USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 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 432 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 433 THR OG1 : rot -170:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -128:sc= 0.112 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.744 K(o=-0.74,f=-1.2) USER MOD Single : A 428 THR OG1 : rot -50:sc= 0.479 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 434 LYS NZ :NH3+ 144:sc= 0.274 (180deg=-0.22) USER MOD Single : A 438 LYS NZ :NH3+ 170:sc= -0.028 (180deg=-0.158) USER MOD Single : A 441 THR OG1 : rot -111:sc= 1.23 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot -36:sc= 1.25 USER MOD Single : A 450 MET CE :methyl -179:sc= -0.0245 (180deg=-0.0253) USER MOD Single : A 451 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-4.7!) USER MOD Single : A 452 MET CE :methyl -125:sc= -2.85! (180deg=-5.57!) USER MOD Single : A 455 THR OG1 : rot 7:sc= 1.14 USER MOD Single : A 468 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 476 MET CE :methyl -165:sc= -0.0735 (180deg=-0.37) USER MOD Single : A 479 HIS : no HD1:sc= -9.45! C(o=-8.8!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 13.942 -17.599 -5.967 1.00 0.00 N ATOM 2 CA GLY A -1 14.809 -18.602 -6.617 1.00 0.00 C ATOM 3 C GLY A -1 15.950 -17.949 -7.354 1.00 0.00 C ATOM 4 O GLY A -1 16.113 -16.733 -7.286 1.00 0.00 O ATOM 0 H1 GLY A -1 13.820 -17.843 -4.963 1.00 0.00 H new ATOM 0 H2 GLY A -1 14.380 -16.659 -6.044 1.00 0.00 H new ATOM 0 H3 GLY A -1 13.013 -17.587 -6.435 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.203 -19.286 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.219 -19.199 -7.312 1.00 0.00 H new ATOM 10 N SER A 0 16.737 -18.746 -8.058 1.00 0.00 N ATOM 11 CA SER A 0 17.873 -18.237 -8.802 1.00 0.00 C ATOM 12 C SER A 0 17.412 -17.512 -10.064 1.00 0.00 C ATOM 13 O SER A 0 17.208 -18.130 -11.118 1.00 0.00 O ATOM 14 CB SER A 0 18.817 -19.382 -9.161 1.00 0.00 C ATOM 15 OG SER A 0 19.174 -20.123 -8.005 1.00 0.00 O ATOM 0 H SER A 0 16.607 -19.755 -8.129 1.00 0.00 H new ATOM 0 HA SER A 0 18.406 -17.522 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 0 18.338 -20.040 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 0 19.714 -18.984 -9.635 1.00 0.00 H new ATOM 0 HG SER A 0 19.778 -20.853 -8.258 1.00 0.00 H new ATOM 21 N ALA A 417 17.230 -16.215 -9.952 1.00 0.00 N ATOM 22 CA ALA A 417 16.790 -15.412 -11.066 1.00 0.00 C ATOM 23 C ALA A 417 17.851 -14.401 -11.453 1.00 0.00 C ATOM 24 O ALA A 417 17.886 -13.287 -10.932 1.00 0.00 O ATOM 25 CB ALA A 417 15.472 -14.718 -10.744 1.00 0.00 C ATOM 0 H ALA A 417 17.382 -15.691 -9.090 1.00 0.00 H new ATOM 0 HA ALA A 417 16.626 -16.073 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 417 15.159 -14.118 -11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 417 14.710 -15.467 -10.528 1.00 0.00 H new ATOM 0 HB3 ALA A 417 15.603 -14.073 -9.876 1.00 0.00 H new ATOM 31 N GLU A 418 18.737 -14.806 -12.340 1.00 0.00 N ATOM 32 CA GLU A 418 19.787 -13.932 -12.814 1.00 0.00 C ATOM 33 C GLU A 418 19.482 -13.494 -14.236 1.00 0.00 C ATOM 34 O GLU A 418 19.552 -14.297 -15.175 1.00 0.00 O ATOM 35 CB GLU A 418 21.151 -14.625 -12.745 1.00 0.00 C ATOM 36 CG GLU A 418 22.311 -13.729 -13.158 1.00 0.00 C ATOM 37 CD GLU A 418 23.644 -14.441 -13.111 1.00 0.00 C ATOM 38 OE1 GLU A 418 23.897 -15.292 -13.988 1.00 0.00 O ATOM 39 OE2 GLU A 418 24.457 -14.142 -12.206 1.00 0.00 O ATOM 0 H GLU A 418 18.749 -15.741 -12.748 1.00 0.00 H new ATOM 0 HA GLU A 418 19.828 -13.054 -12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 418 21.319 -14.977 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 418 21.135 -15.505 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 418 22.137 -13.359 -14.168 1.00 0.00 H new ATOM 0 HG3 GLU A 418 22.345 -12.860 -12.501 1.00 0.00 H new ATOM 46 N ALA A 419 19.116 -12.241 -14.388 1.00 0.00 N ATOM 47 CA ALA A 419 18.769 -11.699 -15.688 1.00 0.00 C ATOM 48 C ALA A 419 19.532 -10.417 -15.967 1.00 0.00 C ATOM 49 O ALA A 419 19.300 -9.751 -16.977 1.00 0.00 O ATOM 50 CB ALA A 419 17.273 -11.444 -15.758 1.00 0.00 C ATOM 0 H ALA A 419 19.050 -11.571 -13.622 1.00 0.00 H new ATOM 0 HA ALA A 419 19.046 -12.429 -16.449 1.00 0.00 H new ATOM 0 HB1 ALA A 419 17.019 -11.037 -16.737 1.00 0.00 H new ATOM 0 HB2 ALA A 419 16.737 -12.380 -15.604 1.00 0.00 H new ATOM 0 HB3 ALA A 419 16.989 -10.731 -14.984 1.00 0.00 H new ATOM 56 N ARG A 420 20.442 -10.075 -15.073 1.00 0.00 N ATOM 57 CA ARG A 420 21.228 -8.867 -15.210 1.00 0.00 C ATOM 58 C ARG A 420 22.500 -8.986 -14.380 1.00 0.00 C ATOM 59 O ARG A 420 22.583 -9.847 -13.501 1.00 0.00 O ATOM 60 CB ARG A 420 20.396 -7.656 -14.768 1.00 0.00 C ATOM 61 CG ARG A 420 20.995 -6.309 -15.136 1.00 0.00 C ATOM 62 CD ARG A 420 19.966 -5.203 -15.008 1.00 0.00 C ATOM 63 NE ARG A 420 18.783 -5.468 -15.834 1.00 0.00 N ATOM 64 CZ ARG A 420 17.835 -4.578 -16.107 1.00 0.00 C ATOM 65 NH1 ARG A 420 17.929 -3.334 -15.650 1.00 0.00 N ATOM 66 NH2 ARG A 420 16.795 -4.933 -16.852 1.00 0.00 N ATOM 0 H ARG A 420 20.654 -10.623 -14.239 1.00 0.00 H new ATOM 0 HA ARG A 420 21.510 -8.728 -16.254 1.00 0.00 H new ATOM 0 HB2 ARG A 420 19.404 -7.731 -15.213 1.00 0.00 H new ATOM 0 HB3 ARG A 420 20.264 -7.697 -13.687 1.00 0.00 H new ATOM 0 HG2 ARG A 420 21.845 -6.096 -14.488 1.00 0.00 H new ATOM 0 HG3 ARG A 420 21.373 -6.342 -16.158 1.00 0.00 H new ATOM 0 HD2 ARG A 420 19.667 -5.102 -13.965 1.00 0.00 H new ATOM 0 HD3 ARG A 420 20.412 -4.254 -15.305 1.00 0.00 H new ATOM 0 HE ARG A 420 18.681 -6.404 -16.227 1.00 0.00 H new ATOM 0 HH11 ARG A 420 18.732 -3.057 -15.086 1.00 0.00 H new ATOM 0 HH12 ARG A 420 17.198 -2.656 -15.863 1.00 0.00 H new ATOM 0 HH21 ARG A 420 16.727 -5.885 -17.212 1.00 0.00 H new ATOM 0 HH22 ARG A 420 16.064 -4.254 -17.065 1.00 0.00 H new ATOM 80 N TRP A 421 23.490 -8.134 -14.676 1.00 0.00 N ATOM 81 CA TRP A 421 24.780 -8.140 -13.977 1.00 0.00 C ATOM 82 C TRP A 421 25.569 -9.396 -14.302 1.00 0.00 C ATOM 83 O TRP A 421 26.381 -9.872 -13.503 1.00 0.00 O ATOM 84 CB TRP A 421 24.602 -7.978 -12.463 1.00 0.00 C ATOM 85 CG TRP A 421 24.137 -6.614 -12.068 1.00 0.00 C ATOM 86 CD1 TRP A 421 22.855 -6.219 -11.825 1.00 0.00 C ATOM 87 CD2 TRP A 421 24.956 -5.455 -11.877 1.00 0.00 C ATOM 88 NE1 TRP A 421 22.828 -4.888 -11.496 1.00 0.00 N ATOM 89 CE2 TRP A 421 24.105 -4.397 -11.518 1.00 0.00 C ATOM 90 CE3 TRP A 421 26.331 -5.214 -11.972 1.00 0.00 C ATOM 91 CZ2 TRP A 421 24.579 -3.116 -11.256 1.00 0.00 C ATOM 92 CZ3 TRP A 421 26.800 -3.942 -11.713 1.00 0.00 C ATOM 93 CH2 TRP A 421 25.927 -2.908 -11.357 1.00 0.00 C ATOM 0 H TRP A 421 23.419 -7.424 -15.404 1.00 0.00 H new ATOM 0 HA TRP A 421 25.349 -7.281 -14.333 1.00 0.00 H new ATOM 0 HB2 TRP A 421 23.884 -8.717 -12.107 1.00 0.00 H new ATOM 0 HB3 TRP A 421 25.550 -8.190 -11.967 1.00 0.00 H new ATOM 0 HD1 TRP A 421 21.988 -6.860 -11.883 1.00 0.00 H new ATOM 0 HE1 TRP A 421 21.991 -4.351 -11.271 1.00 0.00 H new ATOM 0 HE3 TRP A 421 27.012 -6.008 -12.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 23.908 -2.315 -10.