USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 769 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0146) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 CYS SG : rot 180:sc= 0.0115 USER MOD Single : A 12 ASN : amide:sc= -0.688 X(o=-0.69,f=-0.85) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -176:sc= -2.49 (180deg=-2.66) USER MOD Single : A 27 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-0.89) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 156:sc= 0.942 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 40 CYS SG : rot 180:sc=-0.00274 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 67 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-3.7) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.0108 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 77 HIS : no HD1:sc= -0.0673 K(o=-0.067,f=-2!) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0.628 (180deg=0.519) USER MOD Single : A 80 HIS : no HD1:sc= -0.819 X(o=-0.82,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 133:sc= 0.0956 (180deg=-0.198) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0858 X(o=-0.086,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0866 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0808 USER MOD Single : A 111 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 7.111 -10.143 -7.072 1.00 0.00 N ATOM 138 CA ASN A 12 6.910 -8.971 -7.917 1.00 0.00 C ATOM 139 C ASN A 12 7.574 -7.740 -7.307 1.00 0.00 C ATOM 140 O ASN A 12 7.101 -6.617 -7.479 1.00 0.00 O ATOM 141 CB ASN A 12 5.416 -8.712 -8.119 1.00 0.00 C ATOM 142 CG ASN A 12 5.150 -7.662 -9.181 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.695 -6.559 -8.878 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.432 -8.002 -10.433 1.00 0.00 N ATOM 0 HA ASN A 12 7.371 -9.168 -8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.923 -9.643 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.975 -8.391 -7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.273 -7.337 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.808 -8.928 -10.638 1.00 0.00 H new ATOM 151 N GLY A 13 8.674 -7.960 -6.594 1.00 0.00 N ATOM 152 CA GLY A 13 9.386 -6.860 -5.970 1.00 0.00 C ATOM 153 C GLY A 13 8.955 -6.632 -4.534 1.00 0.00 C ATOM 154 O GLY A 13 9.656 -5.973 -3.765 1.00 0.00 O ATOM 0 H GLY A 13 9.085 -8.880 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.457 -7.062 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.219 -5.950 -6.546 1.00 0.00 H new ATOM 158 N PHE A 14 7.799 -7.176 -4.171 1.00 0.00 N ATOM 159 CA PHE A 14 7.275 -7.026 -2.818 1.00 0.00 C ATOM 160 C PHE A 14 8.123 -7.805 -1.817 1.00 0.00 C ATOM 161 O PHE A 14 8.463 -8.966 -2.044 1.00 0.00 O ATOM 162 CB PHE A 14 5.823 -7.506 -2.755 1.00 0.00 C ATOM 163 CG PHE A 14 4.822 -6.426 -3.051 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.375 -5.583 -2.047 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.327 -6.254 -4.334 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.453 -4.589 -2.316 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.405 -5.262 -4.610 1.00 0.00 C ATOM 168 CZ PHE A 14 2.969 -4.427 -3.600 1.00 0.00 C ATOM 0 H PHE A 14 7.207 -7.725 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 14 7.313 -5.969 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.687 -8.321 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.625 -7.912 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.751 -5.704 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.666 -6.903 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.111 -3.940 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.026 -5.140 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.251 -3.649 -3.813 1.00 0.00 H new ATOM 178 N LYS A 15 8.463 -7.156 -0.708 1.00 0.00 N ATOM 179 CA LYS A 15 9.271 -7.785 0.330 1.00 0.00 C ATOM 180 C LYS A 15 8.607 -7.645 1.696 1.00 0.00 C ATOM 181 O LYS A 15 7.890 -6.677 1.952 1.00 0.00 O ATOM 182 CB LYS A 15 10.669 -7.163 0.364 1.00 0.00 C ATOM 183 CG LYS A 15 11.341 -7.104 -0.997 1.00 0.00 C ATOM 184 CD LYS A 15 12.852 -7.010 -0.868 1.00 0.00 C ATOM 185 CE LYS A 15 13.517 -6.824 -2.224 1.00 0.00 C ATOM 186 NZ LYS A 15 13.472 -5.405 -2.673 1.00 0.00 N ATOM 0 H LYS A 15 8.191 -6.194 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 15 9.358 -8.846 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.599 -6.154 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.297 -7.737 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.078 -7.992 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.968 -6.243 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.111 -6.175 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.235 -7.914 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.554 -7.155 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.020 -7.454 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.935 -5.319 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.482 -5.097 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.968 -4.806 -1.982 1.00 0.00 H new ATOM 200 N VAL A 16 8.851 -8.616 2.570 1.00 0.00 N ATOM 201 CA VAL A 16 8.279 -8.599 3.911 1.00 0.00 C ATOM 202 C VAL A 16 8.797 -7.411 4.714 1.00 0.00 C ATOM 203 O VAL A 16 9.995 -7.132 4.728 1.00 0.00 O ATOM 204 CB VAL A 16 8.599 -9.898 4.674 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.076 -9.822 6.100 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.014 -11.100 3.947 1.00 0.00 C ATOM 0 H VAL A 16 9.441 -9.424 2.373 1.00 0.00 H new ATOM 0 HA VAL A 16 7.199 -8.512 3.793 1.00 0.00 H new ATOM 0 HB VAL A 16 9.682 -10.018 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.311 -10.749 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.546 -8.984 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.996 -9.679 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.249 -12.009 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.932 -10.990 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.441 -11.163 2.946 1.00 0.00 H new ATOM 216 N GLY A 17 7.884 -6.713 5.384 1.00 0.00 N ATOM 217 CA GLY A 17 8.268 -5.563 6.181 1.00 0.00 C ATOM 218 C GLY A 17 7.794 -4.255 5.578 1.00 0.00 C ATOM 219 O GLY A 17 7.401 -3.338 6.299 1.00 0.00 O ATOM 0 H GLY A 17 6.886 -6.924 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.856 -5.667 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.353 -5.541 6.282 1.00 0.00 H new ATOM 223 N MET A 18 7.833 -4.169 4.253 1.00 0.00 N ATOM 224 CA MET A 18 7.404 -2.963 3.553 1.00 0.00 C ATOM 225 C MET A 18 5.916 -2.706 3.773 1.00 0.00 C ATOM 226 O MET A 18 5.067 -3.414 3.231 1.00 0.00 O ATOM 227 CB MET A 18 7.696 -3.084 2.056 1.00 0.00 C ATOM 228 CG MET A 18 9.160 -3.347 1.743 1.00 0.00 C ATOM 229 SD MET A 18 9.653 -2.700 0.134 1.00 0.00 S ATOM 230 CE MET A 18 9.062 -3.998 -0.949 1.00 0.00 C ATOM 0 H MET A 18 8.157 -4.919 3.642 1.00 0.00 H new ATOM 0 HA MET A 18 7.964 -2.120 3.958 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.093 -3.891 1.640 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.386 -2.166 1.558 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.780 -2.895 2.517 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.346 -4.421 1.771 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.356 -3.777 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.495 -4.951 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.975 -4.057 -0.887 1.00 0.00 H new ATOM 240 N LYS A 19 5.608 -1.690 4.572 1.00 0.00 N ATOM 241 CA LYS A 19 4.223 -1.339 4.864 1.00 0.00 C ATOM 242 C LYS A 19 3.584 -0.618 3.681 1.00 0.00 C ATOM 243 O LYS A 19 4.279 -0.046 2.840 1.00 0.00 O ATOM 244 CB LYS A 19 4.151 -0.457 6.112 1.00 0.00 C ATOM 245 CG LYS A 19 4.639 -1.148 7.374 1.00 0.00 C ATOM 246 CD LYS A 19 4.833 -0.159 8.512 1.00 0.00 C ATOM 247 CE LYS A 19 5.879 -0.647 9.502 1.00 0.00 C ATOM 248 NZ LYS A 19 5.476 -1.927 10.148 1.00 0.00 N ATOM 0 H LYS A 19 6.299 -1.095 5.029 1.00 0.00 H new ATOM 0 HA LYS A 19 3.671 -2.261 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.746 0.441 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.120 -0.134 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.921 -1.912 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.580 -1.658 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.135 0.807 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.885 -0.006 9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.830 -0.783 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.037 0.113 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.164 -2.174 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.533 -1.819 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.449 -2.683 9.434 1.00 0.00 H new ATOM 262 N LEU A 20 2.257 -0.647 3.624 1.00 0.00 N ATOM 263 CA LEU A 20 1.524 0.006 2.545 1.00 0.00 C ATOM 264 C LEU A 20 0.044 0.135 2.892 1.00 0.00 C ATOM 265 O LEU A 20 -0.404 -0.354 3.928 1.00 0.00 O ATOM 266 CB LEU A 20 1.687 -0.780 1.242 1.00 0.00 C ATOM 267 CG LEU A 20 0.855 -2.057 1.120 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.532 -2.346 -0.338 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.588 -3.233 1.749 1.00 0.00 C ATOM 0 H LEU A 20 1.667 -1.115 4.312 1.00 0.00 H new ATOM 0 HA LEU A 20 1.936 1.006 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.432 -0.123 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.739 -1.043 1.129 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.082 -1.910 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.061 -3.258 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.034 -1.514 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.459 -2.473 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.981 -4.133 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.541 -3.382 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.768 -3.027 2.804 1.00 0.00 H new ATOM 281 N GLU A 21 -0.709 0.793 2.016 1.00 0.00 N ATOM 282 CA GLU A 21 -2.138 0.984 2.231 1.00 0.00 C ATOM 283 C GLU A 21 -2.952 0.211 1.197 1.00 0.00 C ATOM 284 O GLU A 21 -2.723 0.331 -0.005 1.00 0.00 O ATOM 285 CB GLU A 21 -2.492 2.472 2.165 1.00 0.00 C ATOM 286 CG GLU A 21 -1.891 3.291 3.294 1.00 0.00 C ATOM 287 CD GLU A 21 -0.483 3.763 2.986 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.454 2.943 3.088 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.318 4.953 2.644 1.00 0.00 O ATOM 0 H GLU A 21 -0.353 1.202 1.152 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.384 0.602 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.150 2.876 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.576 2.580 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.526 4.156 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.879 2.693 4.205 1.00 0.00 H new ATOM 296 N GLY A 22 -3.903 -0.585 1.677 1.00 0.00 N ATOM 297 CA GLY A 22 -4.736 -1.368 0.782 1.00 0.00 C ATOM 298 C GLY A 22 -6.215 -1.136 1.016 1.00 0.00 C ATOM 299 O GLY A 22 -6.610 -0.575 2.038 1.00 0.00 O ATOM 0 H GLY A 22 -4.111 -0.702 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.491 -1.117 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.512 -2.426 0.915 1.00 0.00 H new ATOM 303 N VAL A 23 -7.038 -1.566 0.064 1.00 0.00 N ATOM 304 CA VAL A 23 -8.483 -1.401 0.170 1.00 0.00 C ATOM 305 C VAL A 23 -9.135 -2.643 0.769 1.00 0.00 C ATOM 306 O VAL A 23 -8.720 -3.768 0.493 1.00 0.00 O ATOM 307 CB VAL A 23 -9.117 -1.113 -1.203 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.615 -1.374 -1.165 1.00 0.00 C ATOM 309 CG2 VAL A 23 -8.828 0.317 -1.634 1.00 0.00 C ATOM 0 H VAL A 23 -6.728 -2.031 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.657 -0.549 0.828 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.673 -1.786 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.046 -1.165 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.796 -2.417 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.078 -0.728 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.284 0.503 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.243 1.009 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.750 0.465 -1.704 1.00 0.00 H new ATOM 319 N ASP A 24 -10.158 -2.430 1.588 1.00 0.00 N ATOM 320 CA ASP A 24 -10.870 -3.532 2.225 