USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 8 GLN : amide:sc= -4.38! C(o=-4.4!,f=-9!) USER MOD Set 1.2: A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.919 X(o=-0.92,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.119) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 39 ASN : amide:sc= -1.72 K(o=-1.7,f=-11!) USER MOD Single : A 40 HIS : no HD1:sc= -9.72! C(o=-9.7!,f=-12!) USER MOD Single : A 42 ASN :FLIP amide:sc= 1.25 F(o=-0.21,f=1.3) USER MOD Single : A 46 SER OG : rot -150:sc= -0.0133 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00735) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00347) USER MOD Single : A 53 LYS NZ :NH3+ -135:sc= -0.013 (180deg=-0.168) USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -4.84! (180deg=-10.4!) USER MOD Single : A 63 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 72 THR OG1 : rot 75:sc= 0.295 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -1.35 X(o=-1.3,f=-1.4) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.219 F(o=-0.97,f=-0.22) USER MOD Single : A 79 ASN : amide:sc= -0.537 K(o=-0.54,f=-2.5!) USER MOD Single : A 80 MET CE :methyl 155:sc= -3.43 (180deg=-3.8) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -65:sc= -0.219 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -4.886 4.257 -7.620 1.00 0.00 N ATOM 169 CA ASN A 7 -5.104 3.007 -6.901 1.00 0.00 C ATOM 170 C ASN A 7 -4.249 1.887 -7.485 1.00 0.00 C ATOM 171 O ASN A 7 -4.209 1.693 -8.699 1.00 0.00 O ATOM 172 CB ASN A 7 -6.583 2.616 -6.955 1.00 0.00 C ATOM 173 CG ASN A 7 -7.496 3.741 -6.508 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.094 4.611 -5.736 1.00 0.00 O ATOM 175 ND2 ASN A 7 -8.732 3.728 -6.994 1.00 0.00 N ATOM 0 HA ASN A 7 -4.812 3.158 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.842 2.325 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.749 1.744 -6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.392 4.460 -6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -9.022 2.986 -7.632 1.00 0.00 H new ATOM 182 N GLN A 8 -3.566 1.154 -6.611 1.00 0.00 N ATOM 183 CA GLN A 8 -2.711 0.054 -7.040 1.00 0.00 C ATOM 184 C GLN A 8 -3.302 -1.288 -6.623 1.00 0.00 C ATOM 185 O GLN A 8 -4.069 -1.371 -5.664 1.00 0.00 O ATOM 186 CB GLN A 8 -1.308 0.211 -6.453 1.00 0.00 C ATOM 187 CG GLN A 8 -0.376 -0.943 -6.783 1.00 0.00 C ATOM 188 CD GLN A 8 -0.446 -2.061 -5.762 1.00 0.00 C ATOM 189 OE1 GLN A 8 -1.411 -2.165 -5.005 1.00 0.00 O ATOM 190 NE2 GLN A 8 0.581 -2.902 -5.734 1.00 0.00 N ATOM 0 H GLN A 8 -3.588 1.302 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.646 0.080 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.870 1.138 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.385 0.306 -5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.628 -1.339 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.648 -0.573 -6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.360 -2.777 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.591 -3.673 -5.066 1.00 0.00 H new ATOM 199 N THR A 9 -2.939 -2.341 -7.351 1.00 0.00 N ATOM 200 CA THR A 9 -3.434 -3.680 -7.058 1.00 0.00 C ATOM 201 C THR A 9 -2.296 -4.610 -6.651 1.00 0.00 C ATOM 202 O THR A 9 -1.171 -4.480 -7.134 1.00 0.00 O ATOM 203 CB THR A 9 -4.168 -4.285 -8.269 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.429 -4.029 -9.469 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.569 -3.705 -8.397 1.00 0.00 C ATOM 0 H THR A 9 -2.304 -2.291 -8.148 1.00 0.00 H new ATOM 0 HA THR A 9 -4.135 -3.583 -6.229 1.00 0.00 H new ATOM 0 HB THR A 9 -4.249 -5.361 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.902 -4.419 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.068 -4.147 -9.259 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.139 -3.927 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.505 -2.625 -8.529 1.00 0.00 H new ATOM 213 N VAL A 10 -2.596 -5.550 -5.760 1.00 0.00 N ATOM 214 CA VAL A 10 -1.598 -6.504 -5.290 1.00 0.00 C ATOM 215 C VAL A 10 -1.941 -7.921 -5.734 1.00 0.00 C ATOM 216 O VAL A 10 -3.113 -8.278 -5.855 1.00 0.00 O ATOM 217 CB VAL A 10 -1.473 -6.474 -3.755 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.246 -7.251 -3.305 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.420 -5.039 -3.254 1.00 0.00 C ATOM 0 H VAL A 10 -3.522 -5.671 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.645 -6.209 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.353 -6.952 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.174 -7.219 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.331 -8.287 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.648 -6.805 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.332 -5.036 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.558 -4.533 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.332 -4.518 -3.545 1.00 0.00 H new ATOM 229 N ASP A 11 -0.911 -8.725 -5.974 1.00 0.00 N ATOM 230 CA ASP A 11 -1.103 -10.106 -6.403 1.00 0.00 C ATOM 231 C ASP A 11 -0.703 -11.078 -5.297 1.00 0.00 C ATOM 232 O ASP A 11 0.304 -10.881 -4.618 1.00 0.00 O ATOM 233 CB ASP A 11 -0.289 -10.387 -7.666 1.00 0.00 C ATOM 234 CG ASP A 11 -0.666 -11.705 -8.316 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.803 -12.171 -8.096 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.178 -12.271 -9.043 1.00 0.00 O ATOM 0 H ASP A 11 0.065 -8.445 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.161 -10.250 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.440 -9.577 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.772 -10.399 -7.416 1.00 0.00 H new ATOM 241 N ILE A 12 -1.499 -12.128 -5.123 1.00 0.00 N ATOM 242 CA ILE A 12 -1.228 -13.130 -4.101 1.00 0.00 C ATOM 243 C ILE A 12 -1.236 -14.537 -4.693 1.00 0.00 C ATOM 244 O ILE A 12 -2.136 -14.916 -5.442 1.00 0.00 O ATOM 245 CB ILE A 12 -2.258 -13.062 -2.958 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.069 -11.778 -2.149 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.133 -14.283 -2.059 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.264 -11.420 -1.294 1.00 0.00 C ATOM 0 H ILE A 12 -2.337 -12.306 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.238 -12.912 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.259 -13.054 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.194 -11.888 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.862 -10.955 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.867 -14.220 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.311 -15.185 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.131 -14.319 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.058 -10.499 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.137 -11.278 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.459 -12.225 -0.585 1.00 0.00 H new ATOM 260 N PRO A 13 -0.210 -15.329 -4.350 1.00 0.00 N ATOM 261 CA PRO A 13 -0.078 -16.706 -4.835 1.00 0.00 C ATOM 262 C PRO A 13 -1.125 -17.637 -4.233 1.00 0.00 C ATOM 263 O PRO A 13 -2.036 -17.191 -3.536 1.00 0.00 O ATOM 264 CB PRO A 13 1.325 -17.110 -4.373 1.00 0.00 C ATOM 265 CG PRO A 13 1.600 -16.245 -3.192 1.00 0.00 C ATOM 266 CD PRO A 13 0.899 -14.942 -3.461 1.00 0.00 C ATOM 0 HA PRO A 13 -0.224 -16.774 -5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.365 -18.166 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.062 -16.951 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.230 -16.706 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.671 -16.092 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.536 -14.484 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.562 -14.220 -3.937 1.00 0.00 H new ATOM 274 N GLU A 14 -0.988 -18.930 -4.507 1.00 0.00 N ATOM 275 CA GLU A 14 -1.925 -19.922 -3.992 1.00 0.00 C ATOM 276 C GLU A 14 -1.370 -20.595 -2.740 1.00 0.00 C ATOM 277 O GLU A 14 -2.114 -21.190 -1.961 1.00 0.00 O ATOM 278 CB GLU A 14 -2.225 -20.975 -5.061 1.00 0.00 C ATOM 279 CG GLU A 14 -3.541 -21.703 -4.845 1.00 0.00 C ATOM 280 CD GLU A 14 -4.003 -22.453 -6.080 1.00 0.00 C ATOM 281 OE1 GLU A 14 -3.441 -23.529 -6.366 1.00 0.00 O ATOM 282 OE2 GLU A 14 -4.929 -21.961 -6.758 1.00 0.00 O ATOM 0 H GLU A 14 -0.239 -19.315 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.850 -19.409 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.242 -20.494 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.415 -21.704 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.432 -22.405 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.306 -20.984 -4.554 1.00 0.00 H new ATOM 289 N ASN A 15 -0.058 -20.498 -2.556 1.00 0.00 N ATOM 290 CA ASN A 15 0.598 -21.099 -1.400 1.00 0.00 C ATOM 291 C ASN A 15 0.544 -20.162 -0.197 1.00 0.00 C ATOM 292 O ASN A 15 1.275 -20.343 0.778 1.00 0.00 O ATOM 293 CB ASN A 15 2.053 -21.437 -1.731 1.00 0.00 C ATOM 294 CG ASN A 15 2.663 -22.404 -0.735 1.00 0.00 C ATOM 295 OD1 ASN A 15 1.989 -23.306 -0.236 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.945 -22.220 -0.440 1.00 0.00 N ATOM 0 H ASN A 15 0.572 -20.009 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 15 0.067 -22.017 -1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.104 -21.869 -2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.641 -20.519 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.409 -22.839 0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.465 -21.459 -0.878 1.00 0.00 H new ATOM 303 N VAL A 16 -0.327 -19.161 -0.271 1.00 0.00 N ATOM 304 CA VAL A 16 -0.478 -18.197 0.812 1.00 0.00 C ATOM 305 C VAL A 16 -1.943 -17.826 1.018 1.00 0.00 C ATOM 306 O VAL A 16 -2.712 -17.738 0.059 1.00 0.00 O ATOM 307 CB VAL A 16 0.331 -16.915 0.540 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.290 -15.991 1.747 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.766 -17.260 0.171 1.00 0.00 C ATOM 0 H VAL A 16 -0.939 -18.996 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.096 -18.674 1.715 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.122 -16.392 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.867 -15.091 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.743 -15.718 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.717 -16.501 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.324 -16.343 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.232 -17.805 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.772 -17.880 -0.726 1.00 0.00 H new ATOM 319 N ASP A 17 -2.322 -17.609 2.271 