USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 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 -35:sc= 0.37 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot -170:sc= 0.00176 USER MOD Single : A 434 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.555) USER MOD Single : A 438 LYS NZ :NH3+ 167:sc= -0.0108 (180deg=-0.152) USER MOD Single : A 441 THR OG1 : rot -119:sc= 1.27 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 451 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.6!) USER MOD Single : A 452 MET CE :methyl -106:sc= -4.95 (180deg=-6.93!) USER MOD Single : A 455 THR OG1 : rot 13:sc= 1.18 USER MOD Single : A 468 GLN : amide:sc= 0.0671 K(o=0.067,f=-1.2) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 472 THR OG1 : rot -121:sc= -0.101 USER MOD Single : A 476 MET CE :methyl 142:sc= -0.133 (180deg=-0.578) USER MOD Single : A 479 HIS :FLIP no HE2:sc= -11.8! C(o=-14!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.719 -16.804 5.058 1.00 0.00 N ATOM 2 CA GLY A -1 4.073 -15.641 4.224 1.00 0.00 C ATOM 3 C GLY A -1 5.352 -14.983 4.682 1.00 0.00 C ATOM 4 O GLY A -1 5.350 -14.202 5.632 1.00 0.00 O ATOM 0 H1 GLY A -1 2.835 -17.225 4.709 1.00 0.00 H new ATOM 0 H2 GLY A -1 4.481 -17.510 5.011 1.00 0.00 H new ATOM 0 H3 GLY A -1 3.591 -16.498 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.180 -15.958 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.261 -14.914 4.253 1.00 0.00 H new ATOM 10 N SER A 0 6.443 -15.300 4.020 1.00 0.00 N ATOM 11 CA SER A 0 7.727 -14.730 4.365 1.00 0.00 C ATOM 12 C SER A 0 8.383 -14.136 3.129 1.00 0.00 C ATOM 13 O SER A 0 8.450 -14.781 2.082 1.00 0.00 O ATOM 14 CB SER A 0 8.627 -15.797 4.985 1.00 0.00 C ATOM 15 OG SER A 0 7.980 -16.434 6.078 1.00 0.00 O ATOM 0 H SER A 0 6.466 -15.952 3.236 1.00 0.00 H new ATOM 0 HA SER A 0 7.576 -13.936 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.891 -16.539 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.558 -15.342 5.323 1.00 0.00 H new ATOM 0 HG SER A 0 8.574 -17.114 6.458 1.00 0.00 H new ATOM 21 N ALA A 417 8.837 -12.904 3.241 1.00 0.00 N ATOM 22 CA ALA A 417 9.480 -12.228 2.133 1.00 0.00 C ATOM 23 C ALA A 417 10.985 -12.384 2.209 1.00 0.00 C ATOM 24 O ALA A 417 11.558 -12.461 3.300 1.00 0.00 O ATOM 25 CB ALA A 417 9.098 -10.759 2.117 1.00 0.00 C ATOM 0 H ALA A 417 8.772 -12.348 4.094 1.00 0.00 H new ATOM 0 HA ALA A 417 9.137 -12.687 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 417 9.589 -10.264 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 417 8.017 -10.665 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 417 9.413 -10.291 3.050 1.00 0.00 H new ATOM 31 N GLU A 418 11.622 -12.433 1.058 1.00 0.00 N ATOM 32 CA GLU A 418 13.064 -12.578 0.987 1.00 0.00 C ATOM 33 C GLU A 418 13.725 -11.213 0.895 1.00 0.00 C ATOM 34 O GLU A 418 14.228 -10.820 -0.162 1.00 0.00 O ATOM 35 CB GLU A 418 13.453 -13.423 -0.221 1.00 0.00 C ATOM 36 CG GLU A 418 12.771 -14.774 -0.273 1.00 0.00 C ATOM 37 CD GLU A 418 13.132 -15.540 -1.514 1.00 0.00 C ATOM 38 OE1 GLU A 418 12.502 -15.301 -2.570 1.00 0.00 O ATOM 39 OE2 GLU A 418 14.050 -16.376 -1.456 1.00 0.00 O ATOM 0 H GLU A 418 11.161 -12.374 0.150 1.00 0.00 H new ATOM 0 HA GLU A 418 13.406 -13.078 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 418 13.213 -12.871 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 418 14.533 -13.573 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 418 13.051 -15.355 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 418 11.690 -14.636 -0.234 1.00 0.00 H new ATOM 46 N ALA A 419 13.706 -10.483 1.988 1.00 0.00 N ATOM 47 CA ALA A 419 14.276 -9.151 2.022 1.00 0.00 C ATOM 48 C ALA A 419 15.534 -9.120 2.845 1.00 0.00 C ATOM 49 O ALA A 419 15.922 -10.131 3.445 1.00 0.00 O ATOM 50 CB ALA A 419 13.286 -8.163 2.601 1.00 0.00 C ATOM 0 H ALA A 419 13.299 -10.790 2.872 1.00 0.00 H new ATOM 0 HA ALA A 419 14.515 -8.873 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 419 13.732 -7.169 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 419 12.386 -8.146 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 419 13.026 -8.462 3.616 1.00 0.00 H new ATOM 56 N ARG A 420 16.186 -7.953 2.845 1.00 0.00 N ATOM 57 CA ARG A 420 17.377 -7.694 3.656 1.00 0.00 C ATOM 58 C ARG A 420 18.614 -8.459 3.161 1.00 0.00 C ATOM 59 O ARG A 420 19.743 -8.132 3.532 1.00 0.00 O ATOM 60 CB ARG A 420 17.095 -8.004 5.127 1.00 0.00 C ATOM 61 CG ARG A 420 15.974 -7.169 5.727 1.00 0.00 C ATOM 62 CD ARG A 420 15.739 -7.537 7.177 1.00 0.00 C ATOM 63 NE ARG A 420 14.670 -6.747 7.784 1.00 0.00 N ATOM 64 CZ ARG A 420 14.532 -6.555 9.098 1.00 0.00 C ATOM 65 NH1 ARG A 420 15.395 -7.109 9.947 1.00 0.00 N ATOM 66 NH2 ARG A 420 13.530 -5.821 9.559 1.00 0.00 N ATOM 0 H ARG A 420 15.899 -7.156 2.277 1.00 0.00 H new ATOM 0 HA ARG A 420 17.610 -6.634 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 420 16.841 -9.060 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 420 18.005 -7.841 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 420 16.224 -6.111 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 420 15.058 -7.321 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 420 15.489 -8.596 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 420 16.661 -7.391 7.740 1.00 0.00 H new ATOM 0 HE ARG A 420 13.985 -6.314 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 420 16.162 -7.681 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 420 15.289 -6.962 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 420 12.864 -5.402 8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 420 13.425 -5.675 10.563 1.00 0.00 H new ATOM 80 N TRP A 421 18.396 -9.462 2.323 1.00 0.00 N ATOM 81 CA TRP A 421 19.481 -10.249 1.778 1.00 0.00 C ATOM 82 C TRP A 421 20.242 -9.428 0.749 1.00 0.00 C ATOM 83 O TRP A 421 19.718 -9.118 -0.331 1.00 0.00 O ATOM 84 CB TRP A 421 18.949 -11.531 1.130 1.00 0.00 C ATOM 85 CG TRP A 421 20.012 -12.570 0.852 1.00 0.00 C ATOM 86 CD1 TRP A 421 21.321 -12.353 0.509 1.00 0.00 C ATOM 87 CD2 TRP A 421 19.841 -13.987 0.889 1.00 0.00 C ATOM 88 NE1 TRP A 421 21.968 -13.550 0.335 1.00 0.00 N ATOM 89 CE2 TRP A 421 21.081 -14.570 0.562 1.00 0.00 C ATOM 90 CE3 TRP A 421 18.759 -14.818 1.170 1.00 0.00 C ATOM 91 CZ2 TRP A 421 21.264 -15.950 0.507 1.00 0.00 C ATOM 92 CZ3 TRP A 421 18.939 -16.189 1.115 1.00 0.00 C ATOM 93 CH2 TRP A 421 20.184 -16.741 0.788 1.00 0.00 C ATOM 0 H TRP A 421 17.469 -9.748 2.007 1.00 0.00 H new ATOM 0 HA TRP A 421 20.152 -10.527 2.591 1.00 0.00 H new ATOM 0 HB2 TRP A 421 18.192 -11.967 1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 421 18.454 -11.274 0.194 1.00 0.00 H new ATOM 0 HD1 TRP A 421 21.777 -11.381 0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 421 22.949 -13.663 0.079 1.00 0.00 H new ATOM 0 HE3 TRP A 421 17.797 -14.400 1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 22.222 -16.379 0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 18.107 -16.843 1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 421 20.294 -17.815 0.757 1.00 0.00 H new ATOM 104 N ASP A 422 21.452 -9.062 1.091 1.00 0.00 N ATOM 105 CA ASP A 422 22.300 -8.301 0.199 1.00 0.00 C ATOM 106 C ASP A 422 23.739 -8.451 0.609 1.00 0.00 C ATOM 107 O ASP A 422 24.145 -7.968 1.658 1.00 0.00 O ATOM 108 CB ASP A 422 21.914 -6.820 0.193 1.00 0.00 C ATOM 109 CG ASP A 422 22.748 -6.014 -0.783 1.00 0.00 C ATOM 110 OD1 ASP A 422 22.465 -6.080 -2.005 1.00 0.00 O ATOM 111 OD2 ASP A 422 23.677 -5.310 -0.343 1.00 0.00 O ATOM 0 H ASP A 422 21.879 -9.281 1.991 1.00 0.00 H new ATOM 0 HA ASP A 422 22.165 -8.691 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 422 20.860 -6.722 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 422 22.035 -6.411 1.196 1.00 0.00 