USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 643 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 106 SER OG : rot 107:sc= -2.46! USER MOD Set 1.2: A 109 GLN : amide:sc= -2.94! C(o=-5.4!,f=-16!) USER MOD Set 2.1: A 93 CYS SG : rot 178:sc= 1.48 USER MOD Set 2.2: A 96 CYS SG : rot -60:sc= -0.417 USER MOD Set 2.3: A 117 CYS SG : rot 180:sc= -0.253 USER MOD Set 2.4: A 120 CYS SG : rot 89:sc= -4.18! USER MOD Set 3.1: A 49 LYS NZ :NH3+ 152:sc= -0.558 (180deg=-2.24!) USER MOD Set 3.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 42 CYS SG : rot 166:sc= -0.314! USER MOD Set 4.2: A 45 CYS SG : rot -48:sc= -0.539 USER MOD Set 4.3: A 54 TYR OH : rot 130:sc= 0 USER MOD Set 4.4: A 80 CYS SG : rot 26:sc= -2.66! USER MOD Set 4.5: A 83 CYS SG : rot 128:sc= -0.125 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 149:sc= 0 (180deg=-0.000304) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.716 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.25 K(o=-1.2,f=-5.4!) USER MOD Single : A 60 SER OG : rot -6:sc= 0.653 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -54:sc= -0.167 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00168 USER MOD Single : A 72 SER OG : rot -45:sc= 0.983 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= -0.0445 (180deg=-0.453) USER MOD Single : A 90 SER OG : rot -30:sc= 0.0174 USER MOD Single : A 94 THR OG1 : rot -76:sc= 0.633 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.29) USER MOD Single : A 99 THR OG1 : rot -70:sc= 0.602 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.03) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.3!) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.686 F(o=-1.2,f=-0.69) USER MOD Single : A 122 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 4.653 19.152 -11.457 1.00 0.00 N ATOM 88 CA ASP A 37 4.531 17.734 -11.797 1.00 0.00 C ATOM 89 C ASP A 37 5.316 17.421 -13.065 1.00 0.00 C ATOM 90 O ASP A 37 5.155 16.358 -13.665 1.00 0.00 O ATOM 91 CB ASP A 37 3.059 17.371 -12.003 1.00 0.00 C ATOM 92 CG ASP A 37 2.900 15.855 -12.068 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.911 15.173 -12.052 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.771 15.400 -12.127 1.00 0.00 O ATOM 0 HA ASP A 37 4.938 17.145 -10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.459 17.773 -11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.690 17.824 -12.923 1.00 0.00 H new ATOM 99 N ALA A 38 6.168 18.355 -13.466 1.00 0.00 N ATOM 100 CA ALA A 38 6.979 18.171 -14.665 1.00 0.00 C ATOM 101 C ALA A 38 8.055 17.117 -14.427 1.00 0.00 C ATOM 102 O ALA A 38 8.683 17.088 -13.370 1.00 0.00 O ATOM 103 CB ALA A 38 7.639 19.490 -15.064 1.00 0.00 C ATOM 0 H ALA A 38 6.316 19.242 -12.984 1.00 0.00 H new ATOM 0 HA ALA A 38 6.325 17.836 -15.470 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.241 19.339 -15.960 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.870 20.236 -15.265 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.278 19.838 -14.252 1.00 0.00 H new ATOM 109 N LEU A 39 8.266 16.255 -15.418 1.00 0.00 N ATOM 110 CA LEU A 39 9.274 15.202 -15.309 1.00 0.00 C ATOM 111 C LEU A 39 10.489 15.541 -16.153 1.00 0.00 C ATOM 112 O LEU A 39 10.372 15.830 -17.345 1.00 0.00 O ATOM 113 CB LEU A 39 8.686 13.877 -15.782 1.00 0.00 C ATOM 114 CG LEU A 39 7.502 13.466 -14.876 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.514 12.604 -15.665 1.00 0.00 C ATOM 116 CD2 LEU A 39 8.017 12.657 -13.680 1.00 0.00 C ATOM 0 H LEU A 39 7.756 16.264 -16.301 1.00 0.00 H new ATOM 0 HA LEU A 39 9.579 15.119 -14.266 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.349 13.968 -16.815 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.453 13.103 -15.764 1.00 0.00 H new ATOM 0 HG LEU A 39 7.003 14.369 -14.524 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.683 12.319 -15.019 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.135 13.171 -16.515 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.019 11.707 -16.023 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.178 12.371 -13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.524 11.761 -14.038 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.716 13.264 -13.104 1.00 0.00 H new ATOM 128 N ILE A 40 11.657 15.502 -15.524 1.00 0.00 N ATOM 129 CA ILE A 40 12.906 15.807 -16.216 1.00 0.00 C ATOM 130 C ILE A 40 13.520 14.536 -16.796 1.00 0.00 C ATOM 131 O ILE A 40 13.551 13.493 -16.145 1.00 0.00 O ATOM 132 CB ILE A 40 13.894 16.471 -15.248 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.476 17.926 -15.007 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.310 16.445 -15.844 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.023 17.983 -14.527 1.00 0.00 C ATOM 0 H ILE A 40 11.767 15.263 -14.539 1.00 0.00 H new ATOM 0 HA ILE A 40 12.691 16.494 -17.034 1.00 0.00 H new ATOM 0 HB ILE A 40 13.889 15.924 -14.305 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.131 18.382 -14.265 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.586 18.501 -15.926 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.005 16.918 -15.151 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.614 15.412 -16.015 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.316 16.986 -16.790 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.736 19.021 -14.359 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.372 17.545 -15.284 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.925 17.424 -13.596 1.00 0.00 H new ATOM 147 N MET A 41 14.009 14.641 -18.022 1.00 0.00 N ATOM 148 CA MET A 41 14.634 13.503 -18.688 1.00 0.00 C ATOM 149 C MET A 41 16.105 13.406 -18.306 1.00 0.00 C ATOM 150 O MET A 41 16.874 14.348 -18.497 1.00 0.00 O ATOM 151 CB MET A 41 14.516 13.658 -20.206 1.00 0.00 C ATOM 152 CG MET A 41 15.061 12.403 -20.890 1.00 0.00 C ATOM 153 SD MET A 41 14.871 12.561 -22.684 1.00 0.00 S ATOM 154 CE MET A 41 14.549 10.815 -23.034 1.00 0.00 C ATOM 0 H MET A 41 13.987 15.497 -18.576 1.00 0.00 H new ATOM 0 HA MET A 41 14.122 12.594 -18.372 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.474 13.815 -20.486 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.071 14.536 -20.537 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.112 12.265 -20.636 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.528 11.521 -20.534 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.399 10.680 -24.105 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.399 10.216 -22.709 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.654 10.496 -22.499 1.00 0.00 H new ATOM 164 N CYS A 42 16.489 12.256 -17.765 1.00 0.00 N ATOM 165 CA CYS A 42 17.876 12.037 -17.365 1.00 0.00 C ATOM 166 C CYS A 42 18.676 11.535 -18.563 1.00 0.00 C ATOM 167 O CYS A 42 18.128 10.864 -19.427 1.00 0.00 O ATOM 168 CB CYS A 42 17.934 11.023 -16.223 1.00 0.00 C ATOM 169 SG CYS A 42 19.656 10.547 -15.913 1.00 0.00 S ATOM 0 H CYS A 42 15.867 11.466 -17.594 1.00 0.00 H new ATOM 0 HA CYS A 42 18.308 12.976 -17.017 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.497 11.452 -15.321 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.343 10.142 -16.476 1.00 0.00 H new ATOM 0 HG CYS A 42 19.736 9.927 -14.773 1.00 0.00 H new ATOM 174 N MET A 43 19.955 11.886 -18.633 1.00 0.00 N ATOM 175 CA MET A 43 20.792 11.467 -19.764 1.00 0.00 C ATOM 176 C MET A 43 21.613 10.229 -19.406 1.00 0.00 C ATOM 177 O MET A 43 22.269 9.640 -20.264 1.00 0.00 O ATOM 178 CB MET A 43 21.732 12.615 -20.157 1.00 0.00 C ATOM 179 CG MET A 43 22.185 13.354 -18.895 1.00 0.00 C ATOM 180 SD MET A 43 23.419 14.603 -19.339 1.00 0.00 S ATOM 181 CE MET A 43 24.872 13.528 -19.260 1.00 0.00 C ATOM 0 H MET A 43 20.435 12.452 -17.933 1.00 0.00 H new ATOM 0 HA MET A 43 20.143 11.217 -20.603 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.597 12.225 -20.694 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.222 13.303 -20.832 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.331 13.827 -18.411 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.607 12.649 -18.179 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.617 13.870 -19.978 1.00 0.00 H new ATOM 0 HE2 MET A 43 25.294 13.560 -18.256 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.581 12.505 -19.499 1.00 0.00 H new ATOM 191 N ARG A 44 21.576 9.844 -18.139 1.00 0.00 N ATOM 192 CA ARG A 44 22.326 8.676 -17.681 1.00 0.00 C ATOM 193 C ARG A 44 21.513 7.405 -17.850 1.00 0.00 C ATOM 194 O ARG A 44 21.936 6.476 -18.537 1.00 0.00 O ATOM 195 CB ARG A 44 22.710 8.851 -16.209 1.00 0.00 C ATOM 196 CG ARG A 44 23.788 9.937 -16.066 1.00 0.00 C ATOM 197 CD ARG A 44 25.176 9.326 -16.282 1.00 0.00 C ATOM 198 NE ARG A 44 26.195 10.360 -16.226 1.00 0.00 N ATOM 199 CZ ARG A 44 27.459 10.082 -16.518 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.797 8.867 -16.859 1.00 0.00 N ATOM 201 NH2 ARG A 44 28.359 11.020 -16.464 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.040 10.317 -17.412 1.00 0.00 H new ATOM 0 HA ARG A 44 23.228 8.590 -18.287 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.830 9.123 -15.626 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.079 7.907 -15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.614 10.732 -16.791 1.00 0.00 H new ATOM 0 HG3 ARG A 44 23.731 10.390 -15.076 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.371 8.571 -15.520 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.213 8.821 -17.247 1.00 0.00 H new ATOM 0 HE ARG A 44 25.936 11.310 -15.959 1.00 0.00 H new ATOM 0 HH11 ARG A 44 27.089 8.133 -16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.768 8.652 -17.084 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.092 11.968 -16.197 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.331 10.808 -16.688 1.00 0.00 H new ATOM 215 N CYS A 45 20.348 7.360 -17.214 1.00 0.00 N ATOM 216 CA CYS A 45 19.482 6.187 -17.294 1.00 0.00 C ATOM 217 C CYS A 45 18.307 6.451 -18.229 1.00 0.00 C ATOM 218 O CYS A 45 17.328 5.704 -18.234 1.00 0.00 O ATOM 219 CB CYS A 45 18.963 5.828 -15.902 1.00 0.00 C ATOM 220 SG CYS A 45 18.036 7.224 -15.219 1.00 0.00 S ATOM 0 H CYS A 45 19.981 8.118 -16.639 1.00 0.00 H new ATOM 0 HA CYS A 45 20.063 5.354 -17.690 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.324 4.947 -15.958 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.796 5.576 -15.246 1.00 0.00 H new ATOM 0 HG CYS A 45 18.726 8.316 -15.365 1.00 0.00 H new ATOM 225 N ARG A 46 18.409 7.515 -19.026 1.00 0.00 N ATOM 226 CA ARG A 46 17.347 7.859 -19.968 1.00 0.00 C ATOM 227 C ARG A 46 15.976 7.673 -19.333 1.00 0.00 C ATOM 228 O ARG A 46 15.005 7.357 -20.020 1.00 0.00 O ATOM 229 CB ARG A 46 17.457 6.984 -21.213 1.00 0.00 C ATOM 230 CG ARG A 46 18.717 7.372 -21.991 1.00 0.00 C ATOM 231 CD ARG A 46 18.870 6.449 -23.198 1.00 0.00 C ATOM 232 NE ARG A 46 19.221 5.102 -22.762 1.00 0.00 N ATOM 233 CZ ARG A 46 19.088 4.058 -23.575 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.629 4.227 -24.784 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.414 2.864 -23.160 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.209 8.148 -19.038 1.00 0.00 H new ATOM 0 HA ARG A 46 17.461 8.907 -20.245 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.499 5.932 -20.930 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.574 7.110 -21.