USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 776 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 40 CYS SG : rot -33:sc= 0.406 USER MOD Set 1.2: A 59 TYR OH : rot 147:sc= 0.852 USER MOD Single : A 11 THR OG1 : rot 30:sc= 0.126 USER MOD Single : A 16 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4.02! C(o=-4!,f=-5.9!) USER MOD Single : A 35 CYS SG : rot 180:sc= -3.15 USER MOD Single : A 36 MET CE :methyl -123:sc= -6.63! (180deg=-11.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 143:sc= -3.17! (180deg=-7.09!) USER MOD Single : A 43 TYR OH : rot 39:sc= -0.212 USER MOD Single : A 46 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.46) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 164:sc= -0.0294 (180deg=-0.483) USER MOD Single : A 51 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.79) USER MOD Single : A 53 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.12) USER MOD Single : A 54 SER OG : rot 40:sc= -1.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 163:sc= -3.19! USER MOD Single : A 79 TYR OH : rot 180:sc= -0.955 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.938 USER MOD Single : A 84 GLN : amide:sc= 0.342 X(o=0.34,f=-0.018) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -2.51 K(o=-2.5,f=-4.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -117:sc= -1.4 (180deg=-7.12!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.592 6.911 3.361 1.00 0.00 N ATOM 121 CA THR A 11 4.225 6.821 2.879 1.00 0.00 C ATOM 122 C THR A 11 3.239 7.074 4.022 1.00 0.00 C ATOM 123 O THR A 11 3.578 6.891 5.190 1.00 0.00 O ATOM 124 CB THR A 11 4.046 5.454 2.214 1.00 0.00 C ATOM 125 OG1 THR A 11 4.876 5.520 1.057 1.00 0.00 O ATOM 126 CG2 THR A 11 2.638 5.257 1.651 1.00 0.00 C ATOM 0 HA THR A 11 4.017 7.590 2.135 1.00 0.00 H new ATOM 0 HB THR A 11 4.261 4.667 2.937 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.632 6.119 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.565 4.272 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.909 5.336 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.435 6.023 0.903 1.00 0.00 H new ATOM 134 N ILE A 12 2.040 7.491 3.644 1.00 0.00 N ATOM 135 CA ILE A 12 1.003 7.771 4.623 1.00 0.00 C ATOM 136 C ILE A 12 -0.254 6.973 4.270 1.00 0.00 C ATOM 137 O ILE A 12 -0.683 6.960 3.117 1.00 0.00 O ATOM 138 CB ILE A 12 0.763 9.278 4.734 1.00 0.00 C ATOM 139 CG1 ILE A 12 2.086 10.034 4.876 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.205 9.597 5.875 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.938 11.488 4.423 1.00 0.00 C ATOM 0 H ILE A 12 1.763 7.642 2.674 1.00 0.00 H new ATOM 0 HA ILE A 12 1.319 7.448 5.615 1.00 0.00 H new ATOM 0 HB ILE A 12 0.295 9.618 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.416 10.005 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.856 9.541 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.358 10.675 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.160 9.104 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.212 9.240 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.892 12.003 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.631 11.514 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.185 11.985 5.034 1.00 0.00 H new ATOM 153 N LEU A 13 -0.810 6.326 5.284 1.00 0.00 N ATOM 154 CA LEU A 13 -2.009 5.528 5.096 1.00 0.00 C ATOM 155 C LEU A 13 -3.134 6.090 5.968 1.00 0.00 C ATOM 156 O LEU A 13 -2.972 6.233 7.179 1.00 0.00 O ATOM 157 CB LEU A 13 -1.714 4.048 5.351 1.00 0.00 C ATOM 158 CG LEU A 13 -2.715 3.053 4.761 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.769 2.656 5.796 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.347 3.604 3.481 1.00 0.00 C ATOM 0 H LEU A 13 -0.452 6.338 6.239 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.347 5.588 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.726 3.821 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.665 3.888 6.428 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.175 2.147 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.468 1.948 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.281 2.193 6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.311 3.544 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.054 2.877 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.870 4.534 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.568 3.794 2.743 1.00 0.00 H new ATOM 172 N LEU A 14 -4.248 6.393 5.319 1.00 0.00 N ATOM 173 CA LEU A 14 -5.399 6.936 6.021 1.00 0.00 C ATOM 174 C LEU A 14 -6.647 6.136 5.641 1.00 0.00 C ATOM 175 O LEU A 14 -6.646 5.414 4.645 1.00 0.00 O ATOM 176 CB LEU A 14 -5.527 8.437 5.758 1.00 0.00 C ATOM 177 CG LEU A 14 -4.565 9.022 4.722 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.115 8.914 5.198 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.768 8.367 3.354 1.00 0.00 C ATOM 0 H LEU A 14 -4.379 6.273 4.315 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.271 6.834 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.547 8.643 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.379 8.965 6.700 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.789 10.083 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.452 9.337 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.997 9.462 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.861 7.866 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.072 8.801 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.586 7.295 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.790 8.538 3.017 1.00 0.00 H new ATOM 191 N VAL A 15 -7.681 6.292 6.454 1.00 0.00 N ATOM 192 CA VAL A 15 -8.932 5.593 6.216 1.00 0.00 C ATOM 193 C VAL A 15 -10.101 6.533 6.517 1.00 0.00 C ATOM 194 O VAL A 15 -10.139 7.163 7.573 1.00 0.00 O ATOM 195 CB VAL A 15 -8.976 4.302 7.036 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.408 3.972 7.462 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.352 3.140 6.262 1.00 0.00 C ATOM 0 H VAL A 15 -7.678 6.892 7.279 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.012 5.299 5.169 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.386 4.458 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.411 3.050 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.803 4.786 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.031 3.845 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.396 2.234 6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.902 2.984 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.312 3.373 6.032 1.00 0.00 H new ATOM 207 N GLN A 16 -11.027 6.597 5.571 1.00 0.00 N ATOM 208 CA GLN A 16 -12.194 7.450 5.723 1.00 0.00 C ATOM 209 C GLN A 16 -13.467 6.672 5.381 1.00 0.00 C ATOM 210 O GLN A 16 -13.841 6.570 4.213 1.00 0.00 O ATOM 211 CB GLN A 16 -12.070 8.707 4.859 1.00 0.00 C ATOM 212 CG GLN A 16 -13.282 9.621 5.046 1.00 0.00 C ATOM 213 CD GLN A 16 -13.373 10.124 6.489 1.00 0.00 C ATOM 214 OE1 GLN A 16 -12.681 11.041 6.899 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.262 9.473 7.233 1.00 0.00 N ATOM 0 H GLN A 16 -10.993 6.072 4.697 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.255 7.769 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.160 9.245 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.981 8.425 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.211 10.469 4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.193 9.081 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.809 8.714 6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.397 9.733 8.210 1.00 0.00 H new ATOM 224 N PRO A 17 -14.113 6.130 6.447 1.00 0.00 N ATOM 225 CA PRO A 17 -15.336 5.366 6.272 1.00 0.00 C ATOM 226 C PRO A 17 -16.521 6.287 5.977 1.00 0.00 C ATOM 227 O PRO A 17 -17.276 6.052 5.035 1.00 0.00 O ATOM 228 CB PRO A 17 -15.499 4.582 7.564 1.00 0.00 C ATOM 229 CG PRO A 17 -14.624 5.284 8.590 1.00 0.00 C ATOM 230 CD PRO A 17 -13.699 6.231 7.844 1.00 0.00 C ATOM 0 HA PRO A 17 -15.292 4.692 5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.541 4.568 7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.192 3.544 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.238 5.833 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.046 4.557 9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.796 7.252 8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.655 5.945 7.969 1.00 0.00 H new ATOM 238 N THR A 18 -16.648 7.317 6.801 1.00 0.00 N ATOM 239 CA THR A 18 -17.729 8.274 6.641 1.00 0.00 C ATOM 240 C THR A 18 -17.170 9.660 6.313 1.00 0.00 C ATOM 241 O THR A 18 -16.151 9.777 5.633 1.00 0.00 O ATOM 242 CB THR A 18 -18.577 8.248 7.914 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.721 8.796 8.913 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.855 6.825 8.403 1.00 0.00 C ATOM 0 H THR A 18 -16.020 7.509 7.581 1.00 0.00 H new ATOM 0 HA THR A 18 -18.370 8.008 5.800 1.00 0.00 H new ATOM 0 HB THR A 18 -19.521 8.761 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.193 8.818 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.460 6.863 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.392 6.273 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.912 6.323 8.618 1.00 0.00 H new ATOM 252 N LYS A 19 -17.860 10.675 6.811 1.00 0.00 N ATOM 253 CA LYS A 19 -17.445 12.048 6.580 1.00 0.00 C ATOM 254 C LYS A 19 -16.959 12.659 7.896 1.00 0.00 C ATOM 255 O LYS A 19 -16.121 13.559 7.895 1.00 0.00 O ATOM 256 CB LYS A 19 -18.569 12.842 5.911 1.00 0.00 C ATOM 257 CG LYS A 19 -18.197 13.214 4.474 1.00 0.00 C ATOM 258 CD LYS A 19 -17.135 14.315 4.449 1.00 0.00 C ATOM 259 CE LYS A 19 -16.155 14.105 3.293 1.00 0.00 C ATOM 260 NZ LYS A 19 -16.616 14.826 2.086 1.00 0.00 N ATOM 0 H LYS A 19 -18.704 10.574 7.374 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.606 12.080 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.486 12.253 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.771 13.747 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.825 12.333 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.086 13.549 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.617 15.288 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.592 14.323 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.165 14.459 3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.063 13.041 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.940 14.673 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.552 14.469 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.681 15.843 2.293 1.00 0.00 H new ATOM 274 N ARG A 20 -17.507 12.144 8.987 1.00 0.00 N ATOM 275 CA ARG A 20 -17.140 12.628 10.307 1.00 0.00 C ATOM 276 C ARG A 20 -15.637 12.459 10.536 1.00 0.00 C ATOM 277 O ARG A 20 -15.014 11.568 9.960 1.00 0.00 O ATOM 278 CB ARG A 20 -17.903 11.877 11.400 1.00 0.00 C ATOM 279 CG ARG A 20 -19.308 12.454 11.584 1.00 0.00 C ATOM 280 CD ARG A 20 -19.247 13.887 12.115 1.00 0.00 C ATOM 281 NE ARG A 20 -20.586 14.312 12.581 1.00 0.00 N ATOM 282 CZ ARG A 20 -20.919 15.580 12.855 1.00 0.00 C ATOM 283 NH1 ARG A 20 -20.013 16.557 12.711 1.00 0.00 N ATOM 284 NH2 ARG A 20 -22.158 15.873 13.274 1.00 0.00 N ATOM 0 H ARG A 20 -18.202 11.397 8.984 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.402 13.685 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.971 10.821 11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.354 11.940 12.