USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 901 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 Single : A 8 GLN : amide:sc= -2.37! K(o=-2.4!,f=-1.3) USER MOD Single : A 10 SER OG : rot -170:sc= -0.99 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0.984 (180deg=0.902) USER MOD Single : A 14 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= -0.136 (180deg=-1.09) USER MOD Single : A 22 SER OG : rot -33:sc= -0.961! USER MOD Single : A 25 CYS SG : rot 108:sc= -3.09! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -168:sc= 0.845 USER MOD Single : A 30 THR OG1 : rot -173:sc= -4.4! USER MOD Single : A 37 HIS : no HE2:sc= -12.6! C(o=-13!,f=-12!) USER MOD Single : A 41 GLN : amide:sc=-0.00413 X(o=-0.0041,f=-0.39) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.4!) USER MOD Single : A 46 ASN : amide:sc= -1.01 K(o=-1,f=-0.062) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.745 USER MOD Single : A 53 SER OG : rot 180:sc= -1.06 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.045) USER MOD Single : A 65 SER OG : rot 180:sc= -1.1 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot -109:sc= 0.0051 USER MOD Single : A 82 SER OG : rot 180:sc= -0.149 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc=-0.00952 (180deg=-0.00952) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.159) USER MOD Single : A 101 MET CE :methyl -130:sc= 0 (180deg=-0.912) USER MOD Single : A 104 ASN : amide:sc= -0.653 K(o=-0.65,f=-3.9!) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.29 USER MOD Single : A 111 LYS NZ :NH3+ -168:sc= 0.108 (180deg=0.0749) USER MOD Single : A 117 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-8.3!) USER MOD Single : A 122 MET CE :methyl -141:sc= -2.52 (180deg=-4.33!) USER MOD Single : A 124 CYS SG : rot 22:sc= 0.098 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.568 2.674 -18.855 1.00 0.00 N ATOM 59 CA VAL A 4 2.502 3.782 -18.696 1.00 0.00 C ATOM 60 C VAL A 4 2.152 4.941 -19.623 1.00 0.00 C ATOM 61 O VAL A 4 2.228 4.822 -20.846 1.00 0.00 O ATOM 62 CB VAL A 4 3.959 3.352 -18.964 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.666 3.017 -17.660 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.013 2.171 -19.925 1.00 0.00 C ATOM 0 HA VAL A 4 2.415 4.106 -17.659 1.00 0.00 H new ATOM 0 HB VAL A 4 4.478 4.189 -19.432 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.692 2.716 -17.870 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.670 3.894 -17.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.143 2.201 -17.162 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.052 1.889 -20.096 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.474 1.327 -19.495 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.552 2.451 -20.872 1.00 0.00 H new ATOM 74 N VAL A 5 1.778 6.063 -19.023 1.00 0.00 N ATOM 75 CA VAL A 5 1.423 7.261 -19.773 1.00 0.00 C ATOM 76 C VAL A 5 2.672 8.058 -20.138 1.00 0.00 C ATOM 77 O VAL A 5 3.669 8.015 -19.417 1.00 0.00 O ATOM 78 CB VAL A 5 0.467 8.164 -18.970 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.864 7.466 -18.741 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.101 8.572 -17.647 1.00 0.00 C ATOM 0 H VAL A 5 1.712 6.169 -18.011 1.00 0.00 H new ATOM 0 HA VAL A 5 0.919 6.934 -20.682 1.00 0.00 H new ATOM 0 HB VAL A 5 0.279 9.068 -19.550 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.525 8.120 -18.172 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.323 7.233 -19.702 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.700 6.543 -18.184 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.411 9.209 -17.094 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.322 7.681 -17.059 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.024 9.118 -17.839 1.00 0.00 H new ATOM 90 N PRO A 6 2.636 8.799 -21.264 1.00 0.00 N ATOM 91 CA PRO A 6 3.766 9.609 -21.720 1.00 0.00 C ATOM 92 C PRO A 6 4.540 10.239 -20.564 1.00 0.00 C ATOM 93 O PRO A 6 5.762 10.380 -20.625 1.00 0.00 O ATOM 94 CB PRO A 6 3.081 10.679 -22.563 1.00 0.00 C ATOM 95 CG PRO A 6 1.904 9.982 -23.162 1.00 0.00 C ATOM 96 CD PRO A 6 1.483 8.912 -22.179 1.00 0.00 C ATOM 0 HA PRO A 6 4.512 9.024 -22.258 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.772 11.528 -21.953 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.748 11.066 -23.333 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.090 10.684 -23.342 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.164 9.542 -24.125 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.575 9.194 -21.645 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.277 7.967 -22.681 1.00 0.00 H new ATOM 104 N ASP A 7 3.820 10.594 -19.506 1.00 0.00 N ATOM 105 CA ASP A 7 4.426 11.183 -18.327 1.00 0.00 C ATOM 106 C ASP A 7 3.691 10.709 -17.081 1.00 0.00 C ATOM 107 O ASP A 7 2.675 11.278 -16.686 1.00 0.00 O ATOM 108 CB ASP A 7 4.403 12.710 -18.416 1.00 0.00 C ATOM 109 CG ASP A 7 5.476 13.253 -19.339 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.583 12.674 -19.369 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.212 14.259 -20.031 1.00 0.00 O ATOM 0 H ASP A 7 2.808 10.481 -19.445 1.00 0.00 H new ATOM 0 HA ASP A 7 5.467 10.864 -18.267 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.425 13.036 -18.770 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.538 13.131 -17.420 1.00 0.00 H new ATOM 116 N GLN A 8 4.204 9.655 -16.469 1.00 0.00 N ATOM 117 CA GLN A 8 3.591 9.102 -15.268 1.00 0.00 C ATOM 118 C GLN A 8 3.668 10.121 -14.146 1.00 0.00 C ATOM 119 O GLN A 8 2.704 10.330 -13.402 1.00 0.00 O ATOM 120 CB GLN A 8 4.268 7.790 -14.856 1.00 0.00 C ATOM 121 CG GLN A 8 5.776 7.785 -15.051 1.00 0.00 C ATOM 122 CD GLN A 8 6.194 7.096 -16.335 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.901 7.672 -17.161 1.00 0.00 O ATOM 124 NE2 GLN A 8 5.755 5.853 -16.510 1.00 0.00 N ATOM 0 H GLN A 8 5.042 9.164 -16.781 1.00 0.00 H new ATOM 0 HA GLN A 8 2.545 8.879 -15.479 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.047 7.593 -13.807 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.835 6.973 -15.432 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.141 8.812 -15.058 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.247 7.285 -14.205 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.171 5.414 -15.799 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.003 5.339 -17.355 1.00 0.00 H new ATOM 133 N ARG A 9 4.811 10.783 -14.057 1.00 0.00 N ATOM 134 CA ARG A 9 5.007 11.818 -13.061 1.00 0.00 C ATOM 135 C ARG A 9 4.081 12.978 -13.362 1.00 0.00 C ATOM 136 O ARG A 9 3.719 13.736 -12.470 1.00 0.00 O ATOM 137 CB ARG A 9 6.463 12.285 -13.037 1.00 0.00 C ATOM 138 CG ARG A 9 6.965 12.796 -14.378 1.00 0.00 C ATOM 139 CD ARG A 9 8.458 13.078 -14.339 1.00 0.00 C ATOM 140 NE ARG A 9 8.854 14.086 -15.321 1.00 0.00 N ATOM 141 CZ ARG A 9 9.116 13.816 -16.598 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.021 12.573 -17.056 1.00 0.00 N ATOM 143 NH2 ARG A 9 9.473 14.792 -17.421 1.00 0.00 N ATOM 0 H ARG A 9 5.615 10.620 -14.663 1.00 0.00 H new ATOM 0 HA ARG A 9 4.774 11.413 -12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.569 13.076 -12.294 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.095 11.458 -12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.752 12.059 -15.153 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.428 13.706 -14.647 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.736 13.416 -13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.006 12.155 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 9 8.934 15.054 -15.009 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.746 11.818 -16.428 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.223 12.374 -18.036 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.547 15.749 -17.076 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.674 14.586 -18.400 1.00 0.00 H new ATOM 157 N SER A 10 3.680 13.106 -14.625 1.00 0.00 N ATOM 158 CA SER A 10 2.769 14.176 -15.007 1.00 0.00 C ATOM 159 C SER A 10 1.470 14.042 -14.223 1.00 0.00 C ATOM 160 O SER A 10 0.828 15.036 -13.893 1.00 0.00 O ATOM 161 CB SER A 10 2.487 14.162 -16.514 1.00 0.00 C ATOM 162 OG SER A 10 3.353 15.047 -17.204 1.00 0.00 O ATOM 0 H SER A 10 3.967 12.492 -15.388 1.00 0.00 H new ATOM 0 HA SER A 10 3.241 15.130 -14.771 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.612 13.151 -16.901 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.451 14.447 -16.696 1.00 0.00 H new ATOM 0 HG SER A 10 3.053 15.140 -18.132 1.00 0.00 H new ATOM 168 N LYS A 11 1.108 12.803 -13.902 1.00 0.00 N ATOM 169 CA LYS A 11 -0.094 12.543 -13.125 1.00 0.00 C ATOM 170 C LYS A 11 0.206 12.749 -11.653 1.00 0.00 C ATOM 171 O LYS A 11 -0.401 13.582 -10.994 1.00 0.00 O ATOM 172 CB LYS A 11 -0.614 11.126 -13.376 1.00 0.00 C ATOM 173 CG LYS A 11 -0.595 10.721 -14.841 1.00 0.00 C ATOM 174 CD LYS A 11 -1.481 11.628 -15.681 1.00 0.00 C ATOM 175 CE LYS A 11 -2.829 10.984 -15.964 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.874 11.998 -16.276 1.00 0.00 N ATOM 0 H LYS A 11 1.630 11.968 -14.168 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.873 13.239 -13.435 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.011 10.420 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.634 11.051 -13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.427 10.759 -15.217 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.932 9.689 -14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.631 12.575 -15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.981 11.857 -16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.732 10.293 -16.801 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.139 10.397 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.750 11.517 -16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.057 12.579 -15.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.545 12.608 -17.052 1.00 0.00 H new ATOM 190 N PHE A 12 1.179 12.015 -11.143 1.00 0.00 N ATOM 191 CA PHE A 12 1.582 12.163 -9.758 1.00 0.00 C ATOM 192 C PHE A 12 1.834 13.639 -9.439 1.00 0.00 C ATOM 193 O PHE A 12 1.781 14.052 -8.280 1.00 0.00 O ATOM 194 CB PHE A 12 2.868 11.365 -9.521 1.00 0.00 C ATOM 195 CG PHE A 12 2.988 10.772 -8.150 1.00 0.00 C ATOM 196 CD1 PHE A 12 2.054 9.862 -7.700 1.00 0.00 C ATOM 197 CD2 PHE A 12 4.043 11.116 -7.322 1.00 0.00 C ATOM 198 CE1 PHE A 12 2.164 9.299 -6.437 1.00 0.00 C ATOM 199 CE2 PHE A 12 4.159 10.562 -6.062 1.00 0.00 C ATOM 200 CZ PHE A 12 3.219 9.653 -5.620 1.00 0.00 C ATOM 0 H PHE A 12 1.703 11.313 -11.666 1.00 0.00 H new ATOM 0 HA PHE A 12 0.788 11.790 -9.111 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.923 10.562 -10.256 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.723 12.018 -9.697 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.228 9.585 -8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.783 11.825 -7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.428 8.587 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.984 10.840 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.309 9.219 -4.635 1.00 0.00 H new ATOM 210 N GLU A 13 2.140 14.423 -10.479 1.00 0.00 N ATOM 211 CA GLU A 13 2.434 15.847 -10.306 1.00 0.00 C ATOM 212 C GLU A 13 1.258 16.765 -10.647 1.00 0.00 C ATOM 213 O GLU A 13 1.160 17.869 -10.111 1.00 0.00 O ATOM 214 CB GLU A 13 3.646 16.238 -11.154 1.00 0.00 C ATOM 215 CG GLU A 13 4.959 15.663 -10.645 1.00 0.00 C ATOM 216 CD GLU A 13 6.102 16.655 -10.736 1.00 0.00 C ATOM 217 OE1 GLU A 13 6.677 16.798 -11.836 1.00 0.00 O ATOM 218 OE2 GLU A 13 6.423 17.288 -9.708 1.00 0.00 O ATOM 0 H GLU A 13 2.190 14.096 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 13 2.644 15.986 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.485 15.902 -12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.723 17.325 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.837 15.349 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.209 14.772 -11.221 1.00 0.00 H new ATOM 225 N ASN A 14 0.400 16.348 -11.575 1.00 0.00 N ATOM 226 CA ASN A 14 -0.716 17.197 -12.000 1.00 0.00 C ATOM 227 C ASN A 14 -2.079 16.678 -11.548 1.00 0.00 C ATOM 228 O ASN A 14 -3.003 17.462 -11.334 1.00 0.00 O ATOM 229 CB ASN A 14 -0.704 17.335 -13.523 1.00 0.00 C ATOM 230 CG ASN A 14 -1.756 18.305 -14.026 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.498 19.499 -14.171 1.00 0.00 O ATOM 232 ND2 ASN A 14 -2.951 17.793 -14.294 1.00 0.00 N ATOM 0 H ASN A 14 0.451 15.443 -12.042 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.572 18.166 -11.521 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.281 17.672 -13.846 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.870 16.357 -13.975 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.700 18.396 -14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.121 16.796 -14.159 1.00 0.00 H new ATOM 239 N GLU A 15 -2.212 15.368 -11.414 1.00 0.00 N ATOM 240 CA GLU A 15 -3.483 14.778 -10.998 1.00 0.00 C ATOM 241 C GLU A 15 -3.852 15.231 -9.587 1.00 0.00 C ATOM 242 O GLU A 15 -3.002 15.288 -8.704 1.00 0.00 O ATOM 243 CB GLU A 15 -3.420 13.254 -11.073 1.00 0.00 C ATOM 244 CG GLU A 15 -3.573 12.707 -12.481 1.00 0.00 C ATOM 245 CD GLU A 15 -4.925 13.029 -13.089 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.951 12.700 -12.458 1.00 0.00 O ATOM 247 OE2 GLU A 15 -4.956 13.610 -14.194 1.00 0.00 O ATOM 0 H GLU A 15 -1.465 14.695 -11.585 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.258 15.123 -11.682 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.468 12.918 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.204 12.835 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.787 13.119 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.435 11.626 -12.464 1.00 0.00 H new ATOM 254 N GLU A 16 -5.121 15.583 -9.393 1.00 0.00 N ATOM 255 CA GLU A 16 -5.593 16.070 -8.095 1.00 0.00 C ATOM 256 C GLU A 16 -5.662 14.966 -7.041 1.00 0.00 C ATOM 257 O GLU A 16 -4.876 14.968 -6.095 1.00 0.00 O ATOM 258 CB GLU A 16 -6.956 16.760 -8.236 1.00 0.00 C ATOM 259 CG GLU A 16 -7.975 15.980 -9.051 1.00 0.00 C ATOM 260 CD GLU A 16 -8.648 16.828 -10.112 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.675 17.467 -9.800 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.148 16.854 -11.257 1.00 0.00 O ATOM 0 H GLU A 16 -5.841 