H new ATOM 116 N GLU A 423 24.494 -9.145 -0.200 1.00 0.00 N ATOM 117 CA GLU A 423 25.894 -9.352 0.070 1.00 0.00 C ATOM 118 C GLU A 423 26.726 -8.509 -0.876 1.00 0.00 C ATOM 119 O GLU A 423 26.879 -8.840 -2.054 1.00 0.00 O ATOM 120 CB GLU A 423 26.241 -10.834 -0.050 1.00 0.00 C ATOM 121 CG GLU A 423 25.471 -11.703 0.934 1.00 0.00 C ATOM 122 CD GLU A 423 25.757 -13.175 0.774 1.00 0.00 C ATOM 123 OE1 GLU A 423 26.890 -13.601 1.087 1.00 0.00 O ATOM 124 OE2 GLU A 423 24.847 -13.916 0.350 1.00 0.00 O ATOM 0 H GLU A 423 24.160 -9.581 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 423 26.118 -9.041 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 423 26.031 -11.170 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 423 27.310 -10.966 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 423 25.721 -11.399 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 423 24.403 -11.530 0.803 1.00 0.00 H new ATOM 131 N ALA A 424 27.235 -7.400 -0.357 1.00 0.00 N ATOM 132 CA ALA A 424 27.999 -6.451 -1.146 1.00 0.00 C ATOM 133 C ALA A 424 29.270 -7.068 -1.702 1.00 0.00 C ATOM 134 O ALA A 424 30.075 -7.641 -0.967 1.00 0.00 O ATOM 135 CB ALA A 424 28.330 -5.223 -0.315 1.00 0.00 C ATOM 0 H ALA A 424 27.129 -7.136 0.622 1.00 0.00 H new ATOM 0 HA ALA A 424 27.380 -6.156 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 424 28.903 -4.519 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 424 27.407 -4.749 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 424 28.918 -5.519 0.554 1.00 0.00 H new ATOM 141 N SER A 425 29.434 -6.959 -3.000 1.00 0.00 N ATOM 142 CA SER A 425 30.613 -7.455 -3.654 1.00 0.00 C ATOM 143 C SER A 425 31.647 -6.346 -3.756 1.00 0.00 C ATOM 144 O SER A 425 31.631 -5.545 -4.698 1.00 0.00 O ATOM 145 CB SER A 425 30.261 -7.995 -5.040 1.00 0.00 C ATOM 146 OG SER A 425 29.224 -8.964 -4.959 1.00 0.00 O ATOM 0 H SER A 425 28.755 -6.526 -3.626 1.00 0.00 H new ATOM 0 HA SER A 425 31.032 -8.272 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 425 29.948 -7.174 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 425 31.145 -8.440 -5.497 1.00 0.00 H new ATOM 0 HG SER A 425 29.014 -9.294 -5.857 1.00 0.00 H new ATOM 152 N ASN A 426 32.520 -6.272 -2.762 1.00 0.00 N ATOM 153 CA ASN A 426 33.558 -5.253 -2.730 1.00 0.00 C ATOM 154 C ASN A 426 34.663 -5.605 -3.707 1.00 0.00 C ATOM 155 O ASN A 426 35.689 -6.173 -3.329 1.00 0.00 O ATOM 156 CB ASN A 426 34.129 -5.080 -1.316 1.00 0.00 C ATOM 157 CG ASN A 426 33.094 -4.604 -0.309 1.00 0.00 C ATOM 158 OD1 ASN A 426 32.888 -3.403 -0.131 1.00 0.00 O ATOM 159 ND2 ASN A 426 32.447 -5.538 0.362 1.00 0.00 N ATOM 0 H ASN A 426 32.530 -6.908 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 426 33.110 -4.304 -3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 426 34.544 -6.030 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 426 34.952 -4.366 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 426 31.748 -5.275 1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 426 32.646 -6.523 0.186 1.00 0.00 H new ATOM 166 N VAL A 427 34.434 -5.291 -4.965 1.00 0.00 N ATOM 167 CA VAL A 427 35.370 -5.613 -6.020 1.00 0.00 C ATOM 168 C VAL A 427 36.660 -4.812 -5.904 1.00 0.00 C ATOM 169 O VAL A 427 36.642 -3.593 -5.716 1.00 0.00 O ATOM 170 CB VAL A 427 34.745 -5.410 -7.424 1.00 0.00 C ATOM 171 CG1 VAL A 427 33.610 -6.394 -7.645 1.00 0.00 C ATOM 172 CG2 VAL A 427 34.251 -3.978 -7.606 1.00 0.00 C ATOM 0 H VAL A 427 33.595 -4.806 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 427 35.614 -6.669 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 427 35.520 -5.595 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 427 33.181 -6.239 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 427 33.992 -7.412 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 427 32.841 -6.238 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 427 33.818 -3.866 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 427 33.495 -3.756 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 427 35.087 -3.288 -7.495 1.00 0.00 H new ATOM 182 N THR A 428 37.774 -5.509 -6.001 1.00 0.00 N ATOM 183 CA THR A 428 39.074 -4.879 -5.944 1.00 0.00 C ATOM 184 C THR A 428 39.623 -4.707 -7.346 1.00 0.00 C ATOM 185 O THR A 428 40.646 -4.045 -7.551 1.00 0.00 O ATOM 186 CB THR A 428 40.073 -5.696 -5.077 1.00 0.00 C ATOM 187 OG1 THR A 428 41.329 -5.011 -4.991 1.00 0.00 O ATOM 188 CG2 THR A 428 40.293 -7.083 -5.666 1.00 0.00 C ATOM 0 H THR A 428 37.802 -6.522 -6.121 1.00 0.00 H new ATOM 0 HA THR A 428 38.952 -3.902 -5.475 1.00 0.00 H new ATOM 0 HB THR A 428 39.646 -5.800 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 428 41.513 -4.557 -5.840 1.00 0.00 H new ATOM 0 HG21 THR A 428 40.996 -7.636 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 428 39.343 -7.617 -5.704 1.00 0.00 H new ATOM 0 HG23 THR A 428 40.698 -6.990 -6.674 1.00 0.00 H new ATOM 196 N ILE A 429 38.940 -5.304 -8.311 1.00 0.00 N ATOM 197 CA ILE A 429 39.347 -5.200 -9.690 1.00 0.00 C ATOM 198 C ILE A 429 39.235 -3.755 -10.171 1.00 0.00 C ATOM 199 O ILE A 429 38.279 -3.049 -9.828 1.00 0.00 O ATOM 200 CB ILE A 429 38.528 -6.152 -10.613 1.00 0.00 C ATOM 201 CG1 ILE A 429 38.918 -5.969 -12.086 1.00 0.00 C ATOM 202 CG2 ILE A 429 37.032 -5.949 -10.417 1.00 0.00 C ATOM 203 CD1 ILE A 429 38.231 -6.935 -13.030 1.00 0.00 C ATOM 0 H ILE A 429 38.102 -5.864 -8.157 1.00 0.00 H new ATOM 0 HA ILE A 429 40.390 -5.512 -9.748 1.00 0.00 H new ATOM 0 HB ILE A 429 38.769 -7.177 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 429 38.681 -4.949 -12.390 1.00 0.00 H new ATOM 0 HG13 ILE A 429 39.997 -6.088 -12.183 1.00 0.00 H new ATOM 0 HG21 ILE A 429 36.484 -6.625 -11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 429 36.769 -6.157 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 429 36.770 -4.919 -10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 429 38.559 -6.741 -14.051 1.00 0.00 H new ATOM 0 HD12 ILE A 429 38.488 -7.958 -12.754 1.00 0.00 H new ATOM 0 HD13 ILE A 429 37.151 -6.802 -12.965 1.00 0.00 H new ATOM 215 N LYS A 430 40.227 -3.313 -10.918 1.00 0.00 N ATOM 216 CA LYS A 430 40.258 -1.952 -11.414 1.00 0.00 C ATOM 217 C LYS A 430 39.136 -1.694 -12.393 1.00 0.00 C ATOM 218 O LYS A 430 39.083 -2.291 -13.473 1.00 0.00 O ATOM 219 CB LYS A 430 41.595 -1.649 -12.091 1.00 0.00 C ATOM 220 CG LYS A 430 41.643 -0.296 -12.805 1.00 0.00 C ATOM 221 CD LYS A 430 42.625 -0.312 -13.967 1.00 0.00 C ATOM 222 CE LYS A 430 43.951 -0.952 -13.587 1.00 0.00 C ATOM 223 NZ LYS A 430 44.932 -0.870 -14.692 1.00 0.00 N ATOM 0 H LYS A 430 41.027 -3.881 -11.196 1.00 0.00 H new ATOM 0 HA LYS A 430 40.131 -1.296 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 430 42.385 -1.680 -11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 430 41.811 -2.436 -12.813 1.00 0.00 H new ATOM 0 HG2 LYS A 430 40.648 -0.042 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 430 41.930 0.481 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 430 42.187 -0.856 -14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 430 42.800 0.709 -14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 430 44.355 -0.457 -12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 430 43.789 -1.996 -13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 45.824 -1.316 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 44.557 -1.364 -15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 45.105 0.128 -14.929 1.00 0.00 H new ATOM 237 N VAL A 431 38.224 -0.842 -12.005 1.00 0.00 N ATOM 238 CA VAL A 431 37.210 -0.393 -12.910 1.00 0.00 C ATOM 239 C VAL A 431 37.815 0.684 -13.800 1.00 0.00 C ATOM 240 O VAL A 431 38.670 1.452 -13.345 1.00 0.00 O ATOM 241 CB VAL A 431 35.955 0.138 -12.171 1.00 0.00 C ATOM 242 CG1 VAL A 