1.00 0.00 C ATOM 321 C ASP A 24 -11.830 -4.198 1.244 1.00 0.00 C ATOM 322 O ASP A 24 -12.483 -3.541 0.433 1.00 0.00 O ATOM 323 CB ASP A 24 -11.639 -3.031 3.449 1.00 0.00 C ATOM 324 CG ASP A 24 -11.780 -4.095 4.519 1.00 0.00 C ATOM 325 OD1 ASP A 24 -10.868 -4.211 5.365 1.00 0.00 O ATOM 326 OD2 ASP A 24 -12.802 -4.812 4.512 1.00 0.00 O ATOM 0 H ASP A 24 -10.513 -1.504 1.827 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.135 -4.270 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.126 -2.165 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.629 -2.697 3.140 1.00 0.00 H new ATOM 331 N PRO A 25 -11.917 -5.534 1.316 1.00 0.00 N ATOM 332 CA PRO A 25 -12.794 -6.319 0.442 1.00 0.00 C ATOM 333 C PRO A 25 -14.270 -6.107 0.759 1.00 0.00 C ATOM 334 O PRO A 25 -15.142 -6.706 0.130 1.00 0.00 O ATOM 335 CB PRO A 25 -12.386 -7.765 0.735 1.00 0.00 C ATOM 336 CG PRO A 25 -11.825 -7.727 2.115 1.00 0.00 C ATOM 337 CD PRO A 25 -11.168 -6.383 2.258 1.00 0.00 C ATOM 0 HA PRO A 25 -12.685 -6.035 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.241 -8.438 0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.648 -8.121 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.610 -7.859 2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.105 -8.531 2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.238 -6.008 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.108 -6.425 2.006 1.00 0.00 H new ATOM 345 N GLU A 26 -14.543 -5.251 1.740 1.00 0.00 N ATOM 346 CA GLU A 26 -15.915 -4.962 2.140 1.00 0.00 C ATOM 347 C GLU A 26 -16.409 -3.671 1.494 1.00 0.00 C ATOM 348 O GLU A 26 -17.607 -3.495 1.269 1.00 0.00 O ATOM 349 CB GLU A 26 -16.013 -4.853 3.663 1.00 0.00 C ATOM 350 CG GLU A 26 -15.848 -6.182 4.381 1.00 0.00 C ATOM 351 CD GLU A 26 -16.484 -6.184 5.757 1.00 0.00 C ATOM 352 OE1 GLU A 26 -17.709 -6.412 5.844 1.00 0.00 O ATOM 353 OE2 GLU A 26 -15.757 -5.959 6.748 1.00 0.00 O ATOM 0 H GLU A 26 -13.833 -4.747 2.271 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.546 -5.783 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.250 -4.160 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.980 -4.425 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.292 -6.974 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.786 -6.411 4.475 1.00 0.00 H new ATOM 360 N HIS A 27 -15.478 -2.770 1.198 1.00 0.00 N ATOM 361 CA HIS A 27 -15.818 -1.494 0.577 1.00 0.00 C ATOM 362 C HIS A 27 -14.655 -0.970 -0.259 1.00 0.00 C ATOM 363 O HIS A 27 -13.531 -0.856 0.227 1.00 0.00 O ATOM 364 CB HIS A 27 -16.197 -0.468 1.646 1.00 0.00 C ATOM 365 CG HIS A 27 -17.162 0.570 1.164 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.201 0.290 0.302 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.243 1.895 1.429 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.878 1.397 0.056 1.00 0.00 C ATOM 369 NE2 HIS A 27 -18.318 2.386 0.729 1.00 0.00 N ATOM 0 H HIS A 27 -14.482 -2.899 1.378 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.672 -1.654 -0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.632 -0.988 2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.292 0.026 2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.585 2.461 2.071 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.742 1.480 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -18.633 3.356 0.729 1.00 0.00 H new ATOM 378 N GLN A 28 -14.935 -0.654 -1.520 1.00 0.00 N ATOM 379 CA GLN A 28 -13.911 -0.143 -2.424 1.00 0.00 C ATOM 380 C GLN A 28 -13.745 1.364 -2.262 1.00 0.00 C ATOM 381 O GLN A 28 -13.324 2.055 -3.190 1.00 0.00 O ATOM 382 CB GLN A 28 -14.268 -0.476 -3.873 1.00 0.00 C ATOM 383 CG GLN A 28 -13.920 -1.901 -4.273 1.00 0.00 C ATOM 384 CD GLN A 28 -13.849 -2.084 -5.777 1.00 0.00 C ATOM 385 OE1 GLN A 28 -14.839 -1.899 -6.484 1.00 0.00 O ATOM 386 NE2 GLN A 28 -12.673 -2.449 -6.273 1.00 0.00 N ATOM 0 H GLN A 28 -15.861 -0.743 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.966 -0.623 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.336 -0.316 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.747 0.216 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.962 -2.174 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.666 -2.582 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.878 -2.591 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.564 -2.587 -7.278 1.00 0.00 H new ATOM 395 N SER A 29 -14.078 1.868 -1.078 1.00 0.00 N ATOM 396 CA SER A 29 -13.970 3.295 -0.797 1.00 0.00 C ATOM 397 C SER A 29 -13.108 3.541 0.438 1.00 0.00 C ATOM 398 O SER A 29 -12.541 4.620 0.608 1.00 0.00 O ATOM 399 CB SER A 29 -15.359 3.902 -0.592 1.00 0.00 C ATOM 400 OG SER A 29 -15.311 5.317 -0.651 1.00 0.00 O ATOM 0 H SER A 29 -14.425 1.310 -0.298 1.00 0.00 H new ATOM 0 HA SER A 29 -13.494 3.774 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.040 3.526 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.758 3.588 0.373 1.00 0.00 H new ATOM 0 HG SER A 29 -16.211 5.681 -0.519 1.00 0.00 H new ATOM 406 N VAL A 30 -13.013 2.531 1.297 1.00 0.00 N ATOM 407 CA VAL A 30 -12.220 2.636 2.515 1.00 0.00 C ATOM 408 C VAL A 30 -10.802 2.120 2.294 1.00 0.00 C ATOM 409 O VAL A 30 -10.599 1.091 1.649 1.00 0.00 O ATOM 410 CB VAL A 30 -12.864 1.852 3.674 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.954 1.854 4.892 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.228 2.434 4.017 1.00 0.00 C ATOM 0 H VAL A 30 -13.476 1.631 1.171 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.183 3.693 2.778 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.004 0.819 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.426 1.295 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.003 1.388 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.780 2.881 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.669 1.868 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.114 3.476 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.879 2.375 3.145 1.00 0.00 H new ATOM 422 N TYR A 31 -9.826 2.840 2.834 1.00 0.00 N ATOM 423 CA TYR A 31 -8.426 2.456 2.694 1.00 0.00 C ATOM 424 C TYR A 31 -7.816 2.117 4.051 1.00 0.00 C ATOM 425 O TYR A 31 -7.724 2.970 4.934 1.00 0.00 O ATOM 426 CB TYR A 31 -7.630 3.582 2.032 1.00 0.00 C ATOM 427 CG TYR A 31 -7.975 3.792 0.575 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.565 2.884 -0.394 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.711 4.897 0.167 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.876 3.072 -1.726 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.029 5.092 -1.163 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.609 4.177 -2.106 1.00 0.00 C ATOM 433 OH TYR A 31 -8.923 4.367 -3.432 1.00 0.00 O ATOM 0 H TYR A 31 -9.978 3.693 3.373 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.381 1.568 2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.808 4.510 2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.566 3.362 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.993 2.016 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.040 5.616 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.547 2.358 -2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.603 5.956 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.444 5.191 -3.530 1.00 0.00 H new ATOM 443 N CYS A 32 -7.401 0.865 4.208 1.00 0.00 N ATOM 444 CA CYS A 32 -6.799 0.410 5.457 1.00 0.00 C ATOM 445 C CYS A 32 -5.301 0.178 5.286 1.00 0.00 C ATOM 446 O CYS A 32 -4.839 -0.195 4.208 1.00 0.00 O ATOM 447 CB CYS A 32 -7.476 -0.876 5.935 1.00 0.00 C ATOM 448 SG CYS A 32 -7.304 -2.268 4.794 1.00 0.00 S ATOM 0 H CYS A 32 -7.470 0.147 3.487 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.944 1.188 6.206 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.056 -1.158 6.901 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.536 -0.679 6.093 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.422 -3.384 5.450 1.00 0.00 H new ATOM 454 N VAL A 33 -4.547 0.403 6.357 1.00 0.00 N ATOM 455 CA VAL A 33 -3.101 0.219 6.326 1.00 0.00 C ATOM 456 C VAL A 33 -2.729 -1.245 6.528 1.00 0.00 C ATOM 457 O VAL A 33 -3.089 -1.855 7.536 1.00 0.00 O ATOM 458 CB VAL A 33 -2.404 1.069 7.405 1.00 0.00 C ATOM 459 CG1 VAL A 33 -3.191 1.031 8.706 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.977 0.587 7.622 1.00 0.00 C ATOM 0 H VAL A 33 -4.914 0.713 7.257 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.761 0.544 5.343 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.367 2.103 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.683 1.637 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.193 1.427 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.262 0.002 9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.499 1.198 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.990 -0.454 7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.419 0.671 6.690 1.00 0.00 H new ATOM 470 N LEU A 34 -2.004 -1.804 5.565 1.00 0.00 N ATOM 471 CA LEU A 34 -1.582 -3.199 5.637 1.00 0.00 C ATOM 472 C LEU A 34 -0.062 -3.312 5.564 1.00 0.00 C ATOM 473 O LEU A 34 0.625 -2.362 5.186 1.00 0.00 O ATOM 474 CB LEU A 34 -2.220 -4.005 4.504 1.00 0.00 C ATOM 475 CG LEU A 34 -3.734 -3.862 4.349 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.152 -4.133 2.912 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.458 -4.801 5.303 1.00 0.00 C ATOM 0 H LEU A 34 -1.696 -1.313 4.726 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.913 -3.604 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.749 -3.711 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.989 -5.059 4.660 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.010 -2.838 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.233 -4.026 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.660 -3.421 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.863 -5.146 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.535 -4.686 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.175 -5.831 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.183 -4.560 6.330 1.00 0.00 H new ATOM 489 N THR A 35 0.457 -4.480 5.927 1.00 0.00 N ATOM 490 CA THR A 35 1.895 -4.718 5.902 1.00 0.00 C ATOM 491 C THR A 35 2.220 -6.055 5.245 1.00 0.00 C ATOM 492 O THR A 35 1.612 -7.078 5.561 1.00 0.00 O ATOM 493 CB THR A 35 2.493 -4.699 7.321 1.00 0.00 C ATOM 494 OG1 THR A 35 2.199 -3.450 7.959 1.00 0.00 O ATOM 495 CG2 THR A 35 3.999 -4.910 7.277 1.00 0.00 C ATOM 0 H THR A 35 -0.097 -5.276 6.242 1.00 0.00 H new ATOM 0 HA THR A 35 2.338 -3.911 5.318 1.00 0.00 H new ATOM 0 HB THR A 35 2.045 -5.513 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.581 -3.446 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.399 -4.893 8.291 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.218 -5.874 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.461 -4.115 6.691 1.00 0.00 H new ATOM 503 N VAL A 36 3.182 -6.040 4.328 1.00 0.00 N ATOM 504 CA VAL A 36 3.589 -7.252 3.627 1.00 0.00 C ATOM 505 C VAL A 36 4.203 -8.263 4.588 1.00 0.00 C ATOM 506 O VAL A 36 5.337 -8.097 5.039 1.00 0.00 O ATOM 507 CB VAL A 36 4.602 -6.940 2.509 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.870 -8.181 1.670 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.102 -5.797 1.640 1.00 0.00 C ATOM 0 H VAL A 36 3.694 -5.202 4.053 1.00 0.00 H new ATOM 0 HA VAL A 36 2.689 -7.678 3.183 1.00 0.00 H new ATOM 0 HB VAL A 36 5.541 -6.632 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.588 -7.942 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.276 -8.969 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.939 -8.523 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.830 -5.591 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.150 -6.074 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.967 -4.906 2.253 1.00 0.00 H new ATOM 519 N ALA A 37 3.448 -9.311 4.898 1.00 0.00 N ATOM 520 CA ALA A 37 3.920 -10.351 5.804 1.00 0.00 C ATOM 521 C ALA A 37 4.502 -11.530 5.032 1.00 0.00 C ATOM 522 O ALA A 37 5.449 -12.172 5.484 1.00 0.00 O ATOM 523 CB ALA A 37 2.787 -10.817 6.707 1.00 0.00 C ATOM 0 H ALA A 37 2.507 -9.463 4.535 1.00 0.00 H new ATOM 0 HA ALA A 37 4.713 -9.928 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.153 -11.594 