15.541 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.859 16.797 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.364 16.937 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.809 17.736 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.481 15.133 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.733 15.572 -8.383 1.00 0.00 H new ATOM 269 N PHE A 17 -6.596 14.031 -7.186 1.00 0.00 N ATOM 270 CA PHE A 17 -6.731 12.952 -6.221 1.00 0.00 C ATOM 271 C PHE A 17 -5.440 12.148 -6.162 1.00 0.00 C ATOM 272 O PHE A 17 -5.044 11.658 -5.106 1.00 0.00 O ATOM 273 CB PHE A 17 -7.935 12.067 -6.588 1.00 0.00 C ATOM 274 CG PHE A 17 -7.726 10.596 -6.355 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.901 9.868 -7.191 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.356 9.947 -5.304 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.701 8.515 -6.984 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.163 8.594 -5.092 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.335 7.877 -5.934 1.00 0.00 C ATOM 0 H PHE A 17 -7.264 14.001 -7.956 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.913 13.367 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.799 12.394 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.177 12.224 -7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.407 10.361 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.004 10.504 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.050 7.958 -7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.659 8.099 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.183 6.820 -5.772 1.00 0.00 H new ATOM 289 N PHE A 18 -4.790 12.020 -7.312 1.00 0.00 N ATOM 290 CA PHE A 18 -3.550 11.285 -7.417 1.00 0.00 C ATOM 291 C PHE A 18 -2.494 11.994 -6.585 1.00 0.00 C ATOM 292 O PHE A 18 -1.631 11.357 -5.993 1.00 0.00 O ATOM 293 CB PHE A 18 -3.153 11.247 -8.886 1.00 0.00 C ATOM 294 CG PHE A 18 -2.495 9.984 -9.326 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.155 9.727 -9.107 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.259 9.051 -9.988 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.591 8.541 -9.548 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.707 7.869 -10.434 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.370 7.612 -10.214 1.00 0.00 C ATOM 0 H PHE A 18 -5.112 12.424 -8.192 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.655 10.265 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.045 11.405 -9.492 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.479 12.080 -9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.545 10.453 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.307 9.247 -10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.456 8.342 -9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.319 7.147 -10.954 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.932 6.688 -10.561 1.00 0.00 H new ATOM 309 N ARG A 19 -2.606 13.321 -6.518 1.00 0.00 N ATOM 310 CA ARG A 19 -1.695 14.130 -5.723 1.00 0.00 C ATOM 311 C ARG A 19 -2.153 14.101 -4.271 1.00 0.00 C ATOM 312 O ARG A 19 -1.435 13.625 -3.387 1.00 0.00 O ATOM 313 CB ARG A 19 -1.662 15.569 -6.235 1.00 0.00 C ATOM 314 CG ARG A 19 -0.587 15.810 -7.281 1.00 0.00 C ATOM 315 CD ARG A 19 -0.028 17.217 -7.190 1.00 0.00 C ATOM 316 NE ARG A 19 -1.080 18.216 -7.000 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.208 18.974 -5.910 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.362 18.850 -4.892 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.191 19.860 -5.835 1.00 0.00 N ATOM 0 H ARG A 19 -3.323 13.856 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.687 13.722 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.634 15.819 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.499 16.243 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.219 15.088 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.002 15.646 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.678 17.273 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.528 17.445 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.760 18.341 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.396 18.169 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.471 19.436 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.847 19.961 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.291 20.441 -5.003 1.00 0.00 H new ATOM 333 N LYS A 20 -3.379 14.577 -4.040 1.00 0.00 N ATOM 334 CA LYS A 20 -3.963 14.575 -2.700 1.00 0.00 C ATOM 335 C LYS A 20 -3.718 13.226 -2.033 1.00 0.00 C ATOM 336 O LYS A 20 -3.567 13.137 -0.814 1.00 0.00 O ATOM 337 CB LYS A 20 -5.465 14.858 -2.768 1.00 0.00 C ATOM 338 CG LYS A 20 -5.804 16.252 -3.277 1.00 0.00 C ATOM 339 CD LYS A 20 -6.861 16.208 -4.373 1.00 0.00 C ATOM 340 CE LYS A 20 -8.033 17.125 -4.061 1.00 0.00 C ATOM 341 NZ LYS A 20 -7.582 18.477 -3.630 1.00 0.00 N ATOM 0 H LYS A 20 -3.984 14.967 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.489 15.360 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.936 14.120 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.895 14.729 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.162 16.865 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.902 16.729 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.413 16.500 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.220 15.186 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.666 17.218 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.644 16.679 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.258 19.192 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.530 18.511 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.643 18.674 -4.031 1.00 0.00 H new ATOM 355 N LEU A 21 -3.655 12.182 -2.856 1.00 0.00 N ATOM 356 CA LEU A 21 -3.398 10.837 -2.370 1.00 0.00 C ATOM 357 C LEU A 21 -1.896 10.581 -2.347 1.00 0.00 C ATOM 358 O LEU A 21 -1.372 9.989 -1.404 1.00 0.00 O ATOM 359 CB LEU A 21 -4.099 9.801 -3.251 1.00 0.00 C ATOM 360 CG LEU A 21 -5.633 9.764 -3.157 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.108 8.401 -2.679 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.165 10.863 -2.243 1.00 0.00 C ATOM 0 H LEU A 21 -3.780 12.247 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.794 10.746 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.823 9.989 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.715 8.814 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.028 9.942 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.196 8.395 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.779 7.634 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.689 8.195 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.253 10.806 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.756 10.733 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.867 11.836 -2.633 1.00 0.00 H new ATOM 374 N SER A 22 -1.204 11.059 -3.390 1.00 0.00 N ATOM 375 CA SER A 22 0.253 10.909 -3.496 1.00 0.00 C ATOM 376 C SER A 22 0.954 11.333 -2.212 1.00 0.00 C ATOM 377 O SER A 22 2.112 10.985 -1.982 1.00 0.00 O ATOM 378 CB SER A 22 0.802 11.747 -4.650 1.00 0.00 C ATOM 379 OG SER A 22 0.763 13.129 -4.339 1.00 0.00 O ATOM 0 H SER A 22 -1.631 11.554 -4.173 1.00 0.00 H new ATOM 0 HA SER A 22 0.449 9.852 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.828 11.448 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.219 11.557 -5.551 1.00 0.00 H new ATOM 0 HG SER A 22 -0.015 13.315 -3.773 1.00 0.00 H new ATOM 385 N ARG A 23 0.255 12.105 -1.393 1.00 0.00 N ATOM 386 CA ARG A 23 0.820 12.600 -0.149 1.00 0.00 C ATOM 387 C ARG A 23 0.387 11.734 1.031 1.00 0.00 C ATOM 388 O ARG A 23 -0.160 10.645 0.846 1.00 0.00 O ATOM 389 CB ARG A 23 0.379 14.047 0.071 1.00 0.00 C ATOM 390 CG ARG A 23 0.316 14.863 -1.213 1.00 0.00 C ATOM 391 CD ARG A 23 1.673 15.451 -1.567 1.00 0.00 C ATOM 392 NE ARG A 23 1.556 16.797 -2.122 1.00 0.00 N ATOM 393 CZ ARG A 23 1.380 17.891 -1.385 1.00 0.00 C ATOM 394 NH1 ARG A 23 1.306 17.805 -0.063 1.00 0.00 N ATOM 395 NH2 ARG A 23 1.279 19.076 -1.972 1.00 0.00 N ATOM 0 H ARG A 23 -0.705 12.402 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 23 1.907 12.556 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.603 14.052 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.069 14.528 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.032 14.231 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.411 15.667 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.300 15.479 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.172 14.803 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 23 1.613 16.905 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.384 16.897 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.171 18.647 0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.336 19.148 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.144 19.915 -1.408 1.00 0.00 H new ATOM 409 N GLU A 24 0.663 12.210 2.242 1.00 0.00 N ATOM 410 CA GLU A 24 0.327 11.464 3.452 1.00 0.00 C ATOM 411 C GLU A 24 -0.899 12.038 4.152 1.00 0.00 C ATOM 412 O GLU A 24 -1.004 13.247 4.360 1.00 0.00 O ATOM 413 CB GLU A 24 1.512 11.455 4.424 1.00 0.00 C ATOM 414 CG GLU A 24 2.871 11.564 3.747 1.00 0.00 C ATOM 415 CD GLU A 24 4.001 11.767 4.736 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.810 11.451 5.929 1.00 0.00 O ATOM 417 OE2 GLU A 24 5.079 12.240 4.318 1.00 0.00 O ATOM 0 H GLU A 24 1.118 13.107 2.412 1.00 0.00 H new ATOM 0 HA GLU A 24 0.097 10.444 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.400 12.282 5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.482 10.536 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.058 10.659 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.856 12.396 3.043 1.00 0.00 H new ATOM 424 N CYS A 25 -1.817 11.152 4.528 1.00 0.00 N ATOM 425 CA CYS A 25 -3.035 11.549 5.224 1.00 0.00 C ATOM 426 C CYS A 25 -3.519 10.436 6.143 1.00 0.00 C ATOM 427 O CYS A 25 -2.965 9.337 6.154 1.00 0.00 O ATOM 428 CB CYS A 25 -4.134 11.950 4.237 1.00 0.00 C ATOM 429 SG CYS A 25 -4.057 11.103 2.641 1.00 0.00 S ATOM 0 H CYS A 25 -1.739 10.149 4.361 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.799 12.421 5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.104 11.751 4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.076 13.025 4.066 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.021 10.234 2.564 1.00 0.00 H new ATOM 435 N GLU A 26 -4.543 10.741 6.928 1.00 0.00 N ATOM 436 CA GLU A 26 -5.095 9.783 7.875 1.00 0.00 C ATOM 437 C GLU A 26 -5.805 8.624 7.180 1.00 0.00 C ATOM 438 O GLU A 26 -6.583 8.816 6.243 1.00 0.00 O ATOM 439 CB GLU A 26 -6.065 10.486 8.826 1.00 0.00 C ATOM 440 CG GLU A 26 -5.424 11.608 9.626 1.00 0.00 C ATOM 441 CD GLU A 26 -6.418 12.336 10.510 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.317 13.009 9.961 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.298 12.233 11.749 1.00 0.00 O ATOM 0 H GLU A 26 -5.010 11.648 6.927 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.259 9.367 8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.897 10.891 8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.482 9.752 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.626 11.198 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.963 12.320 8.941 1.00 0.00 H new ATOM 450 N ILE A 27 -5.542 7.420 7.670 1.00 0.00 N ATOM 451 CA ILE A 27 -6.165 6.216 7.135 1.00 0.00 C ATOM 452 C ILE A 27 -6.865 5.445 8.250 1.00 0.00 C ATOM 453 O ILE A 27 -6.530 5.598 9.424 1.00 0.00 O ATOM 454 CB ILE A 27 -5.145 5.291 6.432 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.117 4.746 7.430 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.450 6.038 5.304 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.378 3.522 6.928 1.00 0.00 C ATOM 0 H ILE A 27 -4.897 7.250 8.442 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.893 6.537 6.390 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.685 4.443 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.394 5.529 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.624 4.498 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.734 5.376 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.191 6.370 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.926 6.904 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.667 3.190 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.092 2.723 6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.843 3.771 6.012 1.00 0.00 H new ATOM 469 N LYS A 28 -7.839 4.622 7.883 1.00 0.00 N ATOM 470 CA LYS A 28 -8.582 3.836 8.864 1.00 0.00 C ATOM 471 C LYS A 28 -8.964 2.481 8.288 1.00 0.00 C ATOM 472 O LYS A 28 -9.013 2.309 7.071 1.00 0.00 O ATOM 473 CB LYS A 28 -9.838 4.589 9.307 1.00 0.00 C ATOM 474 CG LYS A 28 -9.551 5.749 10.247 1.00 0.00 C ATOM 475 CD LYS A 28 -10.817 6.234 10.934 1.00 0.00 C ATOM 476 CE LYS A 28 -11.398 7.452 10.234 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.520 8.055 11.006 1.00 0.00 N ATOM 0 H LYS A 28 -8.133 4.480 6.917 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.940 3.677 9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.356 4.966 8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.515 3.891 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.824 5.439 10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.102 6.570 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.556 5.433 10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.597 6.480 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.615 8.196 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.751 7.167 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.888 8.882 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.279 7.353 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.178 8.351 11.942 1.00 0.00 H new ATOM 491 N TYR A 29 -9.227 1.514 9.161 1.00 0.00 N ATOM 492 CA TYR A 29 -9.593 0.178 8.710 1.00 0.00 C ATOM 493 C TYR A 29 -11.080 0.075 8.390 1.00 0.00 C ATOM 494 O TYR A 29 -11.931 0.385 9.222 1.00 0.00 O ATOM 495 CB TYR A 29 -9.211 -0.859 9.757 1.00 0.00 C ATOM 496 CG TYR A 29 -8.654 -2.122 9.151 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.308 -2.221 8.829 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.476 -3.209 8.892 1.00 0.00 C ATOM 499 