431 35.232 -1.005 -11.476 1.00 0.00 C ATOM 243 CG2 VAL A 431 36.328 1.213 -11.162 1.00 0.00 C ATOM 0 H VAL A 431 38.166 -0.447 -11.066 1.00 0.00 H new ATOM 0 HA VAL A 431 36.871 -1.237 -13.511 1.00 0.00 H new ATOM 0 HB VAL A 431 35.289 0.583 -12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 431 34.352 -0.619 -10.961 1.00 0.00 H new ATOM 0 HG12 VAL A 431 34.924 -1.744 -12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 431 35.900 -1.472 -10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 431 35.428 1.567 -10.659 1.00 0.00 H new ATOM 0 HG22 VAL A 431 37.016 0.798 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 431 36.807 2.045 -11.678 1.00 0.00 H new ATOM 253 N SER A 432 37.408 0.713 -15.054 1.00 0.00 N ATOM 254 CA SER A 432 37.973 1.633 -16.040 1.00 0.00 C ATOM 255 C SER A 432 37.979 3.085 -15.551 1.00 0.00 C ATOM 256 O SER A 432 38.999 3.770 -15.638 1.00 0.00 O ATOM 257 CB SER A 432 37.210 1.508 -17.346 1.00 0.00 C ATOM 258 OG SER A 432 37.142 0.147 -17.745 1.00 0.00 O ATOM 0 H SER A 432 36.678 0.104 -15.424 1.00 0.00 H new ATOM 0 HA SER A 432 39.015 1.355 -16.197 1.00 0.00 H new ATOM 0 HB2 SER A 432 36.204 1.911 -17.228 1.00 0.00 H new ATOM 0 HB3 SER A 432 37.701 2.098 -18.120 1.00 0.00 H new ATOM 0 HG SER A 432 36.646 0.077 -18.588 1.00 0.00 H new ATOM 264 N THR A 433 36.863 3.542 -15.033 1.00 0.00 N ATOM 265 CA THR A 433 36.774 4.895 -14.545 1.00 0.00 C ATOM 266 C THR A 433 36.959 4.942 -13.035 1.00 0.00 C ATOM 267 O THR A 433 36.465 4.080 -12.314 1.00 0.00 O ATOM 268 CB THR A 433 35.431 5.535 -14.917 1.00 0.00 C ATOM 269 OG1 THR A 433 34.358 4.640 -14.589 1.00 0.00 O ATOM 270 CG2 THR A 433 35.385 5.882 -16.400 1.00 0.00 C ATOM 0 H THR A 433 36.006 2.997 -14.939 1.00 0.00 H new ATOM 0 HA THR A 433 37.574 5.462 -15.020 1.00 0.00 H new ATOM 0 HB THR A 433 35.320 6.458 -14.347 1.00 0.00 H new ATOM 0 HG1 THR A 433 33.521 4.980 -14.969 1.00 0.00 H new ATOM 0 HG21 THR A 433 34.422 6.334 -16.638 1.00 0.00 H new ATOM 0 HG22 THR A 433 36.184 6.585 -16.634 1.00 0.00 H new ATOM 0 HG23 THR A 433 35.515 4.975 -16.990 1.00 0.00 H new ATOM 278 N LYS A 434 37.685 5.934 -12.572 1.00 0.00 N ATOM 279 CA LYS A 434 37.902 6.119 -11.149 1.00 0.00 C ATOM 280 C LYS A 434 37.045 7.293 -10.673 1.00 0.00 C ATOM 281 O LYS A 434 36.876 8.264 -11.401 1.00 0.00 O ATOM 282 CB LYS A 434 39.393 6.382 -10.860 1.00 0.00 C ATOM 283 CG LYS A 434 40.371 5.321 -11.414 1.00 0.00 C ATOM 284 CD LYS A 434 40.521 4.101 -10.501 1.00 0.00 C ATOM 285 CE LYS A 434 39.409 3.095 -10.686 1.00 0.00 C ATOM 286 NZ LYS A 434 39.548 1.966 -9.741 1.00 0.00 N ATOM 0 H LYS A 434 38.139 6.631 -13.162 1.00 0.00 H new ATOM 0 HA LYS A 434 37.615 5.215 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 434 39.661 7.352 -11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 434 39.530 6.450 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 434 40.023 4.993 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 434 41.349 5.779 -11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 434 41.478 3.619 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 434 40.539 4.430 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 434 38.445 3.582 -10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 434 39.421 2.720 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 39.137 1.108 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 40.555 1.804 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 39.049 2.190 -8.856 1.00 0.00 H new ATOM 300 N PRO A 435 36.471 7.210 -9.471 1.00 0.00 N ATOM 301 CA PRO A 435 35.590 8.262 -8.946 1.00 0.00 C ATOM 302 C PRO A 435 36.325 9.582 -8.642 1.00 0.00 C ATOM 303 O PRO A 435 37.321 9.600 -7.905 1.00 0.00 O ATOM 304 CB PRO A 435 35.032 7.647 -7.657 1.00 0.00 C ATOM 305 CG PRO A 435 36.040 6.627 -7.252 1.00 0.00 C ATOM 306 CD PRO A 435 36.623 6.088 -8.527 1.00 0.00 C ATOM 0 HA PRO A 435 34.828 8.541 -9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.902 8.403 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 435 34.056 7.192 -7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.814 7.071 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.577 5.831 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.668 5.805 -8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 435 36.091 5.200 -8.869 1.00 0.00 H new ATOM 314 N CYS A 436 35.808 10.686 -9.208 1.00 0.00 N ATOM 315 CA CYS A 436 36.362 12.020 -8.993 1.00 0.00 C ATOM 316 C CYS A 436 36.404 12.330 -7.509 1.00 0.00 C ATOM 317 O CYS A 436 35.498 11.957 -6.771 1.00 0.00 O ATOM 318 CB CYS A 436 35.496 13.067 -9.735 1.00 0.00 C ATOM 319 SG CYS A 436 35.946 14.821 -9.442 1.00 0.00 S ATOM 0 H CYS A 436 34.996 10.672 -9.825 1.00 0.00 H new ATOM 0 HA CYS A 436 37.378 12.057 -9.386 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.557 12.869 -10.805 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.456 12.924 -9.443 1.00 0.00 H new ATOM 324 N PRO A 437 37.459 12.996 -7.046 1.00 0.00 N ATOM 325 CA PRO A 437 37.600 13.357 -5.641 1.00 0.00 C ATOM 326 C PRO A 437 36.558 14.374 -5.198 1.00 0.00 C ATOM 327 O PRO A 437 36.366 14.597 -4.005 1.00 0.00 O ATOM 328 CB PRO A 437 38.999 13.973 -5.561 1.00 0.00 C ATOM 329 CG PRO A 437 39.312 14.402 -6.951 1.00 0.00 C ATOM 330 CD PRO A 437 38.606 13.438 -7.852 1.00 0.00 C ATOM 0 HA PRO A 437 37.461 12.494 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.019 14.818 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 437 39.729 13.249 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 437 38.973 15.422 -7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.387 14.387 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.286 13.915 -8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.249 12.602 -8.129 1.00 0.00 H new ATOM 338 N LYS A 438 35.880 14.983 -6.159 1.00 0.00 N ATOM 339 CA LYS A 438 34.889 16.004 -5.848 1.00 0.00 C ATOM 340 C LYS A 438 33.472 15.495 -6.055 1.00 0.00 C ATOM 341 O LYS A 438 32.770 15.199 -5.096 1.00 0.00 O ATOM 342 CB LYS A 438 35.128 17.290 -6.661 1.00 0.00 C ATOM 343 CG LYS A 438 36.180 18.232 -6.069 1.00 0.00 C ATOM 344 CD LYS A 438 37.573 17.624 -6.086 1.00 0.00 C ATOM 345 CE LYS A 438 38.591 18.537 -5.413 1.00 0.00 C ATOM 346 NZ LYS A 438 38.338 18.688 -3.959 1.00 0.00 N ATOM 0 H LYS A 438 35.996 14.791 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 438 35.005 16.246 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.433 17.015 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.185 17.829 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.186 19.165 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 438 35.907 18.480 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.556 16.660 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 438 37.876 17.436 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 438 39.593 18.135 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 438 38.566 19.518 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 39.165 19.128 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 37.502 19.289 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 38.169 17.753 -3.537 1.00 0.00 H new ATOM 360 N CYS A 439 33.065 15.366 -7.307 1.00 0.00 N ATOM 361 CA CYS A 439 31.711 14.937 -7.620 1.00 0.00 C ATOM 362 C CYS A 439 31.566 13.419 -7.577 1.00 0.00 C ATOM 363 O CYS A 439 30.460 12.894 -7.710 1.00 0.00 O ATOM 364 CB CYS A 439 31.288 15.484 -8.977 1.00 0.00 C ATOM 365 SG CYS A 439 32.509 15.252 -10.285 1.00 0.00 S ATOM 0 H CYS A 439 33.650 15.551 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 439 31.050 15.341 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.357 15.002 -9.276 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.078 16.549 -8.877 1.00 