USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 612 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 91 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc=-0.00847 USER MOD Set 2.1: A 35 TYR OH : rot 94:sc= -9.48! USER MOD Set 2.2: A 39 THR OG1 : rot -7:sc= 1.13 USER MOD Set 2.3: A 69 THR OG1 : rot 121:sc= -1.36! USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 SER OG : rot 180:sc= -2.03! USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.725 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.958! C(o=-0.96!,f=-3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 36 THR OG1 : rot -70:sc= -0.723 USER MOD Single : A 41 ASN : amide:sc= -0.38 K(o=-0.38,f=-3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 56 SER OG : rot 136:sc= -3.68! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.311 USER MOD Single : A 61 THR OG1 : rot 47:sc= -1.1! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 71 SER OG : rot 70:sc= 0.624 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -4.19! C(o=-4.2!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.87! USER MOD Single : A 86 TYR OH : rot 54:sc= 1.25! USER MOD Single : A 87 THR OG1 : rot -170:sc= -0.896 USER MOD Single : A 89 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.8!) USER MOD Single : A 92 TYR OH : rot -166:sc= -1.59 USER MOD Single : A 93 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 100 SER OG : rot -137:sc= 0.477 USER MOD Single : A 101 THR OG1 : rot 170:sc= -0.126 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.930 8.460 -5.111 1.00 0.00 N ATOM 113 CA THR A 8 1.631 7.310 -5.947 1.00 0.00 C ATOM 114 C THR A 8 1.969 6.012 -5.211 1.00 0.00 C ATOM 115 O THR A 8 3.084 5.844 -4.723 1.00 0.00 O ATOM 116 CB THR A 8 2.389 7.474 -7.266 1.00 0.00 C ATOM 117 OG1 THR A 8 3.128 8.679 -7.094 1.00 0.00 O ATOM 118 CG2 THR A 8 1.459 7.773 -8.444 1.00 0.00 C ATOM 0 HA THR A 8 0.566 7.252 -6.172 1.00 0.00 H new ATOM 0 HB THR A 8 2.956 6.567 -7.473 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.621 9.295 -6.525 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.048 7.880 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.750 6.954 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.915 8.698 -8.253 1.00 0.00 H new ATOM 126 N VAL A 9 0.982 5.129 -5.153 1.00 0.00 N ATOM 127 CA VAL A 9 1.160 3.851 -4.483 1.00 0.00 C ATOM 128 C VAL A 9 0.584 2.737 -5.359 1.00 0.00 C ATOM 129 O VAL A 9 -0.527 2.859 -5.875 1.00 0.00 O ATOM 130 CB VAL A 9 0.534 3.900 -3.088 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.992 3.840 -3.170 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.080 2.778 -2.203 1.00 0.00 C ATOM 0 H VAL A 9 0.057 5.273 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 9 2.219 3.638 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 9 0.808 4.851 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.412 3.876 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.359 4.688 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.294 2.912 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.619 2.835 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.850 1.813 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.160 2.885 -2.105 1.00 0.00 H new ATOM 142 N LYS A 10 1.363 1.675 -5.500 1.00 0.00 N ATOM 143 CA LYS A 10 0.946 0.540 -6.304 1.00 0.00 C ATOM 144 C LYS A 10 1.367 -0.756 -5.608 1.00 0.00 C ATOM 145 O LYS A 10 2.343 -0.774 -4.859 1.00 0.00 O ATOM 146 CB LYS A 10 1.475 0.671 -7.733 1.00 0.00 C ATOM 147 CG LYS A 10 0.326 0.816 -8.733 1.00 0.00 C ATOM 148 CD LYS A 10 0.596 1.954 -9.717 1.00 0.00 C ATOM 149 CE LYS A 10 -0.603 2.180 -10.640 1.00 0.00 C ATOM 150 NZ LYS A 10 -0.161 2.295 -12.047 1.00 0.00 N ATOM 0 H LYS A 10 2.283 1.577 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.140 0.516 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.134 1.537 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.072 -0.205 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.195 -0.118 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.604 1.006 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.814 2.870 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.479 1.722 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.307 1.354 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.132 3.086 -10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.988 2.448 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.493 3.098 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.323 1.420 -12.331 1.00 0.00 H new ATOM 164 N ILE A 11 0.611 -1.809 -5.880 1.00 0.00 N ATOM 165 CA ILE A 11 0.894 -3.107 -5.291 1.00 0.00 C ATOM 166 C ILE A 11 0.970 -4.160 -6.397 1.00 0.00 C ATOM 167 O ILE A 11 -0.044 -4.506 -7.001 1.00 0.00 O ATOM 168 CB ILE A 11 -0.126 -3.432 -4.199 1.00 0.00 C ATOM 169 CG1 ILE A 11 0.244 -4.726 -3.469 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.544 -3.484 -4.772 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.762 -4.910 -3.415 1.00 0.00 C ATOM 0 H ILE A 11 -0.198 -1.790 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 11 1.865 -3.097 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.104 -2.629 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.160 -4.705 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.211 -5.577 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.250 -3.717 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.796 -2.518 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.598 -4.255 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.998 -5.836 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.159 -4.955 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.212 -4.070 -2.886 1.00 0.00 H new ATOM 183 N LEU A 12 2.181 -4.642 -6.630 1.00 0.00 N ATOM 184 CA LEU A 12 2.403 -5.649 -7.654 1.00 0.00 C ATOM 185 C LEU A 12 2.777 -6.974 -6.986 1.00 0.00 C ATOM 186 O LEU A 12 3.441 -6.988 -5.951 1.00 0.00 O ATOM 187 CB LEU A 12 3.435 -5.162 -8.672 1.00 0.00 C ATOM 188 CG LEU A 12 4.875 -5.622 -8.439 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.422 -5.071 -7.121 1.00 0.00 C ATOM 190 CD2 LEU A 12 4.981 -7.147 -8.512 1.00 0.00 C ATOM 0 H LEU A 12 3.020 -4.354 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 12 1.489 -5.823 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.124 -5.494 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.420 -4.072 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 12 5.496 -5.217 -9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.447 -5.414 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.404 -3.981 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.805 -5.425 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.015 -7.448 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.344 -7.593 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.660 -7.487 -9.497 1.00 0.00 H new ATOM 202 N GLN A 13 2.331 -8.059 -7.605 1.00 0.00 N ATOM 203 CA GLN A 13 2.611 -9.385 -7.085 1.00 0.00 C ATOM 204 C GLN A 13 3.702 -10.064 -7.916 1.00 0.00 C ATOM 205 O GLN A 13 3.759 -9.889 -9.133 1.00 0.00 O ATOM 206 CB GLN A 13 1.341 -10.238 -7.048 1.00 0.00 C ATOM 207 CG GLN A 13 0.122 -9.428 -7.495 1.00 0.00 C ATOM 208 CD GLN A 13 0.017 -9.397 -9.022 1.00 0.00 C ATOM 209 OE1 GLN A 13 0.992 -9.543 -9.741 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.217 -9.200 -9.474 1.00 0.00 N ATOM 0 H GLN A 13 1.778 -8.045 -8.462 1.00 0.00 H new ATOM 0 HA GLN A 13 2.972 -9.283 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.463 -11.106 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.181 -10.615 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.784 -9.863 -7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.196 -8.411 -7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.989 -9.085 -8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.393 -9.164 -10.478 1.00 0.00 H new ATOM 219 N SER A 14 4.542 -10.822 -7.227 1.00 0.00 N ATOM 220 CA SER A 14 5.628 -11.527 -7.885 1.00 0.00 C ATOM 221 C SER A 14 5.667 -12.983 -7.419 1.00 0.00 C ATOM 222 O SER A 14 6.538 -13.367 -6.641 1.00 0.00 O ATOM 223 CB SER A 14 6.970 -10.847 -7.614 1.00 0.00 C ATOM 224 OG SER A 14 7.672 -10.552 -8.818 1.00 0.00 O ATOM 0 H SER A 14 4.492 -10.963 -6.218 1.00 0.00 H new ATOM 0 HA SER A 14 5.449 -11.502 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.803 -9.925 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.583 -11.493 -6.986 1.00 0.00 H new ATOM 0 HG SER A 14 8.523 -10.117 -8.602 1.00 0.00 H new ATOM 230 N SER A 15 4.709 -13.755 -7.912 1.00 0.00 N ATOM 231 CA SER A 15 4.623 -15.160 -7.557 1.00 0.00 C ATOM 232 C SER A 15 4.896 -16.031 -8.785 1.00 0.00 C ATOM 233 O SER A 15 6.015 -16.507 -8.974 1.00 0.00 O ATOM 234 CB SER A 15 3.251 -15.496 -6.966 1.00 0.00 C ATOM 235 OG SER A 15 2.202 -15.306 -7.911 1.00 0.00 O ATOM 0 H SER A 15 3.986 -13.433 -8.555 1.00 0.00 H new ATOM 0 HA SER A 15 5.378 -15.366 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.247 -16.531 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.070 -14.870 -6.092 1.00 0.00 H new ATOM 0 HG SER A 15 1.343 -15.532 -7.496 1.00 0.00 H new ATOM 351 N THR A 25 6.842 -19.012 -2.763 1.00 0.00 N ATOM 352 CA THR A 25 6.314 -17.982 -1.886 1.00 0.00 C ATOM 353 C THR A 25 5.605 -16.899 -2.701 1.00 0.00 C ATOM 354 O THR A 25 5.203 -17.136 -3.839 1.00 0.00 O ATOM 355 CB THR A 25 7.468 -17.447 -1.037 1.00 0.00 C ATOM 356 OG1 THR A 25 8.127 -16.516 -1.894 1.00 0.00 O ATOM 357 CG2 THR A 25 8.531 -18.509 -0.753 1.00 0.00 C ATOM 0 HA THR A 25 5.557 -18.385 -1.213 1.00 0.00 H new ATOM 0 HB THR A 25 7.077 -17.066 -0.094 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.889 -16.119 -1.422 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.326 -18.075 -0.147 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.078 -19.342 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.947 -18.868 -1.694 1.00 0.00 H new ATOM 365 N ILE A 26 5.472 -15.732 -2.086 1.00 0.00 N ATOM 366 CA ILE A 26 4.818 -14.613 -2.741 1.00 0.00 C ATOM 367 C ILE A 26 5.664 -13.352 -2.550 1.00 0.00 C ATOM 368 O ILE A 26 6.068 -13.036 -1.432 1.00 0.00 O ATOM 369 CB ILE A 26 3.377 -14.468 -2.246 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.427 -14.162 -3.405 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.282 -13.422 -1.134 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.061 -13.704 -2.888 1.00 0.00 C ATOM 0 H ILE A 26 5.806 -15.538 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 26 4.744 -14.790 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 26 3.065 -15.421 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.858 -13.387 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.306 -15.050 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.248 -13.339 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.910 -13.724 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.620 -12.457 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.405 -13.493 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.622 -14.491 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.183 -12.802 -2.289 1.00 0.00 H new ATOM 384 N GLN A 27 5.903 -12.665 -3.657 1.00 0.00 N ATOM 385 CA GLN A 27 6.692 -11.445 -3.624 1.00 0.00 C ATOM 386 C GLN A 27 5.823 -10.240 -3.991 1.00 0.00 C ATOM 387 O GLN A 27 5.801 -9.814 -5.145 1.00 0.00 O ATOM 388 CB GLN A 27 7.902 -11.550 -4.555 1.00 0.00 C ATOM 389 CG GLN A 27 9.205 -11.607 -3.754 1.00 0.00 C ATOM 390 CD GLN A 27 10.355 -12.135 -4.614 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.325 -12.086 -5.833 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.366 -12.641 -3.914 1.00 0.00 N ATOM 0 H GLN A 27 5.564 -12.930 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 27 7.065 -11.304 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.812 -12.442 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.922 -10.694 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.451 -10.612 -3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.073 -12.249 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.326 -12.651 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.181 -13.019 -4.396 1.00 0.00 H new ATOM 401 N LEU A 28 5.128 -9.725 -2.986 1.00 0.00 N ATOM 402 CA LEU A 28 4.258 -8.578 -3.189 1.00 0.00 C ATOM 403 C LEU A 28 5.007 -7.303 -2.799 1.00 0.00 C ATOM 404 O LEU A 28 5.196 -7.025 -1.616 1.00 0.00 O ATOM 405 CB LEU A 28 2.938 -8.769 -2.439 1.00 0.00 C ATOM 406 CG LEU A 28 2.360 -10.186 -2.447 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.381 -10.384 -1.289 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.722 -10.510 -3.799 1.00 0.00 C ATOM 0 H LEU A 28 5.150 -10.081 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 28 3.990 -8.483 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.084 -8.464 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.198 -8.094 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 28 3.179 -10.890 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.984 -11.399 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.899 -10.223 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.561 -9.671 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.319 -11.523 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.917 -9.803 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.475 -10.435 -4.584 1.00 0.00 H new ATOM 420 N LEU A 29 5.416 -6.561 -3.818 1.00 0.00 N ATOM 421 CA LEU A 29 6.140 -5.320 -3.598 1.00 0.00 C ATOM 422 C LEU A 29 5.214 -4.136 -3.884 1.00 0.00 C ATOM 423 O LEU A 29 4.650 -4.034 -4.973 1.00 0.00 O ATOM 424 CB LEU A 29 7.431 -5.303 -4.417 1.00 0.00 C ATOM 425 CG LEU A 29 8.047 -6.668 -4.729 1.00 0.00 C ATOM 426 CD1 LEU A 29 7.817 -7.649 -3.578 1.00 0.00 C ATOM 427 CD2 LEU A 29 7.528 -7.212 -6.062 1.00 0.00 C ATOM 0 H LEU A 29 5.260 -6.795 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 29 6.449 -5.238 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.233 -4.792 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.170 -4.707 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 29 9.125 -6.542 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.265 -8.612 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.276 -7.258 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.747 -7.777 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.982 -8.183 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.445 -7.321 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.788 -6.520 -6.863 1.00 0.00 H new ATOM 439 N CYS A 30 5.088 -3.272 -2.889 1.00 0.00 N ATOM 440 CA CYS A 30 4.239 -2.098 -3.020 1.00 0.00 C ATOM 441 C CYS A 30 5.111 -0.922 -3.462 1.00 0.00 C ATOM 442 O CYS A 30 6.013 -0.507 -2.737 1.00 0.00 O ATOM 443 CB CYS A 30 3.488 -1.796 -1.721 1.00 0.00 C ATOM 444 SG CYS A 30 1.740 -1.303 -1.942 1.00 0.00 S ATOM 0 H CYS A 30 5.559 -3.360 -1.988 1.00 0.00 H new ATOM 0 HA CYS A 30 3.472 -2.282 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.524 -2.679 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.011 -1.000 -1.192 1.00 0.00 H new ATOM 449 N LEU A 31 4.812 -0.419 -4.651 1.00 0.00 N ATOM 450 CA LEU A 31 5.557 0.701 -5.198 1.00 0.00 C ATOM 451 C LEU A 31 4.897 2.009 -4.760 1.00 0.00 C ATOM 452 O LEU A 31 3.806 2.342 -5.217 1.00 0.00 O ATOM 453 CB LEU A 31 5.697 0.560 -6.715 1.00 0.00 C ATOM 454 CG LEU A 31 4.426 0.799 -7.532 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.307 2.267 -7.945 1.00 0.00 C ATOM 456 CD2 LEU A 31 4.364 -0.142 -8.736 1.00 0.00 C ATOM 0 H LEU A 31 4.064 -0.767 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 31 6.574 0.711 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.461 1.259 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.063 -0.443 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 31 3.567 0.572 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.395 2.409 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.272 2.894 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.169 2.545 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.451 0.048 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.229 0.030 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.368 -1.176 -8.390 1.00 0.00 H new ATOM 468 N VAL A 32 5.589 2.719 -3.880 1.00 0.00 N ATOM 469 CA VAL A 32 5.084 3.985 -3.376 1.00 0.00 C ATOM 470 C VAL A 32 6.222 5.008 -3.345 1.00 0.00 C ATOM 471 O VAL A 32 7.129 4.909 -2.519 1.00 0.00 O ATOM 472 CB VAL A 32 4.430 3.779 -2.008 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.479 3.755 -0.895 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.370 4.849 -1.741 1.00 0.00 C ATOM 0 H VAL A 32 6.495 2.441 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 32 4.311 4.378 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 32 3.932 2.809 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.986 3.607 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.180 2.939 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.020 4.701 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.921 4.680 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.835 5.835 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.598 4.796 -2.509 1.00 0.00 H new ATOM 484 N SER A 33 6.138 5.965 -4.256 1.00 0.00 N ATOM 485 CA SER A 33 7.150 7.004 -4.343 1.00 0.00 C ATOM 486 C SER A 33 6.515 8.315 -4.815 1.00 0.00 C ATOM 487 O SER A 33 5.303 8.383 -5.019 1.00 0.00 O ATOM 488 CB SER A 33 8.281 6.594 -5.287 1.00 0.00 C ATOM 489 OG SER A 33 7.788 6.086 -6.522 1.00 0.00 O ATOM 0 H SER A 33 5.386 6.043 -4.940 1.00 0.00 H new ATOM 0 HA SER A 33 7.576 7.150 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.922 7.454 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.899 5.837 -4.805 1.00 0.00 H new ATOM 0 HG SER A 33 8.541 5.837 -7.097 1.00 0.00 H new ATOM 495 N GLY A 34 7.362 9.320 -4.977 1.00 0.00 N ATOM 496 CA GLY A 34 6.897 10.624 -5.421 1.00 0.00 C ATOM 497 C GLY A 34 6.307 11.423 -4.257 1.00 0.00 C ATOM 498 O GLY A 34 6.634 12.594 -4.072 1.00 0.00 O ATOM 0 H GLY A 34 8.366 9.259 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.725 11.178 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.144 10.500 -6.200 1.00 0.00 H new ATOM 502 N TYR A 35 5.447 10.757 -3.499 1.00 0.00 N ATOM 503 CA TYR A 35 4.809 11.390 -2.357 1.00 0.00 C ATOM 504 C TYR A 35 5.840 11.765 -1.291 1.00 0.00 C ATOM 505 O TYR A 35 6.907 11.156 -1.212 1.00 0.00 O ATOM 506 CB TYR A 35 3.850 10.347 -1.778 1.00 0.00 C ATOM 507 CG TYR A 35 4.550 9.135 -1.162 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.204 9.257 0.048 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.527 7.917 -1.812 1.00 0.00 C ATOM 510 CE1 TYR A 35 5.862 8.115 0.630 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.185 6.777 -1.231 1.00 0.00 C