USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 533 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 442 ASN : amide:sc= 0 X(o=-0.39,f=-0.32) USER MOD Set 2.2: A 524 SER OG : rot -120:sc= -0.394 USER MOD Single : A 438 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 446 CYS SG : rot 21:sc= -1.02 USER MOD Single : A 454 TYR OH : rot 30:sc= -0.268 USER MOD Single : A 457 THR OG1 : rot 102:sc= 1.36 USER MOD Single : A 470 THR OG1 : rot 88:sc= 0.116 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 475 HIS : no HD1:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 478 HIS : no HE2:sc= 0.093 X(o=0.093,f=-0.4) USER MOD Single : A 479 MET CE :methyl 154:sc= 0 (180deg=-0.536) USER MOD Single : A 482 ASN : amide:sc= 0.87 K(o=0.87,f=-7!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 488 SER OG : rot 129:sc= 1.28 USER MOD Single : A 494 GLN : amide:sc= 1.1 K(o=1.1,f=-0.3) USER MOD Single : A 495 MET CE :methyl 172:sc= -2.9 (180deg=-3.65) USER MOD Single : A 496 LYS NZ :NH3+ -109:sc= -0.124 (180deg=-2.31!) USER MOD Single : A 497 SER OG : rot 90:sc= 0.877 USER MOD Single : A 503 MET CE :methyl 161:sc= -0.233 (180deg=-0.814) USER MOD Single : A 506 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 507 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0468) USER MOD Single : A 508 CYS SG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.109) USER MOD Single : A 511 LYS NZ :NH3+ -150:sc= 0.489 (180deg=-1.93!) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 513 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 514 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0661) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0.172 K(o=0.17,f=-2.8!) USER MOD Single : A 523 CYS SG : rot 180:sc= 0 USER MOD Single : A 528 MET CE :methyl 150:sc= 0 (180deg=-1.04) USER MOD Single : A 536 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 538 ASN : amide:sc= -0.0956 K(o=-0.096,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 438 2.491 11.445 -13.088 1.00 0.00 N ATOM 2 CA MET A 438 2.103 10.914 -11.785 1.00 52.33 C ATOM 3 C MET A 438 3.290 11.018 -10.846 1.00 43.14 C ATOM 4 O MET A 438 4.421 10.868 -11.280 1.00 72.14 O ATOM 5 CB MET A 438 1.654 9.431 -11.875 1.00 43.02 C ATOM 6 CG MET A 438 2.760 8.444 -12.250 1.00 73.44 C ATOM 7 SD MET A 438 2.224 6.727 -12.158 1.00 2.44 S ATOM 8 CE MET A 438 3.761 5.881 -12.539 1.00 62.33 C ATOM 0 HA MET A 438 1.259 11.496 -11.416 1.00 52.33 H new ATOM 0 HB2 MET A 438 1.234 9.135 -10.914 1.00 43.02 H new ATOM 0 HB3 MET A 438 0.853 9.353 -12.610 1.00 43.02 H new ATOM 0 HG2 MET A 438 3.104 8.659 -13.262 1.00 73.44 H new ATOM 0 HG3 MET A 438 3.612 8.590 -11.586 1.00 73.44 H new ATOM 0 HE1 MET A 438 3.597 4.804 -12.522 1.00 62.33 H new ATOM 0 HE2 MET A 438 4.105 6.180 -13.529 1.00 62.33 H new ATOM 0 HE3 MET A 438 4.515 6.145 -11.798 1.00 62.33 H new ATOM 20 N PRO A 439 3.073 11.313 -9.566 1.00 4.41 N ATOM 21 CA PRO A 439 4.147 11.341 -8.608 1.00 31.01 C ATOM 22 C PRO A 439 4.413 9.941 -8.010 1.00 42.22 C ATOM 23 O PRO A 439 3.580 9.407 -7.277 1.00 62.25 O ATOM 24 CB PRO A 439 3.645 12.304 -7.525 1.00 72.01 C ATOM 25 CG PRO A 439 2.146 12.333 -7.655 1.00 0.11 C ATOM 26 CD PRO A 439 1.780 11.669 -8.960 1.00 63.10 C ATOM 0 HA PRO A 439 5.091 11.652 -9.056 1.00 31.01 H new ATOM 0 HB2 PRO A 439 3.944 11.965 -6.533 1.00 72.01 H new ATOM 0 HB3 PRO A 439 4.067 13.299 -7.662 1.00 72.01 H new ATOM 0 HG2 PRO A 439 1.680 11.812 -6.818 1.00 0.11 H new ATOM 0 HG3 PRO A 439 1.781 13.360 -7.634 1.00 0.11 H new ATOM 0 HD2 PRO A 439 1.161 10.786 -8.797 1.00 63.10 H new ATOM 0 HD3 PRO A 439 1.212 12.342 -9.602 1.00 63.10 H new ATOM 34 N PRO A 440 5.571 9.313 -8.332 1.00 54.01 N ATOM 35 CA PRO A 440 5.962 7.997 -7.788 1.00 12.01 C ATOM 36 C PRO A 440 6.610 8.147 -6.397 1.00 43.41 C ATOM 37 O PRO A 440 7.239 7.216 -5.845 1.00 24.25 O ATOM 38 CB PRO A 440 6.987 7.473 -8.813 1.00 43.33 C ATOM 39 CG PRO A 440 7.056 8.513 -9.893 1.00 32.23 C ATOM 40 CD PRO A 440 6.581 9.791 -9.275 1.00 35.13 C ATOM 0 HA PRO A 440 5.114 7.326 -7.652 1.00 12.01 H new ATOM 0 HB2 PRO A 440 7.963 7.326 -8.350 1.00 43.33 H new ATOM 0 HB3 PRO A 440 6.677 6.509 -9.218 1.00 43.33 H new ATOM 0 HG2 PRO A 440 8.074 8.617 -10.268 1.00 32.23 H new ATOM 0 HG3 PRO A 440 6.430 8.235 -10.741 1.00 32.23 H new ATOM 0 HD2 PRO A 440 7.387 10.326 -8.773 1.00 35.13 H new ATOM 0 HD3 PRO A 440 6.159 10.471 -10.015 1.00 35.13 H new ATOM 48 N THR A 441 6.463 9.335 -5.880 1.00 45.23 N ATOM 49 CA THR A 441 6.886 9.755 -4.576 1.00 1.15 C ATOM 50 C THR A 441 5.978 9.064 -3.518 1.00 51.53 C ATOM 51 O THR A 441 5.016 8.359 -3.885 1.00 73.51 O ATOM 52 CB THR A 441 6.689 11.292 -4.540 1.00 52.52 C ATOM 53 OG1 THR A 441 7.243 11.845 -5.756 1.00 10.34 O ATOM 54 CG2 THR A 441 7.384 11.942 -3.352 1.00 53.40 C ATOM 0 H THR A 441 6.011 10.089 -6.398 1.00 45.23 H new ATOM 0 HA THR A 441 7.922 9.493 -4.363 1.00 1.15 H new ATOM 0 HB THR A 441 5.622 11.493 -4.448 1.00 52.52 H new ATOM 0 HG1 THR A 441 7.127 12.818 -5.755 1.00 10.34 H new ATOM 0 HG21 THR A 441 7.214 13.018 -3.375 1.00 53.40 H new ATOM 0 HG22 THR A 441 6.982 11.531 -2.426 1.00 53.40 H new ATOM 0 HG23 THR A 441 8.454 11.743 -3.403 1.00 53.40 H new ATOM 62 N ASN A 442 6.286 9.215 -2.242 1.00 35.13 N ATOM 63 CA ASN A 442 5.451 8.653 -1.193 1.00 32.33 C ATOM 64 C ASN A 442 4.129 9.402 -1.117 1.00 4.33 C ATOM 65 O ASN A 442 4.011 10.440 -0.463 1.00 44.01 O ATOM 66 CB ASN A 442 6.159 8.667 0.171 1.00 62.32 C ATOM 67 CG ASN A 442 5.364 7.968 1.273 1.00 12.51 C ATOM 68 OD1 ASN A 442 4.555 8.585 1.973 1.00 4.44 O ATOM 69 ND2 ASN A 442 5.607 6.694 1.450 1.00 3.11 N ATOM 0 H ASN A 442 7.106 9.721 -1.907 1.00 35.13 H new ATOM 0 HA ASN A 442 5.256 7.611 -1.446 1.00 32.33 H new ATOM 0 HB2 ASN A 442 7.131 8.185 0.073 1.00 62.32 H new ATOM 0 HB3 ASN A 442 6.344 9.700 0.466 1.00 62.32 H new ATOM 0 HD21 ASN A 442 5.121 6.179 2.185 1.00 3.11 H new ATOM 0 HD22 ASN A 442 6.282 6.216 0.853 1.00 3.11 H new ATOM 76 N VAL A 443 3.193 8.948 -1.903 1.00 22.03 N ATOM 77 CA VAL A 443 1.846 9.439 -1.904 1.00 35.03 C ATOM 78 C VAL A 443 0.961 8.249 -1.660 1.00 2.21 C ATOM 79 O VAL A 443 0.896 7.328 -2.495 1.00 13.14 O ATOM 80 CB VAL A 443 1.452 10.112 -3.255 1.00 42.44 C ATOM 81 CG1 VAL A 443 0.023 10.641 -3.192 1.00 71.50 C ATOM 82 CG2 VAL A 443 2.408 11.243 -3.607 1.00 50.03 C ATOM 0 H VAL A 443 3.353 8.203 -2.581 1.00 22.03 H new ATOM 0 HA VAL A 443 1.739 10.206 -1.137 1.00 35.03 H new ATOM 0 HB VAL A 443 1.517 9.353 -4.034 1.00 42.44 H new ATOM 0 HG11 VAL A 443 -0.235 11.107 -4.143 1.00 71.50 H new ATOM 0 HG12 VAL A 443 -0.662 9.816 -2.995 1.00 71.50 H new ATOM 0 HG13 VAL A 443 -0.057 11.378 -2.393 1.00 71.50 H new ATOM 0 HG21 VAL A 443 2.107 11.692 -4.554 1.00 50.03 H new ATOM 0 HG22 VAL A 443 2.382 11.999 -2.822 1.00 50.03 H new ATOM 0 HG23 VAL A 443 3.420 10.849 -3.698 1.00 50.03 H new ATOM 92 N ARG A 444 0.349 8.217 -0.515 1.00 52.05 N ATOM 93 CA ARG A 444 -0.459 7.096 -0.135 1.00 4.21 C ATOM 94 C ARG A 444 -1.923 7.235 -0.476 1.00 22.20 C ATOM 95 O ARG A 444 -2.756 7.491 0.372 1.00 30.13 O ATOM 96 CB ARG A 444 -0.173 6.638 1.306 1.00 13.30 C ATOM 97 CG ARG A 444 -0.208 7.743 2.349 1.00 72.23 C ATOM 98 CD ARG A 444 0.396 7.277 3.666 1.00 34.32 C ATOM 99 NE ARG A 444 -0.403 6.242 