1.00 0.00 N ATOM 320 CA ASP A 17 -3.696 -17.246 2.603 1.00 0.00 C ATOM 321 C ASP A 17 -3.745 -15.893 3.305 1.00 0.00 C ATOM 322 O ASP A 17 -3.080 -15.685 4.321 1.00 0.00 O ATOM 323 CB ASP A 17 -4.329 -18.319 3.491 1.00 0.00 C ATOM 324 CG ASP A 17 -4.977 -19.427 2.685 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.505 -19.136 1.591 1.00 0.00 O ATOM 326 OD2 ASP A 17 -4.957 -20.588 3.148 1.00 0.00 O ATOM 0 H ASP A 17 -1.698 -17.678 3.075 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.262 -17.174 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.565 -18.745 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.077 -17.858 4.137 1.00 0.00 H new ATOM 331 N ILE A 18 -4.535 -14.977 2.759 1.00 0.00 N ATOM 332 CA ILE A 18 -4.671 -13.644 3.333 1.00 0.00 C ATOM 333 C ILE A 18 -6.118 -13.358 3.723 1.00 0.00 C ATOM 334 O ILE A 18 -7.046 -13.640 2.964 1.00 0.00 O ATOM 335 CB ILE A 18 -4.192 -12.557 2.353 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.715 -12.764 2.009 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.414 -11.174 2.945 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.475 -13.899 1.040 1.00 0.00 C ATOM 0 H ILE A 18 -5.092 -15.133 1.919 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.045 -13.620 4.225 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.774 -12.635 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.317 -11.843 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.160 -12.957 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.070 -10.417 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.476 -11.029 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.855 -11.083 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.407 -13.988 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.843 -14.830 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.002 -13.699 0.107 1.00 0.00 H new ATOM 350 N THR A 19 -6.303 -12.795 4.914 1.00 0.00 N ATOM 351 CA THR A 19 -7.636 -12.470 5.405 1.00 0.00 C ATOM 352 C THR A 19 -7.797 -10.968 5.606 1.00 0.00 C ATOM 353 O THR A 19 -7.046 -10.347 6.360 1.00 0.00 O ATOM 354 CB THR A 19 -7.934 -13.188 6.736 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.684 -14.592 6.600 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.378 -12.964 7.160 1.00 0.00 C ATOM 0 H THR A 19 -5.547 -12.555 5.555 1.00 0.00 H new ATOM 0 HA THR A 19 -8.343 -12.811 4.649 1.00 0.00 H new ATOM 0 HB THR A 19 -7.279 -12.774 7.502 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.874 -15.042 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.565 -13.480 8.102 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.558 -11.897 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.047 -13.355 6.393 1.00 0.00 H new ATOM 364 N LEU A 20 -8.781 -10.387 4.927 1.00 0.00 N ATOM 365 CA LEU A 20 -9.041 -8.956 5.033 1.00 0.00 C ATOM 366 C LEU A 20 -10.199 -8.680 5.986 1.00 0.00 C ATOM 367 O LEU A 20 -11.318 -9.149 5.775 1.00 0.00 O ATOM 368 CB LEU A 20 -9.353 -8.372 3.653 1.00 0.00 C ATOM 369 CG LEU A 20 -8.250 -8.509 2.602 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.708 -7.934 1.271 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.977 -7.821 3.072 1.00 0.00 C ATOM 0 H LEU A 20 -9.411 -10.885 4.298 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.146 -8.478 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.253 -8.854 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.584 -7.314 3.772 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.036 -9.569 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.911 -8.040 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.592 -8.471 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.950 -6.878 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.203 -7.929 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.176 -6.763 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.638 -8.278 4.002 1.00 0.00 H new ATOM 383 N LYS A 21 -9.924 -7.915 7.038 1.00 0.00 N ATOM 384 CA LYS A 21 -10.942 -7.574 8.024 1.00 0.00 C ATOM 385 C LYS A 21 -11.022 -6.064 8.223 1.00 0.00 C ATOM 386 O LYS A 21 -10.206 -5.479 8.933 1.00 0.00 O ATOM 387 CB LYS A 21 -10.640 -8.260 9.357 1.00 0.00 C ATOM 388 CG LYS A 21 -11.138 -9.693 9.431 1.00 0.00 C ATOM 389 CD LYS A 21 -10.742 -10.354 10.740 1.00 0.00 C ATOM 390 CE LYS A 21 -11.390 -11.721 10.893 1.00 0.00 C ATOM 391 NZ LYS A 21 -12.856 -11.616 11.136 1.00 0.00 N ATOM 0 H LYS A 21 -9.003 -7.519 7.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.905 -7.925 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.563 -8.249 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.094 -7.684 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.223 -9.708 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.731 -10.264 8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.658 -10.457 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.035 -9.716 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.212 -12.310 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.922 -12.254 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.225 -12.541 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.035 -10.914 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.333 -11.319 10.261 1.00 0.00 H new ATOM 405 N GLY A 22 -12.012 -5.439 7.592 1.00 0.00 N ATOM 406 CA GLY A 22 -12.180 -4.003 7.713 1.00 0.00 C ATOM 407 C GLY A 22 -10.971 -3.234 7.220 1.00 0.00 C ATOM 408 O GLY A 22 -10.832 -2.985 6.022 1.00 0.00 O ATOM 0 H GLY A 22 -12.701 -5.902 6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.059 -3.694 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.368 -3.749 8.756 1.00 0.00 H new ATOM 412 N ARG A 23 -10.095 -2.854 8.144 1.00 0.00 N ATOM 413 CA ARG A 23 -8.894 -2.105 7.796 1.00 0.00 C ATOM 414 C ARG A 23 -7.641 -2.838 8.267 1.00 0.00 C ATOM 415 O ARG A 23 -6.581 -2.234 8.437 1.00 0.00 O ATOM 416 CB ARG A 23 -8.941 -0.706 8.413 1.00 0.00 C ATOM 417 CG ARG A 23 -10.104 0.139 7.917 1.00 0.00 C ATOM 418 CD ARG A 23 -9.766 1.621 7.943 1.00 0.00 C ATOM 419 NE ARG A 23 -10.953 2.450 8.137 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.638 2.499 9.274 1.00 0.00 C ATOM 421 NH1 ARG A 23 -11.255 1.771 10.314 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.708 3.278 9.372 1.00 0.00 N ATOM 0 H ARG A 23 -10.195 -3.053 9.140 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.856 -2.014 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.006 -0.798 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.007 -0.189 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.364 -0.158 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.981 -0.046 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.053 1.816 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.279 1.898 7.008 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.274 3.023 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.433 1.172 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.783 1.810 11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.005 3.840 8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.234 3.315 10.245 1.00 0.00 H new ATOM 436 N THR A 24 -7.770 -4.144 8.479 1.00 0.00 N ATOM 437 CA THR A 24 -6.650 -4.959 8.932 1.00 0.00 C ATOM 438 C THR A 24 -6.288 -6.020 7.898 1.00 0.00 C ATOM 439 O THR A 24 -7.150 -6.761 7.428 1.00 0.00 O ATOM 440 CB THR A 24 -6.964 -5.650 10.273 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.328 -4.674 11.254 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.767 -6.449 10.763 1.00 0.00 C ATOM 0 H THR A 24 -8.639 -4.660 8.344 1.00 0.00 H new ATOM 0 HA THR A 24 -5.804 -4.286 9.068 1.00 0.00 H new ATOM 0 HB THR A 24 -7.798 -6.335 10.117 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.527 -5.122 12.103 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.012 -6.928 11.711 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.512 -7.211 10.027 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.917 -5.782 10.903 1.00 0.00 H new ATOM 450 N VAL A 25 -5.007 -6.087 7.550 1.00 0.00 N ATOM 451 CA VAL A 25 -4.531 -7.059 6.574 1.00 0.00 C ATOM 452 C VAL A 25 -3.785 -8.201 7.254 1.00 0.00 C ATOM 453 O VAL A 25 -2.736 -7.994 7.865 1.00 0.00 O ATOM 454 CB VAL A 25 -3.603 -6.402 5.534 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.051 -7.445 4.575 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.341 -5.308 4.778 1.00 0.00 C ATOM 0 H VAL A 25 -4.281 -5.480 7.930 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.411 -7.455 6.067 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.763 -5.947 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.398 -6.962 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.484 -8.189 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.875 -7.933 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.671 -4.855 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.201 -5.738 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.681 -4.547 5.480 1.00 0.00 H new ATOM 466 N ILE A 26 -4.332 -9.407 7.143 1.00 0.00 N ATOM 467 CA ILE A 26 -3.718 -10.583 7.746 1.00 0.00 C ATOM 468 C ILE A 26 -3.131 -11.504 6.682 1.00 0.00 C ATOM 469 O ILE A 26 -3.807 -11.865 5.718 1.00 0.00 O ATOM 470 CB ILE A 26 -4.731 -11.375 8.594 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.283 -10.499 9.720 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.082 -12.629 9.160 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.593 -10.999 10.289 1.00 0.00 C ATOM 0 H ILE A 26 -5.200 -9.595 6.641 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.918 -10.224 8.393 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.561 -11.676 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.546 -10.444 10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.423 -9.485 9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.810 -13.178 9.757 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.734 -13.260 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.236 -12.349 9.787 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.924 -10.329 11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.345 -11.027 9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.455 -12.001 10.695 1.00 0.00 H new ATOM 485 N VAL A 27 -1.871 -11.882 6.864 1.00 0.00 N ATOM 486 CA VAL A 27 -1.193 -12.764 5.920 1.00 0.00 C ATOM 487 C VAL A 27 -0.729 -14.046 6.603 1.00 0.00 C ATOM 488 O VAL A 27 -0.118 -14.009 7.671 1.00 0.00 O ATOM 489 CB VAL A 27 0.021 -12.070 5.275 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.729 -13.015 4.316 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.410 -10.798 4.562 1.00 0.00 C ATOM 0 H VAL A 27 -1.298 -11.592 7.656 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.916 -13.011 5.142 1.00 0.00 H new ATOM 0 HB VAL A 27 0.723 -11.797 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.584 -12.507 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.073 -13.895 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.038 -13.321 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.460 -10.320 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.132 -11.044 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.868 -10.116 5.279 1.00 0.00 H new ATOM 501 N LYS A 28 -1.023 -15.182 5.979 1.00 0.00 N ATOM 502 CA LYS A 28 -0.635 -16.477 6.524 1.00 0.00 C ATOM 503 C LYS A 28 0.193 -17.266 5.515 1.00 0.00 C ATOM 504 O LYS A 28 -0.242 -17.501 4.389 1.00 0.00 O ATOM 505 CB LYS A 28 -1.877 -17.281 6.919 1.00 0.00 C ATOM 506 CG LYS A 28 -1.620 -18.294 8.021 1.00 0.00 C ATOM 507 CD LYS A 28 -2.906 -18.973 8.465 1.00 0.00 C ATOM 508 CE LYS A 28 -2.655 -19.955 9.598 1.00 0.00 C ATOM 509 NZ LYS A 28 -3.926 -20.477 10.170 1.00 0.00 N ATOM 0 H LYS A 28 -1.529 -15.232 5.095 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.026 -16.302 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.657 -16.593 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.257 -17.801 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.914 -19.045 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.157 -17.796 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.624 -18.219 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.352 -19.497 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.053 -20.787 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.078 -19.465 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.713 -21.143 10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.489 -19.686 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.465 -20.967 9.428 1.00 0.00 H new ATOM 523 N GLY A 29 1.390 -17.673 5.928 1.00 0.00 N ATOM 524 CA GLY A 29 2.259 -18.432 5.048 1.00 0.00 C ATOM 525 C GLY A 29 2.763 -19.709 5.691 1.00 0.00 C ATOM 526 O GLY A 29 2.695 -19.885 6.908 1.00 0.00 O ATOM 0 H GLY A 29 1.773 -17.491 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.720 -18.678 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.109 -17.814 4.760 1.00 0.00 H new ATOM 530 N PRO A 30 3.283 -20.628 4.863 1.00 0.00 N ATOM 531 CA PRO A 30 3.811 -21.911 5.337 1.00 0.00 C ATOM 532 C PRO A 30 5.103 -21.751 6.128 1.00 0.00 C ATOM 533 O PRO A 30 5.704 -22.734 6.562 1.00 0.00 O ATOM 534 CB PRO A 30 4.069 -22.687 4.042 1.00 0.00 C ATOM 535 CG PRO A 30 4.277 -21.637 3.007 1.00 0.00 C ATOM 536 CD PRO A 30 3.397 -20.484 3.402 1.00 0.00 C ATOM 0 HA PRO A 30 3.122 -22.408 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.944 -23.331 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.225 -23.329 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.323 -21.333 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.013 -22.008 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.840 -19.527 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.423 -20.537 2.916 1.00 0.00 H new ATOM 544 N ARG A 31 5.526 -20.504 6.315 1.00 0.00 N ATOM 545 CA ARG A 31 6.750 -20.215 7.055 1.00 0.00 C ATOM 546 C ARG A 31 6.459 -19.322 8.257 1.00 0.00 C ATOM 547 O ARG A 31 7.342 -19.050 9.069 1.00 0.00 O ATOM 548 CB ARG A 31 7.776 -19.543 6.141 1.00 0.00 C ATOM 549 CG ARG A 31 8.057 -20.319 4.865 1.00 0.00 C ATOM 550 CD ARG A 31 9.148 -21.357 5.073 1.00 0.00 C ATOM 551 NE ARG A 31 9.486 -22.053 3.834 1.00 0.00 N ATOM 552 CZ ARG A 31 8.675 -22.917 3.232 1.00 0.00 C ATOM 553 NH1 ARG A 31 7.486 -23.187 3.753 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.052 -23.509 2.107 1.00 0.00 N ATOM 0 H ARG A 31 5.040 -19.679 5.965 1.00 0.00 H new ATOM 0 HA ARG A 31 7.159 -21.158 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.419 -18.547 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.709 -19.413 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.144 -20.811 4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.356 -19.629 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.039 -20.871 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.821 -22.082 5.818 1.00 0.00 H new ATOM 0 HE ARG A 31 10.394 -21.866 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.192 -22.731 4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.865 -23.850 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.965 -23.302 1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.429 -24.172 1.646 1.00 0.00 H new ATOM 568 N GLY A 32 5.215 -18.866 8.363 1.00 0.00 N ATOM 569 CA GLY A 32 4.830 -18.008 9.468 1.00 0.00 C ATOM 570 C GLY A 32 3.593 -17.188 9.162 1.00 0.00 C ATOM 571 O GLY A 32 3.070 -17.230 8.048 1.00 0.00 O ATOM 0 H GLY A 32 4.466 -19.076 7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.647 -18.619 10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.656 -17.338 9.709 1.00 0.00 H new ATOM 575 N THR A 33 3.120 -16.440 10.155 1.00 0.00 N ATOM 576 CA THR A 33 1.934 -15.610 9.987 1.00 0.00 C ATOM 577 C THR A 33 2.218 -14.162 10.371 1.00 0.00 C ATOM 578 O THR A 33 2.715 -13.885 11.463 1.00 0.00 O ATOM 579 CB THR A 33 0.757 -16.133 10.834 1.00 0.00 C ATOM 580 OG1 THR A 33 0.528 -17.517 10.550 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.507 -15.335 10.554 1.00 0.00 C ATOM 0 H THR A 33 3.540 -16.392 11.083 1.00 0.00 H new ATOM 0 HA THR A 33 1.662 -15.657 8.933 1.00 0.00 H new ATOM 0 HB THR A 33 1.014 -16.017 11.887 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.220 -17.843 11.093 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.324 -15.722 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.337 -14.287 10.799 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.767 -15.424 9.499 1.00 0.00 H new ATOM 589 N LEU A 34 1.898 -13.242 9.469 1.00 0.00 N ATOM 590 CA LEU A 34 2.119 -11.821 9.713 1.00 0.00 C ATOM 591 C LEU A 34 0.877 -11.009 9.360 1.00 0.00 C ATOM 592 O LEU A 34 0.253 -11.230 8.322 1.00 0.00 O ATOM 593 CB LEU A 34 3.317 -11.323 8.903 1.00 0.00 C ATOM 594 CG LEU A 34 4.572 -12.195 8.954 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.561 -11.770 7.880 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.213 -12.124 10.332 1.00 0.00 C ATOM 0 H LEU A 34 1.484 -13.454 8.561 1.00 0.00 H new ATOM 0 HA LEU A 34 2.328 -11.688 10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.010 -11.224 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.578 -10.325 9.255 1.00 0.00 H new ATOM 0 HG LEU A 34 4.283 -13.228 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.448 -12.402 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.099 -11.873 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.846 -10.730 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.105 -12.750 10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.489 -11.093 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.505 -12.478 11.081 1.00 0.00 H new ATOM 608 N ARG A 35 0.526 -10.066 10.228 1.00 0.00 N ATOM 609 CA ARG A 35 -0.639 -9.219 10.007 1.00 0.00 C ATOM 610 C ARG A 35 -0.378 -7.796 10.493 1.00 0.00 C ATOM 611 O ARG A 35 0.403 -7.579 11.419 1.00 0.00 O ATOM 612 CB ARG A 35 -1.860 -9.799 10.724 1.00 0.00 C ATOM 613 CG ARG A 35 -1.856 -9.559 12.225 1.00 0.00 C ATOM 614 CD ARG A 35 -2.803 -10.507 12.944 1.00 0.00 C ATOM 615 NE ARG A 35 -2.197 -11.817 13.172 1.00 0.00 N ATOM 616 CZ ARG A 35 -2.824 -12.822 13.771 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.070 -12.669 14.199 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.206 -13.983 13.942 1.00 0.00 N ATOM 0 H ARG A 35 1.032 -9.869 11.091 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.836 -9.187 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.763 -9.362 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.905 -10.872 10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.846 -9.689 12.613 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.146 -8.529 12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.096 -10.072 13.899 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.713 -10.626 12.356 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.240 -11.967 12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.548 -11.778 14.068 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.550 -13.443 14.659 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.248 -14.104 13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.689 -14.755 14.402 1.00 0.00 H new ATOM 632 N ARG A 36 -1.038 -6.830 9.861 1.00 0.00 N ATOM 633 CA ARG A 36 -0.876 -5.428 10.227 1.00 0.00 C ATOM 634 C ARG A 36 -2.205 -4.684 10.130 1.00 0.00 C ATOM 635 O ARG A 36 -2.977 -4.893 9.195 1.00 0.00 O ATOM 636 CB ARG A 36 0.163 -4.760 9.324 1.00 0.00 C ATOM 637 CG ARG A 36 0.921 -3.630 10.001 1.00 0.00 C ATOM 638 CD ARG A 36 0.059 -2.385 10.138 1.00 0.00 C ATOM 639 NE ARG A 36 0.864 -1.176 10.285 1.00 0.00 N ATOM 640 CZ ARG A 36 1.545 -0.874 11.385 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.517 -1.691 12.430 1.00 0.00 N ATOM 642 NH2 ARG A 36 2.255 0.245 11.443 1.00 0.00 N ATOM 0 H ARG A 36 -1.690 -6.993 9.093 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.530 -5.385 11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.875 -5.512 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.336 -4.371 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.254 -3.953 10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.815 -3.393 9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.582 -2.289 9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.597 -2.491 11.002 1.00 0.00 H new ATOM 0 HE ARG A 36 0.906 -0.527 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.972 -2.552 12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.040 -1.458 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.279 0.876 10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.777 0.475 12.289 1.00 0.00 H new ATOM 656 N ASP A 37 -2.463 -3.817 11.102 1.00 0.00 N ATOM 657 CA ASP A 37 -3.697 -3.041 11.126 1.00 0.00 C ATOM 658 C ASP A 37 -3.440 -1.597 10.705 1.00 0.00 C ATOM 659 O ASP A 37 -2.588 -0.916 11.275 1.00 0.00 O