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.839 12.437 10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.874 11.830 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.531 13.950 12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.895 14.559 11.332 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.300 13.594 12.701 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.070 16.335 12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.267 17.523 12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.848 15.130 13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.411 16.839 13.482 1.00 0.00 H new ATOM 298 N PRO A 21 -15.083 13.351 11.400 1.00 0.00 N ATOM 299 CA PRO A 21 -13.664 13.309 11.712 1.00 0.00 C ATOM 300 C PRO A 21 -13.344 12.145 12.653 1.00 0.00 C ATOM 301 O PRO A 21 -12.237 11.608 12.628 1.00 0.00 O ATOM 302 CB PRO A 21 -13.355 14.667 12.320 1.00 0.00 C ATOM 303 CG PRO A 21 -14.692 15.244 12.753 1.00 0.00 C ATOM 304 CD PRO A 21 -15.789 14.419 12.101 1.00 0.00 C ATOM 0 HA PRO A 21 -13.045 13.131 10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.678 14.570 13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.865 15.317 11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.787 15.215 13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.772 16.289 12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.477 14.017 12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.381 15.021 11.412 1.00 0.00 H new ATOM 312 N GLU A 22 -14.332 11.790 13.461 1.00 0.00 N ATOM 313 CA GLU A 22 -14.169 10.700 14.408 1.00 0.00 C ATOM 314 C GLU A 22 -14.305 9.353 13.696 1.00 0.00 C ATOM 315 O GLU A 22 -15.417 8.893 13.438 1.00 0.00 O ATOM 316 CB GLU A 22 -15.174 10.818 15.556 1.00 0.00 C ATOM 317 CG GLU A 22 -14.496 11.332 16.828 1.00 0.00 C ATOM 318 CD GLU A 22 -15.395 11.129 18.049 1.00 0.00 C ATOM 319 OE1 GLU A 22 -16.327 11.946 18.209 1.00 0.00 O ATOM 320 OE2 GLU A 22 -15.129 10.162 18.795 1.00 0.00 O ATOM 0 H GLU A 22 -15.248 12.238 13.480 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.169 10.762 14.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.980 11.494 15.271 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.627 9.846 15.749 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.551 10.810 16.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.261 12.391 16.717 1.00 0.00 H new ATOM 327 N GLY A 23 -13.159 8.759 13.397 1.00 0.00 N ATOM 328 CA GLY A 23 -13.137 7.474 12.720 1.00 0.00 C ATOM 329 C GLY A 23 -11.978 7.400 11.723 1.00 0.00 C ATOM 330 O GLY A 23 -11.459 6.319 11.448 1.00 0.00 O ATOM 0 H GLY A 23 -12.239 9.144 13.611 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.042 6.674 13.454 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.081 7.317 12.198 1.00 0.00 H new ATOM 334 N ARG A 24 -11.607 8.563 11.209 1.00 0.00 N ATOM 335 CA ARG A 24 -10.519 8.644 10.249 1.00 0.00 C ATOM 336 C ARG A 24 -9.180 8.792 10.975 1.00 0.00 C ATOM 337 O ARG A 24 -9.042 9.628 11.867 1.00 0.00 O ATOM 338 CB ARG A 24 -10.710 9.828 9.299 1.00 0.00 C ATOM 339 CG ARG A 24 -10.399 11.151 10.002 1.00 0.00 C ATOM 340 CD ARG A 24 -10.938 12.338 9.201 1.00 0.00 C ATOM 341 NE ARG A 24 -10.607 13.605 9.889 1.00 0.00 N ATOM 342 CZ ARG A 24 -9.383 14.151 9.909 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.368 13.544 9.279 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.175 15.305 10.559 1.00 0.00 N ATOM 0 H ARG A 24 -12.040 9.457 11.439 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.521 7.722 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.060 9.711 8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.735 9.841 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.840 11.150 10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.322 11.254 10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.509 12.336 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.018 12.249 9.085 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.357 14.093 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.527 12.666 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.437 13.960 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.948 15.767 11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.244 15.721 10.575 1.00 0.00 H new ATOM 358 N THR A 25 -8.227 7.967 10.565 1.00 0.00 N ATOM 359 CA THR A 25 -6.904 7.996 11.165 1.00 0.00 C ATOM 360 C THR A 25 -5.830 7.781 10.098 1.00 0.00 C ATOM 361 O THR A 25 -6.080 7.136 9.081 1.00 0.00 O ATOM 362 CB THR A 25 -6.869 6.951 12.282 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.527 6.999 12.760 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.025 5.523 11.754 1.00 0.00 C ATOM 0 H THR A 25 -8.345 7.275 9.825 1.00 0.00 H new ATOM 0 HA THR A 25 -6.690 8.970 11.605 1.00 0.00 H new ATOM 0 HB THR A 25 -7.662 7.161 13.000 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.416 6.353 13.488 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.993 4.821 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.980 5.429 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.213 5.300 11.061 1.00 0.00 H new ATOM 372 N TYR A 26 -4.656 8.333 10.366 1.00 0.00 N ATOM 373 CA TYR A 26 -3.542 8.210 9.441 1.00 0.00 C ATOM 374 C TYR A 26 -2.400 7.402 10.062 1.00 0.00 C ATOM 375 O TYR A 26 -2.270 7.344 11.283 1.00 0.00 O ATOM 376 CB TYR A 26 -3.056 9.636 9.173 1.00 0.00 C ATOM 377 CG TYR A 26 -3.940 10.424 8.205 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.293 10.547 8.450 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.385 11.011 7.086 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.125 11.288 7.538 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.217 11.753 6.174 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.546 11.855 6.445 1.00 0.00 C ATOM 383 OH TYR A 26 -6.332 12.555 5.584 1.00 0.00 O ATOM 0 H TYR A 26 -4.452 8.867 11.211 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.854 7.697 8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.002 10.174 10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.043 9.594 8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.727 10.088 9.326 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.327 10.914 6.894 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.185 11.391 7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.795 12.218 5.295 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.784 12.904 4.851 1.00 0.00 H new ATOM 393 N ALA A 27 -1.603 6.800 9.192 1.00 0.00 N ATOM 394 CA ALA A 27 -0.476 5.999 9.639 1.00 0.00 C ATOM 395 C ALA A 27 0.775 6.405 8.859 1.00 0.00 C ATOM 396 O ALA A 27 0.710 7.256 7.972 1.00 0.00 O ATOM 397 CB ALA A 27 -0.809 4.514 9.476 1.00 0.00 C ATOM 0 H ALA A 27 -1.715 6.851 8.179 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.276 6.175 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.036 3.913 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.687 4.270 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.013 4.300 8.427 1.00 0.00 H new ATOM 403 N ASP A 28 1.886 5.778 9.216 1.00 0.00 N ATOM 404 CA ASP A 28 3.151 6.063 8.560 1.00 0.00 C ATOM 405 C ASP A 28 3.891 4.751 8.295 1.00 0.00 C ATOM 406 O ASP A 28 3.869 3.843 9.125 1.00 0.00 O ATOM 407 CB ASP A 28 4.044 6.939 9.442 1.00 0.00 C ATOM 408 CG ASP A 28 3.518 8.354 9.691 1.00 0.00 C ATOM 409 OD1 ASP A 28 3.487 9.129 8.710 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.159 8.629 10.856 1.00 0.00 O ATOM 0 H ASP A 28 1.937 5.073 9.952 1.00 0.00 H new ATOM 0 HA ASP A 28 2.937 6.588 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.178 6.443 10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.029 7.010 8.980 1.00 0.00 H new ATOM 415 N TYR A 29 4.528 4.692 7.134 1.00 0.00 N ATOM 416 CA TYR A 29 5.273 3.505 6.749 1.00 0.00 C ATOM 417 C TYR A 29 6.540 3.880 5.979 1.00 0.00 C ATOM 418 O TYR A 29 6.779 5.054 5.702 1.00 0.00 O ATOM 419 CB TYR A 29 4.348 2.707 5.828 1.00 0.00 C ATOM 420 CG TYR A 29 3.107 2.147 6.526 1.00 0.00 C ATOM 421 CD1 TYR A 29 1.964 2.915 6.622 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.130 0.875 7.059 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.795 2.388 7.279 1.00 0.00 C ATOM 424 CE2 TYR A 29 1.962 0.347 7.715 1.00 0.00 C ATOM 425 CZ TYR A 29 0.852 1.130 7.793 1.00 0.00 C ATOM 426 OH TYR A 29 -0.251 0.632 8.413 1.00 0.00 O ATOM 0 H TYR A 29 4.543 5.447 6.448 1.00 0.00 H new ATOM 0 HA TYR A 29 5.576 2.939 7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.031 3.347 5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.910 1.882 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.946 3.911 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.025 0.275 6.984 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.106 2.978 7.361 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.967 -0.648 8.135 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.066 -0.277 8.730 1.00 0.00 H new ATOM 436 N GLU A 30 7.321 2.859 5.654 1.00 0.00 N ATOM 437 CA GLU A 30 8.558 3.066 4.922 1.00 0.00 C ATOM 438 C GLU A 30 8.356 2.748 3.439 1.00 0.00 C ATOM 439 O GLU A 30 8.675 3.565 2.576 1.00 0.00 O ATOM 440 CB GLU A 30 9.693 2.228 5.513 1.00 0.00 C ATOM 441 CG GLU A 30 9.927 2.581 6.983 1.00 0.00 C ATOM 442 CD GLU A 30 11.409 2.469 7.345 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.186 3.297 6.821 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.733 1.557 8.136 1.00 0.00 O ATOM 0 H GLU A 30 7.120 1.886 5.885 1.00 0.00 H new ATOM 0 HA GLU A 30 8.840 4.115 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.452 1.169 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.608 2.396 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.577 3.595 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.343 1.915 7.618 1.00 0.00 H new ATOM 451 N SER A 31 7.829 1.559 3.188 1.00 0.00 N ATOM 452 CA SER A 31 7.581 1.123 1.824 1.00 0.00 C ATOM 453 C SER A 31 6.102 1.306 1.477 1.00 0.00 C ATOM 454 O SER A 31 5.269 1.478 2.365 1.00 0.00 O ATOM 455 CB SER A 31 7.995 -0.337 1.629 1.00 0.00 C ATOM 456 OG SER A 31 9.411 -0.499 1.656 1.00 0.00 O ATOM 0 H SER A 31 7.567 0.884 3.906 1.00 0.00 H new ATOM 0 HA SER A 31 8.184 1.736 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.545 -0.949 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.607 -0.700 0.677 1.00 0.00 H new ATOM 0 HG SER A 31 9.635 -1.445 1.530 1.00 0.00 H new ATOM 462 N VAL A 32 5.822 1.263 0.183 1.00 0.00 N ATOM 463 CA VAL A 32 4.458 1.422 -0.293 1.00 0.00 C ATOM 464 C VAL A 32 3.644 0.182 0.082 1.00 0.00 C ATOM 465 O VAL A 32 2.537 0.297 0.606 1.00 0.00 O ATOM 466 CB VAL A 32 4.458 1.705 -1.797 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.127 1.296 -2.432 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.770 3.176 -2.078 1.00 0.00 C ATOM 0 H VAL A 32 6.516 1.120 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 32 3.984 2.279 0.185 1.00 0.00 H new ATOM 0 HB VAL A 32 5.245 1.103 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.154 1.508 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.962 0.230 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.316 1.859 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.764 3.350 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.016 3.805 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.753 3.423 -1.676 1.00 0.00 H new ATOM 478 N ASN A 33 4.223 -0.975 -0.202 1.00 0.00 N ATOM 479 CA ASN A 33 3.565 -2.235 0.098 1.00 0.00 C ATOM 480 C ASN A 33 3.043 -2.203 1.536 1.00 0.00 C ATOM 481 O ASN A 33 1.861 -2.440 1.777 1.00 0.00 O ATOM 482 CB ASN A 33 4.539 -3.409 -0.025 1.00 0.00 C ATOM 483 CG ASN A 33 5.954 -2.991 0.381 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.711 -2.431 -0.395 1.00 0.00 O ATOM 485 ND2 ASN A 33 6.268 -3.295 1.637 1.00 0.00 N ATOM 0 H ASN A 33 5.141 -1.066 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 33 2.750 -2.367 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.204 -4.232 0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.544 -3.776 -1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.190 -3.059 2.004 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.587 -3.764 2.234 1.00 0.00 H new ATOM 492 N GLU A 34 3.952 -1.908 2.455 1.00 0.00 N ATOM 493 CA GLU A 34 3.598 -1.841 3.863 1.00 0.00 C ATOM 494 C GLU A 34 2.354 -0.972 4.057 1.00 0.00 C ATOM 495 O GLU A 34 1.372 -1.411 4.654 1.00 0.00 O ATOM 496 CB GLU A 34 4.768 -1.319 4.698 1.00 0.00 C ATOM 497 CG GLU A 34 5.986 -2.237 4.571 1.00 0.00 C ATOM 498 CD GLU A 34 5.592 -3.701 4.777 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.002 -3.985 5.842 1.00 0.00 O ATOM 500 OE2 GLU A 34 5.890 -4.502 3.865 1.00 0.00 O ATOM 0 H GLU A 34 4.932 -1.713 2.252 1.00 0.00 H new ATOM 0 HA GLU A 34 3.370 -2.849 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.031 -0.313 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.470 -1.248 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.438 -2.113 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.739 -1.952 5.306 1.00 0.00 H new ATOM 507 N CYS A 35 2.436 0.246 3.542 1.00 0.00 N ATOM 508 CA CYS A 35 1.330 1.181 3.652 1.00 0.00 C ATOM 509 C CYS A 35 0.031 0.424 3.368 1.00 0.00 C ATOM 510 O CYS A 35 -0.871 0.397 4.203 1.00 0.00 O