658 -27.504 1.00 0.00 N ATOM 0 H HIS A 48 -3.490 11.087 -28.802 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.189 13.188 -30.855 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.010 13.732 -27.866 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.912 14.619 -29.079 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.404 12.253 -30.431 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.111 12.802 -26.279 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.298 10.937 -29.365 1.00 0.00 H new ATOM 223 N GLY A 49 -1.506 12.418 -29.364 1.00 0.00 N ATOM 224 CA GLY A 49 -0.072 12.768 -29.191 1.00 0.00 C ATOM 225 C GLY A 49 0.120 13.185 -27.735 1.00 0.00 C ATOM 226 O GLY A 49 0.948 14.014 -27.412 1.00 0.00 O ATOM 0 H GLY A 49 -1.743 11.446 -29.164 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.564 11.916 -29.434 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.210 13.578 -29.863 1.00 0.00 H new ATOM 230 N LYS A 50 -0.668 12.622 -26.858 1.00 0.00 N ATOM 231 CA LYS A 50 -0.575 12.984 -25.415 1.00 0.00 C ATOM 232 C LYS A 50 0.012 11.832 -24.594 1.00 0.00 C ATOM 233 O LYS A 50 0.209 11.958 -23.401 1.00 0.00 O ATOM 234 CB LYS A 50 -2.020 13.252 -24.993 1.00 0.00 C ATOM 235 CG LYS A 50 -2.576 14.438 -25.782 1.00 0.00 C ATOM 236 CD LYS A 50 -4.078 14.560 -25.527 1.00 0.00 C ATOM 237 CE LYS A 50 -4.557 15.952 -25.947 1.00 0.00 C ATOM 238 NZ LYS A 50 -5.992 16.002 -25.552 1.00 0.00 N ATOM 0 H LYS A 50 -1.376 11.923 -27.082 1.00 0.00 H new ATOM 0 HA LYS A 50 0.078 13.841 -25.252 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.631 12.367 -25.170 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.064 13.461 -23.924 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.070 15.356 -25.484 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.387 14.301 -26.847 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.616 13.795 -26.087 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.293 14.393 -24.472 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.983 16.734 -25.449 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.438 16.103 -27.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.391 16.928 -25.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.515 15.251 -26.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.074 15.862 -24.525 1.00 0.00 H new ATOM 252 N ILE A 51 0.294 10.710 -25.203 1.00 0.00 N ATOM 253 CA ILE A 51 0.864 9.582 -24.411 1.00 0.00 C ATOM 254 C ILE A 51 1.973 10.112 -23.505 1.00 0.00 C ATOM 255 O ILE A 51 2.082 9.736 -22.355 1.00 0.00 O ATOM 256 CB ILE A 51 1.426 8.585 -25.425 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.717 7.260 -24.711 1.00 0.00 C ATOM 258 CG2 ILE A 51 2.724 9.132 -26.027 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.270 6.245 -25.710 1.00 0.00 C ATOM 0 H ILE A 51 0.157 10.528 -26.197 1.00 0.00 H new ATOM 0 HA ILE A 51 0.115 9.107 -23.778 1.00 0.00 H new ATOM 0 HB ILE A 51 0.700 8.428 -26.223 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.434 7.420 -23.906 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.806 6.875 -24.254 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.120 8.417 -26.749 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.522 10.079 -26.527 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.455 9.289 -25.234 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.475 5.305 -25.198 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.538 6.076 -26.500 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.192 6.629 -26.146 1.00 0.00 H new ATOM 271 N MET A 52 2.785 10.999 -24.008 1.00 0.00 N ATOM 272 CA MET A 52 3.870 11.568 -23.167 1.00 0.00 C ATOM 273 C MET A 52 3.246 12.385 -22.035 1.00 0.00 C ATOM 274 O MET A 52 3.743 12.414 -20.927 1.00 0.00 O ATOM 275 CB MET A 52 4.678 12.457 -24.112 1.00 0.00 C ATOM 276 CG MET A 52 5.883 13.035 -23.367 1.00 0.00 C ATOM 277 SD MET A 52 6.598 14.387 -24.334 1.00 0.00 S ATOM 278 CE MET A 52 7.925 14.813 -23.180 1.00 0.00 C ATOM 0 H MET A 52 2.743 11.353 -24.964 1.00 0.00 H new ATOM 0 HA MET A 52 4.502 10.808 -22.707 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.013 11.879 -24.974 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.052 13.264 -24.493 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.578 13.398 -22.385 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.629 12.258 -23.202 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.506 15.642 -23.584 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.494 15.104 -22.222 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.575 13.950 -23.038 1.00 0.00 H new ATOM 288 N GLU A 53 2.139 13.029 -22.301 1.00 0.00 N ATOM 289 CA GLU A 53 1.464 13.820 -21.234 1.00 0.00 C ATOM 290 C GLU A 53 0.822 12.858 -20.232 1.00 0.00 C ATOM 291 O GLU A 53 0.889 13.051 -19.035 1.00 0.00 O ATOM 292 CB GLU A 53 0.392 14.643 -21.957 1.00 0.00 C ATOM 293 CG GLU A 53 -0.278 15.599 -20.965 1.00 0.00 C ATOM 294 CD GLU A 53 -1.331 16.439 -21.693 1.00 0.00 C ATOM 295 OE1 GLU A 53 -1.292 16.476 -22.913 1.00 0.00 O ATOM 296 OE2 GLU A 53 -2.157 17.030 -21.019 1.00 0.00 O ATOM 0 H GLU A 53 1.676 13.040 -23.210 1.00 0.00 H new ATOM 0 HA GLU A 53 2.151 14.463 -20.684 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.842 15.207 -22.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.353 13.981 -22.399 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.744 15.034 -20.158 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.469 16.249 -20.510 1.00 0.00 H new ATOM 303 N ALA A 54 0.210 11.813 -20.723 1.00 0.00 N ATOM 304 CA ALA A 54 -0.433 10.821 -19.813 1.00 0.00 C ATOM 305 C ALA A 54 0.585 10.305 -18.793 1.00 0.00 C ATOM 306 O ALA A 54 0.388 10.406 -17.599 1.00 0.00 O ATOM 307 CB ALA A 54 -0.891 9.684 -20.728 1.00 0.00 C ATOM 0 H ALA A 54 0.128 11.603 -21.718 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.261 11.253 -19.250 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.376 8.911 -20.132 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.596 10.071 -21.464 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.028 9.259 -21.241 1.00 0.00 H new ATOM 313 N MET A 55 1.675 9.753 -19.255 1.00 0.00 N ATOM 314 CA MET A 55 2.705 9.233 -18.312 1.00 0.00 C ATOM 315 C MET A 55 3.377 10.398 -17.582 1.00 0.00 C ATOM 316 O MET A 55 3.837 10.260 -16.465 1.00 0.00 O ATOM 317 CB MET A 55 3.714 8.494 -19.192 1.00 0.00 C ATOM 318 CG MET A 55 4.369 9.486 -20.155 1.00 0.00 C ATOM 319 SD MET A 55 5.606 8.633 -21.163 1.00 0.00 S ATOM 320 CE MET A 55 6.799 8.296 -19.844 1.00 0.00 C ATOM 0 H MET A 55 1.896 9.640 -20.244 1.00 0.00 H new ATOM 0 HA MET A 55 2.280 8.580 -17.550 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.473 8.016 -18.572 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.215 7.703 -19.751 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.613 9.938 -20.796 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.838 10.295 -19.595 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.802 8.241 -20.266 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.760 9.096 -19.105 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.554 7.348 -19.365 1.00 0.00 H new ATOM 330 N GLU A 56 3.431 11.549 -18.198 1.00 0.00 N ATOM 331 CA GLU A 56 4.067 12.719 -17.528 1.00 0.00 C ATOM 332 C GLU A 56 3.135 13.255 -16.442 1.00 0.00 C ATOM 333 O GLU A 56 3.567 13.850 -15.476 1.00 0.00 O ATOM 334 CB GLU A 56 4.260 13.767 -18.626 1.00 0.00 C ATOM 335 CG GLU A 56 4.945 14.998 -18.030 1.00 0.00 C ATOM 336 CD GLU A 56 4.917 16.145 -19.041 1.00 0.00 C ATOM 337 OE1 GLU A 56 5.419 15.956 -20.136 1.00 0.00 O ATOM 338 OE2 GLU A 56 4.393 17.194 -18.702 1.00 0.00 O ATOM 0 H GLU A 56 3.064 11.729 -19.132 1.00 0.00 H new ATOM 0 HA GLU A 56 5.013 12.458 -17.054 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.863 13.356 -19.436 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.297 14.044 -19.055 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.440 15.298 -17.112 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.975 14.760 -17.764 1.00 0.00 H new ATOM 345 N LYS A 57 1.858 13.041 -16.595 1.00 0.00 N ATOM 346 CA LYS A 57 0.893 13.527 -15.575 1.00 0.00 C ATOM 347 C LYS A 57 0.846 12.544 -14.407 1.00 0.00 C ATOM 348 O LYS A 57 0.728 12.926 -13.260 1.00 0.00 O ATOM 349 CB LYS A 57 -0.454 13.571 -16.296 1.00 0.00 C ATOM 350 CG LYS A 57 -0.511 14.809 -17.191 1.00 0.00 C ATOM 351 CD LYS A 57 -1.250 15.930 -16.459 1.00 0.00 C ATOM 352 CE LYS A 57 -1.397 17.141 -17.385 1.00 0.00 C ATOM 353 NZ LYS A 57 -0.033 17.734 -17.468 1.00 0.00 N ATOM 0 H LYS A 57 1.442 12.549 -17.386 1.00 0.00 H new ATOM 0 HA LYS A 57 1.165 14.501 -15.168 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.588 12.670 -16.894 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.267 13.596 -15.570 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.498 15.131 -17.450 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.020 14.573 -18.126 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.233 15.583 -16.139 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.703 16.212 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.758 16.843 -18.369 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.115 17.858 -16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.105 18.772 -17.