ATOM 512 CZ TYR A 35 5.820 6.932 -0.039 1.00 0.00 C ATOM 513 OH TYR A 35 6.441 5.854 0.512 1.00 0.00 O ATOM 0 H TYR A 35 5.177 9.786 -3.654 1.00 0.00 H new ATOM 0 HA TYR A 35 4.299 12.304 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.230 10.821 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.181 10.005 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.222 10.209 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.014 7.820 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.377 8.197 1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.175 5.820 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 35 5.795 5.337 1.037 1.00 0.00 H new ATOM 523 N THR A 36 5.486 12.765 -0.498 1.00 0.00 N ATOM 524 CA THR A 36 6.368 13.229 0.561 1.00 0.00 C ATOM 525 C THR A 36 7.791 13.407 0.030 1.00 0.00 C ATOM 526 O THR A 36 8.273 12.587 -0.751 1.00 0.00 O ATOM 527 CB THR A 36 6.272 12.239 1.723 1.00 0.00 C ATOM 528 OG1 THR A 36 4.881 11.935 1.808 1.00 0.00 O ATOM 529 CG2 THR A 36 6.594 12.887 3.071 1.00 0.00 C ATOM 0 H THR A 36 4.601 13.267 -0.567 1.00 0.00 H new ATOM 0 HA THR A 36 6.066 14.211 0.926 1.00 0.00 H new ATOM 0 HB THR A 36 6.953 11.407 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.395 12.719 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.511 12.142 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.609 13.284 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.891 13.698 3.262 1.00 0.00 H new ATOM 537 N PRO A 37 8.440 14.513 0.484 1.00 0.00 N ATOM 538 CA PRO A 37 9.799 14.810 0.062 1.00 0.00 C ATOM 539 C PRO A 37 10.803 13.890 0.762 1.00 0.00 C ATOM 540 O PRO A 37 11.952 13.787 0.342 1.00 0.00 O ATOM 541 CB PRO A 37 10.004 16.276 0.398 1.00 0.00 C ATOM 542 CG PRO A 37 8.927 16.627 1.412 1.00 0.00 C ATOM 543 CD PRO A 37 7.899 15.507 1.407 1.00 0.00 C ATOM 0 HA PRO A 37 9.957 14.634 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.999 16.447 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.918 16.897 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.361 16.742 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.458 17.577 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.764 15.089 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.924 15.865 1.076 1.00 0.00 H new ATOM 551 N GLY A 38 10.329 13.245 1.819 1.00 0.00 N ATOM 552 CA GLY A 38 11.170 12.338 2.581 1.00 0.00 C ATOM 553 C GLY A 38 10.535 10.948 2.672 1.00 0.00 C ATOM 554 O GLY A 38 11.068 10.062 3.339 1.00 0.00 O ATOM 0 H GLY A 38 9.374 13.333 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.151 12.264 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.326 12.737 3.583 1.00 0.00 H new ATOM 558 N THR A 39 9.407 10.802 1.993 1.00 0.00 N ATOM 559 CA THR A 39 8.695 9.536 1.990 1.00 0.00 C ATOM 560 C THR A 39 7.648 9.510 3.106 1.00 0.00 C ATOM 561 O THR A 39 7.348 10.541 3.704 1.00 0.00 O ATOM 562 CB THR A 39 9.728 8.412 2.100 1.00 0.00 C ATOM 563 OG1 THR A 39 9.164 7.346 1.342 1.00 0.00 O ATOM 564 CG2 THR A 39 9.829 7.846 3.519 1.00 0.00 C ATOM 0 H THR A 39 8.969 11.539 1.441 1.00 0.00 H new ATOM 0 HA THR A 39 8.139 9.397 1.063 1.00 0.00 H new ATOM 0 HB THR A 39 10.703 8.784 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.251 7.582 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.575 7.052 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.122 8.639 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.862 7.443 3.820 1.00 0.00 H new ATOM 572 N ILE A 40 7.121 8.319 3.352 1.00 0.00 N ATOM 573 CA ILE A 40 6.112 8.146 4.383 1.00 0.00 C ATOM 574 C ILE A 40 6.506 6.970 5.280 1.00 0.00 C ATOM 575 O ILE A 40 7.683 6.786 5.589 1.00 0.00 O ATOM 576 CB ILE A 40 4.724 8.005 3.758 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.660 6.787 2.834 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.312 9.291 3.040 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.625 6.994 1.726 1.00 0.00 C ATOM 0 H ILE A 40 7.374 7.465 2.855 1.00 0.00 H new ATOM 0 HA ILE A 40 6.060 9.030 5.018 1.00 0.00 H new ATOM 0 HB ILE A 40 4.004 7.840 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.640 6.609 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.406 5.899 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.321 9.163 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.292 10.115 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.030 9.512 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.599 6.114 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.642 7.147 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.896 7.868 1.134 1.00 0.00 H new ATOM 591 N ASN A 41 5.498 6.206 5.675 1.00 0.00 N ATOM 592 CA ASN A 41 5.724 5.053 6.531 1.00 0.00 C ATOM 593 C ASN A 41 5.332 3.780 5.776 1.00 0.00 C ATOM 594 O ASN A 41 4.626 3.842 4.772 1.00 0.00 O ATOM 595 CB ASN A 41 4.869 5.134 7.797 1.00 0.00 C ATOM 596 CG ASN A 41 5.140 3.940 8.716 1.00 0.00 C ATOM 597 OD1 ASN A 41 6.266 3.505 8.898 1.00 0.00 O ATOM 598 ND2 ASN A 41 4.048 3.437 9.284 1.00 0.00 N ATOM 0 H ASN A 41 4.523 6.362 5.418 1.00 0.00 H new ATOM 0 HA ASN A 41 6.778 5.037 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.084 6.062 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.813 5.158 7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.123 2.639 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.136 3.849 9.089 1.00 0.00 H new ATOM 605 N ILE A 42 5.809 2.656 6.291 1.00 0.00 N ATOM 606 CA ILE A 42 5.517 1.371 5.681 1.00 0.00 C ATOM 607 C ILE A 42 4.684 0.529 6.648 1.00 0.00 C ATOM 608 O ILE A 42 5.011 0.429 7.831 1.00 0.00 O ATOM 609 CB ILE A 42 6.811 0.689 5.225 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.898 1.721 4.922 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.551 -0.239 4.036 1.00 0.00 C ATOM 612 CD1 ILE A 42 7.378 2.801 3.971 1.00 0.00 C ATOM 0 H ILE A 42 6.396 2.609 7.124 1.00 0.00 H new ATOM 0 HA ILE A 42 4.919 1.503 4.779 1.00 0.00 H new ATOM 0 HB ILE A 42 7.178 0.069 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.237 2.181 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.761 1.226 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.485 -0.711 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.834 -1.007 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.149 0.339 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.170 3.522 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.063 2.340 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.530 3.311 4.428 1.00 0.00 H new ATOM 624 N THR A 43 3.626 -0.060 6.110 1.00 0.00 N ATOM 625 CA THR A 43 2.744 -0.892 6.912 1.00 0.00 C ATOM 626 C THR A 43 2.025 -1.913 6.027 1.00 0.00 C ATOM 627 O THR A 43 1.906 -1.718 4.819 1.00 0.00 O ATOM 628 CB THR A 43 1.788 0.030 7.673 1.00 0.00 C ATOM 629 OG1 THR A 43 2.591 1.159 8.011 1.00 0.00 O ATOM 630 CG2 THR A 43 1.372 -0.549 9.027 1.00 0.00 C ATOM 0 H THR A 43 3.359 0.022 5.129 1.00 0.00 H new ATOM 0 HA THR A 43 3.306 -1.477 7.641 1.00 0.00 H new ATOM 0 HB THR A 43 0.900 0.213 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.050 1.809 8.506 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.694 0.144 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.868 -1.504 8.875 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.257 -0.700 9.646 1.00 0.00 H new ATOM 638 N TRP A 44 1.567 -2.980 6.666 1.00 0.00 N ATOM 639 CA TRP A 44 0.866 -4.033 5.952 1.00 0.00 C ATOM 640 C TRP A 44 -0.155 -4.654 6.910 1.00 0.00 C ATOM 641 O TRP A 44 0.184 -5.008 8.040 1.00 0.00 O ATOM 642 CB TRP A 44 1.846 -5.057 5.379 1.00 0.00 C ATOM 643 CG TRP A 44 2.899 -4.455 4.445 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.844 -3.550 4.740 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.077 -4.754 3.045 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.613 -3.246 3.636 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.133 -4.000 2.573 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.368 -5.630 2.204 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.574 -4.047 1.245 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.824 -5.666 0.881 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.885 -4.914 0.390 1.00 0.00 C ATOM 0 H TRP A 44 1.668 -3.137 7.669 1.00 0.00 H new ATOM 0 HA TRP A 44 0.336 -3.626 5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.351 -5.562 6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.285 -5.817 4.836 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.985 -3.114 5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.392 -2.588 3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.538 -6.227 2.