4.337 1.00 4.51 N ATOM 100 CZ ARG A 444 -0.050 4.949 4.478 1.00 14.24 C ATOM 101 NH1 ARG A 444 1.051 4.477 3.893 1.00 65.12 N ATOM 102 NH2 ARG A 444 -0.797 4.137 5.216 1.00 44.34 N ATOM 0 H ARG A 444 0.394 8.963 0.180 1.00 52.05 H new ATOM 0 HA ARG A 444 -0.144 6.270 -0.773 1.00 4.21 H new ATOM 0 HB2 ARG A 444 -0.902 5.876 1.581 1.00 13.30 H new ATOM 0 HB3 ARG A 444 0.808 6.164 1.333 1.00 13.30 H new ATOM 0 HG2 ARG A 444 0.340 8.611 1.982 1.00 72.23 H new ATOM 0 HG3 ARG A 444 -1.238 8.061 2.511 1.00 72.23 H new ATOM 0 HD2 ARG A 444 1.398 6.890 3.482 1.00 34.32 H new ATOM 0 HD3 ARG A 444 0.502 8.133 4.332 1.00 34.32 H new ATOM 0 HE ARG A 444 -1.301 6.526 4.729 1.00 4.51 H new ATOM 0 HH11 ARG A 444 1.636 5.096 3.332 1.00 65.12 H new ATOM 0 HH12 ARG A 444 1.309 3.497 4.007 1.00 65.12 H new ATOM 0 HH21 ARG A 444 -1.636 4.492 5.675 1.00 44.34 H new ATOM 0 HH22 ARG A 444 -0.532 3.158 5.324 1.00 44.34 H new ATOM 116 N ASP A 445 -2.213 7.100 -1.747 1.00 45.14 N ATOM 117 CA ASP A 445 -3.589 7.146 -2.257 1.00 34.40 C ATOM 118 C ASP A 445 -3.955 5.787 -2.798 1.00 52.14 C ATOM 119 O ASP A 445 -5.013 5.598 -3.414 1.00 2.12 O ATOM 120 CB ASP A 445 -3.764 8.216 -3.371 1.00 31.22 C ATOM 121 CG ASP A 445 -2.998 7.922 -4.662 1.00 52.45 C ATOM 122 OD1 ASP A 445 -1.913 7.302 -4.612 1.00 13.43 O ATOM 123 OD2 ASP A 445 -3.433 8.379 -5.755 1.00 30.01 O ATOM 0 H ASP A 445 -1.509 6.954 -2.471 1.00 45.14 H new ATOM 0 HA ASP A 445 -4.247 7.422 -1.433 1.00 34.40 H new ATOM 0 HB2 ASP A 445 -4.825 8.307 -3.606 1.00 31.22 H new ATOM 0 HB3 ASP A 445 -3.439 9.182 -2.983 1.00 31.22 H new ATOM 128 N CYS A 446 -3.099 4.830 -2.544 1.00 13.43 N ATOM 129 CA CYS A 446 -3.292 3.521 -3.053 1.00 15.11 C ATOM 130 C CYS A 446 -3.699 2.606 -1.915 1.00 73.10 C ATOM 131 O CYS A 446 -3.252 2.757 -0.779 1.00 45.10 O ATOM 132 CB CYS A 446 -2.020 3.027 -3.700 1.00 5.54 C ATOM 133 SG CYS A 446 -1.249 4.231 -4.828 1.00 4.01 S ATOM 0 H CYS A 446 -2.257 4.948 -1.980 1.00 13.43 H new ATOM 0 HA CYS A 446 -4.078 3.529 -3.808 1.00 15.11 H new ATOM 0 HB2 CYS A 446 -1.305 2.766 -2.920 1.00 5.54 H new ATOM 0 HB3 CYS A 446 -2.237 2.113 -4.253 1.00 5.54 H new ATOM 0 HG CYS A 446 -1.678 5.426 -4.547 1.00 4.01 H new ATOM 139 N ILE A 447 -4.545 1.704 -2.212 1.00 42.13 N ATOM 140 CA ILE A 447 -5.101 0.795 -1.263 1.00 64.15 C ATOM 141 C ILE A 447 -4.785 -0.646 -1.668 1.00 71.33 C ATOM 142 O ILE A 447 -4.701 -0.966 -2.858 1.00 64.13 O ATOM 143 CB ILE A 447 -6.637 0.944 -1.237 1.00 11.41 C ATOM 144 CG1 ILE A 447 -7.035 2.418 -1.346 1.00 0.11 C ATOM 145 CG2 ILE A 447 -7.197 0.335 0.018 1.00 32.10 C ATOM 146 CD1 ILE A 447 -8.501 2.701 -1.069 1.00 12.03 C ATOM 0 H ILE A 447 -4.892 1.562 -3.160 1.00 42.13 H new ATOM 0 HA ILE A 447 -4.674 1.018 -0.285 1.00 64.15 H new ATOM 0 HB ILE A 447 -7.053 0.415 -2.094 1.00 11.41 H new ATOM 0 HG12 ILE A 447 -6.429 2.996 -0.649 1.00 0.11 H new ATOM 0 HG13 ILE A 447 -6.793 2.772 -2.348 1.00 0.11 H new ATOM 0 HG21 ILE A 447 -8.281 0.447 0.024 1.00 32.10 H new ATOM 0 HG22 ILE A 447 -6.941 -0.724 0.054 1.00 32.10 H new ATOM 0 HG23 ILE A 447 -6.775 0.840 0.887 1.00 32.10 H new ATOM 0 HD11 ILE A 447 -8.691 3.770 -1.169 1.00 12.03 H new ATOM 0 HD12 ILE A 447 -9.118 2.155 -1.782 1.00 12.03 H new ATOM 0 HD13 ILE A 447 -8.748 2.382 -0.056 1.00 12.03 H new ATOM 158 N ARG A 448 -4.641 -1.484 -0.687 1.00 5.04 N ATOM 159 CA ARG A 448 -4.405 -2.891 -0.857 1.00 52.13 C ATOM 160 C ARG A 448 -5.459 -3.625 -0.049 1.00 12.32 C ATOM 161 O ARG A 448 -5.589 -3.403 1.152 1.00 5.53 O ATOM 162 CB ARG A 448 -2.999 -3.250 -0.375 1.00 32.34 C ATOM 163 CG ARG A 448 -2.638 -4.724 -0.490 1.00 74.15 C ATOM 164 CD ARG A 