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.531 17.424 -16.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.429 17.421 -18.346 1.00 0.00 H new ATOM 367 N LEU A 58 0.947 11.276 -14.695 1.00 0.00 N ATOM 368 CA LEU A 58 0.919 10.262 -13.609 1.00 0.00 C ATOM 369 C LEU A 58 2.326 10.115 -13.018 1.00 0.00 C ATOM 370 O LEU A 58 2.507 9.623 -11.922 1.00 0.00 O ATOM 371 CB LEU A 58 0.435 8.967 -14.292 1.00 0.00 C ATOM 372 CG LEU A 58 1.621 8.079 -14.686 1.00 0.00 C ATOM 373 CD1 LEU A 58 1.945 7.133 -13.531 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.261 7.257 -15.926 1.00 0.00 C ATOM 0 H LEU A 58 1.048 10.900 -15.638 1.00 0.00 H new ATOM 0 HA LEU A 58 0.264 10.529 -12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.225 8.421 -13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.149 9.215 -15.178 1.00 0.00 H new ATOM 0 HG LEU A 58 2.486 8.705 -14.906 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.788 6.499 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.202 7.714 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.077 6.510 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.106 6.627 -16.203 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.397 6.629 -15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.023 7.928 -16.751 1.00 0.00 H new ATOM 386 N LYS A 59 3.322 10.544 -13.746 1.00 0.00 N ATOM 387 CA LYS A 59 4.719 10.440 -13.243 1.00 0.00 C ATOM 388 C LYS A 59 4.953 9.058 -12.624 1.00 0.00 C ATOM 389 O LYS A 59 4.518 8.053 -13.152 1.00 0.00 O ATOM 390 CB LYS A 59 4.845 11.548 -12.194 1.00 0.00 C ATOM 391 CG LYS A 59 4.578 12.906 -12.853 1.00 0.00 C ATOM 392 CD LYS A 59 5.721 13.246 -13.812 1.00 0.00 C ATOM 393 CE LYS A 59 5.806 14.764 -13.992 1.00 0.00 C ATOM 394 NZ LYS A 59 6.935 14.977 -14.940 1.00 0.00 N ATOM 0 H LYS A 59 3.226 10.963 -14.671 1.00 0.00 H new ATOM 0 HA LYS A 59 5.460 10.554 -14.034 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.136 11.379 -11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.842 11.535 -11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.632 12.879 -13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.487 13.680 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.663 12.863 -13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.556 12.764 -14.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.875 15.167 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.989 15.265 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.991 15.984 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.826 14.682 -14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.778 14.413 -15.800 1.00 0.00 H new ATOM 408 N SER A 60 5.640 8.992 -11.517 1.00 0.00 N ATOM 409 CA SER A 60 5.904 7.667 -10.882 1.00 0.00 C ATOM 410 C SER A 60 4.595 6.908 -10.635 1.00 0.00 C ATOM 411 O SER A 60 4.574 5.695 -10.577 1.00 0.00 O ATOM 412 CB SER A 60 6.592 7.993 -9.558 1.00 0.00 C ATOM 413 OG SER A 60 7.002 6.784 -8.934 1.00 0.00 O ATOM 0 H SER A 60 6.030 9.796 -11.024 1.00 0.00 H new ATOM 0 HA SER A 60 6.516 7.028 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.454 8.637 -9.731 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.911 8.540 -8.906 1.00 0.00 H new ATOM 0 HG SER A 60 7.446 6.988 -8.084 1.00 0.00 H new ATOM 419 N GLY A 61 3.502 7.607 -10.489 1.00 0.00 N ATOM 420 CA GLY A 61 2.204 6.912 -10.247 1.00 0.00 C ATOM 421 C GLY A 61 1.393 7.685 -9.205 1.00 0.00 C ATOM 422 O GLY A 61 0.225 7.426 -8.997 1.00 0.00 O ATOM 0 H GLY A 61 3.451 8.625 -10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.641 6.837 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.384 5.894 -9.900 1.00 0.00 H new ATOM 426 N MET A 62 2.005 8.630 -8.548 1.00 0.00 N ATOM 427 CA MET A 62 1.271 9.418 -7.519 1.00 0.00 C ATOM 428 C MET A 62 -0.073 9.898 -8.079 1.00 0.00 C ATOM 429 O MET A 62 -1.060 9.963 -7.372 1.00 0.00 O ATOM 430 CB MET A 62 2.186 10.602 -7.208 1.00 0.00 C ATOM 431 CG MET A 62 3.447 10.092 -6.506 1.00 0.00 C ATOM 432 SD MET A 62 4.480 11.494 -6.017 1.00 0.00 S ATOM 433 CE MET A 62 3.781 11.723 -4.364 1.00 0.00 C ATOM 0 H MET A 62 2.982 8.891 -8.679 1.00 0.00 H new ATOM 0 HA MET A 62 1.046 8.833 -6.627 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.453 11.123 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.668 11.321 -6.574 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.175 9.505 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.004 9.432 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.282 12.555 -3.869 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.715 11.937 -4.446 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.924 10.814 -3.779 1.00 0.00 H new ATOM 443 N ARG A 63 -0.124 10.226 -9.341 1.00 0.00 N ATOM 444 CA ARG A 63 -1.409 10.692 -9.938 1.00 0.00 C ATOM 445 C ARG A 63 -1.918 9.671 -10.955 1.00 0.00 C ATOM 446 O ARG A 63 -2.628 10.005 -11.882 1.00 0.00 O ATOM 447 CB ARG A 63 -1.078 12.009 -10.633 1.00 0.00 C ATOM 448 CG ARG A 63 -1.060 13.134 -9.603 1.00 0.00 C ATOM 449 CD ARG A 63 -0.010 14.171 -10.005 1.00 0.00 C ATOM 450 NE ARG A 63 0.416 14.804 -8.728 1.00 0.00 N ATOM 451 CZ ARG A 63 1.018 15.961 -8.745 1.00 0.00 C ATOM 452 NH1 ARG A 63 0.317 17.060 -8.764 1.00 0.00 N ATOM 453 NH2 ARG A 63 2.322 16.018 -8.747 1.00 0.00 N ATOM 0 H ARG A 63 0.667 10.192 -9.984 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.188 10.814 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.109 11.938 -11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.816 12.221 -11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.043 13.601 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.833 12.734 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.833 13.703 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.426 14.908 -10.691 1.00 0.00 H new ATOM 0 HE ARG A 63 0.238 14.334 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.702 17.015 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.788 17.965 -8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.870 15.158 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.793 16.923 -8.760 1.00 0.00 H new ATOM 467 N PHE A 64 -1.559 8.430 -10.792 1.00 0.00 N ATOM 468 CA PHE A 64 -2.025 7.394 -11.754 1.00 0.00 C ATOM 469 C PHE A 64 -3.553 7.411 -11.841 1.00 0.00 C ATOM 470 O PHE A 64 -4.126 7.236 -12.897 1.00 0.00 O ATOM 471 CB PHE A 64 -1.530 6.064 -11.188 1.00 0.00 C ATOM 472 CG PHE A 64 -1.985 4.943 -12.088 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.225 4.589 -13.210 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.173 4.258 -11.804 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.652 3.550 -14.046 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.599 3.219 -12.640 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.839 2.866 -13.761 1.00 0.00 C ATOM 0 H PHE A 64 -0.965 8.088 -10.037 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.646 7.566 -12.761 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.443 6.069 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.917 5.917 -10.180 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.309 5.118 -13.430 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.761 4.531 -10.940 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.065 3.277 -14.911 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.514 2.690 -12.420 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.169 2.065 -14.406 1.00 0.00 H new ATOM 487 N ASN A 65 -4.219 7.631 -10.739 1.00 0.00 N ATOM 488 CA ASN A 65 -5.709 7.671 -10.772 1.00 0.00 C ATOM 489 C ASN A 65 -6.167 8.994 -11.391 1.00 0.00 C ATOM 490 O ASN A 65 -7.106 9.040 -12.161 1.00 0.00 O ATOM 491 CB ASN A 65 -6.146 7.574 -9.311 1.00 0.00 C ATOM 492 CG ASN A 65 -7.658 7.358 -9.245 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.198 6.538 -9.960 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.370 8.066 -8.411 1.00 0.00 N ATOM 0 H ASN A 65 -3.798 7.784 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.139 6.867 -11.368 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.628 6.750 -8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.874 8.485 -8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.380 7.931 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.917 8.755 -7.810 1.00 0.00 H new ATOM 501 N GLU A 66 -5.498 10.068 -11.068 1.00 0.00 N ATOM 502 CA GLU A 66 -5.880 11.387 -11.647 1.00 0.00 C ATOM 503 C GLU A 66 -5.710 11.347 -13.167 1.00 0.00 C ATOM 504 O GLU A 66 -6.645 11.560 -13.916 1.00 0.00 O ATOM 505 CB GLU A 66 -4.908 12.391 -11.026 1.00 0.00 C ATOM 506 CG GLU A 66 -5.038 12.352 -9.501 1.00 0.00 C ATOM 507 CD GLU A 66 -6.320 13.072 -9.080 1.00 0.00 C ATOM 508 OE1 GLU A 66 -6.970 13.637 -9.944 1.00 0.00 O ATOM 509 OE2 GLU A 66 -6.629 13.048 -7.900 1.00 0.00 O ATOM 0 H GLU A 66 -4.704 10.088 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.918 11.650 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.886 12.153 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.121 13.395 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.057 11.319 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.173 12.828 -9.039 1.00 0.00 H new ATOM 516 N VAL A 67 -4.522 11.062 -13.627 1.00 0.00 N ATOM 517 CA VAL A 67 -4.292 10.993 -15.095 1.00 0.00 C ATOM 518 C VAL A 67 -5.346 10.084 -15.728 1.00 0.00 C ATOM 519 O VAL A 67 -5.937 10.406 -16.739 1.00 0.00 O ATOM 520 CB VAL A 67 -2.890 10.399 -15.248 1.00 0.00 C ATOM 521 CG1 VAL A 67 -1.899 11.238 -14.449 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.872 8.965 -14.721 1.00 0.00 C ATOM 0 H VAL A 67 -3.703 10.874 -13.049 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.367 11.964 -15.585 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.613 10.399 -16.302 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.899 10.818 -14.555 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.905 12.262 -14.823 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.184 11.234 -13.397 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.871 8.549 -14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.151 8.961 -13.