ATOM 660 CB ASP A 37 -4.318 -3.074 12.524 1.00 0.00 C ATOM 661 CG ASP A 37 -5.664 -2.380 12.575 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.922 -1.520 11.709 1.00 0.00 O ATOM 663 OD2 ASP A 37 -6.461 -2.697 13.485 1.00 0.00 O ATOM 0 H ASP A 37 -1.834 -3.634 11.884 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.392 -3.489 10.416 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.434 -4.110 12.843 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.639 -2.597 13.231 1.00 0.00 H new ATOM 668 N PHE A 38 -4.182 -1.138 9.703 1.00 0.00 N ATOM 669 CA PHE A 38 -4.033 0.224 9.203 1.00 0.00 C ATOM 670 C PHE A 38 -5.222 1.087 9.615 1.00 0.00 C ATOM 671 O PHE A 38 -5.668 1.949 8.859 1.00 0.00 O ATOM 672 CB PHE A 38 -3.895 0.219 7.679 1.00 0.00 C ATOM 673 CG PHE A 38 -2.731 -0.590 7.185 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.456 -0.369 7.684 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.908 -1.571 6.224 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.382 -1.112 7.230 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.839 -2.316 5.766 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.573 -2.087 6.271 1.00 0.00 C ATOM 0 H PHE A 38 -4.892 -1.689 9.221 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.129 0.648 9.641 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.812 -0.174 7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.788 1.246 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.300 0.391 8.435 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.895 -1.756 5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.606 -0.930 7.625 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.992 -3.076 5.014 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.265 -2.669 5.916 1.00 0.00 H new ATOM 688 N ASN A 39 -5.730 0.849 10.820 1.00 0.00 N ATOM 689 CA ASN A 39 -6.867 1.603 11.333 1.00 0.00 C ATOM 690 C ASN A 39 -6.471 3.043 11.643 1.00 0.00 C ATOM 691 O ASN A 39 -7.107 3.988 11.175 1.00 0.00 O ATOM 692 CB ASN A 39 -7.424 0.934 12.592 1.00 0.00 C ATOM 693 CG ASN A 39 -6.352 0.681 13.634 1.00 0.00 C ATOM 694 OD1 ASN A 39 -5.214 0.348 13.302 1.00 0.00 O ATOM 695 ND2 ASN A 39 -6.712 0.840 14.903 1.00 0.00 N ATOM 0 H ASN A 39 -5.372 0.140 11.459 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.639 1.615 10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.203 1.565 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.893 -0.012 12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.034 0.685 15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.667 1.117 15.131 1.00 0.00 H new ATOM 702 N HIS A 40 -5.414 3.204 12.433 1.00 0.00 N ATOM 703 CA HIS A 40 -4.931 4.528 12.804 1.00 0.00 C ATOM 704 C HIS A 40 -4.930 5.463 11.598 1.00 0.00 C ATOM 705 O HIS A 40 -4.977 6.685 11.748 1.00 0.00 O ATOM 706 CB HIS A 40 -3.522 4.435 13.392 1.00 0.00 C ATOM 707 CG HIS A 40 -2.500 3.932 12.420 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.719 2.856 11.587 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.246 4.365 12.151 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.644 2.648 10.848 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.735 3.551 11.170 1.00 0.00 N ATOM 0 H HIS A 40 -4.876 2.433 12.828 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.605 4.935 13.558 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.220 5.420 13.747 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.542 3.775 14.260 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.741 5.196 12.621 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.528 1.871 10.106 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.194 3.631 10.757 1.00 0.00 H new ATOM 719 N ILE A 41 -4.876 4.882 10.405 1.00 0.00 N ATOM 720 CA ILE A 41 -4.869 5.664 9.174 1.00 0.00 C ATOM 721 C ILE A 41 -6.146 5.438 8.373 1.00 0.00 C ATOM 722 O ILE A 41 -6.559 4.300 8.151 1.00 0.00 O ATOM 723 CB ILE A 41 -3.654 5.317 8.293 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.402 5.148 9.157 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.438 6.394 7.241 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.295 4.379 8.471 1.00 0.00 C ATOM 0 H ILE A 41 -4.836 3.873 10.264 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.807 6.712 9.466 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.850 4.374 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.029 6.133 9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.673 4.634 10.079 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.576 6.135 6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.324 6.469 6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.259 7.351 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.439 4.298 9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.651 3.381 8.213 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.996 4.903 7.563 1.00 0.00 H new ATOM 738 N ASN A 42 -6.767 6.530 7.939 1.00 0.00 N ATOM 739 CA ASN A 42 -7.998 6.452 7.160 1.00 0.00 C ATOM 740 C ASN A 42 -7.693 6.379 5.668 1.00 0.00 C ATOM 741 O ASN A 42 -7.319 7.376 5.050 1.00 0.00 O ATOM 742 CB ASN A 42 -8.889 7.660 7.451 1.00 0.00 C ATOM 743 CG ASN A 42 -10.162 7.652 6.627 1.00 0.00 C ATOM 744 OD1 ASN A 42 -11.078 6.752 6.963 1.00 0.00 O flip ATOM 745 ND2 ASN A 42 -10.319 8.446 5.700 1.00 0.00 N flip ATOM 0 H ASN A 42 -6.438 7.480 8.113 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.525 5.543 7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.145 7.672 8.510 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.333 8.575 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.587 9.121 5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.181 8.429 5.154 1.00 0.00 H new ATOM 752 N VAL A 43 -7.855 5.191 5.093 1.00 0.00 N ATOM 753 CA VAL A 43 -7.599 4.988 3.672 1.00 0.00 C ATOM 754 C VAL A 43 -8.708 4.168 3.025 1.00 0.00 C ATOM 755 O VAL A 43 -9.702 3.835 3.669 1.00 0.00 O ATOM 756 CB VAL A 43 -6.251 4.280 3.440 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.097 5.171 3.876 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.215 2.949 4.175 1.00 0.00 C ATOM 0 H VAL A 43 -8.162 4.355 5.590 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.566 5.976 3.213 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.143 4.083 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.153 4.654 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.114 6.096 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.196 5.402 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.255 2.463 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.346 3.120 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.018 2.309 3.809 1.00 0.00 H new ATOM 768 N GLU A 44 -8.531 3.846 1.747 1.00 0.00 N ATOM 769 CA GLU A 44 -9.520 3.064 1.012 1.00 0.00 C ATOM 770 C GLU A 44 -8.932 1.730 0.562 1.00 0.00 C ATOM 771 O GLU A 44 -7.834 1.678 0.006 1.00 0.00 O ATOM 772 CB GLU A 44 -10.023 3.848 -0.201 1.00 0.00 C ATOM 773 CG GLU A 44 -11.024 4.935 0.149 1.00 0.00 C ATOM 774 CD GLU A 44 -12.351 4.375 0.626 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.836 3.399 0.016 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.903 4.913 1.608 1.00 0.00 O ATOM 0 H GLU A 44 -7.713 4.114 1.199 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.358 2.865 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.171 4.300 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.483 3.155 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.604 5.574 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.192 5.564 -0.725 1.00 0.00 H new ATOM 783 N LEU A 45 -9.671 0.653 0.805 1.00 0.00 N ATOM 784 CA LEU A 45 -9.223 -0.683 0.426 1.00 0.00 C ATOM 785 C LEU A 45 -10.389 -1.521 -0.092 1.00 0.00 C ATOM 786 O LEU A 45 -11.532 -1.336 0.326 1.00 0.00 O ATOM 787 CB LEU A 45 -8.569 -1.382 1.619 1.00 0.00 C ATOM 788 CG LEU A 45 -7.523 -0.568 2.383 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.276 -1.172 3.755 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.227 -0.488 1.590 1.00 0.00 C ATOM 0 H LEU A 45 -10.582 0.678 1.262 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.489 -0.580 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.353 -1.675 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.099 -2.299 1.264 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.905 0.444 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.529 -0.580 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.206 -1.176 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.915 -2.195 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.494 0.095 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.840 -1.493 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.417 -0.008 0.630 1.00 0.00 H new ATOM 802 N SER A 46 -10.090 -2.442 -1.001 1.00 0.00 N ATOM 803 CA SER A 46 -11.113 -3.307 -1.577 1.00 0.00 C ATOM 804 C SER A 46 -10.558 -4.704 -1.843 1.00 0.00 C ATOM 805 O SER A 46 -9.350 -4.885 -1.996 1.00 0.00 O ATOM 806 CB SER A 46 -11.649 -2.705 -2.877 1.00 0.00 C ATOM 807 OG SER A 46 -11.954 -1.329 -2.714 1.00 0.00 O ATOM 0 H SER A 46 -9.148 -2.609 -1.355 1.00 0.00 H new ATOM 0 HA SER A 46 -11.929 -3.389 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.910 -2.826 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.543 -3.244 -3.190 1.00 0.00 H new ATOM 0 HG SER A 46 -12.688 -1.083 -3.315 1.00 0.00 H new ATOM 813 N LEU A 47 -11.449 -5.687 -1.895 1.00 0.00 N ATOM 814 CA LEU A 47 -11.049 -7.068 -2.142 1.00 0.00 C ATOM 815 C LEU A 47 -11.337 -7.470 -3.585 1.00 0.00 C ATOM 816 O LEU A 47 -12.447 -7.276 -4.085 1.00 0.00 O ATOM 817 CB LEU A 47 -11.780 -8.010 -1.184 1.00 0.00 C ATOM 818 CG LEU A 47 -11.212 -9.426 -1.069 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.634 -10.066 0.243 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.662 -10.277 -2.248 1.00 0.00 C ATOM 0 H LEU A 47 -12.453 -5.554 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.975 -7.145 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.780 -7.559 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.820 -8.082 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.124 -9.363 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.220 -11.073 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.263 -9.468 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.722 -10.117 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.249 -11.281 