0.00 H new ATOM 370 N ARG A 440 32.692 12.726 -7.416 1.00 0.00 N ATOM 371 CA ARG A 440 32.721 11.259 -7.305 1.00 0.00 C ATOM 372 C ARG A 440 32.199 10.588 -8.587 1.00 0.00 C ATOM 373 O ARG A 440 31.798 9.424 -8.576 1.00 0.00 O ATOM 374 CB ARG A 440 31.904 10.798 -6.083 1.00 0.00 C ATOM 375 CG ARG A 440 32.231 9.392 -5.589 1.00 0.00 C ATOM 376 CD ARG A 440 33.339 9.394 -4.535 1.00 0.00 C ATOM 377 NE ARG A 440 34.649 9.794 -5.064 1.00 0.00 N ATOM 378 CZ ARG A 440 35.787 9.754 -4.355 1.00 0.00 C ATOM 379 NH1 ARG A 440 35.762 9.406 -3.075 1.00 0.00 N ATOM 380 NH2 ARG A 440 36.943 10.086 -4.925 1.00 0.00 N ATOM 0 H ARG A 440 33.613 13.161 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 440 33.759 10.954 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 440 32.068 11.502 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 440 30.844 10.843 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 440 31.333 8.938 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 440 32.536 8.774 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 440 33.060 10.071 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 440 33.420 8.397 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 440 34.697 10.122 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 440 34.876 9.168 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 440 36.628 9.376 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 440 36.965 10.372 -5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 440 37.806 10.055 -4.383 1.00 0.00 H new ATOM 394 N THR A 441 32.234 11.316 -9.687 1.00 0.00 N ATOM 395 CA THR A 441 31.767 10.796 -10.958 1.00 0.00 C ATOM 396 C THR A 441 32.834 9.936 -11.629 1.00 0.00 C ATOM 397 O THR A 441 34.021 10.042 -11.301 1.00 0.00 O ATOM 398 CB THR A 441 31.355 11.938 -11.905 1.00 0.00 C ATOM 399 OG1 THR A 441 32.387 12.924 -11.955 1.00 0.00 O ATOM 400 CG2 THR A 441 30.056 12.570 -11.445 1.00 0.00 C ATOM 0 H THR A 441 32.583 12.274 -9.726 1.00 0.00 H new ATOM 0 HA THR A 441 30.895 10.175 -10.751 1.00 0.00 H new ATOM 0 HB THR A 441 31.204 11.525 -12.903 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.037 13.781 -11.633 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.781 13.375 -12.127 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.268 11.817 -11.436 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.183 12.973 -10.440 1.00 0.00 H new ATOM 408 N PRO A 442 32.425 9.055 -12.558 1.00 0.00 N ATOM 409 CA PRO A 442 33.354 8.190 -13.290 1.00 0.00 C ATOM 410 C PRO A 442 34.341 8.991 -14.140 1.00 0.00 C ATOM 411 O PRO A 442 33.993 9.507 -15.209 1.00 0.00 O ATOM 412 CB PRO A 442 32.435 7.341 -14.188 1.00 0.00 C ATOM 413 CG PRO A 442 31.154 8.096 -14.260 1.00 0.00 C ATOM 414 CD PRO A 442 31.024 8.822 -12.959 1.00 0.00 C ATOM 0 HA PRO A 442 33.971 7.596 -12.616 1.00 0.00 H new ATOM 0 HB2 PRO A 442 32.868 7.206 -15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 442 32.283 6.347 -13.768 1.00 0.00 H new ATOM 0 HG2 PRO A 442 31.160 8.795 -15.097 1.00 0.00 H new ATOM 0 HG3 PRO A 442 30.312 7.421 -14.415 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.478 9.758 -13.074 1.00 0.00 H new ATOM 0 HD3 PRO A 442 30.487 8.228 -12.219 1.00 0.00 H new ATOM 422 N THR A 443 35.561 9.107 -13.654 1.00 0.00 N ATOM 423 CA THR A 443 36.597 9.823 -14.355 1.00 0.00 C ATOM 424 C THR A 443 37.368 8.877 -15.266 1.00 0.00 C ATOM 425 O THR A 443 37.852 7.828 -14.827 1.00 0.00 O ATOM 426 CB THR A 443 37.562 10.507 -13.370 1.00 0.00 C ATOM 427 OG1 THR A 443 36.818 11.363 -12.493 1.00 0.00 O ATOM 428 CG2 THR A 443 38.599 11.330 -14.114 1.00 0.00 C ATOM 0 H THR A 443 35.857 8.707 -12.764 1.00 0.00 H new ATOM 0 HA THR A 443 36.122 10.595 -14.960 1.00 0.00 H new ATOM 0 HB THR A 443 38.076 9.736 -12.795 1.00 0.00 H new ATOM 0 HG1 THR A 443 37.430 11.798 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 443 39.270 11.804 -13.397 1.00 0.00 H new ATOM 0 HG22 THR A 443 39.174 10.680 -14.774 1.00 0.00 H new ATOM 0 HG23 THR A 443 38.099 12.097 -14.705 1.00 0.00 H new ATOM 436 N GLU A 444 37.461 9.242 -16.532 1.00 0.00 N ATOM 437 CA GLU A 444 38.133 8.429 -17.526 1.00 0.00 C ATOM 438 C GLU A 444 39.640 8.390 -17.273 1.00 0.00 C ATOM 439 O GLU A 444 40.233 9.384 -16.844 1.00 0.00 O ATOM 440 CB GLU A 444 37.855 8.984 -18.914 1.00 0.00 C ATOM 441 CG GLU A 444 38.189 8.024 -20.028 1.00 0.00 C ATOM 442 CD GLU A 444 38.120 8.670 -21.390 1.00 0.00 C ATOM 443 OE1 GLU A 444 37.001 8.952 -21.864 1.00 0.00 O ATOM 444 OE2 GLU A 444 39.187 8.904 -21.995 1.00 0.00 O ATOM 0 H GLU A 444 37.072 10.111 -16.899 1.00 0.00 H new ATOM 0 HA GLU A 444 37.749 7.411 -17.456 1.00 0.00 H new ATOM 0 HB2 GLU A 444 36.801 9.255 -18.983 1.00 0.00 H new ATOM 0 HB3 GLU A 444 38.429 9.900 -19.051 1.00 0.00 H new ATOM 0 HG2 GLU A 444 39.191 7.624 -19.870 1.00 0.00 H new ATOM 0 HG3 GLU A 444 37.500 7.180 -19.995 1.00 0.00 H new ATOM 451 N ARG A 445 40.247 7.246 -17.537 1.00 0.00 N ATOM 452 CA ARG A 445 41.676 7.077 -17.350 1.00 0.00 C ATOM 453 C ARG A 445 42.423 7.254 -18.662 1.00 0.00 C ATOM 454 O ARG A 445 42.007 6.733 -19.702 1.00 0.00 O ATOM 455 CB ARG A 445 41.994 5.705 -16.751 1.00 0.00 C ATOM 456 CG ARG A 445 41.358 4.536 -17.488 1.00 0.00 C ATOM 457 CD ARG A 445 42.009 3.224 -17.093 1.00 0.00 C ATOM 458 NE ARG A 445 43.380 3.127 -17.616 1.00 0.00 N ATOM 459 CZ ARG A 445 44.468 2.894 -16.868 1.00 0.00 C ATOM 460 NH1 ARG A 445 44.356 2.727 -15.559 1.00 0.00 N ATOM 461 NH2 ARG A 445 45.665 2.828 -17.435 1.00 0.00 N ATOM 0 H ARG A 445 39.768 6.415 -17.884 1.00 0.00 H new ATOM 0 HA ARG A 445 42.007 7.847 -16.653 1.00 0.00 H new ATOM 0 HB2 ARG A 445 43.075 5.568 -16.741 1.00 0.00 H new ATOM 0 HB3 ARG A 445 41.661 5.689 -15.713 1.00 0.00 H new ATOM 0 HG2 ARG A 445 40.292 4.498 -17.265 1.00 0.00 H new ATOM 0 HG3 ARG A 445 41.454 4.684 -18.564 1.00 0.00 H new ATOM 0 HD2 ARG A 445 42.025 3.137 -16.007 1.00 0.00 H new ATOM 0 HD3 ARG A 445 41.414 2.392 -17.471 1.00 0.00 H new ATOM 0 HE ARG A 445 43.513 3.246 -18.620 1.00 0.00 H new ATOM 0 HH11 ARG A 445 43.439 2.775 -15.115 1.00 0.00 H new ATOM 0 HH12 ARG A 445 45.187 2.550 -14.995 1.00 0.00 H new ATOM 0 HH21 ARG A 445 45.760 2.955 -18.443 1.00 0.00 H new ATOM 0 HH22 ARG A 445 46.491 2.651 -16.863 1.00 0.00 H new ATOM 475 N ASP A 446 43.519 7.980 -18.611 1.00 0.00 N ATOM 476 CA ASP A 446 44.342 8.211 -19.789 1.00 0.00 C ATOM 477 C ASP A 446 45.252 7.018 -20.029 1.00 0.00 C ATOM 478 O ASP A 446 45.874 6.507 -19.098 1.00 0.00 O ATOM 479 CB ASP A 446 45.168 9.490 -19.627 1.00 0.00 C ATOM 480 CG ASP A 446 46.056 9.780 -20.823 1.00 0.00 C ATOM 481 OD1 ASP A 446 45.518 10.079 -21.916 1.00 0.00 O ATOM 482 OD2 ASP A 446 47.290 9.725 -20.681 1.00 0.00 O ATOM 0 H ASP A 446 43.867 8.425 -17.762 1.00 0.00 H new ATOM 0 HA ASP A 446 43.689 8.335 -20.653 1.00 0.00 H new ATOM 0 HB2 ASP A 446 44.495 10.333 -19.469 1.00 0.00 H new ATOM 0 HB3 ASP A 446 45.787 9.405 -18.734 1.00 0.00 H new ATOM 487 N GLY A 447 45.324 6.573 -21.270 1.00 0.00 N ATOM 488 CA GLY A 447 46.143 5.425 -21.598 1.00 0.00 C ATOM 489 C GLY A 447 47.564 5.808 -21.948 1.00 0.00 C ATOM 490 O GLY A 447 48.128 5.306 -22.922 1.00 0.00 O ATOM 0 H GLY A 447 44.829 6.986 -22.060 1.00 0.00 H new ATOM 0 HA2 GLY A 447 46.153 4.737 -20.753 1.00 0.00 H new ATOM 0 HA3 GLY A 447 45.696 4.892 -22.438 1.00 0.00 H new ATOM 494 N GLY A 448 48.138 6.698 -21.160 1.00 0.00 N ATOM 495 CA GLY A 448 49.490 7.135 -21.404 1.00 0.00 C ATOM 496 C GLY A 448 50.151 7.664 -20.155 1.00 0.00 C ATOM 497 O GLY A 448 51.129 7.093 -19.675 1.00 0.00 O ATOM 0 H GLY A 448 47.688 7.127 -20.351 1.00 0.00 H new ATOM 0 HA2 GLY A 448 50.074 6.303 -21.798 1.00 0.00 H new ATOM 0 HA3 GLY A 448 49.487 7.912 -22.169 1.00 0.00 H new ATOM 501 N CYS A 449 49.611 8.740 -19.617 