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.582 8.361 -15.286 1.00 0.00 H new ATOM 532 N ALA A 68 -5.597 8.958 -15.123 1.00 0.00 N ATOM 533 CA ALA A 68 -6.621 8.030 -15.667 1.00 0.00 C ATOM 534 C ALA A 68 -7.988 8.707 -15.646 1.00 0.00 C ATOM 535 O ALA A 68 -8.795 8.537 -16.536 1.00 0.00 O ATOM 536 CB ALA A 68 -6.608 6.839 -14.711 1.00 0.00 C ATOM 0 H ALA A 68 -5.134 8.641 -14.271 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.418 7.734 -16.696 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.339 6.101 -15.040 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.615 6.389 -14.704 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.860 7.177 -13.706 1.00 0.00 H new ATOM 542 N ALA A 69 -8.247 9.475 -14.627 1.00 0.00 N ATOM 543 CA ALA A 69 -9.562 10.166 -14.532 1.00 0.00 C ATOM 544 C ALA A 69 -9.809 11.005 -15.787 1.00 0.00 C ATOM 545 O ALA A 69 -10.920 11.109 -16.265 1.00 0.00 O ATOM 546 CB ALA A 69 -9.449 11.061 -13.298 1.00 0.00 C ATOM 0 H ALA A 69 -7.605 9.655 -13.855 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.394 9.466 -14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.382 11.607 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.253 10.446 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.631 11.769 -13.435 1.00 0.00 H new ATOM 552 N GLN A 70 -8.784 11.608 -16.320 1.00 0.00 N ATOM 553 CA GLN A 70 -8.971 12.441 -17.541 1.00 0.00 C ATOM 554 C GLN A 70 -8.421 11.724 -18.778 1.00 0.00 C ATOM 555 O GLN A 70 -8.650 12.139 -19.897 1.00 0.00 O ATOM 556 CB GLN A 70 -8.183 13.722 -17.272 1.00 0.00 C ATOM 557 CG GLN A 70 -8.224 14.609 -18.517 1.00 0.00 C ATOM 558 CD GLN A 70 -9.678 14.937 -18.864 1.00 0.00 C ATOM 559 OE1 GLN A 70 -10.445 14.013 -19.380 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -10.125 16.049 -18.662 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.829 11.561 -15.965 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.024 12.640 -17.739 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.608 14.252 -16.419 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.151 13.481 -17.016 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.665 15.528 -18.340 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.745 14.101 -19.354 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.529 16.773 -18.259 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.096 16.259 -18.895 1.00 0.00 H new ATOM 569 N TYR A 71 -7.703 10.653 -18.594 1.00 0.00 N ATOM 570 CA TYR A 71 -7.150 9.923 -19.771 1.00 0.00 C ATOM 571 C TYR A 71 -7.788 8.533 -19.881 1.00 0.00 C ATOM 572 O TYR A 71 -7.260 7.649 -20.525 1.00 0.00 O ATOM 573 CB TYR A 71 -5.650 9.794 -19.496 1.00 0.00 C ATOM 574 CG TYR A 71 -5.025 11.163 -19.329 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.316 12.192 -20.235 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.142 11.396 -18.269 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.725 13.453 -20.075 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.551 12.654 -18.110 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.842 13.683 -19.013 1.00 0.00 C ATOM 580 OH TYR A 71 -3.258 14.924 -18.856 1.00 0.00 O ATOM 0 H TYR A 71 -7.475 10.251 -17.685 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.351 10.446 -20.706 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.488 9.201 -18.596 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.167 9.264 -20.317 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.995 12.014 -21.056 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.916 10.603 -17.572 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.951 14.247 -20.771 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.870 12.831 -17.291 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.040 15.297 -19.736 1.00 0.00 H new ATOM 590 N SER A 72 -8.913 8.328 -19.250 1.00 0.00 N ATOM 591 CA SER A 72 -9.571 6.992 -19.313 1.00 0.00 C ATOM 592 C SER A 72 -10.878 7.066 -20.105 1.00 0.00 C ATOM 593 O SER A 72 -11.836 7.680 -19.679 1.00 0.00 O ATOM 594 CB SER A 72 -9.858 6.630 -17.858 1.00 0.00 C ATOM 595 OG SER A 72 -10.577 5.404 -17.811 1.00 0.00 O ATOM 0 H SER A 72 -9.404 9.028 -18.694 1.00 0.00 H new ATOM 0 HA SER A 72 -8.944 6.253 -19.812 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.924 6.539 -17.303 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.436 7.422 -17.381 1.00 0.00 H new ATOM 0 HG SER A 72 -10.844 5.217 -16.887 1.00 0.00 H new ATOM 601 N GLU A 73 -10.931 6.431 -21.242 1.00 0.00 N ATOM 602 CA GLU A 73 -12.185 6.452 -22.049 1.00 0.00 C ATOM 603 C GLU A 73 -12.937 5.130 -21.867 1.00 0.00 C ATOM 604 O GLU A 73 -14.038 4.955 -22.351 1.00 0.00 O ATOM 605 CB GLU A 73 -11.730 6.612 -23.499 1.00 0.00 C ATOM 606 CG GLU A 73 -11.564 8.099 -23.820 1.00 0.00 C ATOM 607 CD GLU A 73 -10.719 8.765 -22.732 1.00 0.00 C ATOM 608 OE1 GLU A 73 -9.627 8.284 -22.481 1.00 0.00 O ATOM 609 OE2 GLU A 73 -11.179 9.744 -22.168 1.00 0.00 O ATOM 0 H GLU A 73 -10.162 5.898 -21.648 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.858 7.255 -21.749 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.787 6.088 -23.656 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.460 6.163 -24.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.086 8.221 -24.792 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.540 8.580 -23.882 1.00 0.00 H new ATOM 616 N ASP A 74 -12.345 4.200 -21.165 1.00 0.00 N ATOM 617 CA ASP A 74 -13.012 2.886 -20.940 1.00 0.00 C ATOM 618 C ASP A 74 -13.553 2.822 -19.505 1.00 0.00 C ATOM 619 O ASP A 74 -13.173 1.971 -18.724 1.00 0.00 O ATOM 620 CB ASP A 74 -11.902 1.854 -21.158 1.00 0.00 C ATOM 621 CG ASP A 74 -11.561 1.786 -22.648 1.00 0.00 C ATOM 622 OD1 ASP A 74 -12.385 2.203 -23.445 1.00 0.00 O ATOM 623 OD2 ASP A 74 -10.480 1.318 -22.967 1.00 0.00 O ATOM 0 H ASP A 74 -11.424 4.295 -20.736 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.860 2.715 -21.603 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.017 2.127 -20.583 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.224 0.876 -20.802 1.00 0.00 H new ATOM 628 N LYS A 75 -14.423 3.731 -19.150 1.00 0.00 N ATOM 629 CA LYS A 75 -14.976 3.750 -17.761 1.00 0.00 C ATOM 630 C LYS A 75 -15.614 2.404 -17.383 1.00 0.00 C ATOM 631 O LYS A 75 -15.649 2.037 -16.227 1.00 0.00 O ATOM 632 CB LYS A 75 -16.028 4.868 -17.770 1.00 0.00 C ATOM 633 CG LYS A 75 -15.353 6.195 -18.135 1.00 0.00 C ATOM 634 CD LYS A 75 -16.376 7.148 -18.761 1.00 0.00 C ATOM 635 CE LYS A 75 -15.783 8.560 -18.825 1.00 0.00 C ATOM 636 NZ LYS A 75 -16.812 9.385 -19.519 1.00 0.00 N ATOM 0 H LYS A 75 -14.776 4.465 -19.764 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.193 3.922 -17.023 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.815 4.637 -18.488 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.502 4.945 -16.792 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.919 6.649 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.535 6.017 -18.833 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.642 6.808 -19.762 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.293 7.153 -18.172 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.577 8.946 -17.827 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.839 8.566 -19.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.475 10.366 -19.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.983 8.999 -20.