CE1 TYR A 29 -6.795 -3.370 8.262 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.969 -4.364 8.328 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.629 -4.438 8.014 1.00 0.00 C ATOM 502 OH TYR A 29 -7.120 -5.586 7.452 1.00 0.00 O ATOM 0 H TYR A 29 -9.194 1.629 10.174 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.041 -0.018 7.791 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.473 -0.430 10.434 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.088 -1.105 10.356 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.652 -1.386 9.025 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.527 -3.152 9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.746 -3.431 8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.619 -5.204 8.134 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.857 -6.166 7.168 1.00 0.00 H new ATOM 512 N THR A 30 -11.382 -0.377 7.173 1.00 0.00 N ATOM 513 CA THR A 30 -12.764 -0.538 6.729 1.00 0.00 C ATOM 514 C THR A 30 -12.857 -1.567 5.604 1.00 0.00 C ATOM 515 O THR A 30 -13.753 -1.498 4.762 1.00 0.00 O ATOM 516 CB THR A 30 -13.342 0.800 6.256 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.948 1.073 4.924 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.923 1.980 7.109 1.00 0.00 C ATOM 0 H THR A 30 -10.685 -0.639 6.476 1.00 0.00 H new ATOM 0 HA THR A 30 -13.347 -0.893 7.579 1.00 0.00 H new ATOM 0 HB THR A 30 -14.423 0.686 6.336 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.233 1.978 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.370 2.892 6.714 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.260 1.826 8.134 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.837 2.073 7.094 1.00 0.00 H new ATOM 526 N GLY A 31 -11.928 -2.519 5.594 1.00 0.00 N ATOM 527 CA GLY A 31 -11.926 -3.546 4.565 1.00 0.00 C ATOM 528 C GLY A 31 -12.928 -4.648 4.843 1.00 0.00 C ATOM 529 O GLY A 31 -13.870 -4.849 4.077 1.00 0.00 O ATOM 0 H GLY A 31 -11.177 -2.598 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.151 -3.090 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.928 -3.978 4.489 1.00 0.00 H new ATOM 533 N PHE A 32 -12.732 -5.357 5.950 1.00 0.00 N ATOM 534 CA PHE A 32 -13.630 -6.439 6.342 1.00 0.00 C ATOM 535 C PHE A 32 -13.947 -6.341 7.825 1.00 0.00 C ATOM 536 O PHE A 32 -14.258 -7.339 8.474 1.00 0.00 O ATOM 537 CB PHE A 32 -13.013 -7.810 6.033 1.00 0.00 C ATOM 538 CG PHE A 32 -11.509 -7.816 5.977 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.753 -8.021 7.124 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.854 -7.619 4.773 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.371 -8.030 7.064 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.475 -7.628 4.709 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.733 -7.832 5.855 1.00 0.00 C ATOM 0 H PHE A 32 -11.956 -5.201 6.594 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.550 -6.339 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.339 -8.521 6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.402 -8.163 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.249 -8.175 8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.429 -7.456 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.792 -8.192 7.961 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.977 -7.476 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.654 -7.837 5.806 1.00 0.00 H new ATOM 553 N ARG A 33 -13.848 -5.128 8.356 1.00 0.00 N ATOM 554 CA ARG A 33 -14.101 -4.877 9.762 1.00 0.00 C ATOM 555 C ARG A 33 -15.563 -4.573 10.033 1.00 0.00 C ATOM 556 O ARG A 33 -15.992 -4.521 11.186 1.00 0.00 O ATOM 557 CB ARG A 33 -13.241 -3.717 10.231 1.00 0.00 C ATOM 558 CG ARG A 33 -13.541 -2.405 9.522 1.00 0.00 C ATOM 559 CD ARG A 33 -14.621 -1.615 10.241 1.00 0.00 C ATOM 560 NE ARG A 33 -14.992 -0.402 9.515 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.441 0.708 10.097 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.594 0.764 11.414 1.00 0.00 N ATOM 563 NH2 ARG A 33 -15.745 1.764 9.356 1.00 0.00 N ATOM 0 H ARG A 33 -13.591 -4.297 7.823 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.847 -5.782 10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.384 -3.581 11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.192 -3.970 10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.632 -1.807 9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.858 -2.608 8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.503 -2.243 10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.270 -1.347 11.238 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.901 -0.406 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.367 -0.047 11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.939 1.619 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.635 1.725 8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.089 2.616 9.799 1.00 0.00 H new ATOM 577 N ASP A 34 -16.325 -4.365 8.973 1.00 0.00 N ATOM 578 CA ASP A 34 -17.745 -4.059 9.105 1.00 0.00 C ATOM 579 C ASP A 34 -18.451 -5.071 10.008 1.00 0.00 C ATOM 580 O ASP A 34 -19.578 -4.842 10.444 1.00 0.00 O ATOM 581 CB ASP A 34 -18.411 -4.037 7.727 1.00 0.00 C ATOM 582 CG ASP A 34 -18.336 -2.672 7.070 1.00 0.00 C ATOM 583 OD1 ASP A 34 -17.318 -1.976 7.263 1.00 0.00 O ATOM 584 OD2 ASP A 34 -19.296 -2.301 6.362 1.00 0.00 O ATOM 0 H ASP A 34 -15.988 -4.402 8.011 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.833 -3.075 9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.931 -4.774 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.455 -4.332 7.827 1.00 0.00 H new ATOM 589 N ARG A 35 -17.780 -6.187 10.299 1.00 0.00 N ATOM 590 CA ARG A 35 -18.349 -7.213 11.159 1.00 0.00 C ATOM 591 C ARG A 35 -17.443 -7.464 12.371 1.00 0.00 C ATOM 592 O ARG A 35 -17.851 -7.220 13.507 1.00 0.00 O ATOM 593 CB ARG A 35 -18.606 -8.511 10.376 1.00 0.00 C ATOM 594 CG ARG A 35 -18.836 -8.307 8.879 1.00 0.00 C ATOM 595 CD ARG A 35 -17.590 -7.803 8.153 1.00 0.00 C ATOM 596 NE ARG A 35 -17.326 -8.559 6.930 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.952 -9.836 6.913 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.783 -10.502 8.049 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.744 -10.448 5.756 1.00 0.00 N ATOM 0 H ARG A 35 -16.845 -6.398 9.950 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.311 -6.856 11.526 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.756 -9.179 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.476 -9.011 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.155 -9.249 8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.648 -7.595 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.715 -6.748 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.729 -7.876 8.817 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.435 -8.079 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.940 -10.035 8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.496 -11.481 8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.871 -9.940 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.457 -11.427 5.741 1.00 0.00 H new ATOM 613 N PRO A 36 -16.200 -7.955 12.164 1.00 0.00 N ATOM 614 CA PRO A 36 -15.259 -8.231 13.231 1.00 0.00 C ATOM 615 C PRO A 36 -14.145 -7.186 13.303 1.00 0.00 C ATOM 616 O PRO A 36 -13.022 -7.444 12.877 1.00 0.00 O ATOM 617 CB PRO A 36 -14.690 -9.560 12.757 1.00 0.00 C ATOM 618 CG PRO A 36 -14.610 -9.407 11.265 1.00 0.00 C ATOM 619 CD PRO A 36 -15.581 -8.304 10.880 1.00 0.00 C ATOM 0 HA PRO A 36 -15.709 -8.231 14.224 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.709 -9.753 13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.333 -10.393 13.039 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.596 -9.153 10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.870 -10.341 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.069 -7.452 10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.319 -8.649 10.155 1.00 0.00 H new ATOM 627 N HIS A 37 -14.456 -6.007 13.829 1.00 0.00 N ATOM 628 CA HIS A 37 -13.465 -4.939 13.934 1.00 0.00 C ATOM 629 C HIS A 37 -12.378 -5.301 14.947 1.00 0.00 C ATOM 630 O HIS A 37 -11.200 -5.426 14.600 1.00 0.00 O ATOM 631 CB HIS A 37 -14.150 -3.628 14.328 1.00 0.00 C ATOM 632 CG HIS A 37 -13.280 -2.414 14.191 1.00 0.00 C ATOM 633 ND1 HIS A 37 -13.086 -1.518 15.222 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.555 -1.940 13.143 1.00 0.00 C ATOM 635 CE1 HIS A 37 -12.285 -0.549 14.817 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.950 -0.782 13.562 1.00 0.00 N ATOM 0 H HIS A 37 -15.380 -5.766 14.188 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.989 -4.811 12.962 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -15.039 -3.496 13.711 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.488 -3.704 15.361 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.497 -1.592 16.152 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.471 -2.390 12.165 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.959 0.291 15.412 1.00 0.00 H new ATOM 645 N GLU A 38 -12.778 -5.477 16.201 1.00 0.00 N ATOM 646 CA GLU A 38 -11.834 -5.831 17.256 1.00 0.00 C ATOM 647 C GLU A 38 -11.061 -7.096 16.892 1.00 0.00 C ATOM 648 O GLU A 38 -9.930 -7.292 17.337 1.00 0.00 O ATOM 649 CB GLU A 38 -12.568 -6.025 18.586 1.00 0.00 C ATOM 650 CG GLU A 38 -12.348 -4.890 19.572 1.00 0.00 C ATOM 651 CD GLU A 38 -13.619 -4.491 20.297 1.00 0.00 C ATOM 652 OE1 GLU A 38 -14.699 -4.542 19.672 1.00 0.00 O ATOM 653 OE2 GLU A 38 -13.534 -4.128 21.489 1.00 0.00 O ATOM 0 H GLU A 38 -13.745 -5.381 16.512 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.122 -5.012 17.363 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.636 -6.124 18.391 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.239 -6.959 19.041 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.596 -5.189 20.303 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.950 -4.025 19.041 1.00 0.00 H new ATOM 660 N GLU A 39 -11.661 -7.935 16.054 1.00 0.00 N ATOM 661 CA GLU A 39 -11.007 -9.156 15.605 1.00 0.00 C ATOM 662 C GLU A 39 -10.148 -8.816 14.410 1.00 0.00 C ATOM 663 O GLU A 39 -9.033 -9.314 14.250 1.00 0.00 O ATOM 664 CB GLU A 39 -12.032 -10.230 15.237 1.00 0.00 C ATOM 665 CG GLU A 39 -11.639 -11.626 15.694 1.00 0.00 C ATOM 666 CD GLU A 39 -12.473 -12.111 16.864 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.682 -12.352 16.670 1.00 0.00 O ATOM 668 OE2 GLU A 39 -11.916 -12.247 17.973 1.00 0.00 O ATOM 0 H GLU A 39 -12.596 -7.791 15.674 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.394 -9.559 16.411 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.994 -9.969 15.678 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.168 -10.235 14.156 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.748 -12.321 14.862 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.586 -11.629 15.976 1.00 0.00 H new ATOM 675 N ARG A 40 -10.687 -7.925 13.585 1.00 0.00 N ATOM 676 CA ARG A 40 -10.004 -7.448 12.403 1.00 0.00 C ATOM 677 C ARG A 40 -8.616 -6.946 12.780 1.00 0.00 C ATOM 678 O ARG A 40 -7.699 -6.954 11.960 1.00 0.00 O ATOM 679 CB ARG A 40 -10.829 -6.338 11.754 1.00 0.00 C ATOM 680 CG ARG A 40 -10.014 -5.382 10.897 1.00 0.00 C ATOM 681 CD ARG A 40 -9.477 -4.221 11.717 1.00 0.00 C ATOM 682 NE ARG A 40 -8.015 -4.198 11.747 1.00 0.00 N ATOM 683 CZ ARG A 40 -7.291 -3.093 11.913 1.00 0.00 C ATOM 684 NH1 ARG A 40 -7.884 -1.915 12.021 1.00 0.00 N ATOM 685 NH2 ARG A 40 -5.972 -3.166 11.974 1.00 0.00 N ATOM 0 H ARG A 40 -11.611 -7.517 13.723 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.891 -8.261 11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.606 -6.790 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.333 -5.769 12.536 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.184 -5.920 10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.634 -5.000 10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.845 -3.283 11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.859 -4.290 12.736 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.520 -5.082 11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.901 -1.850 11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.324 -1.072 12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.507 -4.070 11.894 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.420 -2.318 12.101 1.00 0.00 H new ATOM 699 N GLN A 41 -8.465 -6.525 14.036 1.00 0.00 N ATOM 700 CA GLN A 41 -7.175 -6.043 14.517 1.00 0.00 C ATOM 701 C GLN A 41 -6.124 -7.126 14.303 1.00 0.00 C ATOM 702 O GLN A 41 -5.034 -6.867 13.792 1.00 0.00 O ATOM 703 CB GLN A 41 -7.258 -5.641 15.997 1.00 0.00 C ATOM 704 CG GLN A 41 -7.047 -6.790 16.972 1.00 0.00 C ATOM 705 CD GLN A 41 -7.188 -6.359 18.419 1.00 0.00 C ATOM 706 OE1 GLN A 41 -6.831 -5.239 18.784 1.00 0.00 O ATOM 707 NE2 GLN A 41 -7.712 -7.250 19.253 1.00 0.00 N ATOM 0 H GLN A 41 -9.212 -6.509 14.730 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.891 -5.154 13.954 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.512 -4.871 16.194 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.234 -5.195 16.186 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.768 -7.579 16.760 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.055 -7.215 16.818 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.995 -8.167 18.908 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.832 -7.017 20.239 1.00 0.00 H new ATOM 716 N THR A 42 -6.487 -8.352 14.669 1.00 0.00 N ATOM 717 CA THR A 42 -5.609 -9.497 14.491 1.00 0.00 C ATOM 718 C THR A 42 -5.713 -9.992 13.058 1.00 0.00 C ATOM 719 O THR A 42 -4.743 -10.494 12.493 1.00 0.00 O ATOM 720 CB THR A 42 -5.976 -10.615 15.467 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.882 -10.163 16.807 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.098 -11.840 15.335 1.00 0.00 C ATOM 0 H THR A 42 -7.388 -8.575 15.092 1.00 0.00 H new ATOM 0 HA THR A 42 -4.582 -9.194 14.696 1.00 0.00 H new ATOM 0 HB THR A 42 -6.999 -10.893 15.213 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.122 -10.892 17.416 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.414 -12.593 16.057 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.186 -12.244 14.327 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.060 -11.566 15.526 1.00 0.00 H new ATOM 730 N ARG A 43 -6.893 -9.823 12.464 1.00 0.00 N ATOM 731 CA ARG A 43 -7.102 -10.231 11.084 1.00 0.00 C ATOM 732 C ARG A 43 -6.186 -9.427 10.171 1.00 0.00 C ATOM 733 O ARG A 43 -5.692 -9.932 9.163 1.00 0.00 O ATOM 734 CB ARG A 43 -8.565 -10.036 10.690 1.00 0.00 C ATOM 735 CG ARG A 43 -9.235 -11.315 10.223 1.00 0.00 C ATOM 736 CD ARG A 43 -10.599 -11.496 10.868 1.00 0.00 C ATOM 737 NE ARG A 43 -11.035 -12.891 10.843 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.587 -13.476 9.782 1.00 0.00 C ATOM 739 NH1 ARG A 43 -11.769 -12.793 8.658 1.00 0.00 N ATOM 740 NH2 ARG A 43 -11.955 -14.747 9.845 1.00 0.00 N ATOM 0 H ARG A 43 -7.709 -9.410 12.915 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.862 -11.289 10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.114 -9.637 11.543 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.624 -9.292 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.344 -11.295 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.601 -12.168 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.562 -11.146 11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.331 -10.878 10.348 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.909 -13.449 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.485 -11.815 8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.192 -13.247 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.815 -15.276 10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.378 -15.196 9.033 1.00 0.00 H new ATOM 754 N PHE A 44 -5.941 -8.176 10.555 1.00 0.00 N ATOM 755 CA PHE A 44 -5.064 -7.304 9.800 1.00 0.00 C ATOM 756 C PHE A 44 -3.612 -7.714 10.040 1.00 0.00 C ATOM 757 O PHE A 44 -2.875 -8.013 9.101 1.00 0.00 O ATOM 758 CB PHE A 44 -5.296 -5.851 10.214 1.00 0.00 C ATOM 759 CG PHE A 44 -4.055 -5.017 10.185 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.617 -4.443 9.006 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.331 -4.818 11.340 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.469 -3.680 8.980 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.182 -4.056 11.327 1.00 0.00 C ATOM 764 CZ PHE A 44 -1.748 -3.483 10.144 1.00 0.00 C ATOM 0 H PHE A 44 -6.343 -7.748 11.389 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.281 -7.394 8.736 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.038 -5.407 9.551 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.715 -5.831 11.220 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.180 -4.594 8.097 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.667 -5.263 12.265 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.134 -3.237 8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.622 -3.906 12.238 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.849 -2.884 10.130 1.00 0.00 H new ATOM 774 N GLN A 45 -3.218 -7.744 11.314 1.00 0.00 N ATOM 775 CA GLN A 45 -1.864 -8.140 11.686 1.00 0.00 C ATOM 776 C GLN A 45 -1.569 -9.546 11.171 1.00 0.00 C ATOM 777 O GLN A 45 -0.424 -9.888 10.877 1.00 0.00 O ATOM 778 CB GLN A 45 -1.696 -8.090 13.207 1.00 0.00 C ATOM 779 CG GLN A 45 -0.408 -7.418 13.655 1.00 0.00 C ATOM 780 CD GLN A 45 0.127 -7.990 14.952 1.00 0.00 C ATOM 781 OE1 GLN A 45 -0.025 -9.180 15.230 1.00 0.00 O ATOM 782 NE2 GLN A 45 0.760 -7.144 15.755 1.00 0.00 N ATOM 0 H GLN A 45 -3.818 -7.499 12.102 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.158 -7.443 11.233 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.543 -7.558 13.640 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.722 -9.106 13.601 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.346 -7.529 12.875 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.584 -6.349 13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.864 -6.166 15.486 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.143 -7.472 16.642 1.00 0.00 H new ATOM 791 N ASN A 46 -2.625 -10.342 11.043 1.00 0.00 N ATOM 792 CA ASN A 46 -2.513 -11.703 10.535 1.00 0.00 C ATOM 793 C ASN A 46 -2.442 -11.670 9.016 1.00 0.00 C ATOM 794 O ASN A 46 -1.845 -12.541 8.384 1.00 0.00 O ATOM 795 CB ASN A 46 -3.704 -12.548 10.991 1.00 0.00 C ATOM 796 CG ASN A 46 -3.543 -14.014 10.637 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.253 -14.843 11.499 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.731 -14.340 9.364 1.00 0.00 N ATOM 0 H ASN A 46 -3.576 -10.064 11.287 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.604 -12.156 10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.824 -12.449 12.070 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.615 -12.164 10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.636 -15.311 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.970 -13.619 8.683 1.00 0.00 H new ATOM 805 N ALA A 47 -3.032 -10.627 8.443 1.00 0.00 N ATOM 806 CA ALA A 47 -3.018 -10.429 7.008 1.00 0.00 C ATOM 807 C ALA A 47 -1.611 -10.050 6.587 1.00 0.00 C ATOM 808 O ALA A 47 -1.157 -10.393 5.496 1.00 0.00 O ATOM 809 CB ALA A 47 -4.014 -9.350 6.606 1.00 0.00 C ATOM 0 H ALA A 47 -3.529 -9.902 8.961 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.313 -11.350 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.989 -9.216 5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.017 -9.649 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.751 -8.412 7.094 1.00 0.00 H new ATOM 815 N CYS A 48 -0.908 -9.373 7.494 1.00 0.00 N ATOM 816 CA CYS A 48 0.473 -8.986 7.247 1.00 0.00 C ATOM 817 C CYS A 48 1.325 -10.240 7.150 1.00 0.00 C ATOM 818 O CYS A 48 2.405 -10.229 6.560 1.00 0.00 O ATOM 819 CB CYS A 48 0.989 -8.074 8.363 1.00 0.00 C ATOM 820 SG CYS A 48 0.950 -6.314 7.953 1.00 0.00 S ATOM 0 H CYS A 48 -1.273 -9.084 8.401 1.00 0.00 H new ATOM 0 HA CYS A 48 0.530 -8.430 6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.392 -8.241 9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.013 -8.357 8.605 1.00 0.00 H new ATOM 0 HG CYS A 48 1.403 -5.624 8.958 1.00 0.00 H new ATOM 826 N ARG A 49 0.812 -11.334 7.713 1.00 0.00 N ATOM 827 CA ARG A 49 1.516 -12.607 7.661 1.00 0.00 C ATOM 828 C ARG A 49 1.461 -13.159 6.237 1.00 0.00 C ATOM 829 O ARG A 49 2.334 -13.915 5.814 1.00 0.00 O ATOM 830 CB ARG A 49 0.915 -13.598 8.676 1.00 0.00 C ATOM 831 CG ARG A 49 0.405 -14.900 8.073 1.00 0.00 C ATOM 832 CD ARG A 49 0.081 -15.920 9.152 1.00 0.00 C ATOM 833 NE ARG A 49 -0.862 -16.932 8.685 1.00 0.00 N ATOM 834 CZ ARG A 49 -1.475 -17.800 9.487 1.00 0.00 C ATOM 835 NH1 ARG A 49 -1.249 -17.779 10.795 1.00 0.00 N ATOM 836 NH2 ARG A 49 -2.317 -18.690 8.981 1.00 0.00 N ATOM 0 H ARG A 49 -0.081 -11.361 8.205 1.00 0.00 H new ATOM 0 HA ARG A 49 2.561 -12.458 7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.672 -13.833 9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.092 -13.108 9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.486 -14.703 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.156 -15.309 7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.000 -16.405 9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.336 -15.409 10.020 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.063 -16.977 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.603 -17.096 11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.721 -18.446 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.495 -18.710 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.786 -19.355 9.596 1.00 0.00 H new ATOM 850 N ASP A 50 0.429 -12.750 5.499 1.00 0.00 N ATOM 851 CA ASP A 50 0.253 -13.173 4.116 1.00 0.00 C ATOM 852 C ASP A 50 0.580 -12.025 3.159 1.00 0.00 C ATOM 853 O ASP A 50 0.290 -12.098 1.966 1.00 0.00 O ATOM 854 CB ASP A 50 -1.180 -13.656 3.886 1.00 0.00 C ATOM 855 CG ASP A 50 -1.347 -15.133 4.185 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.334 -15.863 4.158 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.491 -15.560 4.447 1.00 0.00 O ATOM 0 H ASP A 50 -0.299 -12.123 5.841 1.00 0.00 H new ATOM 0 HA ASP A 50 0.938 -13.998 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.860 -13.082 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.464 -13.463 2.851 1.00 0.00 H new ATOM 862 N GLY A 51 1.195 -10.970 3.692 1.00 0.00 N ATOM 863 CA GLY A 51 1.565 -9.823 2.880 1.00 0.00 C ATOM 864 C GLY A 51 0.397 -9.214 2.129 1.00 0.00 C ATOM 865 O GLY A 51 0.567 -8.714 1.022 1.00 0.00 O ATOM 0 H GLY A 51 1.444 -10.890 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.011 -9.063 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.329 -10.125 2.164 1.00 0.00 H new ATOM 869 N ARG A 52 -0.785 -9.250 2.730 1.00 0.00 N ATOM 870 CA ARG A 52 -1.975 -8.688 2.106 1.00 0.00 C ATOM 871 C ARG A 52 -2.975 -8.188 3.135 1.00 0.00 C ATOM 872 O ARG A 52 -3.371 -8.918 4.042 1.00 0.00 O ATOM 873 CB ARG A 52 -2.640 -9.722 1.211 1.00 0.00 C ATOM 874 CG ARG A 52 -2.002 -9.792 -0.154 1.00 0.00 C ATOM 875 CD ARG A 52 -1.489 -11.188 -0.460 1.00 0.00 C ATOM 876 NE ARG A 52 -2.453 -11.971 -1.228 1.00 0.00 N ATOM 877 CZ ARG A 52 -2.390 -13.294 -1.368 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.409 -13.982 -0.797 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.310 -13.930 -2.082 1.00 0.00 N ATOM 0 H ARG A 52 -0.945 -9.663 3.649 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.653 -7.836 1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.584 -10.701 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.697 -9.480 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.728 -9.496 -0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.178 -9.081 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.555 -11.117 -1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.265 -11.704 0.473 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.219 -11.476 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.699 -13.498 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.365 -14.995 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.065 -13.406 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.262 -14.943 -2.189 1.00 0.00 H new ATOM 893 N SER A 53 -3.395 -6.944 2.966 1.00 0.00 N ATOM 894 CA SER A 53 -4.373 -6.335 3.862 1.00 0.00 C ATOM 895 C SER A 53 -5.302 -5.387 3.106 1.00 0.00 C ATOM 896 O SER A 53 -5.033 -5.004 1.964 1.00 0.00 O ATOM 897 CB SER A 53 -3.685 -5.606 5.019 1.00 0.00 C ATOM 898 OG SER A 53 -3.766 -4.197 4.870 1.00 0.00 O ATOM 0 H SER A 53 -3.074 -6.333 2.215 1.00 0.00 H new ATOM 0 HA SER A 53 -4.978 -7.139 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.147 -5.900 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.639 -5.908 5.069 1.00 0.00 H new ATOM 0 HG SER A 53 -3.319 -3.762 5.626 1.00 0.00 H new ATOM 904 N GLU A 54 -6.387 -5.004 3.766 1.00 0.00 N ATOM 905 CA GLU A 54 -7.361 -4.088 3.187 1.00 0.00 C ATOM 906 C GLU A 54 -7.516 -2.864 4.083 1.00 0.00 C ATOM 907 O GLU A 54 -8.120 -2.942 5.154 1.00 0.00 O ATOM 908 CB GLU A 54 -8.710 -4.785 3.008 1.00 0.00 C ATOM 909 CG GLU A 54 -9.625 -4.095 2.009 1.00 0.00 C ATOM 910 CD GLU A 54 -10.329 -5.073 1.090 1.00 0.00 C ATOM 911 OE1 GLU A 54 -9.663 -6.008 0.597 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.545 -4.905 0.862 1.00 0.00 O ATOM 0 H GLU A 54 -6.616 -5.316 4.710 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.005 -3.770 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.539 -5.811 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.213 -4.837 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.369 -3.509 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.041 -3.396 1.410 1.00 0.00 H new ATOM 919 N ILE A 55 -6.952 -1.741 3.654 1.00 0.00 N ATOM 920 CA ILE A 55 -7.016 -0.513 4.436 1.00 0.00 C ATOM 921 C ILE A 55 -7.902 0.533 3.770 1.00 0.00 C ATOM 922 O ILE A 55 -8.019 0.578 2.545 1.00 0.00 O ATOM 923 CB ILE A 55 -5.610 0.085 4.652 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.593 -1.022 4.943 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.633 1.096 5.788 1.00 0.00 C ATOM 926 CD1 ILE A 55 -3.720 -1.370 3.757 1.00 0.00 C ATOM 0 H ILE A 55 -6.447 -1.656 2.772 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.448 -0.780 5.400 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.309 0.596 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.958 -0.711 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.125 -1.917 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.634 1.509 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.327 1.900 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.954 0.604 6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.024 -2.161 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.346 -1.712 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.160 -0.488 3.446 1.00 0.00 H new ATOM 938 N ALA A 56 -8.518 1.377 4.590 1.00 0.00 N ATOM 939 CA ALA A 56 -9.392 2.433 4.095 1.00 0.00 C ATOM 940 C ALA A 56 -8.665 3.772 4.084 1.00 0.00 C ATOM 941 O ALA A 56 -7.720 3.982 4.843 1.00 0.00 O ATOM 942 CB ALA A 56 -10.653 2.521 4.940 1.00 0.00 C ATOM 0 H ALA A 56 -8.427 1.350 5.606 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.677 2.189 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.294 3.315 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.186 1.571 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.384 2.740 5.973 1.00 0.00 H new ATOM 948 N PHE A 57 -9.103 4.671 3.211 1.00 0.00 N ATOM 949 CA PHE A 57 -8.482 5.984 3.097 1.00 0.00 C ATOM 950 C PHE A 57 -9.425 7.056 3.650 1.00 0.00 C ATOM 951 O PHE A 57 -10.561 7.176 3.198 1.00 0.00 O ATOM 952 CB PHE A 57 -8.179 6.259 1.624 1.00 0.00 C ATOM 953 CG PHE A 57 -6.960 7.100 1.388 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.699 6.536 1.489 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.069 8.436 1.046 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.567 7.289 1.256 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.940 9.196 0.809 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.687 8.622 0.914 1.00 0.00 C ATOM 0 H PHE A 57 -9.884 4.515 2.573 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.556 6.007 3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.054 5.307 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.040 6.755 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.601 5.494 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.046 8.889 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.590 6.838 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.036 