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.651 8.410 -22.318 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.593 7.296 -21.347 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.940 6.424 -23.766 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.641 6.835 -23.865 1.00 0.00 H new ATOM 0 HE ARG A 46 19.575 4.958 -21.816 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.372 5.160 -25.106 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.527 3.426 -25.407 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.770 2.733 -22.213 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.312 2.062 -23.782 1.00 0.00 H new ATOM 249 N LYS A 47 15.905 7.863 -18.019 1.00 0.00 N ATOM 250 CA LYS A 47 14.650 7.708 -17.288 1.00 0.00 C ATOM 251 C LYS A 47 14.111 9.063 -16.870 1.00 0.00 C ATOM 252 O LYS A 47 14.860 10.031 -16.747 1.00 0.00 O ATOM 253 CB LYS A 47 14.869 6.813 -16.050 1.00 0.00 C ATOM 254 CG LYS A 47 13.575 6.061 -15.702 1.00 0.00 C ATOM 255 CD LYS A 47 13.859 5.016 -14.624 1.00 0.00 C ATOM 256 CE LYS A 47 14.326 5.701 -13.343 1.00 0.00 C ATOM 257 NZ LYS A 47 14.166 4.768 -12.198 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.701 8.125 -17.438 1.00 0.00 H new ATOM 0 HA LYS A 47 13.919 7.233 -17.942 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.671 6.101 -16.245 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.183 7.423 -15.203 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.819 6.763 -15.351 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.173 5.578 -16.593 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.960 4.432 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.622 4.320 -14.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.369 6.002 -13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.747 6.608 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.484 5.233 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.165 4.502 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.737 3.915 -12.363 1.00 0.00 H new ATOM 271 N VAL A 48 12.801 9.127 -16.666 1.00 0.00 N ATOM 272 CA VAL A 48 12.146 10.371 -16.274 1.00 0.00 C ATOM 273 C VAL A 48 11.815 10.347 -14.787 1.00 0.00 C ATOM 274 O VAL A 48 11.273 9.369 -14.273 1.00 0.00 O ATOM 275 CB VAL A 48 10.856 10.560 -17.094 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.160 11.324 -18.384 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.272 9.190 -17.447 1.00 0.00 C ATOM 0 H VAL A 48 12.170 8.332 -16.765 1.00 0.00 H new ATOM 0 HA VAL A 48 12.822 11.203 -16.469 1.00 0.00 H new ATOM 0 HB VAL A 48 10.139 11.128 -16.501 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.241 11.452 -18.956 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.574 12.302 -18.139 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.882 10.763 -18.978 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.359 9.322 -18.027 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.997 8.626 -18.034 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.044 8.645 -16.531 1.00 0.00 H new ATOM 287 N LYS A 49 12.154 11.434 -14.105 1.00 0.00 N ATOM 288 CA LYS A 49 11.899 11.553 -12.671 1.00 0.00 C ATOM 289 C LYS A 49 11.302 12.916 -12.343 1.00 0.00 C ATOM 290 O LYS A 49 11.700 13.936 -12.907 1.00 0.00 O ATOM 291 CB LYS A 49 13.212 11.376 -11.913 1.00 0.00 C ATOM 292 CG LYS A 49 13.606 9.897 -11.895 1.00 0.00 C ATOM 293 CD LYS A 49 14.983 9.743 -11.240 1.00 0.00 C ATOM 294 CE LYS A 49 15.298 8.259 -11.062 1.00 0.00 C ATOM 295 NZ LYS A 49 16.593 8.101 -10.344 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.607 12.248 -14.521 1.00 0.00 H new ATOM 0 HA LYS A 49 11.188 10.782 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.998 11.965 -12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.106 11.746 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.863 9.318 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.629 9.503 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.746 10.216 -11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.997 10.247 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.499 7.773 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.349 7.769 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.591 7.204 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.373 8.096 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.721 8.892 -9.681 1.00 0.00 H new ATOM 309 N GLY A 50 10.342 12.923 -11.425 1.00 0.00 N ATOM 310 CA GLY A 50 9.689 14.158 -11.017 1.00 0.00 C ATOM 311 C GLY A 50 10.440 14.817 -9.869 1.00 0.00 C ATOM 312 O GLY A 50 11.353 14.229 -9.291 1.00 0.00 O ATOM 0 H GLY A 50 10.000 12.087 -10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.637 14.843 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.663 13.948 -10.713 1.00 0.00 H new ATOM 316 N ILE A 51 10.048 16.043 -9.542 1.00 0.00 N ATOM 317 CA ILE A 51 10.694 16.772 -8.457 1.00 0.00 C ATOM 318 C ILE A 51 10.873 15.879 -7.226 1.00 0.00 C ATOM 319 O ILE A 51 11.785 16.095 -6.426 1.00 0.00 O ATOM 320 CB ILE A 51 9.855 17.995 -8.078 1.00 0.00 C ATOM 321 CG1 ILE A 51 10.636 18.863 -7.088 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.546 17.537 -7.431 1.00 0.00 C ATOM 323 CD1 ILE A 51 9.934 20.212 -6.927 1.00 0.00 C ATOM 0 H ILE A 51 9.294 16.549 -10.007 1.00 0.00 H new ATOM 0 HA ILE A 51 11.677 17.092 -8.803 1.00 0.00 H new ATOM 0 HB ILE A 51 9.634 18.574 -8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.706 18.360 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.655 19.012 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.949 18.408 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.989 16.919 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.767 16.957 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.490 20.830 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.887 20.715 -7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.923 20.054 -6.551 1.00 0.00 H new ATOM 335 N ASP A 52 10.012 14.876 -7.083 1.00 0.00 N ATOM 336 CA ASP A 52 10.090 13.967 -5.952 1.00 0.00 C ATOM 337 C ASP A 52 11.287 13.025 -6.100 1.00 0.00 C ATOM 338 O ASP A 52 11.981 12.729 -5.129 1.00 0.00 O ATOM 339 CB ASP A 52 8.798 13.155 -5.856 1.00 0.00 C ATOM 340 CG ASP A 52 8.729 12.447 -4.510 1.00 0.00 C ATOM 341 OD1 ASP A 52 9.730 12.447 -3.813 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 7.678 11.915 -4.194 1.00 0.00 O ATOM 0 H ASP A 52 9.255 14.675 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 52 10.221 14.551 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.936 13.811 -5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.757 12.424 -6.664 1.00 0.00 H new ATOM 347 N SER A 53 11.516 12.557 -7.325 1.00 0.00 N ATOM 348 CA SER A 53 12.624 11.644 -7.601 1.00 0.00 C ATOM 349 C SER A 53 13.823 12.414 -8.128 1.00 0.00 C ATOM 350 O SER A 53 14.795 11.821 -8.591 1.00 0.00 O ATOM 351 CB SER A 53 12.177 10.576 -8.610 1.00 0.00 C ATOM 352 OG SER A 53 11.309 11.166 -9.568 1.00 0.00 O ATOM 0 H SER A 53 10.951 12.794 -8.141 1.00 0.00 H new ATOM 0 HA SER A 53 12.919 11.149 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.045 10.144 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.667 9.763 -8.094 1.00 0.00 H new ATOM 0 HG SER A 53 11.024 10.486 -10.214 1.00 0.00 H new ATOM 358 N TYR A 54 13.755 13.744 -8.046 1.00 0.00 N ATOM 359 CA TYR A 54 14.847 14.595 -8.522 1.00 0.00 C ATOM 360 C TYR A 54 15.213 15.641 -7.472 1.00 0.00 C ATOM 361 O TYR A 54 14.342 16.203 -6.807 1.00 0.00 O ATOM 362 CB TYR A 54 14.423 15.284 -9.846 1.00 0.00 C ATOM 363 CG TYR A 54 15.393 14.938 -10.953 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.650 13.598 -11.250 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.043 15.951 -11.669 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.551 13.267 -12.264 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.946 15.617 -12.676 1.00 0.00 C ATOM 368 CZ TYR A 54 17.199 14.275 -12.979 1.00 0.00 C ATOM 369 OH TYR A 54 18.093 13.951 -13.976 1.00 0.00 O ATOM 0 H TYR A 54 12.961 14.253 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 54 15.726 13.977 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.417 14.967 -10.123 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.390 16.365 -9.707 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.151 12.817 -10.695 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.845 16.988 -11.441 1.00 0.00 H new ATOM 0 HE1 TYR A 54 16.746 12.230 -12.495 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.453 16.397 -13.225 1.00 0.00 H new ATOM 0 HH TYR A 54 17.874 14.454 -14.788 1.00 0.00 H new ATOM 379 N SER A 55 16.510 15.898 -7.342 1.00 0.00 N ATOM 380 CA SER A 55 16.988 16.880 -6.391 1.00 0.00 C ATOM 381 C SER A 55 16.416 18.253 -6.723 1.00 0.00 C ATOM 382 O SER A 55 16.157 18.567 -7.886 1.00 0.00 O ATOM 383 