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.697 9.367 -18.973 1.00 0.00 H new ATOM 650 N ALA A 76 -16.127 1.668 -18.333 1.00 0.00 N ATOM 651 CA ALA A 76 -16.765 0.360 -17.986 1.00 0.00 C ATOM 652 C ALA A 76 -15.892 -0.822 -18.424 1.00 0.00 C ATOM 653 O ALA A 76 -15.837 -1.836 -17.758 1.00 0.00 O ATOM 654 CB ALA A 76 -18.091 0.346 -18.745 1.00 0.00 C ATOM 0 H ALA A 76 -16.133 1.910 -19.324 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.901 0.260 -16.909 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -18.618 -0.586 -18.540 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.704 1.188 -18.423 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.899 0.426 -19.815 1.00 0.00 H new ATOM 660 N ARG A 77 -15.220 -0.714 -19.537 1.00 0.00 N ATOM 661 CA ARG A 77 -14.373 -1.851 -19.991 1.00 0.00 C ATOM 662 C ARG A 77 -13.223 -2.083 -19.007 1.00 0.00 C ATOM 663 O ARG A 77 -13.051 -3.167 -18.486 1.00 0.00 O ATOM 664 CB ARG A 77 -13.846 -1.435 -21.363 1.00 0.00 C ATOM 665 CG ARG A 77 -15.000 -1.442 -22.367 1.00 0.00 C ATOM 666 CD ARG A 77 -14.503 -1.959 -23.717 1.00 0.00 C ATOM 667 NE ARG A 77 -15.133 -3.300 -23.868 1.00 0.00 N ATOM 668 CZ ARG A 77 -14.622 -4.333 -23.255 1.00 0.00 C ATOM 669 NH1 ARG A 77 -14.963 -4.597 -22.022 1.00 0.00 N ATOM 670 NH2 ARG A 77 -13.771 -5.104 -23.875 1.00 0.00 N ATOM 0 H ARG A 77 -15.220 0.104 -20.146 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.930 -2.786 -20.043 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -13.401 -0.442 -21.309 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -13.062 -2.119 -21.687 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -15.810 -2.073 -22.001 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.405 -0.436 -22.478 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.795 -1.292 -24.528 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.415 -2.029 -23.738 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.963 -3.411 -24.450 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.629 -3.996 -21.537 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.563 -5.404 -21.544 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.505 -4.899 -24.838 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.372 -5.911 -23.396 1.00 0.00 H new ATOM 684 N GLN A 78 -12.436 -1.077 -18.743 1.00 0.00 N ATOM 685 CA GLN A 78 -11.304 -1.258 -17.789 1.00 0.00 C ATOM 686 C GLN A 78 -11.099 0.004 -16.947 1.00 0.00 C ATOM 687 O GLN A 78 -11.400 0.032 -15.770 1.00 0.00 O ATOM 688 CB GLN A 78 -10.080 -1.519 -18.667 1.00 0.00 C ATOM 689 CG GLN A 78 -10.197 -2.902 -19.310 1.00 0.00 C ATOM 690 CD GLN A 78 -9.268 -2.983 -20.521 1.00 0.00 C ATOM 691 OE1 GLN A 78 -8.367 -3.798 -20.558 1.00 0.00 O ATOM 692 NE2 GLN A 78 -9.452 -2.167 -21.521 1.00 0.00 N ATOM 0 H GLN A 78 -12.526 -0.143 -19.143 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.489 -2.074 -17.090 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.003 -0.753 -19.439 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.171 -1.461 -18.068 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.936 -3.674 -18.586 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.227 -3.086 -19.616 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.208 -1.483 -21.489 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.840 -2.212 -22.335 1.00 0.00 H new ATOM 701 N GLY A 79 -10.580 1.044 -17.538 1.00 0.00 N ATOM 702 CA GLY A 79 -10.344 2.296 -16.767 1.00 0.00 C ATOM 703 C GLY A 79 -8.894 2.315 -16.286 1.00 0.00 C ATOM 704 O GLY A 79 -7.975 2.491 -17.061 1.00 0.00 O ATOM 0 H GLY A 79 -10.309 1.081 -18.521 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.546 3.167 -17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.024 2.349 -15.917 1.00 0.00 H new ATOM 708 N GLY A 80 -8.681 2.122 -15.016 1.00 0.00 N ATOM 709 CA GLY A 80 -7.291 2.116 -14.488 1.00 0.00 C ATOM 710 C GLY A 80 -6.820 0.670 -14.319 1.00 0.00 C ATOM 711 O GLY A 80 -5.676 0.348 -14.571 1.00 0.00 O ATOM 0 H GLY A 80 -9.411 1.968 -14.320 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.628 2.649 -15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.251 2.638 -13.532 1.00 0.00 H new ATOM 715 N ASP A 81 -7.691 -0.209 -13.894 1.00 0.00 N ATOM 716 CA ASP A 81 -7.277 -1.632 -13.712 1.00 0.00 C ATOM 717 C ASP A 81 -8.242 -2.580 -14.432 1.00 0.00 C ATOM 718 O ASP A 81 -9.447 -2.442 -14.344 1.00 0.00 O ATOM 719 CB ASP A 81 -7.311 -1.868 -12.201 1.00 0.00 C ATOM 720 CG ASP A 81 -8.684 -1.483 -11.646 1.00 0.00 C ATOM 721 OD1 ASP A 81 -9.522 -1.066 -12.428 1.00 0.00 O ATOM 722 OD2 ASP A 81 -8.872 -1.611 -10.448 1.00 0.00 O ATOM 0 H ASP A 81 -8.664 -0.005 -13.667 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.290 -1.823 -14.133 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.101 -2.915 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.534 -1.279 -11.714 1.00 0.00 H new ATOM 727 N LEU A 82 -7.718 -3.547 -15.146 1.00 0.00 N ATOM 728 CA LEU A 82 -8.606 -4.504 -15.870 1.00 0.00 C ATOM 729 C LEU A 82 -8.669 -5.839 -15.120 1.00 0.00 C ATOM 730 O LEU A 82 -9.329 -6.767 -15.542 1.00 0.00 O ATOM 731 CB LEU A 82 -7.965 -4.684 -17.248 1.00 0.00 C ATOM 732 CG LEU A 82 -6.723 -5.567 -17.130 1.00 0.00 C ATOM 733 CD1 LEU A 82 -7.085 -7.006 -17.499 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.644 -5.052 -18.087 1.00 0.00 C ATOM 0 H LEU A 82 -6.718 -3.713 -15.257 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.630 -4.138 -15.948 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.680 -5.136 -17.935 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.694 -3.713 -17.663 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.349 -5.538 -16.107 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.200 -7.637 -17.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.857 -7.372 -16.822 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.457 -7.036 -18.523 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.756 -5.679 -18.006 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.019 -5.085 -19.110 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.388 -4.025 -17.827 1.00 0.00 H new ATOM 746 N GLY A 83 -7.999 -5.937 -14.004 1.00 0.00 N ATOM 747 CA GLY A 83 -8.037 -7.207 -13.226 1.00 0.00 C ATOM 748 C GLY A 83 -6.773 -8.030 -13.480 1.00 0.00 C ATOM 749 O GLY A 83 -5.658 -7.522 -13.460 1.00 0.00 O ATOM 0 H GLY A 83 -7.429 -5.195 -13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.126 -6.986 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.917 -7.786 -13.506 1.00 0.00 H new ATOM 753 N TRP A 84 -6.939 -9.309 -13.703 1.00 0.00 N ATOM 754 CA TRP A 84 -5.763 -10.190 -13.944 1.00 0.00 C ATOM 755 C TRP A 84 -5.565 -10.440 -15.442 1.00 0.00 C ATOM 756 O TRP A 84 -6.493 -10.366 -16.224 1.00 0.00 O ATOM 757 CB TRP A 84 -6.098 -11.499 -13.227 1.00 0.00 C ATOM 758 CG TRP A 84 -5.682 -11.403 -11.792 1.00 0.00 C ATOM 759 CD1 TRP A 84 -4.453 -11.709 -11.314 1.00 0.00 C ATOM 760 CD2 TRP A 84 -6.472 -10.976 -10.643 1.00 0.00 C ATOM 761 NE1 TRP A 84 -4.439 -11.496 -9.946 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.660 -11.043 -9.486 1.00 0.00 C ATOM 763 CE3 TRP A 84 -7.801 -10.540 -10.497 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -6.150 -10.691 -8.227 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -8.297 -10.186 -9.232 1.00 0.00 C ATOM 766 CH2 TRP A 84 -7.473 -10.260 -8.100 1.00 0.00 C ATOM 0 H TRP A 84 -7.843 -9.780 -13.728 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.839 -9.741 -13.579 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.167 -11.699 -13.294 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.587 -12.332 -13.710 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.620 -12.062 -11.903 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.626 -11.654 -9.351 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -8.444 -10.477 -11.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.511 -10.751 -7.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -9.320 -9.855 -9.130 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.861 -9.984 -7.130 1.00 0.00 H new ATOM 777 N MET A 85 -4.364 -10.751 -15.840 1.00 0.00 N ATOM 778 CA MET A 85 -4.092 -11.025 -17.281 1.00 0.00 C ATOM 779 C MET A 85 -3.401 -12.380 -17.420 1.00 0.00 C ATOM 780 O MET A 85 -2.474 -12.689 -16.697 1.00 0.00 O ATOM 781 CB MET A 85 -3.160 -9.905 -17.737 1.00 0.00 C ATOM 782 CG MET A 85 -3.915 -8.581 -17.734 1.00 0.00 C ATOM 783 SD MET A 85 -3.826 -7.831 -19.380 1.00 0.00 S ATOM 784 CE MET A 85 -2.107 -7.272 -19.285 1.00 0.00 C ATOM 0 H MET A 85 -3.553 -10.828 -15.226 1.00 0.00 H new ATOM 0 HA MET A 85 -5.004 -11.056 -17.878 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.296 -9.844 -17.075 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.781 -10.117 -18.737 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.955 -8.744 -17.453 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.486 -7.907 -16.992 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.622 -7.422 -20.249 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.082 -6.213 -19.027 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.580 -7.844 -18.521 1.00 0.00 H new ATOM 794 N THR A 86 -3.842 -13.198 -18.334 1.00 0.00 N ATOM 795 CA THR A 86 -3.202 -14.534 -18.494 1.00 0.00 C ATOM 796 C THR A 86 -2.813 -14.785 -19.953 1.00 0.00 C ATOM 797 O THR A 86 -1.796 -15.384 -20.234 1.00 0.00 O ATOM 798 CB THR A 86 -4.265 -15.535 -18.047 1.00 0.00 C ATOM 799 OG1 THR A 86 -5.316 -15.564 -19.003 1.00 0.00 O ATOM 800 CG2 THR A 86 -4.826 -15.118 -16.687 1.00 0.00 C ATOM 0 H THR A 86 -4.612 -13.002 -18.973 1.00 0.00 H new ATOM 0 HA THR A 86 -2.284 -14.615 -17.912 1.00 0.00 H new ATOM 0 HB THR A 86 -3.817 -16.525 -17.964 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.999 -16.207 -18.719 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.584 -15.834 -16.371 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.021 -15.095 -15.953 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.274 -14.127 -16.766 1.00 0.00 H new ATOM 808 N ARG A 87 -3.618 -14.355 -20.887 1.00 0.00 N ATOM 809 CA ARG A 87 -3.284 -14.605 -22.321 