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 27.859 -3.741 -11.786 1.00 0.00 H new ATOM 0 HH2 TRP A 421 26.326 -1.925 -11.158 1.00 0.00 H new ATOM 104 N ASP A 422 25.348 -9.909 -15.502 1.00 0.00 N ATOM 105 CA ASP A 422 26.037 -11.100 -15.978 1.00 0.00 C ATOM 106 C ASP A 422 27.316 -10.702 -16.699 1.00 0.00 C ATOM 107 O ASP A 422 27.998 -11.533 -17.298 1.00 0.00 O ATOM 108 CB ASP A 422 25.132 -11.900 -16.924 1.00 0.00 C ATOM 109 CG ASP A 422 24.926 -11.215 -18.265 1.00 0.00 C ATOM 110 OD1 ASP A 422 24.575 -10.012 -18.281 1.00 0.00 O ATOM 111 OD2 ASP A 422 25.096 -11.876 -19.308 1.00 0.00 O ATOM 0 H ASP A 422 24.688 -9.514 -16.172 1.00 0.00 H new ATOM 0 HA ASP A 422 26.286 -11.726 -15.121 1.00 0.00 H new ATOM 0 HB2 ASP A 422 25.567 -12.886 -17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 422 24.164 -12.055 -16.448 1.00 0.00 H new ATOM 116 N GLU A 423 27.635 -9.429 -16.628 1.00 0.00 N ATOM 117 CA GLU A 423 28.813 -8.890 -17.269 1.00 0.00 C ATOM 118 C GLU A 423 29.844 -8.487 -16.217 1.00 0.00 C ATOM 119 O GLU A 423 29.507 -8.292 -15.048 1.00 0.00 O ATOM 120 CB GLU A 423 28.422 -7.680 -18.135 1.00 0.00 C ATOM 121 CG GLU A 423 29.565 -7.080 -18.941 1.00 0.00 C ATOM 122 CD GLU A 423 30.241 -8.096 -19.829 1.00 0.00 C ATOM 123 OE1 GLU A 423 29.786 -8.289 -20.971 1.00 0.00 O ATOM 124 OE2 GLU A 423 31.240 -8.699 -19.392 1.00 0.00 O ATOM 0 H GLU A 423 27.083 -8.736 -16.122 1.00 0.00 H new ATOM 0 HA GLU A 423 29.256 -9.652 -17.910 1.00 0.00 H new ATOM 0 HB2 GLU A 423 27.631 -7.982 -18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 423 28.006 -6.907 -17.489 1.00 0.00 H new ATOM 0 HG2 GLU A 423 29.184 -6.263 -19.554 1.00 0.00 H new ATOM 0 HG3 GLU A 423 30.300 -6.651 -18.260 1.00 0.00 H new ATOM 131 N ALA A 424 31.089 -8.390 -16.633 1.00 0.00 N ATOM 132 CA ALA A 424 32.160 -7.982 -15.755 1.00 0.00 C ATOM 133 C ALA A 424 32.816 -6.721 -16.293 1.00 0.00 C ATOM 134 O ALA A 424 33.230 -6.675 -17.453 1.00 0.00 O ATOM 135 CB ALA A 424 33.181 -9.099 -15.614 1.00 0.00 C ATOM 0 H ALA A 424 31.385 -8.592 -17.588 1.00 0.00 H new ATOM 0 HA ALA A 424 31.750 -7.769 -14.768 1.00 0.00 H new ATOM 0 HB1 ALA A 424 33.983 -8.777 -14.949 1.00 0.00 H new ATOM 0 HB2 ALA A 424 32.698 -9.983 -15.198 1.00 0.00 H new ATOM 0 HB3 ALA A 424 33.596 -9.339 -16.593 1.00 0.00 H new ATOM 141 N SER A 425 32.894 -5.698 -15.464 1.00 0.00 N ATOM 142 CA SER A 425 33.485 -4.435 -15.871 1.00 0.00 C ATOM 143 C SER A 425 35.013 -4.519 -15.885 1.00 0.00 C ATOM 144 O SER A 425 35.673 -3.851 -16.684 1.00 0.00 O ATOM 145 CB SER A 425 33.021 -3.313 -14.941 1.00 0.00 C ATOM 146 OG SER A 425 31.601 -3.233 -14.910 1.00 0.00 O ATOM 0 H SER A 425 32.555 -5.716 -14.502 1.00 0.00 H new ATOM 0 HA SER A 425 33.152 -4.215 -16.885 1.00 0.00 H new ATOM 0 HB2 SER A 425 33.401 -3.489 -13.935 1.00 0.00 H new ATOM 0 HB3 SER A 425 33.435 -2.362 -15.277 1.00 0.00 H new ATOM 0 HG SER A 425 31.327 -2.510 -14.308 1.00 0.00 H new ATOM 152 N ASN A 426 35.569 -5.340 -15.007 1.00 0.00 N ATOM 153 CA ASN A 426 37.013 -5.499 -14.926 1.00 0.00 C ATOM 154 C ASN A 426 37.394 -6.802 -14.235 1.00 0.00 C ATOM 155 O ASN A 426 36.969 -7.070 -13.111 1.00 0.00 O ATOM 156 CB ASN A 426 37.667 -4.292 -14.212 1.00 0.00 C ATOM 157 CG ASN A 426 37.126 -4.037 -12.809 1.00 0.00 C ATOM 158 OD1 ASN A 426 36.133 -3.324 -12.632 1.00 0.00 O ATOM 159 ND2 ASN A 426 37.782 -4.593 -11.811 1.00 0.00 N ATOM 0 H ASN A 426 35.043 -5.906 -14.341 1.00 0.00 H new ATOM 0 HA ASN A 426 37.393 -5.539 -15.947 1.00 0.00 H new ATOM 0 HB2 ASN A 426 38.743 -4.457 -14.152 1.00 0.00 H new ATOM 0 HB3 ASN A 426 37.515 -3.398 -14.817 1.00 0.00 H new ATOM 0 HD21 ASN A 426 37.474 -4.441 -10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 426 38.598 -5.176 -11.999 1.00 0.00 H new ATOM 166 N VAL A 427 38.164 -7.631 -14.929 1.00 0.00 N ATOM 167 CA VAL A 427 38.662 -8.877 -14.347 1.00 0.00 C ATOM 168 C VAL A 427 40.171 -9.006 -14.538 1.00 0.00 C ATOM 169 O VAL A 427 40.776 -9.996 -14.125 1.00 0.00 O ATOM 170 CB VAL A 427 37.966 -10.136 -14.933 1.00 0.00 C ATOM 171 CG1 VAL A 427 36.490 -10.154 -14.579 1.00 0.00 C ATOM 172 CG2 VAL A 427 38.155 -10.216 -16.439 1.00 0.00 C ATOM 0 H VAL A 427 38.458 -7.467 -15.892 1.00 0.00 H new ATOM 0 HA VAL A 427 38.426 -8.826 -13.284 1.00 0.00 H new ATOM 0 HB VAL A 427 38.436 -11.012 -14.486 1.00 0.00 H new ATOM 0 HG11 VAL A 427 36.026 -11.045 -15.001 1.00 0.00 H new ATOM 0 HG12 VAL A 427 36.376 -10.164 -13.495 1.00 0.00 H new ATOM 0 HG13 VAL A 427 36.007 -9.266 -14.987 1.00 0.00 H new ATOM 0 HG21 VAL A 427 37.657 -11.107 -16.821 1.00 0.00 H new ATOM 0 HG22 VAL A 427 37.725 -9.331 -16.907 1.00 0.00 H new ATOM 0 HG23 VAL A 427 39.219 -10.267 -16.670 1.00 0.00 H new ATOM 182 N THR A 428 40.776 -8.005 -15.160 1.00 0.00 N ATOM 183 CA THR A 428 42.207 -8.030 -15.398 1.00 0.00 C ATOM 184 C THR A 428 42.781 -6.601 -15.544 1.00 0.00 C ATOM 185 O THR A 428 43.908 -6.409 -16.016 1.00 0.00 O ATOM 186 CB THR A 428 42.545 -8.888 -16.649 1.00 0.00 C ATOM 187 OG1 THR A 428 43.957 -9.114 -16.733 1.00 0.00 O ATOM 188 CG2 THR A 428 42.050 -8.219 -17.928 1.00 0.00 C ATOM 0 H THR A 428 40.300 -7.172 -15.506 1.00 0.00 H new ATOM 0 HA THR A 428 42.677 -8.490 -14.529 1.00 0.00 H new ATOM 0 HB THR A 428 42.035 -9.845 -16.543 1.00 0.00 H new ATOM 0 HG1 THR A 428 44.431 -8.260 -16.650 1.00 0.00 H new ATOM 0 HG21 THR A 428 42.301 -8.843 -18.786 1.00 0.00 H new ATOM 0 HG22 THR A 428 40.969 -8.091 -17.877 1.00 0.00 H new ATOM 0 HG23 THR A 428 42.526 -7.244 -18.037 1.00 0.00 H new ATOM 196 N ILE A 429 42.018 -5.607 -15.106 1.00 0.00 N ATOM 197 CA ILE A 429 42.457 -4.208 -15.168 1.00 0.00 C ATOM 198 C ILE A 429 42.050 -3.471 -13.899 1.00 0.00 C ATOM 199 O ILE A 429 41.689 -4.094 -12.911 1.00 0.00 O ATOM 200 CB ILE A 429 41.926 -3.430 -16.422 1.00 0.00 C ATOM 201 CG1 ILE A 429 40.390 -3.482 -16.535 1.00 0.00 C ATOM 202 CG2 ILE A 429 42.587 -3.931 -17.701 1.00 0.00 C ATOM 203 CD1 ILE A 429 39.843 -4.775 -17.097 1.00 0.00 C ATOM 0 H ILE A 429 41.090 -5.738 -14.703 1.00 0.00 H new ATOM 0 HA ILE A 429 43.543 -4.240 -15.259 1.00 0.00 H new ATOM 0 HB ILE A 429 42.200 -2.384 -16.285 1.00 0.00 H new ATOM 0 HG12 ILE A 429 39.961 -3.321 -15.546 1.00 0.00 H new ATOM 0 HG13 ILE A 429 40.057 -2.658 -17.166 1.00 0.00 H new ATOM 0 HG21 ILE A 429 42.199 -3.373 -18.553 1.00 0.00 H new ATOM 0 HG22 ILE A 429 43.665 -3.787 -17.634 1.00 0.00 H new ATOM 0 HG23 ILE A 429 42.370 -4.991 -17.832 1.00 0.00 H new ATOM 0 HD11 ILE A 429 38.755 -4.722 -17.140 1.00 0.00 H new ATOM 0 HD12 ILE A 429 40.239 -4.932 -18.100 1.00 0.00 H new ATOM 0 HD13 ILE A 429 40.140 -5.605 -16.456 1.00 0.00 H new ATOM 215 N LYS A 430 42.114 -2.150 -13.926 1.00 0.00 N ATOM 216 CA LYS A 430 41.787 -1.353 -12.754 1.00 0.00 C ATOM 217 C LYS A 430 40.291 -1.386 -12.450 1.00 0.00 C ATOM 218 O LYS A 430 39.836 -2.112 -11.570 1.00 0.00 O ATOM 219 CB LYS A 430 42.253 0.097 -12.938 1.00 0.00 C ATOM 220 CG LYS A 430 42.267 0.893 -11.647 1.00 0.00 C ATOM 221 CD LYS A 430 43.376 0.406 -10.742 1.00 0.00 C ATOM 222 CE LYS A 430 43.253 0.965 -9.339 1.00 0.00 C ATOM 223 NZ LYS A 430 44.326 0.454 -8.445 1.00 0.00 N ATOM 0 H LYS A 430 42.389 -1.607 -14.745 1.00 0.00 H new ATOM 0 HA LYS A 430 42.313 -1.791 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 430 43.255 0.097 -13.367 1.00 0.00 H new ATOM 0 HB3 LYS A 430 41.599 0.593 -13.655 1.00 0.00 H new ATOM 0 HG2 LYS A 430 42.406 1.952 -11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 430 41.306 0.795 -11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 430 43.358 -0.683 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 430 44.340 0.693 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 430 43.298 2.053 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 430 42.279 0.701 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 44.208 0.859 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 44.267 -0.583 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 45.254 0.728 -8.825 1.00 0.00 H new ATOM 237 N VAL A 431 39.548 -0.605 -13.187 1.00 0.00 N ATOM 238 CA VAL A 431 38.121 -0.488 -13.009 1.00 0.00 C ATOM 239 C VAL A 431 37.559 0.268 -14.203 1.00 0.00 C ATOM 240 O VAL A 431 38.314 0.951 -14.889 1.00 0.00 O ATOM 241 CB VAL A 431 37.786 0.263 -11.680 1.00 0.00 C ATOM 242 CG1 VAL A 431 38.324 1.689 -11.697 1.00 0.00 C ATOM 243 CG2 VAL A 431 36.288 0.247 -11.391 1.00 0.00 C ATOM 0 H VAL A 431 39.919 -0.023 -13.938 1.00 0.00 H new ATOM 0 HA VAL A 431 37.673 -1.480 -12.945 1.00 0.00 H new ATOM 