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.419 -9.975 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.977 -11.217 6.097 1.00 0.00 H new ATOM 529 N GLU A 38 3.929 -11.808 3.865 1.00 0.00 N ATOM 530 CA GLU A 38 4.391 -12.912 3.031 1.00 0.00 C ATOM 531 C GLU A 38 4.263 -12.566 1.551 1.00 0.00 C ATOM 532 O GLU A 38 3.354 -11.840 1.147 1.00 0.00 O ATOM 533 CB GLU A 38 3.595 -14.182 3.340 1.00 0.00 C ATOM 534 CG GLU A 38 4.366 -15.463 3.070 1.00 0.00 C ATOM 535 CD GLU A 38 5.670 -15.533 3.841 1.00 0.00 C ATOM 536 OE1 GLU A 38 5.626 -15.797 5.060 1.00 0.00 O ATOM 537 OE2 GLU A 38 6.735 -15.323 3.223 1.00 0.00 O ATOM 0 H GLU A 38 3.145 -11.285 3.476 1.00 0.00 H new ATOM 0 HA GLU A 38 5.443 -13.088 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.291 -14.165 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.683 -14.184 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.745 -16.319 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.575 -15.539 2.003 1.00 0.00 H new ATOM 544 N VAL A 39 5.181 -13.090 0.745 1.00 0.00 N ATOM 545 CA VAL A 39 5.172 -12.837 -0.691 1.00 0.00 C ATOM 546 C VAL A 39 5.439 -14.117 -1.476 1.00 0.00 C ATOM 547 O VAL A 39 6.398 -14.838 -1.198 1.00 0.00 O ATOM 548 CB VAL A 39 6.222 -11.780 -1.082 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.208 -11.544 -2.585 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.975 -10.482 -0.328 1.00 0.00 C ATOM 0 H VAL A 39 5.941 -13.692 1.062 1.00 0.00 H new ATOM 0 HA VAL A 39 4.179 -12.461 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 39 7.209 -12.152 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.956 -10.794 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.436 -12.476 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.222 -11.192 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.725 -9.746 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.983 -10.103 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.040 -10.666 0.744 1.00 0.00 H new ATOM 560 N CYS A 40 4.586 -14.392 -2.456 1.00 0.00 N ATOM 561 CA CYS A 40 4.730 -15.586 -3.282 1.00 0.00 C ATOM 562 C CYS A 40 3.976 -15.430 -4.598 1.00 0.00 C ATOM 563 O CYS A 40 3.028 -14.652 -4.694 1.00 0.00 O ATOM 564 CB CYS A 40 4.220 -16.816 -2.530 1.00 0.00 C ATOM 565 SG CYS A 40 4.870 -18.384 -3.152 1.00 0.00 S ATOM 0 H CYS A 40 3.788 -13.805 -2.698 1.00 0.00 H new ATOM 0 HA CYS A 40 5.789 -15.719 -3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.482 -16.719 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.132 -16.838 -2.587 1.00 0.00 H new ATOM 0 HG CYS A 40 4.383 -19.364 -2.451 1.00 0.00 H new ATOM 571 N GLY A 41 4.404 -16.176 -5.612 1.00 0.00 N ATOM 572 CA GLY A 41 3.759 -16.105 -6.910 1.00 0.00 C ATOM 573 C GLY A 41 3.434 -14.682 -7.318 1.00 0.00 C ATOM 574 O GLY A 41 4.125 -13.742 -6.925 1.00 0.00 O ATOM 0 H GLY A 41 5.186 -16.828 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.409 -16.556 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.841 -16.692 -6.889 1.00 0.00 H new ATOM 578 N TYR A 42 2.379 -14.522 -8.110 1.00 0.00 N ATOM 579 CA TYR A 42 1.966 -13.204 -8.576 1.00 0.00 C ATOM 580 C TYR A 42 1.001 -12.555 -7.588 1.00 0.00 C ATOM 581 O TYR A 42 0.121 -11.788 -7.976 1.00 0.00 O ATOM 582 CB TYR A 42 1.309 -13.309 -9.953 1.00 0.00 C ATOM 583 CG TYR A 42 1.182 -11.982 -10.667 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.310 -11.277 -11.068 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.065 -11.433 -10.939 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.200 -10.064 -11.720 1.00 0.00 C ATOM 587 CE2 TYR A 42 -0.185 -10.222 -11.591 1.00 0.00 C ATOM 588 CZ TYR A 42 0.950 -9.541 -11.979 1.00 0.00 C ATOM 589 OH TYR A 42 0.835 -8.333 -12.628 1.00 0.00 O ATOM 0 H TYR A 42 1.795 -15.289 -8.442 1.00 0.00 H new ATOM 0 HA TYR A 42 2.855 -12.579 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.891 -13.991 -10.573 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.318 -13.748 -9.841 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.290 -11.684 -10.867 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.956 -11.963 -10.635 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.087 -9.529 -12.025 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.162 -9.810 -11.796 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.113 -8.107 -12.733 1.00 0.00 H new ATOM 599 N ARG A 43 1.176 -12.869 -6.308 1.00 0.00 N ATOM 600 CA ARG A 43 0.321 -12.318 -5.263 1.00 0.00 C ATOM 601 C ARG A 43 1.133 -11.993 -4.012 1.00 0.00 C ATOM 602 O ARG A 43 2.275 -12.432 -3.870 1.00 0.00 O ATOM 603 CB ARG A 43 -0.797 -13.303 -4.917 1.00 0.00 C ATOM 604 CG ARG A 43 -1.921 -13.331 -5.940 1.00 0.00 C ATOM 605 CD ARG A 43 -2.780 -14.577 -5.788 1.00 0.00 C ATOM 606 NE ARG A 43 -2.101 -15.774 -6.277 1.00 0.00 N ATOM 607 CZ ARG A 43 -2.429 -17.007 -5.910 1.00 0.00 C ATOM 608 NH1 ARG A 43 -3.424 -17.205 -5.055 1.00 0.00 N ATOM 609 NH2 ARG A 43 -1.763 -18.046 -6.398 1.00 0.00 N ATOM 0 H ARG A 43 1.901 -13.501 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.121 -11.395 -5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.374 -14.303 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.210 -13.043 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.542 -12.443 -5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.501 -13.297 -6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.041 -14.712 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.714 -14.442 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.332 -15.656 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.939 -16.409 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.674 -18.153 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.998 -17.898 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.016 -18.993 -6.115 1.00 0.00 H new ATOM 623 N ILE A 44 0.536 -11.223 -3.109 1.00 0.00 N ATOM 624 CA ILE A 44 1.203 -10.841 -1.871 1.00 0.00 C ATOM 625 C ILE A 44 0.246 -10.914 -0.686 1.00 0.00 C ATOM 626 O ILE A 44 -0.927 -10.555 -0.797 1.00 0.00 O ATOM 627 CB ILE A 44 1.783 -9.417 -1.961 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.701 -8.429 -2.402 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.962 -9.385 -2.922 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.089 -6.980 -2.205 1.00 0.00 C ATOM 0 H ILE A 44 -0.408 -10.851 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 44 2.019 -11.548 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 44 2.137 -9.121 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.475 -8.596 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.213 -8.631 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.361 -8.372 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.739 -10.063 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.632 -9.697 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.275 -6.337 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.287 -6.797 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.986 -6.761 -2.785 1.00 0.00 H new ATOM 642 N LYS A 45 0.755 -11.380 0.450 1.00 0.00 N ATOM 643 CA LYS A 45 -0.052 -11.498 1.658 1.00 0.00 C ATOM 644 C LYS A 45 -0.222 -10.141 2.334 1.00 0.00 C ATOM 645 O LYS A 45 0.738 -9.381 2.474 1.00 0.00 O ATOM 646 CB LYS A 45 0.591 -12.488 2.632 1.00 0.00 C ATOM 647 CG LYS A 45 -0.314 -12.883 3.785 1.00 0.00 C ATOM 648 CD LYS A 45 0.276 -14.028 4.591 1.00 0.00 C ATOM 649 CE LYS A 45 -0.754 -14.639 5.528 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.145 -15.649 6.438 1.00 0.00 N ATOM 0 H LYS A 45 1.723 -11.682 0.559 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.037 -11.867 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.881 -13.385 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.505 -12.049 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.472 -12.023 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.291 -13.174 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.653 -14.794 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.126 -13.667 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.220 -13.851 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.545 -15.108 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.879 -16.042 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.277 -16.414 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.593 -15.196 7.015 1.00 0.00 H new ATOM 664 N LEU A 46 -1.446 -9.842 2.754 1.00 0.00 N ATOM 665 CA LEU A 46 -1.741 -8.577 3.417 1.00 0.00 C ATOM 666 C LEU A 46 -2.165 -8.807 4.864 1.00 0.00 C ATOM 667 O LEU A 46 -3.092 -9.571 5.137 1.00 0.00 O ATOM 668 CB LEU A 46 -2.841 -7.828 2.664 1.00 0.00 C ATOM 669 CG LEU A 46 -2.433 -7.196 1.333 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.519 -6.003 1.566 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.753 -8.224 0.441 1.00 0.00 C ATOM 0 H LEU A 46 -2.251 -10.459 2.647 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.833 -7.974 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.662 -8.520 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.227 -7.042 3.313 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.333 -6.845 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.239 -5.566 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.040 -5.257 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.622 -6.329 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.469 -7.757 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.862 -8.605 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.440 -9.047 0.246 1.00 0.00 H new ATOM 683 N HIS A 47 -1.482 -8.139 5.789 1.00 0.00 N ATOM 684 CA HIS A 47 -1.791 -8.268 7.209 1.00 0.00 C ATOM 685 C HIS A 47 -2.354 -6.963 7.763 1.00 0.00 C ATOM 686 O HIS A 47 -1.812 -5.886 7.515 1.00 0.00 O ATOM 687 CB HIS A 47 -0.539 -8.669 7.989 1.00 0.00 C ATOM 688 CG HIS A 47 -0.670 -8.483 9.469 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.380 -9.346 10.277 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.177 -7.524 10.288 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.318 -8.927 11.528 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.594 -7.823 11.562 1.00 0.00 N ATOM 0 H HIS A 47 -0.712 -7.504 5.581 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.546 -9.046 7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.311 -9.714 7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.306 -8.081 7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.431 -6.681 9.994 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.781 -9.406 12.378 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.379 -7.280 12.399 1.00 0.00 H new ATOM 701 N PHE A 48 -3.445 -7.067 8.514 1.00 0.00 N ATOM 702 CA PHE A 48 -4.083 -5.895 9.102 1.00 0.00 C ATOM 703 C PHE A 48 -3.410 -5.512 10.417 1.00 0.00 C ATOM 704 O PHE A 48 -3.462 -6.259 11.394 1.00 0.00 O ATOM 705 CB PHE A 48 -5.572 -6.162 9.337 1.00 0.00 C ATOM 706 CG PHE A 48 -6.421 -5.933 8.120 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.527 -6.906 7.139 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.114 -4.744 7.956 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.308 -6.699 6.018 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.897 -4.531 6.837 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.993 -5.509 5.866 1.00 0.00 C ATOM 0 H PHE A 48 -3.906 -7.951 8.730 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.976 -5.065 8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.700 -7.192 9.671 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.925 -5.519 10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.993 -7.838 7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.041 -3.975 8.711 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.383 -7.466 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.433 -3.601 6.722 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.602 -5.344 4.990 1.00 0.00 H new ATOM 721 N ASP A 49 -2.779 -4.343 10.432 1.00 0.00 N ATOM 722 CA ASP A 49 -2.095 -3.860 11.626 1.00 0.00 C ATOM 723 C ASP A 49 -3.080 -3.665 12.775 1.00 0.00 C ATOM 724 O ASP A 49 -3.924 -2.772 12.738 1.00 0.00 O ATOM 725 CB ASP A 49 -1.374 -2.544 11.329 1.00 0.00 C ATOM 726 CG ASP A 49 -2.335 -1.417 