CB SER A 55 18.515 16.938 -6.428 1.00 0.00 C ATOM 384 OG SER A 55 18.959 18.004 -5.601 1.00 0.00 O ATOM 0 H SER A 55 17.242 15.439 -7.884 1.00 0.00 H new ATOM 0 HA SER A 55 16.662 16.590 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.936 15.994 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.861 17.086 -7.451 1.00 0.00 H new ATOM 0 HG SER A 55 19.938 18.046 -5.619 1.00 0.00 H new ATOM 390 N LYS A 56 16.213 19.064 -5.694 1.00 0.00 N ATOM 391 CA LYS A 56 15.663 20.399 -5.883 1.00 0.00 C ATOM 392 C LYS A 56 16.581 21.236 -6.763 1.00 0.00 C ATOM 393 O LYS A 56 16.123 21.957 -7.648 1.00 0.00 O ATOM 394 CB LYS A 56 15.495 21.084 -4.530 1.00 0.00 C ATOM 395 CG LYS A 56 14.786 22.432 -4.714 1.00 0.00 C ATOM 396 CD LYS A 56 14.686 23.157 -3.366 1.00 0.00 C ATOM 397 CE LYS A 56 13.635 22.485 -2.473 1.00 0.00 C ATOM 398 NZ LYS A 56 13.322 23.376 -1.324 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.420 18.823 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 56 14.693 20.308 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.918 20.448 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.469 21.236 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.334 23.047 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.790 22.275 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.655 23.147 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.421 24.202 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.731 22.281 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.007 21.526 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.610 22.923 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.187 23.549 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.950 24.281 -1.677 1.00 0.00 H new ATOM 412 N THR A 57 17.885 21.145 -6.508 1.00 0.00 N ATOM 413 CA THR A 57 18.853 21.908 -7.284 1.00 0.00 C ATOM 414 C THR A 57 18.818 21.494 -8.752 1.00 0.00 C ATOM 415 O THR A 57 18.740 22.337 -9.639 1.00 0.00 O ATOM 416 CB THR A 57 20.259 21.683 -6.726 1.00 0.00 C ATOM 417 OG1 THR A 57 20.310 22.131 -5.378 1.00 0.00 O ATOM 418 CG2 THR A 57 21.277 22.460 -7.564 1.00 0.00 C ATOM 0 H THR A 57 18.289 20.557 -5.779 1.00 0.00 H new ATOM 0 HA THR A 57 18.593 22.964 -7.212 1.00 0.00 H new ATOM 0 HB THR A 57 20.498 20.620 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.210 21.986 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.278 22.297 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.239 22.113 -8.597 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.041 23.524 -7.529 1.00 0.00 H new ATOM 426 N GLN A 58 18.876 20.189 -8.999 1.00 0.00 N ATOM 427 CA GLN A 58 18.858 19.682 -10.367 1.00 0.00 C ATOM 428 C GLN A 58 17.573 20.093 -11.080 1.00 0.00 C ATOM 429 O GLN A 58 17.607 20.570 -12.213 1.00 0.00 O ATOM 430 CB GLN A 58 18.967 18.156 -10.349 1.00 0.00 C ATOM 431 CG GLN A 58 20.308 17.745 -9.735 1.00 0.00 C ATOM 432 CD GLN A 58 21.454 18.173 -10.644 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.501 17.782 -11.811 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.387 18.959 -10.179 1.00 0.00 N ATOM 0 H GLN A 58 18.935 19.470 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 58 19.705 20.107 -10.905 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.146 17.729 -9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.884 17.763 -11.362 1.00 0.00 H new ATOM 0 HG2 GLN A 58 20.422 18.203 -8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.334 16.665 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.347 19.282 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 58 23.156 19.250 -10.782 1.00 0.00 H new ATOM 443 N TRP A 59 16.445 19.908 -10.404 1.00 0.00 N ATOM 444 CA TRP A 59 15.150 20.262 -10.978 1.00 0.00 C ATOM 445 C TRP A 59 15.079 21.757 -11.269 1.00 0.00 C ATOM 446 O TRP A 59 14.519 22.178 -12.281 1.00 0.00 O ATOM 447 CB TRP A 59 14.028 19.876 -10.012 1.00 0.00 C ATOM 448 CG TRP A 59 12.705 20.080 -10.681 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.099 19.180 -11.489 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.816 21.233 -10.614 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.897 19.709 -11.927 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.679 20.973 -11.415 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.889 22.470 -9.948 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.648 21.904 -11.545 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.853 23.409 -10.076 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.736 23.127 -10.876 1.00 0.00 C ATOM 0 H TRP A 59 16.399 19.517 -9.463 1.00 0.00 H new ATOM 0 HA TRP A 59 15.030 19.717 -11.914 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.137 18.835 -9.707 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.088 20.481 -9.107 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.489 18.207 -11.750 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.252 19.225 -12.551 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.748 22.699 -9.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.788 21.681 -12.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 10.917 24.353 -9.556 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.944 23.855 -10.975 1.00 0.00 H new ATOM 467 N SER A 60 15.655 22.552 -10.375 1.00 0.00 N ATOM 468 CA SER A 60 15.661 24.004 -10.536 1.00 0.00 C ATOM 469 C SER A 60 16.621 24.431 -11.644 1.00 0.00 C ATOM 470 O SER A 60 16.446 25.483 -12.258 1.00 0.00 O ATOM 471 CB SER A 60 16.064 24.677 -9.225 1.00 0.00 C ATOM 472 OG SER A 60 17.356 24.227 -8.842 1.00 0.00 O ATOM 0 H SER A 60 16.123 22.218 -9.533 1.00 0.00 H new ATOM 0 HA SER A 60 14.653 24.315 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.065 25.760 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.339 24.443 -8.445 1.00 0.00 H new ATOM 0 HG SER A 60 17.652 23.522 -9.455 1.00 0.00 H new ATOM 478 N LYS A 61 17.638 23.614 -11.888 1.00 0.00 N ATOM 479 CA LYS A 61 18.622 23.924 -12.917 1.00 0.00 C ATOM 480 C LYS A 61 18.007 23.794 -14.304 1.00 0.00 C ATOM 481 O LYS A 61 18.598 24.218 -15.295 1.00 0.00 O ATOM 482 CB LYS A 61 19.820 22.973 -12.797 1.00 0.00 C ATOM 483 CG LYS A 61 20.783 23.484 -11.721 1.00 0.00 C ATOM 484 CD LYS A 61 21.915 22.467 -11.509 1.00 0.00 C ATOM 485 CE LYS A 61 22.955 22.601 -12.627 1.00 0.00 C ATOM 486 NZ LYS A 61 24.146 21.777 -12.295 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.802 22.738 -11.392 1.00 0.00 H new ATOM 0 HA LYS A 61 18.956 24.952 -12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.476 21.970 -12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.336 22.900 -13.755 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.198 24.447 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.246 23.644 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 61 22.387 22.632 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.509 21.455 -11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.528 22.277 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.244 23.645 -12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.853 21.867 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.557 22.106 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.864 20.780 -12.202 1.00 0.00 H new ATOM 500 N THR A 62 16.827 23.192 -14.369 1.00 0.00 N ATOM 501 CA THR A 62 16.157 22.999 -15.647 1.00 0.00 C ATOM 502 C THR A 62 15.299 24.209 -16.001 1.00 0.00 C ATOM 503 O THR A 62 14.574 24.192 -16.995 1.00 0.00 O ATOM 504 CB THR A 62 15.276 21.752 -15.591 1.00 0.00 C ATOM 505 OG1 THR A 62 14.207 21.972 -14.678 1.00 0.00 O ATOM 506 CG2 THR A 62 16.104 20.550 -15.125 1.00 0.00 C ATOM 0 H THR A 62 16.319 22.832 -13.561 1.00 0.00 H new ATOM 0 HA THR A 62 16.921 22.875 -16.415 1.00 0.00 H new ATOM 0 HB THR A 62 14.876 21.548 -16.584 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.570 22.242 -13.809 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.470 19.664 -15.087 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.924 20.380 -15.823 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.508 20.749 -14.133 1.00 0.00 H new ATOM 514 N PHE A 63 15.386 25.257 -15.185 1.00 0.00 N ATOM 515 CA PHE A 63 14.618 26.477 -15.411 1.00 0.00 C ATOM 516 C PHE A 63 15.549 27.679 -15.474 1.00 0.00 C ATOM 517 O PHE A 63 16.582 27.714 -14.808 1.00 0.00 O ATOM 518 CB PHE A 63 13.622 26.676 -14.271 1.00 0.00 C ATOM 519 CG PHE A 63 12.634 25.541 -14.268 1.00 0.00 C ATOM 520 CD1 PHE A 63 12.902 24.388 -13.528 1.00 0.00 C ATOM 521 CD2 PHE A 63 11.453 25.646 -15.003 1.00 0.00 C ATOM 522 CE1 PHE A 63 11.988 23.329 -13.520 1.00 0.00 C ATOM 523 CE2 PHE A 63 10.530 24.587 -14.999 1.00 0.00 C ATOM 524 CZ PHE A 63 10.799 23.427 -14.256 1.00 0.00 C ATOM 0 H PHE A 63 15.983 25.285 -14.359 1.00 0.00 H new ATOM 0 HA PHE A 63 14.084 26.384 -16.357 1.00 0.00 H new ATOM 0 HB2 PHE A 63 14.148 26.718 -13.317 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.101 27.626 -14.390 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.818 24.313 -12.960 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.249 26.540 -15.574 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.198 22.437 -12.948 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.615 24.665 -15.567 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.091 22.611 -14.251 1.00 0.00 H new ATOM 534 N THR A 64 15.173 28.662 -16.284 1.00 0.00 N ATOM 535 CA THR A 64 15.972 29.875 -16.442 1.00 0.00 C ATOM 536 C THR A 64 15.080 31.099 -16.342 1.00 0.00 C ATOM 537 O THR A 64 13.864 31.012 -16.506 1.00 0.00 O ATOM 538 CB THR A 64 16.680 29.861 -17.808 1.00 0.00 C ATOM 539 OG1 THR A 64 15.790 29.360 -18.796 1.00 0.00 O ATOM 540 CG2 THR A 64 17.922 28.968 -17.739 1.00 0.00 C ATOM 0 H THR A 64 14.320 28.644 -16.842 1.00 0.00 H new ATOM 0 HA THR A 64 16.720 29.912 -15.650 1.00 0.00 H new ATOM 0 HB THR A 64 16.982 30.876 -18.068 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.239 29.352 -19.667 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.420 28.961 -18.709 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.606 29.354 -16.983 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.626 27.952 -17.476 1.00 0.00 H new ATOM 548 N PHE A 65 15.696 32.240 -16.062 1.00 0.00 N ATOM 549 CA PHE A 65 14.960 33.499 -15.932 1.00 0.00 C ATOM 550 C PHE A 65 15.305 34.428 -17.089 1.00 0.00 C ATOM 551 O PHE A 65 16.451 34.843 -17.250 1.00 0.00 O ATOM 552 CB PHE A 65 15.312 34.174 -14.586 1.00 0.00 C ATOM 553 CG PHE A 65 14.086 34.846 -14.010 1.00 0.00 C ATOM 554 CD1 PHE A 65 12.972 34.068 -13.677 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.054 36.233 -13.817 1.00 0.00 C ATOM 556 CE1 PHE A 65 11.826 34.670 -13.153 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.907 36.836 -13.287 1.00 0.00 C ATOM 558 CZ PHE A 65 11.794 36.054 -12.956 1.00 0.00 C ATOM 0 H PHE A 65 16.703 32.324 -15.920 1.00 0.00 H new ATOM 0 HA PHE A 65 13.890 33.291 -15.957 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.693 33.431 -13.885 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.104 34.908 -14.734 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.998 32.999 -13.826 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.912 36.836 -14.076 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.966 34.068 -12.