0 HB VAL A 431 38.285 -0.272 -10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 431 38.074 2.183 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 431 39.407 1.668 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 431 37.876 2.237 -12.526 1.00 0.00 H new ATOM 0 HG21 VAL A 431 36.091 0.778 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 431 35.755 0.735 -12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 431 35.946 -0.784 -11.300 1.00 0.00 H new ATOM 253 N SER A 432 36.269 0.141 -14.465 1.00 0.00 N ATOM 254 CA SER A 432 35.649 0.817 -15.600 1.00 0.00 C ATOM 255 C SER A 432 35.915 2.323 -15.561 1.00 0.00 C ATOM 256 O SER A 432 36.325 2.920 -16.558 1.00 0.00 O ATOM 257 CB SER A 432 34.148 0.540 -15.618 1.00 0.00 C ATOM 258 OG SER A 432 33.576 0.761 -14.336 1.00 0.00 O ATOM 0 H SER A 432 35.627 -0.424 -13.909 1.00 0.00 H new ATOM 0 HA SER A 432 36.093 0.424 -16.515 1.00 0.00 H new ATOM 0 HB2 SER A 432 33.664 1.184 -16.352 1.00 0.00 H new ATOM 0 HB3 SER A 432 33.968 -0.489 -15.929 1.00 0.00 H new ATOM 0 HG SER A 432 32.614 0.579 -14.371 1.00 0.00 H new ATOM 264 N THR A 433 35.707 2.917 -14.402 1.00 0.00 N ATOM 265 CA THR A 433 35.922 4.337 -14.211 1.00 0.00 C ATOM 266 C THR A 433 36.330 4.624 -12.776 1.00 0.00 C ATOM 267 O THR A 433 35.944 3.898 -11.863 1.00 0.00 O ATOM 268 CB THR A 433 34.652 5.132 -14.547 1.00 0.00 C ATOM 269 OG1 THR A 433 33.496 4.347 -14.227 1.00 0.00 O ATOM 270 CG2 THR A 433 34.622 5.518 -16.014 1.00 0.00 C ATOM 0 H THR A 433 35.384 2.428 -13.567 1.00 0.00 H new ATOM 0 HA THR A 433 36.722 4.647 -14.883 1.00 0.00 H new ATOM 0 HB THR A 433 34.651 6.047 -13.955 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.695 4.784 -14.584 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.712 6.080 -16.224 1.00 0.00 H new ATOM 0 HG22 THR A 433 35.491 6.134 -16.246 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.642 4.617 -16.628 1.00 0.00 H new ATOM 278 N LYS A 434 37.117 5.664 -12.582 1.00 0.00 N ATOM 279 CA LYS A 434 37.557 6.035 -11.249 1.00 0.00 C ATOM 280 C LYS A 434 36.778 7.254 -10.771 1.00 0.00 C ATOM 281 O LYS A 434 36.450 8.128 -11.569 1.00 0.00 O ATOM 282 CB LYS A 434 39.062 6.329 -11.229 1.00 0.00 C ATOM 283 CG LYS A 434 39.928 5.214 -11.803 1.00 0.00 C ATOM 284 CD LYS A 434 41.401 5.430 -11.471 1.00 0.00 C ATOM 285 CE LYS A 434 41.688 5.087 -10.024 1.00 0.00 C ATOM 286 NZ LYS A 434 43.022 5.575 -9.577 1.00 0.00 N ATOM 0 H LYS A 434 37.465 6.267 -13.328 1.00 0.00 H new ATOM 0 HA LYS A 434 37.367 5.198 -10.577 1.00 0.00 H new ATOM 0 HB2 LYS A 434 39.249 7.244 -11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 434 39.369 6.519 -10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.600 4.254 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 434 39.799 5.171 -12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 434 42.019 4.813 -12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 434 41.672 6.468 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 434 40.915 5.521 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 434 41.637 4.006 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 42.964 5.885 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 43.718 4.807 -9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 43.317 6.375 -10.173 1.00 0.00 H new ATOM 300 N PRO A 435 36.453 7.321 -9.477 1.00 0.00 N ATOM 301 CA PRO A 435 35.694 8.438 -8.919 1.00 0.00 C ATOM 302 C PRO A 435 36.534 9.708 -8.747 1.00 0.00 C ATOM 303 O PRO A 435 37.686 9.653 -8.308 1.00 0.00 O ATOM 304 CB PRO A 435 35.241 7.909 -7.557 1.00 0.00 C ATOM 305 CG PRO A 435 36.287 6.920 -7.171 1.00 0.00 C ATOM 306 CD PRO A 435 36.788 6.309 -8.454 1.00 0.00 C ATOM 0 HA PRO A 435 34.877 8.736 -9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 435 35.166 8.713 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 435 34.258 7.442 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 435 37.099 7.405 -6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.875 6.156 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.861 6.119 -8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 435 36.302 5.355 -8.660 1.00 0.00 H new ATOM 314 N CYS A 436 35.944 10.842 -9.111 1.00 0.00 N ATOM 315 CA CYS A 436 36.574 12.144 -8.955 1.00 0.00 C ATOM 316 C CYS A 436 36.739 12.457 -7.470 1.00 0.00 C ATOM 317 O CYS A 436 35.893 12.090 -6.662 1.00 0.00 O ATOM 318 CB CYS A 436 35.700 13.210 -9.646 1.00 0.00 C ATOM 319 SG CYS A 436 36.189 14.956 -9.370 1.00 0.00 S ATOM 0 H CYS A 436 35.012 10.882 -9.524 1.00 0.00 H new ATOM 0 HA CYS A 436 37.561 12.142 -9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.707 13.017 -10.719 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.672 13.084 -9.306 1.00 0.00 H new ATOM 324 N PRO A 437 37.824 13.138 -7.089 1.00 0.00 N ATOM 325 CA PRO A 437 38.076 13.491 -5.691 1.00 0.00 C ATOM 326 C PRO A 437 37.005 14.426 -5.126 1.00 0.00 C ATOM 327 O PRO A 437 36.878 14.576 -3.911 1.00 0.00 O ATOM 328 CB PRO A 437 39.432 14.209 -5.735 1.00 0.00 C ATOM 329 CG PRO A 437 39.601 14.634 -7.151 1.00 0.00 C ATOM 330 CD PRO A 437 38.891 13.607 -7.978 1.00 0.00 C ATOM 0 HA PRO A 437 38.064 12.612 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.446 15.066 -5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 437 40.239 13.546 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.179 15.626 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.656 14.689 -7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.490 14.037 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.557 12.795 -8.270 1.00 0.00 H new ATOM 338 N LYS A 438 36.235 15.044 -6.007 1.00 0.00 N ATOM 339 CA LYS A 438 35.210 15.985 -5.582 1.00 0.00 C ATOM 340 C LYS A 438 33.801 15.434 -5.810 1.00 0.00 C ATOM 341 O LYS A 438 33.128 15.012 -4.863 1.00 0.00 O ATOM 342 CB LYS A 438 35.383 17.343 -6.284 1.00 0.00 C ATOM 343 CG LYS A 438 36.333 18.318 -5.574 1.00 0.00 C ATOM 344 CD LYS A 438 37.727 17.736 -5.379 1.00 0.00 C ATOM 345 CE LYS A 438 38.684 18.756 -4.769 1.00 0.00 C ATOM 346 NZ LYS A 438 38.184 19.307 -3.483 1.00 0.00 N ATOM 0 H LYS A 438 36.299 14.912 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 438 35.334 16.133 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.752 17.169 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.405 17.815 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.405 19.238 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 438 35.915 18.585 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.669 16.860 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 438 38.118 17.399 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 438 39.655 18.287 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 438 38.838 19.572 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 38.937 19.861 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 37.364 19.920 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 37.901 18.526 -2.857 1.00 0.00 H new ATOM 360 N CYS A 439 33.365 15.415 -7.062 1.00 0.00 N ATOM 361 CA CYS A 439 32.019 14.956 -7.386 1.00 0.00 C ATOM 362 C CYS A 439 31.922 13.435 -7.370 1.00 0.00 C ATOM 363 O CYS A 439 30.820 12.879 -7.324 1.00 0.00 O ATOM 364 CB CYS A 439 31.575 15.514 -8.738 1.00 0.00 C ATOM 365 SG CYS A 439 32.707 15.151 -10.103 1.00 0.00 S ATOM 0 H CYS A 439 33.919 15.710 -7.866 1.00 0.00 H new ATOM 0 HA CYS A 439 31.346 15.332 -6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.592 15.110 -8.980 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.463 16.595 -8.652 1.00 0.00 H new ATOM 370 N ARG A 440 33.080 12.774 -7.404 1.00 0.00 N ATOM 371 CA ARG A 440 33.166 11.311 -7.390 1.00 0.00 C ATOM 372 C ARG A 440 32.474 10.684 -8.584 1.00 0.00 C ATOM 373 O ARG A 440 32.033 9.540 -8.524 1.00 