1.00 0.00 C ATOM 810 C ARG A 87 -3.054 -13.296 -23.080 1.00 0.00 C ATOM 811 O ARG A 87 -2.523 -13.293 -24.173 1.00 0.00 O ATOM 812 CB ARG A 87 -4.504 -15.327 -22.887 1.00 0.00 C ATOM 813 CG ARG A 87 -4.693 -16.661 -22.165 1.00 0.00 C ATOM 814 CD ARG A 87 -5.427 -17.635 -23.090 1.00 0.00 C ATOM 815 NE ARG A 87 -6.863 -17.528 -22.708 1.00 0.00 N ATOM 816 CZ ARG A 87 -7.589 -16.542 -23.163 1.00 0.00 C ATOM 817 NH1 ARG A 87 -7.427 -16.121 -24.388 1.00 0.00 N ATOM 818 NH2 ARG A 87 -8.479 -15.978 -22.393 1.00 0.00 N ATOM 0 H ARG A 87 -4.486 -13.845 -20.722 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.365 -15.184 -22.419 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.393 -14.708 -22.767 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.375 -15.496 -23.956 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.726 -17.073 -21.878 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.262 -16.514 -21.247 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.277 -17.372 -24.137 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.060 -18.653 -22.961 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.280 -18.225 -22.091 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.733 -16.562 -24.991 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.995 -15.351 -24.742 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.608 -16.307 -21.436 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.046 -15.208 -22.748 1.00 0.00 H new ATOM 832 N GLY A 88 -3.452 -12.186 -22.523 1.00 0.00 N ATOM 833 CA GLY A 88 -3.255 -10.890 -23.235 1.00 0.00 C ATOM 834 C GLY A 88 -4.587 -10.144 -23.319 1.00 0.00 C ATOM 835 O GLY A 88 -5.589 -10.583 -22.792 1.00 0.00 O ATOM 0 H GLY A 88 -3.903 -12.119 -21.611 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.519 -10.282 -22.709 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.863 -11.069 -24.236 1.00 0.00 H new ATOM 839 N SER A 89 -4.601 -9.015 -23.975 1.00 0.00 N ATOM 840 CA SER A 89 -5.871 -8.237 -24.088 1.00 0.00 C ATOM 841 C SER A 89 -6.000 -7.602 -25.479 1.00 0.00 C ATOM 842 O SER A 89 -7.089 -7.436 -25.990 1.00 0.00 O ATOM 843 CB SER A 89 -5.766 -7.157 -23.012 1.00 0.00 C ATOM 844 OG SER A 89 -6.727 -6.142 -23.270 1.00 0.00 O ATOM 0 H SER A 89 -3.792 -8.598 -24.436 1.00 0.00 H new ATOM 0 HA SER A 89 -6.750 -8.868 -23.955 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.935 -7.592 -22.027 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.763 -6.731 -23.005 1.00 0.00 H new ATOM 0 HG SER A 89 -6.663 -5.448 -22.581 1.00 0.00 H new ATOM 850 N MET A 90 -4.906 -7.236 -26.095 1.00 0.00 N ATOM 851 CA MET A 90 -4.998 -6.605 -27.444 1.00 0.00 C ATOM 852 C MET A 90 -4.592 -7.598 -28.544 1.00 0.00 C ATOM 853 O MET A 90 -4.872 -8.777 -28.459 1.00 0.00 O ATOM 854 CB MET A 90 -4.046 -5.410 -27.397 1.00 0.00 C ATOM 855 CG MET A 90 -4.440 -4.494 -26.234 1.00 0.00 C ATOM 856 SD MET A 90 -6.114 -3.865 -26.507 1.00 0.00 S ATOM 857 CE MET A 90 -5.741 -2.110 -26.266 1.00 0.00 C ATOM 0 H MET A 90 -3.961 -7.346 -25.726 1.00 0.00 H new ATOM 0 HA MET A 90 -6.017 -6.296 -27.679 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.019 -5.753 -27.273 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.087 -4.861 -28.338 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.394 -5.042 -25.293 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.736 -3.665 -26.155 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.346 -1.512 -26.948 1.00 0.00 H new ATOM 0 HE2 MET A 90 -5.967 -1.828 -25.238 1.00 0.00 H new ATOM 0 HE3 MET A 90 -4.685 -1.932 -26.467 1.00 0.00 H new ATOM 867 N VAL A 91 -3.960 -7.127 -29.590 1.00 0.00 N ATOM 868 CA VAL A 91 -3.577 -8.048 -30.704 1.00 0.00 C ATOM 869 C VAL A 91 -2.220 -8.729 -30.463 1.00 0.00 C ATOM 870 O VAL A 91 -1.991 -9.826 -30.931 1.00 0.00 O ATOM 871 CB VAL A 91 -3.510 -7.164 -31.954 1.00 0.00 C ATOM 872 CG1 VAL A 91 -4.820 -6.391 -32.112 1.00 0.00 C ATOM 873 CG2 VAL A 91 -2.350 -6.174 -31.823 1.00 0.00 C ATOM 0 H VAL A 91 -3.694 -6.151 -29.721 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.301 -8.858 -30.797 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.354 -7.795 -32.829 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.767 -5.764 -33.002 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.647 -7.094 -32.211 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.980 -5.764 -31.235 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.305 -5.547 -32.713 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.504 -5.547 -30.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.414 -6.722 -31.718 1.00 0.00 H new ATOM 883 N GLY A 92 -1.311 -8.108 -29.758 1.00 0.00 N ATOM 884 CA GLY A 92 0.007 -8.778 -29.548 1.00 0.00 C ATOM 885 C GLY A 92 0.983 -7.888 -28.764 1.00 0.00 C ATOM 886 O GLY A 92 1.527 -8.317 -27.767 1.00 0.00 O ATOM 0 H GLY A 92 -1.418 -7.189 -29.328 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.143 -9.714 -29.010 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.443 -9.032 -30.514 1.00 0.00 H new ATOM 890 N PRO A 93 1.202 -6.688 -29.245 1.00 0.00 N ATOM 891 CA PRO A 93 2.158 -5.766 -28.572 1.00 0.00 C ATOM 892 C PRO A 93 1.710 -5.420 -27.146 1.00 0.00 C ATOM 893 O PRO A 93 2.524 -5.123 -26.295 1.00 0.00 O ATOM 894 CB PRO A 93 2.167 -4.535 -29.479 1.00 0.00 C ATOM 895 CG PRO A 93 0.865 -4.598 -30.205 1.00 0.00 C ATOM 896 CD PRO A 93 0.597 -6.061 -30.430 1.00 0.00 C ATOM 0 HA PRO A 93 3.148 -6.205 -28.449 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.255 -3.616 -28.900 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.009 -4.558 -30.171 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.068 -4.139 -29.620 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.917 -4.059 -31.151 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.470 -6.271 -30.498 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.052 -6.418 -31.354 1.00 0.00 H new ATOM 904 N PHE A 94 0.436 -5.459 -26.866 1.00 0.00 N ATOM 905 CA PHE A 94 -0.016 -5.134 -25.480 1.00 0.00 C ATOM 906 C PHE A 94 0.391 -6.255 -24.522 1.00 0.00 C ATOM 907 O PHE A 94 1.012 -6.020 -23.504 1.00 0.00 O ATOM 908 CB PHE A 94 -1.537 -5.036 -25.556 1.00 0.00 C ATOM 909 CG PHE A 94 -2.078 -4.637 -24.202 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.110 -3.288 -23.826 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.544 -5.620 -23.321 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.610 -2.923 -22.569 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.043 -5.255 -22.064 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.076 -3.907 -21.688 1.00 0.00 C ATOM 0 H PHE A 94 -0.304 -5.698 -27.526 1.00 0.00 H new ATOM 0 HA PHE A 94 0.430 -4.210 -25.113 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.829 -4.303 -26.308 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.960 -5.993 -25.862 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.749 -2.529 -24.505 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.519 -6.660 -23.611 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.636 -1.883 -22.279 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.402 -6.014 -21.385 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.461 -3.626 -20.719 1.00 0.00 H new ATOM 924 N GLN A 95 0.050 -7.472 -24.843 1.00 0.00 N ATOM 925 CA GLN A 95 0.422 -8.606 -23.953 1.00 0.00 C ATOM 926 C GLN A 95 1.924 -8.882 -24.075 1.00 0.00 C ATOM 927 O GLN A 95 2.560 -9.326 -23.140 1.00 0.00 O ATOM 928 CB GLN A 95 -0.402 -9.792 -24.462 1.00 0.00 C ATOM 929 CG GLN A 95 -0.062 -11.043 -23.652 1.00 0.00 C ATOM 930 CD GLN A 95 0.219 -12.203 -24.608 1.00 0.00 C ATOM 931 OE1 GLN A 95 0.706 -11.999 -25.702 1.00 0.00 O ATOM 932 NE2 GLN A 95 -0.069 -13.422 -24.240 1.00 0.00 N ATOM 0 H GLN A 95 -0.470 -7.730 -25.682 1.00 0.00 H new ATOM 0 HA GLN A 95 0.221 -8.405 -22.901 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.466 -9.571 -24.377 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.195 -9.964 -25.518 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.808 -10.857 -23.022 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.888 -11.296 -22.988 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.478 -13.594 -23.322 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.115 -14.202 -24.871 1.00 0.00 H new ATOM 941 N GLU A 96 2.496 -8.605 -25.216 1.00 0.00 N ATOM 942 CA GLU A 96 3.959 -8.837 -25.393 1.00 0.00 C ATOM 943 C GLU A 96 4.751 -7.817 -24.567 1.00 0.00 C ATOM 944 O GLU A 96 5.873 -8.065 -24.171 1.00 0.00 O ATOM 945 CB GLU A 96 4.218 -8.639 -26.888 1.00 0.00 C ATOM 946 CG GLU A 96 3.698 -9.850 -27.666 1.00 0.00 C ATOM 947 CD GLU A 96 3.691 -9.528 -29.162 1.00 0.00 C ATOM 948 OE1 GLU A 96 3.595 -8.359 -29.496 1.00 0.00 O ATOM 949 OE2 GLU A 96 3.781 -10.457 -29.948 1.00 0.00 O ATOM 0 H GLU A 96 2.014 -8.229 -26.032 1.00 0.00 H new ATOM 0 HA GLU A 96 4.266 -9.828 -25.060 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.724 -7.732 -27.236 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.285 -8.510 -27.068 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.328 -10.718 -27.473 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.692 -10.105 -27.333 1.00 0.00 H new ATOM 956 N ALA A 97 4.175 -6.675 -24.300 1.00 0.00 N