USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 428 THR OG1 : rot -32:sc= 0.577 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot 180:sc= 0.27 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ -166:sc= -0.113 (180deg=-0.429) USER MOD Single : A 438 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.19) USER MOD Single : A 441 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 443 THR OG1 : rot 91:sc= 0 USER MOD Single : A 449 CYS SG : rot 180:sc= -0.333 USER MOD Single : A 450 MET CE :methyl -167:sc= -0.0055 (180deg=-0.21) USER MOD Single : A 451 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-13!) USER MOD Single : A 452 MET CE :methyl -119:sc= -2.1 (180deg=-2.43!) USER MOD Single : A 455 THR OG1 : rot -4:sc= 0.881 USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=-0.3) 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 -137:sc= -0.26 (180deg=-1) USER MOD Single : A 479 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.558 -27.380 -2.631 1.00 0.00 N ATOM 2 CA GLY A -1 6.790 -27.458 -4.085 1.00 0.00 C ATOM 3 C GLY A -1 7.997 -26.657 -4.498 1.00 0.00 C ATOM 4 O GLY A -1 7.962 -25.429 -4.488 1.00 0.00 O ATOM 0 H1 GLY A -1 5.720 -27.943 -2.383 1.00 0.00 H new ATOM 0 H2 GLY A -1 7.387 -27.753 -2.127 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.403 -26.389 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.926 -28.499 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A -1 5.911 -27.091 -4.614 1.00 0.00 H new ATOM 10 N SER A 0 9.067 -27.345 -4.852 1.00 0.00 N ATOM 11 CA SER A 0 10.304 -26.699 -5.243 1.00 0.00 C ATOM 12 C SER A 0 10.176 -26.065 -6.621 1.00 0.00 C ATOM 13 O SER A 0 9.946 -26.754 -7.616 1.00 0.00 O ATOM 14 CB SER A 0 11.454 -27.711 -5.231 1.00 0.00 C ATOM 15 OG SER A 0 12.687 -27.108 -5.604 1.00 0.00 O ATOM 0 H SER A 0 9.102 -28.364 -4.876 1.00 0.00 H new ATOM 0 HA SER A 0 10.518 -25.908 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 0 11.547 -28.145 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.227 -28.529 -5.915 1.00 0.00 H new ATOM 0 HG SER A 0 13.399 -27.781 -5.584 1.00 0.00 H new ATOM 21 N ALA A 417 10.309 -24.756 -6.668 1.00 0.00 N ATOM 22 CA ALA A 417 10.250 -24.025 -7.912 1.00 0.00 C ATOM 23 C ALA A 417 11.558 -23.290 -8.133 1.00 0.00 C ATOM 24 O ALA A 417 11.897 -22.367 -7.387 1.00 0.00 O ATOM 25 CB ALA A 417 9.080 -23.049 -7.902 1.00 0.00 C ATOM 0 H ALA A 417 10.461 -24.172 -5.846 1.00 0.00 H new ATOM 0 HA ALA A 417 10.096 -24.727 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 417 9.051 -22.507 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 417 8.148 -23.599 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 417 9.203 -22.342 -7.082 1.00 0.00 H new ATOM 31 N GLU A 418 12.308 -23.712 -9.128 1.00 0.00 N ATOM 32 CA GLU A 418 13.590 -23.101 -9.419 1.00 0.00 C ATOM 33 C GLU A 418 13.550 -22.349 -10.741 1.00 0.00 C ATOM 34 O GLU A 418 12.774 -22.687 -11.638 1.00 0.00 O ATOM 35 CB GLU A 418 14.696 -24.156 -9.424 1.00 0.00 C ATOM 36 CG GLU A 418 14.486 -25.279 -10.421 1.00 0.00 C ATOM 37 CD GLU A 418 15.550 -26.341 -10.316 1.00 0.00 C ATOM 38 OE1 GLU A 418 16.618 -26.184 -10.945 1.00 0.00 O ATOM 39 OE2 GLU A 418 15.327 -27.344 -9.596 1.00 0.00 O ATOM 0 H GLU A 418 12.053 -24.478 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 418 13.809 -22.378 -8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 418 15.646 -23.668 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 418 14.778 -24.584 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 418 13.508 -25.730 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 418 14.482 -24.870 -11.431 1.00 0.00 H new ATOM 46 N ALA A 419 14.382 -21.331 -10.854 1.00 0.00 N ATOM 47 CA ALA A 419 14.428 -20.512 -12.053 1.00 0.00 C ATOM 48 C ALA A 419 15.447 -21.046 -13.055 1.00 0.00 C ATOM 49 O ALA A 419 15.988 -22.144 -12.884 1.00 0.00 O ATOM 50 CB ALA A 419 14.749 -19.072 -11.691 1.00 0.00 C ATOM 0 H ALA A 419 15.039 -21.049 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 419 13.446 -20.552 -12.524 1.00 0.00 H new ATOM 0 HB1 ALA A 419 14.781 -18.467 -12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 419 13.980 -18.685 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 419 15.717 -19.029 -11.192 1.00 0.00 H new ATOM 56 N ARG A 420 15.698 -20.266 -14.090 1.00 0.00 N ATOM 57 CA ARG A 420 16.635 -20.631 -15.131 1.00 0.00 C ATOM 58 C ARG A 420 17.941 -19.858 -14.950 1.00 0.00 C ATOM 59 O ARG A 420 18.011 -18.665 -15.245 1.00 0.00 O ATOM 60 CB ARG A 420 16.018 -20.325 -16.501 1.00 0.00 C ATOM 61 CG ARG A 420 16.859 -20.760 -17.687 1.00 0.00 C ATOM 62 CD ARG A 420 17.089 -22.260 -17.692 1.00 0.00 C ATOM 63 NE ARG A 420 15.834 -23.013 -17.650 1.00 0.00 N ATOM 64 CZ ARG A 420 15.706 -24.275 -18.058 1.00 0.00 C ATOM 65 NH1 ARG A 420 16.747 -24.918 -18.571 1.00 0.00 N ATOM 66 NH2 ARG A 420 14.537 -24.895 -17.953 1.00 0.00 N ATOM 0 H ARG A 420 15.255 -19.358 -14.231 1.00 0.00 H new ATOM 0 HA ARG A 420 16.852 -21.697 -15.069 1.00 0.00 H new ATOM 0 HB2 ARG A 420 15.046 -20.814 -16.564 1.00 0.00 H new ATOM 0 HB3 ARG A 420 15.841 -19.252 -16.573 1.00 0.00 H new ATOM 0 HG2 ARG A 420 16.364 -20.465 -18.612 1.00 0.00 H new ATOM 0 HG3 ARG A 420 17.819 -20.245 -17.661 1.00 0.00 H new ATOM 0 HD2 ARG A 420 17.647 -22.537 -18.586 1.00 0.00 H new ATOM 0 HD3 ARG A 420 17.704 -22.534 -16.835 1.00 0.00 H new ATOM 0 HE ARG A 420 15.006 -22.542 -17.286 1.00 0.00 H new ATOM 0 HH11 ARG A 420 17.648 -24.446 -18.654 1.00 0.00 H new ATOM 0 HH12 ARG A 420 16.647 -25.884 -18.883 1.00 0.00 H new ATOM 0 HH21 ARG A 420 13.734 -24.405 -17.559 1.00 0.00 H new ATOM 0 HH22 ARG A 420 14.442 -25.861 -18.266 1.00 0.00 H new ATOM 80 N TRP A 421 18.959 -20.530 -14.458 1.00 0.00 N ATOM 81 CA TRP A 421 20.234 -19.882 -14.192 1.00 0.00 C ATOM 82 C TRP A 421 21.207 -20.036 -15.344 1.00 0.00 C ATOM 83 O TRP A 421 21.636 -21.151 -15.674 1.00 0.00 O ATOM 84 CB TRP A 421 20.861 -20.415 -12.909 1.00 0.00 C ATOM 85 CG TRP A 421 20.086 -20.071 -11.685 1.00 0.00 C ATOM 86 CD1 TRP A 421 20.076 -18.875 -11.032 1.00 0.00 C ATOM 87 CD2 TRP A 421 19.211 -20.931 -10.963 1.00 0.00 C ATOM 88 NE1 TRP A 421 19.241 -18.939 -9.944 1.00 0.00 N ATOM 89 CE2 TRP A 421 18.698 -20.192 -9.881 1.00 0.00 C ATOM 90 CE3 TRP A 421 18.808 -22.254 -11.126 1.00 0.00 C ATOM 91 CZ2 TRP A 421 17.807 -20.735 -8.969 1.00 0.00 C ATOM 92 CZ3 TRP A 421 17.922 -22.792 -10.219 1.00 0.00 C ATOM 93 CH2 TRP A 421 17.430 -22.033 -9.153 1.00 0.00 C ATOM 0 H TRP A 421 18.933 -21.524 -14.233 1.00 0.00 H new ATOM 0 HA TRP A 421 20.024 -18.819 -14.072 1.00 0.00 H new ATOM 0 HB2 TRP A 421 20.951 -21.499 -12.980 1.00 0.00 H new ATOM 0 HB3 TRP A 421 21.871 -20.017 -12.814 1.00 0.00 H new ATOM 0 HD1 TRP A 421 20.642 -18.004 -11.327 1.00 0.00 H new ATOM 0 HE1 TRP A 421 19.056 -18.178 -9.291 1.00 0.00 H new ATOM 0 HE3 TRP A 421 19.183 -22.847 -11.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 17.425 -20.152 -8.