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.751 -10.332 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.309 -9.828 -3.176 1.00 0.00 H new ATOM 832 N LEU A 48 -10.332 -8.030 -4.250 1.00 0.00 N ATOM 833 CA LEU A 48 -10.478 -8.460 -5.636 1.00 0.00 C ATOM 834 C LEU A 48 -9.992 -9.894 -5.814 1.00 0.00 C ATOM 835 O LEU A 48 -8.848 -10.218 -5.496 1.00 0.00 O ATOM 836 CB LEU A 48 -9.699 -7.526 -6.565 1.00 0.00 C ATOM 837 CG LEU A 48 -9.885 -6.029 -6.320 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.985 -5.221 -7.244 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.341 -5.633 -6.511 1.00 0.00 C ATOM 0 H LEU A 48 -9.408 -8.197 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.536 -8.420 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.638 -7.759 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.988 -7.744 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.603 -5.812 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.131 -4.157 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.943 -5.483 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.235 -5.443 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.454 -4.564 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.651 -5.865 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.964 -6.186 -5.808 1.00 0.00 H new ATOM 851 N GLY A 49 -10.869 -10.752 -6.327 1.00 0.00 N ATOM 852 CA GLY A 49 -10.510 -12.142 -6.542 1.00 0.00 C ATOM 853 C GLY A 49 -11.191 -12.735 -7.759 1.00 0.00 C ATOM 854 O GLY A 49 -11.423 -13.943 -7.823 1.00 0.00 O ATOM 0 H GLY A 49 -11.822 -10.509 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.429 -12.221 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.778 -12.724 -5.660 1.00 0.00 H new ATOM 858 N LYS A 50 -11.514 -11.886 -8.728 1.00 0.00 N ATOM 859 CA LYS A 50 -12.172 -12.331 -9.950 1.00 0.00 C ATOM 860 C LYS A 50 -11.599 -13.663 -10.422 1.00 0.00 C ATOM 861 O LYS A 50 -12.340 -14.576 -10.790 1.00 0.00 O ATOM 862 CB LYS A 50 -12.019 -11.279 -11.050 1.00 0.00 C ATOM 863 CG LYS A 50 -12.896 -10.055 -10.847 1.00 0.00 C ATOM 864 CD LYS A 50 -12.881 -9.149 -12.068 1.00 0.00 C ATOM 865 CE LYS A 50 -11.670 -8.230 -12.064 1.00 0.00 C ATOM 866 NZ LYS A 50 -11.846 -7.085 -11.128 1.00 0.00 N ATOM 0 H LYS A 50 -11.330 -10.883 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.231 -12.468 -9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.976 -10.965 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.260 -11.733 -12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.919 -10.370 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.550 -9.499 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.875 -9.756 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.792 -8.552 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.784 -8.798 -11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.497 -7.852 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.021 -6.455 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.705 -6.558 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.934 -7.442 -10.155 1.00 0.00 H new ATOM 880 N LYS A 51 -10.274 -13.769 -10.410 1.00 0.00 N ATOM 881 CA LYS A 51 -9.600 -14.990 -10.834 1.00 0.00 C ATOM 882 C LYS A 51 -8.680 -15.514 -9.736 1.00 0.00 C ATOM 883 O LYS A 51 -8.778 -16.671 -9.327 1.00 0.00 O ATOM 884 CB LYS A 51 -8.795 -14.736 -12.109 1.00 0.00 C ATOM 885 CG LYS A 51 -8.673 -15.956 -13.005 1.00 0.00 C ATOM 886 CD LYS A 51 -7.513 -16.843 -12.584 1.00 0.00 C ATOM 887 CE LYS A 51 -7.003 -17.683 -13.745 1.00 0.00 C ATOM 888 NZ LYS A 51 -7.936 -18.795 -14.078 1.00 0.00 N ATOM 0 H LYS A 51 -9.646 -13.023 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.361 -15.743 -11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.265 -13.929 -12.671 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.796 -14.395 -11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.600 -16.528 -12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.533 -15.637 -14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.703 -16.225 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.830 -17.497 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.868 -17.048 -14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.025 -18.093 -13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.552 -19.343 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.046 -19.416 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.863 -18.403 -14.342 1.00 0.00 H new ATOM 902 N LYS A 52 -7.785 -14.654 -9.259 1.00 0.00 N ATOM 903 CA LYS A 52 -6.849 -15.027 -8.206 1.00 0.00 C ATOM 904 C LYS A 52 -6.909 -14.036 -7.048 1.00 0.00 C ATOM 905 O LYS A 52 -7.269 -12.872 -7.230 1.00 0.00 O ATOM 906 CB LYS A 52 -5.425 -15.093 -8.762 1.00 0.00 C ATOM 907 CG LYS A 52 -4.539 -16.098 -8.047 1.00 0.00 C ATOM 908 CD LYS A 52 -3.124 -16.089 -8.602 1.00 0.00 C ATOM 909 CE LYS A 52 -2.468 -17.457 -8.479 1.00 0.00 C ATOM 910 NZ LYS A 52 -2.956 -18.401 -9.523 1.00 0.00 N ATOM 0 H LYS A 52 -7.689 -13.693 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.133 -16.011 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.469 -15.348 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.970 -14.105 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.514 -15.869 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.964 -17.096 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.145 -15.787 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.527 -15.349 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.386 -17.350 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.672 -17.870 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.845 -19.379 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.960 -18.214 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.404 -18.270 -10.395 1.00 0.00 H new ATOM 924 N LYS A 53 -6.552 -14.503 -5.856 1.00 0.00 N ATOM 925 CA LYS A 53 -6.562 -13.658 -4.668 1.00 0.00 C ATOM 926 C LYS A 53 -5.788 -12.366 -4.913 1.00 0.00 C ATOM 927 O LYS A 53 -4.561 -12.377 -5.015 1.00 0.00 O ATOM 928 CB LYS A 53 -5.960 -14.408 -3.479 1.00 0.00 C ATOM 929 CG LYS A 53 -6.008 -13.624 -2.178 1.00 0.00 C ATOM 930 CD LYS A 53 -7.300 -13.884 -1.419 1.00 0.00 C ATOM 931 CE LYS A 53 -7.706 -12.680 -0.584 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.191 -11.555 -1.431 1.00 0.00 N ATOM 0 H LYS A 53 -6.252 -15.463 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.597 -13.403 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.493 -15.349 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.923 -14.658 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.157 -13.899 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.917 -12.559 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.096 -14.124 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.175 -14.752 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.489 -12.971 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.855 -12.347 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.766 -10.665 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.919 -11.723 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.227 -11.491 -1.363 1.00 0.00 H new ATOM 946 N ARG A 54 -6.513 -11.256 -5.005 1.00 0.00 N ATOM 947 CA ARG A 54 -5.893 -9.957 -5.237 1.00 0.00 C ATOM 948 C ARG A 54 -6.396 -8.926 -4.230 1.00 0.00 C ATOM 949 O ARG A 54 -7.529 -9.010 -3.753 1.00 0.00 O ATOM 950 CB ARG A 54 -6.183 -9.477 -6.661 1.00 0.00 C ATOM 951 CG ARG A 54 -5.325 -10.152 -7.718 1.00 0.00 C ATOM 952 CD ARG A 54 -5.703 -9.695 -9.118 1.00 0.00 C ATOM 953 NE ARG A 54 -6.934 -10.326 -9.587 1.00 0.00 N ATOM 954 CZ ARG A 54 -7.292 -10.376 -10.865 1.00 0.00 C ATOM 955 NH1 ARG A 54 -6.518 -9.837 -11.796 1.00 0.00 N ATOM 956 NH2 ARG A 54 -8.428 -10.968 -11.213 1.00 0.00 N ATOM 0 H ARG A 54 -7.529 -11.230 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.816 -10.069 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.234 -9.657 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.026 -8.400 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.274 -9.928 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.439 -11.234 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.826 -8.612 -9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.891 -9.928 -9.807 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.552 -10.751 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.644 -9.382 -11.532 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.796 -9.877 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.026 -11.384 -10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.703 -11.007 -12.194 1.00 0.00 H new ATOM 970 N LEU A 55 -5.547 -7.957 -3.909 1.00 0.00 N ATOM 971 CA LEU A 55 -5.904 -6.910 -2.959 1.00 0.00 C ATOM 972 C LEU A 55 -5.827 -5.533 -3.609 1.00 0.00 C ATOM 973 O LEU A 55 -4.842 -5.201 -4.270 1.00 0.00 O ATOM 974 CB LEU A 55 -4.980 -6.964 -1.740 1.00 0.00 C ATOM 975 CG LEU A 55 -4.915 -5.694 -0.891 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.223 -5.485 -0.142 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.747 -5.762 0.082 1.00 0.00 C ATOM 0 H LEU A 55 -4.606 -7.874 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.931 -7.081 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.301 -7.788 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.973 -7.200 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.760 -4.844 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.158 -4.577 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.041 -5.391 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.408 -6.338 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.716 -4.850 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.872 -6.622 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.815 -5.863 -0.475 1.00 0.00 H new ATOM 989 N ARG A 56 -6.872 -4.733 -3.417 1.00 0.00 N ATOM 990 CA ARG A 56 -6.921 -3.391 -3.984 1.00 0.00 C ATOM 991 C ARG A 56 -6.496 -2.349 -2.954 1.00 0.00 C ATOM 992 O ARG A 56 -7.043 -2.291 -1.852 1.00 0.00 O ATOM 993 CB ARG A 56 -8.331 -3.081 -4.488 1.00 0.00 C ATOM 994 CG ARG A 56 -8.360 -2.110 -5.657 1.00 0.00 C ATOM 995 CD ARG A 56 -9.783 -1.717 -6.022 1.00 0.00 C ATOM 996 NE ARG A 56 -10.304 -0.672 -5.146 1.00 0.00 N ATOM 997 CZ ARG A 56 -11.375 0.060 -5.431 1.00 0.00 C ATOM 998 NH1 ARG A 56 -12.035 -0.137 -6.564 1.00 0.00 N ATOM 999 NH2 ARG A 56 -11.789 