ATOM 957 CA ALA A 97 4.896 -5.646 -23.492 1.00 0.00 C ATOM 958 C ALA A 97 4.652 -5.894 -22.002 1.00 0.00 C ATOM 959 O ALA A 97 5.578 -6.014 -21.222 1.00 0.00 O ATOM 960 CB ALA A 97 4.298 -4.303 -23.917 1.00 0.00 C ATOM 0 H ALA A 97 3.239 -6.410 -24.605 1.00 0.00 H new ATOM 0 HA ALA A 97 5.974 -5.674 -23.654 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.781 -3.498 -23.363 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.458 -4.155 -24.985 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.229 -4.298 -23.706 1.00 0.00 H new ATOM 966 N ALA A 98 3.412 -5.978 -21.601 1.00 0.00 N ATOM 967 CA ALA A 98 3.109 -6.227 -20.163 1.00 0.00 C ATOM 968 C ALA A 98 3.894 -7.449 -19.673 1.00 0.00 C ATOM 969 O ALA A 98 4.564 -7.405 -18.661 1.00 0.00 O ATOM 970 CB ALA A 98 1.606 -6.506 -20.116 1.00 0.00 C ATOM 0 H ALA A 98 2.597 -5.885 -22.207 1.00 0.00 H new ATOM 0 HA ALA A 98 3.386 -5.386 -19.527 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.304 -6.700 -19.087 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.063 -5.641 -20.497 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.378 -7.377 -20.731 1.00 0.00 H new ATOM 976 N PHE A 99 3.812 -8.539 -20.389 1.00 0.00 N ATOM 977 CA PHE A 99 4.551 -9.767 -19.972 1.00 0.00 C ATOM 978 C PHE A 99 6.044 -9.625 -20.298 1.00 0.00 C ATOM 979 O PHE A 99 6.867 -10.380 -19.818 1.00 0.00 O ATOM 980 CB PHE A 99 3.926 -10.905 -20.790 1.00 0.00 C ATOM 981 CG PHE A 99 2.538 -11.214 -20.270 1.00 0.00 C ATOM 982 CD1 PHE A 99 1.472 -10.352 -20.563 1.00 0.00 C ATOM 983 CD2 PHE A 99 2.315 -12.364 -19.499 1.00 0.00 C ATOM 984 CE1 PHE A 99 0.187 -10.639 -20.086 1.00 0.00 C ATOM 985 CE2 PHE A 99 1.028 -12.650 -19.023 1.00 0.00 C ATOM 986 CZ PHE A 99 -0.035 -11.787 -19.316 1.00 0.00 C ATOM 0 H PHE A 99 3.265 -8.632 -21.245 1.00 0.00 H new ATOM 0 HA PHE A 99 4.477 -9.949 -18.900 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.875 -10.623 -21.842 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.553 -11.795 -20.729 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.642 -9.466 -21.157 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.135 -13.029 -19.272 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.633 -9.974 -20.312 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.856 -13.536 -18.430 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.026 -12.007 -18.948 1.00 0.00 H new ATOM 996 N ALA A 100 6.401 -8.667 -21.113 1.00 0.00 N ATOM 997 CA ALA A 100 7.840 -8.484 -21.473 1.00 0.00 C ATOM 998 C ALA A 100 8.648 -8.020 -20.256 1.00 0.00 C ATOM 999 O ALA A 100 9.600 -8.662 -19.859 1.00 0.00 O ATOM 1000 CB ALA A 100 7.846 -7.413 -22.563 1.00 0.00 C ATOM 0 H ALA A 100 5.759 -8.003 -21.545 1.00 0.00 H new ATOM 0 HA ALA A 100 8.296 -9.414 -21.812 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.871 -7.223 -22.880 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.260 -7.758 -23.415 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.411 -6.493 -22.172 1.00 0.00 H new ATOM 1006 N LEU A 101 8.286 -6.910 -19.664 1.00 0.00 N ATOM 1007 CA LEU A 101 9.047 -6.418 -18.474 1.00 0.00 C ATOM 1008 C LEU A 101 9.402 -7.595 -17.559 1.00 0.00 C ATOM 1009 O LEU A 101 8.528 -8.295 -17.088 1.00 0.00 O ATOM 1010 CB LEU A 101 8.096 -5.457 -17.758 1.00 0.00 C ATOM 1011 CG LEU A 101 8.236 -4.055 -18.354 1.00 0.00 C ATOM 1012 CD1 LEU A 101 7.837 -4.085 -19.831 1.00 0.00 C ATOM 1013 CD2 LEU A 101 7.319 -3.088 -17.598 1.00 0.00 C ATOM 0 H LEU A 101 7.501 -6.325 -19.951 1.00 0.00 H new ATOM 0 HA LEU A 101 9.981 -5.931 -18.754 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.068 -5.805 -17.859 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.321 -5.434 -16.692 1.00 0.00 H new ATOM 0 HG LEU A 101 9.270 -3.723 -18.265 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.937 -3.086 -20.255 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.487 -4.775 -20.370 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.802 -4.416 -19.922 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.417 -2.088 -18.021 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.285 -3.421 -17.689 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.602 -3.066 -16.546 1.00 0.00 H new ATOM 1138 N VAL A 110 7.591 -1.976 -12.395 1.00 0.00 N ATOM 1139 CA VAL A 110 6.896 -0.707 -12.031 1.00 0.00 C ATOM 1140 C VAL A 110 5.857 -0.300 -13.093 1.00 0.00 C ATOM 1141 O VAL A 110 4.686 -0.592 -12.962 1.00 0.00 O ATOM 1142 CB VAL A 110 8.026 0.330 -11.919 1.00 0.00 C ATOM 1143 CG1 VAL A 110 9.080 0.084 -13.006 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.454 1.741 -12.070 1.00 0.00 C ATOM 0 HA VAL A 110 6.330 -0.802 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 110 8.495 0.233 -10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.875 0.825 -12.916 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.500 -0.915 -12.887 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.616 0.167 -13.989 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.260 2.471 -11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.974 1.837 -13.044 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.721 1.922 -11.284 1.00 0.00 H new ATOM 1154 N PHE A 111 6.265 0.389 -14.130 1.00 0.00 N ATOM 1155 CA PHE A 111 5.282 0.824 -15.170 1.00 0.00 C ATOM 1156 C PHE A 111 5.811 0.546 -16.579 1.00 0.00 C ATOM 1157 O PHE A 111 7.003 0.466 -16.804 1.00 0.00 O ATOM 1158 CB PHE A 111 5.137 2.331 -14.954 1.00 0.00 C ATOM 1159 CG PHE A 111 3.833 2.812 -15.546 1.00 0.00 C ATOM 1160 CD1 PHE A 111 3.714 3.005 -16.929 1.00 0.00 C ATOM 1161 CD2 PHE A 111 2.746 3.071 -14.707 1.00 0.00 C ATOM 1162 CE1 PHE A 111 2.502 3.458 -17.470 1.00 0.00 C ATOM 1163 CE2 PHE A 111 1.538 3.522 -15.246 1.00 0.00 C ATOM 1164 CZ PHE A 111 1.414 3.716 -16.627 1.00 0.00 C ATOM 0 H PHE A 111 7.231 0.668 -14.301 1.00 0.00 H new ATOM 0 HA PHE A 111 4.336 0.290 -15.082 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.169 2.559 -13.889 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.972 2.856 -15.418 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.554 2.805 -17.577 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.839 2.923 -13.641 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.408 3.608 -18.535 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.699 3.721 -14.596 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.480 4.064 -17.042 1.00 0.00 H new ATOM 1174 N THR A 112 4.928 0.417 -17.533 1.00 0.00 N ATOM 1175 CA THR A 112 5.372 0.163 -18.932 1.00 0.00 C ATOM 1176 C THR A 112 6.032 1.422 -19.501 1.00 0.00 C ATOM 1177 O THR A 112 5.539 2.014 -20.437 1.00 0.00 O ATOM 1178 CB THR A 112 4.090 -0.147 -19.711 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.123 0.855 -19.439 1.00 0.00 O ATOM 1180 CG2 THR A 112 3.540 -1.512 -19.298 1.00 0.00 C ATOM 0 H THR A 112 3.918 0.477 -17.403 1.00 0.00 H new ATOM 0 HA THR A 112 6.096 -0.650 -18.993 1.00 0.00 H new ATOM 0 HB THR A 112 4.315 -0.164 -20.777 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.459 1.725 -19.741 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.629 -1.722 -19.858 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.282 -2.282 -19.510 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.317 -1.507 -18.231 1.00 0.00 H new ATOM 1188 N ASP A 113 7.133 1.844 -18.941 1.00 0.00 N ATOM 1189 CA ASP A 113 7.802 3.073 -19.462 1.00 0.00 C ATOM 1190 C ASP A 113 8.948 2.694 -20.414 1.00 0.00 C ATOM 1191 O ASP A 113 9.772 1.867 -20.077 1.00 0.00 O ATOM 1192 CB ASP A 113 8.352 3.786 -18.224 1.00 0.00 C ATOM 1193 CG ASP A 113 9.430 2.919 -17.572 1.00 0.00 C ATOM 1194 OD1 ASP A 113 9.359 1.710 -17.716 1.00 0.00 O ATOM 1195 OD2 ASP A 113 10.310 3.481 -16.940 1.00 0.00 O ATOM 0 H ASP A 113 7.597 1.396 -18.151 1.00 0.00 H new ATOM 0 HA ASP A 113 7.115 3.705 -20.025 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.769 4.754 -18.504 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.547 3.979 -17.515 1.00 0.00 H new ATOM 1200 N PRO A 114 8.974 3.310 -21.576 1.00 0.00 N ATOM 1201 CA PRO A 114 7.948 4.315 -21.951 1.00 0.00 C ATOM 1202 C PRO A 114 6.634 3.616 -22.303 1.00 0.00 C ATOM 1203 O PRO A 114 6.592 2.410 -22.448 1.00 0.00 O ATOM 1204 CB PRO A 114 8.547 5.007 -23.172 1.00 0.00 C ATOM 1205 CG PRO A 114 9.490 4.008 -23.761 1.00 0.00 C ATOM 1206 CD PRO A 114 9.969 3.122 -22.638 1.00 0.00 C ATOM 0 HA PRO A 114 7.717 5.016 -21.149 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.773 5.287 -23.886 1.00 0.00 H new ATOM 0 HB3 PRO A 114 9.067 5.923 -22.891 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.992 3.417 -24.530 1.00 0.00 H new ATOM 0 HG3 PRO A 114 10.331 4.510 -24.239 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.025 2.079 -22.950 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.966 3.408 -22.304 1.00 0.00 H new ATOM 1214 N PRO A 115 5.602 4.402 -22.426 1.00 0.00 N ATOM 1215 CA PRO A 115 4.264 3.856 -22.753 1.00 0.00 C ATOM 1216 C PRO A 115 4.228 3.364 -24.201 1.00 0.00 C ATOM 1217 O PRO A 115 5.156 3.573 -24.957 1.00 0.00 O ATOM 1218 CB PRO A 115 3.328 5.045 -22.542 1.00 0.00 C ATOM 1219 CG PRO A 115 4.194 6.253 -22.707 1.00 0.00 C ATOM 1220 CD PRO A 115 5.586 5.860 -22.284 1.00 0.00 C ATOM 0 HA PRO A 115 3.986 2.998 -22.141 