10.238 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.803 9.215 0.729 1.00 0.00 H new ATOM 968 N VAL A 58 -8.961 7.825 4.635 1.00 0.00 N ATOM 969 CA VAL A 58 -9.794 8.867 5.236 1.00 0.00 C ATOM 970 C VAL A 58 -9.875 10.110 4.356 1.00 0.00 C ATOM 971 O VAL A 58 -10.924 10.747 4.261 1.00 0.00 O ATOM 972 CB VAL A 58 -9.285 9.278 6.632 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.319 10.141 7.339 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.946 8.052 7.468 1.00 0.00 C ATOM 0 H VAL A 58 -8.024 7.748 5.030 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.789 8.433 5.333 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.374 9.862 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.946 10.423 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.507 11.039 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.247 9.580 7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.589 8.367 8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.837 7.435 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.169 7.474 6.968 1.00 0.00 H new ATOM 984 N ALA A 59 -8.756 10.459 3.726 1.00 0.00 N ATOM 985 CA ALA A 59 -8.688 11.639 2.864 1.00 0.00 C ATOM 986 C ALA A 59 -9.908 11.760 1.953 1.00 0.00 C ATOM 987 O ALA A 59 -10.513 12.827 1.855 1.00 0.00 O ATOM 988 CB ALA A 59 -7.413 11.609 2.036 1.00 0.00 C ATOM 0 H ALA A 59 -7.881 9.940 3.796 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.680 12.516 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.373 12.492 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.548 11.601 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.403 10.713 1.416 1.00 0.00 H new ATOM 994 N THR A 60 -10.263 10.668 1.283 1.00 0.00 N ATOM 995 CA THR A 60 -11.408 10.673 0.378 1.00 0.00 C ATOM 996 C THR A 60 -12.358 9.511 0.664 1.00 0.00 C ATOM 997 O THR A 60 -13.207 9.178 -0.162 1.00 0.00 O ATOM 998 CB THR A 60 -10.932 10.611 -1.075 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.055 9.515 -1.269 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.210 11.863 -1.523 1.00 0.00 C ATOM 0 H THR A 60 -9.778 9.773 1.349 1.00 0.00 H new ATOM 0 HA THR A 60 -11.955 11.601 0.542 1.00 0.00 H new ATOM 0 HB THR A 60 -11.838 10.502 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.763 9.491 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.900 11.752 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.878 12.720 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.332 12.020 -0.897 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.214 8.895 1.837 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.074 7.780 2.195 1.00 0.00 C ATOM 1010 C GLY A 61 -13.084 6.690 1.140 1.00 0.00 C ATOM 1011 O GLY A 61 -14.122 6.084 0.874 1.00 0.00 O ATOM 0 H GLY A 61 -11.521 9.147 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.741 7.359 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.090 8.144 2.346 1.00 0.00 H new ATOM 1015 N THR A 62 -11.926 6.443 0.537 1.00 0.00 N ATOM 1016 CA THR A 62 -11.805 5.424 -0.499 1.00 0.00 C ATOM 1017 C THR A 62 -11.204 4.138 0.063 1.00 0.00 C ATOM 1018 O THR A 62 -10.190 4.168 0.760 1.00 0.00 O ATOM 1019 CB THR A 62 -10.942 5.940 -1.652 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.705 4.913 -2.599 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.596 6.471 -1.205 1.00 0.00 C ATOM 0 H THR A 62 -11.058 6.935 0.748 1.00 0.00 H new ATOM 0 HA THR A 62 -12.805 5.202 -0.871 1.00 0.00 H new ATOM 0 HB THR A 62 -11.509 6.761 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.153 5.263 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.036 6.820 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.744 7.299 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.038 5.677 -0.709 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.831 3.007 -0.254 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.349 1.711 0.211 1.00 0.00 C ATOM 1031 C ASN A 63 -10.187 1.248 -0.659 1.00 0.00 C ATOM 1032 O ASN A 63 -10.146 1.542 -1.853 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.476 0.677 0.178 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.037 -0.675 0.703 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.923 -1.640 -0.053 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -11.787 -0.752 2.006 1.00 0.00 N ATOM 0 H ASN A 63 -12.672 2.963 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.005 1.814 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.315 1.039 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.834 0.567 -0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.488 -1.636 2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.895 0.073 2.596 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.234 0.542 -0.061 1.00 0.00 N ATOM 1044 CA LEU A 64 -8.073 0.074 -0.807 1.00 0.00 C ATOM 1045 C LEU A 64 -7.614 -1.310 -0.363 1.00 0.00 C ATOM 1046 O LEU A 64 -7.255 -1.520 0.796 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.917 1.064 -0.651 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.170 2.455 -1.240 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.638 3.534 -0.309 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.533 2.574 -2.616 1.00 0.00 C ATOM 0 H LEU A 64 -9.241 0.284 0.926 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.373 0.004 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.691 1.171 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.031 0.642 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.246 2.594 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.827 4.515 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.140 3.462 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.565 3.399 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.722 3.569 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.458 2.414 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.962 1.825 -3.281 1.00 0.00 H new ATOM 1062 N SER A 65 -7.588 -2.238 -1.313 1.00 0.00 N ATOM 1063 CA SER A 65 -7.128 -3.597 -1.057 1.00 0.00 C ATOM 1064 C SER A 65 -5.765 -3.772 -1.710 1.00 0.00 C ATOM 1065 O SER A 65 -5.657 -3.794 -2.936 1.00 0.00 O ATOM 1066 CB SER A 65 -8.121 -4.619 -1.614 1.00 0.00 C ATOM 1067 OG SER A 65 -9.457 -4.196 -1.407 1.00 0.00 O ATOM 0 H SER A 65 -7.883 -2.071 -2.275 1.00 0.00 H new ATOM 0 HA SER A 65 -7.052 -3.763 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.942 -4.761 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.963 -5.584 -1.133 1.00 0.00 H new ATOM 0 HG SER A 65 -10.072 -4.865 -1.773 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.719 -3.848 -0.897 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.367 -3.962 -1.430 1.00 0.00 C ATOM 1075 C LEU A 66 -2.664 -5.239 -1.000 1.00 0.00 C ATOM 1076 O LEU A 66 -2.913 -5.777 0.079 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.533 -2.760 -0.995 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.156 -1.397 -1.289 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.916 -0.885 -0.075 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.082 -0.409 -1.706 1.00 0.00 C ATOM 0 H LEU A 66 -4.778 -3.833 0.121 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.462 -3.992 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.349 -2.834 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.563 -2.813 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.863 -1.506 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.353 0.087 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.708 -1.588 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.232 -0.787 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.539 0.559 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.354 -0.302 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.581 -0.773 -2.603 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.755 -5.692 -1.855 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.961 -6.881 -1.586 1.00 0.00 C ATOM 1094 C GLN A 67 0.508 -6.487 -1.489 1.00 0.00 C ATOM 1095 O GLN A 67 1.153 -6.206 -2.498 1.00 0.00 O ATOM 1096 CB GLN A 67 -1.158 -7.928 -2.686 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.577 -7.991 -3.228 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.676 -8.798 -4.508 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -3.113 -8.293 -5.542 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.270 -10.061 -4.444 1.00 0.00 N ATOM 0 H GLN A 67 -1.549 -5.247 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.286 -7.321 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.475 -7.711 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.885 -8.908 -2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.231 -8.430 -2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.937 -6.979 -3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.915 -10.439 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.314 -10.653 -5.273 1.00 0.00 H new ATOM 1109 N PHE A 68 1.023 -6.447 -0.267 1.00 0.00 N ATOM 1110 CA PHE A 68 2.411 -6.060 -0.037 1.00 0.00 C ATOM 1111 C PHE A 68 3.327 -7.241 0.258 1.00 0.00 C ATOM 1112 O PHE A 68 3.064 -8.067 1.132 1.00 0.00 O ATOM 1113 CB PHE A 68 2.515 -5.007 1.069 1.00 0.00 C ATOM 1114 CG PHE A 68 1.306 -4.902 1.951 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.892 -5.957 2.757 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.581 -3.725 1.969 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.224 -5.825 3.561 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.532 -3.592 2.764 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.934 -4.639 3.561 1.00 0.00 C ATOM 0 H PHE A 68 0.503 -6.677 0.580 1.00 0.00 H new ATOM 0 HA PHE A 68 2.759 -5.625 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.382 -5.236 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.699 -4.035 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.446 -6.884 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.894 -2.898 1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.541 -6.646 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.090 -2.667 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.807 -4.534 4.188 1.00 0.00 H new ATOM 1129 N PHE A 69 4.418 -7.274 -0.494 1.00 0.00 N ATOM 1130 CA PHE A 69 5.447 -8.300 -0.379 1.00 0.00 C ATOM 1131 C PHE A 69 6.749 -7.782 -0.980 1.00 0.00 C ATOM 1132 O PHE A 69 6.729 -6.910 -1.849 1.00 0.00 O ATOM 1133 CB PHE A 69 5.028 -9.583 -1.097 1.00 0.00 C ATOM 1134 CG PHE A 69 4.291 -10.561 -0.229 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.736 -10.853 1.053 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.156 -11.199 -0.703 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.059 -11.767 1.841 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.477 -12.109 0.082 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.930 -12.394 1.355 1.00 0.00 C ATOM 0 H PHE A 69 4.617 -6.578 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 69 5.588 -8.529 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.397 -9.321 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.918 -10.069 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.618 -10.363 1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.798 -10.982 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.414 -11.990 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.592 -12.598 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.401 -13.107 1.970 1.00 0.00 H new ATOM 1149 N PRO A 70 7.900 -8.313 -0.547 1.00 0.00 N ATOM 1150 CA PRO A 70 9.196 -7.887 -1.078 1.00 0.00 C ATOM 1151 C PRO A 70 9.358 -8.264 -2.547 1.00 0.00 C ATOM 1152 O PRO A 70 9.507 -9.438 -2.885 1.00 0.00 O ATOM 1153 CB PRO A 70 10.207 -8.640 -0.211 1.00 0.00 C ATOM 1154 CG PRO A 70 9.459 -9.815 0.318 1.00 0.00 C ATOM 1155 CD PRO A 70 8.032 -9.365 0.474 1.00 0.00 C ATOM 0 HA PRO A 70 9.320 -6.805 -1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.072 -8.953 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.579 -8.012 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.528 -10.661 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.871 -10.142 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.331 -10.182 0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.838 -8.981 1.476 1.00 0.00 H new ATOM 1163 N ALA A 71 9.319 -7.258 -3.415 1.00 0.00 N ATOM 1164 CA ALA A 71 9.453 -7.474 -4.854 1.00 0.00 C ATOM 1165 C ALA A 71 10.678 -8.324 -5.183 1.00 0.00 C ATOM 1166 O ALA A 71 10.711 -9.010 -6.204 1.00 0.00 O ATOM 1167 CB ALA A 71 9.525 -6.139 -5.580 1.00 0.00 C ATOM 0 H ALA A 71 9.195 -6.282 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 71 8.572 -8.019 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.625 -6.312 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.615 -5.571 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.387 -5.576 -5.222 1.00 0.00 H new ATOM 1173 N SER A 72 11.681 -8.275 -4.313 1.00 0.00 N ATOM 1174 CA SER A 72 12.904 -9.042 -4.515 1.00 0.00 C ATOM 1175 C SER A 72 12.639 -10.544 -4.424 1.00 0.00 C ATOM 1176 O SER A 72 13.465 -11.354 -4.846 1.00 0.00 O ATOM 1177 CB SER A 72 13.959 -8.637 -3.484 1.00 0.00 C ATOM 1178 OG SER A 72 13.430 -8.672 -2.170 1.00 0.00 O ATOM 0 H SER A 72 11.671 -7.713 -3.462 1.00 0.00 H new ATOM 0 HA SER A 72 13.275 -8.821 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.815 -9.308 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.322 -7.634 -3.706 1.00 0.00 H new ATOM 0 HG SER A 72 13.331 -7.757 -1.833 1.00 0.00 H new ATOM 1319 N PRO A 81 6.931 -12.804 5.121 1.00 0.00 N ATOM 1320 CA PRO A 81 7.347 -11.610 4.377 1.00 0.00 C ATOM 1321 C PRO A 81 8.494 -10.864 5.041 1.00 0.00 C ATOM 1322 O PRO A 81 8.945 -11.225 6.129 1.00 0.00 O ATOM 1323 CB PRO A 81 6.094 -10.723 4.366 1.00 0.00 C ATOM 1324 CG PRO A 81 5.177 -11.316 5.381 1.00 0.00 C ATOM 1325 CD PRO A 81 5.490 -12.783 5.408 1.00 0.00 C ATOM 0 HA PRO A 81 7.713 -11.879 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.341 -9.691 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.631 -10.710 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.334 -10.865 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.134 -11.144 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.262 -13.229 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.919 -13.334 4.661 1.00 0.00 H new ATOM 1333 N SER A 