1.00 0.00 N ATOM 502 CA CYS A 449 50.172 9.353 -18.430 1.00 0.00 C ATOM 503 C CYS A 449 49.239 9.162 -17.243 1.00 0.00 C ATOM 504 O CYS A 449 48.035 8.971 -17.414 1.00 0.00 O ATOM 505 CB CYS A 449 50.398 10.845 -18.661 1.00 0.00 C ATOM 506 SG CYS A 449 51.253 11.234 -20.204 1.00 0.00 S ATOM 0 H CYS A 449 48.783 9.208 -19.984 1.00 0.00 H new ATOM 0 HA CYS A 449 51.127 8.873 -18.217 1.00 0.00 H new ATOM 0 HB2 CYS A 449 49.433 11.352 -18.655 1.00 0.00 H new ATOM 0 HB3 CYS A 449 50.974 11.247 -17.828 1.00 0.00 H new ATOM 0 HG CYS A 449 51.395 12.522 -20.309 1.00 0.00 H new ATOM 512 N MET A 450 49.792 9.225 -16.046 1.00 0.00 N ATOM 513 CA MET A 450 49.004 9.079 -14.828 1.00 0.00 C ATOM 514 C MET A 450 48.314 10.411 -14.463 1.00 0.00 C ATOM 515 O MET A 450 48.495 10.950 -13.365 1.00 0.00 O ATOM 516 CB MET A 450 49.895 8.620 -13.669 1.00 0.00 C ATOM 517 CG MET A 450 49.121 8.326 -12.401 1.00 0.00 C ATOM 518 SD MET A 450 50.133 8.385 -10.919 1.00 0.00 S ATOM 519 CE MET A 450 51.113 6.909 -11.124 1.00 0.00 C ATOM 0 H MET A 450 50.788 9.377 -15.887 1.00 0.00 H new ATOM 0 HA MET A 450 48.237 8.325 -15.007 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.439 7.725 -13.970 1.00 0.00 H new ATOM 0 HB3 MET A 450 50.638 9.391 -13.463 1.00 0.00 H new ATOM 0 HG2 MET A 450 48.308 9.045 -12.306 1.00 0.00 H new ATOM 0 HG3 MET A 450 48.666 7.339 -12.482 1.00 0.00 H new ATOM 0 HE1 MET A 450 51.795 6.805 -10.280 1.00 0.00 H new ATOM 0 HE2 MET A 450 50.457 6.040 -11.170 1.00 0.00 H new ATOM 0 HE3 MET A 450 51.687 6.979 -12.048 1.00 0.00 H new ATOM 529 N HIS A 451 47.553 10.946 -15.395 1.00 0.00 N ATOM 530 CA HIS A 451 46.834 12.189 -15.168 1.00 0.00 C ATOM 531 C HIS A 451 45.361 11.984 -15.462 1.00 0.00 C ATOM 532 O HIS A 451 45.006 11.362 -16.466 1.00 0.00 O ATOM 533 CB HIS A 451 47.412 13.314 -16.051 1.00 0.00 C ATOM 534 CG HIS A 451 46.940 14.707 -15.698 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.791 15.633 -15.137 1.00 0.00 N ATOM 536 CD2 HIS A 451 45.724 15.279 -15.877 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.074 16.739 -14.992 1.00 0.00 C ATOM 538 NE2 HIS A 451 45.821 16.573 -15.429 1.00 0.00 N ATOM 0 H HIS A 451 47.414 10.541 -16.321 1.00 0.00 H new ATOM 0 HA HIS A 451 46.950 12.484 -14.125 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.500 13.287 -15.983 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.152 13.110 -17.090 1.00 0.00 H new ATOM 0 HD1 HIS A 451 48.770 15.496 -14.885 1.00 0.00 H new ATOM 0 HD2 HIS A 451 44.846 14.807 -16.293 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.454 17.659 -14.573 1.00 0.00 H new ATOM 546 N MET A 452 44.509 12.475 -14.590 1.00 0.00 N ATOM 547 CA MET A 452 43.089 12.332 -14.787 1.00 0.00 C ATOM 548 C MET A 452 42.391 13.659 -14.874 1.00 0.00 C ATOM 549 O MET A 452 42.762 14.628 -14.208 1.00 0.00 O ATOM 550 CB MET A 452 42.458 11.475 -13.710 1.00 0.00 C ATOM 551 CG MET A 452 42.214 10.069 -14.155 1.00 0.00 C ATOM 552 SD MET A 452 41.326 9.116 -12.932 1.00 0.00 S ATOM 553 CE MET A 452 41.051 7.642 -13.854 1.00 0.00 C ATOM 0 H MET A 452 44.776 12.974 -13.742 1.00 0.00 H new ATOM 0 HA MET A 452 42.963 11.827 -15.745 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.106 11.466 -12.833 1.00 0.00 H new ATOM 0 HB3 MET A 452 41.513 11.923 -13.403 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.648 10.078 -15.087 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.168 9.586 -14.366 1.00 0.00 H new ATOM 0 HE1 MET A 452 40.005 7.592 -14.157 1.00 0.00 H new ATOM 0 HE2 MET A 452 41.685 7.644 -14.740 1.00 0.00 H new ATOM 0 HE3 MET A 452 41.292 6.776 -13.237 1.00 0.00 H new ATOM 563 N VAL A 453 41.380 13.695 -15.711 1.00 0.00 N ATOM 564 CA VAL A 453 40.600 14.881 -15.941 1.00 0.00 C ATOM 565 C VAL A 453 39.135 14.554 -15.778 1.00 0.00 C ATOM 566 O VAL A 453 38.612 13.692 -16.490 1.00 0.00 O ATOM 567 CB VAL A 453 40.812 15.405 -17.373 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.034 16.693 -17.596 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.293 15.601 -17.670 1.00 0.00 C ATOM 0 H VAL A 453 41.075 12.889 -16.257 1.00 0.00 H new ATOM 0 HA VAL A 453 40.914 15.640 -15.224 1.00 0.00 H new ATOM 0 HB VAL A 453 40.431 14.656 -18.067 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.198 17.046 -18.614 1.00 0.00 H new ATOM 0 HG12 VAL A 453 38.971 16.507 -17.443 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.375 17.451 -16.890 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.414 15.972 -18.688 1.00 0.00 H new ATOM 0 HG22 VAL A 453 42.712 16.323 -16.969 1.00 0.00 H new ATOM 0 HG23 VAL A 453 42.814 14.649 -17.566 1.00 0.00 H new ATOM 579 N CYS A 454 38.471 15.213 -14.841 1.00 0.00 N ATOM 580 CA CYS A 454 37.058 14.991 -14.654 1.00 0.00 C ATOM 581 C CYS A 454 36.304 15.387 -15.904 1.00 0.00 C ATOM 582 O CYS A 454 36.573 16.428 -16.509 1.00 0.00 O ATOM 583 CB CYS A 454 36.527 15.756 -13.455 1.00 0.00 C ATOM 584 SG CYS A 454 34.770 15.445 -13.112 1.00 0.00 S ATOM 0 H CYS A 454 38.887 15.896 -14.209 1.00 0.00 H new ATOM 0 HA CYS A 454 36.906 13.929 -14.462 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.113 15.489 -12.576 1.00 0.00 H new ATOM 0 HB3 CYS A 454 36.672 16.823 -13.622 1.00 0.00 H new ATOM 589 N THR A 455 35.368 14.571 -16.277 1.00 0.00 N ATOM 590 CA THR A 455 34.620 14.782 -17.483 1.00 0.00 C ATOM 591 C THR A 455 33.160 15.164 -17.180 1.00 0.00 C ATOM 592 O THR A 455 32.306 15.193 -18.072 1.00 0.00 O ATOM 593 CB THR A 455 34.746 13.540 -18.426 1.00 0.00 C ATOM 594 OG1 THR A 455 33.622 13.404 -19.305 1.00 0.00 O ATOM 595 CG2 THR A 455 34.953 12.266 -17.627 1.00 0.00 C ATOM 0 H THR A 455 35.098 13.737 -15.755 1.00 0.00 H new ATOM 0 HA THR A 455 35.045 15.632 -18.016 1.00 0.00 H new ATOM 0 HB THR A 455 35.625 13.709 -19.048 1.00 0.00 H new ATOM 0 HG1 THR A 455 33.091 14.228 -19.287 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.037 11.419 -18.308 1.00 0.00 H new ATOM 0 HG22 THR A 455 35.866 12.350 -17.038 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.104 12.113 -16.960 1.00 0.00 H new ATOM 603 N ARG A 456 32.883 15.487 -15.923 1.00 0.00 N ATOM 604 CA ARG A 456 31.558 15.951 -15.548 1.00 0.00 C ATOM 605 C ARG A 456 31.376 17.396 -15.993 1.00 0.00 C ATOM 606 O ARG A 456 32.283 18.222 -15.829 1.00 0.00 O ATOM 607 CB ARG A 456 31.334 15.827 -14.034 1.00 0.00 C ATOM 608 CG ARG A 456 30.125 16.605 -13.524 1.00 0.00 C ATOM 609 CD ARG A 456 29.888 16.364 -12.049 1.00 0.00 C ATOM 610 NE ARG A 456 28.947 17.327 -11.472 1.00 0.00 N ATOM 611 CZ ARG A 456 27.687 17.048 -11.123 1.00 0.00 C ATOM 612 NH1 ARG A 456 27.166 15.855 -11.372 1.00 0.00 N ATOM 613 NH2 ARG A 456 26.946 17.978 -10.538 1.00 0.00 N ATOM 0 H ARG A 456 33.552 15.436 -15.155 1.00 0.00 H new ATOM 0 HA ARG A 456 30.819 15.324 -16.046 1.00 0.00 H new ATOM 0 HB2 ARG A 456 31.210 14.774 -13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.226 16.178 -13.514 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.277 17.670 -13.699 1.00 0.00 H new ATOM 0 HG3 ARG A 456 29.239 16.312 -14.088 1.00 0.00 H new ATOM 0 HD2 ARG A 456 29.504 15.354 -11.905 1.00 0.00 H new ATOM 0 HD3 ARG A 456 30.837 16.423 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 456 29.278 18.281 -11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 456 27.727 15.140 -11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 456 26.204 15.652 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.338 18.902 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 456 25.984 17.770 -10.270 1.00 0.00 H new ATOM 627 N ALA A 457 30.218 17.696 -16.554 1.00 0.00 N ATOM 628 CA ALA A 457 29.921 19.036 -17.025 1.00 0.00 C ATOM 629 C ALA A 457 29.814 20.002 -15.855 1.00 0.00 C ATOM 630 O ALA A 457 28.821 20.007 -15.120 1.00 