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 17.602 -23.817 -10.333 1.00 0.00 H new ATOM 0 HH2 TRP A 421 16.736 -22.484 -8.460 1.00 0.00 H new ATOM 104 N ASP A 422 21.545 -18.916 -15.951 1.00 0.00 N ATOM 105 CA ASP A 422 22.517 -18.864 -17.030 1.00 0.00 C ATOM 106 C ASP A 422 22.954 -17.427 -17.262 1.00 0.00 C ATOM 107 O ASP A 422 22.144 -16.561 -17.595 1.00 0.00 O ATOM 108 CB ASP A 422 21.979 -19.502 -18.335 1.00 0.00 C ATOM 109 CG ASP A 422 20.767 -18.797 -18.915 1.00 0.00 C ATOM 110 OD1 ASP A 422 19.631 -19.155 -18.542 1.00 0.00 O ATOM 111 OD2 ASP A 422 20.942 -17.904 -19.777 1.00 0.00 O ATOM 0 H ASP A 422 21.150 -18.007 -15.709 1.00 0.00 H new ATOM 0 HA ASP A 422 23.382 -19.455 -16.730 1.00 0.00 H new ATOM 0 HB2 ASP A 422 22.775 -19.506 -19.080 1.00 0.00 H new ATOM 0 HB3 ASP A 422 21.721 -20.543 -18.139 1.00 0.00 H new ATOM 116 N GLU A 423 24.226 -17.169 -17.044 1.00 0.00 N ATOM 117 CA GLU A 423 24.776 -15.840 -17.211 1.00 0.00 C ATOM 118 C GLU A 423 26.202 -15.927 -17.727 1.00 0.00 C ATOM 119 O GLU A 423 26.725 -17.024 -17.940 1.00 0.00 O ATOM 120 CB GLU A 423 24.731 -15.054 -15.879 1.00 0.00 C ATOM 121 CG GLU A 423 25.679 -15.565 -14.784 1.00 0.00 C ATOM 122 CD GLU A 423 25.347 -16.961 -14.287 1.00 0.00 C ATOM 123 OE1 GLU A 423 24.449 -17.098 -13.434 1.00 0.00 O ATOM 124 OE2 GLU A 423 26.001 -17.927 -14.733 1.00 0.00 O ATOM 0 H GLU A 423 24.905 -17.870 -16.748 1.00 0.00 H new ATOM 0 HA GLU A 423 24.169 -15.305 -17.941 1.00 0.00 H new ATOM 0 HB2 GLU A 423 24.968 -14.010 -16.084 1.00 0.00 H new ATOM 0 HB3 GLU A 423 23.711 -15.080 -15.495 1.00 0.00 H new ATOM 0 HG2 GLU A 423 26.699 -15.559 -15.168 1.00 0.00 H new ATOM 0 HG3 GLU A 423 25.652 -14.874 -13.942 1.00 0.00 H new ATOM 131 N ALA A 424 26.822 -14.783 -17.947 1.00 0.00 N ATOM 132 CA ALA A 424 28.191 -14.737 -18.413 1.00 0.00 C ATOM 133 C ALA A 424 28.962 -13.644 -17.687 1.00 0.00 C ATOM 134 O ALA A 424 29.020 -12.497 -18.140 1.00 0.00 O ATOM 135 CB ALA A 424 28.238 -14.522 -19.921 1.00 0.00 C ATOM 0 H ALA A 424 26.394 -13.868 -17.809 1.00 0.00 H new ATOM 0 HA ALA A 424 28.664 -15.694 -18.193 1.00 0.00 H new ATOM 0 HB1 ALA A 424 29.276 -14.490 -20.252 1.00 0.00 H new ATOM 0 HB2 ALA A 424 27.722 -15.342 -20.422 1.00 0.00 H new ATOM 0 HB3 ALA A 424 27.749 -13.580 -20.170 1.00 0.00 H new ATOM 141 N SER A 425 29.529 -13.993 -16.549 1.00 0.00 N ATOM 142 CA SER A 425 30.285 -13.048 -15.760 1.00 0.00 C ATOM 143 C SER A 425 31.780 -13.179 -16.049 1.00 0.00 C ATOM 144 O SER A 425 32.502 -13.923 -15.378 1.00 0.00 O ATOM 145 CB SER A 425 30.002 -13.256 -14.273 1.00 0.00 C ATOM 146 OG SER A 425 28.607 -13.193 -14.012 1.00 0.00 O ATOM 0 H SER A 425 29.478 -14.931 -16.151 1.00 0.00 H new ATOM 0 HA SER A 425 29.975 -12.040 -16.034 1.00 0.00 H new ATOM 0 HB2 SER A 425 30.393 -14.223 -13.955 1.00 0.00 H new ATOM 0 HB3 SER A 425 30.521 -12.495 -13.689 1.00 0.00 H new ATOM 0 HG SER A 425 28.447 -13.330 -13.055 1.00 0.00 H new ATOM 152 N ASN A 426 32.226 -12.483 -17.073 1.00 0.00 N ATOM 153 CA ASN A 426 33.623 -12.493 -17.460 1.00 0.00 C ATOM 154 C ASN A 426 34.147 -11.077 -17.501 1.00 0.00 C ATOM 155 O ASN A 426 33.715 -10.269 -18.321 1.00 0.00 O ATOM 156 CB ASN A 426 33.808 -13.162 -18.829 1.00 0.00 C ATOM 157 CG ASN A 426 33.470 -14.640 -18.814 1.00 0.00 C ATOM 158 OD1 ASN A 426 32.314 -15.028 -19.000 1.00 0.00 O ATOM 159 ND2 ASN A 426 34.467 -15.477 -18.603 1.00 0.00 N ATOM 0 H ASN A 426 31.634 -11.896 -17.660 1.00 0.00 H new ATOM 0 HA ASN A 426 34.184 -13.068 -16.723 1.00 0.00 H new ATOM 0 HB2 ASN A 426 33.178 -12.658 -19.562 1.00 0.00 H new ATOM 0 HB3 ASN A 426 34.841 -13.034 -19.154 1.00 0.00 H new ATOM 0 HD21 ASN A 426 34.295 -16.482 -18.590 1.00 0.00 H new ATOM 0 HD22 ASN A 426 35.410 -15.119 -18.453 1.00 0.00 H new ATOM 166 N VAL A 427 35.061 -10.770 -16.613 1.00 0.00 N ATOM 167 CA VAL A 427 35.617 -9.434 -16.526 1.00 0.00 C ATOM 168 C VAL A 427 37.103 -9.431 -16.856 1.00 0.00 C ATOM 169 O VAL A 427 37.902 -10.107 -16.205 1.00 0.00 O ATOM 170 CB VAL A 427 35.383 -8.802 -15.131 1.00 0.00 C ATOM 171 CG1 VAL A 427 33.916 -8.434 -14.956 1.00 0.00 C ATOM 172 CG2 VAL A 427 35.824 -9.754 -14.023 1.00 0.00 C ATOM 0 H VAL A 427 35.440 -11.430 -15.934 1.00 0.00 H new ATOM 0 HA VAL A 427 35.094 -8.828 -17.265 1.00 0.00 H new ATOM 0 HB VAL A 427 35.984 -7.895 -15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 427 33.767 -7.991 -13.971 1.00 0.00 H new ATOM 0 HG12 VAL A 427 33.627 -7.717 -15.724 1.00 0.00 H new ATOM 0 HG13 VAL A 427 33.303 -9.330 -15.047 1.00 0.00 H new ATOM 0 HG21 VAL A 427 35.650 -9.289 -13.053 1.00 0.00 H new ATOM 0 HG22 VAL A 427 35.252 -10.679 -14.089 1.00 0.00 H new ATOM 0 HG23 VAL A 427 36.886 -9.975 -14.134 1.00 0.00 H new ATOM 182 N THR A 428 37.464 -8.678 -17.868 1.00 0.00 N ATOM 183 CA THR A 428 38.846 -8.573 -18.277 1.00 0.00 C ATOM 184 C THR A 428 39.365 -7.157 -18.009 1.00 0.00 C ATOM 185 O THR A 428 40.462 -6.788 -18.423 1.00 0.00 O ATOM 186 CB THR A 428 39.014 -8.943 -19.781 1.00 0.00 C ATOM 187 OG1 THR A 428 40.399 -8.945 -20.156 1.00 0.00 O ATOM 188 CG2 THR A 428 38.247 -7.978 -20.674 1.00 0.00 C ATOM 0 H THR A 428 36.815 -8.125 -18.427 1.00 0.00 H new ATOM 0 HA THR A 428 39.433 -9.281 -17.692 1.00 0.00 H new ATOM 0 HB THR A 428 38.607 -9.945 -19.916 1.00 0.00 H new ATOM 0 HG1 THR A 428 40.880 -8.270 -19.634 1.00 0.00 H new ATOM 0 HG21 THR A 428 38.383 -8.262 -21.718 1.00 0.00 H new ATOM 0 HG22 THR A 428 37.187 -8.015 -20.423 1.00 0.00 H new ATOM 0 HG23 THR A 428 38.621 -6.966 -20.521 1.00 0.00 H new ATOM 196 N ILE A 429 38.566 -6.373 -17.292 1.00 0.00 N ATOM 197 CA ILE A 429 38.922 -4.999 -16.963 1.00 0.00 C ATOM 198 C ILE A 429 38.464 -4.648 -15.554 1.00 0.00 C ATOM 199 O ILE A 429 37.621 -5.343 -14.970 1.00 0.00 O ATOM 200 CB ILE A 429 38.277 -3.985 -17.950 1.00 0.00 C ATOM 201 CG1 ILE A 429 36.748 -4.148 -17.966 1.00 0.00 C ATOM 202 CG2 ILE A 429 38.854 -4.144 -19.349 1.00 0.00 C ATOM 203 CD1 ILE A 429 36.028 -3.105 -18.798 1.00 0.00 C ATOM 0 H ILE A 429 37.661 -6.670 -16.926 1.00 0.00 H new ATOM 0 HA ILE A 429 40.007 -4.931 -17.036 1.00 0.00 H new ATOM 0 HB ILE A 429 38.511 -2.978 -17.605 1.00 0.00 H new ATOM 0 HG12 ILE A 429 36.502 -5.138 -18.350 1.00 0.00 H new ATOM 0 HG13 ILE A 429 36.377 -4.102 -16.942 1.00 0.00 H new ATOM 0 HG21 ILE A 429 38.386 -3.423 -20.020 1.00 0.00 H new ATOM 0 HG22 ILE A 429 39.929 -3.969 -19.321 1.00 0.00 H new ATOM 0 HG23 ILE A 429 38.660 -5.154 -19.710 1.00 0.00 H new ATOM 0 HD11 ILE A 429 34.954 -3.287 -18.760 1.00 0.00 H new ATOM 0 HD12 ILE A 429 36.242 -2.112 -18.402 1.00 0.00 H new ATOM 0 HD13 ILE A 429 36.369 -3.165 -19.831 1.00 0.00 H new ATOM 215 N LYS A 430 39.031 -3.584 -15.004 1.00 0.00 N ATOM 216 CA LYS A 430 38.612 -3.071 -13.702 1.00 0.00 C ATOM 217 C LYS A 430 37.505 -2.067 -13.932 1.00 0.00 C ATOM 218 O LYS A 430 36.929 -2.019 -15.024 1.00 0.00 O ATOM 219 CB LYS A 430 39.803 -2.390 -12.981 1.00 0.00 C ATOM 220 CG LYS A 430 40.337 -1.133 -13.680 1.00 0.00 C ATOM 221 CD LYS A 430 41.752 -0.796 -13.225 1.00 0.00 C ATOM 222 CE LYS A 430 42.738 -1.900 -13.594 1.00 0.00 C ATOM 223 NZ LYS A 430 44.144 -1.484 -13.387 1.00 0.00 N ATOM 0 H LYS A 430 39.786 -3.055 -15.440 1.00 0.00 H new ATOM 0 HA LYS A 430 38.261 -3.889 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 430 39.495 -2.125 -11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 430 40.615 -3.111 -12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 430 40.328 -1.285 -14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 430 39.677 -0.291 -13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 430 42.068 0.142 -13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 430 41.761 -0.645 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 430 42.531 -2.786 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 430 42.593 -2.181 -14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 44.779 -2.264 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 44.351 -0.654 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 44.290 -1.241 -12.386 1.00 0.00 H new ATOM 237 N VAL A 431 37.179 -1.288 -12.924 1.00 0.00 N ATOM 238 CA VAL A 431 36.235 -0.218 -13.116 1.00 0.00 C ATOM 239 C VAL A 431 36.830 0.788 -14.104 1.00 0.00 C ATOM 240 O VAL A 431 37.785 1.505 -13.789 1.00 0.00 O ATOM 241 CB VAL A 431 35.852 0.477 -11.781 1.00 0.00 C ATOM 242 CG1 VAL A 431 34.857 -0.375 -11.012 1.00 0.00 C ATOM 243 CG2 VAL A 431 37.087 0.727 -10.925 1.00 0.00 C ATOM 0 H VAL A 431 37.549 -1.376 -11.978 1.00 0.00 H new ATOM 0 HA VAL A 431 35.312 -0.636 -13.518 1.00 0.00 H new ATOM 0 HB VAL