82 8.950 -9.809 4.375 1.00 0.00 N ATOM 1334 CA SER A 82 10.036 -8.986 4.890 1.00 0.00 C ATOM 1335 C SER A 82 9.530 -7.589 5.235 1.00 0.00 C ATOM 1336 O SER A 82 8.438 -7.197 4.820 1.00 0.00 O ATOM 1337 CB SER A 82 11.167 -8.895 3.864 1.00 0.00 C ATOM 1338 OG SER A 82 11.361 -10.134 3.206 1.00 0.00 O ATOM 0 H SER A 82 8.582 -9.503 3.474 1.00 0.00 H new ATOM 0 HA SER A 82 10.420 -9.452 5.797 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.935 -8.123 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.090 -8.596 4.361 1.00 0.00 H new ATOM 0 HG SER A 82 12.088 -10.048 2.555 1.00 0.00 H new ATOM 1344 N ARG A 83 10.328 -6.836 5.986 1.00 0.00 N ATOM 1345 CA ARG A 83 9.953 -5.479 6.372 1.00 0.00 C ATOM 1346 C ARG A 83 9.918 -4.552 5.158 1.00 0.00 C ATOM 1347 O ARG A 83 9.431 -3.424 5.243 1.00 0.00 O ATOM 1348 CB ARG A 83 10.925 -4.930 7.420 1.00 0.00 C ATOM 1349 CG ARG A 83 11.392 -5.968 8.427 1.00 0.00 C ATOM 1350 CD ARG A 83 11.468 -5.389 9.831 1.00 0.00 C ATOM 1351 NE ARG A 83 11.580 -6.431 10.849 1.00 0.00 N ATOM 1352 CZ ARG A 83 12.717 -7.052 11.153 1.00 0.00 C ATOM 1353 NH1 ARG A 83 13.841 -6.744 10.518 1.00 0.00 N ATOM 1354 NH2 ARG A 83 12.731 -7.985 12.096 1.00 0.00 N ATOM 0 H ARG A 83 11.235 -7.141 6.339 1.00 0.00 H new ATOM 0 HA ARG A 83 8.953 -5.520 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.795 -4.513 6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.444 -4.110 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.709 -6.817 8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.372 -6.345 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.326 -4.720 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.579 -4.788 10.024 1.00 0.00 H new ATOM 0 HE ARG A 83 10.737 -6.698 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.837 -6.027 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.709 -7.224 10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.870 -8.226 12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.602 -8.461 12.329 1.00 0.00 H new ATOM 1368 N GLU A 84 10.427 -5.035 4.027 1.00 0.00 N ATOM 1369 CA GLU A 84 10.444 -4.251 2.800 1.00 0.00 C ATOM 1370 C GLU A 84 9.047 -3.757 2.454 1.00 0.00 C ATOM 1371 O GLU A 84 8.835 -2.562 2.248 1.00 0.00 O ATOM 1372 CB GLU A 84 11.001 -5.086 1.645 1.00 0.00 C ATOM 1373 CG GLU A 84 12.498 -5.333 1.741 1.00 0.00 C ATOM 1374 CD GLU A 84 13.015 -6.219 0.626 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.891 -5.825 -0.553 1.00 0.00 O ATOM 1376 OE2 GLU A 84 13.544 -7.310 0.930 1.00 0.00 O ATOM 0 H GLU A 84 10.833 -5.966 3.937 1.00 0.00 H new ATOM 0 HA GLU A 84 11.088 -3.386 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.484 -6.045 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.784 -4.580 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.023 -4.378 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.725 -5.795 2.702 1.00 0.00 H new ATOM 1383 N TYR A 85 8.097 -4.683 2.385 1.00 0.00 N ATOM 1384 CA TYR A 85 6.724 -4.333 2.054 1.00 0.00 C ATOM 1385 C TYR A 85 5.788 -4.550 3.241 1.00 0.00 C ATOM 1386 O TYR A 85 4.650 -4.089 3.234 1.00 0.00 O ATOM 1387 CB TYR A 85 6.263 -5.117 0.833 1.00 0.00 C ATOM 1388 CG TYR A 85 6.769 -4.517 -0.458 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.100 -4.139 -0.596 1.00 0.00 C ATOM 1390 CD2 TYR A 85 5.918 -4.317 -1.533 1.00 0.00 C ATOM 1391 CE1 TYR A 85 8.566 -3.583 -1.771 1.00 0.00 C ATOM 1392 CE2 TYR A 85 6.377 -3.761 -2.712 1.00 0.00 C ATOM 1393 CZ TYR A 85 7.701 -3.397 -2.827 1.00 0.00 C ATOM 1394 OH TYR A 85 8.162 -2.842 -3.999 1.00 0.00 O ATOM 0 H TYR A 85 8.253 -5.677 2.553 1.00 0.00 H new ATOM 0 HA TYR A 85 6.691 -3.270 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.610 -6.147 0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.174 -5.148 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.781 -4.283 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.879 -4.600 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.603 -3.295 -1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.700 -3.612 -3.540 1.00 0.00 H new ATOM 0 HH TYR A 85 7.426 -2.781 -4.643 1.00 0.00 H new ATOM 1404 N VAL A 86 6.284 -5.216 4.276 1.00 0.00 N ATOM 1405 CA VAL A 86 5.507 -5.439 5.486 1.00 0.00 C ATOM 1406 C VAL A 86 6.444 -5.524 6.674 1.00 0.00 C ATOM 1407 O VAL A 86 7.193 -6.488 6.827 1.00 0.00 O ATOM 1408 CB VAL A 86 4.635 -6.703 5.438 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.167 -6.336 5.291 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.069 -7.639 4.324 1.00 0.00 C ATOM 0 H VAL A 86 7.224 -5.612 4.300 1.00 0.00 H new ATOM 0 HA VAL A 86 4.826 -4.593 5.578 1.00 0.00 H new ATOM 0 HB VAL A 86 4.768 -7.232 6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.566 -7.245 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.858 -5.726 6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.023 -5.773 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.430 -8.522 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.986 -7.127 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.104 -7.941 4.485 1.00 0.00 H new ATOM 1420 N ASP A 87 6.409 -4.492 7.492 1.00 0.00 N ATOM 1421 CA ASP A 87 7.270 -4.397 8.658 1.00 0.00 C ATOM 1422 C ASP A 87 6.648 -5.022 9.895 1.00 0.00 C ATOM 1423 O ASP A 87 5.432 -5.009 10.082 1.00 0.00 O ATOM 1424 CB ASP A 87 7.621 -2.935 8.935 1.00 0.00 C ATOM 1425 CG ASP A 87 8.654 -2.787 10.034 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.267 -2.813 11.221 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.852 -2.646 9.708 1.00 0.00 O ATOM 0 H ASP A 87 5.784 -3.695 7.369 1.00 0.00 H new ATOM 0 HA ASP A 87 8.176 -4.959 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.998 -2.475 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.717 -2.394 9.214 1.00 0.00 H new ATOM 1515 N GLY A 93 3.365 0.130 18.798 1.00 0.00 N ATOM 1516 CA GLY A 93 2.306 1.114 18.699 1.00 0.00 C ATOM 1517 C GLY A 93 1.444 0.873 17.482 1.00 0.00 C ATOM 1518 O GLY A 93 0.224 0.750 17.585 1.00 0.00 O ATOM 0 HA2 GLY A 93 1.689 1.079 19.597 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.739 2.113 18.649 1.00 0.00 H new ATOM 1522 N LYS A 94 2.091 0.796 16.325 1.00 0.00 N ATOM 1523 CA LYS A 94 1.399 0.555 15.068 1.00 0.00 C ATOM 1524 C LYS A 94 2.320 -0.184 14.105 1.00 0.00 C ATOM 1525 O LYS A 94 3.538 -0.198 14.286 1.00 0.00 O ATOM 1526 CB LYS A 94 0.934 1.874 14.430 1.00 0.00 C ATOM 1527 CG LYS A 94 0.858 3.046 15.402 1.00 0.00 C ATOM 1528 CD LYS A 94 2.236 3.609 15.716 1.00 0.00 C ATOM 1529 CE LYS A 94 2.279 4.235 17.101 1.00 0.00 C ATOM 1530 NZ LYS A 94 3.674 4.403 17.593 1.00 0.00 N ATOM 0 H LYS A 94 3.102 0.898 16.233 1.00 0.00 H new ATOM 0 HA LYS A 94 0.519 -0.054 15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.615 2.132 13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.049 1.722 13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.233 3.831 14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.379 2.722 16.326 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.979 2.814 15.652 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.504 4.356 14.969 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.784 5.206 17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.721 3.611 17.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.659 4.833 18.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.139 3.474 17.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.200 5.020 16.941 1.00 0.00 H new ATOM 1544 N VAL A 95 1.741 -0.784 13.073 1.00 0.00 N ATOM 1545 CA VAL A 95 2.525 -1.506 12.079 1.00 0.00 C ATOM 1546 C VAL A 95 2.344 -0.866 10.710 1.00 0.00 C ATOM 1547 O VAL A 95 1.231 -0.521 10.319 1.00 0.00 O ATOM 1548 CB VAL A 95 2.141 -3.001 12.009 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.634 -3.169 12.065 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.713 -3.653 10.755 1.00 0.00 C ATOM 0 H VAL A 95 0.735 -0.785 12.903 1.00 0.00 H new ATOM 0 HA VAL A 95 3.570 -1.446 12.382 1.00 0.00 H new ATOM 0 HB VAL A 95 2.573 -3.503 12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.384 -4.229 12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.256 -2.751 12.998 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.178 -2.648 11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.428 -4.705 10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.320 -3.149 9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.800 -3.571 10.766 1.00 0.00 H new ATOM 1560 N TYR A 96 3.446 -0.720 9.988 1.00 0.00 N ATOM 1561 CA TYR A 96 3.419 -0.122 8.656 1.00 0.00 C ATOM 1562 C TYR A 96 3.950 -1.051 7.573 1.00 0.00 C ATOM 1563 O TYR A 96 4.890 -1.816 7.787 1.00 0.00 O ATOM 1564 CB TYR A 96 4.135 1.240 8.613 1.00 0.00 C ATOM 1565 CG TYR A 96 5.069 1.568 9.773 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.904 0.627 10.382 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.101 2.871 10.258 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.730 0.986 11.435 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.923 3.231 11.303 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.734 2.290 11.889 1.00 0.00 C ATOM 1571 OH TYR A 96 7.555 2.657 12.927 1.00 0.00 O ATOM 0 H TYR A 96 4.373 -1.007 10.301 1.00 0.00 H new ATOM 0 HA TYR A 96 2.365 0.049 8.437 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.711 1.291 7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.376 2.020 8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.905 -0.393 10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.466 3.618 9.805 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.368 0.249 11.899 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.930 4.250 11.661 1.00 0.00 H new ATOM 0 HH TYR A 96 7.433 3.610 13.119 1.00 0.00 H new ATOM 1581 N LEU A 97 3.310 -0.974 6.402 1.00 0.00 N ATOM 1582 CA LEU A 97 3.673 -1.799 5.258 1.00 0.00 C ATOM 1583 C LEU A 97 3.607 -1.000 3.954 1.00 0.00 C ATOM 1584 O LEU A 97 2.916 0.018 3.869 1.00 0.00 O ATOM 1585 CB LEU A 97 2.750 -3.025 5.168 1.00 0.00 C ATOM 1586 CG LEU A 97 1.266 -2.771 5.481 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.056 -2.382 6.939 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.701 -1.700 4.569 1.00 0.00 C ATOM 0 H LEU A 97 2.531 -0.340 6.226 1.00 0.00 H new ATOM 0 HA LEU A 97 4.700 -2.134 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.824 -3.439 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.121 -3.787 5.854 1.00 0.00 H new ATOM 0 HG LEU A 97 0.733 -3.705 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.005 -2.211 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.410 -3.186 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.613 -1.471 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.350 -1.536 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.254 -0.772 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.792 -2.021 3.531 1.00 0.00 H new ATOM 1600 N LYS A 98 4.332 -1.480 2.944 1.00 0.00 N ATOM 1601 CA LYS A 98 4.373 -0.841 1.630 1.00 0.00 C ATOM 1602 C LYS A 98 3.958 -1.831 0.544 1.00 0.00 C ATOM 1603 O LYS A 98 4.526 -2.918 0.440 1.00 0.00 O ATOM 1604 CB LYS A 98 5.784 -0.327 1.336 1.00 0.00 C ATOM 1605 CG LYS A 98 5.842 0.666 0.186 1.00 0.00 C ATOM 1606 CD LYS A 98 7.040 1.594 0.312 1.00 0.00 C ATOM 1607 CE LYS A 98 8.331 0.902 -0.098 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.965 1.560 -1.273 1.00 0.00 N ATOM 0 H LYS A 98 4.906 -2.320 3.014 1.00 0.00 H new ATOM 0 HA LYS A 98 3.677 -0.002 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.184 0.145 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.430 -1.174 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.896 0.127 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.925 1.255 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.885 2.475 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.124 1.942 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.028 0.907 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.124 -0.142 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.942 1.220 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.426 1.330 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.970 2.591 -1.133 1.00 0.00 H new ATOM 1622 N ALA A 99 2.968 -1.456 -0.263 1.00 0.00 N ATOM 1623 CA ALA A 99 2.489 -2.329 -1.332 1.00 0.00 C ATOM 1624 C ALA A 99 2.620 -1.671 -2.706 1.00 0.00 C ATOM 1625 O ALA A 99 2.436 -0.461 -2.845 1.00 0.00 O ATOM 1626 CB ALA A 99 1.044 -2.727 -1.080 1.00 0.00 C ATOM 0 H ALA A 99 2.485 -0.560 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 99 3.115 -3.221 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.700 -3.377 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.973 -3.256 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.421 -1.833 -1.045 1.00 0.00 H new ATOM 1632 N PRO A 100 2.931 -2.472 -3.744 1.00 0.00 N ATOM 1633 CA PRO A 100 3.077 -1.988 -5.109 1.00 0.00 C ATOM 1634 C PRO A 100 1.765 -2.086 -5.882 1.00 0.00 C ATOM 1635 O PRO A 100 1.100 -3.120 -5.853 1.00 0.00 O ATOM 1636 CB PRO A 100 4.112 -2.954 -5.680 1.00 0.00 C ATOM 1637 CG PRO A 100 3.852 -4.253 -4.980 1.00 0.00 C ATOM 1638 CD PRO A 100 3.159 -3.927 -3.674 1.00 0.00 C ATOM 0 HA PRO A 100 3.365 -0.938 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.003 -3.058 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.127 -2.601 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.229 -4.903 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.786 -4.785 -4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.221 -4.473 -3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.777 -4.193 -2.817 1.00 0.00 H new ATOM 1646 N MET A 101 1.388 -1.009 -6.566 1.00 0.00 N ATOM 1647 CA MET A 101 0.145 -1.003 -7.326 1.00 0.00 C ATOM 1648 C MET A 101 0.264 -0.146 -8.579 1.00 0.00 C ATOM 1649 O MET A 101 1.139 0.713 -8.680 1.00 0.00 O ATOM 1650 CB MET A 101 -1.004 -0.491 -6.457 1.00 0.00 C ATOM 1651 CG MET A 101 -1.668 -1.577 -5.628 1.00 0.00 C ATOM 1652 SD MET A 101 -3.466 -1.578 -5.787 1.00 0.00 S ATOM 1653 CE MET A 101 -3.893 -0.101 -4.868 1.00 0.00 C ATOM 0 H MET A 101 1.919 -0.139 -6.609 1.00 0.00 H new ATOM 0 HA MET A 101 -0.061 -2.028 -7.633 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.627 0.284 -5.790 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.753 -0.025 -7.097 