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.402 -3.446 0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.315 -6.325 0.193 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.176 -4.999 -0.647 1.00 0.00 H new ATOM 662 N LEU A 45 -1.382 -4.768 6.424 1.00 0.00 N ATOM 663 CA LEU A 45 -2.453 -5.340 7.223 1.00 0.00 C ATOM 664 C LEU A 45 -2.676 -6.795 6.802 1.00 0.00 C ATOM 665 O LEU A 45 -3.160 -7.060 5.704 1.00 0.00 O ATOM 666 CB LEU A 45 -3.710 -4.473 7.131 1.00 0.00 C ATOM 667 CG LEU A 45 -4.331 -4.050 8.463 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.090 -2.728 8.319 1.00 0.00 C ATOM 669 CD2 LEU A 45 -5.216 -5.160 9.033 1.00 0.00 C ATOM 0 H LEU A 45 -1.659 -4.474 5.487 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.178 -5.352 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.467 -3.574 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.462 -5.017 6.559 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.525 -3.883 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.522 -2.450 9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.403 -1.948 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.886 -2.844 7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.645 -4.833 9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.018 -5.383 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.617 -6.056 9.196 1.00 0.00 H new ATOM 681 N GLU A 46 -2.311 -7.699 7.701 1.00 0.00 N ATOM 682 CA GLU A 46 -2.466 -9.119 7.436 1.00 0.00 C ATOM 683 C GLU A 46 -3.720 -9.653 8.129 1.00 0.00 C ATOM 684 O GLU A 46 -3.712 -9.903 9.332 1.00 0.00 O ATOM 685 CB GLU A 46 -1.224 -9.896 7.876 1.00 0.00 C ATOM 686 CG GLU A 46 -0.750 -10.844 6.772 1.00 0.00 C ATOM 687 CD GLU A 46 -0.402 -12.221 7.343 1.00 0.00 C ATOM 688 OE1 GLU A 46 0.615 -12.814 6.953 1.00 0.00 O ATOM 689 OE2 GLU A 46 -1.228 -12.670 8.224 1.00 0.00 O ATOM 0 H GLU A 46 -1.909 -7.475 8.612 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.581 -9.259 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.425 -9.199 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.448 -10.466 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.529 -10.946 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.123 -10.421 6.275 1.00 0.00 H new ATOM 697 N ASP A 47 -4.772 -9.814 7.337 1.00 0.00 N ATOM 698 CA ASP A 47 -6.032 -10.316 7.857 1.00 0.00 C ATOM 699 C ASP A 47 -5.992 -11.845 7.895 1.00 0.00 C ATOM 700 O ASP A 47 -6.506 -12.505 6.995 1.00 0.00 O ATOM 701 CB ASP A 47 -7.201 -9.896 6.967 1.00 0.00 C ATOM 702 CG ASP A 47 -8.521 -9.655 7.703 1.00 0.00 C ATOM 703 OD1 ASP A 47 -8.582 -9.712 8.939 1.00 0.00 O ATOM 704 OD2 ASP A 47 -9.531 -9.398 6.942 1.00 0.00 O ATOM 0 H ASP A 47 -4.776 -9.605 6.339 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.172 -9.903 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.926 -8.984 6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.359 -10.667 6.212 1.00 0.00 H new ATOM 796 N ASP A 54 5.191 -14.321 7.657 1.00 0.00 N ATOM 797 CA ASP A 54 5.378 -13.515 6.462 1.00 0.00 C ATOM 798 C ASP A 54 5.164 -12.040 6.808 1.00 0.00 C ATOM 799 O ASP A 54 4.200 -11.691 7.487 1.00 0.00 O ATOM 800 CB ASP A 54 4.371 -13.898 5.377 1.00 0.00 C ATOM 801 CG ASP A 54 4.099 -15.397 5.247 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.939 -15.834 5.185 1.00 0.00 O ATOM 803 OD2 ASP A 54 5.150 -16.141 5.209 1.00 0.00 O ATOM 0 HA ASP A 54 6.389 -13.688 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.429 -13.390 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.733 -13.525 4.419 1.00 0.00 H new ATOM 809 N LEU A 55 6.078 -11.212 6.323 1.00 0.00 N ATOM 810 CA LEU A 55 6.002 -9.783 6.572 1.00 0.00 C ATOM 811 C LEU A 55 6.442 -9.028 5.316 1.00 0.00 C ATOM 812 O LEU A 55 7.116 -9.588 4.453 1.00 0.00 O ATOM 813 CB LEU A 55 6.800 -9.413 7.824 1.00 0.00 C ATOM 814 CG LEU A 55 7.906 -8.374 7.631 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.861 -8.790 6.511 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.316 -6.983 7.395 1.00 0.00 C ATOM 0 H LEU A 55 6.876 -11.504 5.758 1.00 0.00 H new ATOM 0 HA LEU A 55 4.974 -9.486 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.105 -9.040 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.248 -10.321 8.227 1.00 0.00 H new ATOM 0 HG LEU A 55 8.491 -8.324 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.637 -8.034 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.320 -9.746 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.307 -8.887 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.123 -6.263 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.692 -6.999 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.711 -6.694 8.254 1.00 0.00 H new ATOM 828 N SER A 56 6.044 -7.765 5.255 1.00 0.00 N ATOM 829 CA SER A 56 6.388 -6.927 4.119 1.00 0.00 C ATOM 830 C SER A 56 6.980 -5.603 4.608 1.00 0.00 C ATOM 831 O SER A 56 6.431 -4.967 5.505 1.00 0.00 O ATOM 832 CB SER A 56 5.169 -6.668 3.234 1.00 0.00 C ATOM 833 OG SER A 56 3.948 -6.776 3.962 1.00 0.00 O ATOM 0 H SER A 56 5.487 -7.302 5.973 1.00 0.00 H new ATOM 0 HA SER A 56 7.131 -7.452 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.243 -5.672 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.163 -7.379 2.408 1.00 0.00 H new ATOM 0 HG SER A 56 3.354 -6.037 3.715 1.00 0.00 H new ATOM 839 N THR A 57 8.094 -5.227 3.993 1.00 0.00 N ATOM 840 CA THR A 57 8.766 -3.991 4.355 1.00 0.00 C ATOM 841 C THR A 57 9.081 -3.170 3.103 1.00 0.00 C ATOM 842 O THR A 57 9.156 -3.714 2.001 1.00 0.00 O ATOM 843 CB THR A 57 10.007 -4.349 5.174 1.00 0.00 C ATOM 844 OG1 THR A 57 9.805 -5.714 5.530 1.00 0.00 O ATOM 845 CG2 THR A 57 10.052 -3.617 6.518 1.00 0.00 C ATOM 0 H THR A 57 8.546 -5.757 3.248 1.00 0.00 H new ATOM 0 HA THR A 57 8.126 -3.358 4.969 1.00 0.00 H new ATOM 0 HB THR A 57 10.903 -4.111 4.600 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.565 -6.029 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.952 -3.906 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.062 -2.541 6.346 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.173 -3.882 7.106 1.00 0.00 H new ATOM 853 N ALA A 58 9.259 -1.874 3.312 1.00 0.00 N ATOM 854 CA ALA A 58 9.565 -0.973 2.213 1.00 0.00 C ATOM 855 C ALA A 58 10.714 -0.050 2.622 1.00 0.00 C ATOM 856 O ALA A 58 10.876 0.261 3.802 1.00 0.00 O ATOM 857 CB ALA A 58 8.306 -0.198 1.824 1.00 0.00 C ATOM 0 H ALA A 58 9.197 -1.426 4.226 1.00 0.00 H new ATOM 0 HA ALA A 58 9.888 -1.533 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.535 0.478 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.529 -0.897 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.955 0.379 2.680 1.00 0.00 H new ATOM 863 N SER A 59 11.483 0.363 1.626 1.00 0.00 N ATOM 864 CA SER A 59 12.613 1.245 1.867 1.00 0.00 C ATOM 865 C SER A 59 12.309 2.644 1.330 1.00 0.00 C ATOM 866 O SER A 59 11.537 2.795 0.382 1.00 0.00 O ATOM 867 CB SER A 59 13.887 0.695 1.223 1.00 0.00 C ATOM 868 OG SER A 59 14.845 0.288 2.198 1.00 0.00 O ATOM 0 H SER A 59 11.346 0.103 0.649 1.00 0.00 H new ATOM 0 HA SER A 59 12.778 1.304 2.943 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.635 -0.153 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.326 1.457 0.579 1.00 0.00 H new ATOM 0 HG SER A 59 15.643 -0.059 1.747 1.00 0.00 H new ATOM 874 N THR A 60 12.929 3.633 1.956 1.00 0.00 N ATOM 875 CA THR A 60 12.735 5.014 1.552 1.00 0.00 C ATOM 876 C THR A 60 13.961 5.527 0.793 1.00 0.00 C ATOM 877 O THR A 60 15.093 5.187 1.134 1.00 0.00 O ATOM 878 CB THR A 60 12.411 5.832 2.804 1.00 0.00 C ATOM 879 OG1 THR A 60 12.560 7.185 2.384 1.00 0.00 O ATOM 880 CG2 THR A 60 13.465 5.663 3.903 1.00 0.00 C ATOM 0 H THR A 60 13.567 3.505 2.741 1.00 0.00 H new ATOM 0 HA THR A 60 11.900 5.108 0.858 1.00 0.00 H new ATOM 0 HB THR A 60 11.435 5.536 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.685 7.759 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.187 6.264 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.523 4.614 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.435 5.991 3.530 1.00 0.00 H new ATOM 888 N THR A 61 13.693 6.335 -0.222 1.00 0.00 N ATOM 889 CA THR A 61 14.760 6.896 -1.033 1.00 0.00 C ATOM 890 C THR A 61 14.423 8.333 -1.435 1.00 0.00 C ATOM 891 O THR A 61 13.258 8.725 -1.436 1.00 0.00 O ATOM 892 CB THR A 61 14.985 5.968 -2.228 1.00 0.00 C ATOM 893 OG1 THR A 61 13.722 5.336 -2.419 1.00 0.00 O ATOM 894 CG2 THR A 61 15.934 4.814 -1.902 1.00 0.00 C ATOM 0 H THR A 61 12.753 6.615 -0.501 1.00 0.00 H new ATOM 0 HA THR A 61 15.693 6.958 -0.472 1.00 0.00 H new ATOM 0 HB THR A 61 15.386 6.542 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.012 6.011 -2.395 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.059 4.186 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.902 5.213 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.518 4.219 -1.089 1.00 0.00 H new ATOM 902 N GLN A 62 15.467 9.080 -1.767 1.00 0.00 N ATOM 903 CA GLN A 62 15.297 10.466 -2.170 1.00 0.00 C ATOM 904 C GLN A 62 15.227 10.571 -3.695 1.00 0.00 C ATOM 905 O GLN A 62 16.075 10.022 -4.397 1.00 0.00 O ATOM 906 CB GLN A 62 16.420 11.342 -1.611 1.00 0.00 C ATOM 907 CG GLN A 62 16.079 12.826 -1.752 1.00 0.00 C ATOM 908 CD GLN A 62 17.349 13.678 -1.807 1.00 0.00 C ATOM 909 OE1 GLN A 62 17.917 14.057 -0.797 1.00 0.00 O ATOM 910 NE2 GLN A 62 17.761 13.955 -3.040 1.00 0.00 N ATOM 0 H GLN A 62 16.433 8.752 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 62 14.357 10.831 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.585 11.101 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.350 11.127 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.492 12.983 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.461 13.142 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.238 13.606 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.600 14.517 -3.183 1.00 0.00 H new ATOM 919 N GLU A 63 14.211 11.279 -4.163 1.00 0.00 N ATOM 920 CA GLU A 63 14.019 11.461 -5.591 1.00 0.00 C ATOM 921 C GLU A 63 13.832 12.945 -5.916 1.00 0.00 C ATOM 922 O GLU A 63 12.773 13.350 -6.393 1.00 0.00 O ATOM 923 CB GLU A 63 12.836 10.635 -6.097 1.00 0.00 C ATOM 924 CG GLU A 63 13.315 9.362 -6.797 