0.993 -4.583 1.00 0.00 N ATOM 0 H ARG A 56 -7.695 -4.992 -2.873 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.225 -3.351 -4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.813 -4.011 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.918 -2.667 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.789 -1.217 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.874 -2.564 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.810 -1.371 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.428 -2.594 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.819 -0.494 -4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.721 -0.852 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.857 0.427 -6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.284 1.149 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.612 1.554 -4.804 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.517 -1.528 -3.320 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.018 -0.488 -2.428 1.00 0.00 C ATOM 1015 C VAL A 57 -5.430 0.897 -2.916 1.00 0.00 C ATOM 1016 O VAL A 57 -5.110 1.292 -4.036 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.484 -0.542 -2.305 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.987 0.535 -1.352 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.035 -1.921 -1.845 1.00 0.00 C ATOM 0 H VAL A 57 -5.054 -1.563 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.459 -0.672 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.051 -0.353 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.901 0.482 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.277 1.516 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.426 0.380 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.948 -1.941 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.476 -2.142 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.359 -2.669 -2.569 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.141 1.630 -2.066 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.595 2.972 -2.408 1.00 0.00 C ATOM 1031 C ASP A 58 -6.269 3.959 -1.292 1.00 0.00 C ATOM 1032 O ASP A 58 -6.671 3.769 -0.143 1.00 0.00 O ATOM 1033 CB ASP A 58 -8.101 2.970 -2.680 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.607 4.323 -3.142 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.958 5.341 -2.822 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.651 4.363 -3.825 1.00 0.00 O ATOM 0 H ASP A 58 -6.415 1.317 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.070 3.286 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.329 2.221 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.631 2.677 -1.774 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.535 5.012 -1.634 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.154 6.029 -0.663 1.00 0.00 C ATOM 1043 C LYS A 59 -5.905 7.333 -0.914 1.00 0.00 C ATOM 1044 O LYS A 59 -6.572 7.487 -1.938 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.645 6.278 -0.719 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.816 5.007 -0.651 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.622 4.545 0.784 1.00 0.00 C ATOM 1048 CE LYS A 59 -3.734 3.602 1.220 1.00 0.00 C ATOM 1049 NZ LYS A 59 -3.398 2.179 0.935 1.00 0.00 N ATOM 0 H LYS A 59 -5.192 5.183 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.420 5.664 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.407 6.808 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.362 6.931 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.306 4.220 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.844 5.180 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.659 4.043 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.597 5.411 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.917 3.725 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.658 3.867 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.168 1.743 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.516 2.134 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.275 1.665 1.831 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.791 8.266 0.022 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.459 9.557 -0.100 1.00 0.00 C ATOM 1065 C TRP A 60 -6.397 10.068 -1.536 1.00 0.00 C ATOM 1066 O TRP A 60 -5.418 9.837 -2.245 1.00 0.00 O ATOM 1067 CB TRP A 60 -5.820 10.577 0.844 1.00 0.00 C ATOM 1068 CG TRP A 60 -5.767 10.116 2.269 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -4.796 9.349 2.847 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -6.727 10.390 3.294 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -5.095 9.130 4.169 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -6.274 9.759 4.470 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -7.925 11.109 3.335 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -6.978 9.826 5.668 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -8.622 11.174 4.526 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -8.147 10.537 5.680 1.00 0.00 C ATOM 0 H TRP A 60 -5.242 8.154 0.875 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.505 9.424 0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.808 10.794 0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.381 11.510 0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -3.921 8.970 2.339 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.530 8.587 4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.299 11.605 2.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.614 9.334 6.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -9.550 11.726 4.568 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.714 10.609 6.596 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.449 10.761 -1.958 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.513 11.303 -3.311 1.00 0.00 C ATOM 1089 C TRP A 61 -7.132 12.780 -3.323 1.00 0.00 C ATOM 1090 O TRP A 61 -7.959 13.647 -3.049 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.918 11.122 -3.888 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.500 9.767 -3.621 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.868 8.564 -3.751 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.831 9.478 -3.182 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.726 7.543 -3.418 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.936 8.078 -3.065 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.945 10.265 -2.873 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.110 7.450 -2.653 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.108 9.641 -2.465 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.184 8.246 -2.358 1.00 0.00 C ATOM 0 H TRP A 61 -8.268 10.961 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.800 10.757 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.577 11.882 -3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.885 11.290 -4.965 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.844 8.434 -4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.498 6.549 -3.432 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.897 11.341 -2.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.170 6.375 -2.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.974 10.239 -2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.108 7.790 -2.036 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.872 13.057 -3.645 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.403 14.430 -3.686 1.00 0.00 C ATOM 1113 C GLY A 62 -3.990 14.544 -4.223 1.00 0.00 C ATOM 1114 O GLY A 62 -3.726 14.200 -5.375 1.00 0.00 O ATOM 0 H GLY A 62 -5.168 12.356 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.074 15.021 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.443 14.854 -2.683 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.078 15.030 -3.388 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.685 15.191 -3.785 1.00 0.00 C ATOM 1120 C ASN A 63 -1.072 13.848 -4.175 1.00 0.00 C ATOM 1121 O ASN A 63 -1.761 12.829 -4.213 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.877 15.821 -2.649 1.00 0.00 C ATOM 1123 CG ASN A 63 0.324 16.596 -3.153 1.00 0.00 C ATOM 1124 OD1 ASN A 63 0.232 17.337 -4.132 1.00 0.00 O ATOM 1125 ND2 ASN A 63 1.460 16.426 -2.487 1.00 0.00 N ATOM 0 H ASN A 63 -3.279 15.319 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.655 15.851 -4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.521 16.487 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.541 15.038 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.303 16.920 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.490 15.802 -1.681 1.00 0.00 H new ATOM 1132 N ARG A 64 0.225 13.858 -4.464 1.00 0.00 N ATOM 1133 CA ARG A 64 0.931 12.643 -4.853 1.00 0.00 C ATOM 1134 C ARG A 64 1.367 11.852 -3.622 1.00 0.00 C ATOM 1135 O ARG A 64 2.292 11.042 -3.687 1.00 0.00 O ATOM 1136 CB ARG A 64 2.150 12.987 -5.709 1.00 0.00 C ATOM 1137 CG ARG A 64 1.796 13.628 -7.041 1.00 0.00 C ATOM 1138 CD ARG A 64 1.226 12.611 -8.016 1.00 0.00 C ATOM 1139 NE ARG A 64 2.265 11.759 -8.589 1.00 0.00 N ATOM 1140 CZ ARG A 64 2.062 10.938 -9.614 1.00 0.00 C ATOM 1141 NH1 ARG A 64 0.863 10.859 -10.176 1.00 0.00 N ATOM 1142 NH2 ARG A 64 3.058 10.196 -10.079 1.00 0.00 N ATOM 0 H ARG A 64 0.808 14.694 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 64 0.248 12.027 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.797 13.663 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.722 12.078 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.071 14.426 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.685 14.088 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.490 11.991 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.702 13.132 -8.817 1.00 0.00 H new ATOM 0 HE ARG A 64 3.198 11.796 -8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.095 11.429 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.709 10.228 -10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.981 10.255 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.901 9.566 -10.866 1.00 0.00 H new ATOM 1156 N LYS A 65 0.696 12.092 -2.502 1.00 0.00 N ATOM 1157 CA LYS A 65 1.012 11.403 -1.256 1.00 0.00 C ATOM 1158 C LYS A 65 0.664 9.920 -1.351 1.00 0.00 C ATOM 1159 O LYS A 65 1.317 9.081 -0.733 1.00 0.00 O ATOM 1160 CB LYS A 65 0.256 12.042 -0.089 1.00 0.00 C ATOM 1161 CG LYS A 65 0.521 11.371 1.247 1.00 0.00 C ATOM 1162 CD LYS A 65 1.754 11.947 1.924 1.00 0.00 