ATOM 511 CB CYS A 35 1.507 2.380 2.717 1.00 0.00 C ATOM 512 SG CYS A 35 -0.089 3.249 2.504 1.00 0.00 S ATOM 0 H CYS A 35 3.252 0.607 3.047 1.00 0.00 H new ATOM 0 HA CYS A 35 1.297 1.592 4.661 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.251 3.064 3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.880 2.045 1.749 1.00 0.00 H new ATOM 0 HG CYS A 35 0.073 4.266 1.710 1.00 0.00 H new ATOM 518 N MET A 36 -0.023 -0.173 2.186 1.00 0.00 N ATOM 519 CA MET A 36 -1.196 -0.929 1.781 1.00 0.00 C ATOM 520 C MET A 36 -1.511 -2.034 2.791 1.00 0.00 C ATOM 521 O MET A 36 -2.677 -2.308 3.072 1.00 0.00 O ATOM 522 CB MET A 36 -0.953 -1.550 0.404 1.00 0.00 C ATOM 523 CG MET A 36 -1.850 -0.904 -0.654 1.00 0.00 C ATOM 524 SD MET A 36 -1.488 0.839 -0.780 1.00 0.00 S ATOM 525 CE MET A 36 0.224 0.765 -1.276 1.00 0.00 C ATOM 0 H MET A 36 0.727 -0.148 1.496 1.00 0.00 H new ATOM 0 HA MET A 36 -2.047 -0.249 1.737 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.093 -1.426 0.124 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.147 -2.622 0.445 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.694 -1.387 -1.619 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.898 -1.048 -0.391 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.834 1.319 -0.562 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.551 -0.275 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.335 1.205 -2.267 1.00 0.00 H new ATOM 535 N GLU A 37 -0.452 -2.637 3.310 1.00 0.00 N ATOM 536 CA GLU A 37 -0.601 -3.706 4.283 1.00 0.00 C ATOM 537 C GLU A 37 -1.647 -3.326 5.333 1.00 0.00 C ATOM 538 O GLU A 37 -2.512 -4.131 5.673 1.00 0.00 O ATOM 539 CB GLU A 37 0.739 -4.041 4.940 1.00 0.00 C ATOM 540 CG GLU A 37 0.954 -5.554 5.008 1.00 0.00 C ATOM 541 CD GLU A 37 2.110 -5.903 5.948 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.978 -5.588 7.150 1.00 0.00 O ATOM 543 OE2 GLU A 37 3.099 -6.475 5.442 1.00 0.00 O ATOM 0 H GLU A 37 0.513 -2.406 3.075 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.945 -4.599 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.550 -3.580 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.770 -3.620 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.041 -6.039 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.163 -5.940 4.010 1.00 0.00 H new ATOM 550 N GLY A 38 -1.533 -2.098 5.817 1.00 0.00 N ATOM 551 CA GLY A 38 -2.457 -1.600 6.822 1.00 0.00 C ATOM 552 C GLY A 38 -3.903 -1.687 6.328 1.00 0.00 C ATOM 553 O GLY A 38 -4.828 -1.828 7.126 1.00 0.00 O ATOM 0 H GLY A 38 -0.814 -1.433 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.347 -2.177 7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.213 -0.566 7.065 1.00 0.00 H new ATOM 557 N VAL A 39 -4.052 -1.601 5.014 1.00 0.00 N ATOM 558 CA VAL A 39 -5.369 -1.668 4.404 1.00 0.00 C ATOM 559 C VAL A 39 -5.873 -3.111 4.448 1.00 0.00 C ATOM 560 O VAL A 39 -6.849 -3.411 5.134 1.00 0.00 O ATOM 561 CB VAL A 39 -5.318 -1.095 2.986 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.709 -1.085 2.349 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.704 0.306 2.982 1.00 0.00 C ATOM 0 H VAL A 39 -3.282 -1.485 4.355 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.080 -1.058 4.961 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.679 -1.743 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.645 -0.673 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.094 -2.103 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.380 -0.471 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.680 0.690 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.305 0.968 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.689 0.260 3.376 1.00 0.00 H new ATOM 573 N CYS A 40 -5.185 -3.968 3.707 1.00 0.00 N ATOM 574 CA CYS A 40 -5.552 -5.373 3.653 1.00 0.00 C ATOM 575 C CYS A 40 -5.910 -5.831 5.068 1.00 0.00 C ATOM 576 O CYS A 40 -6.957 -6.440 5.280 1.00 0.00 O ATOM 577 CB CYS A 40 -4.437 -6.225 3.042 1.00 0.00 C ATOM 578 SG CYS A 40 -5.088 -7.873 2.585 1.00 0.00 S ATOM 0 H CYS A 40 -4.376 -3.716 3.139 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.416 -5.501 3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.030 -5.729 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.619 -6.333 3.754 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.014 -8.223 3.428 1.00 0.00 H new ATOM 584 N LYS A 41 -5.020 -5.521 5.999 1.00 0.00 N ATOM 585 CA LYS A 41 -5.229 -5.893 7.388 1.00 0.00 C ATOM 586 C LYS A 41 -6.694 -5.656 7.760 1.00 0.00 C ATOM 587 O LYS A 41 -7.364 -6.557 8.263 1.00 0.00 O ATOM 588 CB LYS A 41 -4.238 -5.160 8.294 1.00 0.00 C ATOM 589 CG LYS A 41 -2.803 -5.614 8.019 1.00 0.00 C ATOM 590 CD LYS A 41 -2.425 -6.802 8.905 1.00 0.00 C ATOM 591 CE LYS A 41 -0.927 -7.101 8.811 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.201 -6.472 9.937 1.00 0.00 N ATOM 0 H LYS A 41 -4.152 -5.016 5.819 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.031 -6.955 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.320 -4.085 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.488 -5.346 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.700 -5.891 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.115 -4.788 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.693 -6.588 9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.995 -7.681 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.764 -8.179 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.535 -6.729 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.814 -6.685 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.342 -5.442 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.564 -6.847 10.837 1.00 0.00 H new ATOM 606 N MET A 42 -7.149 -4.439 7.498 1.00 0.00 N ATOM 607 CA MET A 42 -8.522 -4.073 7.799 1.00 0.00 C ATOM 608 C MET A 42 -9.467 -5.254 7.571 1.00 0.00 C ATOM 609 O MET A 42 -10.299 -5.561 8.423 1.00 0.00 O ATOM 610 CB MET A 42 -8.944 -2.901 6.909 1.00 0.00 C ATOM 611 CG MET A 42 -8.049 -1.683 7.145 1.00 0.00 C ATOM 612 SD MET A 42 -8.911 -0.192 6.676 1.00 0.00 S ATOM 613 CE MET A 42 -8.594 -0.191 4.919 1.00 0.00 C ATOM 0 H MET A 42 -6.591 -3.694 7.081 1.00 0.00 H new ATOM 0 HA MET A 42 -8.580 -3.784 8.848 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.891 -3.198 5.862 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.982 -2.639 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.761 -1.631 8.195 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.130 -1.779 6.566 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.473 0.177 4.391 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.744 0.456 4.703 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.371 -1.206 4.589 1.00 0.00 H new ATOM 623 N TYR A 43 -9.308 -5.884 6.416 1.00 0.00 N ATOM 624 CA TYR A 43 -10.136 -7.025 6.066 1.00 0.00 C ATOM 625 C TYR A 43 -9.726 -8.266 6.860 1.00 0.00 C ATOM 626 O TYR A 43 -10.560 -8.897 7.508 1.00 0.00 O ATOM 627 CB TYR A 43 -9.892 -7.282 4.578 1.00 0.00 C ATOM 628 CG TYR A 43 -11.031 -8.026 3.879 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.265 -7.424 3.740 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.826 -9.300 3.388 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.338 -8.125 3.083 1.00 0.00 C ATOM 632 CE2 TYR A 43 -11.898 -10.000 2.730 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.102 -9.378 2.610 1.00 0.00 C ATOM 634 OH TYR A 43 -14.115 -10.039 1.989 1.00 0.00 O ATOM 0 H TYR A 43 -8.618 -5.626 5.711 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.183 -6.821 6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.734 -6.327 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -8.973 -7.857 4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.426 -6.427 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.861 -9.772 3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.309 -7.666 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.750 -10.996 2.340 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.625 -9.411 1.436 1.00 0.00 H new ATOM 644 N GLU A 44 -8.440 -8.579 6.785 1.00 0.00 N ATOM 645 CA GLU A 44 -7.909 -9.733 7.489 1.00 0.00 C ATOM 646 C GLU A 44 -8.489 -9.807 8.903 1.00 0.00 C ATOM 647 O GLU A 44 -9.184 -10.763 9.244 1.00 0.00 O ATOM 648 CB GLU A 44 -6.380 -9.697 7.526 1.00 0.00 C ATOM 649 CG GLU A 44 -5.786 -10.313 6.257 1.00 0.00 C ATOM 650 CD GLU A 44 -4.790 -11.423 6.600 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.192 -11.330 7.694 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.650 -12.339 5.762 1.00 0.00 O ATOM 0 H GLU A 44 -7.751 -8.053 6.247 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.206 -10.631 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.039 -8.667 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.021 -10.240 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.586 -10.716 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.287 -9.540 5.672 1.00 0.00 H new ATOM 659 N GLU A 45 -8.183 -8.784 9.688 1.00 0.00 N ATOM 660 CA GLU A 45 -8.666 -8.720 11.056 1.00 0.00 C ATOM 661 C GLU A 45 -10.176 -8.963 11.099 1.00 0.00 C ATOM 662 O GLU A 45 -10.673 -9.652 11.989 1.00 0.00 O ATOM 663 CB GLU A 45 -8.309 -7.380 11.702 1.00 0.00 C ATOM 664 CG GLU A 45 -8.688 -6.213 10.789 1.00 0.00 C ATOM 665 CD GLU A 45 -9.883 -5.441 11.354 1.00 0.00 C ATOM 666 OE1 GLU A 45 -10.709 -6.090 12.032 1.00 0.00 O ATOM 667 OE2 GLU A 45 -9.942 -4.219 11.096 1.00 0.00 O ATOM 0 H GLU A 45 -7.606 -7.993 9.402 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.175 -9.506 11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.827 -7.283 12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.240 -7.348 11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.836 -5.542 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.930 -6.588 9.795 1.00 0.00 H new ATOM 674 N HIS A 46 -10.864 -8.385 10.125 1.00 0.00 N ATOM 675 CA HIS A 46 -12.307 -8.531 10.040 1.00 0.00 C ATOM 676 C HIS A 46 -12.656 -9.971 9.660 1.00 0.00 C ATOM 677 O HIS A 46 -13.774 -10.426 9.897 1.00 0.00 O ATOM 678 CB HIS A 46 -12.901 -7.502 9.074 1.00 0.00 C ATOM 679 CG HIS A 46 -14.151 -7.971 8.370 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.407 -7.905 8.949 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.327 -8.513 7.131 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.290 -8.388 8.087 1.00 0.00 C ATOM 683 NE2 HIS A 46 -15.619 -8.765 6.962 1.00 0.00 N ATOM 0 H HIS A 46 -10.449 -7.815 9.388 1.00 0.00 H new ATOM 0 HA HIS A 46 -12.754 -8.331 11.014 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.128 -6.590 9.626 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.150 -7.245 8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -13.547 -8.705 6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.355 -8.469 8.248 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.040 -9.173 6.128 1.00 0.00 H new ATOM 691 N LEU A 47 -11.679 -10.649 9.076 1.00 0.00 N ATOM 692 CA LEU A 47 -11.869 -12.028 8.661 1.00 0.00 C ATOM 693 C LEU A 47 -11.556 -12.957 9.836 1.00 0.00 C ATOM 694 O LEU A 47 -12.305 -13.895 10.107 1.00 0.00 O ATOM 695 CB LEU A 47 -11.048 -12.328 7.405 1.00 0.00 C ATOM 696 CG LEU A 47 -11.799 -12.233 6.075 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.593 -10.929 5.986 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.843 -12.405 4.893 1.00 0.00 C ATOM 0 H LEU A 47 -10.753 -10.269 8.880 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.909 -12.202 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.204 -11.639 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.636 -13.333 7.496 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.518 -13.051 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.117 -10.887 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.317 -10.888 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.911 -10.082 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.402 -12.333 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.084 -11.623 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.361 -13.381 4.954 1.00 0.00 H new ATOM 710 N LYS A 48 -10.449 -12.665 10.502 1.00 0.00 N ATOM 711 CA LYS A 48 -10.028 -13.462 11.641 1.00 0.00 C ATOM 712 C LYS A 48 -11.260 -13.900 12.435 1.00 0.00 C ATOM 713 O LYS A 48 -11.554 -15.091 12.524 1.00 0.00 O ATOM 714 CB LYS A 