A 431 35.394 1.437 -12.018 1.00 0.00 H new ATOM 0 HG11 VAL A 431 34.597 0.123 -10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 431 33.958 -0.515 -11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 431 35.302 -1.346 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 431 36.793 1.215 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 431 37.571 -0.223 -10.699 1.00 0.00 H new ATOM 0 HG23 VAL A 431 37.782 1.369 -11.467 1.00 0.00 H new ATOM 253 N SER A 432 36.287 0.802 -15.318 1.00 0.00 N ATOM 254 CA SER A 432 36.810 1.634 -16.386 1.00 0.00 C ATOM 255 C SER A 432 36.639 3.119 -16.075 1.00 0.00 C ATOM 256 O SER A 432 37.223 3.973 -16.740 1.00 0.00 O ATOM 257 CB SER A 432 36.149 1.274 -17.721 1.00 0.00 C ATOM 258 OG SER A 432 37.051 1.471 -18.803 1.00 0.00 O ATOM 0 H SER A 432 35.478 0.240 -15.583 1.00 0.00 H new ATOM 0 HA SER A 432 37.879 1.439 -16.467 1.00 0.00 H new ATOM 0 HB2 SER A 432 35.821 0.235 -17.700 1.00 0.00 H new ATOM 0 HB3 SER A 432 35.259 1.886 -17.868 1.00 0.00 H new ATOM 0 HG SER A 432 36.609 1.234 -19.645 1.00 0.00 H new ATOM 264 N THR A 433 35.843 3.417 -15.071 1.00 0.00 N ATOM 265 CA THR A 433 35.671 4.773 -14.631 1.00 0.00 C ATOM 266 C THR A 433 35.896 4.874 -13.141 1.00 0.00 C ATOM 267 O THR A 433 35.251 4.179 -12.352 1.00 0.00 O ATOM 268 CB THR A 433 34.296 5.343 -15.011 1.00 0.00 C ATOM 269 OG1 THR A 433 33.275 4.358 -14.826 1.00 0.00 O ATOM 270 CG2 THR A 433 34.305 5.820 -16.447 1.00 0.00 C ATOM 0 H THR A 433 35.304 2.729 -14.545 1.00 0.00 H new ATOM 0 HA THR A 433 36.418 5.377 -15.147 1.00 0.00 H new ATOM 0 HB THR A 433 34.083 6.190 -14.359 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.406 4.738 -15.071 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.325 6.221 -16.703 1.00 0.00 H new ATOM 0 HG22 THR A 433 35.059 6.598 -16.567 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.538 4.984 -17.107 1.00 0.00 H new ATOM 278 N LYS A 434 36.815 5.725 -12.765 1.00 0.00 N ATOM 279 CA LYS A 434 37.181 5.889 -11.381 1.00 0.00 C ATOM 280 C LYS A 434 36.534 7.165 -10.839 1.00 0.00 C ATOM 281 O LYS A 434 36.391 8.142 -11.567 1.00 0.00 O ATOM 282 CB LYS A 434 38.715 5.945 -11.254 1.00 0.00 C ATOM 283 CG LYS A 434 39.449 4.753 -11.912 1.00 0.00 C ATOM 284 CD LYS A 434 39.183 3.434 -11.201 1.00 0.00 C ATOM 285 CE LYS A 434 39.788 3.393 -9.804 1.00 0.00 C ATOM 286 NZ LYS A 434 41.235 3.752 -9.802 1.00 0.00 N ATOM 0 H LYS A 434 37.331 6.324 -13.409 1.00 0.00 H new ATOM 0 HA LYS A 434 36.824 5.042 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 434 39.072 6.871 -11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.980 5.982 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.137 4.669 -12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.521 4.949 -11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 434 38.107 3.272 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.591 2.616 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 434 39.245 4.080 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 434 39.663 2.394 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 41.658 3.485 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 41.720 3.245 -10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 41.339 4.777 -9.945 1.00 0.00 H new ATOM 300 N PRO A 435 36.107 7.163 -9.569 1.00 0.00 N ATOM 301 CA PRO A 435 35.416 8.310 -8.967 1.00 0.00 C ATOM 302 C PRO A 435 36.321 9.528 -8.745 1.00 0.00 C ATOM 303 O PRO A 435 37.462 9.398 -8.285 1.00 0.00 O ATOM 304 CB PRO A 435 34.920 7.762 -7.623 1.00 0.00 C ATOM 305 CG PRO A 435 35.862 6.655 -7.299 1.00 0.00 C ATOM 306 CD PRO A 435 36.257 6.046 -8.617 1.00 0.00 C ATOM 0 HA PRO A 435 34.626 8.679 -9.621 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.933 8.532 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.894 7.401 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.735 7.030 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.387 5.915 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.280 5.671 -8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.615 5.205 -8.880 1.00 0.00 H new ATOM 314 N CYS A 436 35.796 10.707 -9.096 1.00 0.00 N ATOM 315 CA CYS A 436 36.477 11.978 -8.869 1.00 0.00 C ATOM 316 C CYS A 436 36.634 12.193 -7.365 1.00 0.00 C ATOM 317 O CYS A 436 35.766 11.795 -6.594 1.00 0.00 O ATOM 318 CB CYS A 436 35.639 13.124 -9.504 1.00 0.00 C ATOM 319 SG CYS A 436 36.185 14.831 -9.120 1.00 0.00 S ATOM 0 H CYS A 436 34.886 10.803 -9.546 1.00 0.00 H new ATOM 0 HA CYS A 436 37.465 11.970 -9.330 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.648 12.996 -10.586 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.605 13.013 -9.179 1.00 0.00 H new ATOM 324 N PRO A 437 37.725 12.825 -6.921 1.00 0.00 N ATOM 325 CA PRO A 437 37.948 13.068 -5.500 1.00 0.00 C ATOM 326 C PRO A 437 37.034 14.171 -4.992 1.00 0.00 C ATOM 327 O PRO A 437 36.928 14.415 -3.786 1.00 0.00 O ATOM 328 CB PRO A 437 39.408 13.525 -5.450 1.00 0.00 C ATOM 329 CG PRO A 437 39.644 14.152 -6.775 1.00 0.00 C ATOM 330 CD PRO A 437 38.811 13.375 -7.754 1.00 0.00 C ATOM 0 HA PRO A 437 37.745 12.194 -4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.575 14.234 -4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 437 40.082 12.685 -5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.357 15.203 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.700 14.112 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.424 14.014 -8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.388 12.585 -8.234 1.00 0.00 H new ATOM 338 N LYS A 438 36.364 14.830 -5.924 1.00 0.00 N ATOM 339 CA LYS A 438 35.500 15.941 -5.602 1.00 0.00 C ATOM 340 C LYS A 438 34.039 15.583 -5.868 1.00 0.00 C ATOM 341 O LYS A 438 33.190 15.687 -4.982 1.00 0.00 O ATOM 342 CB LYS A 438 35.883 17.165 -6.447 1.00 0.00 C ATOM 343 CG LYS A 438 37.389 17.399 -6.592 1.00 0.00 C ATOM 344 CD LYS A 438 38.095 17.504 -5.248 1.00 0.00 C ATOM 345 CE LYS A 438 37.716 18.777 -4.504 1.00 0.00 C ATOM 346 NZ LYS A 438 38.330 18.834 -3.154 1.00 0.00 N ATOM 0 H LYS A 438 36.407 14.607 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 438 35.621 16.172 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.450 17.053 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 438 35.433 18.052 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 438 37.827 16.582 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 438 37.558 18.314 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.842 16.638 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 438 39.174 17.481 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.033 19.644 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 438 36.631 18.834 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 38.117 19.752 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 37.943 18.070 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 39.360 18.720 -3.236 1.00 0.00 H new ATOM 360 N CYS A 439 33.759 15.151 -7.092 1.00 0.00 N ATOM 361 CA CYS A 439 32.395 14.835 -7.502 1.00 0.00 C ATOM 362 C CYS A 439 32.067 13.373 -7.276 1.00 0.00 C ATOM 363 O CYS A 439 30.899 13.011 -7.135 1.00 0.00 O ATOM 364 CB CYS A 439 32.214 15.148 -8.982 1.00 0.00 C ATOM 365 SG CYS A 439 33.002 16.688 -9.519 1.00 0.00 S ATOM 0 H CYS A 439 34.460 15.011 -7.820 1.00 0.00 H new ATOM 0 HA CYS A 439 31.723 15.443 -6.896 1.00 0.00 H new ATOM 0 HB2 CYS A 439 32.618 14.323 -9.568 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.148 15.203 -9.202 1.00 0.00 H new ATOM 370 N ARG A 440 33.099 12.536 -7.270 1.00 0.00 N ATOM 371 CA ARG A 440 32.932 11.084 -7.160 1.00 0.00 C ATOM 372 C ARG A 440 32.193 10.527 -8.370 1.00 0.00 C ATOM 373 O ARG A 440 31.669 9.415 -8.340 1.00 0.00 O ATOM 374 CB ARG A 440 32.237 10.700 -5.863 1.00 0.00 C ATOM 375 CG ARG A 440 33.201 10.544 -4.709 1.00 0.00 C ATOM 376 CD ARG A 440 32.469 10.328 -3.409 1.00 0.00 C ATOM 377 NE ARG A 440 31.836 11.558 -2.924 1.00 0.00 N ATOM 378 CZ ARG A 440 30.543 11.677 -2.593 1.00 0.00 C ATOM 379 NH1 ARG A 440 29.714 10.649 -2.735 1.00 0.00 N ATOM 380 NH2 ARG A 440 30.084 12.829 -2.122 1.00 0.00 N ATOM 0 H ARG A 440 34.071 12.838 -7.341 1.00 0.00 H new ATOM 0 HA ARG A 440 33.926 10.637 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.497 11.461 -5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.696 9.765 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 440 33.866 9.701 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.827 11.433 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 440 31.709 9.558 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 440 33.167 9.959 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 440 32.424 12.386 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 440 30.060 9.761 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 440 28.731 10.748 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 440 30.715 13.623 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 440 29.100 12.921 -1.870 1.00 0.00 H new ATOM 394 N THR A 441 32.189 11.305 -9.439 1.00 0.00 N ATOM 395 CA THR A 441 31.550 10.933 -10.678 1.00 0.00 C ATOM 396 C THR A 441 32.410 9.932 -11.447 1.00 0.00 C ATOM 397 O THR A 441 33.615 9.827 -11.199 1.00 0.00 O ATOM 398 CB THR A 441 31.320 12.185 -11.548 1.00 0.00 C ATOM 399 OG1 THR A 441 32.476 13.039 -11.471 1.00 0.00 O ATOM 400 CG2 THR A 441 30.094 12.950 -11.081 1.00 0.00 C ATOM 0 H THR A 441 32.636 12.222 -9.466 1.00 0.00 H new ATOM 0 HA THR A 441 30.592 10.469 -10.444 1.00 0.00 H new ATOM 0 HB THR A 441 31.158 11.868 -12.578 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.332 13.835 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.952 13.829 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.216 12.308 -11.151 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.233 13.263 -10.046 1.00 0.00 H new ATOM 408 N PRO A 442 31.802 9.163 -12.372 1.00 0.00 N ATOM 409 CA PRO A 442 32.535 8.201 -13.195 1.00 0.00 C ATOM 410 C PRO A 442 33.499 8.901 -14.154 1.00 0.00 C ATOM 411 O PRO A 442 33.123 9.300 -15.262 1.00 0.00 O ATOM 412 CB PRO A 442 31.435 7.465 -13.972 1.00 0.00 C ATOM 413 CG PRO A 442 30.270 8.395 -13.963 1.00 0.00 C ATOM 414 CD PRO A 442 30.357 9.159 -12.673 1.00 0.00 C ATOM 0 HA PRO A 442 33.153 7.533 -12.595 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.753 7.241 -14.990 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.186 6.515 -13.499 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.303 9.070 -14.818 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.331 7.845 -14.027 1.00 0.00 H new ATOM 0 HD2 PRO A 442 29.966 10.171 -12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.783 8.677 -11.881 1.00 0.00 H new ATOM 422 N THR A 443 34.722 9.074 -13.710 1.00 0.00 N ATOM 423 CA THR A 443 35.735 9.718 -14.503 1.00 0.00 C ATOM 424 C THR A 443 36.321 8.738 -15.494 1.00 0.00 C ATOM 425 O THR A 443 36.772 7.652 -15.109 1.00 0.00 O ATOM 426 CB THR A 443 36.859 10.277 -13.604 1.00 0.00 C ATOM 427 OG1 THR A 443 36.307 11.214 -12.674 1.00 0.00 O ATOM 428 CG2 THR A 443 37.939 10.954 -14.431 1.00 0.00 C ATOM 0 H THR A 443 35.040 8.771 -12.789 1.00 0.00 H new ATOM 0 HA THR A 443 35.272 10.545 -15.041 1.00 0.00 H new ATOM 0 HB THR A 443 37.313 9.445 -13.067 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.047 10.746 -11.853 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.716 11.337 -13.770 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.374 10.232 -15.122 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.502 11.779 -14.994 1.00 0.00 H new ATOM 436 N GLU A 444 36.278 9.104 -16.774 1.00 0.00 N ATOM 437 CA GLU A 444 36.821 8.267 -17.825 1.00 0.00 C ATOM 438 C GLU A 444 38.287 8.001 -17.587 1.00 0.00 C ATOM 439 O GLU A 444 39.137 8.864 -17.807 1.00 0.00 O ATOM 440 CB GLU A 444 36.610 8.902 -19.197 1.00 0.00 C ATOM 441 CG GLU A 444 35.158 8.939 -19.633 1.00 0.00 C ATOM 442 CD GLU A 444 34.980 9.546 -21.002 1.00 0.00 C ATOM 443 OE1 GLU A 444 35.191 8.835 -22.007 1.00 0.00 O ATOM 444 OE2 GLU A 444 34.621 10.736 -21.083 1.00 0.00 O ATOM 0 H GLU A 444 35.870 9.979 -17.102 1.00 0.00 H new ATOM 0 HA GLU A 444 36.288 7.317 -17.807 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.002 9.919 -19.181 1.00 0.00 H new ATOM 0 HB3 GLU A 444 37.189 8.349 -19.937 1.00 0.00 H new ATOM 0 HG2 GLU A 444 34.757 7.926 -19.634 1.00 0.00 H new ATOM 0 HG3 GLU A 444 34.579 9.511 -18.908 1.00 0.00 H new ATOM 451 N ARG A 445 38.566 6.818 -17.101 1.00 0.00 N ATOM 452 CA ARG A 445 39.909 6.407 -16.830 1.00 0.00 C ATOM 453 C ARG A 445 40.648 6.147 -18.137 1.00 0.00 C ATOM 454 O ARG A 445 40.489 5.097 -18.768 1.00 0.00 O ATOM 455 CB ARG A 445 39.895 5.169 -15.939 1.00 0.00 C ATOM 456 CG ARG A 445 41.210 4.459 -15.846 1.00 0.00 C ATOM 457 CD ARG A 445 41.031 3.028 -15.399 1.00 0.00 C ATOM 458 NE ARG A 445 40.239 2.261 -16.366 1.00 0.00 N ATOM 459 CZ ARG A 445 40.578 1.057 -16.835 1.00 0.00 C ATOM 460 NH1 ARG A 445 41.712 0.477 -16.441 1.00 0.00 N ATOM 461 NH2 ARG A 445 39.788 0.442 -17.717 1.00 0.00 N ATOM 0 H ARG A 445 37.861 6.114 -16.883 1.00 0.00 H new ATOM 0 HA ARG A 445 40.438 7.200 -16.301 1.00 0.00 H new ATOM 0 HB2 ARG A 445 39.582 5.461 -14.937 1.00 0.00 H new ATOM 0 HB3 ARG A 445 39.146 4.473 -16.317 1.00 0.00 H new ATOM 0 HG2 ARG A 445 41.706 4.480 -16.816 1.00 0.00 H new ATOM 0 HG3 ARG A 445 41.860 4.983 -15.145 1.00 0.00 H new ATOM 0 HD2 ARG A 445 42.007 2.560 -15.273 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.540 3.008 -14.426 1.00 0.00 H new ATOM 0 HE ARG A 445 39.370 2.675 -16.703 1.00 0.00 H new ATOM 0 HH11 ARG A 445 42.325 0.953 -15.779 1.00 0.00 H new ATOM 0 HH12 ARG A 445 41.967 -0.442 -16.802 1.00 0.00 H new ATOM 0 HH21 ARG A 445 38.928 0.891 -18.031 1.00 0.00 H new ATOM 0 HH22 ARG A 445 40.044 -0.477 -18.077 1.00 0.00 H new ATOM 475 N ASP A 446 41.418 7.124 -18.550 1.00 0.00 N ATOM 476 CA ASP A 446 42.173 7.049 -19.785 1.00 0.00 C ATOM 477 C ASP A 446 43.604 6.645 -19.489 1.00 0.00 C ATOM 478 O ASP A 446 44.355 7.404 -18.878 1.00 0.00 O ATOM 479 CB ASP A 446 42.140 8.406 -20.492 1.00 0.00 C ATOM 480 CG ASP A 446 42.811 8.382 -21.844 1.00 0.00 C ATOM 481 OD1 ASP A 446 42.149 8.003 -22.831 1.00 0.00 O ATOM 482 OD2 ASP A 446 44.007 8.749 -21.932 1.00 0.00 O ATOM 0 H ASP A 446 41.542 7.998 -18.040 1.00 0.00 H new ATOM 0 HA ASP A 446 41.725 6.300 -20.438 1.00 0.00 H new ATOM 0 HB2 ASP A 446 41.104 8.722 -20.612 1.00 0.00 H new ATOM 0 HB3 ASP A 446 42.629 9.150 -19.863 1.00 0.00 H new ATOM 487 N GLY A 447 43.984 5.457 -19.937 1.00 0.00 N ATOM 488 CA GLY A 447 45.310 4.928 -19.643 1.00 0.00 C ATOM 489 C GLY A 447 46.423 5.530 -20.490 1.00 0.00 C ATOM 490 O GLY A 447 47.414 4.858 -20.785 1.00 0.00 O ATOM 0 H GLY A 447 43.397 4.843 -20.502 1.00 0.00 H new ATOM 0 HA2 GLY A 447 45.534 5.103 -18.591 1.00 0.00 H new ATOM 0 HA3 GLY A 447 45.299 3.848 -19.791 1.00 0.00 H new ATOM 494 N GLY A 448 46.276 6.782 -20.870 1.00 0.00 N ATOM 495 CA GLY A 448 47.299 7.440 -21.651 1.00 0.00 C ATOM 496 C GLY A 448 48.472 7.863 -20.798 1.00 0.00 C ATOM 497 O GLY A 448 49.626 7.607 -21.139 1.00 0.00 O ATOM 0 H GLY A 448 45.464 7.360 -20.652 1.00 0.00 H new ATOM 0 HA2 GLY A 448 47.645 6.768 -22.437 1.00 0.00 H new ATOM 0 HA3 GLY A 448 46.874 8.314 -22.144 1.00 0.00 H new ATOM 501 N CYS A 449 48.176 8.492 -19.681 1.00 0.00 N ATOM 502 CA CYS A 449 49.192 8.951 -18.762 1.00 0.00 C ATOM 503 C CYS A 449 48.753 8.698 -17.326 1.00 0.00 C ATOM 504 O CYS A 449 47.643 8.220 -17.086 1.00 0.00 O ATOM 505 CB CYS A 449 49.458 10.442 -18.980 1.00 0.00 C ATOM 506 SG CYS A 449 47.977 11.474 -18.928 1.00 0.00 S ATOM 0 H CYS A 449 47.222 8.699 -19.385 1.00 0.00 H new ATOM 0 HA CYS A 449 50.113 8.398 -18.947 1.00 0.00 H new ATOM 0 HB2 CYS A 449 50.156 10.790 -18.219 1.00 0.00 H new ATOM 0 HB3 CYS A 449 49.946 10.575 -19.945 1.00 0.00 H new ATOM 0 HG CYS A 449 48.307 12.717 -19.121 1.00 0.00 H new ATOM 512 N MET A 450 49.615 9.029 -16.378 1.00 0.00 N ATOM 513 CA MET A 450 49.310 8.860 -14.962 1.00 0.00 C ATOM 514 C MET A 450 48.558 10.100 -14.428 1.00 0.00 C ATOM 515 O MET A 450 48.667 10.471 -13.253 1.00 0.00 O ATOM 516 CB MET A 450 50.613 8.625 -14.173 1.00 0.00 C ATOM 517 CG MET A 450 50.398 8.221 -12.719 1.00 0.00 C ATOM 518 SD MET A 450 51.929 8.068 -11.783 1.00 0.00 S ATOM 519 CE MET A 450 52.644 6.632 -12.546 1.00 0.00 C ATOM 0 H MET A 450 50.539 9.419 -16.563 1.00 0.00 H new ATOM 0 HA MET A 450 48.665 7.991 -14.833 1.00 0.00 H new ATOM 0 HB2 MET A 450 51.192 7.848 -14.672 1.00 0.00 H new ATOM 0 HB3 MET A 450 51.211 9.536 -14.201 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.758 8.959 -12.236 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.866 7.270 -12.689 1.00 0.00 H new ATOM 0 HE1 MET A 450 53.472 6.271 -11.937 1.00 0.00 H new ATOM 0 HE2 MET A 450 51.888 5.851 -12.631 1.00 0.00 H new ATOM 0 HE3 MET A 450 53.010 6.892 -13.539 1.00 0.00 H new ATOM 529 N HIS A 451 47.793 10.721 -15.302 1.00 0.00 N ATOM 530 CA HIS A 451 47.001 11.888 -14.958 1.00 0.00 C ATOM 531 C HIS A 451 45.548 11.652 -15.350 1.00 0.00 C ATOM 532 O HIS A 451 45.244 11.475 -16.529 1.00 0.00 O ATOM 533 CB HIS A 451 47.547 13.114 -15.690 1.00 0.00 C ATOM 534 CG HIS A 451 47.068 14.424 -15.144 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.869 15.197 -14.350 1.00 0.00 N ATOM 536 CD2 HIS A 451 45.892 15.055 -15.329 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.170 16.274 -14.077 1.00 0.00 C ATOM 538 NE2 HIS A 451 45.967 16.238 -14.650 1.00 0.00 N ATOM 0 H HIS A 451 47.701 10.431 -16.276 1.00 0.00 H new ATOM 0 HA HIS A 451 47.057 12.061 -13.883 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.636 13.093 -15.647 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.268 13.049 -16.742 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.052 14.695 -15.904 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.526 17.089 -13.464 1.00 0.00 H new ATOM 0 HE2 HIS A 451 45.243 16.954 -14.593 1.00 0.00 H new ATOM 546 N MET A 452 44.657 11.631 -14.379 1.00 0.00 N ATOM 547 CA MET A 452 43.255 11.431 -14.669 1.00 0.00 C ATOM 548 C MET A 452 42.504 12.748 -14.508 1.00 0.00 C ATOM 549 O MET A 452 42.634 13.431 -13.497 1.00 0.00 O ATOM 550 CB MET A 452 42.653 10.351 -13.768 1.00 0.00 C ATOM 551 CG MET A 452 41.593 9.515 -14.473 1.00 0.00 C ATOM 552 SD MET A 452 40.738 8.355 -13.388 1.00 0.00 S ATOM 553 CE MET A 452 42.021 7.146 -13.099 1.00 0.00 C ATOM 0 H MET A 452 44.878 11.749 -13.390 1.00 0.00 H new ATOM 0 HA MET A 452 43.159 11.090 -15.700 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.449 9.696 -13.413 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.212 10.822 -12.889 1.00 0.00 H new ATOM 0 HG2 MET A 452 40.860 10.182 -14.926 1.00 0.00 H new ATOM 0 HG3 MET A 452 42.063 8.960 -15.285 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.694 6.174 -13.467 1.00 0.00 H new ATOM 0 HE2 MET A 452 42.929 7.446 -13.623 1.00 0.00 H new ATOM 0 HE3 MET A 452 42.224 7.080 -12.030 1.00 0.00 H new ATOM 563 N VAL A 453 41.737 13.109 -15.513 1.00 0.00 N ATOM 564 CA VAL A 453 41.008 14.366 -15.502 1.00 0.00 C ATOM 565 C VAL A 453 39.525 14.125 -15.358 1.00 0.00 C ATOM 566 O VAL A 453 38.954 13.315 -16.093 1.00 0.00 O ATOM 567 CB VAL A 453 41.238 15.151 -16.814 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.511 16.489 -16.785 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.720 15.344 -17.074 1.00 0.00 C ATOM 0 H VAL A 453 41.599 12.549 -16.354 1.00 0.00 H new ATOM 0 HA VAL A 453 41.378 14.942 -14.654 1.00 0.00 H new ATOM 0 HB VAL A 453 40.825 14.564 -17.634 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.690 17.021 -17.720 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.441 16.319 -16.663 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.881 17.086 -15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.857 15.899 -18.002 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.165 15.901 -16.249 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.204 14.371 -17.158 1.00 0.00 H new ATOM 579 N CYS A 454 38.897 14.822 -14.413 1.00 0.00 N ATOM 580 CA CYS A 454 37.464 14.737 -14.260 1.00 0.00 C ATOM 581 C CYS A 454 36.822 15.378 -15.466 1.00 0.00 C ATOM 582 O CYS A 454 36.757 16.605 -15.580 1.00 0.00 O ATOM 583 CB CYS A 454 36.990 15.421 -12.974 1.00 0.00 C ATOM 584 SG CYS A 454 35.211 15.180 -12.611 1.00 0.00 S ATOM 0 H CYS A 454 39.362 15.444 -13.752 1.00 0.00 H new ATOM 0 HA CYS A 454 37.174 13.689 -14.186 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.575 15.042 -12.136 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.193 16.489 -13.047 1.00 0.00 H new ATOM 589 N THR A 455 36.382 14.545 -16.369 1.00 0.00 N ATOM 590 CA THR A 455 35.808 14.980 -17.616 1.00 0.00 C ATOM 591 C THR A 455 34.376 15.508 -17.437 1.00 0.00 C ATOM 592 O THR A 455 33.674 15.782 -18.419 1.00 0.00 O ATOM 593 CB THR A 455 35.873 13.832 -18.662 1.00 0.00 C ATOM 594 OG1 THR A 455 35.096 14.128 -19.829 1.00 0.00 O ATOM 595 CG2 THR A 455 35.425 12.524 -18.051 1.00 0.00 C ATOM 0 H THR A 455 36.412 13.531 -16.259 1.00 0.00 H new ATOM 0 HA THR A 455 36.398 15.817 -17.988 1.00 0.00 H new ATOM 0 HB THR A 455 36.914 13.738 -18.972 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.623 14.976 -19.700 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.479 11.735 -18.801 1.00 0.00 H new ATOM 0 HG22 THR A 455 36.075 12.273 -17.213 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.398 12.620 -17.698 1.00 0.00 H new ATOM 603 N ARG A 456 33.955 15.675 -16.185 1.00 0.00 N ATOM 604 CA ARG A 456 32.658 16.238 -15.899 1.00 0.00 C ATOM 605 C ARG A 456 32.650 17.696 -16.346 1.00 0.00 C ATOM 606 O ARG A 456 33.524 18.475 -15.955 1.00 0.00 O ATOM 607 CB ARG A 456 32.342 16.135 -14.398 1.00 0.00 C ATOM 608 CG ARG A 456 31.028 16.785 -13.995 1.00 0.00 C ATOM 609 CD ARG A 456 30.821 16.748 -12.488 1.00 0.00 C ATOM 610 NE ARG A 456 29.638 17.518 -12.087 1.00 0.00 N ATOM 611 CZ ARG A 456 29.559 18.272 -10.984 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.563 18.305 -10.118 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.460 18.975 -10.738 1.00 0.00 N ATOM 0 H ARG A 456 34.500 15.425 -15.360 1.00 0.00 H new ATOM 0 HA ARG A 456 31.891 15.682 -16.439 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.317 15.083 -14.114 1.00 0.00 H new ATOM 0 HB3 ARG A 456 33.152 16.598 -13.834 1.00 0.00 H new ATOM 0 HG2 ARG A 456 31.013 17.819 -14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.202 16.273 -14.489 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.711 15.714 -12.160 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.703 17.149 -11.989 1.00 0.00 H new ATOM 0 HE ARG A 456 28.818 17.476 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.403 17.753 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.495 18.882 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.676 18.940 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 456 28.400 19.550 -9.897 1.00 0.00 H new ATOM 627 N ALA A 457 31.679 18.055 -17.176 1.00 0.00 N ATOM 628 CA ALA A 457 31.580 19.410 -17.712 1.00 0.00 C ATOM 629 C ALA A 457 31.491 20.448 -16.600 1.00 0.00 C ATOM 630 O ALA A 457 31.948 21.577 -16.753 1.00 0.00 O ATOM 631 CB ALA A 457 30.387 19.526 -18.650 1.00 0.00 C ATOM 0 H ALA A 457 30.944 17.424 -17.495 1.00 0.00 H new