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.280 -2.549 -5.933 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.401 -1.442 -4.580 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.677 -0.335 -4.148 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.013 0.266 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.249 0.666 -5.556 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.634 -0.384 -9.527 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.649 0.366 -10.773 1.00 0.00 C ATOM 1665 C ILE A 102 -1.830 1.328 -10.800 1.00 0.00 C ATOM 1666 O ILE A 102 -2.976 0.916 -10.983 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.724 -0.569 -11.999 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.498 -1.491 -12.037 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.829 0.237 -13.289 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.793 -0.768 -12.341 1.00 0.00 C ATOM 0 H ILE A 102 -1.363 -1.094 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 102 0.284 0.928 -10.824 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.621 -1.183 -11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.591 -1.997 -11.076 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.337 -2.263 -12.790 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.881 -0.443 -14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.728 0.852 -13.261 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.047 0.878 -13.390 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.615 -1.483 -12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.720 -0.285 -13.315 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.978 -0.015 -11.575 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.542 2.611 -10.622 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.583 3.632 -10.631 1.00 0.00 C ATOM 1684 C LEU A 103 -2.588 4.356 -11.968 1.00 0.00 C ATOM 1685 O LEU A 103 -1.555 4.467 -12.607 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.373 4.629 -9.491 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.828 4.142 -8.113 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.507 5.179 -7.048 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.318 3.832 -8.123 1.00 0.00 C ATOM 0 H LEU A 103 -0.599 2.969 -10.470 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.547 3.145 -10.486 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.314 4.881 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.908 5.548 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.287 3.226 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.838 4.816 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.432 5.355 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.022 6.111 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.625 3.487 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.875 4.732 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.523 3.054 -8.859 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.761 4.831 -12.386 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.934 5.539 -13.665 1.00 0.00 C ATOM 1703 C ASN A 104 -2.639 5.644 -14.485 1.00 0.00 C ATOM 1704 O ASN A 104 -1.935 6.653 -14.431 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.481 6.942 -13.404 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.826 7.676 -14.685 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.507 7.219 -15.781 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.484 8.823 -14.551 1.00 0.00 N ATOM 0 H ASN A 104 -4.624 4.738 -11.849 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.636 4.950 -14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.371 6.871 -12.778 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.743 7.518 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.744 9.361 -15.377 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.729 9.165 -13.622 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.354 4.594 -15.259 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.167 4.562 -16.109 1.00 0.00 C ATOM 1717 C GLY A 105 0.081 5.130 -15.455 1.00 0.00 C ATOM 1718 O GLY A 105 0.750 5.986 -16.031 1.00 0.00 O ATOM 0 H GLY A 105 -2.931 3.755 -15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.972 3.531 -16.404 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.372 5.121 -17.022 1.00 0.00 H new ATOM 1722 N VAL A 106 0.393 4.650 -14.256 1.00 0.00 N ATOM 1723 CA VAL A 106 1.560 5.106 -13.513 1.00 0.00 C ATOM 1724 C VAL A 106 1.910 4.105 -12.420 1.00 0.00 C ATOM 1725 O VAL A 106 1.025 3.470 -11.844 1.00 0.00 O ATOM 1726 CB VAL A 106 1.312 6.485 -12.862 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.441 6.850 -11.907 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.142 7.558 -13.922 1.00 0.00 C ATOM 0 H VAL A 106 -0.154 3.937 -13.774 1.00 0.00 H new ATOM 0 HA VAL A 106 2.384 5.194 -14.221 1.00 0.00 H new ATOM 0 HB VAL A 106 0.389 6.422 -12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.241 7.825 -11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.508 6.099 -11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.383 6.887 -12.454 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.968 8.521 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.044 7.614 -14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.291 7.311 -14.557 1.00 0.00 H new ATOM 1738 N CYS A 107 3.195 3.979 -12.118 1.00 0.00 N ATOM 1739 CA CYS A 107 3.630 3.067 -11.069 1.00 0.00 C ATOM 1740 C CYS A 107 3.556 3.772 -9.724 1.00 0.00 C ATOM 1741 O CYS A 107 4.201 4.801 -9.517 1.00 0.00 O ATOM 1742 CB CYS A 107 5.051 2.568 -11.339 1.00 0.00 C ATOM 1743 SG CYS A 107 5.685 1.435 -10.081 1.00 0.00 S ATOM 0 H CYS A 107 3.947 4.491 -12.579 1.00 0.00 H new ATOM 0 HA CYS A 107 2.970 2.200 -11.055 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.071 2.068 -12.307 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.719 3.426 -11.410 1.00 0.00 H new ATOM 0 HG CYS A 107 6.891 1.066 -10.397 1.00 0.00 H new ATOM 1749 N VAL A 108 2.740 3.240 -8.820 1.00 0.00 N ATOM 1750 CA VAL A 108 2.564 3.854 -7.513 1.00 0.00 C ATOM 1751 C VAL A 108 2.915 2.902 -6.375 1.00 0.00 C ATOM 1752 O VAL A 108 3.076 1.698 -6.574 1.00 0.00 O ATOM 1753 CB VAL A 108 1.118 4.349 -7.338 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.791 5.402 -8.388 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.141 3.186 -7.422 1.00 0.00 C ATOM 0 H VAL A 108 2.195 2.391 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 108 3.251 4.699 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 108 1.023 4.803 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.235 5.744 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.472 6.246 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.902 4.971 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.877 3.556 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.234 2.703 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.365 2.465 -6.636 1.00 0.00 H new ATOM 1765 N ILE A 109 3.035 3.469 -5.179 1.00 0.00 N ATOM 1766 CA ILE A 109 3.373 2.706 -3.985 1.00 0.00 C ATOM 1767 C ILE A 109 2.642 3.262 -2.767 1.00 0.00 C ATOM 1768 O ILE A 109 2.892 4.392 -2.349 1.00 0.00 O ATOM 1769 CB ILE A 109 4.887 2.749 -3.707 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.683 2.548 -5.003 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.261 1.694 -2.673 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.172 2.374 -4.785 1.00 0.00 C ATOM 0 H ILE A 109 2.901 4.466 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 109 3.067 1.675 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 109 5.140 3.731 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.297 1.672 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.519 3.405 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.334 1.734 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.722 1.887 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.995 0.706 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.667 2.237 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.574 3.260 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.348 1.500 -4.158 1.00 0.00 H new ATOM 1784 N TRP A 110 1.746 2.466 -2.197 1.00 0.00 N ATOM 1785 CA TRP A 110 0.994 2.896 -1.023 1.00 0.00 C ATOM 1786 C TRP A 110 1.597 2.308 0.248 1.00 0.00 C ATOM 1787 O TRP A 110 1.784 1.097 0.356 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.477 2.490 -1.149 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.310 2.889 0.034 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.125 3.980 0.139 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.404 2.198 1.283 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.720 4.008 1.379 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.292 2.924 2.098 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.824 1.034 1.789 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.611 2.523 3.393 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.141 0.639 3.073 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.027 1.379 3.863 1.00 0.00 C ATOM 0 H TRP A 110 1.523 1.526 -2.525 1.00 0.00 H new ATOM 0 HA TRP A 110 1.051 3.983 -0.962 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.895 2.943 -2.048 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.538 1.409 -1.279 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.280 4.714 -0.638 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.373 4.719 1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.140 0.453 1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.294 3.094 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.696 -0.259 3.476 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.254 1.041 4.863 1.00 0.00 H new ATOM 1808 N LYS A 111 1.905 3.177 1.207 1.00 0.00 N ATOM 1809 CA LYS A 111 2.491 2.747 2.470 1.00 0.00 C ATOM 1810 C LYS A 111 1.826 3.468 3.639 1.00 0.00 C ATOM 1811 O LYS A 111 1.472 4.643 3.533 1.00 0.00 O ATOM 1812 CB LYS A 111 4.003 3.011 2.460 1.00 0.00 C ATOM 1813 CG LYS A 111 4.653 2.949 3.834 1.00 0.00 C ATOM 1814 CD LYS A 111 4.535 4.280 4.554 1.00 0.00 C ATOM 1815 CE LYS A 111 4.234 4.091 6.032 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.478 3.974 6.842 1.00 0.00 N ATOM 0 H LYS A 111 1.758 4.184 1.132 1.00 0.00 H new ATOM 0 HA LYS A 111 2.323 1.677 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.484 2.281 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.187 3.994 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.180 2.167 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.704 2.680 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.463 4.840 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.745 4.874 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.644 4.933 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.627 3.196 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.239 3.646 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.122 3.292 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.943 4.902 6.900 1.00 0.00 H new ATOM 1830 N GLY A 112 1.658 2.761 4.753 1.00 0.00 N ATOM 1831 CA GLY A 112 1.035 3.365 5.917 1.00 0.00 C ATOM 1832 C GLY A 112 0.994 2.433 7.110 1.00 0.00 C ATOM 1833 O GLY A 112 1.165 1.222 6.964 1.00 0.00 O ATOM 0 H GLY A 112 1.940 1.788 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.580 4.270 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.019 3.668 5.664 1.00 0.00 H new ATOM 1837 N TRP A 113 0.769 2.996 8.294 1.00 0.00 N ATOM 1838 CA TRP A 113 0.708 2.198 9.512 1.00 0.00 C ATOM 1839 C TRP A 113 -0.702 2.178 10.090 1.00 0.00 C ATOM 1840 O TRP A 113 -1.495 3.091 9.852 1.00 0.00 O ATOM 1841 CB TRP A 113 1.693 2.723 10.557 1.00 0.00 C ATOM 1842 CG TRP A 113 1.486 4.164 10.911 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.188 5.235 10.436 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.519 4.691 11.826 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.711 6.396 10.994 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.687 6.089 11.852 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.474 4.117 12.623 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.101 6.919 12.645 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.256 4.942 13.410 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.066 6.329 13.416 1.00 0.00 C ATOM 0 H TRP A 113 0.627 3.996 8.434 1.00 0.00 H new ATOM 0 HA TRP A 113 0.986 1.178 9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.605 2.120 11.461 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.709 2.592 10.184 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.999 5.177 9.726 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.062 7.334 10.801 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.628 3.048 12.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.044 7.989 12.