48 -8.997 -12.701 12.477 1.00 0.00 C ATOM 715 CG LYS A 48 -7.803 -13.594 12.822 1.00 0.00 C ATOM 716 CD LYS A 48 -6.482 -12.876 12.540 1.00 0.00 C ATOM 717 CE LYS A 48 -5.887 -13.327 11.205 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.457 -13.675 11.366 1.00 0.00 N ATOM 0 H LYS A 48 -9.830 -11.887 10.274 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.525 -14.369 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.653 -11.825 11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.462 -12.340 13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.849 -13.879 13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.852 -14.514 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.646 -11.799 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.775 -13.079 13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.437 -14.189 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.993 -12.533 10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.068 -13.979 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.933 -12.843 11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.363 -14.448 12.056 1.00 0.00 H new ATOM 732 N ARG A 49 -11.948 -12.913 12.991 1.00 0.00 N ATOM 733 CA ARG A 49 -13.142 -13.182 13.774 1.00 0.00 C ATOM 734 C ARG A 49 -14.035 -14.192 13.051 1.00 0.00 C ATOM 735 O ARG A 49 -14.577 -15.104 13.673 1.00 0.00 O ATOM 736 CB ARG A 49 -13.936 -11.898 14.026 1.00 0.00 C ATOM 737 CG ARG A 49 -13.846 -10.954 12.825 1.00 0.00 C ATOM 738 CD ARG A 49 -15.230 -10.428 12.437 1.00 0.00 C ATOM 739 NE ARG A 49 -15.382 -9.025 12.883 1.00 0.00 N ATOM 740 CZ ARG A 49 -16.546 -8.363 12.896 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.668 -8.972 12.487 1.00 0.00 N ATOM 742 NH2 ARG A 49 -16.590 -7.092 13.317 1.00 0.00 N ATOM 0 H ARG A 49 -11.701 -11.926 12.915 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.824 -13.594 14.732 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.980 -12.144 14.223 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.553 -11.398 14.916 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.189 -10.118 13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.401 -11.478 11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.362 -10.491 11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.004 -11.048 12.890 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.548 -8.531 13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.635 -9.940 12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.555 -8.468 12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.737 -6.628 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.477 -6.588 13.327 1.00 0.00 H new ATOM 756 N MET A 50 -14.161 -13.995 11.747 1.00 0.00 N ATOM 757 CA MET A 50 -14.979 -14.877 10.932 1.00 0.00 C ATOM 758 C MET A 50 -14.296 -16.232 10.735 1.00 0.00 C ATOM 759 O MET A 50 -14.963 -17.264 10.672 1.00 0.00 O ATOM 760 CB MET A 50 -15.229 -14.228 9.569 1.00 0.00 C ATOM 761 CG MET A 50 -15.817 -12.825 9.730 1.00 0.00 C ATOM 762 SD MET A 50 -15.518 -11.866 8.254 1.00 0.00 S ATOM 763 CE MET A 50 -16.315 -12.906 7.042 1.00 0.00 C ATOM 0 H MET A 50 -13.710 -13.237 11.234 1.00 0.00 H new ATOM 0 HA MET A 50 -15.926 -15.040 11.446 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.294 -14.173 9.012 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.911 -14.848 8.987 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.888 -12.890 9.921 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.369 -12.331 10.592 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.475 -12.339 6.125 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.682 -13.768 6.830 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.275 -13.247 7.430 1.00 0.00 H new ATOM 773 N ASN A 51 -12.975 -16.185 10.643 1.00 0.00 N ATOM 774 CA ASN A 51 -12.195 -17.395 10.455 1.00 0.00 C ATOM 775 C ASN A 51 -11.181 -17.526 11.594 1.00 0.00 C ATOM 776 O ASN A 51 -10.136 -16.877 11.577 1.00 0.00 O ATOM 777 CB ASN A 51 -11.420 -17.352 9.136 1.00 0.00 C ATOM 778 CG ASN A 51 -12.340 -16.977 7.972 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.647 -17.780 7.106 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.762 -15.716 8.000 1.00 0.00 N ATOM 0 H ASN A 51 -12.426 -15.327 10.695 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.883 -18.240 10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.608 -16.628 9.210 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.964 -18.324 8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.381 -15.369 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.467 -15.096 8.754 1.00 0.00 H new ATOM 787 N PRO A 52 -11.535 -18.392 12.581 1.00 0.00 N ATOM 788 CA PRO A 52 -10.668 -18.616 13.726 1.00 0.00 C ATOM 789 C PRO A 52 -9.470 -19.487 13.344 1.00 0.00 C ATOM 790 O PRO A 52 -8.322 -19.089 13.536 1.00 0.00 O ATOM 791 CB PRO A 52 -11.561 -19.261 14.774 1.00 0.00 C ATOM 792 CG PRO A 52 -12.768 -19.796 14.022 1.00 0.00 C ATOM 793 CD PRO A 52 -12.764 -19.178 12.634 1.00 0.00 C ATOM 0 HA PRO A 52 -10.228 -17.695 14.108 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.037 -20.064 15.293 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.862 -18.536 15.530 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.725 -20.883 13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.688 -19.545 14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.777 -19.945 11.859 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.642 -18.551 12.477 1.00 0.00 H new ATOM 801 N ASN A 53 -9.778 -20.660 12.810 1.00 0.00 N ATOM 802 CA ASN A 53 -8.740 -21.591 12.399 1.00 0.00 C ATOM 803 C ASN A 53 -7.803 -20.898 11.407 1.00 0.00 C ATOM 804 O ASN A 53 -6.600 -21.153 11.402 1.00 0.00 O ATOM 805 CB ASN A 53 -9.341 -22.815 11.706 1.00 0.00 C ATOM 806 CG ASN A 53 -10.425 -23.459 12.574 1.00 0.00 C ATOM 807 OD1 ASN A 53 -10.153 -24.210 13.496 1.00 0.00 O ATOM 808 ND2 ASN A 53 -11.664 -23.124 12.228 1.00 0.00 N ATOM 0 H ASN A 53 -10.731 -20.987 12.652 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.201 -21.910 13.291 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.765 -22.522 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.556 -23.542 11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.458 -23.501 12.746 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.821 -22.490 11.445 1.00 0.00 H new ATOM 815 N SER A 54 -8.391 -20.036 10.590 1.00 0.00 N ATOM 816 CA SER A 54 -7.624 -19.306 9.596 1.00 0.00 C ATOM 817 C SER A 54 -6.268 -18.900 10.175 1.00 0.00 C ATOM 818 O SER A 54 -6.168 -17.907 10.895 1.00 0.00 O ATOM 819 CB SER A 54 -8.386 -18.070 9.112 1.00 0.00 C ATOM 820 OG SER A 54 -9.032 -18.296 7.862 1.00 0.00 O ATOM 0 H SER A 54 -9.389 -19.827 10.597 1.00 0.00 H new ATOM 0 HA SER A 54 -7.464 -19.960 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.129 -17.787 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.695 -17.232 9.017 1.00 0.00 H new ATOM 0 HG SER A 54 -9.414 -19.198 7.850 1.00 0.00 H new ATOM 826 N PRO A 55 -5.231 -19.709 9.831 1.00 0.00 N ATOM 827 CA PRO A 55 -3.884 -19.445 10.309 1.00 0.00 C ATOM 828 C PRO A 55 -3.258 -18.266 9.561 1.00 0.00 C ATOM 829 O PRO A 55 -2.605 -17.418 10.166 1.00 0.00 O ATOM 830 CB PRO A 55 -3.130 -20.748 10.103 1.00 0.00 C ATOM 831 CG PRO A 55 -3.943 -21.545 9.095 1.00 0.00 C ATOM 832 CD PRO A 55 -5.312 -20.893 8.981 1.00 0.00 C ATOM 0 HA PRO A 55 -3.860 -19.149 11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.122 -20.562 9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.028 -21.293 11.041 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.444 -21.557 8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.040 -22.582 9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.538 -20.625 7.949 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.101 -21.567 9.315 1.00 0.00 H new ATOM 840 N SER A 56 -3.480 -18.251 8.254 1.00 0.00 N ATOM 841 CA SER A 56 -2.946 -17.191 7.417 1.00 0.00 C ATOM 842 C SER A 56 -4.084 -16.486 6.676 1.00 0.00 C ATOM 843 O SER A 56 -3.847 -15.549 5.915 1.00 0.00 O ATOM 844 CB SER A 56 -1.923 -17.740 6.419 1.00 0.00 C ATOM 845 OG SER A 56 -0.757 -18.236 7.069 1.00 0.00 O ATOM 0 H SER A 56 -4.022 -18.956 7.755 1.00 0.00 H new ATOM 0 HA SER A 56 -2.438 -16.471 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.379 -18.539 5.834 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.641 -16.953 5.719 1.00 0.00 H new ATOM 0 HG SER A 56 -0.130 -18.579 6.399 1.00 0.00 H new ATOM 851 N ILE A 57 -5.295 -16.963 6.926 1.00 0.00 N ATOM 852 CA ILE A 57 -6.470 -16.389 6.292 1.00 0.00 C ATOM 853 C ILE A 57 -6.425 -16.676 4.790 1.00 0.00 C ATOM 854 O ILE A 57 -5.399 -17.106 4.267 1.00 0.00 O ATOM 855 CB ILE A 57 -6.589 -14.902 6.631 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.693 -14.690 8.142 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.758 -14.261 5.881 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.039 -14.067 8.518 1.00 0.00 C ATOM 0 H ILE A 57 -5.488 -17.740 7.558 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.377 -16.854 6.679 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.679 -14.402 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.574 -15.644 8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.883 -14.044 8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.821 -13.204 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.601 -14.363 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.687 -14.759 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.086 -13.927 9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.144 -13.102 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.847 -14.727 8.202 1.00 0.00 H new ATOM 870 N THR A 58 -7.552 -16.427 4.139 1.00 0.00 N ATOM 871 CA THR A 58 -7.655 -16.653 2.707 1.00 0.00 C ATOM 872 C THR A 58 -9.024 -16.205 2.193 1.00 0.00 C ATOM 873 O THR A 58 -10.051 -16.528 2.788 1.00 0.00 O ATOM 874 CB THR A 58 -7.359 -18.131 2.440 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.701 -18.130 1.176 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.630 -18.948 2.198 1.00 0.00 C ATOM 0 H THR A 58 -8.402 -16.071 4.577 1.00 0.00 H new ATOM 0 HA THR A 58 -6.926 -16.056 2.159 1.00 0.00 H new ATOM 0 HB THR A 58 -6.813 -18.551 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.471 -19.049 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.364 -19.989 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.274 -18.888 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.159 -18.550 1.332 1.00 0.00 H new ATOM 884 N TYR A 59 -8.995 -15.467 1.093 1.00 0.00 N ATOM 885 CA TYR A 59 -10.222 -14.971 0.492 1.00 0.00 C ATOM 886 C TYR A 59 -9.940 -14.296 -0.851 1.00 0.00 C ATOM 887 O TYR A 59 -8.786 -14.184 -1.264 1.00 0.00 O ATOM 888 CB TYR A 59 -10.777 -13.930 1.466 1.00 0.00 C ATOM 889 CG TYR A 59 -9.751 -12.888 1.915 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.976 -13.120 3.034 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.600 -11.716 1.202 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.010 -12.139 3.456 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.634 -10.735 1.625 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.887 -10.995 2.731 1.00 0.00 C ATOM 895 OH TYR A 59 -6.974 -10.069 3.130 1.00 0.00 O ATOM 0 H TYR A 59 -8.141 -15.200 0.602 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.920 -15.789 0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.617 -13.419 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.168 -14.442 2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.094 -14.037 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.206 -11.534 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.397 -12.308 4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.506 -9.814 1.076 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.613 -9.606 2.345 1.00 0.00 H new ATOM 905 N ASP A 60 -11.013 -13.863 -1.497 1.00 0.00 N ATOM 906 CA ASP A 60 -10.896 -13.202 -2.785 1.00 0.00 C ATOM 907 C ASP A 60 -10.319 -11.799 -2.583 1.00 0.00 C ATOM 908 O ASP A 60 -10.793 -11.045 -1.735 1.00 0.00 O ATOM 909 CB ASP A 60 -12.262 -13.058 -3.457 1.00 0.00 C ATOM 910 CG ASP A 60 -12.730 -14.287 -4.241 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.856 -14.930 -4.861 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.950 -14.554 -4.202 1.00 0.00 O ATOM 0 H ASP A 60 -11.968 -13.957 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.246 -13.808 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.004 -12.829 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.229 -12.205 -4.134 1.00 0.00 H new ATOM 917 N ILE A 61 -9.303 -11.492 -3.376 1.00 0.00 N ATOM 918 CA ILE A 61 -8.656 -10.193 -3.295 1.00 0.00 C ATOM 919 C ILE A 61 -9.660 -9.104 -3.677 1.00 0.00 C ATOM 920 O ILE A 61 -9.519 -7.953 -3.266 1.00 0.00 O ATOM 921 CB ILE A 61 -7.380 -10.176 -4.139 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.226 -9.523 -3.376 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.626 -9.504 -5.491 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.921 -9.621 -4.167 1.00 0.00 C ATOM 0 H ILE A 61 -8.912 -12.120 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.337 -9.989 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.090 -11.207 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.460 -8.476 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.105 -10.008 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.703 -9.505 -6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.397 -10.051 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.954 -8.477 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.117 -9.149 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.677 -10.669 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.037 -9.114 -5.125 1.00 0.00 H new ATOM 936 N SER A 62 -10.652 -9.505 -4.459 1.00 0.00 N ATOM 937 CA SER A 62 -11.679 -8.577 -4.900 1.00 0.00 C ATOM 938 C SER A 62 -12.734 -8.405 -3.806 1.00 0.00 C ATOM 939 O SER A 62 -13.262 -7.310 -3.614 1.00 0.00 O ATOM 940 CB SER A 62 -12.333 -9.056 -6.198 1.00 0.00 C ATOM 941 OG SER A 62 -11.943 -8.264 -7.317 1.00 0.00 O ATOM 0 H SER A 62 -10.766 -10.460 -4.798 1.00 0.00 H new ATOM 0 HA SER A 62 -11.208 -7.614 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.062 -10.096 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.417 -9.023 -6.091 1.00 0.00 H new ATOM 0 HG SER A 62 -12.380 -8.603 -8.126 1.00 0.00 H new ATOM 947 N GLN A 63 -13.010 -9.502 -3.117 1.00 0.00 N ATOM 948 CA GLN A 63 -13.993 -9.486 -2.047 1.00 0.00 C ATOM 949 C GLN A 63 -13.516 -8.591 -0.901 1.00 0.00 C ATOM 950 O GLN A 63 -14.321 -8.126 -0.095 1.00 0.00 O ATOM 951 CB GLN A 63 -14.285 -10.903 -1.550 1.00 0.00 C ATOM 952 CG GLN A 63 -15.431 -10.903 -0.536 1.00 0.00 C ATOM 953 CD GLN A 63 -16.703 -11.496 -1.145 1.00 0.00 C ATOM 954 OE1 GLN A 63 -17.021 -11.290 -2.305 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.411 -12.241 -0.302 1.00 0.00 N ATOM 0 H GLN A 63 -12.570 -10.408 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.923 -9.075 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.542 -11.543 -2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.390 -11.323 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.143 -11.478 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.625 -9.884 -0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.088 -12.373 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.277 -12.681 -0.614 1.00 0.00 H new ATOM 964 N LEU A 64 -12.209 -8.376 -0.865 1.00 0.00 N ATOM 965 CA LEU A 64 -11.615 -7.545 0.168 1.00 0.00 C ATOM 966 C LEU A 64 -11.900 -6.074 -0.140 1.00 0.00 C ATOM 967 O LEU A 64 -12.154 -5.284 0.767 1.00 0.00 O ATOM 968 CB LEU A 64 -10.127 -7.864 0.323 1.00 0.00 C ATOM 969 CG LEU A 64 -9.191 -6.659 0.437 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.502 -5.840 1.691 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.726 -7.096 0.386 1.00 0.00 C ATOM 0 H LEU A 64 -11.545 -8.763 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.066 -7.761 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.999 -8.484 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.813 -8.463 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.363 -6.010 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.823 -4.990 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.530 -5.481 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.375 -6.465 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.082 -6.220 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.521 -7.777 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.530 -7.602 -0.559 1.00 0.00 H new ATOM 983 N PHE A 65 -11.849 -5.751 -1.424 1.00 0.00 N ATOM 984 CA PHE A 65 -12.098 -4.389 -1.864 1.00 0.00 C ATOM 985 C PHE A 65 -13.577 -4.026 -1.713 1.00 0.00 C ATOM 986 O PHE A 65 -13.937 -2.850 -1.740 1.00 0.00 O ATOM 987 CB PHE A 65 -11.717 -4.319 -3.344 1.00 0.00 C ATOM 988 CG PHE A 65 -10.246 -4.636 -3.623 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.347 -4.647 -2.603 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.838 -4.907 -4.892 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.982 -4.941 -2.862 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.474 -5.202 -5.152 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.574 -5.212 -4.131 1.00 0.00 C ATOM 0 H PHE A 65 -11.639 -6.410 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.516 -3.692 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.341 -5.017 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.941 -3.320 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.671 -4.432 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.552 -4.898 -5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.268 -4.949 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.151 -5.418 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.536 -5.435 -4.328 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.393 -5.057 -1.556 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.825 -4.862 -1.401 1.00 0.00 C ATOM 1005 C ASP A 66 -16.088 -4.041 -0.137 1.00 0.00 C ATOM 1006 O ASP A 66 -17.170 -3.479 0.028 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.551 -6.201 -1.255 1.00 0.00 C ATOM 1008 CG ASP A 66 -18.067 -6.138 -1.446 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.493 -6.169 -2.621 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.767 -6.059 -0.413 1.00 0.00 O ATOM 0 H ASP A 66 -14.090 -6.031 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.194 -4.347 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.137 -6.902 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.341 -6.605 -0.265 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.081 -3.997 0.723 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.191 -3.255 1.967 1.00 0.00 C ATOM 1017 C PHE A 67 -14.577 -1.860 1.829 1.00 0.00 C ATOM 1018 O PHE A 67 -14.879 -0.964 2.616 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.413 -4.038 3.026 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.666 -3.157 4.029 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.341 -2.570 5.053 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.327 -2.960 3.896 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.647 -1.751 5.984 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.633 -2.142 4.826 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.308 -1.555 5.851 1.00 0.00 C ATOM 0 H PHE A 67 -14.185 -4.463 0.583 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.240 -3.137 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.106 -4.681 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.696 -4.690 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.404 -2.726 5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.791 -3.426 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.183 -1.284 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.570 -1.986 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.780 -0.933 6.559 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.726 -1.720 0.823 1.00 0.00 N ATOM 1036 CA ILE A 68 -13.067 -0.450 0.571 1.00 0.00 C ATOM 1037 C ILE A 68 -14.089 0.552 0.030 1.00 0.00 C ATOM 1038 O ILE A 68 -13.976 1.752 0.272 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.856 -0.646 -0.342 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.621 -1.054 0.465 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.600 0.602 -1.190 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.540 -1.639 -0.446 1.00 0.00 C ATOM 0 H ILE A 68 -13.478 -2.466 0.173 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.673 -0.035 1.499 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.076 -1.463 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.225 -0.187 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.902 -1.788 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.733 0.436 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.474 0.807 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.410 1.453 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.673 -1.921 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.931 -2.520 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.244 -0.894 -1.185 1.00 0.00 H new ATOM 1054 N ASP A 69 -15.065 0.021 -0.693 1.00 0.00 N ATOM 1055 CA ASP A 69 -16.106 0.853 -1.270 1.00 0.00 C ATOM 1056 C ASP A 69 -16.992 1.404 -0.151 1.00 0.00 C ATOM 1057 O ASP A 69 -17.273 2.601 -0.110 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.993 0.046 -2.221 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.687 0.866 -3.311 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -18.386 1.831 -2.936 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -17.502 0.508 -4.494 1.00 0.00 O ATOM 0 H ASP A 69 -15.156 -0.975 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.625 1.660 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.384 -0.722 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.754 -0.469 -1.635 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.408 0.505 0.728 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.256 0.886 1.845 1.00 0.00 C ATOM 1068 C ASP A 70 -17.720 2.175 2.470 1.00 0.00 C ATOM 1069 O ASP A 70 -18.493 3.054 2.848 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.263 -0.197 2.926 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.471 -0.167 3.864 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.730 0.922 4.421 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -20.109 -1.233 4.001 1.00 0.00 O ATOM 0 H ASP A 70 -17.174 -0.487 0.690 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.269 1.025 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.222 -1.173 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.356 -0.099 3.523 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.400 2.248 2.559 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.752 3.415 3.132 1.00 0.00 C ATOM 1080 C LEU A 71 -16.238 4.671 2.407 1.00 0.00 C ATOM 1081 O LEU A 71 -16.944 4.578 1.404 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.231 3.245 3.116 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.673 2.111 3.978 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -12.355 1.586 3.407 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.531 2.550 5.437 1.00 0.00 C ATOM 0 H LEU A 71 -15.762 1.518 2.244 1.00 0.00 H new ATOM 0 HA LEU A 71 -16.026 3.526 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.915 3.081 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.777 4.180 3.444 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.384 1.285 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.980 0.781 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.520 1.209 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.624 2.394 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.132 1.725 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.852 3.401 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.507 2.837 5.827 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.842 5.816 2.942 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.229 7.089 2.358 1.00 0.00 C ATOM 1099 C ALA A 72 -15.301 7.410 1.184 1.00 0.00 C ATOM 1100 O ALA A 72 -15.755 7.871 0.138 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.202 8.175 3.436 1.00 0.00 C ATOM 0 H ALA A 72 -15.257 5.889 3.774 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.247 7.040 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.492 9.130 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.899 7.914 