0.00 O ATOM 374 CB ARG A 440 32.617 10.737 -6.095 1.00 0.00 C ATOM 375 CG ARG A 440 33.557 10.907 -4.923 1.00 0.00 C ATOM 376 CD ARG A 440 32.981 10.294 -3.676 1.00 0.00 C ATOM 377 NE ARG A 440 31.696 10.897 -3.334 1.00 0.00 N ATOM 378 CZ ARG A 440 30.580 10.217 -3.075 1.00 0.00 C ATOM 379 NH1 ARG A 440 30.598 8.889 -3.014 1.00 0.00 N ATOM 380 NH2 ARG A 440 29.451 10.874 -2.857 1.00 0.00 N ATOM 0 H ARG A 440 33.987 13.238 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 440 34.225 11.061 -7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.668 11.221 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 440 32.409 9.676 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 440 34.516 10.442 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.748 11.967 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 440 32.855 9.221 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 440 33.678 10.424 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 440 31.649 11.915 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 440 31.471 8.383 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 440 29.739 8.376 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 440 29.440 11.893 -2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 440 28.592 10.361 -2.658 1.00 0.00 H new ATOM 394 N THR A 441 32.396 11.423 -9.671 1.00 0.00 N ATOM 395 CA THR A 441 31.775 10.922 -10.877 1.00 0.00 C ATOM 396 C THR A 441 32.690 9.935 -11.589 1.00 0.00 C ATOM 397 O THR A 441 33.911 9.951 -11.385 1.00 0.00 O ATOM 398 CB THR A 441 31.406 12.067 -11.834 1.00 0.00 C ATOM 399 OG1 THR A 441 32.510 12.965 -11.969 1.00 0.00 O ATOM 400 CG2 THR A 441 30.193 12.815 -11.322 1.00 0.00 C ATOM 0 H THR A 441 32.756 12.375 -9.743 1.00 0.00 H new ATOM 0 HA THR A 441 30.860 10.409 -10.580 1.00 0.00 H new ATOM 0 HB THR A 441 31.168 11.642 -12.809 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.291 13.820 -11.543 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.946 13.622 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.348 12.130 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.411 13.232 -10.339 1.00 0.00 H new ATOM 408 N PRO A 442 32.110 9.045 -12.412 1.00 0.00 N ATOM 409 CA PRO A 442 32.875 8.064 -13.174 1.00 0.00 C ATOM 410 C PRO A 442 33.814 8.728 -14.184 1.00 0.00 C ATOM 411 O PRO A 442 33.392 9.161 -15.263 1.00 0.00 O ATOM 412 CB PRO A 442 31.800 7.234 -13.895 1.00 0.00 C ATOM 413 CG PRO A 442 30.583 8.094 -13.897 1.00 0.00 C ATOM 414 CD PRO A 442 30.657 8.919 -12.648 1.00 0.00 C ATOM 0 HA PRO A 442 33.521 7.464 -12.532 1.00 0.00 H new ATOM 0 HB2 PRO A 442 32.109 6.985 -14.910 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.616 6.292 -13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.556 8.729 -14.783 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.677 7.488 -13.911 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.185 9.892 -12.780 1.00 0.00 H new ATOM 0 HD3 PRO A 442 30.154 8.431 -11.813 1.00 0.00 H new ATOM 422 N THR A 443 35.072 8.832 -13.813 1.00 0.00 N ATOM 423 CA THR A 443 36.076 9.421 -14.663 1.00 0.00 C ATOM 424 C THR A 443 36.738 8.347 -15.513 1.00 0.00 C ATOM 425 O THR A 443 37.298 7.375 -14.981 1.00 0.00 O ATOM 426 CB THR A 443 37.148 10.147 -13.821 1.00 0.00 C ATOM 427 OG1 THR A 443 36.512 11.088 -12.944 1.00 0.00 O ATOM 428 CG2 THR A 443 38.147 10.879 -14.713 1.00 0.00 C ATOM 0 H THR A 443 35.425 8.509 -12.912 1.00 0.00 H new ATOM 0 HA THR A 443 35.588 10.148 -15.313 1.00 0.00 H new ATOM 0 HB THR A 443 37.689 9.401 -13.240 1.00 0.00 H new ATOM 0 HG1 THR A 443 37.192 11.547 -12.408 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.889 11.381 -14.092 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.645 10.162 -15.366 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.621 11.618 -15.318 1.00 0.00 H new ATOM 436 N GLU A 444 36.646 8.507 -16.828 1.00 0.00 N ATOM 437 CA GLU A 444 37.251 7.568 -17.758 1.00 0.00 C ATOM 438 C GLU A 444 38.757 7.564 -17.588 1.00 0.00 C ATOM 439 O GLU A 444 39.354 8.577 -17.209 1.00 0.00 O ATOM 440 CB GLU A 444 36.896 7.928 -19.198 1.00 0.00 C ATOM 441 CG GLU A 444 35.404 7.969 -19.480 1.00 0.00 C ATOM 442 CD GLU A 444 34.718 6.630 -19.291 1.00 0.00 C ATOM 443 OE1 GLU A 444 35.324 5.591 -19.618 1.00 0.00 O ATOM 444 OE2 GLU A 444 33.550 6.614 -18.829 1.00 0.00 O ATOM 0 H GLU A 444 36.155 9.283 -17.273 1.00 0.00 H new ATOM 0 HA GLU A 444 36.861 6.573 -17.541 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.326 8.902 -19.434 1.00 0.00 H new ATOM 0 HB3 GLU A 444 37.361 7.204 -19.867 1.00 0.00 H new ATOM 0 HG2 GLU A 444 34.938 8.704 -18.823 1.00 0.00 H new ATOM 0 HG3 GLU A 444 35.244 8.309 -20.503 1.00 0.00 H new ATOM 451 N ARG A 445 39.368 6.444 -17.866 1.00 0.00 N ATOM 452 CA ARG A 445 40.804 6.324 -17.704 1.00 0.00 C ATOM 453 C ARG A 445 41.517 6.128 -19.036 1.00 0.00 C ATOM 454 O ARG A 445 41.077 5.351 -19.889 1.00 0.00 O ATOM 455 CB ARG A 445 41.162 5.207 -16.718 1.00 0.00 C ATOM 456 CG ARG A 445 40.564 3.862 -17.047 1.00 0.00 C ATOM 457 CD ARG A 445 41.078 2.758 -16.121 1.00 0.00 C ATOM 458 NE ARG A 445 40.365 1.511 -16.375 1.00 0.00 N ATOM 459 CZ ARG A 445 40.633 0.667 -17.373 1.00 0.00 C ATOM 460 NH1 ARG A 445 41.692 0.855 -18.152 1.00 0.00 N ATOM 461 NH2 ARG A 445 39.846 -0.381 -17.577 1.00 0.00 N ATOM 0 H ARG A 445 38.903 5.602 -18.204 1.00 0.00 H new ATOM 0 HA ARG A 445 41.156 7.268 -17.287 1.00 0.00 H new ATOM 0 HB2 ARG A 445 42.247 5.108 -16.680 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.834 5.502 -15.721 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.478 3.921 -16.971 1.00 0.00 H new ATOM 0 HG3 ARG A 445 40.798 3.605 -18.080 1.00 0.00 H new ATOM 0 HD2 ARG A 445 42.147 2.612 -16.277 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.945 3.055 -15.081 1.00 0.00 H new ATOM 0 HE ARG A 445 39.604 1.266 -15.742 1.00 0.00 H new ATOM 0 HH11 ARG A 445 42.309 1.651 -17.990 1.00 0.00 H new ATOM 0 HH12 ARG A 445 41.888 0.204 -18.912 1.00 0.00 H new ATOM 0 HH21 ARG A 445 39.040 -0.539 -16.972 1.00 0.00 H new ATOM 0 HH22 ARG A 445 40.047 -1.029 -18.339 1.00 0.00 H new ATOM 475 N ASP A 446 42.611 6.847 -19.201 1.00 0.00 N ATOM 476 CA ASP A 446 43.424 6.784 -20.408 1.00 0.00 C ATOM 477 C ASP A 446 44.757 6.116 -20.106 1.00 0.00 C ATOM 478 O ASP A 446 45.391 6.419 -19.102 1.00 0.00 O ATOM 479 CB ASP A 446 43.653 8.194 -20.959 1.00 0.00 C ATOM 480 CG ASP A 446 44.656 8.220 -22.087 1.00 0.00 C ATOM 481 OD1 ASP A 446 44.294 7.859 -23.220 1.00 0.00 O ATOM 482 OD2 ASP A 446 45.814 8.609 -21.844 1.00 0.00 O ATOM 0 H ASP A 446 42.966 7.496 -18.499 1.00 0.00 H new ATOM 0 HA ASP A 446 42.898 6.194 -21.158 1.00 0.00 H new ATOM 0 HB2 ASP A 446 42.705 8.601 -21.311 1.00 0.00 H new ATOM 0 HB3 ASP A 446 43.999 8.843 -20.155 1.00 0.00 H new ATOM 487 N GLY A 447 45.183 5.214 -20.974 1.00 0.00 N ATOM 488 CA GLY A 447 46.420 4.489 -20.739 1.00 0.00 C ATOM 489 C GLY A 447 47.644 5.169 -21.325 1.00 0.00 C ATOM 490 O GLY A 447 48.747 4.631 -21.254 1.00 0.00 O ATOM 0 H GLY A 447 44.698 4.968 -21.837 1.00 0.00 H new ATOM 0 HA2 GLY A 447 46.562 4.367 -19.665 1.00 0.00 H new ATOM 0 HA3 GLY A 447 46.332 3.489 -21.164 1.00 0.00 H new ATOM 494 N GLY A 448 47.463 6.351 -21.890 1.00 0.00 N ATOM 495 CA GLY A 448 48.577 7.058 -22.494 1.00 0.00 C ATOM 496 C GLY A 448 49.189 8.077 -21.560 1.00 0.00 C ATOM 497 O GLY A 448 50.260 8.627 -21.836 1.00 0.00 O ATOM 0 H GLY A 448 46.567 6.835 -21.943 1.00 0.00 H new ATOM 0 HA2 GLY A 448 49.340 6.340 -22.793 1.00 0.00 H new ATOM 0 HA3 GLY A 448 48.237 7.559 -23.401 1.00 0.00 H new ATOM 501 N CYS A 449 48.509 8.348 -20.466 1.00 0.00 N ATOM 502 CA CYS A 449 48.990 9.291 -19.485 1.00 0.00 C ATOM 503 C CYS A 449 48.488 8.920 -18.103 1.00 0.00 C ATOM 504 O CYS A 449 47.383 8.411 -17.955 1.00 