ATOM 0 HA ALA A 457 32.490 19.610 -18.277 1.00 0.00 H new ATOM 0 HB1 ALA A 457 30.328 20.542 -19.040 1.00 0.00 H new ATOM 0 HB2 ALA A 457 30.505 18.826 -19.477 1.00 0.00 H new ATOM 0 HB3 ALA A 457 29.472 19.293 -18.105 1.00 0.00 H new ATOM 637 N GLY A 458 30.900 20.061 -15.482 1.00 0.00 N ATOM 638 CA GLY A 458 30.788 20.960 -14.356 1.00 0.00 C ATOM 639 C GLY A 458 31.898 20.763 -13.340 1.00 0.00 C ATOM 640 O GLY A 458 31.690 20.953 -12.142 1.00 0.00 O ATOM 0 H GLY A 458 30.495 19.137 -15.334 1.00 0.00 H new ATOM 0 HA2 GLY A 458 30.807 21.989 -14.714 1.00 0.00 H new ATOM 0 HA3 GLY A 458 29.824 20.809 -13.870 1.00 0.00 H new ATOM 644 N CYS A 459 33.078 20.370 -13.809 1.00 0.00 N ATOM 645 CA CYS A 459 34.212 20.167 -12.925 1.00 0.00 C ATOM 646 C CYS A 459 35.511 20.585 -13.596 1.00 0.00 C ATOM 647 O CYS A 459 36.054 21.662 -13.305 1.00 0.00 O ATOM 648 CB CYS A 459 34.310 18.702 -12.489 1.00 0.00 C ATOM 649 SG CYS A 459 35.459 18.422 -11.105 1.00 0.00 S ATOM 0 H CYS A 459 33.270 20.187 -14.794 1.00 0.00 H new ATOM 0 HA CYS A 459 34.054 20.790 -12.045 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.319 18.351 -12.203 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.628 18.100 -13.340 1.00 0.00 H new ATOM 654 N GLY A 460 35.998 19.737 -14.499 1.00 0.00 N ATOM 655 CA GLY A 460 37.262 19.997 -15.157 1.00 0.00 C ATOM 656 C GLY A 460 38.407 19.965 -14.169 1.00 0.00 C ATOM 657 O GLY A 460 39.341 20.766 -14.257 1.00 0.00 O ATOM 0 H GLY A 460 35.537 18.874 -14.785 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.429 19.254 -15.937 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.227 20.970 -15.647 1.00 0.00 H new ATOM 661 N PHE A 461 38.326 19.052 -13.222 1.00 0.00 N ATOM 662 CA PHE A 461 39.322 18.937 -12.169 1.00 0.00 C ATOM 663 C PHE A 461 40.412 17.950 -12.557 1.00 0.00 C ATOM 664 O PHE A 461 40.142 16.923 -13.173 1.00 0.00 O ATOM 665 CB PHE A 461 38.642 18.483 -10.878 1.00 0.00 C ATOM 666 CG PHE A 461 39.482 18.617 -9.651 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.686 19.858 -9.080 1.00 0.00 C ATOM 668 CD2 PHE A 461 40.055 17.505 -9.058 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.444 19.993 -7.943 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.819 17.633 -7.920 1.00 0.00 C ATOM 671 CZ PHE A 461 41.011 18.881 -7.361 1.00 0.00 C ATOM 0 H PHE A 461 37.571 18.369 -13.158 1.00 0.00 H new ATOM 0 HA PHE A 461 39.786 19.911 -12.018 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.728 19.062 -10.742 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.345 17.440 -10.987 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.244 20.733 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.901 16.528 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 461 40.595 20.969 -7.506 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.266 16.761 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.607 18.985 -6.466 1.00 0.00 H new ATOM 681 N GLU A 462 41.640 18.264 -12.200 1.00 0.00 N ATOM 682 CA GLU A 462 42.756 17.389 -12.490 1.00 0.00 C ATOM 683 C GLU A 462 43.281 16.751 -11.215 1.00 0.00 C ATOM 684 O GLU A 462 43.453 17.426 -10.197 1.00 0.00 O ATOM 685 CB GLU A 462 43.882 18.154 -13.170 1.00 0.00 C ATOM 686 CG GLU A 462 43.482 18.835 -14.463 1.00 0.00 C ATOM 687 CD GLU A 462 44.663 19.471 -15.152 1.00 0.00 C ATOM 688 OE1 GLU A 462 45.445 18.735 -15.783 1.00 0.00 O ATOM 689 OE2 GLU A 462 44.825 20.703 -15.057 1.00 0.00 O ATOM 0 H GLU A 462 41.891 19.121 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 462 42.399 16.609 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.263 18.907 -12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.702 17.465 -13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 462 43.022 18.106 -15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.730 19.596 -14.255 1.00 0.00 H new ATOM 696 N TRP A 463 43.518 15.457 -11.270 1.00 0.00 N ATOM 697 CA TRP A 463 44.055 14.723 -10.143 1.00 0.00 C ATOM 698 C TRP A 463 44.984 13.625 -10.628 1.00 0.00 C ATOM 699 O TRP A 463 44.905 13.204 -11.789 1.00 0.00 O ATOM 700 CB TRP A 463 42.929 14.164 -9.247 1.00 0.00 C ATOM 701 CG TRP A 463 41.761 13.545 -9.982 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.834 14.196 -10.752 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.373 12.165 -9.977 1.00 0.00 C ATOM 704 NE1 TRP A 463 39.907 13.306 -11.231 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.213 12.053 -10.770 1.00 0.00 C ATOM 706 CE3 TRP A 463 41.893 11.010 -9.385 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.567 10.840 -10.980 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.247 9.808 -9.598 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.099 9.732 -10.386 1.00 0.00 C ATOM 0 H TRP A 463 43.344 14.885 -12.096 1.00 0.00 H new ATOM 0 HA TRP A 463 44.635 15.411 -9.528 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.356 13.414 -8.582 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.554 14.971 -8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.833 15.257 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.117 13.539 -11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 463 42.782 11.057 -8.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.678 10.777 -11.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.639 8.909 -9.145 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.620 8.775 -10.530 1.00 0.00 H new ATOM 720 N CYS A 464 45.881 13.172 -9.768 1.00 0.00 N ATOM 721 CA CYS A 464 46.824 12.165 -10.170 1.00 0.00 C ATOM 722 C CYS A 464 46.207 10.777 -10.198 1.00 0.00 C ATOM 723 O CYS A 464 45.167 10.524 -9.607 1.00 0.00 O ATOM 724 CB CYS A 464 48.108 12.212 -9.332 1.00 0.00 C ATOM 725 SG CYS A 464 47.879 12.594 -7.566 1.00 0.00 S ATOM 0 H CYS A 464 45.969 13.486 -8.802 1.00 0.00 H new ATOM 0 HA CYS A 464 47.110 12.396 -11.196 1.00 0.00 H new ATOM 0 HB2 CYS A 464 48.611 11.248 -9.415 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.775 12.958 -9.763 1.00 0.00 H new ATOM 730 N TRP A 465 46.862 9.898 -10.906 1.00 0.00 N ATOM 731 CA TRP A 465 46.387 8.546 -11.112 1.00 0.00 C ATOM 732 C TRP A 465 46.635 7.668 -9.892 1.00 0.00 C ATOM 733 O TRP A 465 45.861 6.760 -9.608 1.00 0.00 O ATOM 734 CB TRP A 465 47.121 7.979 -12.309 1.00 0.00 C ATOM 735 CG TRP A 465 46.617 6.688 -12.836 1.00 0.00 C ATOM 736 CD1 TRP A 465 46.898 5.435 -12.371 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.778 6.524 -13.968 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.263 4.501 -13.148 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.569 5.148 -14.139 1.00 0.00 C ATOM 740 CE3 TRP A 465 45.172 7.418 -14.856 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.787 4.643 -15.162 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.396 6.916 -15.869 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.209 5.540 -16.016 1.00 0.00 C ATOM 0 H TRP A 465 47.751 10.097 -11.364 1.00 0.00 H new ATOM 0 HA TRP A 465 45.310 8.565 -11.280 1.00 0.00 H new ATOM 0 HB2 TRP A 465 47.085 8.714 -13.113 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.170 7.853 -12.039 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.525 5.214 -11.520 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.300 3.491 -13.012 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.312 8.483 -14.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.639 3.580 -15.