448 -1.191 -4.969 -0.072 1.00 71.34 C ATOM 165 NE ARG A 448 -0.935 -4.593 1.332 1.00 25.11 N ATOM 166 CZ ARG A 448 -0.154 -3.575 1.741 1.00 21.12 C ATOM 167 NH1 ARG A 448 0.420 -2.755 0.863 1.00 70.34 N ATOM 168 NH2 ARG A 448 0.044 -3.384 3.028 1.00 10.41 N ATOM 0 H ARG A 448 -4.686 -1.199 0.291 1.00 5.04 H new ATOM 0 HA ARG A 448 -4.471 -3.175 -1.907 1.00 52.13 H new ATOM 0 HB2 ARG A 448 -2.276 -2.668 -0.946 1.00 32.34 H new ATOM 0 HB3 ARG A 448 -2.900 -2.947 0.667 1.00 32.34 H new ATOM 0 HG2 ARG A 448 -3.306 -5.315 0.136 1.00 74.15 H new ATOM 0 HG3 ARG A 448 -2.785 -5.059 -1.517 1.00 74.15 H new ATOM 0 HD2 ARG A 448 -0.950 -6.023 -0.212 1.00 71.34 H new ATOM 0 HD3 ARG A 448 -0.527 -4.401 -0.723 1.00 71.34 H new ATOM 0 HE ARG A 448 -1.389 -5.152 2.055 1.00 25.11 H new ATOM 0 HH11 ARG A 448 0.271 -2.893 -0.137 1.00 70.34 H new ATOM 0 HH12 ARG A 448 1.009 -1.989 1.190 1.00 70.34 H new ATOM 0 HH21 ARG A 448 -0.393 -4.005 3.709 1.00 10.41 H new ATOM 0 HH22 ARG A 448 0.634 -2.615 3.345 1.00 10.41 H new ATOM 182 N LEU A 449 -6.215 -4.457 -0.692 1.00 31.05 N ATOM 183 CA LEU A 449 -7.312 -5.132 -0.056 1.00 64.43 C ATOM 184 C LEU A 449 -6.965 -6.592 0.119 1.00 31.05 C ATOM 185 O LEU A 449 -6.170 -7.128 -0.643 1.00 54.45 O ATOM 186 CB LEU A 449 -8.533 -5.084 -0.965 1.00 53.04 C ATOM 187 CG LEU A 449 -8.908 -3.742 -1.587 1.00 24.51 C ATOM 188 CD1 LEU A 449 -10.113 -3.921 -2.468 1.00 21.45 C ATOM 189 CD2 LEU A 449 -9.203 -2.708 -0.535 1.00 24.33 C ATOM 0 H LEU A 449 -6.092 -4.691 -1.677 1.00 31.05 H new ATOM 0 HA LEU A 449 -7.511 -4.650 0.901 1.00 64.43 H new ATOM 0 HB2 LEU A 449 -8.375 -5.796 -1.775 1.00 53.04 H new ATOM 0 HB3 LEU A 449 -9.390 -5.438 -0.393 1.00 53.04 H new ATOM 0 HG LEU A 449 -8.060 -3.391 -2.175 1.00 24.51 H new ATOM 0 HD11 LEU A 449 -10.383 -2.964 -2.914 1.00 21.45 H new ATOM 0 HD12 LEU A 449 -9.884 -4.637 -3.257 1.00 21.45 H new ATOM 0 HD13 LEU A 449 -10.947 -4.292 -1.873 1.00 21.45 H new ATOM 0 HD21 LEU A 449 -9.466 -1.765 -1.015 1.00 24.33 H new ATOM 0 HD22 LEU A 449 -10.035 -3.045 0.083 1.00 24.33 H new ATOM 0 HD23 LEU A 449 -8.322 -2.563 0.090 1.00 24.33 H new ATOM 201 N ARG A 450 -7.558 -7.206 1.094 1.00 14.35 N ATOM 202 CA ARG A 450 -7.462 -8.635 1.319 1.00 61.40 C ATOM 203 C ARG A 450 -8.821 -9.112 1.789 1.00 55.50 C ATOM 204 O ARG A 450 -9.524 -8.365 2.444 1.00 11.00 O ATOM 205 CB ARG A 450 -6.428 -8.966 2.409 1.00 35.40 C ATOM 206 CG ARG A 450 -6.329 -10.462 2.708 1.00 0.31 C ATOM 207 CD ARG A 450 -5.631 -10.750 4.019 1.00 0.14 C ATOM 208 NE ARG A 450 -4.227 -10.353 4.037 1.00 45.33 N ATOM 209 CZ ARG A 450 -3.575 -9.979 5.140 1.00 0.34 C ATOM 210 NH1 ARG A 450 -4.252 -9.751 6.269 1.00 43.01 N ATOM 211 NH2 ARG A 450 -2.254 -9.808 5.112 1.00 10.13 N ATOM 0 H ARG A 450 -8.140 -6.725 1.780 1.00 14.35 H new ATOM 0 HA ARG A 450 -7.151 -9.122 0.395 1.00 61.40 H new ATOM 0 HB2 ARG A 450 -5.450 -8.598 2.097 1.00 35.40 H new ATOM 0 HB3 ARG A 450 -6.691 -8.435 3.324 1.00 35.40 H new ATOM 0 HG2 ARG A 450 -7.331 -10.891 2.733 1.00 0.31 H new ATOM 0 HG3 ARG A 450 -5.791 -10.955 1.899 1.00 0.31 H new ATOM 0 HD2 ARG A 450 -6.156 -10.232 4.821 1.00 0.14 H new ATOM 0 HD3 ARG A 450 -5.700 -11.817 4.230 1.00 0.14 H new ATOM 0 HE ARG A 450 -3.714 -10.362 3.155 1.00 45.33 H new ATOM 0 HH11 ARG A 450 -5.266 -9.863 6.287 1.00 43.01 H new ATOM 0 HH12 ARG A 450 -3.755 -9.465 7.113 1.00 43.01 H new ATOM 0 HH21 ARG A 450 -1.738 -9.963 4.246 1.00 10.13 H new ATOM 0 HH22 ARG A 450 -1.759 -9.522 5.957 1.00 10.13 H new ATOM 225 N GLY A 451 -9.187 -10.319 1.451 1.00 15.05 N ATOM 226 CA GLY A 451 -10.420 -10.871 1.950 1.00 34.32 C ATOM 227 C GLY A 451 -11.629 -10.523 