1.00 0.00 C ATOM 925 CD GLU A 63 13.246 9.512 -8.318 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.913 10.392 -8.885 1.00 0.00 O ATOM 927 OE2 GLU A 63 12.466 8.677 -8.914 1.00 0.00 O ATOM 0 H GLU A 63 13.511 11.734 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 63 14.912 11.106 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.187 10.372 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.240 11.232 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.339 9.141 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.701 8.518 -6.483 1.00 0.00 H new ATOM 935 N GLY A 64 14.875 13.716 -5.643 1.00 0.00 N ATOM 936 CA GLY A 64 14.837 15.145 -5.900 1.00 0.00 C ATOM 937 C GLY A 64 13.959 15.864 -4.873 1.00 0.00 C ATOM 938 O GLY A 64 14.344 16.011 -3.715 1.00 0.00 O ATOM 0 H GLY A 64 15.752 13.377 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.848 15.551 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.453 15.328 -6.904 1.00 0.00 H new ATOM 942 N GLU A 65 12.792 16.291 -5.335 1.00 0.00 N ATOM 943 CA GLU A 65 11.857 16.990 -4.473 1.00 0.00 C ATOM 944 C GLU A 65 10.760 16.036 -3.995 1.00 0.00 C ATOM 945 O GLU A 65 9.864 16.435 -3.253 1.00 0.00 O ATOM 946 CB GLU A 65 11.254 18.203 -5.186 1.00 0.00 C ATOM 947 CG GLU A 65 10.449 19.067 -4.213 1.00 0.00 C ATOM 948 CD GLU A 65 11.091 20.446 -4.045 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.838 20.894 -4.926 1.00 0.00 O ATOM 950 OE2 GLU A 65 10.788 21.058 -2.949 1.00 0.00 O ATOM 0 H GLU A 65 12.474 16.165 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 65 12.401 17.355 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.049 18.798 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.610 17.868 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.428 19.179 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.388 18.570 -3.245 1.00 0.00 H new ATOM 958 N LEU A 66 10.866 14.794 -4.442 1.00 0.00 N ATOM 959 CA LEU A 66 9.895 13.778 -4.069 1.00 0.00 C ATOM 960 C LEU A 66 10.582 12.710 -3.217 1.00 0.00 C ATOM 961 O LEU A 66 11.776 12.806 -2.939 1.00 0.00 O ATOM 962 CB LEU A 66 9.201 13.219 -5.313 1.00 0.00 C ATOM 963 CG LEU A 66 8.354 14.213 -6.113 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.229 15.054 -7.043 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.235 13.494 -6.870 1.00 0.00 C ATOM 0 H LEU A 66 11.609 14.467 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 66 9.104 14.213 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.962 12.806 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.561 12.391 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 66 7.878 14.899 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.603 15.752 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.957 15.611 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.752 14.400 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.648 14.222 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.669 12.770 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.590 12.977 -6.160 1.00 0.00 H new ATOM 977 N ALA A 67 9.797 11.717 -2.824 1.00 0.00 N ATOM 978 CA ALA A 67 10.315 10.631 -2.009 1.00 0.00 C ATOM 979 C ALA A 67 9.829 9.296 -2.576 1.00 0.00 C ATOM 980 O ALA A 67 8.626 9.064 -2.685 1.00 0.00 O ATOM 981 CB ALA A 67 9.887 10.837 -0.553 1.00 0.00 C ATOM 0 H ALA A 67 8.806 11.642 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 67 11.405 10.621 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.275 10.023 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.282 11.785 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.799 10.850 -0.492 1.00 0.00 H new ATOM 987 N SER A 68 10.792 8.452 -2.921 1.00 0.00 N ATOM 988 CA SER A 68 10.476 7.146 -3.474 1.00 0.00 C ATOM 989 C SER A 68 10.693 6.062 -2.414 1.00 0.00 C ATOM 990 O SER A 68 11.803 5.894 -1.914 1.00 0.00 O ATOM 991 CB SER A 68 11.324 6.853 -4.713 1.00 0.00 C ATOM 992 OG SER A 68 10.921 5.652 -5.365 1.00 0.00 O ATOM 0 H SER A 68 11.789 8.647 -2.828 1.00 0.00 H new ATOM 0 HA SER A 68 9.428 7.147 -3.775 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.247 7.687 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.372 6.774 -4.424 1.00 0.00 H new ATOM 0 HG SER A 68 11.486 5.502 -6.152 1.00 0.00 H new ATOM 998 N THR A 69 9.615 5.356 -2.107 1.00 0.00 N ATOM 999 CA THR A 69 9.674 4.294 -1.117 1.00 0.00 C ATOM 1000 C THR A 69 9.213 2.970 -1.728 1.00 0.00 C ATOM 1001 O THR A 69 8.052 2.825 -2.102 1.00 0.00 O ATOM 1002 CB THR A 69 8.841 4.729 0.091 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.810 5.168 1.040 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.152 3.549 0.781 1.00 0.00 C ATOM 0 H THR A 69 8.696 5.498 -2.526 1.00 0.00 H new ATOM 0 HA THR A 69 10.696 4.122 -0.781 1.00 0.00 H new ATOM 0 HB THR A 69 8.091 5.453 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.638 6.104 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.574 3.912 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.486 3.053 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.904 2.841 1.129 1.00 0.00 H new ATOM 1012 N GLN A 70 10.149 2.036 -1.810 1.00 0.00 N ATOM 1013 CA GLN A 70 9.855 0.727 -2.368 1.00 0.00 C ATOM 1014 C GLN A 70 9.427 -0.239 -1.262 1.00 0.00 C ATOM 1015 O GLN A 70 10.125 -0.388 -0.259 1.00 0.00 O ATOM 1016 CB GLN A 70 11.055 0.179 -3.142 1.00 0.00 C ATOM 1017 CG GLN A 70 12.231 -0.102 -2.203 1.00 0.00 C ATOM 1018 CD GLN A 70 13.430 -0.654 -2.976 1.00 0.00 C ATOM 1019 OE1 GLN A 70 13.300 -1.239 -4.038 1.00 0.00 O ATOM 1020 NE2 GLN A 70 14.601 -0.438 -2.385 1.00 0.00 N ATOM 0 H GLN A 70 11.112 2.160 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 70 9.028 0.831 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.771 -0.737 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.358 0.895 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.517 0.815 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.927 -0.816 -1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.639 0.059 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.461 -0.769 -2.821 1.00 0.00 H new ATOM 1029 N SER A 71 8.283 -0.869 -1.481 1.00 0.00 N ATOM 1030 CA SER A 71 7.755 -1.817 -0.514 1.00 0.00 C ATOM 1031 C SER A 71 7.821 -3.235 -1.082 1.00 0.00 C ATOM 1032 O SER A 71 7.608 -3.441 -2.276 1.00 0.00 O ATOM 1033 CB SER A 71 6.315 -1.466 -0.129 1.00 0.00 C ATOM 1034 OG SER A 71 6.022 -0.089 -0.354 1.00 0.00 O ATOM 0 H SER A 71 7.707 -0.742 -2.313 1.00 0.00 H new ATOM 0 HA SER A 71 8.367 -1.764 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.625 -2.082 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.153 -1.704 0.922 1.00 0.00 H new ATOM 0 HG SER A 71 5.983 0.084 -1.318 1.00 0.00 H new ATOM 1040 N GLU A 72 8.119 -4.178 -0.199 1.00 0.00 N ATOM 1041 CA GLU A 72 8.217 -5.572 -0.598 1.00 0.00 C ATOM 1042 C GLU A 72 7.472 -6.463 0.398 1.00 0.00 C ATOM 1043 O GLU A 72 7.335 -6.109 1.570 1.00 0.00 O ATOM 1044 CB GLU A 72 9.678 -6.002 -0.732 1.00 0.00 C ATOM 1045 CG GLU A 72 10.601 -4.787 -0.839 1.00 0.00 C ATOM 1046 CD GLU A 72 12.020 -5.207 -1.225 1.00 0.00 C ATOM 1047 OE1 GLU A 72 12.212 -6.290 -1.797 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.943 -4.362 -0.911 1.00 0.00 O ATOM 0 H GLU A 72 8.296 -4.004 0.790 1.00 0.00 H new ATOM 0 HA GLU A 72 7.749 -5.684 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.964 -6.605 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.796 -6.631 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.209 -4.093 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.621 -4.257 0.113 1.00 0.00 H new ATOM 1056 N LEU A 73 7.012 -7.599 -0.102 1.00 0.00 N ATOM 1057 CA LEU A 73 6.284 -8.543 0.731 1.00 0.00 C ATOM 1058 C LEU A 73 6.812 -9.956 0.472 1.00 0.00 C ATOM 1059 O LEU A 73 7.076 -10.325 -0.673 1.00 0.00 O ATOM 1060 CB LEU A 73 4.778 -8.398 0.513 1.00 0.00 C ATOM 1061 CG LEU A 73 3.884 -9.239 1.429 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.429 -8.775 1.350 1.00 0.00 C ATOM 1063 CD2 LEU A 73 4.029 -10.731 1.117 1.00 0.00 C ATOM 0 H LEU A 73 7.128 -7.888 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 73 6.451 -8.329 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.512 -7.349 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.554 -8.660 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 73 4.213 -9.092 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.815 -9.388 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.363 -7.732 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.071 -8.874 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.384 -11.306 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.741 -10.916 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.065 -11.035 1.265 1.00 0.00 H new ATOM 1075 N THR A 74 6.948 -10.710 1.552 1.00 0.00 N ATOM 1076 CA THR A 74 7.438 -12.074 1.455 1.00 0.00 C ATOM 1077 C THR A 74 6.573 -13.012 2.298 1.00 0.00 C ATOM 1078 O THR A 74 6.538 -12.900 3.523 1.00 0.00 O ATOM 1079 CB THR A 74 8.913 -12.077 1.865 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.169 -10.729 2.251 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.850 -12.307 0.676 1.00 0.00 C ATOM 0 H THR A 74 6.727 -10.402 2.499 1.00 0.00 H new ATOM 0 HA THR A 74 7.368 -12.447 0.433 1.00 0.00 H new ATOM 0 HB THR A 74 9.080 -12.850 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.103 -10.641 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.884 -12.300 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.627 -13.271 0.218 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.707 -11.514 -0.058 1.00 0.00 H new ATOM 1089 N LEU A 75 5.896 -13.919 1.610 1.00 0.00 N ATOM 1090 CA LEU A 75 5.032 -14.877 2.280 1.00 0.00 C ATOM 1091 C LEU A 75 5.136 -16.232 1.576 1.00 0.00 C ATOM 1092 O LEU A 75 5.138 -16.299 0.349 1.00 0.00 O ATOM 1093 CB LEU A 75 3.602 -14.339 2.370 1.00 0.00 C ATOM 1094 CG LEU A 75 2.549 -15.098 1.560 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.944 -16.240 2.380 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.477 -14.145 1.027 1.00 0.00 C ATOM 0 H LEU A 75 5.928 -14.011 0.595 1.00 0.00 H new ATOM 0 HA LEU A 75 5.357 -15.027 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.299 -14.342 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.604 -13.299 2.042 1.00 0.00 H new ATOM 0 HG LEU A 75 3.040 -15.547 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.199 -16.763 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.731 -16.937 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.471 -15.835 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.741 -14.709 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.984 -13.648 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.942 -13.398 0.383 1.00 0.00 H new ATOM 1108 N SER A 76 5.222 -17.278 2.385 1.00 0.00 N ATOM 1109 CA SER A 76 5.326 -18.626 1.855 1.00 0.00 C ATOM 1110 C SER A 76 3.989 -19.056 1.250 1.00 0.00 C ATOM 1111 O SER A 76 2.958 -18.434 1.506 1.00 0.00 O ATOM 1112 CB SER A 76 5.759 -19.613 2.940 1.00 0.00 C ATOM 1113 OG SER A 76 7.139 -19.951 2.836 1.00 0.00 O ATOM 0 H SER A 76 5.222 -17.219 3.403 1.00 0.00 H new ATOM 0 HA SER A 76 6.087 -18.628 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.565 -19.180 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.158 -20.519 2.866 1.00 0.00 H new ATOM 0 HG SER A 76 7.376 -20.582 3.548 1.00 0.00 H new ATOM 1119 N GLN A 77 4.046 -20.117 0.459 1.00 0.00 N ATOM 1120 CA GLN A 77 2.852 -20.637 -0.184 1.00 0.00 C ATOM 1121 C GLN A 77 1.925 -21.273 0.853 1.00 0.00 C ATOM 1122 O GLN A 77 0.706 -21.125 0.774 1.00 0.00 O ATOM 1123 CB GLN A 77 3.213 -21.640 -1.284 1.00 0.00 C ATOM 1124 CG GLN A 77 2.324 -21.449 -2.513 1.00 0.00 C ATOM 1125 CD GLN A 77 2.114 -22.774 -3.250 1.00 0.00 C ATOM 1126 OE1 GLN A 77 2.732 -23.056 -4.262 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.210 -23.569 -2.684 1.00 0.00 N ATOM 0 H GLN A 77 4.902 -20.631 0.249 1.00 0.00 H new ATOM 0 HA GLN A 77 2.325 -19.806 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.259 -21.516 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.102 -22.656 -0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.360 -21.041 -2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.779 -20.723 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.728 -23.271 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.999 -24.477 -3.098 1.00 0.00 H new ATOM 1136 N LYS A 78 2.536 -21.968 1.800 1.00 0.00 N ATOM 1137 CA LYS A 78 1.781 -22.626 2.853 1.00 0.00 C ATOM 1138 C LYS A 78 0.836 -21.615 3.505 1.00 0.00 C ATOM 1139 O LYS A 78 -0.370 -21.847 3.581 1.00 0.00 O ATOM 1140 CB LYS A 78 2.724 -23.313 3.841 1.00 0.00 C ATOM 1141 CG LYS A 78 2.065 -24.546 4.462 1.00 0.00 C ATOM 1142 CD LYS A 78 2.993 -25.209 5.482 1.00 0.00 C ATOM 1143 CE LYS A 78 2.675 -26.698 5.626 1.00 0.00 C ATOM 1144 NZ LYS A 78 3.235 -27.228 6.889 1.00 0.00 N ATOM 0 H LYS A 78 3.547 -22.090 1.861 1.00 0.00 H new ATOM 0 HA LYS A 78 1.161 -23.420 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.641 -23.605 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.006 -22.612 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.132 -24.259 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.810 -25.260 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.030 -25.083 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.888 -24.716 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.596 -26.849 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.087 -27.247 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.010 -28.240 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.267 -27.102 6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.822 -26.715 7.694 1.00 0.00 H new ATOM 1158 N HIS A 79 1.418 -20.514 3.957 1.00 0.00 N ATOM 1159 CA HIS A 79 0.644 -19.468 4.601 1.00 0.00 C ATOM 1160 C HIS A 79 -0.413 -18.939 3.628 1.00 0.00 C ATOM 1161 O HIS A 79 -1.514 -18.579 4.038 1.00 0.00 O ATOM 1162 CB HIS A 79 1.559 -18.366 5.137 1.00 0.00 C ATOM 1163 CG HIS A 79 2.813 -18.880 5.802 1.00 0.00 C ATOM 1164 ND1 HIS A 79 4.072 -18.370 5.527 1.00 0.00 N ATOM 1165 CD2 HIS A 79 2.990 -19.859 6.735 1.00 0.00 C ATOM 1166 CE1 HIS A 79 4.957 -19.023 6.265 1.00 0.00 C ATOM 1167 NE2 HIS A 79 4.285 -19.946 7.012 1.00 0.00 N ATOM 0 H HIS A 79 2.418 -20.324 3.890 1.00 0.00 H new ATOM 0 HA HIS A 79 0.121 -19.878 5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.840 -17.708 4.314 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.002 -17.761 5.853 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.281 -17.620 4.869 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.209 -20.461 7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.024 -18.854 6.274 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.039 -18.911 2.358 1.00 0.00 N ATOM 1176 CA TRP A 80 -0.940 -18.434 1.322 1.00 0.00 C ATOM 1177 C TRP A 80 -2.157 -19.361 1.291 1.00 0.00 C ATOM 1178 O TRP A 80 -3.294 -18.897 1.201 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.226 -18.339 -0.026 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.144 -17.969 -1.193 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -1.854 -18.792 -1.978 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.426 -16.639 -1.678 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.569 -18.092 -2.929 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.300 -16.742 -2.740 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.957 -15.391 -1.234 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.781 -15.634 -3.447 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.447 -14.292 -1.951 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.328 -14.380 -3.022 1.00 0.00 C ATOM 0 H TRP A 80 0.876 -19.211 2.022 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.279 -17.422 1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.569 -17.596 0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.250 -19.295 -0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.865 -19.867 -1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.182 -18.492 -3.639 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.273 -15.287 -0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.465 -15.741 -4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.117 -13.308 -1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.662 -13.484 -3.524 1.00 0.00 H new ATOM 1199 N LEU A 81 -1.878 -20.652 1.366 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.936 -21.649 1.347 1.00 0.00 C ATOM 1201 C LEU A 81 -3.759 -21.538 2.632 1.00 0.00 C ATOM 1202 O LEU A 81 -4.910 -21.971 2.676 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.355 -23.046 1.109 1.00 0.00 C ATOM 1204 CG LEU A 81 -3.296 -24.063 0.465 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -3.117 -24.095 -1.053 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -3.117 -25.448 1.092 1.00 0.00 C ATOM 0 H LEU A 81 -0.935 -21.033 1.440 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.615 -21.465 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.472 -22.948 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.020 -23.446 2.066 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.321 -23.749 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.799 -24.827 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.334 -23.110 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.090 -24.371 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.798 -26.154 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.090 -25.782 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.336 -25.396 2.159 1.00 0.00 H new ATOM 1218 N SER A 82 -3.138 -20.955 3.646 1.00 0.00 N ATOM 1219 CA SER A 82 -3.797 -20.782 4.930 1.00 0.00 C ATOM 1220 C SER A 82 -4.834 -19.659 4.836 1.00 0.00 C ATOM 1221 O SER A 82 -5.628 -19.466 5.756 1.00 0.00 O ATOM 1222 CB SER A 82 -2.785 -20.478 6.034 1.00 0.00 C ATOM 1223 OG SER A 82 -3.141 -21.092 7.270 1.00 0.00 O ATOM 0 H SER A 82 -2.184 -20.596 3.605 1.00 0.00 H new ATOM 0 HA SER A 82 -4.300 -21.715 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.799 -20.826 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.713 -19.399 6.173 1.00 0.00 H new ATOM 0 HG SER A 82 -2.468 -20.875 7.949 1.00 0.00 H new ATOM 1229 N ASP A 83 -4.792 -18.950 3.718 1.00 0.00 N ATOM 1230 CA ASP A 83 -5.718 -17.853 3.492 1.00 0.00 C ATOM 1231 C ASP A 83 -5.135 -16.571 4.091 1.00 0.00 C ATOM 1232 O ASP A 83 -3.927 -16.466 4.288 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.064 -18.122 4.167 1.00 0.00 C ATOM 1234 CG ASP A 83 -7.208 -17.543 5.577 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.326 -17.350 6.076 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -6.095 -17.283 6.175 1.00 0.00 O ATOM 0 H ASP A 83 -4.131 -19.114 2.958 