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.923 7.595 -16.563 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.592 5.176 -16.824 1.00 0.00 H new ATOM 754 N VAL A 466 47.721 7.925 -9.188 1.00 0.00 N ATOM 755 CA VAL A 466 48.071 7.107 -8.044 1.00 0.00 C ATOM 756 C VAL A 466 47.325 7.548 -6.783 1.00 0.00 C ATOM 757 O VAL A 466 46.837 6.713 -6.015 1.00 0.00 O ATOM 758 CB VAL A 466 49.589 7.127 -7.786 1.00 0.00 C ATOM 759 CG1 VAL A 466 49.978 6.085 -6.758 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.350 6.919 -9.077 1.00 0.00 C ATOM 0 H VAL A 466 48.370 8.686 -9.386 1.00 0.00 H new ATOM 0 HA VAL A 466 47.769 6.087 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 466 49.853 8.106 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.055 6.120 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.461 6.289 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.698 5.095 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.421 6.936 -8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.078 5.956 -9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.100 7.715 -9.779 1.00 0.00 H new ATOM 770 N CYS A 467 47.222 8.850 -6.577 1.00 0.00 N ATOM 771 CA CYS A 467 46.559 9.378 -5.396 1.00 0.00 C ATOM 772 C CYS A 467 45.088 9.646 -5.675 1.00 0.00 C ATOM 773 O CYS A 467 44.750 10.279 -6.657 1.00 0.00 O ATOM 774 CB CYS A 467 47.234 10.669 -4.943 1.00 0.00 C ATOM 775 SG CYS A 467 49.049 10.555 -4.776 1.00 0.00 S ATOM 0 H CYS A 467 47.588 9.560 -7.211 1.00 0.00 H new ATOM 0 HA CYS A 467 46.637 8.632 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 467 46.996 11.458 -5.656 1.00 0.00 H new ATOM 0 HB3 CYS A 467 46.811 10.968 -3.984 1.00 0.00 H new ATOM 780 N GLN A 468 44.225 9.179 -4.797 1.00 0.00 N ATOM 781 CA GLN A 468 42.786 9.413 -4.930 1.00 0.00 C ATOM 782 C GLN A 468 42.414 10.735 -4.264 1.00 0.00 C ATOM 783 O GLN A 468 41.307 10.913 -3.745 1.00 0.00 O ATOM 784 CB GLN A 468 42.000 8.259 -4.307 1.00 0.00 C ATOM 785 CG GLN A 468 42.180 6.941 -5.039 1.00 0.00 C ATOM 786 CD GLN A 468 41.317 5.831 -4.477 1.00 0.00 C ATOM 787 OE1 GLN A 468 41.021 5.791 -3.283 1.00 0.00 O ATOM 788 NE2 GLN A 468 40.896 4.929 -5.335 1.00 0.00 N ATOM 0 H GLN A 468 44.488 8.632 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 468 42.531 9.468 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 468 42.312 8.135 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 468 40.941 8.516 -4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 468 41.941 7.081 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 468 43.227 6.642 -4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 468 41.163 4.996 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 468 40.303 4.162 -5.019 1.00 0.00 H new ATOM 797 N THR A 469 43.348 11.660 -4.312 1.00 0.00 N ATOM 798 CA THR A 469 43.200 12.958 -3.715 1.00 0.00 C ATOM 799 C THR A 469 43.590 14.018 -4.748 1.00 0.00 C ATOM 800 O THR A 469 44.236 13.695 -5.746 1.00 0.00 O ATOM 801 CB THR A 469 44.123 13.074 -2.474 1.00 0.00 C ATOM 802 OG1 THR A 469 44.006 11.883 -1.675 1.00 0.00 O ATOM 803 CG2 THR A 469 43.752 14.278 -1.622 1.00 0.00 C ATOM 0 H THR A 469 44.246 11.523 -4.777 1.00 0.00 H new ATOM 0 HA THR A 469 42.167 13.106 -3.400 1.00 0.00 H new ATOM 0 HB THR A 469 45.148 13.197 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 469 44.591 11.956 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 469 44.417 14.332 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 469 43.851 15.187 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 469 42.722 14.178 -1.280 1.00 0.00 H new ATOM 811 N GLU A 470 43.182 15.260 -4.522 1.00 0.00 N ATOM 812 CA GLU A 470 43.516 16.351 -5.425 1.00 0.00 C ATOM 813 C GLU A 470 45.025 16.485 -5.600 1.00 0.00 C ATOM 814 O GLU A 470 45.803 16.176 -4.682 1.00 0.00 O ATOM 815 CB GLU A 470 42.898 17.656 -4.934 1.00 0.00 C ATOM 816 CG GLU A 470 43.179 17.976 -3.484 1.00 0.00 C ATOM 817 CD GLU A 470 42.211 18.994 -2.936 1.00 0.00 C ATOM 818 OE1 GLU A 470 41.028 18.644 -2.717 1.00 0.00 O ATOM 819 OE2 GLU A 470 42.616 20.146 -2.711 1.00 0.00 O ATOM 0 H GLU A 470 42.618 15.536 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 470 43.096 16.122 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.269 18.474 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 470 41.819 17.610 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 470 43.119 17.063 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 470 44.197 18.353 -3.386 1.00 0.00 H new ATOM 826 N TRP A 471 45.426 16.953 -6.779 1.00 0.00 N ATOM 827 CA TRP A 471 46.833 17.052 -7.145 1.00 0.00 C ATOM 828 C TRP A 471 47.646 17.811 -6.095 1.00 0.00 C ATOM 829 O TRP A 471 47.175 18.783 -5.491 1.00 0.00 O ATOM 830 CB TRP A 471 46.996 17.694 -8.541 1.00 0.00 C ATOM 831 CG TRP A 471 47.006 19.202 -8.551 1.00 0.00 C ATOM 832 CD1 TRP A 471 48.110 20.004 -8.603 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.874 20.081 -8.512 1.00 0.00 C ATOM 834 NE1 TRP A 471 47.735 21.323 -8.597 1.00 0.00 N ATOM 835 CE2 TRP A 471 46.372 21.398 -8.541 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.493 19.885 -8.453 1.00 0.00 C ATOM 837 CZ2 TRP A 471 45.536 22.511 -8.515 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.667 20.990 -8.428 1.00 0.00 C ATOM 839 CH2 TRP A 471 44.189 22.289 -8.460 1.00 0.00 C ATOM 0 H TRP A 471 44.785 17.273 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 471 47.228 16.037 -7.186 1.00 0.00 H new ATOM 0 HB2 TRP A 471 47.926 17.336 -8.983 1.00 0.00 H new ATOM 0 HB3 TRP A 471 46.185 17.347 -9.181 1.00 0.00 H new ATOM 0 HD1 TRP A 471 49.130 19.651 -8.643 1.00 0.00 H new ATOM 0 HE1 TRP A 471 48.371 22.120 -8.629 1.00 0.00 H new ATOM 0 HE3 TRP A 471 44.079 18.888 -8.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 45.938 23.513 -8.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.597 20.850 -8.383 1.00 0.00 H new ATOM 0 HH2 TRP A 471 43.514 23.132 -8.441 1.00 0.00 H new ATOM 850 N THR A 472 48.849 17.341 -5.876 1.00 0.00 N ATOM 851 CA THR A 472 49.757 17.934 -4.924 1.00 0.00 C ATOM 852 C THR A 472 50.978 18.485 -5.676 1.00 0.00 C ATOM 853 O THR A 472 51.283 18.017 -6.773 1.00 0.00 O ATOM 854 CB THR A 472 50.198 16.862 -3.898 1.00 0.00 C ATOM 855 OG1 THR A 472 49.034 16.166 -3.416 1.00 0.00 O ATOM 856 CG2 THR A 472 50.928 17.485 -2.718 1.00 0.00 C ATOM 0 H THR A 472 49.230 16.527 -6.359 1.00 0.00 H new ATOM 0 HA THR A 472 49.265 18.748 -4.392 1.00 0.00 H new ATOM 0 HB THR A 472 50.881 16.174 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 472 49.306 15.484 -2.767 1.00 0.00 H new ATOM 0 HG21 THR A 472 51.223 16.703 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 472 51.816 18.007 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 472 50.269 18.192 -2.215 1.00 0.00 H new ATOM 864 N ARG A 473 51.661 19.477 -5.107 1.00 0.00 N ATOM 865 CA ARG A 473 52.832 20.056 -5.765 1.00 0.00 C ATOM 866 C ARG A 473 53.950 19.030 -5.866 1.00 0.00 C ATOM 867 O ARG A 473 54.688 19.002 -6.842 1.00 0.00 O ATOM 868 CB ARG A 473 53.339 21.290 -5.026 1.00 0.00 C ATOM 869 CG ARG A 473 54.428 22.036 -5.785 1.00 0.00 C ATOM 870 CD ARG A 473 55.307 22.861 -4.861 1.00 0.00 C ATOM 871 NE ARG A 473 55.980 22.022 -3.863 1.00 0.00 N ATOM 872 CZ ARG A 473 57.029 21.226 -4.116 1.00 0.00 C ATOM 873 NH1 ARG A 473 57.549 21.159 -5.345 1.00 0.00 N ATOM 874 NH2 ARG A 473 57.559 20.498 -3.139 1.00 0.00 N ATOM 0 H ARG A 473 51.429 19.892 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 473 52.524 20.357 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 473 52.503 21.966 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 473 53.724 20.990 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 473 55.045 21.321 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 473 53.969 22.690 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 473 56.052 23.396 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 473 54.700 23.612 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 473 55.624 22.046 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 473 57.148 21.716 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 