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.195 8.255 3.847 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.019 7.152 1.397 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.024 7.407 0.369 1.00 0.00 C ATOM 1109 C ASP A 73 -11.635 7.071 0.916 1.00 0.00 C ATOM 1110 O ASP A 73 -11.200 7.647 1.912 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.026 8.880 -0.045 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.069 9.232 -1.186 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -12.396 8.862 -2.335 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.033 9.863 -0.884 1.00 0.00 O ATOM 0 H ASP A 73 -13.646 6.769 2.266 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.265 6.789 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.038 9.157 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.770 9.486 0.824 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.978 6.140 0.240 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.647 5.721 0.646 1.00 0.00 C ATOM 1121 C LEU A 74 -8.606 6.443 -0.211 1.00 0.00 C ATOM 1122 O LEU A 74 -8.762 6.547 -1.427 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.529 4.196 0.601 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.928 3.533 1.842 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -9.878 3.640 3.036 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.532 2.084 1.552 1.00 0.00 C ATOM 0 H LEU A 74 -11.342 5.664 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.458 6.003 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.523 3.779 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.922 3.924 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.017 4.069 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.426 3.161 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.066 4.690 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.819 3.145 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.108 1.636 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.413 1.520 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.792 2.062 0.752 1.00 0.00 H new ATOM 1138 N SER A 75 -7.567 6.924 0.456 1.00 0.00 N ATOM 1139 CA SER A 75 -6.501 7.634 -0.229 1.00 0.00 C ATOM 1140 C SER A 75 -5.144 7.212 0.337 1.00 0.00 C ATOM 1141 O SER A 75 -5.078 6.511 1.345 1.00 0.00 O ATOM 1142 CB SER A 75 -6.680 9.149 -0.106 1.00 0.00 C ATOM 1143 OG SER A 75 -7.998 9.561 -0.456 1.00 0.00 O ATOM 0 H SER A 75 -7.441 6.836 1.464 1.00 0.00 H new ATOM 0 HA SER A 75 -6.543 7.376 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.463 9.458 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.960 9.653 -0.751 1.00 0.00 H new ATOM 0 HG SER A 75 -8.072 10.534 -0.363 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.093 7.658 -0.337 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.741 7.335 0.086 1.00 0.00 C ATOM 1151 C CYS A 76 -1.800 8.418 -0.446 1.00 0.00 C ATOM 1152 O CYS A 76 -2.068 9.023 -1.483 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.322 5.938 -0.375 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.656 5.743 -2.164 1.00 0.00 S ATOM 0 H CYS A 76 -4.151 8.240 -1.173 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.693 7.316 1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.262 5.783 -0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.866 5.181 0.190 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.990 4.725 -2.621 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.717 8.629 0.288 1.00 0.00 N ATOM 1161 CA LEU A 77 0.265 9.628 -0.098 1.00 0.00 C ATOM 1162 C LEU A 77 1.590 8.935 -0.424 1.00 0.00 C ATOM 1163 O LEU A 77 2.176 8.274 0.433 1.00 0.00 O ATOM 1164 CB LEU A 77 0.384 10.706 0.981 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.858 11.571 1.205 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.487 11.983 -0.128 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.862 10.862 2.117 1.00 0.00 C ATOM 0 H LEU A 77 -0.498 8.125 1.148 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.054 10.147 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.640 10.222 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.216 11.360 0.722 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.551 12.485 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.368 12.597 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.764 12.554 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.778 11.092 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.736 11.498 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.169 9.922 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.398 10.661 3.082 1.00 0.00 H new ATOM 1179 N VAL A 78 2.023 9.109 -1.663 1.00 0.00 N ATOM 1180 CA VAL A 78 3.268 8.509 -2.113 1.00 0.00 C ATOM 1181 C VAL A 78 4.331 9.600 -2.260 1.00 0.00 C ATOM 1182 O VAL A 78 4.129 10.574 -2.983 1.00 0.00 O ATOM 1183 CB VAL A 78 3.034 7.724 -3.405 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.361 7.317 -4.047 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.149 6.502 -3.151 1.00 0.00 C ATOM 0 H VAL A 78 1.534 9.657 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 78 3.635 7.794 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 78 2.511 8.377 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.166 6.760 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.941 8.210 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.923 6.690 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.998 5.961 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.633 5.847 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.185 6.826 -2.760 1.00 0.00 H new ATOM 1195 N TYR A 79 5.439 9.399 -1.563 1.00 0.00 N ATOM 1196 CA TYR A 79 6.534 10.353 -1.607 1.00 0.00 C ATOM 1197 C TYR A 79 7.521 10.004 -2.723 1.00 0.00 C ATOM 1198 O TYR A 79 8.119 8.929 -2.715 1.00 0.00 O ATOM 1199 CB TYR A 79 7.248 10.239 -0.258 1.00 0.00 C ATOM 1200 CG TYR A 79 8.231 11.377 0.023 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.439 11.425 -0.642 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.911 12.354 0.944 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.365 12.496 -0.377 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.836 13.425 1.209 1.00 0.00 C ATOM 1205 CZ TYR A 79 10.018 13.443 0.536 1.00 0.00 C ATOM 1206 OH TYR A 79 10.892 14.454 0.786 1.00 0.00 O ATOM 0 H TYR A 79 5.602 8.589 -0.964 1.00 0.00 H new ATOM 0 HA TYR A 79 6.159 11.358 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.501 10.213 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.785 9.291 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.690 10.660 -1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.966 12.315 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.313 12.546 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.597 14.197 1.926 1.00 0.00 H new ATOM 0 HH TYR A 79 10.511 15.057 1.458 1.00 0.00 H new ATOM 1216 N ARG A 80 7.661 10.934 -3.658 1.00 0.00 N ATOM 1217 CA ARG A 80 8.564 10.738 -4.778 1.00 0.00 C ATOM 1218 C ARG A 80 9.795 11.635 -4.631 1.00 0.00 C ATOM 1219 O ARG A 80 9.718 12.842 -4.855 1.00 0.00 O ATOM 1220 CB ARG A 80 7.871 11.049 -6.106 1.00 0.00 C ATOM 1221 CG ARG A 80 7.080 12.356 -6.018 1.00 0.00 C ATOM 1222 CD ARG A 80 7.021 13.054 -7.379 1.00 0.00 C ATOM 1223 NE ARG A 80 5.729 13.759 -7.530 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.292 14.287 -8.682 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.040 14.191 -9.789 1.00 0.00 N ATOM 1226 NH2 ARG A 80 4.107 14.910 -8.726 1.00 0.00 N ATOM 0 H ARG A 80 7.164 11.825 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 80 8.870 9.692 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.614 11.122 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.201 10.231 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.069 12.150 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.544 13.017 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.844 13.763 -7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.141 12.322 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 80 5.134 13.849 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.942 13.716 -9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.707 14.593 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.537 14.983 -7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.774 15.312 -9.602 1.00 0.00 H new ATOM 1240 N ALA A 81 10.902 11.011 -4.255 1.00 0.00 N ATOM 1241 CA ALA A 81 12.147 11.738 -4.075 1.00 0.00 C ATOM 1242 C ALA A 81 12.364 12.672 -5.268 1.00 0.00 C ATOM 1243 O ALA A 81 13.036 13.695 -5.146 1.00 0.00 O ATOM 1244 CB ALA A 81 13.297 10.745 -3.896 1.00 0.00 C ATOM 0 H ALA A 81 10.962 10.010 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 81 12.105 12.354 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.231 11.290 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.109 10.125 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.371 10.111 -4.780 1.00 0.00 H new ATOM 1250 N ASP A 82 11.782 12.286 -6.394 1.00 0.00 N ATOM 1251 CA ASP A 82 11.904 13.076 -7.608 1.00 0.00 C ATOM 1252 C ASP A 82 11.787 14.561 -7.259 1.00 0.00 C ATOM 1253 O ASP A 82 12.689 15.344 -7.553 1.00 0.00 O ATOM 1254 CB ASP A 82 10.791 12.735 -8.601 1.00 0.00 C ATOM 1255 CG ASP A 82 11.181 12.852 -10.075 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.315 13.316 -10.327 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.338 12.476 -10.918 1.00 0.00 O ATOM 0 H ASP A 82 11.225 11.437 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 82 12.871 12.854 -8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.454 11.716 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.942 13.392 -8.412 1.00 0.00 H new ATOM 1262 N THR A 83 10.669 14.903 -6.635 1.00 0.00 N ATOM 1263 CA THR A 83 10.423 16.280 -6.243 1.00 0.00 C ATOM 1264 C THR A 83 10.101 16.360 -4.749 1.00 0.00 C ATOM 1265 O THR A 83 9.620 17.384 -4.268 1.00 0.00 O ATOM 1266 CB THR A 83 9.310 16.834 -7.135 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.234 15.917 -6.957 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.647 16.731 -8.624 1.00 0.00 C ATOM 0 H THR A 83 9.924 14.250 -6.391 1.00 0.00 H new ATOM 0 HA THR A 83 11.311 16.896 -6.386 1.00 0.00 H new ATOM 0 HB THR A 83 9.123 17.876 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.469 16.201 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.824 17.138 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.556 17.296 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.801 15.685 -8.891 1.00 0.00 H new ATOM 1276 N GLN A 84 10.380 15.264 -4.057 1.00 0.00 N ATOM 1277 CA GLN A 84 10.126 15.197 -2.628 1.00 0.00 C ATOM 1278 C GLN A 84 8.754 15.792 -2.304 1.00 0.00 C ATOM 1279 O GLN A 84 8.656 16.766 -1.560 1.00 0.00 O ATOM 1280 CB GLN A 84 11.230 15.905 -1.841 1.00 0.00 C ATOM 1281 CG GLN A 84 12.495 15.047 -1.778 1.00 0.00 C ATOM 1282 CD GLN A 84 13.710 15.822 -2.292 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.992 16.933 -1.873 1.00 0.00 O ATOM 1284 NE2 GLN A 84 14.410 15.177 -3.221 1.00 0.00 N ATOM 0 H GLN A 84 10.779 14.416 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 84 10.126 14.149 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.459 16.862 -2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.881 16.120 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.671 14.727 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.357 14.144 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.118 14.249 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.239 15.611 -3.628 1.00 0.00 H new ATOM 1293 N THR A 85 7.728 15.181 -2.880 1.00 0.00 N ATOM 1294 CA THR A 85 6.366 15.638 -2.662 1.00 0.00 C ATOM 1295 C THR A 85 5.419 14.445 -2.523 1.00 0.00 C ATOM 1296 O THR A 85 5.739 13.340 -2.959 1.00 0.00 O ATOM 1297 CB THR A 85 5.994 16.579 -3.810 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.793 17.207 -3.368 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.577 15.825 -5.074 1.00 0.00 C ATOM 0 H THR A 85 7.813 14.373 -3.497 1.00 0.00 H new ATOM 0 HA THR A 85 6.279 16.192 -1.727 1.00 0.00 H new ATOM 0 HB THR A 85 6.841 17.227 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.482 17.836 -4.052 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.324 16.540 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.401 