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.868 -17.752 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.856 -17.713 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.220 -19.200 4.215 1.00 0.00 H new ATOM 1242 N ARG A 84 -6.025 -15.627 4.364 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.615 -14.356 4.936 1.00 0.00 C ATOM 1244 C ARG A 84 -5.553 -13.281 3.848 1.00 0.00 C ATOM 1245 O ARG A 84 -5.623 -13.589 2.660 1.00 0.00 O ATOM 1246 CB ARG A 84 -4.247 -14.470 5.611 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.123 -14.111 4.635 1.00 0.00 C ATOM 1248 CD ARG A 84 -1.770 -14.604 5.153 1.00 0.00 C ATOM 1249 NE ARG A 84 -1.892 -15.992 5.651 1.00 0.00 N ATOM 1250 CZ ARG A 84 -1.070 -16.543 6.567 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -0.056 -15.826 7.097 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -1.271 -17.793 6.939 1.00 0.00 N ATOM 0 H ARG A 84 -7.028 -15.717 4.200 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.354 -14.076 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.208 -13.808 6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.103 -15.485 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.327 -14.555 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.091 -13.031 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.028 -14.559 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.418 -13.952 5.953 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.646 -16.569 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.093 -14.860 6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.561 -16.250 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.039 -18.328 6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.658 -18.224 7.631 1.00 0.00 H new ATOM 1266 N THR A 85 -5.418 -12.040 4.294 1.00 0.00 N ATOM 1267 CA THR A 85 -5.344 -10.918 3.375 1.00 0.00 C ATOM 1268 C THR A 85 -4.036 -10.148 3.577 1.00 0.00 C ATOM 1269 O THR A 85 -3.834 -9.523 4.615 1.00 0.00 O ATOM 1270 CB THR A 85 -6.592 -10.057 3.578 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.662 -10.889 3.138 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.637 -8.857 2.629 1.00 0.00 C ATOM 0 H THR A 85 -5.358 -11.788 5.280 1.00 0.00 H new ATOM 0 HA THR A 85 -5.329 -11.256 2.339 1.00 0.00 H new ATOM 0 HB THR A 85 -6.627 -9.705 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.511 -10.410 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.543 -8.280 2.815 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.764 -8.227 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.637 -9.209 1.597 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.184 -10.221 2.565 1.00 0.00 N ATOM 1281 CA TYR A 86 -1.901 -9.540 2.617 1.00 0.00 C ATOM 1282 C TYR A 86 -1.932 -8.248 1.798 1.00 0.00 C ATOM 1283 O TYR A 86 -1.681 -8.268 0.595 1.00 0.00 O ATOM 1284 CB TYR A 86 -0.886 -10.501 1.995 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.498 -11.811 1.495 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.240 -11.827 0.332 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.306 -12.979 2.206 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -2.815 -13.060 -0.139 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.879 -14.211 1.735 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.607 -14.192 0.586 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.149 -15.356 0.142 1.00 0.00 O ATOM 0 H TYR A 86 -3.357 -10.741 1.705 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.649 -9.275 3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.391 -10.002 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.117 -10.729 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.390 -10.914 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.725 -12.967 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.398 -13.086 -1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.735 -15.131 2.282 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.869 -15.515 -0.784 1.00 0.00 H new ATOM 1301 N THR A 87 -2.245 -7.157 2.482 1.00 0.00 N ATOM 1302 CA THR A 87 -2.311 -5.860 1.832 1.00 0.00 C ATOM 1303 C THR A 87 -1.202 -4.944 2.353 1.00 0.00 C ATOM 1304 O THR A 87 -0.909 -4.934 3.546 1.00 0.00 O ATOM 1305 CB THR A 87 -3.717 -5.294 2.049 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.544 -6.450 2.156 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.252 -4.566 0.815 1.00 0.00 C ATOM 0 H THR A 87 -2.456 -7.145 3.480 1.00 0.00 H new ATOM 0 HA THR A 87 -2.140 -5.947 0.759 1.00 0.00 H new ATOM 0 HB THR A 87 -3.706 -4.610 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.486 -6.181 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.252 -4.184 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.591 -3.736 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.295 -5.258 -0.026 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.613 -4.198 1.429 1.00 0.00 N ATOM 1316 CA CYS A 88 0.459 -3.281 1.780 1.00 0.00 C ATOM 1317 C CYS A 88 -0.162 -1.924 2.120 1.00 0.00 C ATOM 1318 O CYS A 88 -0.573 -1.185 1.227 1.00 0.00 O ATOM 1319 CB CYS A 88 1.496 -3.170 0.660 1.00 0.00 C ATOM 1320 SG CYS A 88 0.844 -2.544 -0.932 1.00 0.00 S ATOM 0 H CYS A 88 -0.858 -4.210 0.439 1.00 0.00 H new ATOM 0 HA CYS A 88 0.997 -3.661 2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.299 -2.512 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.938 -4.153 0.494 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.212 -1.640 3.413 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.774 -0.386 3.882 1.00 0.00 C ATOM 1327 C GLN A 89 0.328 0.663 4.046 1.00 0.00 C ATOM 1328 O GLN A 89 1.118 0.597 4.984 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.540 -0.584 5.192 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.320 0.677 5.568 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.170 0.992 7.058 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -1.186 0.650 7.695 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.197 1.659 7.576 1.00 0.00 N ATOM 0 H GLN A 89 0.128 -2.257 4.150 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.482 -0.027 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.227 -1.424 5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.842 -0.836 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.962 1.520 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.374 0.542 5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.989 1.914 6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.193 1.916 8.563 1.00 0.00 H new ATOM 1342 N VAL A 90 0.343 1.608 3.116 1.00 0.00 N ATOM 1343 CA VAL A 90 1.335 2.669 3.146 1.00 0.00 C ATOM 1344 C VAL A 90 0.736 3.904 3.823 1.00 0.00 C ATOM 1345 O VAL A 90 -0.383 4.307 3.508 1.00 0.00 O ATOM 1346 CB VAL A 90 1.841 2.952 1.729 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.403 4.371 1.622 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.883 1.915 1.304 1.00 0.00 C ATOM 0 H VAL A 90 -0.315 1.660 2.339 1.00 0.00 H new ATOM 0 HA VAL A 90 2.201 2.364 3.733 1.00 0.00 H new ATOM 0 HB VAL A 90 0.994 2.875 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.756 4.547 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.622 5.091 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.233 4.487 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.227 2.138 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.729 1.947 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.436 0.921 1.324 1.00 0.00 H new ATOM 1358 N THR A 91 1.506 4.470 4.739 1.00 0.00 N ATOM 1359 CA THR A 91 1.066 5.651 5.463 1.00 0.00 C ATOM 1360 C THR A 91 1.765 6.899 4.922 1.00 0.00 C ATOM 1361 O THR A 91 2.772 6.798 4.227 1.00 0.00 O ATOM 1362 CB THR A 91 1.315 5.411 6.955 1.00 0.00 C ATOM 1363 OG1 THR A 91 0.020 5.134 7.482 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.752 6.681 7.684 1.00 0.00 C ATOM 0 H THR A 91 2.433 4.133 4.997 1.00 0.00 H new ATOM 0 HA THR A 91 -0.000 5.828 5.322 1.00 0.00 H new ATOM 0 HB THR A 91 2.077 4.641 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.088 4.964 8.445 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.916 6.457 8.738 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.677 7.053 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.975 7.440 7.590 1.00 0.00 H new ATOM 1372 N TYR A 92 1.202 8.048 5.265 1.00 0.00 N ATOM 1373 CA TYR A 92 1.756 9.317 4.823 1.00 0.00 C ATOM 1374 C TYR A 92 1.691 10.362 5.937 1.00 0.00 C ATOM 1375 O TYR A 92 0.894 10.236 6.867 1.00 0.00 O ATOM 1376 CB TYR A 92 0.883 9.776 3.656 1.00 0.00 C ATOM 1377 CG TYR A 92 1.055 8.945 2.383 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.591 7.646 2.341 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.674 9.493 1.278 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.753 6.862 1.143 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.837 8.711 0.082 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.368 7.433 0.073 1.00 0.00 C ATOM 1383 OH TYR A 92 1.521 6.695 -1.060 1.00 0.00 O ATOM 0 H TYR A 92 0.367 8.127 5.845 1.00 0.00 H new ATOM 0 HA TYR A 92 2.802 9.200 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.163 9.740 3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.114 10.817 3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.107 7.217 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.036 10.510 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.394 