0.00 O ATOM 631 CB ALA A 457 28.639 19.040 -17.846 1.00 0.00 C ATOM 0 H ALA A 457 29.464 17.024 -16.695 1.00 0.00 H new ATOM 0 HA ALA A 457 30.739 19.366 -17.666 1.00 0.00 H new ATOM 0 HB1 ALA A 457 28.431 20.053 -18.191 1.00 0.00 H new ATOM 0 HB2 ALA A 457 28.755 18.380 -18.706 1.00 0.00 H new ATOM 0 HB3 ALA A 457 27.811 18.690 -17.230 1.00 0.00 H new ATOM 637 N GLY A 458 30.850 20.791 -15.671 1.00 0.00 N ATOM 638 CA GLY A 458 30.873 21.749 -14.594 1.00 0.00 C ATOM 639 C GLY A 458 32.053 21.541 -13.673 1.00 0.00 C ATOM 640 O GLY A 458 32.471 22.466 -12.968 1.00 0.00 O ATOM 0 H GLY A 458 31.686 20.786 -16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 458 30.909 22.757 -15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 458 29.949 21.672 -14.021 1.00 0.00 H new ATOM 644 N CYS A 459 32.596 20.330 -13.673 1.00 0.00 N ATOM 645 CA CYS A 459 33.730 20.012 -12.825 1.00 0.00 C ATOM 646 C CYS A 459 35.033 20.218 -13.597 1.00 0.00 C ATOM 647 O CYS A 459 35.670 21.270 -13.489 1.00 0.00 O ATOM 648 CB CYS A 459 33.622 18.565 -12.305 1.00 0.00 C ATOM 649 SG CYS A 459 34.698 18.182 -10.874 1.00 0.00 S ATOM 0 H CYS A 459 32.268 19.556 -14.250 1.00 0.00 H new ATOM 0 HA CYS A 459 33.729 20.681 -11.965 1.00 0.00 H new ATOM 0 HB2 CYS A 459 32.587 18.370 -12.026 1.00 0.00 H new ATOM 0 HB3 CYS A 459 33.866 17.882 -13.119 1.00 0.00 H new ATOM 654 N GLY A 460 35.409 19.223 -14.395 1.00 0.00 N ATOM 655 CA GLY A 460 36.631 19.315 -15.178 1.00 0.00 C ATOM 656 C GLY A 460 37.870 19.384 -14.309 1.00 0.00 C ATOM 657 O GLY A 460 38.915 19.882 -14.740 1.00 0.00 O ATOM 0 H GLY A 460 34.889 18.353 -14.514 1.00 0.00 H new ATOM 0 HA2 GLY A 460 36.702 18.451 -15.839 1.00 0.00 H new ATOM 0 HA3 GLY A 460 36.586 20.200 -15.813 1.00 0.00 H new ATOM 661 N PHE A 461 37.751 18.889 -13.092 1.00 0.00 N ATOM 662 CA PHE A 461 38.845 18.907 -12.144 1.00 0.00 C ATOM 663 C PHE A 461 39.949 17.944 -12.569 1.00 0.00 C ATOM 664 O PHE A 461 39.702 16.760 -12.799 1.00 0.00 O ATOM 665 CB PHE A 461 38.329 18.546 -10.746 1.00 0.00 C ATOM 666 CG PHE A 461 39.363 18.650 -9.662 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.812 19.887 -9.232 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.879 17.512 -9.068 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.755 19.985 -8.230 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.822 17.603 -8.066 1.00 0.00 C ATOM 671 CZ PHE A 461 41.261 18.841 -7.646 1.00 0.00 C ATOM 0 H PHE A 461 36.895 18.464 -12.735 1.00 0.00 H new ATOM 0 HA PHE A 461 39.266 19.912 -12.119 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.493 19.201 -10.499 1.00 0.00 H new ATOM 0 HB3 PHE A 461 37.941 17.528 -10.766 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.420 20.785 -9.686 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.539 16.540 -9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.097 20.956 -7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.216 16.706 -7.611 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.999 18.915 -6.861 1.00 0.00 H new ATOM 681 N GLU A 462 41.157 18.461 -12.695 1.00 0.00 N ATOM 682 CA GLU A 462 42.299 17.641 -13.048 1.00 0.00 C ATOM 683 C GLU A 462 43.017 17.216 -11.791 1.00 0.00 C ATOM 684 O GLU A 462 43.261 18.036 -10.902 1.00 0.00 O ATOM 685 CB GLU A 462 43.254 18.398 -13.960 1.00 0.00 C ATOM 686 CG GLU A 462 42.614 18.895 -15.235 1.00 0.00 C ATOM 687 CD GLU A 462 43.592 19.614 -16.126 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.387 18.936 -16.801 1.00 0.00 O ATOM 689 OE2 GLU A 462 43.560 20.858 -16.170 1.00 0.00 O ATOM 0 H GLU A 462 41.372 19.448 -12.557 1.00 0.00 H new ATOM 0 HA GLU A 462 41.944 16.762 -13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 462 43.665 19.248 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.091 17.748 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.186 18.051 -15.776 1.00 0.00 H new ATOM 0 HG3 GLU A 462 41.791 19.566 -14.988 1.00 0.00 H new ATOM 696 N TRP A 463 43.354 15.951 -11.707 1.00 0.00 N ATOM 697 CA TRP A 463 43.993 15.434 -10.518 1.00 0.00 C ATOM 698 C TRP A 463 44.936 14.285 -10.821 1.00 0.00 C ATOM 699 O TRP A 463 44.857 13.659 -11.889 1.00 0.00 O ATOM 700 CB TRP A 463 42.938 15.018 -9.483 1.00 0.00 C ATOM 701 CG TRP A 463 41.845 14.120 -10.007 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.747 14.498 -10.731 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.730 12.707 -9.818 1.00 0.00 C ATOM 704 NE1 TRP A 463 39.963 13.406 -11.002 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.541 12.294 -10.453 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.516 11.752 -9.178 1.00 0.00 C ATOM 707 CZ2 TRP A 463 40.121 10.970 -10.458 1.00 0.00 C ATOM 708 CZ3 TRP A 463 42.099 10.434 -9.185 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.912 10.053 -9.821 1.00 0.00 C ATOM 0 H TRP A 463 43.198 15.263 -12.443 1.00 0.00 H new ATOM 0 HA TRP A 463 44.601 16.237 -10.101 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.440 14.510 -8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.481 15.918 -9.071 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.530 15.509 -11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.089 13.420 -11.528 1.00 0.00 H new ATOM 0 HE3 TRP A 463 43.434 12.036 -8.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 39.204 10.675 -10.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 42.700 9.685 -8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 463 40.614 9.015 -9.809 1.00 0.00 H new ATOM 720 N CYS A 464 45.842 14.022 -9.888 1.00 0.00 N ATOM 721 CA CYS A 464 46.785 12.954 -10.041 1.00 0.00 C ATOM 722 C CYS A 464 46.271 11.680 -9.383 1.00 0.00 C ATOM 723 O CYS A 464 45.816 11.694 -8.248 1.00 0.00 O ATOM 724 CB CYS A 464 48.162 13.358 -9.510 1.00 0.00 C ATOM 725 SG CYS A 464 48.209 13.935 -7.784 1.00 0.00 S ATOM 0 H CYS A 464 45.933 14.545 -9.017 1.00 0.00 H new ATOM 0 HA CYS A 464 46.900 12.746 -11.105 1.00 0.00 H new ATOM 0 HB2 CYS A 464 48.832 12.504 -9.606 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.559 14.148 -10.148 1.00 0.00 H new ATOM 730 N TRP A 465 46.372 10.597 -10.118 1.00 0.00 N ATOM 731 CA TRP A 465 45.851 9.280 -9.731 1.00 0.00 C ATOM 732 C TRP A 465 46.186 8.873 -8.272 1.00 0.00 C ATOM 733 O TRP A 465 45.286 8.678 -7.457 1.00 0.00 O ATOM 734 CB TRP A 465 46.406 8.247 -10.711 1.00 0.00 C ATOM 735 CG TRP A 465 45.763 6.916 -10.663 1.00 0.00 C ATOM 736 CD1 TRP A 465 45.811 6.001 -9.655 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.000 6.333 -11.704 1.00 0.00 C ATOM 738 NE1 TRP A 465 45.082 4.892 -9.999 1.00 0.00 N ATOM 739 CE2 TRP A 465 44.577 5.072 -11.260 1.00 0.00 C ATOM 740 CE3 TRP A 465 44.620 6.769 -12.974 1.00 0.00 C ATOM 741 CZ2 TRP A 465 43.794 4.236 -12.043 1.00 0.00 C ATOM 742 CZ3 TRP A 465 43.848 5.939 -13.750 1.00 0.00 C ATOM 743 CH2 TRP A 465 43.439 4.684 -13.284 1.00 0.00 C ATOM 0 H TRP A 465 46.829 10.594 -11.030 1.00 0.00 H new ATOM 0 HA TRP A 465 44.763 9.328 -9.773 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.309 8.642 -11.722 1.00 0.00 H new ATOM 0 HB3 TRP A 465 47.472 8.124 -10.518 1.00 0.00 H new ATOM 0 HD1 TRP A 465 46.344 6.130 -8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 465 44.939 4.069 -9.413 1.00 0.00 H new ATOM 0 HE3 TRP A 465 44.926 7.738 -13.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 43.477 3.268 -11.