15.195 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.709 15.202 -4.857 1.00 0.00 H new ATOM 1307 N TYR A 86 4.272 14.709 -1.914 1.00 0.00 N ATOM 1308 CA TYR A 86 3.277 13.670 -1.712 1.00 0.00 C ATOM 1309 C TYR A 86 2.101 13.843 -2.676 1.00 0.00 C ATOM 1310 O TYR A 86 1.476 14.901 -2.715 1.00 0.00 O ATOM 1311 CB TYR A 86 2.773 13.841 -0.277 1.00 0.00 C ATOM 1312 CG TYR A 86 1.822 15.025 -0.088 1.00 0.00 C ATOM 1313 CD1 TYR A 86 2.329 16.297 0.085 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.457 14.820 -0.092 1.00 0.00 C ATOM 1315 CE1 TYR A 86 1.433 17.410 0.263 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.438 15.934 0.086 1.00 0.00 C ATOM 1317 CZ TYR A 86 0.094 17.174 0.254 1.00 0.00 C ATOM 1318 OH TYR A 86 -0.752 18.226 0.422 1.00 0.00 O ATOM 0 H TYR A 86 4.010 15.627 -1.554 1.00 0.00 H new ATOM 0 HA TYR A 86 3.709 12.685 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.264 12.927 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.629 13.967 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.397 16.457 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.060 13.825 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.816 18.410 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.508 15.788 0.086 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.679 17.909 0.392 1.00 0.00 H new ATOM 1328 N GLN A 87 1.835 12.786 -3.430 1.00 0.00 N ATOM 1329 CA GLN A 87 0.746 12.808 -4.391 1.00 0.00 C ATOM 1330 C GLN A 87 -0.462 12.046 -3.841 1.00 0.00 C ATOM 1331 O GLN A 87 -0.383 10.843 -3.597 1.00 0.00 O ATOM 1332 CB GLN A 87 1.191 12.232 -5.737 1.00 0.00 C ATOM 1333 CG GLN A 87 1.436 13.347 -6.756 1.00 0.00 C ATOM 1334 CD GLN A 87 0.203 14.243 -6.895 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.027 15.216 -6.179 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -0.637 13.862 -7.853 1.00 0.00 N ATOM 0 H GLN A 87 2.355 11.909 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 87 0.453 13.845 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.103 11.649 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.429 11.550 -6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.292 13.946 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.685 12.912 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.429 13.037 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.490 14.395 -8.025 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.581 12.797 -3.658 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.803 12.206 -3.142 1.00 0.00 C ATOM 1347 C PRO A 88 -3.501 11.366 -4.214 1.00 0.00 C ATOM 1348 O PRO A 88 -4.052 11.908 -5.170 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.641 13.383 -2.670 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.064 14.608 -3.360 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.710 14.225 -3.936 1.00 0.00 C ATOM 0 HA PRO A 88 -2.621 11.511 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.690 13.245 -2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.594 13.487 -1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.732 14.951 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.959 15.430 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.663 14.426 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.906 14.794 -3.469 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.455 10.057 -4.017 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.076 9.137 -4.955 1.00 0.00 C ATOM 1361 C TYR A 89 -5.459 8.704 -4.464 1.00 0.00 C ATOM 1362 O TYR A 89 -5.902 9.124 -3.397 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.161 7.912 -5.013 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.804 8.178 -5.666 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.617 9.313 -6.430 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.767 7.285 -5.493 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.339 9.563 -7.046 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.511 7.535 -6.108 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.661 8.662 -6.854 1.00 0.00 C ATOM 1370 OH TYR A 89 1.868 8.900 -7.435 1.00 0.00 O ATOM 0 H TYR A 89 -2.997 9.611 -3.222 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.203 9.610 -5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.999 7.544 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.668 7.119 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.428 10.013 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.914 6.397 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.179 10.446 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.331 6.844 -5.980 1.00 0.00 H new ATOM 0 HH TYR A 89 2.487 8.174 -7.212 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.102 7.869 -5.267 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.425 7.374 -4.928 1.00 0.00 C ATOM 1382 C ASN A 90 -7.301 5.976 -4.319 1.00 0.00 C ATOM 1383 O ASN A 90 -6.206 5.421 -4.246 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.310 7.271 -6.172 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.731 8.659 -6.661 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -7.916 9.494 -7.016 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.046 8.856 -6.660 1.00 0.00 N ATOM 0 H ASN A 90 -5.731 7.523 -6.152 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.875 8.072 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.772 6.750 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.195 6.677 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.428 9.750 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.673 8.113 -6.350 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.440 5.446 -3.897 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.473 4.124 -3.297 1.00 0.00 C ATOM 1396 C LYS A 91 -8.100 3.080 -4.352 1.00 0.00 C ATOM 1397 O LYS A 91 -7.362 2.139 -4.065 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.829 3.870 -2.633 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.949 3.823 -3.674 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.287 3.467 -3.024 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.863 4.664 -2.265 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.285 4.868 -2.622 1.00 0.00 N ATOM 0 H LYS A 91 -9.347 5.909 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.734 4.050 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.798 2.929 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.035 4.656 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.028 4.789 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.706 3.088 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.992 3.143 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.152 2.629 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.771 4.500 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.290 5.561 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.661 5.684 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.364 5.046 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.830 4.017 -2.375 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.628 3.282 -5.550 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.359 2.370 -6.649 1.00 0.00 C ATOM 1418 C ASP A 92 -6.856 2.099 -6.726 1.00 0.00 C ATOM 1419 O ASP A 92 -6.433 0.949 -6.832 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.800 2.973 -7.985 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.437 1.983 -8.962 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -8.662 1.317 -9.681 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.685 1.914 -8.967 1.00 0.00 O ATOM 0 H ASP A 92 -9.240 4.063 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.914 1.450 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.512 3.774 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.933 3.428 -8.465 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.089 3.178 -6.669 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.641 3.071 -6.731 1.00 0.00 C ATOM 1430 C TRP A 93 -4.187 2.142 -5.603 1.00 0.00 C ATOM 1431 O TRP A 93 -3.209 1.410 -5.753 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.986 4.453 -6.667 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.457 4.418 -6.702 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.646 4.774 -7.708 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.582 3.988 -5.638 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.319 4.606 -7.372 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.278 4.113 -6.073 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.882 3.510 -4.350 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.829 3.779 -5.283 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.765 3.181 -3.573 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.554 3.300 -3.996 1.00 0.00 C ATOM 0 H TRP A 93 -6.443 4.131 -6.581 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.326 2.643 -7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.345 5.053 -7.503 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.307 4.954 -5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.989 5.146 -8.662 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.485 4.807 -7.967 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.894 3.405 -3.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.840 3.885 -5.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.940 2.808 -2.575 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.363 3.024 -3.335 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.919 2.200 -4.500 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.603 1.373 -3.349 1.00 0.00 C ATOM 1454 C ILE A 94 -5.117 -0.048 -3.591 1.00 0.00 C ATOM 1455 O ILE A 94 -4.432 -1.021 -3.282 1.00 0.00 O ATOM 1456 CB ILE A 94 -5.142 2.011 -2.067 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.686 3.467 -1.946 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.755 1.185 -0.838 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.732 4.310 -1.213 1.00 0.00 C ATOM 0 H ILE A 94 -5.730 2.807 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.524 1.304 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.231 2.017 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.738 3.512 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.511 3.881 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.151 1.661 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.169 0.181 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.669 1.124 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.383 5.340 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.672 4.283 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.887 3.908 -0.212 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.320 -0.122 -4.141 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.934 -1.407 -4.428 1.00 0.00 C ATOM 1473 C LYS A 95 -6.062 -2.172 -5.426 1.00 0.00 C ATOM 1474 O LYS A 95 -6.227 -3.379 -5.602 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.380 -1.219 -4.893 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.190 -0.433 -3.860 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.691 -0.560 -4.128 1.00 0.00 C ATOM 1478 CE LYS A 95 -11.005 -0.334 -5.608 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.420 -0.660 -5.894 1.00 0.00 N ATOM 0 H LYS A 95 -6.886 0.687 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.991 -2.012 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.393 -0.693 -5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.842 -2.192 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.963 -0.800 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.900 0.617 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.035 -1.549 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.235 0.165 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.804 0.704 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.352 -0.953 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.616 -0.501 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.601 -1.657 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.039 -0.052 -5.321 1.00 0.00 H new ATOM 1493 N GLU A 96 -5.153 -1.440 -6.052 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.255 -2.034 -7.028 1.00 0.00 C ATOM 1495 C GLU A 96 -2.964 -2.495 -6.348 1.00 0.00 C ATOM 1496 O GLU A 96 -2.567 -3.652 -6.480 