C ATOM 1163 CE LYS A 65 1.452 13.276 2.598 1.00 0.00 C ATOM 1164 NZ LYS A 65 0.994 13.094 4.003 1.00 0.00 N ATOM 0 H LYS A 65 -0.072 12.760 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 65 2.084 11.496 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.534 13.094 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.813 12.008 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.345 11.497 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.654 10.300 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.128 11.239 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.545 12.084 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.345 13.901 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.685 13.804 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.798 14.023 4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.127 12.519 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.736 12.613 4.550 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.366 9.608 -2.130 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.800 8.226 -2.305 1.00 0.00 C ATOM 1180 C GLU A 66 0.344 7.360 -2.828 1.00 0.00 C ATOM 1181 O GLU A 66 0.408 6.163 -2.548 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.986 8.159 -3.269 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.684 8.721 -4.648 1.00 0.00 C ATOM 1184 CD GLU A 66 -0.928 7.741 -5.524 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -1.059 6.520 -5.299 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -0.206 8.197 -6.435 1.00 0.00 O ATOM 0 H GLU A 66 -0.916 10.292 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.109 7.843 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.302 7.121 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.824 8.707 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.619 8.994 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.100 9.635 -4.544 1.00 0.00 H new ATOM 1193 N LEU A 67 1.244 7.974 -3.587 1.00 0.00 N ATOM 1194 CA LEU A 67 2.385 7.261 -4.150 1.00 0.00 C ATOM 1195 C LEU A 67 3.315 6.767 -3.047 1.00 0.00 C ATOM 1196 O LEU A 67 3.694 5.597 -3.019 1.00 0.00 O ATOM 1197 CB LEU A 67 3.153 8.167 -5.113 1.00 0.00 C ATOM 1198 CG LEU A 67 4.552 7.693 -5.510 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.482 6.780 -6.724 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.460 8.882 -5.787 1.00 0.00 C ATOM 0 H LEU A 67 1.206 8.965 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 67 2.009 6.397 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.560 8.285 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.241 9.154 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 67 4.972 7.127 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.487 6.453 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.867 5.911 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.042 7.321 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.451 8.525 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.044 9.476 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.537 9.498 -4.891 1.00 0.00 H new ATOM 1212 N ALA A 68 3.679 7.667 -2.139 1.00 0.00 N ATOM 1213 CA ALA A 68 4.562 7.322 -1.032 1.00 0.00 C ATOM 1214 C ALA A 68 3.910 6.298 -0.109 1.00 0.00 C ATOM 1215 O ALA A 68 4.557 5.352 0.342 1.00 0.00 O ATOM 1216 CB ALA A 68 4.942 8.571 -0.251 1.00 0.00 C ATOM 0 H ALA A 68 3.376 8.641 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 68 5.466 6.876 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.602 8.298 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.455 9.271 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.042 9.040 0.145 1.00 0.00 H new ATOM 1222 N THR A 69 2.625 6.491 0.169 1.00 0.00 N ATOM 1223 CA THR A 69 1.886 5.585 1.039 1.00 0.00 C ATOM 1224 C THR A 69 1.738 4.208 0.401 1.00 0.00 C ATOM 1225 O THR A 69 1.864 3.186 1.072 1.00 0.00 O ATOM 1226 CB THR A 69 0.487 6.139 1.370 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.514 7.571 1.365 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.014 5.640 2.725 1.00 0.00 C ATOM 0 H THR A 69 2.074 7.268 -0.196 1.00 0.00 H new ATOM 0 HA THR A 69 2.460 5.495 1.961 1.00 0.00 H new ATOM 0 HB THR A 69 -0.209 5.786 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.379 7.916 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.976 6.045 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.033 4.551 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.712 5.966 3.497 1.00 0.00 H new ATOM 1236 N VAL A 70 1.468 4.191 -0.901 1.00 0.00 N ATOM 1237 CA VAL A 70 1.304 2.939 -1.631 1.00 0.00 C ATOM 1238 C VAL A 70 2.590 2.120 -1.613 1.00 0.00 C ATOM 1239 O VAL A 70 2.558 0.899 -1.468 1.00 0.00 O ATOM 1240 CB VAL A 70 0.888 3.193 -3.092 1.00 0.00 C ATOM 1241 CG1 VAL A 70 1.144 1.957 -3.941 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.572 3.609 -3.166 1.00 0.00 C ATOM 0 H VAL A 70 1.358 5.029 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 70 0.515 2.379 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 70 1.493 4.009 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.844 2.154 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.205 1.710 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.566 1.120 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.848 3.784 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.197 2.817 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.719 4.524 -2.592 1.00 0.00 H new ATOM 1252 N ARG A 71 3.721 2.803 -1.763 1.00 0.00 N ATOM 1253 CA ARG A 71 5.019 2.138 -1.765 1.00 0.00 C ATOM 1254 C ARG A 71 5.308 1.504 -0.407 1.00 0.00 C ATOM 1255 O ARG A 71 5.755 0.360 -0.326 1.00 0.00 O ATOM 1256 CB ARG A 71 6.124 3.134 -2.121 1.00 0.00 C ATOM 1257 CG ARG A 71 6.383 3.249 -3.614 1.00 0.00 C ATOM 1258 CD ARG A 71 7.721 3.914 -3.898 1.00 0.00 C ATOM 1259 NE ARG A 71 8.844 3.109 -3.426 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.232 1.977 -4.004 1.00 0.00 C ATOM 1261 NH1 ARG A 71 8.592 1.521 -5.072 1.00 0.00 N ATOM 1262 NH2 ARG A 71 10.264 1.300 -3.516 1.00 0.00 N ATOM 0 H ARG A 71 3.765 3.815 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 71 4.994 1.349 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.856 4.116 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.046 2.834 -1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.366 2.257 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.583 3.825 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.821 4.083 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.749 4.892 -3.417 1.00 0.00 H new ATOM 0 HE ARG A 71 9.359 3.433 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.800 2.039 -5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.892 0.652 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.761 1.648 -2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.560 0.431 -3.961 1.00 0.00 H new ATOM 1276 N THR A 72 5.050 2.257 0.659 1.00 0.00 N ATOM 1277 CA THR A 72 5.284 1.771 2.012 1.00 0.00 C ATOM 1278 C THR A 72 4.330 0.633 2.360 1.00 0.00 C ATOM 1279 O THR A 72 4.754 -0.423 2.831 1.00 0.00 O ATOM 1280 CB THR A 72 5.121 2.897 3.049 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.972 3.998 2.714 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.455 2.398 4.448 1.00 0.00 C ATOM 0 H THR A 72 4.679 3.206 0.610 1.00 0.00 H new ATOM 0 HA THR A 72 6.310 1.404 2.043 1.00 0.00 H new ATOM 0 HB THR A 72 4.082 3.225 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.590 4.488 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.333 3.211 5.163 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.786 1.579 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.486 2.046 4.472 1.00 0.00 H new ATOM 1290 N ILE A 73 3.042 0.854 2.123 1.00 0.00 N ATOM 1291 CA ILE A 73 2.028 -0.153 2.410 1.00 0.00 C ATOM 1292 C ILE A 73 2.222 -1.391 1.540 1.00 0.00 C ATOM 1293 O ILE A 73 2.189 -2.519 2.032 1.00 0.00 O ATOM 1294 CB ILE A 73 0.607 0.398 2.190 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.309 1.514 3.193 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.418 -0.719 2.312 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.125 1.994 3.153 1.00 0.00 C ATOM 0 H ILE A 73 2.675 1.722 1.733 1.00 0.00 H new ATOM 0 HA ILE A 73 2.143 -0.426 3.459 1.00 0.00 H new ATOM 0 HB ILE A 73 0.545 0.813 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.537 1.159 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.972 2.356 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.418 -0.314 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.214 -1.484 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.358 -1.161 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.265 2.785 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.352 2.380 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.793 1.164 3.381 1.00 0.00 H new ATOM 1309 N CYS A 74 2.425 -1.171 0.246 1.00 0.00 N ATOM 1310 CA CYS A 74 2.626 -2.268 -0.694 1.00 0.00 C ATOM 1311 C CYS A 74 3.841 -3.103 -0.303 1.00 0.00 C ATOM 1312 O CYS A 74 3.828 -4.329 -0.417 1.00 0.00 O ATOM 1313 CB CYS A 74 2.799 -1.727 -2.113 1.00 0.00 C ATOM 1314 SG CYS A 74 3.211 -2.989 -3.340 1.00 0.00 S ATOM 0 H CYS A 74 2.455 -0.243 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 74 1.743 -2.907 -0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.878 -1.229 -2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.584 -0.970 -2.109 1.00 0.00 H new ATOM 0 HG CYS A 74 3.335 -2.434 -4.509 1.00 0.00 H new ATOM 1320 N SER A 75 4.892 -2.431 0.155 1.00 0.00 N ATOM 1321 CA SER A 75 6.118 -3.109 0.557 1.00 0.00 C ATOM 1322 C SER A 75 5.878 -3.985 1.784 1.00 0.00 C ATOM 1323 O SER A 75 6.420 -5.084 1.892 1.00 0.00 O ATOM 1324 CB SER A 75 7.219 -2.088 0.853 1.00 0.00 C ATOM 1325 OG SER A 75 8.384 -2.723 1.348 1.00 0.00 O ATOM 0 H SER A 75 4.919 -1.416 0.257 1.00 0.00 H new ATOM 0 HA SER A 75 6.437 -3.747 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.460 -1.535 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.859 -1.362 1.582 1.00 0.00 H new ATOM 0 HG SER A 75 9.073 -2.049 1.528 1.00 0.00 H new ATOM 1331 N HIS A 76 5.061 -3.487 2.707 1.00 0.00 N ATOM 1332 CA HIS A 76 4.747 -4.223 3.927 1.00 0.00 C ATOM 1333 C HIS A 76 4.040 -5.536 3.603 1.00 0.00 C ATOM 1334 O HIS A 76 4.414 -6.595 4.106 1.00 0.00 O ATOM 1335 CB HIS A 76 3.872 -3.374 4.849 1.00 0.00 C ATOM 1336 CG HIS A 76 4.608 -2.241 5.496 