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.551 6.261 -14.737 1.00 0.00 H new ATOM 0 HH2 TRP A 465 42.830 4.057 -13.919 1.00 0.00 H new ATOM 754 N VAL A 466 47.476 8.744 -7.969 1.00 0.00 N ATOM 755 CA VAL A 466 47.931 8.265 -6.646 1.00 0.00 C ATOM 756 C VAL A 466 47.450 9.150 -5.471 1.00 0.00 C ATOM 757 O VAL A 466 47.067 8.635 -4.416 1.00 0.00 O ATOM 758 CB VAL A 466 49.477 8.139 -6.592 1.00 0.00 C ATOM 759 CG1 VAL A 466 49.945 7.647 -5.238 1.00 0.00 C ATOM 760 CG2 VAL A 466 49.983 7.227 -7.691 1.00 0.00 C ATOM 0 H VAL A 466 48.233 8.962 -8.616 1.00 0.00 H new ATOM 0 HA VAL A 466 47.475 7.282 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 466 49.893 9.134 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.032 7.570 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.629 8.349 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.511 6.667 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.069 7.155 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 466 49.546 6.236 -7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 466 49.698 7.634 -8.661 1.00 0.00 H new ATOM 770 N CYS A 467 47.463 10.463 -5.654 1.00 0.00 N ATOM 771 CA CYS A 467 47.094 11.381 -4.575 1.00 0.00 C ATOM 772 C CYS A 467 45.588 11.614 -4.526 1.00 0.00 C ATOM 773 O CYS A 467 45.022 11.851 -3.456 1.00 0.00 O ATOM 774 CB CYS A 467 47.813 12.720 -4.747 1.00 0.00 C ATOM 775 SG CYS A 467 49.636 12.619 -4.710 1.00 0.00 S ATOM 0 H CYS A 467 47.722 10.918 -6.530 1.00 0.00 H new ATOM 0 HA CYS A 467 47.399 10.920 -3.636 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.507 13.162 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 467 47.484 13.397 -3.959 1.00 0.00 H new ATOM 780 N GLN A 468 44.957 11.555 -5.691 1.00 0.00 N ATOM 781 CA GLN A 468 43.524 11.810 -5.839 1.00 0.00 C ATOM 782 C GLN A 468 43.226 13.285 -5.553 1.00 0.00 C ATOM 783 O GLN A 468 42.102 13.667 -5.218 1.00 0.00 O ATOM 784 CB GLN A 468 42.682 10.891 -4.939 1.00 0.00 C ATOM 785 CG GLN A 468 41.247 10.727 -5.424 1.00 0.00 C ATOM 786 CD GLN A 468 40.362 10.029 -4.420 1.00 0.00 C ATOM 787 OE1 GLN A 468 39.722 10.670 -3.587 1.00 0.00 O ATOM 788 NE2 GLN A 468 40.309 8.718 -4.492 1.00 0.00 N ATOM 0 H GLN A 468 45.425 11.328 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 468 43.244 11.585 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 468 43.156 9.911 -4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 468 42.673 11.294 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 468 40.830 11.709 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 468 41.246 10.161 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 468 40.855 8.223 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 468 39.722 8.195 -3.842 1.00 0.00 H new ATOM 797 N THR A 469 44.253 14.099 -5.689 1.00 0.00 N ATOM 798 CA THR A 469 44.148 15.530 -5.506 1.00 0.00 C ATOM 799 C THR A 469 44.677 16.216 -6.747 1.00 0.00 C ATOM 800 O THR A 469 45.262 15.562 -7.601 1.00 0.00 O ATOM 801 CB THR A 469 44.959 16.002 -4.277 1.00 0.00 C ATOM 802 OG1 THR A 469 46.321 15.561 -4.386 1.00 0.00 O ATOM 803 CG2 THR A 469 44.351 15.469 -2.985 1.00 0.00 C ATOM 0 H THR A 469 45.192 13.782 -5.932 1.00 0.00 H new ATOM 0 HA THR A 469 43.102 15.785 -5.338 1.00 0.00 H new ATOM 0 HB THR A 469 44.930 17.091 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 469 46.827 15.866 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 469 44.940 15.815 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 469 43.327 15.831 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 469 44.350 14.379 -3.006 1.00 0.00 H new ATOM 811 N GLU A 470 44.485 17.520 -6.850 1.00 0.00 N ATOM 812 CA GLU A 470 44.949 18.257 -8.018 1.00 0.00 C ATOM 813 C GLU A 470 46.461 18.144 -8.168 1.00 0.00 C ATOM 814 O GLU A 470 47.183 17.967 -7.181 1.00 0.00 O ATOM 815 CB GLU A 470 44.541 19.722 -7.934 1.00 0.00 C ATOM 816 CG GLU A 470 45.093 20.443 -6.725 1.00 0.00 C ATOM 817 CD GLU A 470 44.636 21.872 -6.658 1.00 0.00 C ATOM 818 OE1 GLU A 470 44.917 22.632 -7.602 1.00 0.00 O ATOM 819 OE2 GLU A 470 43.988 22.249 -5.663 1.00 0.00 O ATOM 0 H GLU A 470 44.015 18.089 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 470 44.479 17.815 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 470 44.877 20.235 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 470 43.453 19.786 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 470 44.782 19.921 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 470 46.182 20.413 -6.752 1.00 0.00 H new ATOM 826 N TRP A 471 46.924 18.236 -9.400 1.00 0.00 N ATOM 827 CA TRP A 471 48.347 18.156 -9.695 1.00 0.00 C ATOM 828 C TRP A 471 49.103 19.271 -8.967 1.00 0.00 C ATOM 829 O TRP A 471 48.626 20.408 -8.887 1.00 0.00 O ATOM 830 CB TRP A 471 48.590 18.225 -11.222 1.00 0.00 C ATOM 831 CG TRP A 471 48.426 19.596 -11.827 1.00 0.00 C ATOM 832 CD1 TRP A 471 49.428 20.411 -12.265 1.00 0.00 C ATOM 833 CD2 TRP A 471 47.199 20.310 -12.059 1.00 0.00 C ATOM 834 NE1 TRP A 471 48.907 21.581 -12.753 1.00 0.00 N ATOM 835 CE2 TRP A 471 47.544 21.546 -12.637 1.00 0.00 C ATOM 836 CE3 TRP A 471 45.846 20.028 -11.836 1.00 0.00 C ATOM 837 CZ2 TRP A 471 46.591 22.495 -12.992 1.00 0.00 C ATOM 838 CZ3 TRP A 471 44.903 20.974 -12.190 1.00 0.00 C ATOM 839 CH2 TRP A 471 45.281 22.192 -12.762 1.00 0.00 C ATOM 0 H TRP A 471 46.332 18.367 -10.220 1.00 0.00 H new ATOM 0 HA TRP A 471 48.725 17.198 -9.338 1.00 0.00 H new ATOM 0 HB2 TRP A 471 49.599 17.869 -11.432 1.00 0.00 H new ATOM 0 HB3 TRP A 471 47.901 17.540 -11.717 1.00 0.00 H new ATOM 0 HD1 TRP A 471 50.480 20.169 -12.232 1.00 0.00 H new ATOM 0 HE1 TRP A 471 49.448 22.354 -13.140 1.00 0.00 H new ATOM 0 HE3 TRP A 471 45.545 19.089 -11.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 46.878 23.438 -13.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 43.856 20.769 -12.022 1.00 0.00 H new ATOM 0 HH2 TRP A 471 44.519 22.909 -13.028 1.00 0.00 H new ATOM 850 N THR A 472 50.258 18.946 -8.423 1.00 0.00 N ATOM 851 CA THR A 472 51.028 19.911 -7.674 1.00 0.00 C ATOM 852 C THR A 472 52.531 19.676 -7.847 1.00 0.00 C ATOM 853 O THR A 472 52.954 18.620 -8.329 1.00 0.00 O ATOM 854 CB THR A 472 50.646 19.870 -6.167 1.00 0.00 C ATOM 855 OG1 THR A 472 51.329 20.906 -5.441 1.00 0.00 O ATOM 856 CG2 THR A 472 50.980 18.516 -5.554 1.00 0.00 C ATOM 0 H THR A 472 50.682 18.020 -8.487 1.00 0.00 H new ATOM 0 HA THR A 472 50.792 20.900 -8.067 1.00 0.00 H new ATOM 0 HB THR A 472 49.570 20.032 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 472 51.881 20.504 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 472 50.703 18.515 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 472 50.427 17.734 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 472 52.050 18.328 -5.648 1.00 0.00 H new ATOM 864 N ARG A 473 53.324 20.666 -7.453 1.00 0.00 N ATOM 865 CA ARG A 473 54.780 20.609 -7.558 1.00 0.00 C ATOM 866 C ARG A 473 55.354 19.478 -6.704 1.00 0.00 C ATOM 867 O ARG A 473 56.382 18.886 -7.044 1.00 0.00 O ATOM 868 CB ARG A 473 55.388 21.937 -7.103 1.00 0.00 C ATOM 869 CG ARG A 473 56.891 22.033 -7.310 1.00 0.00 C ATOM 870 CD ARG A 473 57.506 23.106 -6.428 1.00 0.00 C ATOM 871 NE ARG A 473 57.390 22.770 -4.999 1.00 0.00 N ATOM 872 CZ ARG A 473 58.422 22.414 -4.222 1.00 0.00 C ATOM 873 NH1 ARG A 473 59.650 22.361 -4.729 1.00 0.00 N ATOM 874 NH2 ARG A 473 58.223 22.118 -2.940 1.00 0.00 N ATOM 0 H ARG A 473 52.975 21.535 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 473 55.032 20.421 -8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 473 54.905 22.750 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 473 55.167 22.082 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 473 57.352 21.070 -7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 473 57.102 22.255 -8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 473 58.557 23.232 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 473 57.014 24.060 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 473 56.464 22.811 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 473 59.807 22.591 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 473 