0.00 O ATOM 505 CB CYS A 449 48.552 10.709 -19.854 1.00 0.00 C ATOM 506 SG CYS A 449 46.785 10.879 -20.209 1.00 0.00 S ATOM 0 H CYS A 449 47.612 7.922 -20.234 1.00 0.00 H new ATOM 0 HA CYS A 449 50.079 9.258 -19.474 1.00 0.00 H new ATOM 0 HB2 CYS A 449 48.812 11.381 -19.036 1.00 0.00 H new ATOM 0 HB3 CYS A 449 49.118 11.035 -20.726 1.00 0.00 H new ATOM 0 HG CYS A 449 46.360 9.812 -20.818 1.00 0.00 H new ATOM 512 N MET A 450 49.295 9.177 -17.094 1.00 0.00 N ATOM 513 CA MET A 450 48.931 8.853 -15.730 1.00 0.00 C ATOM 514 C MET A 450 48.415 10.115 -15.020 1.00 0.00 C ATOM 515 O MET A 450 48.602 10.309 -13.817 1.00 0.00 O ATOM 516 CB MET A 450 50.134 8.230 -15.000 1.00 0.00 C ATOM 517 CG MET A 450 49.764 7.432 -13.763 1.00 0.00 C ATOM 518 SD MET A 450 51.097 6.371 -13.175 1.00 0.00 S ATOM 519 CE MET A 450 52.232 7.589 -12.539 1.00 0.00 C ATOM 0 H MET A 450 50.212 9.612 -17.194 1.00 0.00 H new ATOM 0 HA MET A 450 48.128 8.116 -15.724 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.668 7.579 -15.692 1.00 0.00 H new ATOM 0 HB3 MET A 450 50.823 9.025 -14.714 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.478 8.120 -12.967 1.00 0.00 H new ATOM 0 HG3 MET A 450 48.890 6.818 -13.983 1.00 0.00 H new ATOM 0 HE1 MET A 450 53.122 7.091 -12.153 1.00 0.00 H new ATOM 0 HE2 MET A 450 52.517 8.273 -13.338 1.00 0.00 H new ATOM 0 HE3 MET A 450 51.753 8.149 -11.736 1.00 0.00 H new ATOM 529 N HIS A 451 47.755 10.956 -15.798 1.00 0.00 N ATOM 530 CA HIS A 451 47.135 12.179 -15.314 1.00 0.00 C ATOM 531 C HIS A 451 45.649 12.099 -15.630 1.00 0.00 C ATOM 532 O HIS A 451 45.272 11.888 -16.782 1.00 0.00 O ATOM 533 CB HIS A 451 47.770 13.403 -16.011 1.00 0.00 C ATOM 534 CG HIS A 451 47.289 14.745 -15.510 1.00 0.00 C ATOM 535 ND1 HIS A 451 48.139 15.616 -14.877 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.063 15.318 -15.605 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.420 16.694 -14.606 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.157 16.560 -15.029 1.00 0.00 N ATOM 0 H HIS A 451 47.633 10.806 -16.800 1.00 0.00 H new ATOM 0 HA HIS A 451 47.286 12.289 -14.240 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.852 13.352 -15.887 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.569 13.338 -17.080 1.00 0.00 H new ATOM 0 HD1 HIS A 451 49.124 15.464 -14.660 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.181 14.880 -16.049 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.804 17.571 -14.107 1.00 0.00 H new ATOM 546 N MET A 452 44.811 12.250 -14.628 1.00 0.00 N ATOM 547 CA MET A 452 43.385 12.124 -14.838 1.00 0.00 C ATOM 548 C MET A 452 42.676 13.458 -14.805 1.00 0.00 C ATOM 549 O MET A 452 43.054 14.369 -14.067 1.00 0.00 O ATOM 550 CB MET A 452 42.764 11.161 -13.839 1.00 0.00 C ATOM 551 CG MET A 452 42.444 9.815 -14.428 1.00 0.00 C ATOM 552 SD MET A 452 41.761 8.695 -13.221 1.00 0.00 S ATOM 553 CE MET A 452 41.339 7.361 -14.285 1.00 0.00 C ATOM 0 H MET A 452 45.088 12.458 -13.669 1.00 0.00 H new ATOM 0 HA MET A 452 43.254 11.715 -15.840 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.447 11.029 -13.000 1.00 0.00 H new ATOM 0 HB3 MET A 452 41.850 11.602 -13.440 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.736 9.938 -15.248 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.350 9.381 -14.852 1.00 0.00 H new ATOM 0 HE1 MET A 452 40.283 7.118 -14.163 1.00 0.00 H new ATOM 0 HE2 MET A 452 41.528 7.647 -15.320 1.00 0.00 H new ATOM 0 HE3 MET A 452 41.943 6.489 -14.033 1.00 0.00 H new ATOM 563 N VAL A 453 41.651 13.563 -15.618 1.00 0.00 N ATOM 564 CA VAL A 453 40.869 14.770 -15.730 1.00 0.00 C ATOM 565 C VAL A 453 39.404 14.438 -15.607 1.00 0.00 C ATOM 566 O VAL A 453 38.897 13.599 -16.353 1.00 0.00 O ATOM 567 CB VAL A 453 41.082 15.438 -17.103 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.301 16.742 -17.199 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.561 15.666 -17.380 1.00 0.00 C ATOM 0 H VAL A 453 41.335 12.807 -16.225 1.00 0.00 H new ATOM 0 HA VAL A 453 41.186 15.447 -14.936 1.00 0.00 H new ATOM 0 HB VAL A 453 40.702 14.760 -17.867 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.467 17.195 -18.177 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.238 16.540 -17.069 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.638 17.426 -16.420 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.680 16.138 -18.355 1.00 0.00 H new ATOM 0 HG22 VAL A 453 42.980 16.313 -16.610 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.084 14.710 -17.374 1.00 0.00 H new ATOM 579 N CYS A 454 38.721 15.070 -14.669 1.00 0.00 N ATOM 580 CA CYS A 454 37.302 14.867 -14.541 1.00 0.00 C ATOM 581 C CYS A 454 36.618 15.443 -15.761 1.00 0.00 C ATOM 582 O CYS A 454 36.740 16.637 -16.053 1.00 0.00 O ATOM 583 CB CYS A 454 36.757 15.510 -13.270 1.00 0.00 C ATOM 584 SG CYS A 454 35.009 15.132 -12.941 1.00 0.00 S ATOM 0 H CYS A 454 39.127 15.720 -13.995 1.00 0.00 H new ATOM 0 HA CYS A 454 37.102 13.798 -14.471 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.356 15.178 -12.422 1.00 0.00 H new ATOM 0 HB3 CYS A 454 36.877 16.591 -13.342 1.00 0.00 H new ATOM 589 N THR A 455 35.917 14.606 -16.466 1.00 0.00 N ATOM 590 CA THR A 455 35.267 15.001 -17.685 1.00 0.00 C ATOM 591 C THR A 455 33.826 15.466 -17.427 1.00 0.00 C ATOM 592 O THR A 455 33.065 15.724 -18.361 1.00 0.00 O ATOM 593 CB THR A 455 35.342 13.859 -18.749 1.00 0.00 C ATOM 594 OG1 THR A 455 34.349 14.010 -19.773 1.00 0.00 O ATOM 595 CG2 THR A 455 35.225 12.498 -18.096 1.00 0.00 C ATOM 0 H THR A 455 35.778 13.628 -16.214 1.00 0.00 H new ATOM 0 HA THR A 455 35.801 15.859 -18.094 1.00 0.00 H new ATOM 0 HB THR A 455 36.320 13.934 -19.225 1.00 0.00 H new ATOM 0 HG1 THR A 455 33.892 14.870 -19.661 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.280 11.722 -18.860 1.00 0.00 H new ATOM 0 HG22 THR A 455 36.039 12.365 -17.384 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.271 12.426 -17.574 1.00 0.00 H new ATOM 603 N ARG A 456 33.470 15.611 -16.152 1.00 0.00 N ATOM 604 CA ARG A 456 32.149 16.092 -15.796 1.00 0.00 C ATOM 605 C ARG A 456 32.014 17.561 -16.161 1.00 0.00 C ATOM 606 O ARG A 456 32.903 18.367 -15.865 1.00 0.00 O ATOM 607 CB ARG A 456 31.877 15.897 -14.299 1.00 0.00 C ATOM 608 CG ARG A 456 30.623 16.614 -13.810 1.00 0.00 C ATOM 609 CD ARG A 456 30.403 16.429 -12.323 1.00 0.00 C ATOM 610 NE ARG A 456 29.299 17.258 -11.833 1.00 0.00 N ATOM 611 CZ ARG A 456 28.145 16.787 -11.347 1.00 0.00 C ATOM 612 NH1 ARG A 456 27.926 15.474 -11.286 1.00 0.00 N ATOM 613 NH2 ARG A 456 27.209 17.632 -10.925 1.00 0.00 N ATOM 0 H ARG A 456 34.076 15.403 -15.359 1.00 0.00 H new ATOM 0 HA ARG A 456 31.414 15.513 -16.355 1.00 0.00 H new ATOM 0 HB2 ARG A 456 31.781 14.831 -14.091 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.736 16.256 -13.732 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.704 17.678 -14.034 1.00 0.00 H new ATOM 0 HG3 ARG A 456 29.756 16.238 -14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.192 15.380 -12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.316 16.684 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 456 29.419 18.270 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 456 28.640 14.822 -11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 456 27.044 15.121 -10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.371 18.638 -10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 456 26.329 17.274 -10.554 1.00 0.00 H new ATOM 627 N ALA A 457 30.914 17.903 -16.814 1.00 0.00 N ATOM 628 CA ALA A 457 30.648 19.276 -17.189 1.00 0.00 C ATOM 629 C ALA A 457 30.489 20.128 -15.943 1.00 0.00 C ATOM 630 O ALA A 457 29.671 19.822 -15.076 1.00 0.00 O ATOM 631 CB ALA A 457 29.400 19.356 -18.051 1.00 0.00 C ATOM 0 H ALA A 457 30.190 17.242 -17.095 1.00 