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.514 5.040 -23.267 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.873 5.018 -21.552 1.00 0.00 H new ATOM 0 HG2 PRO A 115 4.188 6.593 -23.742 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.825 7.078 -22.098 1.00 0.00 H new ATOM 0 HD2 PRO A 115 6.342 6.330 -22.913 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.792 6.163 -21.257 1.00 0.00 H new ATOM 1228 N VAL A 116 3.176 2.703 -24.591 1.00 0.00 N ATOM 1229 CA VAL A 116 3.104 2.194 -25.990 1.00 0.00 C ATOM 1230 C VAL A 116 2.159 3.062 -26.829 1.00 0.00 C ATOM 1231 O VAL A 116 1.214 3.636 -26.324 1.00 0.00 O ATOM 1232 CB VAL A 116 2.566 0.768 -25.863 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.537 -0.077 -25.036 1.00 0.00 C ATOM 1234 CG2 VAL A 116 1.205 0.799 -25.168 1.00 0.00 C ATOM 0 H VAL A 116 2.367 2.493 -24.007 1.00 0.00 H new ATOM 0 HA VAL A 116 4.072 2.220 -26.489 1.00 0.00 H new ATOM 0 HB VAL A 116 2.461 0.332 -26.856 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.151 -1.092 -24.947 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.509 -0.100 -25.528 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.643 0.359 -24.043 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.820 -0.217 -25.077 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.313 1.237 -24.176 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.510 1.399 -25.755 1.00 0.00 H new ATOM 1244 N LYS A 117 2.409 3.160 -28.106 1.00 0.00 N ATOM 1245 CA LYS A 117 1.530 3.984 -28.986 1.00 0.00 C ATOM 1246 C LYS A 117 0.791 3.071 -29.969 1.00 0.00 C ATOM 1247 O LYS A 117 1.383 2.196 -30.572 1.00 0.00 O ATOM 1248 CB LYS A 117 2.485 4.914 -29.736 1.00 0.00 C ATOM 1249 CG LYS A 117 3.249 5.781 -28.734 1.00 0.00 C ATOM 1250 CD LYS A 117 4.171 6.738 -29.487 1.00 0.00 C ATOM 1251 CE LYS A 117 5.255 5.940 -30.212 1.00 0.00 C ATOM 1252 NZ LYS A 117 6.290 6.944 -30.582 1.00 0.00 N ATOM 0 H LYS A 117 3.188 2.703 -28.581 1.00 0.00 H new ATOM 0 HA LYS A 117 0.777 4.540 -28.428 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.184 4.329 -30.333 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.926 5.545 -30.427 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.549 6.344 -28.116 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.832 5.151 -28.062 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.596 7.325 -30.204 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.627 7.442 -28.792 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.670 5.164 -29.569 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.855 5.442 -31.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.068 6.471 -31.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.868 7.666 -31.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.658 7.397 -29.721 1.00 0.00 H new ATOM 1266 N THR A 118 -0.493 3.246 -30.134 1.00 0.00 N ATOM 1267 CA THR A 118 -1.235 2.355 -31.074 1.00 0.00 C ATOM 1268 C THR A 118 -2.261 3.140 -31.900 1.00 0.00 C ATOM 1269 O THR A 118 -2.387 4.344 -31.782 1.00 0.00 O ATOM 1270 CB THR A 118 -1.932 1.340 -30.172 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.837 2.016 -29.312 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.887 0.599 -29.334 1.00 0.00 C ATOM 0 H THR A 118 -1.055 3.957 -29.666 1.00 0.00 H new ATOM 0 HA THR A 118 -0.569 1.885 -31.797 1.00 0.00 H new ATOM 0 HB THR A 118 -2.479 0.624 -30.785 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.014 1.462 -28.523 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.385 -0.126 -28.690 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.192 0.081 -29.994 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.339 1.314 -28.720 1.00 0.00 H new ATOM 1280 N LYS A 119 -2.993 2.455 -32.744 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.010 3.141 -33.593 1.00 0.00 C ATOM 1282 C LYS A 119 -5.299 3.375 -32.800 1.00 0.00 C ATOM 1283 O LYS A 119 -6.116 4.199 -33.158 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.260 2.185 -34.761 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.020 2.152 -35.657 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.349 1.433 -36.966 1.00 0.00 C ATOM 1287 CE LYS A 119 -2.556 2.070 -38.110 1.00 0.00 C ATOM 1288 NZ LYS A 119 -3.588 2.609 -39.038 1.00 0.00 N ATOM 0 H LYS A 119 -2.928 1.446 -32.880 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.670 4.119 -33.933 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.480 1.185 -34.388 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.129 2.510 -35.333 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.682 3.167 -35.864 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.204 1.642 -35.146 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.103 0.374 -36.884 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.418 1.497 -37.170 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.902 2.861 -37.744 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.922 1.336 -38.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.122 3.062 -39.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.192 1.832 -39.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.172 3.310 -38.538 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.481 2.673 -31.712 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.717 2.892 -30.898 1.00 0.00 C ATOM 1304 C PHE A 120 -6.444 3.957 -29.833 1.00 0.00 C ATOM 1305 O PHE A 120 -7.315 4.318 -29.066 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.095 1.550 -30.239 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.885 0.667 -30.030 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.448 -0.187 -31.051 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.210 0.698 -28.809 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.333 -1.009 -30.847 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.094 -0.124 -28.603 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.657 -0.979 -29.621 1.00 0.00 C ATOM 0 H PHE A 120 -4.838 1.967 -31.354 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.539 3.239 -31.524 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.577 1.739 -29.280 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.821 1.030 -30.864 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.971 -0.211 -31.996 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.548 1.356 -28.022 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.995 -1.666 -31.635 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.571 -0.098 -27.658 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.799 -1.615 -29.461 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.243 4.470 -29.788 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.918 5.521 -28.784 1.00 0.00 C ATOM 1324 C GLY A 121 -3.602 5.187 -28.080 1.00 0.00 C ATOM 1325 O GLY A 121 -2.937 4.217 -28.395 1.00 0.00 O ATOM 0 H GLY A 121 -4.474 4.206 -30.404 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.841 6.492 -29.274 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.722 5.596 -28.052 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.228 5.987 -27.119 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.963 5.732 -26.375 1.00 0.00 C ATOM 1331 C TYR A 122 -2.286 5.076 -25.033 1.00 0.00 C ATOM 1332 O TYR A 122 -3.370 5.229 -24.507 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.347 7.117 -26.187 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.083 7.715 -27.547 1.00 0.00 C ATOM 1335 CD1 TYR A 122 0.055 7.330 -28.256 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.975 8.643 -28.102 1.00 0.00 C ATOM 1337 CE1 TYR A 122 0.310 7.869 -29.521 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.717 9.182 -29.369 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.577 8.794 -30.077 1.00 0.00 C ATOM 1340 OH TYR A 122 -0.325 9.325 -31.325 1.00 0.00 O ATOM 0 H TYR A 122 -3.748 6.811 -26.816 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.281 5.059 -26.895 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.021 7.757 -25.617 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.420 7.045 -25.619 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.741 6.614 -27.827 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.857 8.941 -27.555 1.00 0.00 H new ATOM 0 HE1 TYR A 122 1.192 7.570 -30.068 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -2.401 9.899 -29.799 1.00 0.00 H new ATOM 0 HH TYR A 122 0.168 8.672 -31.865 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.372 4.321 -24.483 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.676 3.642 -23.190 1.00 0.00 C ATOM 1352 C HIS A 123 -0.474 3.621 -22.251 1.00 0.00 C ATOM 1353 O HIS A 123 0.650 3.377 -22.651 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.033 2.203 -23.568 1.00 0.00 C ATOM 1355 CG HIS A 123 -2.911 2.194 -24.782 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.239 1.822 -24.720 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.669 2.520 -26.093 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.748 1.934 -25.957 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -3.834 2.356 -26.835 1.00 0.00 N ATOM 0 H HIS A 123 -0.443 4.147 -24.866 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.474 4.167 -22.666 