60.435 22.090 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 473 57.283 22.162 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 473 59.010 21.847 -2.351 1.00 0.00 H new ATOM 888 N ASP A 474 54.678 19.183 -5.604 1.00 0.00 N ATOM 889 CA ASP A 474 55.133 18.166 -4.652 1.00 0.00 C ATOM 890 C ASP A 474 55.349 16.812 -5.306 1.00 0.00 C ATOM 891 O ASP A 474 56.379 16.171 -5.091 1.00 0.00 O ATOM 892 CB ASP A 474 54.147 18.027 -3.492 1.00 0.00 C ATOM 893 CG ASP A 474 54.108 19.255 -2.618 1.00 0.00 C ATOM 894 OD1 ASP A 474 53.316 20.169 -2.907 1.00 0.00 O ATOM 895 OD2 ASP A 474 54.873 19.317 -1.638 1.00 0.00 O ATOM 0 H ASP A 474 53.802 19.636 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 474 56.096 18.507 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 474 53.150 17.835 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 474 54.422 17.163 -2.887 1.00 0.00 H new ATOM 900 N CYS A 475 54.402 16.378 -6.115 1.00 0.00 N ATOM 901 CA CYS A 475 54.507 15.076 -6.736 1.00 0.00 C ATOM 902 C CYS A 475 54.875 15.158 -8.220 1.00 0.00 C ATOM 903 O CYS A 475 54.632 14.212 -8.981 1.00 0.00 O ATOM 904 CB CYS A 475 53.224 14.280 -6.517 1.00 0.00 C ATOM 905 SG CYS A 475 51.687 15.137 -7.003 1.00 0.00 S ATOM 0 H CYS A 475 53.561 16.903 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 475 55.329 14.548 -6.252 1.00 0.00 H new ATOM 0 HB2 CYS A 475 53.294 13.347 -7.077 1.00 0.00 H new ATOM 0 HB3 CYS A 475 53.155 14.014 -5.462 1.00 0.00 H new ATOM 910 N MET A 476 55.481 16.270 -8.627 1.00 0.00 N ATOM 911 CA MET A 476 55.921 16.433 -10.013 1.00 0.00 C ATOM 912 C MET A 476 56.956 15.391 -10.370 1.00 0.00 C ATOM 913 O MET A 476 57.966 15.238 -9.683 1.00 0.00 O ATOM 914 CB MET A 476 56.473 17.837 -10.269 1.00 0.00 C ATOM 915 CG MET A 476 55.401 18.875 -10.543 1.00 0.00 C ATOM 916 SD MET A 476 56.068 20.545 -10.734 1.00 0.00 S ATOM 917 CE MET A 476 57.170 20.323 -12.132 1.00 0.00 C ATOM 0 H MET A 476 55.678 17.068 -8.023 1.00 0.00 H new ATOM 0 HA MET A 476 55.048 16.296 -10.651 1.00 0.00 H new ATOM 0 HB2 MET A 476 57.057 18.151 -9.404 1.00 0.00 H new ATOM 0 HB3 MET A 476 57.155 17.800 -11.118 1.00 0.00 H new ATOM 0 HG2 MET A 476 54.860 18.600 -11.448 1.00 0.00 H new ATOM 0 HG3 MET A 476 54.680 18.869 -9.726 1.00 0.00 H new ATOM 0 HE1 MET A 476 57.127 21.204 -12.773 1.00 0.00 H new ATOM 0 HE2 MET A 476 58.190 20.185 -11.773 1.00 0.00 H new ATOM 0 HE3 MET A 476 56.864 19.445 -12.701 1.00 0.00 H new ATOM 927 N GLY A 477 56.696 14.670 -11.435 1.00 0.00 N ATOM 928 CA GLY A 477 57.592 13.630 -11.858 1.00 0.00 C ATOM 929 C GLY A 477 57.162 12.277 -11.350 1.00 0.00 C ATOM 930 O GLY A 477 57.478 11.256 -11.948 1.00 0.00 O ATOM 0 H GLY A 477 55.870 14.788 -12.022 1.00 0.00 H new ATOM 0 HA2 GLY A 477 57.638 13.611 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 477 58.598 13.849 -11.500 1.00 0.00 H new ATOM 934 N ALA A 478 56.421 12.269 -10.252 1.00 0.00 N ATOM 935 CA ALA A 478 55.957 11.029 -9.657 1.00 0.00 C ATOM 936 C ALA A 478 54.643 10.578 -10.287 1.00 0.00 C ATOM 937 O ALA A 478 54.323 9.389 -10.291 1.00 0.00 O ATOM 938 CB ALA A 478 55.808 11.187 -8.150 1.00 0.00 C ATOM 0 H ALA A 478 56.129 13.111 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 478 56.702 10.257 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 478 55.459 10.249 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 478 56.772 11.451 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 478 55.086 11.975 -7.936 1.00 0.00 H new ATOM 944 N HIS A 479 53.879 11.531 -10.816 1.00 0.00 N ATOM 945 CA HIS A 479 52.608 11.210 -11.470 1.00 0.00 C ATOM 946 C HIS A 479 52.610 11.712 -12.910 1.00 0.00 C ATOM 947 O HIS A 479 53.653 12.069 -13.452 1.00 0.00 O ATOM 948 CB HIS A 479 51.415 11.854 -10.754 1.00 0.00 C ATOM 949 CG HIS A 479 51.256 11.553 -9.298 1.00 0.00 C ATOM 950 ND1 HIS A 479 52.103 11.732 -8.274 1.00 0.00 N flip ATOM 951 CD2 HIS A 479 50.070 11.148 -8.738 1.00 0.00 C flip ATOM 952 CE1 HIS A 479 51.444 11.464 -7.082 1.00 0.00 C flip ATOM 953 NE2 HIS A 479 50.229 11.118 -7.420 1.00 0.00 N flip ATOM 0 H HIS A 479 54.113 12.524 -10.806 1.00 0.00 H new ATOM 0 HA HIS A 479 52.506 10.125 -11.435 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.493 12.935 -10.870 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.504 11.543 -11.266 1.00 0.00 H new ATOM 0 HD1 HIS A 479 53.078 12.020 -8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 479 49.167 10.898 -9.275 1.00 0.00 H new ATOM 0 HE1 HIS A 479 51.850 11.528 -6.083 1.00 0.00 H new ATOM 961 N TRP A 480 51.400 11.745 -13.500 1.00 0.00 N ATOM 962 CA TRP A 480 51.135 12.208 -14.874 1.00 0.00 C ATOM 963 C TRP A 480 52.162 11.767 -15.911 1.00 0.00 C ATOM 964 O TRP A 480 52.452 12.501 -16.857 1.00 0.00 O ATOM 965 CB TRP A 480 50.856 13.721 -14.961 1.00 0.00 C ATOM 966 CG TRP A 480 51.771 14.609 -14.187 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.955 15.144 -14.597 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.545 15.089 -12.871 1.00 0.00 C ATOM 969 NE1 TRP A 480 53.479 15.934 -13.602 1.00 0.00 N ATOM 970 CE2 TRP A 480 52.628 15.914 -12.529 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.526 14.893 -11.950 1.00 0.00 C ATOM 972 CZ2 TRP A 480 52.714 16.549 -11.298 1.00 0.00 C ATOM 973 CZ3 TRP A 480 50.614 15.522 -10.724 1.00 0.00 C ATOM 974 CH2 TRP A 480 51.701 16.342 -10.410 1.00 0.00 C ATOM 0 H TRP A 480 50.554 11.441 -13.018 1.00 0.00 H new ATOM 0 HA TRP A 480 50.214 11.690 -15.142 1.00 0.00 H new ATOM 0 HB2 TRP A 480 50.899 14.017 -16.009 1.00 0.00 H new ATOM 0 HB3 TRP A 480 49.836 13.901 -14.620 1.00 0.00 H new ATOM 0 HD1 TRP A 480 53.413 14.973 -15.560 1.00 0.00 H new ATOM 0 HE1 TRP A 480 54.357 16.450 -13.654 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.682 14.262 -12.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 53.553 17.184 -11.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 49.830 15.378 -9.996 1.00 0.00 H new ATOM 0 HH2 TRP A 480 51.739 16.822 -9.443 1.00 0.00 H new ATOM 985 N PHE A 481 52.677 10.556 -15.763 1.00 0.00 N ATOM 986 CA PHE A 481 53.610 10.020 -16.734 1.00 0.00 C ATOM 987 C PHE A 481 53.371 8.533 -16.970 1.00 0.00 C ATOM 988 O PHE A 481 53.342 8.076 -18.108 1.00 0.00 O ATOM 989 CB PHE A 481 55.041 10.275 -16.296 1.00 0.00 C ATOM 990 CG PHE A 481 56.067 9.768 -17.267 1.00 0.00 C ATOM 991 CD1 PHE A 481 56.236 10.386 -18.493 1.00 0.00 C ATOM 992 CD2 PHE A 481 56.862 8.678 -16.953 1.00 0.00 C ATOM 993 CE1 PHE A 481 57.180 9.928 -19.390 1.00 0.00 C ATOM 994 CE2 PHE A 481 57.805 8.214 -17.846 1.00 0.00 C ATOM 995 CZ PHE A 481 57.965 8.840 -19.068 1.00 0.00 C ATOM 0 H PHE A 481 52.465 9.932 -14.985 1.00 0.00 H new ATOM 0 HA PHE A 481 53.443 10.535 -17.680 1.00 0.00 H new ATOM 0 HB2 PHE A 481 55.184 11.347 -16.156 1.00 0.00 H new ATOM 0 HB3 PHE A 481 55.205 9.803 -15.327 1.00 0.00 H new ATOM 0 HD1 PHE A 481 55.622 11.236 -18.751 1.00 0.00 H new ATOM 0 HD2 PHE A 481 56.742 8.186 -15.999 1.00 0.00 H new ATOM 0 HE1 PHE A 481 57.304 10.421 -20.343 1.00 0.00 H new ATOM 0 HE2 PHE A 481 58.418 7.362 -17.591 1.00 0.00 H new ATOM 0 HZ PHE A 481 58.703 8.478 -19.769 1.00 0.00 H new ATOM 1005 N GLY A 482 53.207 7.788 -15.891 1.00 0.00 N ATOM 1006 CA GLY A 482 52.951 6.370 -16.000 1.00 0.00 C ATOM 1007 C GLY A 482 53.717 5.578 -14.965 1.00 0.00 C ATOM 1008 O GLY A 482 53.994 6.124 -13.872 1.00 0.00 O ATOM 1009 OXT GLY A 482 54.054 4.409 -15.235 1.00 0.00 O ATOM 0 H GLY A 482 53.247 8.143 -14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 482 51.883 6.184 -15.883 1.00 0.00 H new ATOM 0 HA3 GLY A 482 53.227 6.027 -16.997 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.534 15.842 -10.937 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 50.180 13.566 -6.689 1.00 0.00 ZN