0.00 H new ATOM 0 HA ALA A 457 31.489 19.655 -17.769 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.213 20.394 -18.325 1.00 0.00 H new ATOM 0 HB2 ALA A 457 29.543 18.763 -18.954 1.00 0.00 H new ATOM 0 HB3 ALA A 457 28.547 18.969 -17.493 1.00 0.00 H new ATOM 637 N GLY A 458 31.289 21.168 -15.841 1.00 0.00 N ATOM 638 CA GLY A 458 31.233 22.033 -14.685 1.00 0.00 C ATOM 639 C GLY A 458 32.343 21.733 -13.701 1.00 0.00 C ATOM 640 O GLY A 458 32.790 22.616 -12.964 1.00 0.00 O ATOM 0 H GLY A 458 31.982 21.433 -16.541 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.303 23.072 -15.006 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.268 21.916 -14.191 1.00 0.00 H new ATOM 644 N CYS A 459 32.795 20.484 -13.686 1.00 0.00 N ATOM 645 CA CYS A 459 33.863 20.086 -12.795 1.00 0.00 C ATOM 646 C CYS A 459 35.204 20.384 -13.441 1.00 0.00 C ATOM 647 O CYS A 459 35.860 21.373 -13.098 1.00 0.00 O ATOM 648 CB CYS A 459 33.763 18.591 -12.446 1.00 0.00 C ATOM 649 SG CYS A 459 34.742 18.096 -10.986 1.00 0.00 S ATOM 0 H CYS A 459 32.436 19.737 -14.281 1.00 0.00 H new ATOM 0 HA CYS A 459 33.772 20.654 -11.869 1.00 0.00 H new ATOM 0 HB2 CYS A 459 32.717 18.340 -12.270 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.092 18.006 -13.305 1.00 0.00 H new ATOM 654 N GLY A 460 35.594 19.536 -14.394 1.00 0.00 N ATOM 655 CA GLY A 460 36.862 19.709 -15.088 1.00 0.00 C ATOM 656 C GLY A 460 38.037 19.704 -14.140 1.00 0.00 C ATOM 657 O GLY A 460 39.075 20.314 -14.411 1.00 0.00 O ATOM 0 H GLY A 460 35.051 18.728 -14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 460 36.985 18.911 -15.820 1.00 0.00 H new ATOM 0 HA3 GLY A 460 36.847 20.649 -15.640 1.00 0.00 H new ATOM 661 N PHE A 461 37.877 19.020 -13.028 1.00 0.00 N ATOM 662 CA PHE A 461 38.898 18.969 -12.016 1.00 0.00 C ATOM 663 C PHE A 461 39.942 17.918 -12.365 1.00 0.00 C ATOM 664 O PHE A 461 39.612 16.788 -12.705 1.00 0.00 O ATOM 665 CB PHE A 461 38.268 18.674 -10.660 1.00 0.00 C ATOM 666 CG PHE A 461 39.162 18.980 -9.506 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.309 20.283 -9.059 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.852 17.974 -8.867 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.132 20.573 -7.994 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.676 18.256 -7.803 1.00 0.00 C ATOM 671 CZ PHE A 461 40.816 19.558 -7.364 1.00 0.00 C ATOM 0 H PHE A 461 37.037 18.487 -12.805 1.00 0.00 H new ATOM 0 HA PHE A 461 39.397 19.937 -11.967 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.350 19.254 -10.561 1.00 0.00 H new ATOM 0 HB3 PHE A 461 37.986 17.622 -10.621 1.00 0.00 H new ATOM 0 HD1 PHE A 461 38.772 21.080 -9.551 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.745 16.954 -9.205 1.00 0.00 H new ATOM 0 HE1 PHE A 461 40.240 21.592 -7.654 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.214 17.459 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.462 19.780 -6.527 1.00 0.00 H new ATOM 681 N GLU A 462 41.197 18.298 -12.291 1.00 0.00 N ATOM 682 CA GLU A 462 42.280 17.395 -12.616 1.00 0.00 C ATOM 683 C GLU A 462 42.864 16.781 -11.358 1.00 0.00 C ATOM 684 O GLU A 462 42.902 17.419 -10.307 1.00 0.00 O ATOM 685 CB GLU A 462 43.362 18.128 -13.398 1.00 0.00 C ATOM 686 CG GLU A 462 42.868 18.714 -14.706 1.00 0.00 C ATOM 687 CD GLU A 462 43.922 19.521 -15.413 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.910 18.929 -15.884 1.00 0.00 O ATOM 689 OE2 GLU A 462 43.765 20.758 -15.513 1.00 0.00 O ATOM 0 H GLU A 462 41.495 19.231 -12.007 1.00 0.00 H new ATOM 0 HA GLU A 462 41.882 16.592 -13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 462 43.767 18.929 -12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.181 17.439 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.535 17.907 -15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.001 19.346 -14.512 1.00 0.00 H new ATOM 696 N TRP A 463 43.300 15.546 -11.465 1.00 0.00 N ATOM 697 CA TRP A 463 43.886 14.840 -10.347 1.00 0.00 C ATOM 698 C TRP A 463 44.852 13.777 -10.833 1.00 0.00 C ATOM 699 O TRP A 463 44.784 13.340 -11.987 1.00 0.00 O ATOM 700 CB TRP A 463 42.802 14.245 -9.429 1.00 0.00 C ATOM 701 CG TRP A 463 41.709 13.481 -10.133 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.742 13.992 -10.958 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.446 12.077 -10.036 1.00 0.00 C ATOM 704 NE1 TRP A 463 39.907 12.993 -11.384 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.315 11.807 -10.833 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.059 11.021 -9.356 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.787 10.530 -10.963 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.531 9.753 -9.488 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.406 9.518 -10.284 1.00 0.00 C ATOM 0 H TRP A 463 43.259 15.003 -12.328 1.00 0.00 H new ATOM 0 HA TRP A 463 44.451 15.557 -9.752 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.282 13.581 -8.711 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.347 15.055 -8.859 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.651 15.032 -11.233 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.111 13.113 -12.010 1.00 0.00 H new ATOM 0 HE3 TRP A 463 42.929 11.194 -8.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.919 10.343 -11.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.995 8.928 -8.968 1.00 0.00 H new ATOM 0 HH2 TRP A 463 40.017 8.514 -10.364 1.00 0.00 H new ATOM 720 N CYS A 464 45.763 13.373 -9.973 1.00 0.00 N ATOM 721 CA CYS A 464 46.761 12.406 -10.348 1.00 0.00 C ATOM 722 C CYS A 464 46.220 10.969 -10.279 1.00 0.00 C ATOM 723 O CYS A 464 45.706 10.533 -9.261 1.00 0.00 O ATOM 724 CB CYS A 464 48.028 12.601 -9.518 1.00 0.00 C ATOM 725 SG CYS A 464 47.742 12.906 -7.747 1.00 0.00 S ATOM 0 H CYS A 464 45.829 13.702 -9.010 1.00 0.00 H new ATOM 0 HA CYS A 464 47.026 12.573 -11.392 1.00 0.00 H new ATOM 0 HB2 CYS A 464 48.654 11.715 -9.623 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.590 13.439 -9.930 1.00 0.00 H new ATOM 730 N TRP A 465 46.390 10.261 -11.389 1.00 0.00 N ATOM 731 CA TRP A 465 45.885 8.888 -11.621 1.00 0.00 C ATOM 732 C TRP A 465 46.016 7.946 -10.415 1.00 0.00 C ATOM 733 O TRP A 465 45.032 7.338 -9.992 1.00 0.00 O ATOM 734 CB TRP A 465 46.634 8.312 -12.820 1.00 0.00 C ATOM 735 CG TRP A 465 46.385 6.868 -13.134 1.00 0.00 C ATOM 736 CD1 TRP A 465 46.859 5.779 -12.458 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.655 6.361 -14.244 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.430 4.629 -13.063 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.694 4.957 -14.166 1.00 0.00 C ATOM 740 CE3 TRP A 465 44.961 6.958 -15.292 1.00 0.00 C ATOM 741 CZ2 TRP A 465 45.068 4.145 -15.099 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.341 6.154 -16.216 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.397 4.756 -16.115 1.00 0.00 C ATOM 0 H TRP A 465 46.901 10.630 -12.191 1.00 0.00 H new ATOM 0 HA TRP A 465 44.813 8.962 -11.804 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.375 8.902 -13.699 1.00 0.00 H new ATOM 0 HB3 TRP A 465 47.703 8.445 -12.651 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.481 5.820 -11.576 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.628 3.681 -12.742 1.00 0.00 H new ATOM 0 HE3 TRP A 465 44.911 8.034 -15.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 45.111 3.069 -15.