11.007 1.00 0.00 C ATOM 727 OD1 ASP A 49 -3.400 -1.696 10.418 1.00 0.00 O ATOM 728 OD2 ASP A 49 -2.021 -0.255 11.343 1.00 0.00 O ATOM 0 H ASP A 49 -2.727 -3.713 9.632 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.361 -4.609 11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.766 -2.264 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.693 -2.688 10.490 1.00 0.00 H new ATOM 733 N GLY A 50 -2.966 -4.511 13.795 1.00 0.00 N ATOM 734 CA GLY A 50 -3.853 -4.416 14.940 1.00 0.00 C ATOM 735 C GLY A 50 -4.850 -5.556 14.997 1.00 0.00 C ATOM 736 O GLY A 50 -4.990 -6.217 16.026 1.00 0.00 O ATOM 0 H GLY A 50 -2.276 -5.260 13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.261 -4.409 15.855 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.391 -3.469 14.902 1.00 0.00 H new ATOM 740 N TYR A 51 -5.545 -5.787 13.889 1.00 0.00 N ATOM 741 CA TYR A 51 -6.538 -6.853 13.818 1.00 0.00 C ATOM 742 C TYR A 51 -5.870 -8.224 13.874 1.00 0.00 C ATOM 743 O TYR A 51 -4.653 -8.328 14.027 1.00 0.00 O ATOM 744 CB TYR A 51 -7.361 -6.727 12.535 1.00 0.00 C ATOM 745 CG TYR A 51 -8.222 -5.485 12.488 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.513 -5.491 13.002 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.745 -4.306 11.928 1.00 0.00 C ATOM 748 CE1 TYR A 51 -10.303 -4.358 12.961 1.00 0.00 C ATOM 749 CE2 TYR A 51 -8.528 -3.169 11.883 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.806 -3.200 12.401 1.00 0.00 C ATOM 751 OH TYR A 51 -10.589 -2.069 12.357 1.00 0.00 O ATOM 0 H TYR A 51 -5.439 -5.251 13.028 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.201 -6.756 14.678 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.686 -6.724 11.679 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.999 -7.605 12.435 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.906 -6.396 13.441 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.745 -4.278 11.521 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.304 -4.379 13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.142 -2.261 11.445 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.089 -1.341 11.932 1.00 0.00 H new ATOM 761 N SER A 52 -6.676 -9.273 13.749 1.00 0.00 N ATOM 762 CA SER A 52 -6.166 -10.639 13.789 1.00 0.00 C ATOM 763 C SER A 52 -5.685 -11.079 12.409 1.00 0.00 C ATOM 764 O SER A 52 -6.381 -10.898 11.410 1.00 0.00 O ATOM 765 CB SER A 52 -7.247 -11.596 14.293 1.00 0.00 C ATOM 766 OG SER A 52 -6.675 -12.782 14.817 1.00 0.00 O ATOM 0 H SER A 52 -7.685 -9.204 13.619 1.00 0.00 H new ATOM 0 HA SER A 52 -5.320 -10.665 14.476 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.842 -11.105 15.063 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.925 -11.845 13.477 1.00 0.00 H new ATOM 0 HG SER A 52 -7.387 -13.376 15.134 1.00 0.00 H new ATOM 772 N ASP A 53 -4.490 -11.657 12.363 1.00 0.00 N ATOM 773 CA ASP A 53 -3.914 -12.125 11.108 1.00 0.00 C ATOM 774 C ASP A 53 -4.915 -12.980 10.336 1.00 0.00 C ATOM 775 O ASP A 53 -4.981 -12.920 9.108 1.00 0.00 O ATOM 776 CB ASP A 53 -2.639 -12.926 11.374 1.00 0.00 C ATOM 777 CG ASP A 53 -2.884 -14.124 12.271 1.00 0.00 C ATOM 778 OD1 ASP A 53 -3.154 -13.919 13.473 1.00 0.00 O ATOM 779 OD2 ASP A 53 -2.807 -15.265 11.771 1.00 0.00 O ATOM 0 H ASP A 53 -3.901 -11.813 13.181 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.666 -11.253 10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.222 -13.265 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.895 -12.277 11.835 1.00 0.00 H new ATOM 784 N CYS A 54 -5.692 -13.775 11.065 1.00 0.00 N ATOM 785 CA CYS A 54 -6.688 -14.643 10.449 1.00 0.00 C ATOM 786 C CYS A 54 -7.460 -13.901 9.362 1.00 0.00 C ATOM 787 O CYS A 54 -7.926 -14.504 8.396 1.00 0.00 O ATOM 788 CB CYS A 54 -7.657 -15.174 11.507 1.00 0.00 C ATOM 789 SG CYS A 54 -6.873 -16.186 12.784 1.00 0.00 S ATOM 0 H CYS A 54 -5.651 -13.836 12.082 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.167 -15.483 9.990 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.157 -14.330 11.983 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.429 -15.764 11.014 1.00 0.00 H new ATOM 0 HG CYS A 54 -7.772 -16.586 13.633 1.00 0.00 H new ATOM 795 N TYR A 55 -7.591 -12.590 9.529 1.00 0.00 N ATOM 796 CA TYR A 55 -8.310 -11.765 8.565 1.00 0.00 C ATOM 797 C TYR A 55 -7.370 -11.256 7.476 1.00 0.00 C ATOM 798 O TYR A 55 -7.571 -10.175 6.923 1.00 0.00 O ATOM 799 CB TYR A 55 -8.978 -10.584 9.270 1.00 0.00 C ATOM 800 CG TYR A 55 -10.148 -10.982 10.141 1.00 0.00 C ATOM 801 CD1 TYR A 55 -11.170 -11.781 9.643 1.00 0.00 C ATOM 802 CD2 TYR A 55 -10.232 -10.559 11.462 1.00 0.00 C ATOM 803 CE1 TYR A 55 -12.241 -12.146 10.435 1.00 0.00 C ATOM 804 CE2 TYR A 55 -11.299 -10.921 12.261 1.00 0.00 C ATOM 805 CZ TYR A 55 -12.301 -11.714 11.743 1.00 0.00 C ATOM 806 OH TYR A 55 -13.366 -12.077 12.536 1.00 0.00 O ATOM 0 H TYR A 55 -7.209 -12.076 10.323 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.078 -12.382 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.237 -10.071 9.883 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.320 -9.870 8.520 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.126 -12.122 8.619 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.450 -9.937 11.871 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.028 -12.767 10.032 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.348 -10.585 13.286 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.255 -11.691 13.430 1.00 0.00 H new ATOM 816 N ASP A 56 -6.345 -12.045 7.172 1.00 0.00 N ATOM 817 CA ASP A 56 -5.374 -11.677 6.148 1.00 0.00 C ATOM 818 C ASP A 56 -5.771 -12.251 4.792 1.00 0.00 C ATOM 819 O ASP A 56 -6.250 -13.382 4.701 1.00 0.00 O ATOM 820 CB ASP A 56 -3.980 -12.170 6.537 1.00 0.00 C ATOM 821 CG ASP A 56 -3.963 -13.646 6.881 1.00 0.00 C ATOM 822 OD1 ASP A 56 -4.743 -14.407 6.271 1.00 0.00 O ATOM 823 OD2 ASP A 56 -3.168 -14.042 7.759 1.00 0.00 O ATOM 0 H ASP A 56 -6.165 -12.943 7.620 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.358 -10.590 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.289 -11.984 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.620 -11.597 7.391 1.00 0.00 H new ATOM 828 N PHE A 57 -5.570 -11.464 3.740 1.00 0.00 N ATOM 829 CA PHE A 57 -5.908 -11.893 2.388 1.00 0.00 C ATOM 830 C PHE A 57 -4.773 -11.580 1.418 1.00 0.00 C ATOM 831 O PHE A 57 -3.873 -10.800 1.730 1.00 0.00 O ATOM 832 CB PHE A 57 -7.196 -11.212 1.922 1.00 0.00 C ATOM 833 CG PHE A 57 -7.162 -9.716 2.046 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.237 -8.969 1.334 1.00 0.00 C ATOM 835 CD2 PHE A 57 -8.054 -9.055 2.875 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.202 -7.592 1.445 1.00 0.00 C ATOM 837 CE2 PHE A 57 -8.024 -7.678 2.990 1.00 0.00 C ATOM 838 CZ PHE A 57 -7.097 -6.946 2.276 1.00 0.00 C ATOM 0 H PHE A 57 -5.175 -10.526 3.798 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.061 -12.972 2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.382 -11.478 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.033 -11.598 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.534 -9.469 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.781 -9.622 3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.477 -7.022 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.726 -7.175 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.071 -5.870 2.367 1.00 0.00 H new ATOM 848 N TRP A 58 -4.823 -12.194 0.241 1.00 0.00 N ATOM 849 CA TRP A 58 -3.799 -11.981 -0.775 1.00 0.00 C ATOM 850 C TRP A 58 -4.352 -11.173 -1.944 1.00 0.00 C ATOM 851 O TRP A 58 -5.366 -11.538 -2.539 1.00 0.00 O ATOM 852 CB TRP A 58 -3.262 -13.323 -1.276 1.00 0.00 C ATOM 853 CG TRP A 58 -2.482 -14.074 -0.240 1.00 0.00 C ATOM 854 CD1 TRP A 58 -2.952 -14.561 0.947 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.095 -14.423 -0.297 1.00 0.00 C ATOM 856 NE1 TRP A 58 -1.940 -15.191 1.630 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.791 -15.121 0.888 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.080 -14.216 -1.235 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.485 -15.609 1.158 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.186 -14.701 -0.966 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.459 -15.392 0.222 1.00 0.00 C ATOM 0 H TRP A 58 -5.561 -12.843 -0.033 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.984 -11.418 -0.321 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.097 -13.939 -1.609 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.627 -13.151 -2.145 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.969 -14.465 1.297 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.030 -15.638 2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.281 -13.686 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.698 -16.140 2.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.978 -14.545 -1.683 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.458 -15.761 0.402 1.00 0.00 H new ATOM 872 N VAL A 59 -3.679 -10.073 -2.269 1.00 0.00 N ATOM 873 CA VAL A 59 -4.103 -9.214 -3.368 1.00 0.00 C ATOM 874 C VAL A 59 -3.187 -9.376 -4.576 1.00 0.00 C ATOM 875 O VAL A 59 -2.171 -10.066 -4.510 1.00 0.00 O ATOM 876 CB VAL A 59 -4.122 -7.733 -2.947 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.987 -7.540 -1.711 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.707 -7.231 -2.701 1.00 0.00 C ATOM 0 H VAL A 59 -2.838 -9.756 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.114 -9.520 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.555 -7.148 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.988 -6.487 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.007 -7.859 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.587 -8.135 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.739 -6.183 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.245 -7.819 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.121 -7.332 -3.615 1.00 0.00 H new ATOM 888 N ASN A 60 -3.555 -8.734 -5.680 1.00 0.00 N ATOM 889 CA ASN A 60 -2.766 -8.807 -6.905 1.00 0.00 C ATOM 890 C ASN A 60 -1.505 -7.956 -6.791 1.00 0.00 C ATOM 891 O ASN A 60 -1.572 -6.767 -6.480 1.00 0.00 O ATOM 892 CB ASN A 60 -3.601 -8.345 -8.101 1.00 0.00 C ATOM 893 CG ASN A 60 -4.906 -9.107 -8.225 1.00 0.00 C ATOM 894 OD1 ASN A 60 -4.957 -10.314 -7.989 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.969 -8.404 -8.598 1.00 0.00 N ATOM 0 H ASN A 60 -4.394 -8.158 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.469 -9.845 -7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.813 -7.280 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.022 -8.471 -9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.874 -8.863 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.880 -7.405 -8.783 1.00 0.00 H new ATOM 902 N ALA A 61 -0.356 -8.574 -7.046 1.00 0.00 N ATOM 903 CA ALA A 61 0.920 -7.873 -6.975 1.00 0.00 C ATOM 904 C ALA A 61 0.825 -6.493 -7.617 1.00 0.00 C ATOM 905 O ALA A 61 1.474 -5.546 -7.173 1.00 0.00 O ATOM 906 CB ALA A 61 2.011 -8.695 -7.645 1.00 0.00 C ATOM 0 H ALA A 61 -0.283 -9.558 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 61 1.175 -7.739 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.959 -8.160 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.104 -9.656 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.753 -8.859 -8.691 1.00 0.00 H new ATOM 912 N ASP A 62 0.013 -6.387 -8.663 1.00 0.00 N ATOM 913 CA ASP A 62 -0.167 -5.122 -9.365 1.00 0.00 C ATOM 914 C ASP A 62 -1.597 -4.612 -9.209 1.00 0.00 C ATOM 915 O ASP A 62 -2.198 -4.120 -10.163 1.00 0.00 O ATOM 916 CB ASP A 62 0.170 -5.285 -10.848 1.00 0.00 C ATOM 917 CG ASP A 62 -0.117 -4.030 -11.649 1.00 0.00 C ATOM 918 OD1 ASP A 62 -0.208 -2.944 -11.039 1.00 0.00 O ATOM 919 OD2 ASP A 62 -0.250 -4.134 -12.886 1.00 0.00 O ATOM 0 H ASP A 62 -0.531 -7.162 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 62 0.511 -4.391 -8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.223 -5.546 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.405 -6.114 -11.259 1.00 0.00 H new ATOM 924 N ALA A 63 -2.135 -4.735 -8.000 1.00 0.00 N ATOM 925 CA ALA A 63 -3.493 -4.286 -7.719 1.00 0.00 C ATOM 926 C ALA A 63 -3.591 -2.766 -7.778 1.00 0.00 C ATOM 927 O ALA A 63 -2.661 -2.057 -7.391 1.00 0.00 O ATOM 928 CB ALA A 63 -3.945 -4.794 -6.358 1.00 0.00 C ATOM 0 H ALA A 63 -1.651 -5.142 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.151 -4.696 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.961 -4.451 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.922 -5.884 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.277 -4.411 -5.587 1.00 0.00 H new ATOM 934 N LEU A 64 -4.723 -2.270 -8.266 1.00 0.00 N ATOM 935 CA LEU A 64 -4.943 -0.832 -8.377 1.00 0.00 C ATOM 936 C LEU A 64 -5.450 -0.255 -7.059 1.00 0.00 C ATOM 937 O LEU A 64 -5.022 0.818 -6.634 1.00 0.00 O ATOM 938 CB LEU A 64 -5.944 -0.534 -9.495 1.00 0.00 C ATOM 939 CG LEU A 64 -5.563 -1.034 -10.888 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.713 -0.830 -11.862 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.310 -0.328 -11.384 1.00 0.00 C ATOM 0 H LEU A 64 -5.502 -2.842 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.989 -0.361 -8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.903 -0.974 -9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.091 0.545 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.353 -2.102 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.423 -1.192 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.586 -1.383 -11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.955 0.231 -11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.054 -0.697 -12.377 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.492 0.746 -11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.485 -0.526 -10.699 1.00 0.00 H new ATOM 953 N ASP A 65 -6.361 -0.976 -6.415 1.00 0.00 N ATOM 954 CA ASP A 65 -6.923 -0.538 -5.143 1.00 0.00 C ATOM 955 C ASP A 65 -5.818 -0.189 -4.151 1.00 0.00 C ATOM 956 O ASP A 65 -5.890 0.826 -3.458 1.00 0.00 O ATOM 957 CB ASP A 65 -7.825 -1.627 -4.558 1.00 0.00 C ATOM 958 CG ASP A 65 -8.597 -2.375 -5.626 1.00 0.00 C ATOM 959 OD1 ASP A 65 -9.347 -1.724 -6.383 1.00 0.00 O ATOM 960 OD2 ASP A 65 -8.450 -3.613 -5.706 1.00 0.00 O ATOM 0 H ASP A 65 -6.726 -1.866 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.518 0.357 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.217 -2.333 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.526 -1.176 -3.856 1.00 0.00 H new ATOM 965 N ILE A 66 -4.796 -1.037 -4.090 1.00 0.00 N ATOM 966 CA ILE A 66 -3.676 -0.817 -3.183 1.00 0.00 C ATOM 967 C ILE A 66 -2.863 0.405 -3.599 1.00 0.00 C ATOM 968 O ILE A 66 -2.860 0.793 -4.768 1.00 0.00 O ATOM 969 CB ILE A 66 -2.746 -2.044 -3.130 1.00 0.00 C ATOM 970 CG1 ILE A 66 -2.195 -2.355 -4.523 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.488 -3.247 -2.567 1.00 0.00 C ATOM 972 CD1 ILE A 66 -1.113 -3.411 -4.523 1.00 0.00 C ATOM 0 H ILE A 66 -4.721 -1.881 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.100 -0.649 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.908 -1.818 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.013 -2.685 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.797 -1.439 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.818 -4.106 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.835 -3.021 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.343 -3.477 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.770 -3.580 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.277 -3.075 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.511 -4.340 -4.116 1.00 0.00 H new ATOM 984 N HIS A 67 -2.174 1.006 -2.635 1.00 0.00 N ATOM 985 CA HIS A 67 -1.355 2.183 -2.901 1.00 0.00 C ATOM 986 C HIS A 67 -0.175 2.254 -1.936 1.00 0.00 C ATOM 987 O HIS A 67 -0.223 1.737 -0.820 1.00 0.00 O ATOM 988 CB HIS A 67 -2.198 3.454 -2.788 1.00 0.00 C ATOM 989 CG HIS A 67 -3.144 3.648 -3.933 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.746 4.117 -5.167 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.477 3.433 -4.026 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.793 4.184 -5.969 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.856 3.773 -5.301 1.00 0.00 N ATOM 0 H HIS A 67 -2.166 0.698 -1.663 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.967 2.102 -3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.767 3.422 -1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.534 4.316 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.122 3.063 -3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.782 4.518 -6.996 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.804 3.717 -5.672 1.00 0.00 H new ATOM 1002 N PRO A 68 0.911 2.907 -2.375 1.00 0.00 N ATOM 1003 CA PRO A 68 2.124 3.060 -1.565 1.00 0.00 C ATOM 1004 C PRO A 68 1.916 4.000 -0.382 1.00 0.00 C ATOM 1005 O PRO A 68 0.959 4.774 -0.352 1.00 0.00 O ATOM 1006 CB PRO A 68 3.134 3.655 -2.549 1.00 0.00 C ATOM 1007 CG PRO A 68 2.303 4.352 -3.571 1.00 0.00 C ATOM 1008 CD PRO A 68 1.039 3.547 -3.695 1.00 0.00 C ATOM 0 HA PRO A 68 2.442 2.115 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.811 4.348 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.750 2.878 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.086 5.375 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.825 4.409 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.180 4.180 -3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.109 2.809 -4.494 1.00 0.00 H new ATOM 1016 N VAL A 69 2.819 3.927 0.591 1.00 0.00 N ATOM 1017 CA VAL A 69 2.735 4.772 1.776 1.00 0.00 C ATOM 1018 C VAL A 69 2.737 6.249 1.398 1.00 0.00 C ATOM 1019 O VAL A 69 3.413 6.659 0.456 1.00 0.00 O ATOM 1020 CB VAL A 69 3.902 4.499 2.743 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.786 5.376 3.981 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.945 3.027 3.124 1.00 0.00 C ATOM 0 H VAL A 69 3.617 3.291 0.582 1.00 0.00 H new ATOM 0 HA VAL A 69 1.796 4.528 2.274 1.00 0.00 H new ATOM 0 HB VAL A 69 4.835 4.747 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.619 5.169 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.809 6.425 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.847 5.163 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.776 2.852 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.010 2.750 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.080 2.423 2.227 1.00 0.00 H new ATOM 1032 N GLY A 70 1.974 7.046 2.142 1.00 0.00 N ATOM 1033 CA GLY A 70 1.903 8.469 1.870 1.00 0.00 C ATOM 1034 C GLY A 70 1.199 8.775 0.563 1.00 0.00 C ATOM 1035 O GLY A 70 1.581 9.701 -0.153 1.00 0.00 O ATOM 0 H GLY A 70 1.405 6.731 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.379 8.966 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.912 8.881 1.841 1.00 0.00 H new ATOM 1039 N TRP A 71 0.170 7.996 0.250 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.587 8.187 -0.981 1.00 0.00 C ATOM 1041 C TRP A 71 -1.781 9.106 -0.749 1.00 0.00 C ATOM 1042 O TRP A 71 -2.054 10.000 -1.551 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.063 6.840 -1.527 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.797 6.952 -2.829 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.252 7.189 -4.059 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.209 6.833 -3.029 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.241 7.224 -5.012 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.451 7.008 -4.406 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.293 6.594 -2.180 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -4.731 6.953 -4.950 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.564 6.539 -2.722 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -5.774 6.717 -4.096 1.00 0.00 C ATOM 0 H TRP A 71 -0.159 7.226 0.832 1.00 0.00 H new ATOM 0 HA TRP A 71 0.071 8.655 -1.713 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.202 6.185 -1.659 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.713 6.367 -0.791 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.199 7.328 -4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.098 7.385 -6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.141 6.455 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.895 7.092 -6.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.409 6.356 -2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.779 6.667 -4.489 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.489 8.882 0.352 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.655 9.690 0.690 1.00 0.00 C ATOM 1065 C CYS A 72 -3.303 11.174 0.703 1.00 0.00 C ATOM 1066 O CYS A 72 -4.127 12.020 0.358 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.214 9.274 2.052 1.00 0.00 C ATOM 1068 SG CYS A 72 -2.964 9.139 3.352 1.00 0.00 S ATOM 0 H CYS A 72 -2.276 8.147 1.026 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.415 9.522 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.967 9.999 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.720 8.314 1.948 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.533 8.785 4.466 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.074 11.482 1.105 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.614 12.864 1.165 1.00 0.00 C ATOM 1076 C GLU A 73 -1.070 13.316 -0.187 1.00 0.00 C ATOM 1077 O GLU A 73 -1.103 14.502 -0.518 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.535 13.020 2.239 1.00 0.00 C ATOM 1079 CG GLU A 73 -1.088 13.358 3.613 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.408 12.124 4.433 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -0.701 11.107 4.277 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -2.366 12.175 5.233 1.00 0.00 O ATOM 0 H GLU A 73 -1.379 10.793 1.394 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.467 13.492 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.037 12.094 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.159 13.803 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.364 13.970 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.991 13.958 3.500 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.570 12.363 -0.966 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.019 12.660 -2.283 1.00 0.00 C ATOM 1091 C LYS A 74 -1.122 13.069 -3.254 1.00 0.00 C ATOM 1092 O LYS A 74 -0.991 14.055 -3.980 1.00 0.00 O ATOM 1093 CB LYS A 74 0.733 11.445 -2.830 1.00 0.00 C ATOM 1094 CG LYS A 74 1.231 11.628 -4.253 1.00 0.00 C ATOM 1095 CD LYS A 74 1.319 10.301 -4.988 1.00 0.00 C ATOM 1096 CE LYS A 74 2.101 10.435 -6.286 1.00 0.00 C ATOM 1097 NZ LYS A 74 2.320 9.115 -6.940 1.00 0.00 N ATOM 0 H LYS A 74 -0.535 11.377 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 74 0.677 13.493 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.583 11.232 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.077 10.575 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.561 12.299 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.212 12.102 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.798 9.560 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.315 9.935 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.563 11.093 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.064 10.904 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.856 9.249 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.856 8.495 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.401 8.678 -7.157 1.00 0.00 H new ATOM 1111 N THR A 75 -2.210 12.306 -3.262 1.00 0.00 N ATOM 1112 CA THR A 75 -3.336 12.589 -4.143 1.00 0.00 C ATOM 1113 C THR A 75 -4.344 13.512 -3.468 1.00 0.00 C ATOM 1114 O THR A 75 -4.686 14.568 -3.999 1.00 0.00 O ATOM 1115 CB THR A 75 -4.051 11.295 -4.575 1.00 0.00 C ATOM 1116 OG1 THR A 75 -4.589 10.626 -3.428 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.094 10.366 -5.307 1.00 0.00 C ATOM 0 H THR A 75 -2.335 11.487 -2.668 1.00 0.00 H new ATOM 0 HA THR A 75 -2.930 13.083 -5.026 1.00 0.00 H new ATOM 0 HB THR A 75 -4.862 11.563 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.043 9.805 -3.711 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.622 9.459 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.709 10.867 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.265 10.106 -4.649 1.00 0.00 H new ATOM 1125 N GLY A 76 -4.817 13.107 -2.294 1.00 0.00 N ATOM 1126 CA GLY A 76 -5.782 13.910 -1.565 1.00 0.00 C ATOM 1127 