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.881 37.905 -13.133 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.909 36.520 -12.548 1.00 0.00 H new ATOM 568 N VAL A 66 14.294 34.749 -17.894 1.00 0.00 N ATOM 569 CA VAL A 66 14.484 35.631 -19.041 1.00 0.00 C ATOM 570 C VAL A 66 13.345 36.642 -19.133 1.00 0.00 C ATOM 571 O VAL A 66 12.205 36.346 -18.776 1.00 0.00 O ATOM 572 CB VAL A 66 14.557 34.804 -20.329 1.00 0.00 C ATOM 573 CG1 VAL A 66 13.157 34.310 -20.705 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.113 35.672 -21.462 1.00 0.00 C ATOM 0 H VAL A 66 13.339 34.412 -17.773 1.00 0.00 H new ATOM 0 HA VAL A 66 15.420 36.174 -18.911 1.00 0.00 H new ATOM 0 HB VAL A 66 15.212 33.947 -20.171 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.212 33.722 -21.621 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.761 33.691 -19.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.499 35.165 -20.862 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.165 35.084 -22.379 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.459 36.530 -21.618 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.111 36.020 -21.197 1.00 0.00 H new ATOM 584 N ARG A 67 13.663 37.836 -19.612 1.00 0.00 N ATOM 585 CA ARG A 67 12.660 38.881 -19.750 1.00 0.00 C ATOM 586 C ARG A 67 11.932 39.104 -18.436 1.00 0.00 C ATOM 587 O ARG A 67 10.851 39.692 -18.403 1.00 0.00 O ATOM 588 CB ARG A 67 11.656 38.491 -20.843 1.00 0.00 C ATOM 589 CG ARG A 67 12.284 38.684 -22.236 1.00 0.00 C ATOM 590 CD ARG A 67 12.081 40.125 -22.710 1.00 0.00 C ATOM 591 NE ARG A 67 12.673 40.307 -24.030 1.00 0.00 N ATOM 592 CZ ARG A 67 12.007 39.983 -25.131 1.00 0.00 C ATOM 593 NH1 ARG A 67 10.804 39.488 -25.042 1.00 0.00 N ATOM 594 NH2 ARG A 67 12.558 40.162 -26.299 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.601 38.104 -19.910 1.00 0.00 H new ATOM 0 HA ARG A 67 13.159 39.809 -20.029 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.352 37.452 -20.714 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.756 39.100 -20.754 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.348 38.452 -22.199 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.831 37.992 -22.946 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.017 40.358 -22.745 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.535 40.817 -22.001 1.00 0.00 H new ATOM 0 HE ARG A 67 13.615 40.690 -24.108 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.376 39.350 -24.127 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.291 39.239 -25.888 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.499 40.550 -26.365 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.048 39.914 -27.147 1.00 0.00 H new ATOM 608 N GLY A 68 12.535 38.641 -17.352 1.00 0.00 N ATOM 609 CA GLY A 68 11.939 38.807 -16.038 1.00 0.00 C ATOM 610 C GLY A 68 10.791 37.829 -15.830 1.00 0.00 C ATOM 611 O GLY A 68 9.895 38.071 -15.022 1.00 0.00 O ATOM 0 H GLY A 68 13.430 38.151 -17.356 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.696 38.652 -15.269 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.575 39.829 -15.926 1.00 0.00 H new ATOM 615 N ARG A 69 10.820 36.720 -16.568 1.00 0.00 N ATOM 616 CA ARG A 69 9.773 35.703 -16.465 1.00 0.00 C ATOM 617 C ARG A 69 10.384 34.309 -16.410 1.00 0.00 C ATOM 618 O ARG A 69 11.372 34.024 -17.086 1.00 0.00 O ATOM 619 CB ARG A 69 8.829 35.803 -17.666 1.00 0.00 C ATOM 620 CG ARG A 69 7.762 34.711 -17.574 1.00 0.00 C ATOM 621 CD ARG A 69 6.706 34.933 -18.655 1.00 0.00 C ATOM 622 NE ARG A 69 5.929 36.132 -18.366 1.00 0.00 N ATOM 623 CZ ARG A 69 5.089 36.638 -19.261 1.00 0.00 C ATOM 624 NH1 ARG A 69 4.952 36.062 -20.425 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.402 37.709 -18.978 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.554 36.503 -17.242 1.00 0.00 H new ATOM 0 HA ARG A 69 9.212 35.877 -15.547 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.357 36.785 -17.689 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.392 35.698 -18.593 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.220 33.730 -17.696 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.297 34.726 -16.588 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.187 35.029 -19.628 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.045 34.068 -18.710 1.00 0.00 H new ATOM 0 HE ARG A 69 6.032 36.590 -17.461 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.490 35.224 -20.646 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.307 36.450 -21.113 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.510 38.159 -18.069 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.757 38.098 -19.666 1.00 0.00 H new ATOM 639 N THR A 70 9.787 33.443 -15.597 1.00 0.00 N ATOM 640 CA THR A 70 10.278 32.079 -15.460 1.00 0.00 C ATOM 641 C THR A 70 10.096 31.316 -16.766 1.00 0.00 C ATOM 642 O THR A 70 9.000 31.279 -17.327 1.00 0.00 O ATOM 643 CB THR A 70 9.521 31.360 -14.342 1.00 0.00 C ATOM 644 OG1 THR A 70 9.538 32.165 -13.172 1.00 0.00 O ATOM 645 CG2 THR A 70 10.194 30.018 -14.049 1.00 0.00 C ATOM 0 H THR A 70 8.969 33.660 -15.028 1.00 0.00 H new ATOM 0 HA THR A 70 11.339 32.117 -15.214 1.00 0.00 H new ATOM 0 HB THR A 70 8.490 31.186 -14.652 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.052 31.708 -12.454 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.654 29.506 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.184 29.402 -14.948 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.225 30.188 -13.738 1.00 0.00 H new ATOM 653 N VAL A 71 11.178 30.705 -17.248 1.00 0.00 N ATOM 654 CA VAL A 71 11.136 29.939 -18.495 1.00 0.00 C ATOM 655 C VAL A 71 11.868 28.608 -18.333 1.00 0.00 C ATOM 656 O VAL A 71 12.946 28.545 -17.744 1.00 0.00 O ATOM 657 CB VAL A 71 11.773 30.750 -19.627 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.869 31.933 -19.981 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.135 31.283 -19.177 1.00 0.00 C ATOM 0 H VAL A 71 12.092 30.725 -16.796 1.00 0.00 H new ATOM 0 HA VAL A 71 10.094 29.734 -18.741 1.00 0.00 H new ATOM 0 HB VAL A 71 11.900 30.107 -20.498 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.323 32.510 -20.787 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.896 31.563 -20.303 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.743 32.570 -19.105 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.585 31.860 -19.985 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.005 31.922 -18.304 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.786 30.447 -18.921 1.00 0.00 H new ATOM 669 N SER A 72 11.270 27.545 -18.855 1.00 0.00 N ATOM 670 CA SER A 72 11.877 26.222 -18.761 1.00 0.00 C ATOM 671 C SER A 72 13.078 26.124 -19.695 1.00 0.00 C ATOM 672 O SER A 72 13.086 26.714 -20.777 1.00 0.00 O ATOM 673 CB SER A 72 10.848 25.153 -19.130 1.00 0.00 C ATOM 674 OG SER A 72 9.933 24.991 -18.054 1.00 0.00 O ATOM 0 H SER A 72 10.375 27.571 -19.343 1.00 0.00 H new ATOM 0 HA SER A 72 12.213 26.062 -17.737 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.315 25.442 -20.036 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.348 24.208 -19.343 1.00 0.00 H new ATOM 0 HG SER A 72 10.427 24.949 -17.208 1.00 0.00 H new ATOM 680 N VAL A 73 14.088 25.372 -19.272 1.00 0.00 N ATOM 681 CA VAL A 73 15.289 25.199 -20.079 1.00 0.00 C ATOM 682 C VAL A 73 14.992 24.326 -21.294 1.00 0.00 C ATOM 683 O VAL A 73 14.072 23.506 -21.270 1.00 0.00 O ATOM 684 CB VAL A 73 16.398 24.557 -19.237 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.583 24.195 -20.135 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.856 25.546 -18.161 1.00 0.00 C ATOM 0 H VAL A 73 14.099 24.876 -18.381 1.00 0.00 H new ATOM 0 HA VAL A 73 15.621 26.179 -20.423 1.00 0.00 H new ATOM 0 HB VAL A 73 16.016 23.653 -18.764 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.369 23.739 -19.534 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.257 23.491 -20.901 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.967 25.097 -20.611 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.645 25.092 -17.561 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.237 26.450 -18.636 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.013 25.801 -17.519 1.00 0.00 H new ATOM 696 N SER A 74 15.777 24.501 -22.354 1.00 0.00 N ATOM 697 CA SER A 74 15.595 23.718 -23.576 1.00 0.00 C ATOM 698 C SER A 74 16.470 22.467 -23.551 1.00 0.00 C ATOM 699 O SER A 74 16.081 21.420 -24.065 1.00 0.00 O ATOM 700 CB SER A 74 15.954 24.567 -24.795 1.00 0.00 C ATOM 701 OG SER A 74 17.368 24.692 -24.882 1.00 0.00 O ATOM 0 H SER A 74 16.542 25.174 -22.393 1.00 0.00 H new ATOM 0 HA SER A 74 14.550 23.414 -23.637 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.562 24.106 -25.702 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.495 25.552 -24.714 1.00 0.00 H new ATOM 0 HG SER A 74 