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.801 6.606 -17.035 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.898 4.152 -16.858 1.00 0.00 H new ATOM 754 N VAL A 466 47.232 7.793 -9.898 1.00 0.00 N ATOM 755 CA VAL A 466 47.491 6.851 -8.800 1.00 0.00 C ATOM 756 C VAL A 466 46.704 7.216 -7.538 1.00 0.00 C ATOM 757 O VAL A 466 46.263 6.339 -6.793 1.00 0.00 O ATOM 758 CB VAL A 466 49.003 6.766 -8.457 1.00 0.00 C ATOM 759 CG1 VAL A 466 49.278 5.652 -7.459 1.00 0.00 C ATOM 760 CG2 VAL A 466 49.836 6.580 -9.718 1.00 0.00 C ATOM 0 H VAL A 466 48.055 8.305 -10.217 1.00 0.00 H new ATOM 0 HA VAL A 466 47.155 5.876 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 466 49.293 7.709 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 466 50.345 5.617 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 466 48.723 5.842 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 466 48.963 4.698 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 466 50.891 6.523 -9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 466 49.538 5.659 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 466 49.676 7.425 -10.388 1.00 0.00 H new ATOM 770 N CYS A 467 46.513 8.500 -7.312 1.00 0.00 N ATOM 771 CA CYS A 467 45.805 8.964 -6.138 1.00 0.00 C ATOM 772 C CYS A 467 44.299 9.074 -6.420 1.00 0.00 C ATOM 773 O CYS A 467 43.832 8.733 -7.501 1.00 0.00 O ATOM 774 CB CYS A 467 46.367 10.328 -5.689 1.00 0.00 C ATOM 775 SG CYS A 467 48.150 10.316 -5.262 1.00 0.00 S ATOM 0 H CYS A 467 46.840 9.243 -7.929 1.00 0.00 H new ATOM 0 HA CYS A 467 45.949 8.240 -5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 467 46.203 11.054 -6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 467 45.802 10.672 -4.823 1.00 0.00 H new ATOM 780 N GLN A 468 43.560 9.511 -5.421 1.00 0.00 N ATOM 781 CA GLN A 468 42.125 9.755 -5.548 1.00 0.00 C ATOM 782 C GLN A 468 41.804 11.092 -4.929 1.00 0.00 C ATOM 783 O GLN A 468 40.658 11.397 -4.607 1.00 0.00 O ATOM 784 CB GLN A 468 41.310 8.651 -4.863 1.00 0.00 C ATOM 785 CG GLN A 468 41.132 7.401 -5.704 1.00 0.00 C ATOM 786 CD GLN A 468 40.310 6.340 -4.999 1.00 0.00 C ATOM 787 OE1 GLN A 468 39.081 6.320 -5.096 1.00 0.00 O ATOM 788 NE2 GLN A 468 40.978 5.449 -4.301 1.00 0.00 N ATOM 0 H GLN A 468 43.932 9.710 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 468 41.859 9.755 -6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 468 41.799 8.380 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 468 40.327 9.046 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 468 40.649 7.665 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 468 42.111 6.992 -5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 468 41.995 5.502 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 468 40.479 4.705 -3.814 1.00 0.00 H new ATOM 797 N THR A 469 42.835 11.884 -4.782 1.00 0.00 N ATOM 798 CA THR A 469 42.744 13.181 -4.175 1.00 0.00 C ATOM 799 C THR A 469 43.171 14.236 -5.196 1.00 0.00 C ATOM 800 O THR A 469 43.753 13.892 -6.223 1.00 0.00 O ATOM 801 CB THR A 469 43.672 13.235 -2.932 1.00 0.00 C ATOM 802 OG1 THR A 469 43.480 12.045 -2.145 1.00 0.00 O ATOM 803 CG2 THR A 469 43.376 14.451 -2.066 1.00 0.00 C ATOM 0 H THR A 469 43.777 11.638 -5.087 1.00 0.00 H new ATOM 0 HA THR A 469 41.719 13.376 -3.859 1.00 0.00 H new ATOM 0 HB THR A 469 44.702 13.304 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 469 44.066 12.074 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 469 44.045 14.456 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 469 43.529 15.359 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 469 42.342 14.410 -1.722 1.00 0.00 H new ATOM 811 N GLU A 470 42.857 15.501 -4.928 1.00 0.00 N ATOM 812 CA GLU A 470 43.240 16.596 -5.813 1.00 0.00 C ATOM 813 C GLU A 470 44.733 16.568 -6.101 1.00 0.00 C ATOM 814 O GLU A 470 45.544 16.242 -5.216 1.00 0.00 O ATOM 815 CB GLU A 470 42.828 17.931 -5.201 1.00 0.00 C ATOM 816 CG GLU A 470 43.329 18.136 -3.791 1.00 0.00 C ATOM 817 CD GLU A 470 42.586 19.227 -3.067 1.00 0.00 C ATOM 818 OE1 GLU A 470 41.379 19.042 -2.783 1.00 0.00 O ATOM 819 OE2 GLU A 470 43.193 20.267 -2.771 1.00 0.00 O ATOM 0 H GLU A 470 42.336 15.793 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 470 42.719 16.473 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.201 18.739 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 470 41.740 18.001 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 470 43.231 17.204 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 470 44.391 18.381 -3.818 1.00 0.00 H new ATOM 826 N TRP A 471 45.089 16.909 -7.340 1.00 0.00 N ATOM 827 CA TRP A 471 46.470 16.848 -7.789 1.00 0.00 C ATOM 828 C TRP A 471 47.391 17.605 -6.841 1.00 0.00 C ATOM 829 O TRP A 471 47.165 18.775 -6.522 1.00 0.00 O ATOM 830 CB TRP A 471 46.612 17.343 -9.252 1.00 0.00 C ATOM 831 CG TRP A 471 46.742 18.835 -9.430 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.895 19.523 -9.680 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.695 19.816 -9.381 1.00 0.00 C ATOM 834 NE1 TRP A 471 47.630 20.862 -9.789 1.00 0.00 N ATOM 835 CE2 TRP A 471 46.290 21.071 -9.610 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.317 19.757 -9.166 1.00 0.00 C ATOM 837 CZ2 TRP A 471 45.557 22.252 -9.633 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.589 20.931 -9.189 1.00 0.00 C ATOM 839 CH2 TRP A 471 44.209 22.162 -9.421 1.00 0.00 C ATOM 0 H TRP A 471 44.432 17.231 -8.050 1.00 0.00 H new ATOM 0 HA TRP A 471 46.779 15.803 -7.774 1.00 0.00 H new ATOM 0 HB2 TRP A 471 47.487 16.866 -9.694 1.00 0.00 H new ATOM 0 HB3 TRP A 471 45.744 17.003 -9.817 1.00 0.00 H new ATOM 0 HD1 TRP A 471 48.873 19.076 -9.778 1.00 0.00 H new ATOM 0 HE1 TRP A 471 48.322 21.588 -9.974 1.00 0.00 H new ATOM 0 HE3 TRP A 471 43.829 18.811 -8.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 46.034 23.204 -9.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.522 20.897 -9.025 1.00 0.00 H new ATOM 0 HH2 TRP A 471 43.611 23.061 -9.433 1.00 0.00 H new ATOM 850 N THR A 472 48.397 16.918 -6.369 1.00 0.00 N ATOM 851 CA THR A 472 49.327 17.486 -5.432 1.00 0.00 C ATOM 852 C THR A 472 50.600 17.913 -6.155 1.00 0.00 C ATOM 853 O THR A 472 51.059 17.228 -7.073 1.00 0.00 O ATOM 854 CB THR A 472 49.663 16.452 -4.338 1.00 0.00 C ATOM 855 OG1 THR A 472 48.453 15.800 -3.923 1.00 0.00 O ATOM 856 CG2 THR A 472 50.303 17.120 -3.131 1.00 0.00 C ATOM 0 H THR A 472 48.594 15.950 -6.623 1.00 0.00 H new ATOM 0 HA THR A 472 48.875 18.362 -4.967 1.00 0.00 H new ATOM 0 HB THR A 472 50.368 15.730 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 472 48.659 15.140 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 472 50.529 16.367 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 472 51.224 17.616 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 472 49.615 17.856 -2.715 1.00 0.00 H new ATOM 864 N ARG A 473 51.173 19.046 -5.751 1.00 0.00 N ATOM 865 CA ARG A 473 52.401 19.529 -6.376 1.00 0.00 C ATOM 866 C ARG A 473 53.568 18.614 -6.037 1.00 0.00 C ATOM 867 O ARG A 473 54.579 18.599 -6.733 1.00 0.00 O ATOM 868 CB ARG A 473 52.718 20.981 -5.984 1.00 0.00 C ATOM 869 CG ARG A 473 51.828 22.027 -6.653 1.00 0.00 C ATOM 870 CD ARG A 473 50.421 22.047 -6.074 1.00 0.00 C ATOM 871 NE ARG A 473 50.411 22.460 -4.668 1.00 0.00 N ATOM 872 CZ ARG A 473 49.469 23.229 -4.116 1.00 0.00 C ATOM 873 NH1 ARG A 473 48.446 23.662 -4.843 1.00 0.00 N ATOM 874 NH2 ARG A 473 49.549 23.559 -2.836 1.00 0.00 N ATOM 0 H ARG A 473 50.812 19.639 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 473 52.243 19.514 -7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 473 52.624 21.081 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 473 53.757 21.193 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 473 52.280 23.012 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 473 51.775 21.824 -7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 473 49.799 22.727 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 473 49.978 21.055 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 473 51.174 22.139 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 473 48.377 23.408 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 