5.844 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.320 9.128 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 92 2.162 7.138 -1.655 1.00 0.00 H new ATOM 1393 N GLN A 93 2.537 11.373 5.809 1.00 0.00 N ATOM 1394 CA GLN A 93 2.586 12.439 6.794 1.00 0.00 C ATOM 1395 C GLN A 93 1.172 12.916 7.129 1.00 0.00 C ATOM 1396 O GLN A 93 0.922 13.409 8.228 1.00 0.00 O ATOM 1397 CB GLN A 93 3.454 13.601 6.302 1.00 0.00 C ATOM 1398 CG GLN A 93 4.647 13.088 5.492 1.00 0.00 C ATOM 1399 CD GLN A 93 5.892 13.940 5.752 1.00 0.00 C ATOM 1400 OE1 GLN A 93 5.989 15.084 5.341 1.00 0.00 O ATOM 1401 NE2 GLN A 93 6.835 13.319 6.454 1.00 0.00 N ATOM 0 H GLN A 93 3.195 11.476 5.037 1.00 0.00 H new ATOM 0 HA GLN A 93 3.042 12.047 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.855 14.273 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.810 14.180 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.851 12.050 5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.405 13.106 4.429 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.689 12.359 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.705 13.802 6.679 1.00 0.00 H new ATOM 1410 N GLY A 94 0.282 12.753 6.162 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.102 13.160 6.339 1.00 0.00 C ATOM 1412 C GLY A 94 -2.025 12.399 5.386 1.00 0.00 C ATOM 1413 O GLY A 94 -2.999 12.957 4.882 1.00 0.00 O ATOM 0 H GLY A 94 0.492 12.344 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.409 12.979 7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.195 14.232 6.162 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.685 11.137 5.167 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.473 10.294 4.282 1.00 0.00 C ATOM 1419 C HIS A 95 -2.202 8.822 4.603 1.00 0.00 C ATOM 1420 O HIS A 95 -1.306 8.507 5.384 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.202 10.641 2.818 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.406 10.495 1.918 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -4.494 11.348 1.976 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.681 9.587 0.938 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -5.378 10.963 1.070 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.874 9.871 0.427 1.00 0.00 N ATOM 0 H HIS A 95 -0.876 10.678 5.586 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.535 10.478 4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.840 11.668 2.760 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.403 10.000 2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.038 8.775 0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.331 11.431 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.337 9.357 -0.323 1.00 0.00 H new ATOM 1434 N THR A 96 -2.997 7.961 3.984 1.00 0.00 N ATOM 1435 CA THR A 96 -2.856 6.530 4.194 1.00 0.00 C ATOM 1436 C THR A 96 -3.540 5.755 3.066 1.00 0.00 C ATOM 1437 O THR A 96 -4.381 6.302 2.353 1.00 0.00 O ATOM 1438 CB THR A 96 -3.410 6.197 5.581 1.00 0.00 C ATOM 1439 OG1 THR A 96 -2.953 4.871 5.829 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.935 6.072 5.588 1.00 0.00 C ATOM 0 H THR A 96 -3.740 8.227 3.338 1.00 0.00 H new ATOM 0 HA THR A 96 -1.809 6.229 4.166 1.00 0.00 H new ATOM 0 HB THR A 96 -3.105 6.969 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.266 4.576 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.276 5.835 6.596 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.379 7.014 5.267 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.238 5.277 4.906 1.00 0.00 H new ATOM 1448 N PHE A 97 -3.153 4.494 2.938 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.718 3.638 1.907 1.00 0.00 C ATOM 1450 C PHE A 97 -3.308 2.181 2.120 1.00 0.00 C ATOM 1451 O PHE A 97 -2.368 1.898 2.860 1.00 0.00 O ATOM 1452 CB PHE A 97 -3.159 4.125 0.567 1.00 0.00 C ATOM 1453 CG PHE A 97 -2.586 3.008 -0.308 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -1.437 2.379 0.058 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -3.226 2.644 -1.453 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -0.905 1.344 -0.754 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -2.693 1.609 -2.266 1.00 0.00 C ATOM 1458 CZ PHE A 97 -1.545 0.981 -1.900 1.00 0.00 C ATOM 0 H PHE A 97 -2.455 4.044 3.531 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.806 3.688 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.951 4.634 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.378 4.862 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.929 2.667 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.139 3.142 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.007 0.844 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.200 1.321 -3.175 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.140 0.194 -2.518 1.00 0.00 H new ATOM 1468 N GLU A 98 -4.033 1.292 1.455 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.755 -0.130 1.562 1.00 0.00 C ATOM 1470 C GLU A 98 -4.264 -0.864 0.318 1.00 0.00 C ATOM 1471 O GLU A 98 -5.432 -0.736 -0.047 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.372 -0.714 2.833 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.715 -2.047 3.197 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.235 -2.565 4.541 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.502 -3.769 4.678 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -4.357 -1.670 5.460 1.00 0.00 O ATOM 0 H GLU A 98 -4.812 1.529 0.841 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.675 -0.267 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.254 -0.009 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.443 -0.859 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.917 -2.781 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.633 -1.922 3.245 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.362 -1.616 -0.294 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.705 -2.371 -1.489 1.00 0.00 C ATOM 1486 C ASP A 99 -2.738 -3.547 -1.638 1.00 0.00 C ATOM 1487 O ASP A 99 -1.529 -3.384 -1.491 1.00 0.00 O ATOM 1488 CB ASP A 99 -3.588 -1.502 -2.741 1.00 0.00 C ATOM 1489 CG ASP A 99 -4.776 -0.571 -2.997 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -5.510 -0.728 -3.984 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -4.937 0.359 -2.118 1.00 0.00 O ATOM 0 H ASP A 99 -2.395 -1.719 0.014 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.733 -2.718 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.684 -0.899 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.463 -2.153 -3.606 1.00 0.00 H new ATOM 1497 N SER A 100 -3.310 -4.708 -1.925 1.00 0.00 N ATOM 1498 CA SER A 100 -2.514 -5.912 -2.095 1.00 0.00 C ATOM 1499 C SER A 100 -3.392 -7.049 -2.622 1.00 0.00 C ATOM 1500 O SER A 100 -4.206 -6.844 -3.520 1.00 0.00 O ATOM 1501 CB SER A 100 -1.847 -6.322 -0.781 1.00 0.00 C ATOM 1502 OG SER A 100 -0.698 -7.135 -0.996 1.00 0.00 O ATOM 0 H SER A 100 -4.314 -4.840 -2.044 1.00 0.00 H new ATOM 0 HA SER A 100 -1.727 -5.702 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.560 -5.429 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.564 -6.864 -0.164 1.00 0.00 H new ATOM 0 HG SER A 100 -0.697 -7.876 -0.355 1.00 0.00 H new ATOM 1508 N THR A 101 -3.196 -8.224 -2.041 1.00 0.00 N ATOM 1509 CA THR A 101 -3.958 -9.393 -2.442 1.00 0.00 C ATOM 1510 C THR A 101 -4.476 -10.140 -1.210 1.00 0.00 C ATOM 1511 O THR A 101 -4.204 -9.741 -0.080 1.00 0.00 O ATOM 1512 CB THR A 101 -3.069 -10.252 -3.344 1.00 0.00 C ATOM 1513 OG1 THR A 101 -3.912 -11.333 -3.732 1.00 0.00 O ATOM 1514 CG2 THR A 101 -1.932 -10.925 -2.574 1.00 0.00 C ATOM 0 H THR A 101 -2.520 -8.391 -1.296 1.00 0.00 H new ATOM 0 HA THR A 101 -4.845 -9.111 -3.010 1.00 0.00 H new ATOM 0 HB THR A 101 -2.653 -9.634 -4.140 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.475 -11.850 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.332 -11.522 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.305 -10.163 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.348 -11.570 -1.800 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.212 -11.208 -1.472 1.00 0.00 N ATOM 1523 CA LYS A 102 -5.770 -12.014 -0.398 1.00 0.00 C ATOM 1524 C LYS A 102 -6.373 -13.293 -0.987 1.00 0.00 C ATOM 1525 O LYS A 102 -6.666 -13.353 -2.180 1.00 0.00 O ATOM 1526 CB LYS A 102 -6.760 -11.192 0.428 1.00 0.00 C ATOM 1527 CG LYS A 102 -7.984 -10.809 -0.404 1.00 0.00 C ATOM 1528 CD LYS A 102 -8.117 -9.288 -0.518 1.00 0.00 C ATOM 1529 CE LYS A 102 -8.694 -8.889 -1.880 1.00 0.00 C ATOM 1530 NZ LYS A 102 -8.866 -7.421 -1.957 1.00 0.00 N ATOM 0 H LYS A 102 -5.436 -11.535 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.987 -12.320 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.074 -11.765 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.271 -10.291 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.903 -11.246 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.883 -11.223 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.762 -8.915 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.141 -8.823 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.030 -9.226 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.653 -9.383 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.258 -7.166 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.517 -7.108 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.944 -6.956 -1.831 1.00 0.00 H new