17.601 25.235 -25.664 1.00 0.00 H new ATOM 707 N ASP A 75 17.653 22.582 -22.948 1.00 0.00 N ATOM 708 CA ASP A 75 18.584 21.454 -22.851 1.00 0.00 C ATOM 709 C ASP A 75 19.024 21.257 -21.400 1.00 0.00 C ATOM 710 O ASP A 75 20.171 21.539 -21.046 1.00 0.00 O ATOM 711 CB ASP A 75 19.808 21.712 -23.729 1.00 0.00 C ATOM 712 CG ASP A 75 20.507 22.993 -23.294 1.00 0.00 C ATOM 713 OD1 ASP A 75 20.036 24.056 -23.665 1.00 0.00 O ATOM 714 OD2 ASP A 75 21.505 22.894 -22.602 1.00 0.00 O1- ATOM 0 H ASP A 75 17.991 23.444 -22.519 1.00 0.00 H new ATOM 0 HA ASP A 75 18.078 20.552 -23.195 1.00 0.00 H new ATOM 0 HB2 ASP A 75 20.498 20.871 -23.660 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.505 21.791 -24.773 1.00 0.00 H new ATOM 719 N PRO A 76 18.132 20.794 -20.559 1.00 0.00 N ATOM 720 CA PRO A 76 18.426 20.570 -19.111 1.00 0.00 C ATOM 721 C PRO A 76 19.288 19.331 -18.883 1.00 0.00 C ATOM 722 O PRO A 76 18.774 18.231 -18.698 1.00 0.00 O ATOM 723 CB PRO A 76 17.033 20.404 -18.483 1.00 0.00 C ATOM 724 CG PRO A 76 16.161 19.886 -19.585 1.00 0.00 C ATOM 725 CD PRO A 76 16.738 20.436 -20.897 1.00 0.00 C ATOM 0 HA PRO A 76 18.998 21.388 -18.674 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.060 19.709 -17.644 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.659 21.353 -18.099 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.153 18.796 -19.592 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.130 20.212 -19.449 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.700 19.691 -21.692 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.178 21.303 -21.246 1.00 0.00 H new ATOM 733 N LYS A 77 20.603 19.521 -18.902 1.00 0.00 N ATOM 734 CA LYS A 77 21.525 18.410 -18.695 1.00 0.00 C ATOM 735 C LYS A 77 21.785 18.203 -17.209 1.00 0.00 C ATOM 736 O LYS A 77 22.692 18.804 -16.637 1.00 0.00 O ATOM 737 CB LYS A 77 22.847 18.699 -19.401 1.00 0.00 C ATOM 738 CG LYS A 77 22.611 18.936 -20.902 1.00 0.00 C ATOM 739 CD LYS A 77 22.427 17.596 -21.624 1.00 0.00 C ATOM 740 CE LYS A 77 22.323 17.838 -23.127 1.00 0.00 C ATOM 741 NZ LYS A 77 23.644 18.284 -23.646 1.00 0.00 N1+ ATOM 0 H LYS A 77 21.051 20.424 -19.057 1.00 0.00 H new ATOM 0 HA LYS A 77 21.076 17.506 -19.107 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.320 19.575 -18.958 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.532 17.863 -19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.728 19.559 -21.045 1.00 0.00 H new ATOM 0 HG3 LYS A 77 23.456 19.476 -21.330 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.267 16.936 -21.408 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.528 17.096 -21.262 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.010 16.925 -23.633 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.564 18.593 -23.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.697 18.096 -24.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.758 19.304 -23.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 24.402 17.765 -23.158 1.00 0.00 H new ATOM 755 N VAL A 78 20.981 17.345 -16.597 1.00 0.00 N ATOM 756 CA VAL A 78 21.113 17.046 -15.173 1.00 0.00 C ATOM 757 C VAL A 78 21.078 15.541 -14.953 1.00 0.00 C ATOM 758 O VAL A 78 20.664 14.783 -15.832 1.00 0.00 O ATOM 759 CB VAL A 78 19.980 17.723 -14.384 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.318 19.197 -14.156 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.669 17.633 -15.172 1.00 0.00 C ATOM 0 H VAL A 78 20.227 16.841 -17.064 1.00 0.00 H new ATOM 0 HA VAL A 78 22.068 17.433 -14.817 1.00 0.00 H new ATOM 0 HB VAL A 78 19.868 17.216 -13.426 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.512 19.673 -13.597 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.247 19.274 -13.591 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.436 19.696 -15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.871 18.115 -14.607 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.787 18.134 -16.133 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.415 16.586 -15.338 1.00 0.00 H new ATOM 771 N ILE A 79 21.536 15.116 -13.779 1.00 0.00 N ATOM 772 CA ILE A 79 21.580 13.699 -13.440 1.00 0.00 C ATOM 773 C ILE A 79 20.645 13.388 -12.274 1.00 0.00 C ATOM 774 O ILE A 79 20.263 14.278 -11.513 1.00 0.00 O ATOM 775 CB ILE A 79 23.010 13.310 -13.056 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.944 13.573 -14.239 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.043 11.824 -12.702 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.396 13.426 -13.782 1.00 0.00 C ATOM 0 H ILE A 79 21.882 15.735 -13.046 1.00 0.00 H new ATOM 0 HA ILE A 79 21.256 13.127 -14.310 1.00 0.00 H new ATOM 0 HB ILE A 79 23.336 13.901 -12.200 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.733 12.872 -15.046 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.775 14.575 -14.634 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.058 11.538 -12.427 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.373 11.635 -11.863 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.721 11.238 -13.563 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.063 13.613 -14.624 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.602 14.145 -12.989 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.559 12.415 -13.407 1.00 0.00 H new ATOM 790 N CYS A 80 20.280 12.113 -12.146 1.00 0.00 N ATOM 791 CA CYS A 80 19.393 11.683 -11.071 1.00 0.00 C ATOM 792 C CYS A 80 20.155 11.563 -9.759 1.00 0.00 C ATOM 793 O CYS A 80 21.385 11.622 -9.732 1.00 0.00 O ATOM 794 CB CYS A 80 18.754 10.328 -11.405 1.00 0.00 C ATOM 795 SG CYS A 80 18.387 10.252 -13.168 1.00 0.00 S ATOM 0 H CYS A 80 20.584 11.365 -12.770 1.00 0.00 H new ATOM 0 HA CYS A 80 18.611 12.436 -10.966 1.00 0.00 H new ATOM 0 HB2 CYS A 80 19.429 9.518 -11.128 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.840 10.193 -10.827 1.00 0.00 H new ATOM 0 HG CYS A 80 19.190 11.045 -13.813 1.00 0.00 H new ATOM 800 N ARG A 81 19.412 11.391 -8.674 1.00 0.00 N ATOM 801 CA ARG A 81 20.020 11.250 -7.359 1.00 0.00 C ATOM 802 C ARG A 81 20.740 9.910 -7.247 1.00 0.00 C ATOM 803 O ARG A 81 21.780 9.808 -6.597 1.00 0.00 O ATOM 804 CB ARG A 81 18.954 11.356 -6.266 1.00 0.00 C ATOM 805 CG ARG A 81 18.343 12.756 -6.283 1.00 0.00 C ATOM 806 CD ARG A 81 17.275 12.859 -5.196 1.00 0.00 C ATOM 807 NE ARG A 81 17.890 12.769 -3.877 1.00 0.00 N ATOM 808 CZ ARG A 81 17.149 12.692 -2.776 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.847 12.689 -2.867 1.00 0.00 N ATOM 810 NH2 ARG A 81 17.723 12.619 -1.607 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.393 11.346 -8.678 1.00 0.00 H new ATOM 0 HA ARG A 81 20.745 12.054 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.178 10.607 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.397 11.153 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.118 13.505 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.904 12.961 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.738 13.803 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.542 12.062 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 81 18.907 12.765 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.400 12.746 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.277 12.630 -2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.741 12.621 -1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.154 12.560 -0.762 1.00 0.00 H new ATOM 824 N THR A 82 20.171 8.879 -7.877 1.00 0.00 N ATOM 825 CA THR A 82 20.762 7.545 -7.832 1.00 0.00 C ATOM 826 C THR A 82 21.865 7.406 -8.878 1.00 0.00 C ATOM 827 O THR A 82 22.780 6.599 -8.724 1.00 0.00 O ATOM 828 CB THR A 82 19.681 6.489 -8.092 1.00 0.00 C ATOM 829 OG1 THR A 82 19.541 6.298 -9.494 1.00 0.00 O ATOM 830 CG2 THR A 82 18.347 6.965 -7.514 1.00 0.00 C ATOM 0 H THR A 82 19.309 8.944 -8.419 1.00 0.00 H new ATOM 0 HA THR A 82 21.195 7.395 -6.843 1.00 0.00 H new ATOM 0 HB THR A 82 19.969 5.551 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.852 5.622 -9.665 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.581 6.213 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.450 7.120 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.058 7.902 -7.989 1.00 0.00 H new ATOM 838 N CYS A 83 21.773 8.197 -9.943 1.00 0.00 N ATOM 839 CA CYS A 83 22.770 8.148 -11.008 1.00 0.00 C ATOM 840 C CYS A 83 24.061 8.839 -10.559 1.00 0.00 C ATOM 841 O CYS A 83 25.129 8.605 -11.122 1.00 0.00 O ATOM 842 CB CYS A 83 22.226 8.838 -12.266 1.00 0.00 C ATOM 843 SG CYS A 83 21.242 7.681 -13.256 1.00 0.00 S ATOM 0 H CYS A 83 21.025 8.874 -10.091 1.00 0.00 H new ATOM 0 HA CYS A 83 22.987 7.104 -11.235 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.613 9.693 -11.982 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.053 9.223 -12.863 1.00 0.00 H new ATOM 0 HG CYS A 83 20.078 8.204 -13.505 1.00 0.00 H new ATOM 947 N SER A 90 27.207 -4.632 -10.318 1.00 0.00 N ATOM 948 CA SER A 90 26.635 -5.647 -11.193 1.00 0.00 C ATOM 949 C SER A 90 27.513 -5.840 -12.426 1.00 0.00 C ATOM 950 O SER A 90 28.515 -5.147 -12.599 1.00 0.00 O ATOM 951 CB SER A 90 25.229 -5.230 -11.629 1.00 0.00 C ATOM 952 OG SER A 90 25.315 -4.076 -12.454 1.00 0.00 O ATOM 0 HA SER A 90 26.580 -6.587 -10.644 1.00 0.00 H new ATOM 0 HB2 SER A 90 24.748 -6.044 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 90 24.612 -5.021 -10.755 1.00 0.00 H new ATOM 0 HG SER A 90 26.095 -3.544 -12.192 1.00 0.00 H new ATOM 958 N ILE A 91 27.132 -6.790 -13.274 1.00 0.00 N ATOM 959 CA ILE A 91 27.889 -7.082 -14.492 1.00 0.00 C ATOM 960 C ILE A 91 26.955 -7.187 -15.690 1.00 0.00 C ATOM 961 O ILE A 91 25.894 -7.806 -15.610 1.00 0.00 O ATOM 962 CB ILE A 91 28.667 -8.389 -14.320 1.00 0.00 C ATOM 963 CG1 ILE A 91 29.715 -8.207 -13.223 1.00 0.00 C ATOM 964 CG2 ILE A 91 29.364 -8.753 -15.631 1.00 0.00 C ATOM 965 CD1 ILE A 91 30.326 -9.561 -12.863 1.00 0.00 C ATOM 0 H ILE A 91 26.305 -7.372 -13.143 1.00 0.00 H new ATOM 0 HA ILE A 91 28.590 -6.267 -14.670 1.00 0.00 H new ATOM 0 HB ILE A 91 27.978 -9.188 -14.046 1.00 0.00 H new ATOM 0 HG12 ILE A 91 30.494 -7.524 -13.561 1.00 