473 47.729 24.249 -4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 473 50.330 23.226 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 473 48.829 24.146 -2.415 1.00 0.00 H new ATOM 888 N ASP A 474 53.414 17.853 -4.959 1.00 0.00 N ATOM 889 CA ASP A 474 54.408 16.861 -4.561 1.00 0.00 C ATOM 890 C ASP A 474 54.459 15.742 -5.595 1.00 0.00 C ATOM 891 O ASP A 474 55.535 15.264 -5.965 1.00 0.00 O ATOM 892 CB ASP A 474 54.068 16.289 -3.181 1.00 0.00 C ATOM 893 CG ASP A 474 55.020 15.187 -2.751 1.00 0.00 C ATOM 894 OD1 ASP A 474 56.098 15.507 -2.204 1.00 0.00 O ATOM 895 OD2 ASP A 474 54.686 14.000 -2.947 1.00 0.00 O ATOM 0 H ASP A 474 52.604 17.905 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 474 55.385 17.342 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.092 17.092 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 474 53.050 15.899 -3.195 1.00 0.00 H new ATOM 900 N CYS A 475 53.279 15.338 -6.067 1.00 0.00 N ATOM 901 CA CYS A 475 53.162 14.319 -7.102 1.00 0.00 C ATOM 902 C CYS A 475 53.730 14.841 -8.427 1.00 0.00 C ATOM 903 O CYS A 475 54.313 14.085 -9.207 1.00 0.00 O ATOM 904 CB CYS A 475 51.686 13.921 -7.287 1.00 0.00 C ATOM 905 SG CYS A 475 50.903 13.117 -5.835 1.00 0.00 S ATOM 0 H CYS A 475 52.385 15.707 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 475 53.732 13.442 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 475 51.115 14.814 -7.539 1.00 0.00 H new ATOM 0 HB3 CYS A 475 51.613 13.245 -8.139 1.00 0.00 H new ATOM 910 N MET A 476 53.546 16.134 -8.668 1.00 0.00 N ATOM 911 CA MET A 476 54.027 16.783 -9.888 1.00 0.00 C ATOM 912 C MET A 476 55.511 16.510 -10.120 1.00 0.00 C ATOM 913 O MET A 476 56.365 16.942 -9.342 1.00 0.00 O ATOM 914 CB MET A 476 53.789 18.295 -9.826 1.00 0.00 C ATOM 915 CG MET A 476 54.322 19.050 -11.039 1.00 0.00 C ATOM 916 SD MET A 476 54.168 20.839 -10.881 1.00 0.00 S ATOM 917 CE MET A 476 52.385 21.027 -10.796 1.00 0.00 C ATOM 0 H MET A 476 53.061 16.763 -8.027 1.00 0.00 H new ATOM 0 HA MET A 476 53.464 16.362 -10.721 1.00 0.00 H new ATOM 0 HB2 MET A 476 52.719 18.482 -9.734 1.00 0.00 H new ATOM 0 HB3 MET A 476 54.260 18.691 -8.927 1.00 0.00 H new ATOM 0 HG2 MET A 476 55.371 18.793 -11.187 1.00 0.00 H new ATOM 0 HG3 MET A 476 53.785 18.722 -11.929 1.00 0.00 H new ATOM 0 HE1 MET A 476 52.121 22.071 -10.964 1.00 0.00 H new ATOM 0 HE2 MET A 476 51.917 20.407 -11.560 1.00 0.00 H new ATOM 0 HE3 MET A 476 52.033 20.718 -9.812 1.00 0.00 H new ATOM 927 N GLY A 477 55.807 15.795 -11.186 1.00 0.00 N ATOM 928 CA GLY A 477 57.180 15.500 -11.511 1.00 0.00 C ATOM 929 C GLY A 477 57.478 14.020 -11.488 1.00 0.00 C ATOM 930 O GLY A 477 58.426 13.569 -12.121 1.00 0.00 O ATOM 0 H GLY A 477 55.119 15.412 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 477 57.409 15.897 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 477 57.834 16.009 -10.804 1.00 0.00 H new ATOM 934 N ALA A 478 56.668 13.264 -10.769 1.00 0.00 N ATOM 935 CA ALA A 478 56.879 11.826 -10.646 1.00 0.00 C ATOM 936 C ALA A 478 55.553 11.096 -10.481 1.00 0.00 C ATOM 937 O ALA A 478 55.484 10.060 -9.811 1.00 0.00 O ATOM 938 CB ALA A 478 57.775 11.548 -9.447 1.00 0.00 C ATOM 0 H ALA A 478 55.858 13.618 -10.260 1.00 0.00 H new ATOM 0 HA ALA A 478 57.358 11.463 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 478 57.934 10.474 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 478 58.734 12.046 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 478 57.299 11.925 -8.542 1.00 0.00 H new ATOM 944 N HIS A 479 54.507 11.607 -11.110 1.00 0.00 N ATOM 945 CA HIS A 479 53.185 11.024 -10.931 1.00 0.00 C ATOM 946 C HIS A 479 52.307 11.192 -12.176 1.00 0.00 C ATOM 947 O HIS A 479 51.227 10.613 -12.254 1.00 0.00 O ATOM 948 CB HIS A 479 52.525 11.696 -9.740 1.00 0.00 C ATOM 949 CG HIS A 479 51.470 10.904 -9.048 1.00 0.00 C ATOM 950 ND1 HIS A 479 50.306 10.493 -9.639 1.00 0.00 N ATOM 951 CD2 HIS A 479 51.395 10.513 -7.756 1.00 0.00 C ATOM 952 CE1 HIS A 479 49.564 9.892 -8.706 1.00 0.00 C ATOM 953 NE2 HIS A 479 50.182 9.878 -7.543 1.00 0.00 N ATOM 0 H HIS A 479 54.544 12.410 -11.738 1.00 0.00 H new ATOM 0 HA HIS A 479 53.297 9.953 -10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 479 53.299 11.947 -9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 479 52.086 12.636 -10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 479 52.159 10.670 -7.009 1.00 0.00 H new ATOM 0 HE1 HIS A 479 48.585 9.472 -8.882 1.00 0.00 H new ATOM 0 HE2 HIS A 479 49.839 9.482 -6.668 1.00 0.00 H new ATOM 961 N TRP A 480 52.762 11.975 -13.144 1.00 0.00 N ATOM 962 CA TRP A 480 51.971 12.200 -14.353 1.00 0.00 C ATOM 963 C TRP A 480 52.125 11.037 -15.317 1.00 0.00 C ATOM 964 O TRP A 480 51.328 10.875 -16.238 1.00 0.00 O ATOM 965 CB TRP A 480 52.365 13.494 -15.052 1.00 0.00 C ATOM 966 CG TRP A 480 52.303 14.727 -14.194 1.00 0.00 C ATOM 967 CD1 TRP A 480 53.188 15.755 -14.224 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.320 15.074 -13.190 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.832 16.719 -13.323 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.692 16.331 -12.675 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.163 14.456 -12.677 1.00 0.00 C ATOM 972 CZ2 TRP A 480 50.962 16.979 -11.686 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.446 15.110 -11.695 1.00 0.00 C ATOM 974 CH2 TRP A 480 49.848 16.357 -11.212 1.00 0.00 C ATOM 0 H TRP A 480 53.659 12.460 -13.121 1.00 0.00 H new ATOM 0 HA TRP A 480 50.929 12.281 -14.044 1.00 0.00 H new ATOM 0 HB2 TRP A 480 53.380 13.387 -15.435 1.00 0.00 H new ATOM 0 HB3 TRP A 480 51.713 13.637 -15.914 1.00 0.00 H new ATOM 0 HD1 TRP A 480 54.053 15.805 -14.869 1.00 0.00 H new ATOM 0 HE1 TRP A 480 53.337 17.590 -13.160 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.844 13.492 -13.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 51.268 17.943 -11.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.557 14.648 -11.292 1.00 0.00 H new ATOM 0 HH2 TRP A 480 49.261 16.839 -10.444 1.00 0.00 H new ATOM 985 N PHE A 481 53.173 10.253 -15.105 1.00 0.00 N ATOM 986 CA PHE A 481 53.452 9.050 -15.892 1.00 0.00 C ATOM 987 C PHE A 481 54.772 8.474 -15.442 1.00 0.00 C ATOM 988 O PHE A 481 54.905 7.266 -15.236 1.00 0.00 O ATOM 989 CB PHE A 481 53.498 9.352 -17.400 1.00 0.00 C ATOM 990 CG PHE A 481 53.439 8.115 -18.259 1.00 0.00 C ATOM 991 CD1 PHE A 481 52.218 7.561 -18.610 1.00 0.00 C ATOM 992 CD2 PHE A 481 54.600 7.508 -18.713 1.00 0.00 C ATOM 993 CE1 PHE A 481 52.155 6.427 -19.396 1.00 0.00 C ATOM 994 CE2 PHE A 481 54.542 6.372 -19.499 1.00 0.00 C ATOM 995 CZ PHE A 481 53.318 5.832 -19.842 1.00 0.00 C ATOM 0 H PHE A 481 53.863 10.432 -14.376 1.00 0.00 H new ATOM 0 HA PHE A 481 52.647 8.333 -15.729 1.00 0.00 H new ATOM 0 HB2 PHE A 481 52.664 10.005 -17.658 1.00 0.00 H new ATOM 0 HB3 PHE A 481 54.413 9.899 -17.626 1.00 0.00 H new ATOM 0 HD1 PHE A 481 51.304 8.022 -18.265 1.00 0.00 H new ATOM 0 HD2 PHE A 481 55.560 7.927 -18.450 1.00 0.00 H new ATOM 0 HE1 PHE A 481 51.196 6.006 -19.661 1.00 0.00 H new ATOM 0 HE2 PHE A 481 55.453 5.907 -19.845 1.00 0.00 H new ATOM 0 HZ PHE A 481 53.271 4.946 -20.458 1.00 0.00 H new ATOM 1005 N GLY A 482 55.739 9.348 -15.277 1.00 0.00 N ATOM 1006 CA GLY A 482 57.038 8.950 -14.825 1.00 0.00 C ATOM 1007 C GLY A 482 58.019 10.078 -14.959 1.00 0.00 C ATOM 1008 O GLY A 482 59.231 9.816 -15.041 1.00 0.00 O ATOM 1009 OXT GLY A 482 57.570 11.243 -15.010 1.00 0.00 O ATOM 0 H GLY A 482 55.641 10.348 -15.453 1.00 0.00 H new ATOM 0 HA2 GLY A 482 56.984 8.631 -13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 482 57.382 8.093 -15.403 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.665 15.864 -10.869 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 49.213 11.765 -6.607 1.00 0.00 ZN