473 58.347 20.551 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 473 57.168 20.545 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 473 58.357 19.892 -3.330 1.00 0.00 H new ATOM 888 N ASP A 474 54.077 18.191 -4.853 1.00 0.00 N ATOM 889 CA ASP A 474 55.092 17.140 -4.875 1.00 0.00 C ATOM 890 C ASP A 474 54.747 16.092 -5.931 1.00 0.00 C ATOM 891 O ASP A 474 55.624 15.402 -6.456 1.00 0.00 O ATOM 892 CB ASP A 474 55.242 16.492 -3.502 1.00 0.00 C ATOM 893 CG ASP A 474 56.362 15.470 -3.466 1.00 0.00 C ATOM 894 OD1 ASP A 474 57.513 15.827 -3.816 1.00 0.00 O ATOM 895 OD2 ASP A 474 56.106 14.312 -3.073 1.00 0.00 O ATOM 0 H ASP A 474 53.500 18.211 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 474 56.048 17.595 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 474 55.434 17.264 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 474 54.304 16.010 -3.226 1.00 0.00 H new ATOM 900 N CYS A 475 53.460 15.993 -6.256 1.00 0.00 N ATOM 901 CA CYS A 475 52.993 15.084 -7.292 1.00 0.00 C ATOM 902 C CYS A 475 53.428 15.576 -8.676 1.00 0.00 C ATOM 903 O CYS A 475 53.375 14.827 -9.657 1.00 0.00 O ATOM 904 CB CYS A 475 51.468 14.951 -7.240 1.00 0.00 C ATOM 905 SG CYS A 475 50.827 14.016 -5.807 1.00 0.00 S ATOM 0 H CYS A 475 52.720 16.536 -5.812 1.00 0.00 H new ATOM 0 HA CYS A 475 53.438 14.105 -7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 475 51.031 15.949 -7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 475 51.129 14.464 -8.154 1.00 0.00 H new ATOM 910 N MET A 476 53.844 16.841 -8.745 1.00 0.00 N ATOM 911 CA MET A 476 54.309 17.439 -9.992 1.00 0.00 C ATOM 912 C MET A 476 55.535 16.712 -10.494 1.00 0.00 C ATOM 913 O MET A 476 56.555 16.638 -9.801 1.00 0.00 O ATOM 914 CB MET A 476 54.603 18.943 -9.797 1.00 0.00 C ATOM 915 CG MET A 476 55.148 19.670 -11.029 1.00 0.00 C ATOM 916 SD MET A 476 56.916 19.392 -11.317 1.00 0.00 S ATOM 917 CE MET A 476 57.625 20.101 -9.830 1.00 0.00 C ATOM 0 H MET A 476 53.867 17.473 -7.945 1.00 0.00 H new ATOM 0 HA MET A 476 53.522 17.344 -10.740 1.00 0.00 H new ATOM 0 HB2 MET A 476 53.685 19.438 -9.481 1.00 0.00 H new ATOM 0 HB3 MET A 476 55.320 19.053 -8.984 1.00 0.00 H new ATOM 0 HG2 MET A 476 54.590 19.345 -11.908 1.00 0.00 H new ATOM 0 HG3 MET A 476 54.971 20.740 -10.916 1.00 0.00 H new ATOM 0 HE1 MET A 476 58.503 20.691 -10.091 1.00 0.00 H new ATOM 0 HE2 MET A 476 56.888 20.742 -9.345 1.00 0.00 H new ATOM 0 HE3 MET A 476 57.915 19.301 -9.148 1.00 0.00 H new ATOM 927 N GLY A 477 55.424 16.140 -11.683 1.00 0.00 N ATOM 928 CA GLY A 477 56.532 15.416 -12.271 1.00 0.00 C ATOM 929 C GLY A 477 56.640 14.000 -11.742 1.00 0.00 C ATOM 930 O GLY A 477 57.300 13.153 -12.346 1.00 0.00 O ATOM 0 H GLY A 477 54.580 16.165 -12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 477 56.411 15.389 -13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 477 57.461 15.949 -12.067 1.00 0.00 H new ATOM 934 N ALA A 478 55.986 13.743 -10.626 1.00 0.00 N ATOM 935 CA ALA A 478 56.022 12.438 -10.007 1.00 0.00 C ATOM 936 C ALA A 478 55.018 11.503 -10.653 1.00 0.00 C ATOM 937 O ALA A 478 55.348 10.371 -11.002 1.00 0.00 O ATOM 938 CB ALA A 478 55.763 12.552 -8.514 1.00 0.00 C ATOM 0 H ALA A 478 55.419 14.429 -10.128 1.00 0.00 H new ATOM 0 HA ALA A 478 57.017 12.018 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 478 55.793 11.560 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 478 56.528 13.181 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 478 54.782 12.996 -8.348 1.00 0.00 H new ATOM 944 N HIS A 479 53.791 11.969 -10.826 1.00 0.00 N ATOM 945 CA HIS A 479 52.770 11.129 -11.429 1.00 0.00 C ATOM 946 C HIS A 479 52.578 11.432 -12.902 1.00 0.00 C ATOM 947 O HIS A 479 52.970 10.642 -13.758 1.00 0.00 O ATOM 948 CB HIS A 479 51.421 11.243 -10.715 1.00 0.00 C ATOM 949 CG HIS A 479 51.447 10.908 -9.259 1.00 0.00 C ATOM 950 ND1 HIS A 479 51.826 9.695 -8.747 1.00 0.00 N ATOM 951 CD2 HIS A 479 51.115 11.665 -8.207 1.00 0.00 C ATOM 952 CE1 HIS A 479 51.715 9.764 -7.411 1.00 0.00 C ATOM 953 NE2 HIS A 479 51.282 10.949 -7.036 1.00 0.00 N ATOM 0 H HIS A 479 53.482 12.905 -10.563 1.00 0.00 H new ATOM 0 HA HIS A 479 53.136 10.108 -11.321 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.050 12.261 -10.832 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.708 10.585 -11.211 1.00 0.00 H new ATOM 0 HD2 HIS A 479 50.767 12.686 -8.264 1.00 0.00 H new ATOM 0 HE1 HIS A 479 51.950 8.955 -6.734 1.00 0.00 H new ATOM 0 HE2 HIS A 479 51.107 11.271 -6.084 1.00 0.00 H new ATOM 961 N TRP A 480 51.974 12.578 -13.197 1.00 0.00 N ATOM 962 CA TRP A 480 51.628 12.921 -14.566 1.00 0.00 C ATOM 963 C TRP A 480 52.808 12.913 -15.517 1.00 0.00 C ATOM 964 O TRP A 480 53.826 13.569 -15.284 1.00 0.00 O ATOM 965 CB TRP A 480 50.849 14.229 -14.665 1.00 0.00 C ATOM 966 CG TRP A 480 51.290 15.327 -13.756 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.221 16.287 -14.010 1.00 0.00 C ATOM 968 CD2 TRP A 480 50.770 15.597 -12.460 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.310 17.145 -12.941 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.425 16.738 -11.973 1.00 0.00 C ATOM 971 CE3 TRP A 480 49.809 14.977 -11.663 1.00 0.00 C ATOM 972 CZ2 TRP A 480 51.146 17.278 -10.721 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.532 15.511 -10.421 1.00 0.00 C ATOM 974 CH2 TRP A 480 50.198 16.653 -9.963 1.00 0.00 C ATOM 0 H TRP A 480 51.715 13.282 -12.506 1.00 0.00 H new ATOM 0 HA TRP A 480 50.968 12.117 -14.892 1.00 0.00 H new ATOM 0 HB2 TRP A 480 50.911 14.588 -15.692 1.00 0.00 H new ATOM 0 HB3 TRP A 480 49.799 14.019 -14.464 1.00 0.00 H new ATOM 0 HD1 TRP A 480 52.803 16.363 -14.917 1.00 0.00 H new ATOM 0 HE1 TRP A 480 52.931 17.952 -12.877 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.291 14.095 -12.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 51.660 18.158 -10.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.790 15.040 -9.793 1.00 0.00 H new ATOM 0 HH2 TRP A 480 49.957 17.049 -8.988 1.00 0.00 H new ATOM 985 N PHE A 481 52.651 12.125 -16.584 1.00 0.00 N ATOM 986 CA PHE A 481 53.641 11.967 -17.649 1.00 0.00 C ATOM 987 C PHE A 481 54.915 11.288 -17.136 1.00 0.00 C ATOM 988 O PHE A 481 55.936 11.247 -17.824 1.00 0.00 O ATOM 989 CB PHE A 481 53.952 13.311 -18.323 1.00 0.00 C ATOM 990 CG PHE A 481 54.384 13.172 -19.758 1.00 0.00 C ATOM 991 CD1 PHE A 481 53.524 12.630 -20.702 1.00 0.00 C ATOM 992 CD2 PHE A 481 55.642 13.585 -20.165 1.00 0.00 C ATOM 993 CE1 PHE A 481 53.910 12.504 -22.023 1.00 0.00 C ATOM 994 CE2 PHE A 481 56.035 13.462 -21.484 1.00 0.00 C ATOM 995 CZ PHE A 481 55.168 12.918 -22.414 1.00 0.00 C ATOM 0 H PHE A 481 51.811 11.566 -16.733 1.00 0.00 H new ATOM 0 HA PHE A 481 53.208 11.312 -18.405 1.00 0.00 H new ATOM 0 HB2 PHE A 481 53.067 13.946 -18.277 1.00 0.00 H new ATOM 0 HB3 PHE A 481 54.737 13.818 -17.762 1.00 0.00 H new ATOM 0 HD1 PHE A 481 52.540 12.302 -20.401 1.00 0.00 H new ATOM 0 HD2 PHE A 481 56.324 14.008 -19.443 1.00 0.00 H new ATOM 0 HE1 PHE A 481 53.229 12.083 -22.748 1.00 0.00 H new ATOM 0 HE2 PHE A 481 57.018 13.790 -21.788 1.00 0.00 H new ATOM 0 HZ PHE A 481 55.474 12.817 -23.445 1.00 0.00 H new ATOM 1005 N GLY A 482 54.836 10.735 -15.934 1.00 0.00 N ATOM 1006 CA GLY A 482 55.956 10.029 -15.365 1.00 0.00 C ATOM 1007 C GLY A 482 56.103 8.662 -15.978 1.00 0.00 C ATOM 1008 O GLY A 482 55.071 8.089 -16.397 1.00 0.00 O ATOM 1009 OXT GLY A 482 57.235 8.148 -16.047 1.00 0.00 O ATOM 0 H GLY A 482 54.006 10.766 -15.341 1.00 0.00 H new ATOM 0 HA2 GLY A 482 56.870 10.602 -15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 482 55.821 9.935 -14.287 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 35.018 16.140 -10.596 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 49.608 12.199 -6.191 1.00 0.00 ZN