0.00 H new ATOM 0 HG13 ILE A 91 29.258 -7.758 -12.341 1.00 0.00 H new ATOM 0 HG21 ILE A 91 29.916 -9.684 -15.503 1.00 0.00 H new ATOM 0 HG22 ILE A 91 28.619 -8.878 -16.417 1.00 0.00 H new ATOM 0 HG23 ILE A 91 30.054 -7.957 -15.909 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.073 -9.427 -12.080 1.00 0.00 H new ATOM 0 HD12 ILE A 91 29.543 -10.230 -12.506 1.00 0.00 H new ATOM 0 HD13 ILE A 91 30.799 -9.993 -13.745 1.00 0.00 H new ATOM 977 N TRP A 92 27.356 -6.577 -16.799 1.00 0.00 N ATOM 978 CA TRP A 92 26.546 -6.605 -18.011 1.00 0.00 C ATOM 979 C TRP A 92 26.817 -7.879 -18.808 1.00 0.00 C ATOM 980 O TRP A 92 27.969 -8.271 -18.995 1.00 0.00 O ATOM 981 CB TRP A 92 26.865 -5.387 -18.882 1.00 0.00 C ATOM 982 CG TRP A 92 25.840 -5.264 -19.963 1.00 0.00 C ATOM 983 CD1 TRP A 92 25.742 -6.081 -21.035 1.00 0.00 C ATOM 984 CD2 TRP A 92 24.769 -4.287 -20.096 1.00 0.00 C ATOM 985 NE1 TRP A 92 24.685 -5.669 -21.820 1.00 0.00 N ATOM 986 CE2 TRP A 92 24.050 -4.566 -21.283 1.00 0.00 C ATOM 987 CE3 TRP A 92 24.355 -3.198 -19.309 1.00 0.00 C ATOM 988 CZ2 TRP A 92 22.960 -3.788 -21.675 1.00 0.00 C ATOM 989 CZ3 TRP A 92 23.258 -2.415 -19.700 1.00 0.00 C ATOM 990 CH2 TRP A 92 22.561 -2.710 -20.881 1.00 0.00 C ATOM 0 H TRP A 92 28.231 -6.060 -16.884 1.00 0.00 H new ATOM 0 HA TRP A 92 25.495 -6.583 -17.721 1.00 0.00 H new ATOM 0 HB2 TRP A 92 26.876 -4.484 -18.272 1.00 0.00 H new ATOM 0 HB3 TRP A 92 27.859 -5.489 -19.318 1.00 0.00 H new ATOM 0 HD1 TRP A 92 26.387 -6.921 -21.244 1.00 0.00 H new ATOM 0 HE1 TRP A 92 24.407 -6.123 -22.690 1.00 0.00 H new ATOM 0 HE3 TRP A 92 24.885 -2.963 -18.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 22.428 -4.018 -22.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 22.949 -1.581 -19.088 1.00 0.00 H new ATOM 0 HH2 TRP A 92 21.717 -2.104 -21.176 1.00 0.00 H new ATOM 1001 N CYS A 93 25.747 -8.517 -19.284 1.00 0.00 N ATOM 1002 CA CYS A 93 25.867 -9.739 -20.073 1.00 0.00 C ATOM 1003 C CYS A 93 25.750 -9.398 -21.551 1.00 0.00 C ATOM 1004 O CYS A 93 24.777 -8.776 -21.969 1.00 0.00 O ATOM 1005 CB CYS A 93 24.766 -10.729 -19.682 1.00 0.00 C ATOM 1006 SG CYS A 93 25.288 -12.405 -20.124 1.00 0.00 S ATOM 0 H CYS A 93 24.787 -8.206 -19.135 1.00 0.00 H new ATOM 0 HA CYS A 93 26.837 -10.197 -19.879 1.00 0.00 H new ATOM 0 HB2 CYS A 93 24.568 -10.667 -18.612 1.00 0.00 H new ATOM 0 HB3 CYS A 93 23.836 -10.478 -20.193 1.00 0.00 H new ATOM 0 HG CYS A 93 24.375 -13.255 -19.757 1.00 0.00 H new ATOM 1011 N THR A 94 26.744 -9.789 -22.336 1.00 0.00 N ATOM 1012 CA THR A 94 26.727 -9.500 -23.769 1.00 0.00 C ATOM 1013 C THR A 94 26.158 -10.684 -24.547 1.00 0.00 C ATOM 1014 O THR A 94 25.878 -10.574 -25.740 1.00 0.00 O ATOM 1015 CB THR A 94 28.147 -9.202 -24.258 1.00 0.00 C ATOM 1016 OG1 THR A 94 28.809 -10.424 -24.555 1.00 0.00 O ATOM 1017 CG2 THR A 94 28.918 -8.457 -23.168 1.00 0.00 C ATOM 0 H THR A 94 27.565 -10.301 -22.013 1.00 0.00 H new ATOM 0 HA THR A 94 26.094 -8.629 -23.938 1.00 0.00 H new ATOM 0 HB THR A 94 28.101 -8.584 -25.155 1.00 0.00 H new ATOM 0 HG1 THR A 94 29.081 -10.860 -23.720 1.00 0.00 H new ATOM 0 HG21 THR A 94 29.929 -8.245 -23.517 1.00 0.00 H new ATOM 0 HG22 THR A 94 28.410 -7.520 -22.938 1.00 0.00 H new ATOM 0 HG23 THR A 94 28.966 -9.073 -22.270 1.00 0.00 H new ATOM 1025 N ALA A 95 25.986 -11.814 -23.867 1.00 0.00 N ATOM 1026 CA ALA A 95 25.449 -13.000 -24.514 1.00 0.00 C ATOM 1027 C ALA A 95 23.953 -12.842 -24.765 1.00 0.00 C ATOM 1028 O ALA A 95 23.463 -13.136 -25.855 1.00 0.00 O ATOM 1029 CB ALA A 95 25.709 -14.225 -23.634 1.00 0.00 C ATOM 0 H ALA A 95 26.209 -11.930 -22.878 1.00 0.00 H new ATOM 0 HA ALA A 95 25.945 -13.134 -25.475 1.00 0.00 H new ATOM 0 HB1 ALA A 95 25.306 -15.114 -24.120 1.00 0.00 H new ATOM 0 HB2 ALA A 95 26.782 -14.346 -23.487 1.00 0.00 H new ATOM 0 HB3 ALA A 95 25.224 -14.088 -22.667 1.00 0.00 H new ATOM 1035 N CYS A 96 23.232 -12.368 -23.749 1.00 0.00 N ATOM 1036 CA CYS A 96 21.785 -12.165 -23.860 1.00 0.00 C ATOM 1037 C CYS A 96 21.453 -10.680 -23.854 1.00 0.00 C ATOM 1038 O CYS A 96 20.304 -10.293 -24.063 1.00 0.00 O ATOM 1039 CB CYS A 96 21.064 -12.861 -22.701 1.00 0.00 C ATOM 1040 SG CYS A 96 21.675 -12.224 -21.120 1.00 0.00 S ATOM 0 H CYS A 96 23.624 -12.117 -22.841 1.00 0.00 H new ATOM 0 HA CYS A 96 21.448 -12.597 -24.802 1.00 0.00 H new ATOM 0 HB2 CYS A 96 19.989 -12.695 -22.778 1.00 0.00 H new ATOM 0 HB3 CYS A 96 21.225 -13.938 -22.756 1.00 0.00 H new ATOM 0 HG CYS A 96 22.950 -12.457 -21.022 1.00 0.00 H new ATOM 1045 N GLN A 97 22.472 -9.855 -23.623 1.00 0.00 N ATOM 1046 CA GLN A 97 22.288 -8.409 -23.607 1.00 0.00 C ATOM 1047 C GLN A 97 21.422 -7.992 -22.422 1.00 0.00 C ATOM 1048 O GLN A 97 20.579 -7.104 -22.540 1.00 0.00 O ATOM 1049 CB GLN A 97 21.634 -7.947 -24.915 1.00 0.00 C ATOM 1050 CG GLN A 97 21.887 -6.451 -25.122 1.00 0.00 C ATOM 1051 CD GLN A 97 21.238 -5.990 -26.421 1.00 0.00 C ATOM 1052 OE1 GLN A 97 20.020 -6.076 -26.572 1.00 0.00 O ATOM 1053 NE2 GLN A 97 21.984 -5.503 -27.371 1.00 0.00 N ATOM 0 H GLN A 97 23.428 -10.163 -23.445 1.00 0.00 H new ATOM 0 HA GLN A 97 23.266 -7.938 -23.509 1.00 0.00 H new ATOM 0 HB2 GLN A 97 22.039 -8.513 -25.754 1.00 0.00 H new ATOM 0 HB3 GLN A 97 20.562 -8.143 -24.885 1.00 0.00 H new ATOM 0 HG2 GLN A 97 21.483 -5.885 -24.283 1.00 0.00 H new ATOM 0 HG3 GLN A 97 22.959 -6.255 -25.151 1.00 0.00 H new ATOM 0 HE21 GLN A 97 22.993 -5.433 -27.242 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.559 -5.191 -28.244 1.00 0.00 H new ATOM 1062 N GLN A 98 21.627 -8.643 -21.279 1.00 0.00 N ATOM 1063 CA GLN A 98 20.855 -8.333 -20.076 1.00 0.00 C ATOM 1064 C GLN A 98 21.785 -8.102 -18.894 1.00 0.00 C ATOM 1065 O GLN A 98 22.792 -8.791 -18.738 1.00 0.00 O ATOM 1066 CB GLN A 98 19.899 -9.485 -19.757 1.00 0.00 C ATOM 1067 CG GLN A 98 18.928 -9.692 -20.925 1.00 0.00 C ATOM 1068 CD GLN A 98 18.035 -8.466 -21.083 1.00 0.00 C ATOM 1069 OE1 GLN A 98 17.419 -8.017 -20.117 1.00 0.00 O ATOM 1070 NE2 GLN A 98 17.924 -7.896 -22.252 1.00 0.00 N ATOM 0 H GLN A 98 22.317 -9.385 -21.160 1.00 0.00 H new ATOM 0 HA GLN A 98 20.280 -7.425 -20.258 1.00 0.00 H new ATOM 0 HB2 GLN A 98 20.464 -10.399 -19.575 1.00 0.00 H new ATOM 0 HB3 GLN A 98 19.344 -9.267 -18.845 1.00 0.00 H new ATOM 0 HG2 GLN A 98 19.485 -9.868 -21.845 1.00 0.00 H new ATOM 0 HG3 GLN A 98 18.317 -10.577 -20.748 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.435 -8.269 -23.052 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.326 -7.077 -22.366 1.00 0.00 H new ATOM 1079 N THR A 99 21.435 -7.124 -18.065 1.00 0.00 N ATOM 1080 CA THR A 99 22.240 -6.797 -16.893 1.00 0.00 C ATOM 1081 C THR A 99 21.930 -7.752 -15.750 1.00 0.00 C ATOM 1082 O THR A 99 20.766 -8.017 -15.450 1.00 0.00 O ATOM 1083 CB THR A 99 21.964 -5.362 -16.449 1.00 0.00 C ATOM 1084 OG1 THR A 99 22.210 -4.475 -17.531 1.00 0.00 O ATOM 1085 CG2 THR A 99 22.881 -5.007 -15.277 1.00 0.00 C ATOM 0 H THR A 99 20.603 -6.546 -18.182 1.00 0.00 H new ATOM 0 HA THR A 99 23.292 -6.896 -17.161 1.00 0.00 H new ATOM 0 HB THR A 99 20.924 -5.271 -16.137 1.00 0.00 H new ATOM 0 HG1 THR A 99 23.172 -4.441 -17.714 1.00 0.00 H new ATOM 0 HG21 THR A 99 22.685 -3.983 -14.959 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.691 -5.687 -14.447 1.00 0.00 H new ATOM 0 HG23 THR A 99 23.922 -5.097 -15.589 1.00 0.00 H new ATOM 1093 N LYS A 100 22.980 -8.267 -15.115 1.00 0.00 N ATOM 1094 CA LYS A 100 22.817 -9.200 -13.998 1.00 0.00 C ATOM 1095 C LYS A 100 23.762 -8.848 -12.858 1.00 0.00 C ATOM 1096 O LYS A 100 24.876 -8.374 -13.081 1.00 0.00 O ATOM 1097 CB LYS A 100 23.094 -10.630 -14.475 1.00 0.00 C ATOM 1098 CG LYS A 100 21.902 -11.158 -15.293 1.00 0.00 C ATOM 1099 CD LYS A 100 20.851 -11.769 -14.358 1.00 0.00 C ATOM 1100 CE LYS A 100 19.598 -12.115 -15.156 1.00 0.00 C ATOM 1101 NZ LYS A 100 18.602 -12.751 -14.249 1.00 0.00 N1+ ATOM 0 H LYS A 100 23.950 -8.057 -15.352 1.00 0.00 H new ATOM 0 HA LYS A 100 21.792 -9.127 -13.633 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.999 -10.650 -15.083 1.00 0.00 H new ATOM 0 HB3 LYS A 100 23.272 -11.279 -13.618 1.00 0.00 H new ATOM 0 HG2 LYS A 100 21.459 -10.346 -15.870 1.00 0.00 H new ATOM 0 HG3 LYS A 100 22.244 -11.907 -16.007 1.00 0.00 H new ATOM 0 HD2 LYS A 100 21.250 -12.664 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 100 20.605 -11.066 -13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 100 19.177 -11.215 -15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 100 19.848 -12.791 -15.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.745 -12.989 -14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 19.007 -13.618 -13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.358 -12.090 -13.484 1.00 0.00 H new ATOM 1115 N GLY A 101 23.304 -9.084 -11.636 1.00 0.00 N ATOM 1116 CA GLY A 101 24.115 -8.792 -10.460 1.00 0.00 C ATOM 1117 C GLY A 101 25.231 -9.814 -10.311 1.00 0.00 C ATOM 1118 O GLY A 101 25.223 -10.855 -10.966 1.00 0.00 O ATOM 0 H GLY A 101 22.383 -9.473 -11.433 1.00 0.00 H new ATOM 0 HA2 GLY A 101 24.540 -7.792 -10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 101 23.488 -8.798 -9.569 1.00 0.00 H new ATOM 1122 N ILE A 102 26.184 -9.510 -9.442 1.00 0.00 N ATOM 1123 CA ILE A 102 27.308 -10.412 -9.207 1.00 0.00 C ATOM 1124 C ILE A 102 26.856 -11.639 -8.424 1.00 0.00 C ATOM 1125 O ILE A 102 27.557 -12.653 -8.381 1.00 0.00 O ATOM 1126 CB ILE A 102 28.412 -9.681 -8.444 1.00 0.00 C ATOM 1127 CG1 ILE A 102 27.858 -9.143 -7.125 1.00 0.00 C ATOM 1128 CG2 ILE A 102 28.933 -8.517 -9.291 1.00 0.00 C ATOM 1129 CD1 ILE A 102 28.977 -8.440 -6.353 1.00 0.00 C ATOM 0 H ILE A 102 26.204 -8.652 -8.890 1.00 0.00 H new ATOM 0 HA ILE A 102 27.697 -10.741 -10.171 1.00 0.00 H new ATOM 0 HB ILE A 102 29.227 -10.375 -8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 102 27.041 -8.447 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 102 27.448 -9.959 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 102 29.720 -7.995 -8.747 1.00 0.00 H new ATOM 0 HG22 ILE A 102 29.333 -8.901 -10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 102 28.117 -7.825 -9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 102 28.584 -8.056 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 102 29.779 -9.149 -6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 102 29.366 -7.614 -6.948 1.00 0.00 H new ATOM 1141 N ASN A 103 25.681 -11.545 -7.810 1.00 0.00 N ATOM 1142 CA ASN A 103 25.142 -12.658 -7.039 1.00 0.00 C ATOM 1143 C ASN A 103 24.792 -13.829 -7.953 1.00 0.00 C ATOM 1144 O ASN A 103 25.063 -14.985 -7.630 1.00 0.00 O ATOM 1145 CB ASN A 103 23.893 -12.202 -6.273 1.00 0.00 C ATOM 1146 CG ASN A 103 24.301 -11.387 -5.049 1.00 0.00 C ATOM 1147 OD1 ASN A 103 23.793 -10.286 -4.838 1.00 0.00 O ATOM 1148 ND2 ASN A 103 25.191 -11.868 -4.226 1.00 0.00 N ATOM 0 H ASN A 103 25.088 -10.715 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 103 25.901 -12.989 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 103 23.256 -11.603 -6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 103 23.308 -13.069 -5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 103 25.468 -11.331 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 103 25.610 -12.781 -4.404 1.00 0.00 H new ATOM 1155 N GLU A 104 24.186 -13.514 -9.097 1.00 0.00 N ATOM 1156 CA GLU A 104 23.793 -14.542 -10.059 1.00 0.00 C ATOM 1157 C GLU A 104 24.871 -14.730 -11.105 1.00 0.00 C ATOM 1158 O GLU A 104 24.628 -15.335 -12.145 1.00 0.00 O ATOM 1159 CB GLU A 104 22.481 -14.150 -10.743 1.00 0.00 C ATOM 1160 CG GLU A 104 21.401 -13.901 -9.678 1.00 0.00 C ATOM 1161 CD GLU A 104 21.536 -12.490 -9.113 1.00 0.00 C ATOM 1162 OE1 GLU A 104 22.486 -11.817 -9.478 1.00 0.00 O ATOM 1163 OE2 GLU A 104 20.688 -12.104 -8.325 1.00 0.00 O1- ATOM 0 H GLU A 104 23.958 -12.561 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 104 23.654 -15.479 -9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 104 22.626 -13.253 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 104 22.162 -14.941 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.411 -14.033 -10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 104 21.495 -14.633 -8.876 1.00 0.00 H new ATOM 1170 N PHE A 105 26.064 -14.206 -10.824 1.00 0.00 N ATOM 1171 CA PHE A 105 27.191 -14.321 -11.755 1.00 0.00 C ATOM 1172 C PHE A 105 28.351 -15.062 -11.098 1.00 0.00 C ATOM 1173 O PHE A 105 28.759 -14.733 -9.985 1.00 0.00 O ATOM 1174 CB PHE A 105 27.634 -12.907 -12.204 1.00 0.00 C ATOM 1175 CG PHE A 105 27.600 -12.803 -13.706 1.00 0.00 C ATOM 1176 CD1 PHE A 105 28.504 -13.543 -14.469 1.00 0.00 C ATOM 1177 CD2 PHE A 105 26.664 -11.978 -14.333 1.00 0.00 C ATOM 1178 CE1 PHE A 105 28.472 -13.461 -15.862 1.00 0.00 C ATOM 1179 CE2 PHE A 105 26.633 -11.893 -15.720 1.00 0.00 C ATOM 1180 CZ PHE A 105 27.536 -12.633 -16.489 1.00 0.00 C ATOM 0 H PHE A 105 26.276 -13.700 -9.964 1.00 0.00 H new ATOM 0 HA PHE A 105 26.878 -14.891 -12.629 1.00 0.00 H new ATOM 0 HB2 PHE A 105 26.977 -12.156 -11.765 1.00 0.00 H new ATOM 0 HB3 PHE A 105 28.641 -12.701 -11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 105 29.228 -14.179 -13.982 1.00 0.00 H new ATOM 0 HD2 PHE A 105 25.965 -11.406 -13.741 1.00 0.00 H new ATOM 0 HE1 PHE A 105 29.169 -14.036 -16.454 1.00 0.00 H new ATOM 0 HE2 PHE A 105 25.910 -11.254 -16.205 1.00 0.00 H new ATOM 0 HZ PHE A 105 27.511 -12.565 -17.567 1.00 0.00 H new ATOM 1190 N SER A 106 28.879 -16.059 -11.799 1.00 0.00 N ATOM 1191 CA SER A 106 29.993 -16.831 -11.279 1.00 0.00 C ATOM 1192 C SER A 106 31.174 -15.917 -10.997 1.00 0.00 C ATOM 1193 O SER A 106 31.372 -14.919 -11.686 1.00 0.00 O ATOM 1194 CB SER A 106 30.391 -17.901 -12.295 1.00 0.00 C ATOM 1195 OG SER A 106 30.401 -17.327 -13.596 1.00 0.00 O ATOM 0 H SER A 106 28.554 -16.348 -12.722 1.00 0.00 H new ATOM 0 HA SER A 106 29.693 -17.312 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 106 31.376 -18.301 -12.053 1.00 0.00 H new ATOM 0 HB3 SER A 106 29.690 -18.735 -12.257 1.00 0.00 H new ATOM 0 HG SER A 106 31.327 -17.217 -13.898 1.00 0.00 H new ATOM 1201 N LYS A 107 31.954 -16.270 -9.979 1.00 0.00 N ATOM 1202 CA LYS A 107 33.121 -15.476 -9.599 1.00 0.00 C ATOM 1203 C LYS A 107 34.169 -15.488 -10.707 1.00 0.00 C ATOM 1204 O LYS A 107 34.782 -14.464 -11.005 1.00 0.00 O ATOM 1205 CB LYS A 107 33.731 -16.027 -8.310 1.00 0.00 C ATOM 1206 CG LYS A 107 34.870 -15.113 -7.854 1.00 0.00 C ATOM 1207 CD LYS A 107 35.426 -15.616 -6.521 1.00 0.00 C ATOM 1208 CE LYS A 107 36.549 -14.688 -6.053 1.00 0.00 C ATOM 1209 NZ LYS A 107 37.033 -15.132 -4.715 1.00 0.00 N1+ ATOM 0 H LYS A 107 31.801 -17.098 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 107 32.796 -14.448 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 107 32.969 -16.092 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 107 34.105 -17.037 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 107 35.659 -15.095 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 107 34.509 -14.090 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 107 34.633 -15.650 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 107 35.803 -16.633 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 107 37.369 -14.700 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 107 36.188 -13.661 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 37.796 -14.502 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 36.248 -15.098 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 37.392 -16.106 -4.781 1.00 0.00 H new ATOM 1223 N ALA A 108 34.368 -16.653 -11.311 1.00 0.00 N ATOM 1224 CA ALA A 108 35.348 -16.789 -12.380 1.00 0.00 C ATOM 1225 C ALA A 108 34.998 -15.877 -13.550 1.00 0.00 C ATOM 1226 O ALA A 108 35.882 -15.362 -14.226 1.00 0.00 O ATOM 1227 CB ALA A 108 35.401 -18.240 -12.860 1.00 0.00 C ATOM 0 H ALA A 108 33.868 -17.511 -11.081 1.00 0.00 H new ATOM 0 HA ALA A 108 36.324 -16.500 -11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 108 36.136 -18.332 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 108 35.684 -18.888 -12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 108 34.421 -18.536 -13.233 1.00 0.00 H new ATOM 1233 N GLN A 109 33.705 -15.688 -13.787 1.00 0.00 N ATOM 1234 CA GLN A 109 33.253 -14.839 -14.888 1.00 0.00 C ATOM 1235 C GLN A 109 33.705 -13.392 -14.669 1.00 0.00 C ATOM 1236 O GLN A 109 34.193 -12.735 -15.583 1.00 0.00 O ATOM 1237 CB GLN A 109 31.715 -14.910 -14.989 1.00 0.00 C ATOM 1238 CG GLN A 109 31.298 -15.933 -16.053 1.00 0.00 C ATOM 1239 CD GLN A 109 32.025 -17.254 -15.815 1.00 0.00 C ATOM 1240 OE1 GLN A 109 32.448 -17.541 -14.696 1.00 0.00 O ATOM 1241 NE2 GLN A 109 32.204 -18.074 -16.811 1.00 0.00 N ATOM 0 H GLN A 109 32.955 -16.107 -13.237 1.00 0.00 H new ATOM 0 HA GLN A 109 33.693 -15.196 -15.819 1.00 0.00 H new ATOM 0 HB2 GLN A 109 31.293 -15.187 -14.023 1.00 0.00 H new ATOM 0 HB3 GLN A 109 31.315 -13.928 -15.242 1.00 0.00 H new ATOM 0 HG2 GLN A 109 30.220 -16.089 -16.017 1.00 0.00 H new ATOM 0 HG3 GLN A 109 31.532 -15.553 -17.047 1.00 0.00 H new ATOM 0 HE21 GLN A 109 31.853 -17.835 -17.738 1.00 0.00 H new ATOM 0 HE22 GLN A 109 32.695 -18.956 -16.664 1.00 0.00 H new ATOM 1250 N ARG A 110 33.532 -12.903 -13.455 1.00 0.00 N ATOM 1251 CA ARG A 110 33.914 -11.536 -13.129 1.00 0.00 C ATOM 1252 C ARG A 110 35.391 -11.304 -13.439 1.00 0.00 C ATOM 1253 O ARG A 110 35.901 -10.194 -13.271 1.00 0.00 O ATOM 1254 CB ARG A 110 33.653 -11.252 -11.644 1.00 0.00 C ATOM 1255 CG ARG A 110 32.348 -11.916 -11.218 1.00 0.00 C ATOM 1256 CD ARG A 110 32.002 -11.480 -9.799 1.00 0.00 C ATOM 1257 NE ARG A 110 31.982 -10.027 -9.710 1.00 0.00 N ATOM 1258 CZ ARG A 110 32.158 -9.410 -8.546 1.00 0.00 C ATOM 1259 NH1 ARG A 110 32.342 -10.108 -7.460 1.00 0.00 N ATOM 1260 NH2 ARG A 110 32.151 -8.106 -8.493 1.00 0.00 N1+ ATOM 0 H ARG A 110 33.131 -13.428 -12.678 1.00 0.00 H new ATOM 0 HA ARG A 110 33.313 -10.860 -13.737 1.00 0.00 H new ATOM 0 HB2 ARG A 110 34.479 -11.629 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 110 33.599 -10.177 -11.473 1.00 0.00 H new ATOM 0 HG2 ARG A 110 31.546 -11.639 -11.902 1.00 0.00 H new ATOM 0 HG3 ARG A 110 32.446 -13.001 -11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 110 31.030 -11.882 -9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 110 32.732 -11.884 -9.098 1.00 0.00 H new ATOM 0 HE ARG A 110 31.831 -9.474 -10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 110 32.351 -11.127 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 110 32.477 -9.635 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 110 32.011 -7.562 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 110 32.286 -7.631 -7.600 1.00 0.00 H new ATOM 1274 N HIS A 111 36.078 -12.357 -13.875 1.00 0.00 N ATOM 1275 CA HIS A 111 37.504 -12.275 -14.193 1.00 0.00 C ATOM 1276 C HIS A 111 37.758 -12.509 -15.682 1.00 0.00 C ATOM 1277 O HIS A 111 38.869 -12.866 -16.074 1.00 0.00 O ATOM 1278 CB HIS A 111 38.273 -13.308 -13.370 1.00 0.00 C ATOM 1279 CG HIS A 111 38.229 -12.910 -11.920 1.00 0.00 C ATOM 1280 ND1 HIS A 111 37.109 -13.113 -11.129 1.00 0.00 N ATOM 1281 CD2 HIS A 111 39.161 -12.317 -11.105 1.00 0.00 C ATOM 1282 CE1 HIS A 111 37.394 -12.651 -9.897 1.00 0.00 C ATOM 1283 NE2 HIS A 111 38.632 -12.155 -9.828 1.00 0.00 N ATOM 0 H HIS A 111 35.670 -13.281 -14.017 1.00 0.00 H new ATOM 0 HA HIS A 111 37.850 -11.271 -13.945 1.00 0.00 H new ATOM 0 HB2 HIS A 111 37.834 -14.297 -13.502 1.00 0.00 H new ATOM 0 HB3 HIS A 111 39.306 -13.369 -13.713 1.00 0.00 H new ATOM 0 HD1 HIS A 111 36.229 -13.535 -11.426 1.00 0.00 H new ATOM 0 HD2 HIS A 111 40.154 -12.021 -11.409 1.00 0.00 H new ATOM 0 HE1 HIS A 111 36.705 -12.678 -9.066 1.00 0.00 H new ATOM 1291 N VAL A 112 36.730 -12.313 -16.514 1.00 0.00 N ATOM 1292 CA VAL A 112 36.864 -12.514 -17.950 1.00 0.00 C ATOM 1293 C VAL A 112 36.388 -11.267 -18.692 1.00 0.00 C ATOM 1294 O VAL A 112 35.639 -10.457 -18.149 1.00 0.00 O ATOM 1295 CB VAL A 112 36.025 -13.732 -18.378 1.00 0.00 C ATOM 1296 CG1 VAL A 112 36.160 -14.841 -17.330 1.00 0.00 C ATOM 1297 CG2 VAL A 112 34.544 -13.337 -18.541 1.00 0.00 C ATOM 0 H VAL A 112 35.801 -12.016 -16.214 1.00 0.00 H new ATOM 0 HA VAL A 112 37.911 -12.694 -18.195 1.00 0.00 H new