1.120 1.00 23.43 C ATOM 228 O GLY A 451 -12.710 -10.325 1.652 1.00 61.53 O ATOM 0 H GLY A 451 -8.655 -10.936 0.837 1.00 15.05 H new ATOM 0 HA2 GLY A 451 -10.326 -11.956 2.000 1.00 34.32 H new ATOM 0 HA3 GLY A 451 -10.578 -10.518 2.969 1.00 34.32 H new ATOM 232 N LEU A 452 -11.456 -10.428 -0.167 1.00 24.12 N ATOM 233 CA LEU A 452 -12.573 -10.221 -1.046 1.00 23.14 C ATOM 234 C LEU A 452 -13.238 -11.556 -1.323 1.00 74.42 C ATOM 235 O LEU A 452 -12.540 -12.584 -1.412 1.00 41.13 O ATOM 236 CB LEU A 452 -12.148 -9.578 -2.369 1.00 71.43 C ATOM 237 CG LEU A 452 -11.576 -8.165 -2.300 1.00 21.24 C ATOM 238 CD1 LEU A 452 -11.210 -7.699 -3.691 1.00 40.20 C ATOM 239 CD2 LEU A 452 -12.577 -7.204 -1.670 1.00 63.43 C ATOM 0 H LEU A 452 -10.551 -10.491 -0.633 1.00 24.12 H new ATOM 0 HA LEU A 452 -13.269 -9.540 -0.556 1.00 23.14 H new ATOM 0 HB2 LEU A 452 -11.403 -10.223 -2.835 1.00 71.43 H new ATOM 0 HB3 LEU A 452 -13.014 -9.561 -3.031 1.00 71.43 H new ATOM 0 HG LEU A 452 -10.683 -8.180 -1.676 1.00 21.24 H new ATOM 0 HD11 LEU A 452 -10.802 -6.690 -3.641 1.00 40.20 H new ATOM 0 HD12 LEU A 452 -10.465 -8.371 -4.116 1.00 40.20 H new ATOM 0 HD13 LEU A 452 -12.100 -7.699 -4.321 1.00 40.20 H new ATOM 0 HD21 LEU A 452 -12.146 -6.203 -1.632 1.00 63.43 H new ATOM 0 HD22 LEU A 452 -13.488 -7.184 -2.268 1.00 63.43 H new ATOM 0 HD23 LEU A 452 -12.813 -7.536 -0.659 1.00 63.43 H new ATOM 251 N PRO A 453 -14.587 -11.578 -1.413 1.00 62.11 N ATOM 252 CA PRO A 453 -15.342 -12.777 -1.737 1.00 75.22 C ATOM 253 C PRO A 453 -14.870 -13.438 -3.016 1.00 62.10 C ATOM 254 O PRO A 453 -14.195 -12.820 -3.871 1.00 75.53 O ATOM 255 CB PRO A 453 -16.760 -12.285 -1.971 1.00 52.22 C ATOM 256 CG PRO A 453 -16.862 -10.979 -1.281 1.00 54.14 C ATOM 257 CD PRO A 453 -15.468 -10.432 -1.143 1.00 15.44 C ATOM 0 HA PRO A 453 -15.236 -13.511 -0.938 1.00 75.22 H new ATOM 0 HB2 PRO A 453 -16.965 -12.180 -3.036 1.00 52.22 H new ATOM 0 HB3 PRO A 453 -17.488 -12.993 -1.575 1.00 52.22 H new ATOM 0 HG2 PRO A 453 -17.489 -10.292 -1.850 1.00 54.14 H new ATOM 0 HG3 PRO A 453 -17.326 -11.098 -0.302 1.00 54.14 H new ATOM 0 HD2 PRO A 453 -15.290 -9.621 -1.849 1.00 15.44 H new ATOM 0 HD3 PRO A 453 -15.298 -10.029 -0.145 1.00 15.44 H new ATOM 265 N TYR A 454 -15.271 -14.654 -3.170 1.00 12.12 N ATOM 266 CA TYR A 454 -14.943 -15.436 -4.299 1.00 73.45 C ATOM 267 C TYR A 454 -15.690 -14.949 -5.494 1.00 24.05 C ATOM 268 O TYR A 454 -16.885 -15.214 -5.669 1.00 64.41 O ATOM 269 CB TYR A 454 -15.184 -16.918 -4.067 1.00 41.12 C ATOM 270 CG TYR A 454 -14.870 -17.786 -5.278 1.00 41.32 C ATOM 271 CD1 TYR A 454 -15.889 -18.357 -6.036 1.00 3.12 C ATOM 272 CD2 TYR A 454 -13.559 -18.014 -5.671 1.00 74.33 C ATOM 273 CE1 TYR A 454 -15.608 -19.127 -7.146 1.00 44.30 C ATOM 274 CE2 TYR A 454 -13.271 -18.783 -6.777 1.00 63.41 C ATOM 275 CZ TYR A 454 -14.299 -19.338 -7.510 1.00 25.12 C ATOM 276 OH TYR A 454 -14.010 -20.105 -8.615 1.00 34.20 O ATOM 0 H TYR A 454 -15.854 -15.141 -2.489 1.00 12.12 H new ATOM 0 HA TYR A 454 -13.874 -15.322 -4.480 1.00 73.45 H new ATOM 0 HB2 TYR A 454 -14.575 -17.249 -3.226 1.00 41.12 H new ATOM 0 HB3 TYR A 454 -16.226 -17.068 -3.784 1.00 41.12 H new ATOM 0 HD1 TYR A 454 -16.918 -18.194 -5.750 1.00 3.12 H new ATOM 0 HD2 TYR A 454 -12.751 -17.581 -5.100 1.00 74.33 H new ATOM 0 HE1 TYR A 454 -16.410 -19.561 -7.725 1.00 44.30 H new ATOM 0 HE2 TYR A 454 -12.245 -18.951 -7.069 1.00 63.41 H new ATOM 0 HH TYR A 454 -14.737 -20.025 -9.268 1.00 34.20 H new ATOM 286 N ALA A 455 -15.010 -14.101 -6.176 1.00 41.24 N ATOM 287 CA ALA A 455 -15.379 -13.586 -7.481 1.00 12.00 C ATOM 288 C ALA A 455 -16.433 -12.511 -7.382 1.00 53.33 C