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.027 4.509 14.031 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.694 6.946 14.042 1.00 0.00 H new ATOM 1861 N ILE A 114 -0.996 1.135 10.862 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.302 0.983 11.497 1.00 0.00 C ATOM 1863 C ILE A 114 -2.141 0.771 12.996 1.00 0.00 C ATOM 1864 O ILE A 114 -1.246 0.047 13.432 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.105 -0.213 10.925 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.719 -0.506 9.473 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.598 0.059 11.031 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.996 0.643 8.530 1.00 0.00 C ATOM 0 H ILE A 114 -0.343 0.378 11.064 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.851 1.902 11.291 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.860 -1.095 11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.658 -0.752 9.430 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.265 -1.386 9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.152 -0.788 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.868 0.203 12.077 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.845 0.958 10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.698 0.364 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.061 0.876 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.429 1.519 8.847 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.013 1.388 13.783 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.951 1.243 15.229 1.00 0.00 C ATOM 1882 C ASP A 115 -3.735 0.000 15.661 1.00 0.00 C ATOM 1883 O ASP A 115 -4.890 -0.189 15.272 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.468 2.516 15.917 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.956 2.491 16.195 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.410 1.551 16.870 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.663 3.414 15.741 1.00 0.00 O ATOM 0 H ASP A 115 -3.765 1.989 13.447 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.914 1.107 15.537 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.933 2.654 16.857 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.238 3.377 15.290 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.082 -0.859 16.439 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.684 -2.112 16.895 1.00 0.00 C ATOM 1894 C LEU A 116 -4.661 -1.932 18.061 1.00 0.00 C ATOM 1895 O LEU A 116 -5.071 -2.916 18.677 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.582 -3.094 17.294 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.387 -3.151 16.335 1.00 0.00 C ATOM 1898 CD1 LEU A 116 -0.091 -3.364 17.105 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.584 -4.252 15.301 1.00 0.00 C ATOM 0 H LEU A 116 -2.129 -0.710 16.770 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.265 -2.502 16.060 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.220 -2.827 18.287 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.015 -4.091 17.371 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.321 -2.197 15.812 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.745 -3.402 16.407 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.057 -2.541 17.804 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.146 -4.303 17.657 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.726 -4.278 14.629 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.678 -5.213 15.806 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.489 -4.054 14.727 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.048 -0.697 18.362 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.991 -0.452 19.452 1.00 0.00 C ATOM 1913 C HIS A 117 -7.257 0.224 18.929 1.00 0.00 C ATOM 1914 O HIS A 117 -8.359 -0.304 19.072 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.350 0.397 20.556 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.522 1.541 20.052 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -4.783 2.856 20.376 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.423 1.561 19.262 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -3.880 3.635 19.806 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -3.043 2.874 19.126 1.00 0.00 N ATOM 0 H HIS A 117 -4.730 0.141 17.875 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.264 -1.417 19.880 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.137 0.789 21.200 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -4.723 -0.245 21.174 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.936 0.704 18.821 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -3.835 4.711 19.884 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -2.244 3.207 18.587 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.083 1.383 18.309 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.202 2.130 17.742 1.00 0.00 C ATOM 1931 C ARG A 118 -8.535 1.626 16.336 1.00 0.00 C ATOM 1932 O ARG A 118 -9.615 1.904 15.814 1.00 0.00 O ATOM 1933 CB ARG A 118 -7.893 3.635 17.696 1.00 0.00 C ATOM 1934 CG ARG A 118 -6.782 4.073 18.639 1.00 0.00 C ATOM 1935 CD ARG A 118 -6.594 5.582 18.619 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.516 6.263 19.527 1.00 0.00 N ATOM 1937 CZ ARG A 118 -8.728 6.692 19.176 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -9.178 6.504 17.941 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -9.493 7.308 20.066 1.00 0.00 N ATOM 0 H ARG A 118 -6.174 1.829 18.185 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.066 1.971 18.388 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.618 3.907 16.677 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.800 4.188 17.939 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.015 3.748 19.653 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -5.849 3.586 18.355 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -5.568 5.823 18.897 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.745 5.952 17.605 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.213 6.419 20.488 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.595 6.028 17.253 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.107 6.835 17.681 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.154 7.453 21.017 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.421 7.637 19.800 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.604 0.882 15.726 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.806 0.336 14.383 1.00 0.00 C ATOM 1955 C LEU A 119 -7.805 1.434 13.321 1.00 0.00 C ATOM 1956 O LEU A 119 -8.368 1.280 12.230 1.00 0.00 O ATOM 1957 CB LEU A 119 -9.104 -0.466 14.337 1.00 0.00 C ATOM 1958 CG LEU A 119 -9.110 -1.757 15.175 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -10.098 -2.758 14.603 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.719 -2.381 15.250 1.00 0.00 C ATOM 0 H LEU A 119 -6.704 0.646 16.143 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.972 -0.328 14.158 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.919 0.173 14.678 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.315 -0.725 13.299 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.417 -1.491 16.187 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.089 -3.665 15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.099 -2.326 14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.816 -3.003 13.579 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.760 -3.291 15.849 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.374 -2.624 14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.028 -1.675 15.710 1.00 0.00 H new ATOM 1972 N ASP A 120 -7.139 2.529 13.650 1.00 0.00 N ATOM 1973 CA ASP A 120 -7.006 3.666 12.748 1.00 0.00 C ATOM 1974 C ASP A 120 -5.530 4.020 12.596 1.00 0.00 C ATOM 1975 O ASP A 120 -4.758 3.885 13.545 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.786 4.869 13.282 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.267 4.579 13.437 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.691 3.453 13.102 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -10.004 5.478 13.895 1.00 0.00 O ATOM 0 H ASP A 120 -6.675 2.657 14.549 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.417 3.399 11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.374 5.166 14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.653 5.713 12.606 1.00 0.00 H new ATOM 1984 N GLY A 121 -5.128 4.452 11.408 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.732 4.785 11.199 1.00 0.00 C ATOM 1986 C GLY A 121 -3.512 5.942 10.247 1.00 0.00 C ATOM 1987 O GLY A 121 -4.405 6.757 10.024 1.00 0.00 O ATOM 0 H GLY A 121 -5.733 4.577 10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.279 5.027 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.213 3.907 10.814 1.00 0.00 H new ATOM 1991 N MET A 122 -2.305 6.008 9.691 1.00 0.00 N ATOM 1992 CA MET A 122 -1.939 7.068 8.759 1.00 0.00 C ATOM 1993 C MET A 122 -1.126 6.504 7.598 1.00 0.00 C ATOM 1994 O MET A 122 -0.075 5.898 7.803 1.00 0.00 O ATOM 1995 CB MET A 122 -1.137 8.154 9.481 1.00 0.00 C ATOM 1996 CG MET A 122 -0.713 9.302 8.579 1.00 0.00 C ATOM 1997 SD MET A 122 -0.533 10.857 9.472 1.00 0.00 S ATOM 1998 CE MET A 122 -2.155 11.012 10.215 1.00 0.00 C ATOM 0 H MET A 122 -1.560 5.335 9.872 1.00 0.00 H new ATOM 0 HA MET A 122 -2.854 7.508 8.362 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.735 8.550 10.301 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.248 7.704 9.923 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.233 9.052 8.099 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.450 9.427 7.785 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.471 12.055 10.184 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.868 10.400 9.663 1.00 0.00 H new ATOM 0 HE3 MET A 122 -2.114 10.675 11.251 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.620 6.702 6.380 1.00 0.00 N ATOM 2009 CA GLY A 123 -0.923 6.199 5.210 1.00 0.00 C ATOM 2010 C GLY A 123 -0.443 7.305 4.293 1.00 0.00 C ATOM 2011 O GLY A 123 -0.480 8.481 4.652 1.00 0.00 O ATOM 0 H GLY A 123 -2.488 7.200 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.069 5.602 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.586 5.535 4.655 1.00 0.00 H new ATOM 2015 N CYS A 124 0.010 6.924 3.102 1.00 0.00 N ATOM 2016 CA CYS A 124 0.505 7.886 2.126 1.00 0.00 C ATOM 2017 C CYS A 124 0.898 7.189 0.829 1.00 0.00 C ATOM 2018 O CYS A 124 1.412 6.070 0.850 1.00 0.00 O ATOM 2019 CB CYS A 124 1.709 8.642 2.693 1.00 0.00 C ATOM 2020 SG CYS A 124 3.169 7.610 2.969 1.00 0.00 S ATOM 0 H CYS A 124 0.044 5.953 2.790 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.295 8.594 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.972 9.449 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.421 9.105 3.637 1.00 0.00 H new ATOM 0 HG CYS A 124 3.090 6.541 2.234 1.00 0.00 H new ATOM 2026 N LEU A 125 0.663 7.852 -0.298 1.00 0.00 N ATOM 2027 CA LEU A 125 1.012 7.280 -1.594 1.00 0.00 C ATOM 2028 C LEU A 125 2.405 7.729 -2.017 1.00 0.00 C ATOM 2029 O LEU A 125 2.943 8.702 -1.490 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.013 7.672 -2.663 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.300 6.844 -2.679 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.138 7.189 -3.900 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.983 5.356 -2.655 1.00 0.00 C ATOM 0 H LEU A 125 0.236 8.777 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 125 1.005 6.195 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.278 8.720 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.461 7.593 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.874 7.086 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.050 6.591 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.398 8.247 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.568 6.976 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.912 4.786 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.387 5.097 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.423 5.118 -1.751 1.00 0.00 H new ATOM 2045 N GLU A 126 2.983 7.012 -2.970 1.00 0.00 N ATOM 2046 CA GLU A 126 4.313 7.325 -3.469 1.00 0.00 C ATOM 2047 C GLU A 126 4.433 6.894 -4.922 1.00 0.00 C ATOM 2048 O GLU A 126 3.695 6.022 -5.374 1.00 0.00 O ATOM 2049 CB GLU A 126 5.377 6.625 -2.619 1.00 0.00 C ATOM 2050 CG GLU A 126 6.485 7.553 -2.147 1.00 0.00 C ATOM 2051 CD GLU A 126 7.443 7.931 -3.259 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.850 7.032 -4.024 1.00 0.00 O ATOM 2053 OE2 GLU A 126 7.787 9.127 -3.365 1.00 0.00 O ATOM 0 H GLU A 126 2.548 6.204 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 126 4.471 8.401 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.897 6.174 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.816 5.813 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.043 8.458 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 126 7.040 7.070 -1.343 1.00 0.00 H new ATOM 2060 N PHE A 127 5.360 7.491 -5.652 1.00 0.00 N ATOM 2061 CA PHE A 127 5.556 7.139 -7.038 1.00 0.00 C ATOM 2062 C PHE A 127 6.895 6.419 -7.184 1.00 0.00 C ATOM 2063 O PHE A 127 7.890 6.817 -6.578 1.00 0.00 O ATOM 2064 CB PHE A 127 5.483 8.400 -7.903 1.00 0.00 C ATOM 2065 CG PHE A 127 6.152 8.267 -9.230 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.524 8.322 -9.315 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.411 8.087 -10.383 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.158 8.199 -10.534 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.035 7.963 -11.608 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.414 8.020 -11.684 1.00 0.00 C ATOM 0 H PHE A 127 5.984 8.219 -5.304 1.00 0.00 H new ATOM 0 HA PHE A 127 4.771 6.464 -7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.436 8.660 -8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.939 9.228 -7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.110 8.463 -8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.333 8.043 -10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.236 8.243 -10.589 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.448 7.822 -12.504 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.908 7.925 -12.640 1.00 0.00 H new ATOM 2080 N ASP A 128 6.911 5.344 -7.964 1.00 0.00 N ATOM 2081 CA ASP A 128 8.128 4.561 -8.146 1.00 0.00 C ATOM 2082 C ASP A 128 8.958 5.082 -9.315 1.00 0.00 C ATOM 2083 O ASP A 128 8.611 4.873 -10.475 1.00 0.00 O ATOM 2084 CB ASP A 128 7.780 3.090 -8.373 1.00 0.00 C ATOM 2085 CG ASP A 128 8.715 2.153 -7.632 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.887 2.530 -7.421 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.274 1.044 -7.262 1.00 0.00 O ATOM 0 H ASP A 128 6.101 4.996 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 128 8.723 4.657 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.755 2.908 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.821 2.870 -9.440 1.00 0.00 H new ATOM 2092 N GLU A 129 10.063 5.751 -8.995 1.00 0.00 N ATOM 2093 CA GLU A 129 10.955 6.298 -10.013 1.00 0.00 C ATOM 2094 C GLU A 129 11.835 5.200 -10.606 1.00 0.00 C ATOM 2095 O GLU A 129 12.244 5.276 -11.764 1.00 0.00 O ATOM 2096 CB GLU A 129 11.833 7.400 -9.411 1.00 0.00 C ATOM 2097 CG GLU A 129 11.334 8.808 -9.694 1.00 0.00 C ATOM 2098 CD GLU A 129 12.361 9.870 -9.355 1.00 0.00 C ATOM 2099 OE1 GLU A 129 13.473 9.822 -9.923 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.056 10.748 -8.523 1.00 0.00 O ATOM 0 H GLU A 129 10.362 5.927 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 129 10.344 6.723 -10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.892 7.256 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.846 7.298 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.067 8.890 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.426 8.990 -9.120 1.00 0.00 H new