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.816 -2.400 6.143 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.301 -0.926 5.593 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.219 -1.231 6.610 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.318 -0.320 6.289 1.00 0.00 N ATOM 0 H HIS A 76 4.605 -2.578 2.634 1.00 0.00 H new ATOM 0 HA HIS A 76 5.684 -4.451 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.036 -2.973 4.276 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.449 -4.012 5.625 1.00 0.00 H new ATOM 0 HD1 HIS A 76 6.319 -3.281 6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.420 -0.443 5.197 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.130 -1.051 7.161 1.00 0.00 H new ATOM 1348 N VAL A 77 3.016 -5.458 2.758 1.00 0.00 N ATOM 1349 CA VAL A 77 2.257 -6.640 2.366 1.00 0.00 C ATOM 1350 C VAL A 77 3.133 -7.627 1.604 1.00 0.00 C ATOM 1351 O VAL A 77 3.155 -8.819 1.913 1.00 0.00 O ATOM 1352 CB VAL A 77 1.045 -6.265 1.494 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.243 -7.505 1.131 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.171 -5.244 2.207 1.00 0.00 C ATOM 0 H VAL A 77 2.693 -4.589 2.332 1.00 0.00 H new ATOM 0 HA VAL A 77 1.902 -7.108 3.284 1.00 0.00 H new ATOM 0 HB VAL A 77 1.410 -5.815 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.609 -7.219 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.876 -8.198 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.113 -7.987 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.681 -4.990 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.186 -5.664 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.753 -4.345 2.409 1.00 0.00 H new ATOM 1364 N GLN A 78 3.854 -7.125 0.607 1.00 0.00 N ATOM 1365 CA GLN A 78 4.731 -7.963 -0.200 1.00 0.00 C ATOM 1366 C GLN A 78 5.826 -8.588 0.657 1.00 0.00 C ATOM 1367 O GLN A 78 6.142 -9.768 0.514 1.00 0.00 O ATOM 1368 CB GLN A 78 5.356 -7.144 -1.330 1.00 0.00 C ATOM 1369 CG GLN A 78 4.345 -6.636 -2.345 1.00 0.00 C ATOM 1370 CD GLN A 78 3.641 -7.760 -3.081 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.582 -8.290 -2.480 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.044 -8.148 -4.177 1.00 0.00 N flip ATOM 0 H GLN A 78 3.848 -6.141 0.339 1.00 0.00 H new ATOM 0 HA GLN A 78 4.131 -8.764 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.886 -6.294 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.098 -7.756 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.604 -6.020 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.851 -5.995 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.862 -7.712 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.560 -8.905 -4.660 1.00 0.00 H new ATOM 1381 N ASN A 79 6.404 -7.787 1.548 1.00 0.00 N ATOM 1382 CA ASN A 79 7.465 -8.261 2.428 1.00 0.00 C ATOM 1383 C ASN A 79 6.954 -9.364 3.352 1.00 0.00 C ATOM 1384 O ASN A 79 7.682 -10.301 3.678 1.00 0.00 O ATOM 1385 CB ASN A 79 8.024 -7.103 3.258 1.00 0.00 C ATOM 1386 CG ASN A 79 9.087 -7.556 4.240 1.00 0.00 C ATOM 1387 OD1 ASN A 79 8.802 -8.291 5.186 1.00 0.00 O ATOM 1388 ND2 ASN A 79 10.321 -7.118 4.019 1.00 0.00 N ATOM 0 H ASN A 79 6.155 -6.807 1.679 1.00 0.00 H new ATOM 0 HA ASN A 79 8.261 -8.671 1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.446 -6.352 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.210 -6.624 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.078 -7.389 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.511 -6.510 3.222 1.00 0.00 H new ATOM 1395 N MET A 80 5.698 -9.243 3.769 1.00 0.00 N ATOM 1396 CA MET A 80 5.089 -10.230 4.653 1.00 0.00 C ATOM 1397 C MET A 80 4.956 -11.579 3.952 1.00 0.00 C ATOM 1398 O MET A 80 5.281 -12.620 4.524 1.00 0.00 O ATOM 1399 CB MET A 80 3.716 -9.748 5.122 1.00 0.00 C ATOM 1400 CG MET A 80 3.782 -8.615 6.133 1.00 0.00 C ATOM 1401 SD MET A 80 2.239 -7.688 6.239 1.00 0.00 S ATOM 1402 CE MET A 80 1.464 -8.483 7.644 1.00 0.00 C ATOM 0 H MET A 80 5.083 -8.472 3.509 1.00 0.00 H new ATOM 0 HA MET A 80 5.738 -10.354 5.520 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.141 -9.419 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.177 -10.586 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.025 -9.023 7.114 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.591 -7.937 5.861 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.762 -7.792 8.112 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.930 -9.372 7.310 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.228 -8.769 8.367 1.00 0.00 H new ATOM 1412 N ILE A 81 4.476 -11.552 2.714 1.00 0.00 N ATOM 1413 CA ILE A 81 4.301 -12.773 1.936 1.00 0.00 C ATOM 1414 C ILE A 81 5.625 -13.507 1.761 1.00 0.00 C ATOM 1415 O ILE A 81 5.718 -14.712 2.002 1.00 0.00 O ATOM 1416 CB ILE A 81 3.704 -12.475 0.548 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.368 -11.744 0.690 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.527 -13.765 -0.240 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.939 -11.020 -0.567 1.00 0.00 C ATOM 0 H ILE A 81 4.201 -10.699 2.228 1.00 0.00 H new ATOM 0 HA ILE A 81 3.609 -13.405 2.492 1.00 0.00 H new ATOM 0 HB ILE A 81 4.393 -11.830 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.597 -12.463 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.441 -11.026 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.104 -13.538 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.495 -14.250 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.855 -14.432 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.984 -10.524 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.690 -10.277 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.833 -11.737 -1.381 1.00 0.00 H new ATOM 1431 N LYS A 82 6.651 -12.775 1.341 1.00 0.00 N ATOM 1432 CA LYS A 82 7.973 -13.354 1.135 1.00 0.00 C ATOM 1433 C LYS A 82 8.550 -13.873 2.449 1.00 0.00 C ATOM 1434 O LYS A 82 9.260 -14.876 2.473 1.00 0.00 O ATOM 1435 CB LYS A 82 8.918 -12.318 0.525 1.00 0.00 C ATOM 1436 CG LYS A 82 8.816 -12.216 -0.987 1.00 0.00 C ATOM 1437 CD LYS A 82 9.873 -11.286 -1.557 1.00 0.00 C ATOM 1438 CE LYS A 82 11.220 -11.983 -1.678 1.00 0.00 C ATOM 1439 NZ LYS A 82 12.350 -11.014 -1.648 1.00 0.00 N ATOM 0 H LYS A 82 6.592 -11.778 1.136 1.00 0.00 H new ATOM 0 HA LYS A 82 7.871 -14.193 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.704 -11.342 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.943 -12.571 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.927 -13.207 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.825 -11.854 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.556 -10.931 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.972 -10.409 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.333 -12.698 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.253 -12.551 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.250 -11.528 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.256 -10.347 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.334 -10.490 -0.750 1.00 0.00 H new ATOM 1453 N GLY A 83 8.238 -13.181 3.541 1.00 0.00 N ATOM 1454 CA GLY A 83 8.733 -13.588 4.843 1.00 0.00 C ATOM 1455 C GLY A 83 8.033 -14.825 5.368 1.00 0.00 C ATOM 1456 O GLY A 83 8.627 -15.623 6.095 1.00 0.00 O ATOM 0 H GLY A 83 7.652 -12.346 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.804 -13.781 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.599 -12.770 5.551 1.00 0.00 H new ATOM 1460 N VAL A 84 6.765 -14.987 5.002 1.00 0.00 N ATOM 1461 CA VAL A 84 5.982 -16.136 5.443 1.00 0.00 C ATOM 1462 C VAL A 84 6.047 -17.267 4.423 1.00 0.00 C ATOM 1463 O VAL A 84 5.565 -18.373 4.673 1.00 0.00 O ATOM 1464 CB VAL A 84 4.510 -15.755 5.678 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.407 -14.603 6.666 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.834 -15.400 4.362 1.00 0.00 C ATOM 0 H VAL A 84 6.258 -14.337 4.401 1.00 0.00 H new ATOM 0 HA VAL A 84 6.416 -16.473 6.384 1.00 0.00 H new ATOM 0 HB VAL A 84 3.995 -16.616 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.358 -14.348 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.851 -14.898 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.937 -13.736 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.794 -15.133 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.349 -14.555 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.874 -16.257 3.689 1.00 0.00 H new ATOM 1476 N THR A 85 6.647 -16.985 3.270 1.00 0.00 N ATOM 1477 CA THR A 85 6.773 -17.978 2.211 1.00 0.00 C ATOM 1478 C THR A 85 8.223 -18.416 2.040 1.00 0.00 C ATOM 1479 O THR A 85 8.499 -19.487 1.497 1.00 0.00 O ATOM 1480 CB THR A 85 6.251 -17.436 0.867 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.944 -16.231 0.521 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.756 -17.164 0.938 1.00 0.00 C ATOM 0 H THR A 85 7.053 -16.076 3.046 1.00 0.00 H new ATOM 0 HA THR A 85 6.169 -18.835 2.507 1.00 0.00 H new ATOM 0 HB THR A 85 6.432 -18.191 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.739 -15.535 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.410 -16.782 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.229 -18.089 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.557 -16.426 1.715 1.00 0.00 H new ATOM 1490 N LEU A 86 9.147 -17.584 2.506 1.00 0.00 N ATOM 1491 CA LEU A 86 10.571 -17.885 2.405 1.00 0.00 C ATOM 1492 C LEU A 86 11.201 -18.009 3.789 1.00 0.00 C ATOM 1493 O LEU A 86 11.934 -18.957 4.067 1.00 0.00 O ATOM 1494 CB LEU A 86 11.288 -16.800 1.601 1.00 0.00 C ATOM 1495 CG LEU A 86 10.734 -16.524 0.202 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.331 -15.246 -0.367 1.00 0.00 C ATOM 1497 CD2 LEU A 86 11.010 -17.701 -0.722 1.00 0.00 C ATOM 0 H LEU A 86 8.936 -16.694 2.958 1.00 0.00 H new ATOM 0 HA LEU A 86 10.679 -18.840 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.256 -15.872 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.337 -17.080 1.506 1.00 0.00 H new ATOM 0 HG LEU A 86 9.655 -16.393 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.925 -15.066 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.082 -14.407 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.414 -15.347 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.609 -17.488 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.085 -17.863 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.533 -18.596 -0.323 1.00 0.00 H new