ATOM 0 HB VAL A 112 36.392 -14.094 -19.338 1.00 0.00 H new ATOM 0 HG11 VAL A 112 35.566 -15.703 -17.634 1.00 0.00 H new ATOM 0 HG12 VAL A 112 37.206 -15.134 -17.243 1.00 0.00 H new ATOM 0 HG13 VAL A 112 35.804 -14.476 -16.366 1.00 0.00 H new ATOM 0 HG21 VAL A 112 33.966 -14.210 -18.844 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.162 -12.960 -17.593 1.00 0.00 H new ATOM 0 HG23 VAL A 112 34.456 -12.562 -19.302 1.00 0.00 H new ATOM 1307 N LEU A 113 36.840 -11.121 -19.926 1.00 0.00 N ATOM 1308 CA LEU A 113 36.463 -9.970 -20.735 1.00 0.00 C ATOM 1309 C LEU A 113 34.966 -9.973 -21.030 1.00 0.00 C ATOM 1310 O LEU A 113 34.329 -8.921 -21.006 1.00 0.00 O ATOM 1311 CB LEU A 113 37.235 -9.987 -22.058 1.00 0.00 C ATOM 1312 CG LEU A 113 38.638 -9.430 -21.840 1.00 0.00 C ATOM 1313 CD1 LEU A 113 39.365 -10.273 -20.790 1.00 0.00 C ATOM 1314 CD2 LEU A 113 39.412 -9.474 -23.157 1.00 0.00 C ATOM 0 H LEU A 113 37.465 -11.780 -20.389 1.00 0.00 H new ATOM 0 HA LEU A 113 36.708 -9.069 -20.172 1.00 0.00 H new ATOM 0 HB2 LEU A 113 37.293 -11.005 -22.444 1.00 0.00 H new ATOM 0 HB3 LEU A 113 36.709 -9.393 -22.805 1.00 0.00 H new ATOM 0 HG LEU A 113 38.571 -8.399 -21.492 1.00 0.00 H new ATOM 0 HD11 LEU A 113 40.368 -9.875 -20.634 1.00 0.00 H new ATOM 0 HD12 LEU A 113 38.812 -10.241 -19.851 1.00 0.00 H new ATOM 0 HD13 LEU A 113 39.434 -11.304 -21.136 1.00 0.00 H new ATOM 0 HD21 LEU A 113 40.415 -9.076 -23.003 1.00 0.00 H new ATOM 0 HD22 LEU A 113 39.480 -10.505 -23.505 1.00 0.00 H new ATOM 0 HD23 LEU A 113 38.894 -8.872 -23.904 1.00 0.00 H new ATOM 1326 N ASP A 114 34.413 -11.152 -21.324 1.00 0.00 N ATOM 1327 CA ASP A 114 32.991 -11.265 -21.646 1.00 0.00 C ATOM 1328 C ASP A 114 32.281 -12.176 -20.634 1.00 0.00 C ATOM 1329 O ASP A 114 32.296 -13.399 -20.782 1.00 0.00 O ATOM 1330 CB ASP A 114 32.824 -11.838 -23.050 1.00 0.00 C ATOM 1331 CG ASP A 114 31.372 -11.672 -23.497 1.00 0.00 C ATOM 1332 OD1 ASP A 114 30.725 -10.758 -23.011 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 30.929 -12.459 -24.314 1.00 0.00 O ATOM 0 H ASP A 114 34.924 -12.034 -21.345 1.00 0.00 H new ATOM 0 HA ASP A 114 32.545 -10.272 -21.600 1.00 0.00 H new ATOM 0 HB2 ASP A 114 33.491 -11.327 -23.745 1.00 0.00 H new ATOM 0 HB3 ASP A 114 33.101 -12.892 -23.060 1.00 0.00 H new ATOM 1338 N PRO A 115 31.690 -11.615 -19.610 1.00 0.00 N ATOM 1339 CA PRO A 115 30.998 -12.407 -18.554 1.00 0.00 C ATOM 1340 C PRO A 115 29.630 -12.895 -19.016 1.00 0.00 C ATOM 1341 O PRO A 115 28.826 -12.120 -19.530 1.00 0.00 O ATOM 1342 CB PRO A 115 30.878 -11.415 -17.382 1.00 0.00 C ATOM 1343 CG PRO A 115 30.865 -10.053 -18.015 1.00 0.00 C ATOM 1344 CD PRO A 115 31.610 -10.170 -19.347 1.00 0.00 C ATOM 0 HA PRO A 115 31.540 -13.314 -18.288 1.00 0.00 H new ATOM 0 HB2 PRO A 115 29.967 -11.591 -16.809 1.00 0.00 H new ATOM 0 HB3 PRO A 115 31.714 -11.520 -16.691 1.00 0.00 H new ATOM 0 HG2 PRO A 115 29.842 -9.712 -18.174 1.00 0.00 H new ATOM 0 HG3 PRO A 115 31.348 -9.322 -17.366 1.00 0.00 H new ATOM 0 HD2 PRO A 115 31.077 -9.652 -20.145 1.00 0.00 H new ATOM 0 HD3 PRO A 115 32.603 -9.724 -19.285 1.00 0.00 H new ATOM 1352 N ARG A 116 29.370 -14.186 -18.826 1.00 0.00 N ATOM 1353 CA ARG A 116 28.088 -14.774 -19.220 1.00 0.00 C ATOM 1354 C ARG A 116 27.256 -15.112 -17.985 1.00 0.00 C ATOM 1355 O ARG A 116 27.733 -15.781 -17.068 1.00 0.00 O ATOM 1356 CB ARG A 116 28.331 -16.043 -20.034 1.00 0.00 C ATOM 1357 CG ARG A 116 28.967 -15.672 -21.376 1.00 0.00 C ATOM 1358 CD ARG A 116 29.237 -16.941 -22.181 1.00 0.00 C ATOM 1359 NE ARG A 116 29.823 -16.598 -23.474 1.00 0.00 N ATOM 1360 CZ ARG A 116 31.135 -16.434 -23.617 1.00 0.00 C ATOM 1361 NH1 ARG A 116 31.924 -16.571 -22.587 1.00 0.00 N ATOM 1362 NH2 ARG A 116 31.633 -16.131 -24.783 1.00 0.00 N1+ ATOM 0 H ARG A 116 30.025 -14.844 -18.404 1.00 0.00 H new ATOM 0 HA ARG A 116 27.543 -14.050 -19.826 1.00 0.00 H new ATOM 0 HB2 ARG A 116 28.984 -16.721 -19.485 1.00 0.00 H new ATOM 0 HB3 ARG A 116 27.390 -16.569 -20.198 1.00 0.00 H new ATOM 0 HG2 ARG A 116 28.305 -15.009 -21.933 1.00 0.00 H new ATOM 0 HG3 ARG A 116 29.897 -15.128 -21.211 1.00 0.00 H new ATOM 0 HD2 ARG A 116 29.912 -17.595 -21.629 1.00 0.00 H new ATOM 0 HD3 ARG A 116 28.308 -17.492 -22.328 1.00 0.00 H new ATOM 0 HE ARG A 116 29.214 -16.482 -24.284 1.00 0.00 H new ATOM 0 HH11 ARG A 116 31.534 -16.804 -21.673 1.00 0.00 H new ATOM 0 HH12 ARG A 116 32.930 -16.446 -22.695 1.00 0.00 H new ATOM 0 HH21 ARG A 116 31.016 -16.019 -25.588 1.00 0.00 H new ATOM 0 HH22 ARG A 116 32.640 -16.006 -24.891 1.00 0.00 H new ATOM 1376 N CYS A 117 26.013 -14.643 -17.971 1.00 0.00 N ATOM 1377 CA CYS A 117 25.125 -14.897 -16.842 1.00 0.00 C ATOM 1378 C CYS A 117 24.919 -16.395 -16.650 1.00 0.00 C ATOM 1379 O CYS A 117 24.984 -17.167 -17.606 1.00 0.00 O ATOM 1380 CB CYS A 117 23.776 -14.212 -17.075 1.00 0.00 C ATOM 1381 SG CYS A 117 22.991 -14.886 -18.558 1.00 0.00 S ATOM 0 H CYS A 117 25.600 -14.090 -18.722 1.00 0.00 H new ATOM 0 HA CYS A 117 25.584 -14.490 -15.941 1.00 0.00 H new ATOM 0 HB2 CYS A 117 23.129 -14.361 -16.211 1.00 0.00 H new ATOM 0 HB3 CYS A 117 23.918 -13.137 -17.185 1.00 0.00 H new ATOM 0 HG CYS A 117 21.846 -14.300 -18.747 1.00 0.00 H new ATOM 1386 N GLN A 118 24.675 -16.803 -15.404 1.00 0.00 N ATOM 1387 CA GLN A 118 24.467 -18.215 -15.106 1.00 0.00 C ATOM 1388 C GLN A 118 23.434 -18.823 -16.048 1.00 0.00 C ATOM 1389 O GLN A 118 23.314 -20.044 -16.148 1.00 0.00 O ATOM 1390 CB GLN A 118 24.002 -18.381 -13.659 1.00 0.00 C ATOM 1391 CG GLN A 118 25.179 -18.142 -12.713 1.00 0.00 C ATOM 1392 CD GLN A 118 26.179 -19.285 -12.823 1.00 0.00 C ATOM 1393 OE1 GLN A 118 27.435 -19.017 -13.042 1.00 0.00 O flip ATOM 1394 NE2 GLN A 118 25.806 -20.453 -12.711 1.00 0.00 N flip ATOM 0 H GLN A 118 24.618 -16.183 -14.596 1.00 0.00 H new ATOM 0 HA GLN A 118 25.414 -18.736 -15.246 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.198 -17.677 -13.441 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.598 -19.382 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 118 25.666 -17.198 -12.957 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.820 -18.060 -11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 118 24.822 -20.660 -12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.481 -21.214 -12.790 1.00 0.00 H new ATOM 1403 N ILE A 119 22.687 -17.967 -16.739 1.00 0.00 N ATOM 1404 CA ILE A 119 21.665 -18.434 -17.675 1.00 0.00 C ATOM 1405 C ILE A 119 22.257 -18.654 -19.067 1.00 0.00 C ATOM 1406 O ILE A 119 21.928 -19.628 -19.744 1.00 0.00 O ATOM 1407 CB ILE A 119 20.535 -17.412 -17.755 1.00 0.00 C ATOM 1408 CG1 ILE A 119 19.938 -17.207 -16.362 1.00 0.00 C ATOM 1409 CG2 ILE A 119 19.455 -17.922 -18.704 1.00 0.00 C ATOM 1410 CD1 ILE A 119 18.992 -16.006 -16.386 1.00 0.00 C ATOM 0 H ILE A 119 22.768 -16.953 -16.671 1.00 0.00 H new ATOM 0 HA ILE A 119 21.276 -19.385 -17.311 1.00 0.00 H new ATOM 0 HB ILE A 119 20.925 -16.464 -18.127 1.00 0.00 H new ATOM 0 HG12 ILE A 119 19.399 -18.102 -16.050 1.00 0.00 H new ATOM 0 HG13 ILE A 119 20.733 -17.043 -15.634 1.00 0.00 H new ATOM 0 HG21 ILE A 119 18.647 -17.192 -18.762 1.00 0.00 H new ATOM 0 HG22 ILE A 119 19.882 -18.070 -19.696 1.00 0.00 H new ATOM 0 HG23 ILE A 119 19.063 -18.869 -18.333 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.566 -15.859 -15.394 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.544 -15.113 -16.680 1.00 0.00 H new ATOM 0 HD13 ILE A 119 18.190 -16.188 -17.102 1.00 0.00 H new ATOM 1422 N CYS A 120 23.127 -17.740 -19.488 1.00 0.00 N ATOM 1423 CA CYS A 120 23.754 -17.837 -20.807 1.00 0.00 C ATOM 1424 C CYS A 120 24.707 -19.030 -20.874 1.00 0.00 C ATOM 1425 O CYS A 120 24.819 -19.689 -21.908 1.00 0.00 O ATOM 1426 CB CYS A 120 24.511 -16.532 -21.130 1.00 0.00 C ATOM 1427 SG CYS A 120 23.369 -15.355 -21.891 1.00 0.00 S ATOM 0 H CYS A 120 23.414 -16.928 -18.941 1.00 0.00 H new ATOM 0 HA CYS A 120 22.969 -17.988 -21.548 1.00 0.00 H new ATOM 0 HB2 CYS A 120 24.935 -16.109 -20.220 1.00 0.00 H new ATOM 0 HB3 CYS A 120 25.343 -16.737 -21.804 1.00 0.00 H new ATOM 0 HG CYS A 120 22.796 -14.646 -20.965 1.00 0.00 H new ATOM 1432 N VAL A 121 25.387 -19.298 -19.770 1.00 0.00 N ATOM 1433 CA VAL A 121 26.329 -20.406 -19.718 1.00 0.00 C ATOM 1434 C VAL A 121 25.595 -21.740 -19.783 1.00 0.00 C ATOM 1435 O VAL A 121 26.079 -22.697 -20.389 1.00 0.00 O ATOM 1436 CB VAL A 121 27.155 -20.335 -18.432 1.00 0.00 C ATOM 1437 CG1 VAL A 121 27.834 -18.966 -18.328 1.00 0.00 C ATOM 1438 CG2 VAL A 121 26.239 -20.543 -17.229 1.00 0.00 C ATOM 0 H VAL A 121 25.305 -18.767 -18.903 1.00 0.00 H new ATOM 0 HA VAL A 121 26.994 -20.330 -20.578 1.00 0.00 H new ATOM 0 HB VAL A 121 27.918 -21.114 -18.449 1.00 0.00 H new ATOM 0 HG11 VAL A 121 28.421 -18.920 -17.411 1.00 0.00 H new ATOM 0 HG12 VAL A 121 28.490 -18.819 -19.186 1.00 0.00 H new ATOM 0 HG13 VAL A 121 27.075 -18.184 -18.313 1.00 0.00 H new ATOM 0 HG21 VAL A 121 26.826 -20.493 -16.312 1.00 0.00 H new ATOM 0 HG22 VAL A 121 25.475 -19.765 -17.214 1.00 0.00 H new ATOM 0 HG23 VAL A 121 25.761 -21.520 -17.301 1.00 0.00 H new ATOM 1448 N HIS A 122 24.427 -21.797 -19.151 1.00 0.00 N ATOM 1449 CA HIS A 122 23.635 -23.021 -19.138 1.00 0.00 C ATOM 1450 C HIS A 122 22.839 -23.160 -20.431 1.00 0.00 C ATOM 1451 O HIS A 122 22.146 -24.155 -20.635 1.00 0.00 O ATOM 1452 CB HIS A 122 22.673 -23.009 -17.948 1.00 0.00 C ATOM 1453 CG HIS A 122 21.802 -24.235 -17.994 1.00 0.00 C ATOM 1454 ND1 HIS A 122 22.274 -25.490 -17.636 1.00 0.00 N ATOM 1455 CD2 HIS A 122 20.490 -24.419 -18.356 1.00 0.00 C ATOM 1456 CE1 HIS A 122 21.261 -26.363 -17.788 1.00 0.00 C ATOM 1457 NE2 HIS A 122 20.151 -25.762 -18.226 1.00 0.00 N ATOM 0 H HIS A 122 24.011 -21.016 -18.645 1.00 0.00 H new ATOM 0 HA HIS A 122 24.315 -23.868 -19.049 1.00 0.00 H new ATOM 0 HB2 HIS A 122 23.234 -22.983 -17.014 1.00 0.00 H new ATOM 0 HB3 HIS A 122 22.056 -22.111 -17.974 1.00 0.00 H new ATOM 0 HD2 HIS A 122 19.822 -23.639 -18.691 1.00 0.00 H new ATOM 0 HE1 HIS A 122 21.336 -27.420 -17.581 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.249 -26.195 -18.423 1.00 0.00 H new