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.957 -1.057 -8.166 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.225 -0.739 -8.962 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.499 -1.818 -10.011 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.795 -2.957 -9.591 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -5.406 -1.479 -11.211 1.00 0.00 O ATOM 0 H GLU A 96 -5.019 -0.440 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.746 -2.905 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.538 -0.136 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.205 -1.484 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.075 -0.662 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.119 0.230 -9.451 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.343 -1.565 -5.637 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.105 -1.861 -4.937 1.00 0.00 C ATOM 1510 C LYS A 97 -1.319 -3.066 -4.018 1.00 0.00 C ATOM 1511 O LYS A 97 -0.592 -4.055 -4.106 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.590 -0.618 -4.209 1.00 0.00 C ATOM 1513 CG LYS A 97 0.801 -0.225 -4.712 1.00 0.00 C ATOM 1514 CD LYS A 97 0.771 0.103 -6.206 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.249 1.203 -6.506 1.00 0.00 C ATOM 1516 NZ LYS A 97 -1.393 0.654 -7.268 1.00 0.00 N ATOM 0 H LYS A 97 -2.674 -0.606 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.323 -2.134 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.283 0.210 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.552 -0.810 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.163 0.638 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.502 -1.040 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.761 0.422 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.522 -0.793 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.603 1.643 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.226 2.002 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.437 1.107 -8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.271 -0.372 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.276 0.841 -6.751 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.319 -2.945 -3.159 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.638 -4.012 -2.225 1.00 0.00 C ATOM 1532 C ILE A 98 -2.563 -5.357 -2.950 1.00 0.00 C ATOM 1533 O ILE A 98 -1.790 -6.233 -2.563 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.987 -3.750 -1.553 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.308 -4.838 -0.526 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -5.098 -3.599 -2.593 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.488 -4.428 0.357 1.00 0.00 C ATOM 0 H ILE A 98 -2.920 -2.124 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.907 -4.043 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.921 -2.806 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.541 -5.771 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.432 -5.026 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.046 -3.414 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.868 -2.762 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.173 -4.514 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.695 -5.219 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.243 -3.508 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.368 -4.264 -0.265 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.375 -5.479 -3.989 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.410 -6.703 -4.772 1.00 0.00 C ATOM 1551 C TYR A 99 -1.998 -7.148 -5.158 1.00 0.00 C ATOM 1552 O TYR A 99 -1.644 -8.314 -4.992 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.192 -6.368 -6.044 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.183 -7.483 -7.091 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.014 -7.798 -7.753 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.344 -8.173 -7.375 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.006 -8.848 -8.739 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.336 -9.222 -8.361 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.167 -9.508 -8.995 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.159 -10.499 -9.926 1.00 0.00 O ATOM 0 H TYR A 99 -4.014 -4.751 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.867 -7.511 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.224 -6.144 -5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.775 -5.464 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.105 -7.258 -7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.259 -7.926 -6.857 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.098 -9.105 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.238 -9.770 -8.592 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.058 -10.883 -10.003 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.230 -6.195 -5.666 1.00 0.00 N ATOM 1571 CA VAL A 100 0.135 -6.474 -6.077 1.00 0.00 C ATOM 1572 C VAL A 100 0.981 -6.787 -4.841 1.00 0.00 C ATOM 1573 O VAL A 100 1.933 -7.562 -4.916 1.00 0.00 O ATOM 1574 CB VAL A 100 0.684 -5.305 -6.897 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.058 -5.641 -7.479 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.296 -4.901 -8.000 1.00 0.00 C ATOM 0 H VAL A 100 -1.527 -5.229 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 100 0.168 -7.351 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 100 0.804 -4.453 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.425 -4.793 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.754 -5.856 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.975 -6.514 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.119 -4.068 -8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.463 -5.747 -8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.243 -4.599 -7.553 1.00 0.00 H new ATOM 1586 N LEU A 101 0.603 -6.168 -3.732 1.00 0.00 N ATOM 1587 CA LEU A 101 1.315 -6.371 -2.482 1.00 0.00 C ATOM 1588 C LEU A 101 1.194 -7.837 -2.063 1.00 0.00 C ATOM 1589 O LEU A 101 2.076 -8.370 -1.392 1.00 0.00 O ATOM 1590 CB LEU A 101 0.825 -5.385 -1.420 1.00 0.00 C ATOM 1591 CG LEU A 101 0.869 -5.881 0.027 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.059 -5.278 0.777 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.456 -5.609 0.741 1.00 0.00 C ATOM 0 H LEU A 101 -0.187 -5.526 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 101 2.377 -6.163 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.425 -4.478 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.202 -5.107 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 101 1.011 -6.962 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.067 -5.647 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.986 -5.566 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.973 -4.191 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.397 -5.971 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.654 -4.537 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.263 -6.124 0.220 1.00 0.00 H new ATOM 1605 N LEU A 102 0.094 -8.449 -2.477 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.154 -9.843 -2.153 1.00 0.00 C ATOM 1607 C LEU A 102 0.584 -10.734 -3.154 1.00 0.00 C ATOM 1608 O LEU A 102 0.911 -11.880 -2.848 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.658 -10.117 -2.079 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.411 -9.423 -0.942 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.439 -8.880 0.107 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.338 -8.333 -1.484 1.00 0.00 C ATOM 0 H LEU A 102 -0.636 -8.004 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 102 0.239 -10.080 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.109 -9.815 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.807 -11.193 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.040 -10.163 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.999 -8.392 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.857 -9.702 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.767 -8.159 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.861 -7.855 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.749 -7.588 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.065 -8.778 -2.164 1.00 0.00 H new ATOM 1624 N ARG A 103 0.826 -10.174 -4.330 1.00 0.00 N ATOM 1625 CA ARG A 103 1.520 -10.903 -5.378 1.00 0.00 C ATOM 1626 C ARG A 103 2.949 -11.232 -4.939 1.00 0.00 C ATOM 1627 O ARG A 103 3.338 -12.398 -4.902 1.00 0.00 O ATOM 1628 CB ARG A 103 1.566 -10.093 -6.675 1.00 0.00 C ATOM 1629 CG ARG A 103 0.156 -9.838 -7.212 1.00 0.00 C ATOM 1630 CD ARG A 103 -0.566 -11.155 -7.503 1.00 0.00 C ATOM 1631 NE ARG A 103 0.350 -12.096 -8.184 1.00 0.00 N ATOM 1632 CZ ARG A 103 0.201 -13.427 -8.179 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -0.830 -13.983 -7.527 1.00 0.00 N ATOM 1634 NH2 ARG A 103 1.082 -14.203 -8.824 1.00 0.00 N ATOM 0 H ARG A 103 0.554 -9.223 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 103 0.970 -11.826 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.069 -9.142 -6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.152 -10.628 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.414 -9.259 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.212 -9.241 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.926 -11.595 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.440 -10.970 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 103 1.146 -11.706 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.501 -13.392 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.944 -14.997 -7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.867 -13.780 -9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.968 -15.217 -8.820 1.00 0.00 H new ATOM 1648 N ARG A 104 3.691 -10.183 -4.617 1.00 0.00 N ATOM 1649 CA ARG A 104 5.068 -10.345 -4.182 1.00 0.00 C ATOM 1650 C ARG A 104 5.116 -11.052 -2.826 1.00 0.00 C ATOM 1651 O ARG A 104 5.951 -11.929 -2.609 1.00 0.00 O ATOM 1652 CB ARG A 104 5.773 -8.992 -4.069 1.00 0.00 C ATOM 1653 CG ARG A 104 5.156 -8.143 -2.956 1.00 0.00 C ATOM 1654 CD ARG A 104 5.525 -6.668 -3.123 1.00 0.00 C ATOM 1655 NE ARG A 104 6.835 -6.398 -2.491 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.614 -5.351 -2.794 1.00 0.00 C ATOM 1657 NH1 ARG A 104 7.219 -4.468 -3.722 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.788 -5.186 -2.169 1.00 0.00 N ATOM 0 H ARG A 104 3.365 -9.217 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 104 5.583 -10.949 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.833 -9.146 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.702 -8.461 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.072 -8.254 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.502 -8.501 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.564 -6.412 -4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.758 -6.040 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 104 7.166 -7.050 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.325 -4.593 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.812 -3.671 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.089 -5.858 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.381 -4.389 -2.400 1.00 0.00 H new ATOM 1672 N GLN A 105 4.210 -10.644 -1.949 1.00 0.00 N ATOM 1673 CA GLN A 105 4.139 -11.228 -0.621 1.00 0.00 C ATOM 1674 C GLN A 105 4.228 -12.753 -0.705 1.00 0.00 C ATOM 1675 O GLN A 105 4.803 -13.395 0.173 1.00 0.00 O ATOM 1676 CB GLN A 105 2.863 -10.792 0.102 1.00 0.00 C ATOM 1677 CG GLN A 105 3.148 -9.645 1.073 1.00 0.00 C ATOM 1678 CD GLN A 105 2.586 -9.951 2.463 1.00 0.00 C ATOM 1679 OE1 GLN A 105 2.930 -10.934 3.098 1.00 0.00 O ATOM 1680 NE2 GLN A 105 1.703 -9.056 2.899 1.00 0.00 N ATOM 0 H GLN A 105 3.519 -9.916 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 105 4.988 -10.866 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.116 -10.479 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.442 -11.638 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.223 -9.479 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.706 -8.724 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.459 -8.255 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.270 -9.171 3.815 1.00 0.00 H new