C GLY A 76 -7.037 13.135 -1.218 1.00 0.00 C ATOM 1128 O GLY A 76 -8.129 13.468 -1.682 1.00 0.00 O ATOM 0 H GLY A 76 -4.549 12.237 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.323 14.281 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.050 14.781 -2.163 1.00 0.00 H new ATOM 1132 N HIS A 77 -6.884 12.098 -0.401 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.015 11.272 0.007 1.00 0.00 C ATOM 1134 C HIS A 77 -8.065 11.130 1.525 1.00 0.00 C ATOM 1135 O HIS A 77 -7.228 11.684 2.239 1.00 0.00 O ATOM 1136 CB HIS A 77 -7.927 9.891 -0.644 1.00 0.00 C ATOM 1137 CG HIS A 77 -8.512 9.839 -2.021 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -8.269 10.801 -2.979 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -9.332 8.932 -2.601 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -8.916 10.489 -4.088 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -9.568 9.359 -3.885 1.00 0.00 N ATOM 0 H HIS A 77 -5.988 11.810 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.930 11.763 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.881 9.587 -0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.442 9.167 -0.012 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.727 8.039 -2.140 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.912 11.061 -5.004 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.152 8.881 -4.571 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.051 10.386 2.013 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.211 10.170 3.446 1.00 0.00 C ATOM 1152 C LYS A 78 -8.856 8.735 3.823 1.00 0.00 C ATOM 1153 O LYS A 78 -9.549 7.792 3.437 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.647 10.481 3.873 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.895 11.954 4.147 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.176 12.416 5.404 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.596 13.823 5.800 1.00 0.00 C ATOM 1158 NZ LYS A 78 -9.787 14.344 6.937 1.00 0.00 N ATOM 0 H LYS A 78 -9.753 9.922 1.436 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.530 10.843 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.330 10.145 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.882 9.909 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.558 12.545 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.965 12.130 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.391 11.727 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.099 12.389 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.489 14.488 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.651 13.823 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.219 15.219 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.757 13.634 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.820 14.544 6.612 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.776 8.577 4.579 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.331 7.256 5.010 1.00 0.00 C ATOM 1174 C LEU A 79 -7.900 6.910 6.383 1.00 0.00 C ATOM 1175 O LEU A 79 -8.019 7.774 7.252 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.803 7.199 5.050 1.00 0.00 C ATOM 1177 CG LEU A 79 -5.194 6.097 5.918 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.460 4.729 5.309 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.700 6.322 6.096 1.00 0.00 C ATOM 0 H LEU A 79 -7.192 9.346 4.906 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.697 6.524 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.437 7.074 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.433 8.160 5.406 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.666 6.133 6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.019 3.958 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.535 4.567 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.016 4.681 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.284 5.528 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.212 6.314 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.532 7.285 6.578 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.248 5.641 6.571 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.801 5.180 7.839 1.00 0.00 C ATOM 1193 C HIS A 80 -7.718 4.547 8.707 1.00 0.00 C ATOM 1194 O HIS A 80 -6.967 3.675 8.267 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.927 4.176 7.593 1.00 0.00 C ATOM 1196 CG HIS A 80 -11.149 4.784 6.977 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.424 4.316 7.214 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -11.286 5.830 6.129 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -13.292 5.047 6.538 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.627 5.973 5.872 1.00 0.00 N ATOM 0 H HIS A 80 -8.157 4.914 5.861 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.204 6.044 8.367 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.559 3.382 6.943 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.201 3.711 8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.489 6.439 5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.363 4.910 6.531 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.042 6.680 5.265 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.633 4.993 9.969 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.645 4.483 10.924 1.00 0.00 C ATOM 1211 C PRO A 81 -6.935 3.048 11.348 1.00 0.00 C ATOM 1212 O PRO A 81 -8.069 2.573 11.282 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.783 5.432 12.117 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.176 5.953 12.028 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.495 6.030 10.560 1.00 0.00 C ATOM 0 HA PRO A 81 -5.642 4.455 10.497 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.615 4.910 13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.054 6.241 12.066 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.873 5.294 12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.257 6.934 12.497 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.550 5.834 10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.274 7.016 10.152 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.888 2.338 11.794 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.007 0.947 12.239 1.00 0.00 C ATOM 1225 C PRO A 82 -6.776 0.820 13.550 1.00 0.00 C ATOM 1226 O PRO A 82 -7.200 1.819 14.132 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.552 0.510 12.429 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.809 1.773 12.696 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.508 2.841 11.900 1.00 0.00 C ATOM 0 HA PRO A 82 -6.561 0.337 11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.454 -0.190 13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.171 0.007 11.541 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.815 2.012 13.759 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.765 1.683 12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.470 3.807 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.052 2.974 10.919 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.954 -0.414 14.010 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.671 -0.671 15.253 1.00 0.00 C ATOM 1239 C LYS A 83 -7.080 0.141 16.400 1.00 0.00 C ATOM 1240 O LYS A 83 -5.874 0.107 16.641 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.624 -2.163 15.593 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.337 -2.590 16.277 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.450 -2.491 17.789 1.00 0.00 C ATOM 1244 CE LYS A 83 -5.157 -2.909 18.473 1.00 0.00 C ATOM 1245 NZ LYS A 83 -4.014 -2.039 18.080 1.00 0.00 N ATOM 0 H LYS A 83 -6.611 -1.252 13.540 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.709 -0.368 15.114 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.467 -2.407 16.239 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.747 -2.740 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.097 -3.615 15.995 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.515 -1.964 15.931 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.697 -1.467 18.070 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.267 -3.123 18.136 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.289 -2.869 19.554 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.930 -3.944 18.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.488 -1.751 18.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.381 -2.564 17.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.373 -1.193 17.592 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.939 0.871 17.106 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.483 1.680 18.221 1.00 0.00 C ATOM 1261 C GLY A 84 -6.587 2.821 17.781 1.00 0.00 C ATOM 1262 O GLY A 84 -5.586 3.121 18.432 1.00 0.00 O ATOM 0 H GLY A 84 -8.942 0.916 16.925 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.346 2.083 18.750 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.943 1.049 18.927 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.946 3.459 16.672 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.165 4.570 16.143 1.00 0.00 C ATOM 1268 C TYR A 85 -7.067 5.595 15.463 1.00 0.00 C ATOM 1269 O TYR A 85 -8.020 5.239 14.769 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.118 4.059 15.152 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.815 3.654 15.803 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.804 4.584 16.017 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.593 2.342 16.202 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.612 4.219 16.611 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.404 1.968 16.798 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.417 2.910 17.000 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.230 2.541 17.592 1.00 0.00 O ATOM 0 H TYR A 85 -7.773 3.225 16.122 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.659 5.055 16.978 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.527 3.204 14.613 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.919 4.836 14.413 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.953 5.610 15.713 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.363 1.602 16.044 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.837 4.954 16.770 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.248 0.944 17.104 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.255 1.585 17.806 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.760 6.872 15.667 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.541 7.951 15.074 1.00 0.00 C ATOM 1289 C LYS A 86 -6.800 8.573 13.894 1.00 0.00 C ATOM 1290 O LYS A 86 -5.571 8.629 13.881 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.844 9.025 16.121 1.00 0.00 C ATOM 1292 CG LYS A 86 -9.148 9.763 15.876 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.576 10.561 17.096 1.00 0.00 C ATOM 1294 CE LYS A 86 -8.628 11.720 17.365 1.00 0.00 C ATOM 1295 NZ LYS A 86 -8.558 12.055 18.814 1.00 0.00 N ATOM 0 H LYS A 86 -5.975 7.185 16.239 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.479 7.530 14.712 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.879 8.560 17.106 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.026 9.745 16.137 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.033 10.433 15.024 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.928 9.048 15.616 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.586 10.943 16.946 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.609 9.907 17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.632 11.466 17.003 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.957 12.596 16.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.902 12.849 18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.504 12.322 19.