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.124 1.633 -23.762 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.543 1.716 -22.737 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.720 2.853 -26.488 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.773 1.710 -26.212 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.963 2.522 -27.833 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.729 3.807 -20.987 1.00 0.00 N ATOM 1368 CA ILE A 124 0.361 3.726 -19.977 1.00 0.00 C ATOM 1369 C ILE A 124 -0.078 2.685 -18.947 1.00 0.00 C ATOM 1370 O ILE A 124 -1.070 2.848 -18.265 1.00 0.00 O ATOM 1371 CB ILE A 124 0.509 5.130 -19.372 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -0.854 5.675 -18.931 1.00 0.00 C ATOM 1373 CG2 ILE A 124 1.126 6.068 -20.413 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -1.647 6.185 -20.142 1.00 0.00 C ATOM 0 H ILE A 124 -1.653 4.013 -20.608 1.00 0.00 H new ATOM 0 HA ILE A 124 1.326 3.425 -20.384 1.00 0.00 H new ATOM 0 HB ILE A 124 1.157 5.070 -18.498 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.418 4.893 -18.423 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.714 6.484 -18.214 1.00 0.00 H new ATOM 0 HG21 ILE A 124 1.232 7.065 -19.986 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.106 5.692 -20.706 1.00 0.00 H new ATOM 0 HG23 ILE A 124 0.479 6.115 -21.289 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.612 6.568 -19.810 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.089 6.983 -20.633 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.804 5.367 -20.845 1.00 0.00 H new ATOM 1386 N ILE A 125 0.622 1.588 -18.868 1.00 0.00 N ATOM 1387 CA ILE A 125 0.201 0.503 -17.927 1.00 0.00 C ATOM 1388 C ILE A 125 1.064 0.466 -16.666 1.00 0.00 C ATOM 1389 O ILE A 125 2.191 0.918 -16.639 1.00 0.00 O ATOM 1390 CB ILE A 125 0.360 -0.826 -18.695 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.344 -0.584 -20.218 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -0.780 -1.776 -18.312 1.00 0.00 C ATOM 1393 CD1 ILE A 125 -0.034 -1.871 -20.961 1.00 0.00 C ATOM 0 H ILE A 125 1.464 1.393 -19.410 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.825 0.676 -17.601 1.00 0.00 H new ATOM 0 HB ILE A 125 1.318 -1.271 -18.427 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.368 0.205 -20.460 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.324 -0.241 -20.548 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.669 -2.715 -18.854 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.747 -1.970 -17.240 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.736 -1.320 -18.569 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.041 -1.683 -22.035 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.694 -2.650 -20.734 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.025 -2.197 -20.644 1.00 0.00 H new ATOM 1405 N MET A 126 0.518 -0.108 -15.628 1.00 0.00 N ATOM 1406 CA MET A 126 1.252 -0.245 -14.339 1.00 0.00 C ATOM 1407 C MET A 126 1.006 -1.653 -13.792 1.00 0.00 C ATOM 1408 O MET A 126 -0.110 -2.135 -13.794 1.00 0.00 O ATOM 1409 CB MET A 126 0.646 0.806 -13.409 1.00 0.00 C ATOM 1410 CG MET A 126 1.345 0.740 -12.050 1.00 0.00 C ATOM 1411 SD MET A 126 1.095 2.292 -11.155 1.00 0.00 S ATOM 1412 CE MET A 126 2.217 1.936 -9.779 1.00 0.00 C ATOM 0 H MET A 126 -0.426 -0.495 -15.620 1.00 0.00 H new ATOM 0 HA MET A 126 2.328 -0.101 -14.442 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.759 1.800 -13.842 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.423 0.630 -13.290 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.951 -0.093 -11.468 1.00 0.00 H new ATOM 0 HG3 MET A 126 2.411 0.557 -12.188 1.00 0.00 H new ATOM 0 HE1 MET A 126 2.221 2.777 -9.086 1.00 0.00 H new ATOM 0 HE2 MET A 126 1.881 1.039 -9.259 1.00 0.00 H new ATOM 0 HE3 MET A 126 3.225 1.777 -10.163 1.00 0.00 H new ATOM 1422 N VAL A 127 2.024 -2.332 -13.344 1.00 0.00 N ATOM 1423 CA VAL A 127 1.809 -3.717 -12.830 1.00 0.00 C ATOM 1424 C VAL A 127 2.008 -3.786 -11.312 1.00 0.00 C ATOM 1425 O VAL A 127 2.941 -3.232 -10.767 1.00 0.00 O ATOM 1426 CB VAL A 127 2.855 -4.569 -13.550 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.780 -6.010 -13.041 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.579 -4.548 -15.055 1.00 0.00 C ATOM 0 H VAL A 127 2.986 -1.995 -13.310 1.00 0.00 H new ATOM 0 HA VAL A 127 0.792 -4.063 -13.016 1.00 0.00 H new ATOM 0 HB VAL A 127 3.848 -4.166 -13.354 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.526 -6.617 -13.555 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.974 -6.028 -11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.787 -6.414 -13.237 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.324 -5.155 -15.570 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.585 -4.952 -15.248 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.631 -3.522 -15.420 1.00 0.00 H new ATOM 1438 N GLU A 128 1.134 -4.479 -10.631 1.00 0.00 N ATOM 1439 CA GLU A 128 1.262 -4.610 -9.151 1.00 0.00 C ATOM 1440 C GLU A 128 1.007 -6.063 -8.738 1.00 0.00 C ATOM 1441 O GLU A 128 -0.106 -6.548 -8.798 1.00 0.00 O ATOM 1442 CB GLU A 128 0.186 -3.690 -8.572 1.00 0.00 C ATOM 1443 CG GLU A 128 0.221 -3.759 -7.042 1.00 0.00 C ATOM 1444 CD GLU A 128 -0.820 -4.768 -6.551 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.996 -4.449 -6.607 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -0.422 -5.841 -6.129 1.00 0.00 O ATOM 0 H GLU A 128 0.333 -4.962 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 128 2.256 -4.341 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.352 -2.665 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.797 -3.988 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.215 -4.052 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.017 -2.775 -6.619 1.00 0.00 H new ATOM 1453 N GLY A 129 2.028 -6.763 -8.322 1.00 0.00 N ATOM 1454 CA GLY A 129 1.841 -8.182 -7.910 1.00 0.00 C ATOM 1455 C GLY A 129 1.778 -9.076 -9.153 1.00 0.00 C ATOM 1456 O GLY A 129 0.870 -8.980 -9.955 1.00 0.00 O ATOM 0 H GLY A 129 2.983 -6.413 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 129 2.663 -8.495 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.924 -8.285 -7.329 1.00 0.00 H new ATOM 1460 N ARG A 130 2.735 -9.949 -9.313 1.00 0.00 N ATOM 1461 CA ARG A 130 2.739 -10.861 -10.495 1.00 0.00 C ATOM 1462 C ARG A 130 2.947 -12.306 -10.027 1.00 0.00 C ATOM 1463 O ARG A 130 3.577 -12.551 -9.017 1.00 0.00 O ATOM 1464 CB ARG A 130 3.917 -10.393 -11.358 1.00 0.00 C ATOM 1465 CG ARG A 130 3.919 -11.157 -12.685 1.00 0.00 C ATOM 1466 CD ARG A 130 5.273 -10.982 -13.381 1.00 0.00 C ATOM 1467 NE ARG A 130 6.098 -12.130 -12.914 1.00 0.00 N ATOM 1468 CZ ARG A 130 6.846 -12.786 -13.760 1.00 0.00 C ATOM 1469 NH1 ARG A 130 7.207 -12.227 -14.884 1.00 0.00 N ATOM 1470 NH2 ARG A 130 7.231 -14.001 -13.486 1.00 0.00 N ATOM 0 H ARG A 130 3.519 -10.071 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 130 1.802 -10.833 -11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 130 3.841 -9.322 -11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.856 -10.559 -10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.725 -12.215 -12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.119 -10.790 -13.328 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.163 -10.990 -14.465 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.734 -10.031 -13.114 1.00 0.00 H new ATOM 0 HE ARG A 130 6.079 -12.405 -11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 130 6.905 -11.277 -15.102 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.791 -12.740 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 130 6.948 -14.440 -12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 130 7.815 -14.512 -14.148 1.00 0.00 H new ATOM 1484 N LYS A 131 2.423 -13.263 -10.743 1.00 0.00 N ATOM 1485 CA LYS A 131 2.599 -14.684 -10.321 1.00 0.00 C ATOM 1486 C LYS A 131 4.082 -14.987 -10.082 1.00 0.00 C ATOM 1487 O LYS A 131 4.900 -14.157 -10.440 1.00 0.00 O ATOM 1488 CB LYS A 131 2.059 -15.522 -11.480 1.00 0.00 C ATOM 1489 CG LYS A 131 2.813 -15.172 -12.764 1.00 0.00 C ATOM 1490 CD LYS A 131 2.351 -16.094 -13.894 1.00 0.00 C ATOM 1491 CE LYS A 131 2.554 -15.399 -15.242 1.00 0.00 C ATOM 1492 NZ LYS A 131 1.485 -14.363 -15.311 1.00 0.00 N ATOM 1493 OXT LYS A 131 4.372 -16.043 -9.544 1.00 0.00 O ATOM 0 H LYS A 131 1.883 -13.125 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 131 2.076 -14.901 -9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.172 -16.583 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 131 0.993 -15.336 -11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.632 -14.131 -13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 131 3.887 -15.279 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.913 -17.028 -13.867 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.300 -16.350 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.544 -14.948 -15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.471 -16.107 -16.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.819 -14.601 -16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.975 -14.329 -14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.913 -13.435 -15.502 1.00 0.00 H new