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.220 11.228 19.346 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.557 9.038 12.905 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.971 9.656 11.721 1.00 0.00 C ATOM 1311 C GLU A 87 -5.830 10.594 12.105 1.00 0.00 C ATOM 1312 O GLU A 87 -4.713 10.464 11.607 1.00 0.00 O ATOM 1313 CB GLU A 87 -8.038 10.426 10.939 1.00 0.00 C ATOM 1314 CG GLU A 87 -7.521 11.041 9.650 1.00 0.00 C ATOM 1315 CD GLU A 87 -8.638 11.532 8.749 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -9.413 12.407 9.187 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -8.737 11.040 7.605 1.00 0.00 O ATOM 0 H GLU A 87 -8.576 8.999 12.900 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.570 8.863 11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.862 9.752 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.442 11.216 11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.859 11.874 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.924 10.303 9.114 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.122 11.538 12.994 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.121 12.499 13.443 1.00 0.00 C ATOM 1326 C GLU A 88 -4.117 11.838 14.384 1.00 0.00 C ATOM 1327 O GLU A 88 -2.969 12.268 14.483 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.794 13.680 14.146 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.104 13.420 15.611 1.00 0.00 C ATOM 1330 CD GLU A 88 -4.956 13.797 16.526 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -3.831 13.989 16.019 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -5.182 13.899 17.750 1.00 0.00 O ATOM 0 H GLU A 88 -7.042 11.658 13.417 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.586 12.865 12.566 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.147 14.554 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.720 13.922 13.625 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.992 13.985 15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.340 12.365 15.747 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.561 10.791 15.073 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.702 10.073 16.007 1.00 0.00 C ATOM 1341 C GLU A 89 -2.890 9.002 15.285 1.00 0.00 C ATOM 1342 O GLU A 89 -2.507 7.992 15.876 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.540 9.432 17.115 1.00 0.00 C ATOM 1344 CG GLU A 89 -5.178 10.440 18.056 1.00 0.00 C ATOM 1345 CD GLU A 89 -4.176 11.067 19.006 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -3.817 10.413 20.007 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -3.750 12.212 18.748 1.00 0.00 O ATOM 0 H GLU A 89 -5.509 10.422 15.002 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.012 10.790 16.452 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.323 8.825 16.661 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.908 8.757 17.693 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.658 11.224 17.471 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.961 9.948 18.633 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.630 9.229 14.001 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.865 8.284 13.197 1.00 0.00 C ATOM 1356 C PHE A 90 -0.870 9.014 12.299 1.00 0.00 C ATOM 1357 O PHE A 90 -1.260 9.754 11.396 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.805 7.428 12.346 1.00 0.00 C ATOM 1359 CG PHE A 90 -2.088 6.436 11.474 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.210 5.517 12.025 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.293 6.424 10.104 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.549 4.603 11.226 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.636 5.512 9.300 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.762 4.601 9.861 1.00 0.00 C ATOM 0 H PHE A 90 -2.938 10.060 13.496 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.308 7.636 13.874 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.491 6.893 13.003 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.410 8.082 11.718 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.040 5.515 13.092 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.974 7.135 9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.133 3.892 11.668 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.806 5.511 8.233 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.246 3.889 9.234 1.00 0.00 H new ATOM 1374 N ASN A 91 0.416 8.801 12.554 1.00 0.00 N ATOM 1375 CA ASN A 91 1.467 9.439 11.770 1.00 0.00 C ATOM 1376 C ASN A 91 2.399 8.397 11.159 1.00 0.00 C ATOM 1377 O ASN A 91 3.116 7.695 11.873 1.00 0.00 O ATOM 1378 CB ASN A 91 2.269 10.406 12.644 1.00 0.00 C ATOM 1379 CG ASN A 91 1.671 11.799 12.662 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.746 12.080 13.425 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.199 12.680 11.820 1.00 0.00 N ATOM 0 H ASN A 91 0.756 8.191 13.298 1.00 0.00 H new ATOM 0 HA ASN A 91 0.994 9.997 10.962 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.314 10.019 13.662 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.294 10.458 12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.839 13.634 11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.965 12.403 11.206 1.00 0.00 H new ATOM 1388 N TRP A 92 2.384 8.302 9.835 1.00 0.00 N ATOM 1389 CA TRP A 92 3.229 7.346 9.127 1.00 0.00 C ATOM 1390 C TRP A 92 4.686 7.487 9.553 1.00 0.00 C ATOM 1391 O TRP A 92 5.229 6.618 10.233 1.00 0.00 O ATOM 1392 CB TRP A 92 3.104 7.546 7.616 1.00 0.00 C ATOM 1393 CG TRP A 92 2.010 6.730 6.996 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.877 7.199 6.396 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.946 5.301 6.919 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.112 6.148 5.950 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.746 4.974 6.258 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.786 4.268 7.342 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.368 3.657 6.012 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.409 2.961 7.097 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.209 2.664 6.437 1.00 0.00 C ATOM 0 H TRP A 92 1.796 8.875 9.229 1.00 0.00 H new ATOM 0 HA TRP A 92 2.892 6.341 9.382 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.921 8.601 7.410 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.052 7.288 7.143 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.620 8.242 6.288 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.783 6.229 5.468 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.713 4.487 7.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.557 3.427 5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.051 2.154 7.420 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.943 1.632 6.260 1.00 0.00 H new ATOM 1412 N GLN A 93 5.312 8.588 9.148 1.00 0.00 N ATOM 1413 CA GLN A 93 6.707 8.841 9.489 1.00 0.00 C ATOM 1414 C GLN A 93 6.992 8.459 10.938 1.00 0.00 C ATOM 1415 O GLN A 93 7.960 7.756 11.228 1.00 0.00 O ATOM 1416 CB GLN A 93 7.051 10.313 9.259 1.00 0.00 C ATOM 1417 CG GLN A 93 6.007 11.274 9.805 1.00 0.00 C ATOM 1418 CD GLN A 93 6.155 12.675 9.246 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.347 13.636 9.992 1.00 0.00 O ATOM 1420 NE2 GLN A 93 6.065 12.800 7.927 1.00 0.00 N ATOM 0 H GLN A 93 4.876 9.318 8.584 1.00 0.00 H new ATOM 0 HA GLN A 93 7.331 8.224 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.012 10.530 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.169 10.487 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.012 10.896 9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.085 11.310 10.892 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.905 11.977 7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.156 13.719 7.494 1.00 0.00 H new ATOM 1429 N THR A 94 6.141 8.928 11.846 1.00 0.00 N ATOM 1430 CA THR A 94 6.302 8.638 13.265 1.00 0.00 C ATOM 1431 C THR A 94 6.227 7.139 13.532 1.00 0.00 C ATOM 1432 O THR A 94 6.926 6.618 14.401 1.00 0.00 O ATOM 1433 CB THR A 94 5.230 9.352 14.109 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.218 10.752 13.804 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.490 9.154 15.595 1.00 0.00 C ATOM 0 H THR A 94 5.334 9.510 11.623 1.00 0.00 H new ATOM 0 HA THR A 94 7.286 9.007 13.553 1.00 0.00 H new ATOM 0 HB THR A 94 4.260 8.919 13.865 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.532 11.198 14.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.720 9.667 16.171 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.469 8.090 15.829 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.467 9.563 15.851 1.00 0.00 H new ATOM 1443 N TYR A 95 5.376 6.451 12.779 1.00 0.00 N ATOM 1444 CA TYR A 95 5.209 5.011 12.935 1.00 0.00 C ATOM 1445 C TYR A 95 6.316 4.252 12.211 1.00 0.00 C ATOM 1446 O TYR A 95 6.569 3.080 12.493 1.00 0.00 O ATOM 1447 CB TYR A 95 3.843 4.574 12.402 1.00 0.00 C ATOM 1448 CG TYR A 95 3.632 3.077 12.432 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.221 2.292 13.415 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.843 2.449 11.476 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.032 0.924 13.444 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.647 1.081 11.499 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.244 0.323 12.484 1.00 0.00 C ATOM 1454 OH TYR A 95 3.052 -1.039 12.511 1.00 0.00 O ATOM 0 H TYR A 95 4.791 6.867 12.054 1.00 0.00 H new ATOM 0 HA TYR A 95 5.269 4.777 13.998 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.062 5.054 12.991 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.732 4.928 11.377 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.837 2.759 14.169 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.375 3.040 10.702 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.499 0.328 14.214 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.030 0.608 10.749 1.00 0.00 H new ATOM 0 HH TYR A 95 2.471 -1.302 11.767 1.00 0.00 H new ATOM 1464 N LEU A 96 6.975 4.929 11.277 1.00 0.00 N ATOM 1465 CA LEU A 96 8.057 4.320 10.511 1.00 0.00 C ATOM 1466 C LEU A 96 9.406 4.576 11.176 1.00 0.00 C ATOM 1467 O LEU A 96 10.398 3.918 10.865 1.00 0.00 O ATOM 1468 CB LEU A 96 8.068 4.867 9.082 1.00 0.00 C ATOM 1469 CG LEU A 96 6.766 4.712 8.294 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.627 5.827 7.269 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.713 3.351 7.615 1.00 0.00 C ATOM 0 H LEU A 96 6.779 5.900 11.032 1.00 0.00 H new ATOM 0 HA LEU A 96 7.886 3.244 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.321 5.926 9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.865 4.369 8.530 1.00 0.00 H new ATOM 0 HG LEU A 96 5.931 4.781 8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.695 5.701 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.619 6.791 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.467 5.790 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.780 3.258 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.555 3.253 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.766 2.566 8.369 1.00 0.00 H new ATOM 1483 N LYS A 97 9.434 5.536 12.094 1.00 0.00 N ATOM 1484 CA LYS A 97 10.659 5.878 12.807 1.00 0.00 C ATOM 1485 C LYS A 97 10.783 5.069 14.094 1.00 0.00 C ATOM 1486 O LYS A 97 11.885 4.706 14.509 1.00 0.00 O ATOM 1487 CB LYS A 97 10.686 7.374 13.128 1.00 0.00 C ATOM 1488 CG LYS A 97 10.032 7.724 14.453 1.00 0.00 C ATOM 1489 CD LYS A 97 11.030 7.678 15.597 1.00 0.00 C ATOM 1490 CE LYS A 97 10.394 8.114 16.909 1.00 0.00 C ATOM 1491 NZ LYS A 97 11.339 7.983 18.053 1.00 0.00 N ATOM 0 H LYS A 97 8.622 6.091 12.362 1.00 0.00 H new ATOM 0 HA LYS A 97 11.504 5.636 12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.721 7.715 13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.182 7.918 12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.594 8.720 14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.217 7.029 14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.421 6.666 15.700 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.877 8.325 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.065 9.150 16.827 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.506 7.511 17.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.869 8.290 18.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.634 6.990 18.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.175 8.578 17.883 1.00 0.00 H new ATOM 1505 N THR A 98 9.646 4.788 14.724 1.00 0.00 N ATOM 1506 CA THR A 98 9.628 4.021 15.963 1.00 0.00 C ATOM 1507 C THR A 98 9.861 2.539 15.697 1.00 0.00 C ATOM 1508 O THR A 98 10.443 1.834 16.523 1.00 0.00 O ATOM 1509 CB THR A 98 8.292 4.193 16.710 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.395 3.647 18.030 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.160 3.509 15.959 1.00 0.00 C ATOM 0 H THR A 98 8.726 5.081 14.396 1.00 0.00 H new ATOM 0 HA THR A 98 10.436 4.406 16.584 1.00 0.00 H new ATOM 0 HB THR A 98 8.072 5.259 16.775 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.542 3.762 18.499 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.227 3.644 16.506 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.065 3.947 14.966 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.376 2.445 15.867 1.00 0.00 H new ATOM 1519 N CYS A 99 9.405 2.072 14.540 1.00 0.00 N ATOM 1520 CA CYS A 99 9.564 0.671 14.165 1.00 0.00 C ATOM 1521 C CYS A 99 10.687 0.505 13.146 1.00 0.00 C ATOM 1522 O CYS A 99 10.758 -0.502 12.442 1.00 0.00 O ATOM 1523 CB CYS A 99 8.256 0.123 13.593 1.00 0.00 C ATOM 1524 SG CYS A 99 7.144 -0.579 14.834 1.00 0.00 S ATOM 0 H CYS A 99 8.922 2.642 13.846 1.00 0.00 H new ATOM 0 HA CYS A 99 9.825 0.108 15.061 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.737 0.925 13.068 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.488 -0.644 12.854 1.00 0.00 H new ATOM 0 HG CYS A 99 6.065 -1.014 14.254 1.00 0.00 H new ATOM 1530 N LYS A 100 11.564 1.501 13.073 1.00 0.00 N ATOM 1531 CA LYS A 100 12.685 1.467 12.141 1.00 0.00 C ATOM 1532 C LYS A 100 12.317 0.698 10.876 1.00 0.00 C ATOM 1533 O LYS A 100 13.130 -0.052 10.337 1.00 0.00 O ATOM 1534 CB LYS A 100 13.907 0.827 12.804 1.00 0.00 C ATOM 1535 CG LYS A 100 13.582 -0.429 13.593 1.00 0.00 C ATOM 1536 CD LYS A 100 13.124 -0.099 15.003 1.00 0.00 C ATOM 1537 CE LYS A 100 12.919 -1.358 15.832 1.00 0.00 C ATOM 1538 NZ LYS A 100 12.218 -1.070 17.114 1.00 0.00 N ATOM 0 H LYS A 100 11.520 2.342 13.648 1.00 0.00 H new ATOM 0 HA LYS A 100 12.926 2.493 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.641 0.584 12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.371 1.554 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.803 -0.991 13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.462 -1.071 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.863 0.540 15.487 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.193 0.466 14.961 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.341 -2.081 15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.886 -1.816 16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.097 -1.953 17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.781 -0.399 17.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.285 -0.656 16.914 1.00 0.00 H new ATOM 1552 N ALA A 101 11.089 0.890 10.408 1.00 0.00 N ATOM 1553 CA ALA A 101 10.616 0.216 9.205 1.00 0.00 C ATOM 1554 C ALA A 101 10.608 1.166 8.012 1.00 0.00 C ATOM 1555 O ALA A 101 10.418 2.371 8.168 1.00 0.00 O ATOM 1556 CB ALA A 101 9.225 -0.358 9.434 1.00 0.00 C ATOM 0 H ALA A 101 10.403 1.507 10.843 1.00 0.00 H new ATOM 0 HA ALA A 101 11.302 -0.601 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.884 -0.858 8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.258 -1.075 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.535 0.448 9.685 1.00 0.00 H new ATOM 1562 N GLN A 102 10.816 0.614 6.821 1.00 0.00 N ATOM 1563 CA GLN A 102 10.834 1.413 5.601 1.00 0.00 C ATOM 1564 C GLN A 102 9.547 1.223 4.807 1.00 0.00 C ATOM 1565 O GLN A 102 8.999 0.123 4.748 1.00 0.00 O ATOM 1566 CB GLN A 102 12.040 1.038 4.738 1.00 0.00 C ATOM 1567 CG GLN A 102 11.877 -0.285 4.007 1.00 0.00 C ATOM 1568 CD GLN A 102 13.136 -0.705 3.274 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.763 -1.707 3.619 1.00 0.00 O ATOM 1570 NE2 GLN A 102 13.512 0.059 2.256 1.00 0.00 N ATOM 0 H GLN A 102 10.974 -0.383 6.675 1.00 0.00 H new ATOM 0 HA GLN A 102 10.912 2.462 5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.213 1.828 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.927 0.988 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.602 -1.060 4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.056 -0.203 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.962 0.881 2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.351 -0.175 1.725 1.00 0.00 H new ATOM 1579 N ALA A 103 9.069 2.303 4.197 1.00 0.00 N ATOM 1580 CA ALA A 103 7.847 2.254 3.404 1.00 0.00 C ATOM 1581 C ALA A 103 8.109 1.656 2.026 1.00 0.00 C ATOM 1582 O ALA A 103 9.168 1.872 1.437 1.00 0.00 O ATOM 1583 CB ALA A 103 7.248 3.647 3.272 1.00 0.00 C ATOM 0 H ALA A 103 9.509 3.222 4.237 1.00 0.00 H new ATOM 0 HA ALA A 103 7.134 1.611 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.336 3.596 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.014 4.038 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.964 4.306 2.782 1.00 0.00 H new ATOM 1589 N ALA A 104 7.139 0.903 1.519 1.00 0.00 N ATOM 1590 CA ALA A 104 7.265 0.274 0.209 1.00 0.00 C ATOM 1591 C ALA A 104 7.499 1.316 -0.879 1.00 0.00 C ATOM 1592 O ALA A 104 6.957 2.421 -0.842 1.00 0.00 O ATOM 1593 CB ALA A 104 6.024 -0.549 -0.103 1.00 0.00 C ATOM 0 H ALA A 104 6.257 0.713 1.995 1.00 0.00 H new ATOM 0 HA ALA A 104 8.130 -0.389 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.132 -1.013 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.902 -1.324 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.148 0.099 -0.103 1.00 0.00 H new ATOM 1599 N PRO A 105 8.326 0.959 -1.873 1.00 0.00 N ATOM 1600 CA PRO A 105 8.650 1.850 -2.992 1.00 0.00 C ATOM 1601 C PRO A 105 7.463 2.065 -3.924 1.00 0.00 C ATOM 1602 O PRO A 105 6.632 1.175 -4.105 1.00 0.00 O ATOM 1603 CB PRO A 105 9.775 1.110 -3.720 1.00 0.00 C ATOM 1604 CG PRO A 105 9.567 -0.326 -3.378 1.00 0.00 C ATOM 1605 CD PRO A 105 9.007 -0.342 -1.983 1.00 0.00 C ATOM 0 HA PRO A 105 8.928 2.848 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.724 1.272 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.755 1.457 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.880 -0.799 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.505 -0.879 -3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.315 -1.171 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.793 -0.448 -1.236 1.00 0.00 H new ATOM 1613 N LYS A 106 7.389 3.253 -4.515 1.00 0.00 N ATOM 1614 CA LYS A 106 6.304 3.586 -5.431 1.00 0.00 C ATOM 1615 C LYS A 106 6.400 2.761 -6.710 1.00 0.00 C ATOM 1616 O LYS A 106 5.391 2.485 -7.359 1.00 0.00 O ATOM 1617 CB LYS A 106 6.336 5.078 -5.771 1.00 0.00 C ATOM 1618 CG LYS A 106 7.642 5.531 -6.401 1.00 0.00 C ATOM 1619 CD LYS A 106 7.617 7.014 -6.730 1.00 0.00 C ATOM 1620 CE LYS A 106 6.698 7.309 -7.905 1.00 0.00 C ATOM 1621 NZ LYS A 106 7.049 8.591 -8.576 1.00 0.00 N ATOM 0 H LYS A 106 8.068 4.002 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 106 5.361 3.352 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.516 5.304 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.163 5.653 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.467 5.322 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.826 4.959 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.285 7.576 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.626 7.353 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.757 6.494 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.666 7.352 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.399 8.756 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.968 9.373 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.025 8.541 -8.931 1.00 0.00 H new ATOM 1635 N SER A 107 7.619 2.369 -7.067 1.00 0.00 N ATOM 1636 CA SER A 107 7.846 1.576 -8.270 1.00 0.00 C ATOM 1637 C SER A 107 6.916 0.368 -8.308 1.00 0.00 C ATOM 1638 O SER A 107 6.502 -0.079 -9.379 1.00 0.00 O ATOM 1639 CB SER A 107 9.303 1.115 -8.334 1.00 0.00 C ATOM 1640 OG SER A 107 9.686 0.463 -7.136 1.00 0.00 O ATOM 0 H SER A 107 8.465 2.588 -6.540 1.00 0.00 H new ATOM 0 HA SER A 107 7.632 2.204 -9.135 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.437 0.439 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.952 1.974 -8.508 1.00 0.00 H new ATOM 0 HG SER A 107 10.621 0.177 -7.204 1.00 0.00 H new ATOM 1646 N LEU A 108 6.591 -0.158 -7.132 1.00 0.00 N ATOM 1647 CA LEU A 108 5.709 -1.315 -7.028 1.00 0.00 C ATOM 1648 C LEU A 108 4.327 -0.999 -7.590 1.00 0.00 C ATOM 1649 O LEU A 108 3.673 -1.859 -8.181 1.00 0.00 O ATOM 1650 CB LEU A 108 5.590 -1.762 -5.570 1.00 0.00 C ATOM 1651 CG LEU A 108 6.784 -2.529 -5.003 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.674 -2.648 -3.491 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.885 -3.907 -5.642 1.00 0.00 C ATOM 0 H LEU A 108 6.925 0.199 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 108 6.143 -2.125 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.425 -0.879 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.703 -2.388 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 108 7.692 -1.974 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.533 -3.197 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.652 -1.652 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.758 -3.180 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.741 -4.439 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.974 -4.470 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.013 -3.800 -6.719 1.00 0.00 H new ATOM 1665 N PHE A 109 3.887 0.242 -7.403 1.00 0.00 N ATOM 1666 CA PHE A 109 2.583 0.673 -7.892 1.00 0.00 C ATOM 1667 C PHE A 109 2.731 1.576 -9.113 1.00 0.00 C ATOM 1668 O PHE A 109 1.920 2.474 -9.334 1.00 0.00 O ATOM 1669 CB PHE A 109 1.819 1.408 -6.789 1.00 0.00 C ATOM 1670 CG PHE A 109 1.945 0.761 -5.439 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.109 0.893 -4.700 1.00 0.00 C ATOM 1672 CD2 PHE A 109 0.899 0.023 -4.909 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.228 0.298 -3.458 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.012 -0.574 -3.668 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.178 -0.435 -2.940 1.00 0.00 C ATOM 0 H PHE A 109 4.415 0.966 -6.916 1.00 0.00 H new ATOM 0 HA PHE A 109 2.021 -0.214 -8.185 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.183 2.433 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.765 1.460 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.933 1.467 -5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.016 -0.087 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.142 0.406 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.190 -1.149 -3.268 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.268 -0.898 -1.969 1.00 0.00 H new ATOM 1685 N GLU A 110 3.773 1.331 -9.900 1.00 0.00 N ATOM 1686 CA GLU A 110 4.029 2.123 -11.097 1.00 0.00 C ATOM 1687 C GLU A 110 3.382 1.482 -12.322 1.00 0.00 C ATOM 1688 O GLU A 110 3.924 1.542 -13.425 1.00 0.00 O ATOM 1689 CB GLU A 110 5.534 2.276 -11.323 1.00 0.00 C ATOM 1690 CG GLU A 110 5.911 3.539 -12.079 1.00 0.00 C ATOM 1691 CD GLU A 110 5.630 3.435 -13.566 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.465 2.850 -14.288 1.00 0.00 O ATOM 1693 OE2 GLU A 110 4.575 3.937 -14.007 1.00 0.00 O ATOM 0 H GLU A 110 4.454 0.591 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 110 3.590 3.109 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.040 2.276 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.900 1.410 -11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.358 4.383 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.970 3.747 -11.927 1.00 0.00 H new ATOM 1700 N ASN A 111 2.221 0.869 -12.118 1.00 0.00 N ATOM 1701 CA ASN A 111 1.500 0.216 -13.205 1.00 0.00 C ATOM 1702 C ASN A 111 0.399 1.120 -13.748 1.00 0.00 C ATOM 1703 O ASN A 111 0.264 1.290 -14.960 1.00 0.00 O ATOM 1704 CB ASN A 111 0.899 -1.106 -12.723 1.00 0.00 C ATOM 1705 CG ASN A 111 1.908 -2.238 -12.734 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.027 -2.970 -13.717 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.640 -2.388 -11.636 1.00 0.00 N ATOM 0 H ASN A 111 1.759 0.811 -11.210 1.00 0.00 H new ATOM 0 HA ASN A 111 2.208 0.014 -14.009 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.511 -0.979 -11.712 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.053 -1.370 -13.358 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.335 -3.133 -11.584 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.508 -1.758 -10.845 1.00 0.00 H new