ATOM 289 O ALA A 455 -17.339 -12.419 -8.225 1.00 31.21 O ATOM 290 CB ALA A 455 -15.777 -14.706 -8.447 1.00 13.24 C ATOM 0 H ALA A 455 -14.129 -13.715 -5.836 1.00 41.24 H new ATOM 0 HA ALA A 455 -14.491 -13.115 -7.903 1.00 12.00 H new ATOM 0 HB1 ALA A 455 -16.046 -14.276 -9.412 1.00 13.24 H new ATOM 0 HB2 ALA A 455 -14.939 -15.391 -8.576 1.00 13.24 H new ATOM 0 HB3 ALA A 455 -16.630 -15.250 -8.042 1.00 13.24 H new ATOM 296 N ALA A 456 -16.324 -11.703 -6.330 1.00 53.21 N ATOM 297 CA ALA A 456 -17.140 -10.503 -6.214 1.00 50.01 C ATOM 298 C ALA A 456 -16.879 -9.637 -7.443 1.00 21.43 C ATOM 299 O ALA A 456 -15.723 -9.408 -7.810 1.00 44.11 O ATOM 300 CB ALA A 456 -16.792 -9.734 -4.950 1.00 62.02 C ATOM 0 H ALA A 456 -15.683 -11.858 -5.552 1.00 53.21 H new ATOM 0 HA ALA A 456 -18.194 -10.776 -6.155 1.00 50.01 H new ATOM 0 HB1 ALA A 456 -17.414 -8.841 -4.884 1.00 62.02 H new ATOM 0 HB2 ALA A 456 -16.970 -10.365 -4.079 1.00 62.02 H new ATOM 0 HB3 ALA A 456 -15.742 -9.443 -4.979 1.00 62.02 H new ATOM 306 N THR A 457 -17.924 -9.187 -8.078 1.00 22.31 N ATOM 307 CA THR A 457 -17.808 -8.483 -9.307 1.00 11.53 C ATOM 308 C THR A 457 -17.297 -7.054 -9.061 1.00 32.13 C ATOM 309 O THR A 457 -17.324 -6.555 -7.923 1.00 14.45 O ATOM 310 CB THR A 457 -19.183 -8.459 -9.990 1.00 13.01 C ATOM 311 OG1 THR A 457 -20.040 -9.417 -9.320 1.00 41.55 O ATOM 312 CG2 THR A 457 -19.056 -8.869 -11.450 1.00 34.42 C ATOM 0 H THR A 457 -18.882 -9.303 -7.749 1.00 22.31 H new ATOM 0 HA THR A 457 -17.089 -8.985 -9.954 1.00 11.53 H new ATOM 0 HB THR A 457 -19.596 -7.452 -9.934 1.00 13.01 H new ATOM 0 HG1 THR A 457 -20.652 -8.944 -8.719 1.00 41.55 H new ATOM 0 HG21 THR A 457 -20.039 -8.847 -11.921 1.00 34.42 H new ATOM 0 HG22 THR A 457 -18.391 -8.176 -11.966 1.00 34.42 H new ATOM 0 HG23 THR A 457 -18.647 -9.878 -11.510 1.00 34.42 H new ATOM 320 N ILE A 458 -16.848 -6.396 -10.109 1.00 21.32 N ATOM 321 CA ILE A 458 -16.320 -5.035 -10.004 1.00 51.03 C ATOM 322 C ILE A 458 -17.426 -4.087 -9.515 1.00 72.24 C ATOM 323 O ILE A 458 -17.202 -3.197 -8.714 1.00 23.21 O ATOM 324 CB ILE A 458 -15.762 -4.545 -11.376 1.00 72.40 C ATOM 325 CG1 ILE A 458 -14.711 -5.536 -11.906 1.00 22.50 C ATOM 326 CG2 ILE A 458 -15.157 -3.144 -11.249 1.00 21.41 C ATOM 327 CD1 ILE A 458 -14.169 -5.192 -13.283 1.00 73.40 C ATOM 0 H ILE A 458 -16.835 -6.778 -11.055 1.00 21.32 H new ATOM 0 HA ILE A 458 -15.500 -5.036 -9.286 1.00 51.03 H new ATOM 0 HB ILE A 458 -16.589 -4.495 -12.085 1.00 72.40 H new ATOM 0 HG12 ILE A 458 -13.881 -5.579 -11.201 1.00 22.50 H new ATOM 0 HG13 ILE A 458 -15.152 -6.532 -11.940 1.00 22.50 H new ATOM 0 HG21 ILE A 458 -14.775 -2.824 -12.218 1.00 21.41 H new ATOM 0 HG22 ILE A 458 -15.923 -2.446 -10.913 1.00 21.41 H new ATOM 0 HG23 ILE A 458 -14.342 -3.164 -10.526 1.00 21.41 H new ATOM 0 HD11 ILE A 458 -13.434 -5.940 -13.582 1.00 73.40 H new ATOM 0 HD12 ILE A 458 -14.987 -5.179 -14.003 1.00 73.40 H new ATOM 0 HD13 ILE A 458 -13.696 -4.210 -13.253 1.00 73.40 H new ATOM 339 N GLU A 459 -18.625 -4.350 -9.942 1.00 51.02 N ATOM 340 CA GLU A 459 -19.769 -3.545 -9.560 1.00 61.14 C ATOM 341 C GLU A 459 -20.092 -3.742 -8.079 1.00 34.11 C ATOM 342 O GLU A 459 -20.543 -2.820 -7.396 1.00 3.23 O ATOM 343 CB GLU A 459 -20.930 -3.914 -10.444 1.00 34.34 C ATOM 344 CG GLU A 459 -20.631 -3.636 -11.899 1.00 31.30 C ATOM 345 CD GLU A 459 -21.561 -4.332 -12.826 1.00 13.12 C ATOM 346 OE1 GLU A 459 -21.331 -5.518 -13.118 1.00 53.22 O ATOM 347 OE2 GLU A 459 -22.509 -3.705 -13.315 1.00 4.12 O ATOM 0 H GLU A 459 -18.848 -5.126 -10.565 1.00 51.02 H new ATOM 0 HA GLU A 459 -19.548 -2.486 -9.695 1.00 61.14 H new ATOM 0 HB2 GLU A 459 -21.165 -4.971 -10.316 1.00 34.34 H new ATOM 0 HB3 GLU A 459 -21.813 -3.352 -10.139 1.00 34.34 H new ATOM 0 HG2 GLU A 459 -20.686 -2.562 -12.077 1.00 31.30 H new ATOM 0 HG3 GLU A 459 -19.609 -3.944 -12.119 1.00 31.30 H new ATOM 354 N ASP A 460 -19.785 -4.935 -7.582 1.00 50.13 N ATOM 355 CA ASP A 460 -19.976 -5.296 -6.191 1.00 11.01 C ATOM 356 C ASP A 460 -18.975 -4.588 -5.316 1.00 62.21 C ATOM 357 O ASP A 460 -19.308 -4.138 -4.217 1.00 74.04 O ATOM 358 CB ASP A 460 -19.828 -6.811 -5.996 1.00 61.11 C ATOM 359 CG ASP A 460 -21.026 -7.614 -6.403 1.00 72.15 C ATOM 360 OD1 ASP A 460 -21.779 -8.074 -5.510 1.00 22.41 O ATOM 361 OD2 ASP A 460 -21.221 -7.829 -7.611 1.00 52.02 O ATOM 0 H ASP A 460 -19.390 -5.687 -8.147 1.00 50.13 H new ATOM 0 HA ASP A 460 -20.984 -4.993 -5.907 1.00 11.01 H new ATOM 0 HB2 ASP A 460 -18.966 -7.155 -6.567 1.00 61.11 H new ATOM 0 HB3 ASP A 460 -19.614 -7.009 -4.946 1.00 61.11 H new ATOM 366 N ILE A 461 -17.750 -4.477 -5.801 1.00 24.23 N ATOM 367 CA ILE A 461 -16.707 -3.839 -5.034 1.00 52.52 C ATOM 368 C ILE A 461 -16.896 -2.308 -5.036 1.00 54.40 C ATOM 369 O ILE A 461 -16.638 -1.645 -4.041 1.00 41.21 O ATOM 370 CB ILE A 461 -15.264 -4.271 -5.492 1.00 55.14 C ATOM 371 CG1 ILE A 461 -14.230 -3.918 -4.420 1.00 31.51 C ATOM 372 CG2 ILE A 461 -14.869 -3.638 -6.820 1.00 24.03 C ATOM 373 CD1 ILE A 461 -12.831 -4.399 -4.742 1.00 51.14 C ATOM 0 H ILE A 461 -17.460 -4.820 -6.717 1.00 24.23 H new ATOM 0 HA ILE A 461 -16.796 -4.184 -4.004 1.00 52.52 H new ATOM 0 HB ILE A 461 -15.285 -5.352 -5.632 1.00 55.14 H new ATOM 0 HG12 ILE A 461 -14.211 -2.836 -4.288 1.00 31.51 H new ATOM 0 HG13 ILE A 461 -14.543 -4.350 -3.469 1.00 31.51 H new ATOM 0 HG21 ILE A 461 -13.866 -3.965 -7.095 1.00 24.03 H new ATOM 0 HG22 ILE A 461 -15.575 -3.943 -7.593 1.00 24.03 H new ATOM 0 HG23 ILE A 461 -14.883 -2.552 -6.724 1.00 24.03 H new ATOM 0 HD11 ILE A 461 -12.154 -4.112 -3.938 1.00 51.14 H new ATOM 0 HD12 ILE A 461 -12.834 -5.484 -4.845 1.00 51.14 H new ATOM 0 HD13 ILE A 461 -12.497 -3.947 -5.676 1.00 51.14 H new ATOM 385 N LEU A 462 -17.414 -1.770 -6.146 1.00 35.34 N ATOM 386 CA LEU A 462 -17.725 -0.339 -6.236 1.00 44.15 C ATOM 387 C LEU A 462 -18.884 0.000 -5.319 1.00 55.13 C ATOM 388 O LEU A 462 -18.909 1.055 -4.685 1.00 1.13 O ATOM 389 CB LEU A 462 -18.020 0.100 -7.692 1.00 10.24 C ATOM 390 CG LEU A 462 -16.827 0.586 -8.562 1.00 21.42 C ATOM 391 CD1 LEU A 462 -16.290 1.907 -8.049 1.00 51.24 C ATOM 392 CD2 LEU A 462 -15.705 -0.432 -8.617 1.00 74.40 C ATOM 0 H LEU A 462 -17.626 -2.301 -6.991 1.00 35.34 H new ATOM 0 HA LEU A 462 -16.845 0.216 -5.912 1.00 44.15 H new ATOM 0 HB2 LEU A 462 -18.488 -0.740 -8.206 1.00 10.24 H new ATOM 0 HB3 LEU A 462 -18.757 0.903 -7.656 1.00 10.24 H new ATOM 0 HG LEU A 462 -17.211 0.718 -9.574 1.00 21.42 H new ATOM 0 HD11 LEU A 462 -15.456 2.228 -8.673 1.00 51.24 H new ATOM 0 HD12 LEU A 462 -17.079 2.658 -8.084 1.00 51.24 H new ATOM 0 HD13 LEU A 462 -15.949 1.786 -7.021 1.00 51.24 H new ATOM 0 HD21 LEU A 462 -14.895 -0.047 -9.236 1.00 74.40 H new ATOM 0 HD22 LEU A 462 -15.334 -0.619 -7.609 1.00 74.40 H new ATOM 0 HD23 LEU A 462 -16.078 -1.362 -9.045 1.00 74.40 H new ATOM 404 N ASP A 463 -19.817 -0.931 -5.230 1.00 4.32 N ATOM 405 CA ASP A 463 -20.968 -0.829 -4.337 1.00 73.43 C ATOM 406 C ASP A 463 -20.475 -0.748 -2.911 1.00 44.45 C ATOM 407 O ASP A 463 -20.815 0.172 -2.168 1.00 52.13 O ATOM 408 CB ASP A 463 -21.828 -2.079 -4.487 1.00 2.55 C ATOM 409 CG ASP A 463 -23.076 -2.066 -3.637 1.00 3.44 C ATOM 410 OD1 ASP A 463 -23.050 -2.610 -2.517 1.00 70.11 O ATOM 411 OD2 ASP A 463 -24.114 -1.544 -4.089 1.00 40.43 O ATOM 0 H ASP A 463 -19.801 -1.790 -5.780 1.00 4.32 H new ATOM 0 HA ASP A 463 -21.552 0.058 -4.585 1.00 73.43 H new ATOM 0 HB2 ASP A 463 -22.113 -2.189 -5.533 1.00 2.55 H new ATOM 0 HB3 ASP A 463 -21.231 -2.953 -4.226 1.00 2.55 H new ATOM 416 N PHE A 464 -19.613 -1.699 -2.588 1.00 62.43 N ATOM 417 CA PHE A 464 -18.977 -1.839 -1.272 1.00 1.02 C ATOM 418 C PHE A 464 -18.239 -0.564 -0.861 1.00 30.15 C ATOM 419 O PHE A 464 -18.246 -0.180 0.313 1.00 21.43 O ATOM 420 CB PHE A 464 -18.006 -3.042 -1.289 1.00 14.14 C ATOM 421 CG PHE A 464 -17.135 -3.183 -0.062 1.00 30.33 C ATOM 422 CD1 PHE A 464 -17.626 -3.758 1.098 1.00 1.23 C ATOM 423 CD2 PHE A 464 -15.816 -2.739 -0.084 1.00 23.43 C ATOM 424 CE1 PHE A 464 -16.822 -3.889 2.215 1.00 23.31 C ATOM 425 CE2 PHE A 464 -15.010 -2.866 1.031 1.00 41.32 C ATOM 426 CZ PHE A 464 -15.513 -3.444 2.183 1.00 13.15 C ATOM 0 H PHE A 464 -19.323 -2.420 -3.249 1.00 62.43 H new ATOM 0 HA PHE A 464 -19.760 -2.013 -0.534 1.00 1.02 H new ATOM 0 HB2 PHE A 464 -18.587 -3.956 -1.409 1.00 14.14 H new ATOM 0 HB3 PHE A 464 -17.362 -2.956 -2.164 1.00 14.14 H new ATOM 0 HD1 PHE A 464 -18.647 -4.108 1.130 1.00 1.23 H new ATOM 0 HD2 PHE A 464 -15.418 -2.290 -0.982 1.00 23.43 H new ATOM 0 HE1 PHE A 464 -17.217 -4.339 3.114 1.00 23.31 H new ATOM 0 HE2 PHE A 464 -13.989 -2.515 1.003 1.00 41.32 H new ATOM 0 HZ PHE A 464 -14.885 -3.547 3.055 1.00 13.15 H new ATOM 436 N LEU A 465 -17.594 0.068 -1.821 1.00 35.43 N ATOM 437 CA LEU A 465 -16.869 1.299 -1.581 1.00 41.52 C ATOM 438 C LEU A 465 -17.793 2.428 -1.165 1.00 62.14 C ATOM 439 O LEU A 465 -17.424 3.262 -0.331 1.00 21.20 O ATOM 440 CB LEU A 465 -16.060 1.692 -2.802 1.00 44.44 C ATOM 441 CG LEU A 465 -14.861 0.800 -3.127 1.00 53.32 C ATOM 442 CD1 LEU A 465 -14.232 1.225 -4.437 1.00 3.02 C ATOM 443 CD2 LEU A 465 -13.826 0.864 -2.007 1.00 24.04 C ATOM 0 H LEU A 465 -17.558 -0.257 -2.787 1.00 35.43 H new ATOM 0 HA LEU A 465 -16.184 1.116 -0.753 1.00 41.52 H new ATOM 0 HB2 LEU A 465 -16.725 1.702 -3.666 1.00 44.44 H new ATOM 0 HB3 LEU A 465 -15.702 2.712 -2.663 1.00 44.44 H new ATOM 0 HG LEU A 465 -15.212 -0.228 -3.219 1.00 53.32 H new ATOM 0 HD11 LEU A 465 -13.380 0.582 -4.657 1.00 3.02 H new ATOM 0 HD12 LEU A 465 -14.967 1.140 -5.238 1.00 3.02 H new ATOM 0 HD13 LEU A 465 -13.896 2.259 -4.361 1.00 3.02 H new ATOM 0 HD21 LEU A 465 -12.980 0.223 -2.256 1.00 24.04 H new ATOM 0 HD22 LEU A 465 -13.481 1.891 -1.889 1.00 24.04 H new ATOM 0 HD23 LEU A 465 -14.277 0.524 -1.075 1.00 24.04 H new ATOM 455 N GLY A 466 -18.986 2.455 -1.716 1.00 14.42 N ATOM 456 CA GLY A 466 -19.918 3.481 -1.347 1.00 23.45 C ATOM 457 C GLY A 466 -19.505 4.823 -1.816 1.00 32.10 C ATOM 458 O GLY A 466 -19.110 5.003 -2.959 1.00 51.41 O ATOM 0 H GLY A 466 -19.324 1.788 -2.409 1.00 14.42 H new ATOM 0 HA2 GLY A 466 -20.898 3.242 -1.760 1.00 23.45 H new ATOM 0 HA3 GLY A 466 -20.025 3.496 -0.262 1.00 23.45 H new ATOM 462 N GLU A 467 -19.581 5.743 -0.915 1.00 33.00 N ATOM 463 CA GLU A 467 -19.162 7.138 -1.129 1.00 14.20 C ATOM 464 C GLU A 467 -17.727 7.238 -1.663 1.00 11.21 C ATOM 465 O GLU A 467 -17.409 8.121 -2.458 1.00 73.13 O ATOM 466 CB GLU A 467 -19.252 7.934 0.165 1.00 23.45 C ATOM 467 CG GLU A 467 -20.650 8.126 0.704 1.00 62.33 C ATOM 468 CD GLU A 467 -20.640 8.905 1.993 1.00 24.22 C ATOM 469 OE1 GLU A 467 -20.695 8.283 3.072 1.00 13.34 O ATOM 470 OE2 GLU A 467 -20.540 10.156 1.951 1.00 62.11 O ATOM 0 H GLU A 467 -19.941 5.569 0.023 1.00 33.00 H new ATOM 0 HA GLU A 467 -19.842 7.551 -1.874 1.00 14.20 H new ATOM 0 HB2 GLU A 467 -18.652 7.432 0.924 1.00 23.45 H new ATOM 0 HB3 GLU A 467 -18.804 8.914 0.002 1.00 23.45 H new ATOM 0 HG2 GLU A 467 -21.258 8.649 -0.034 1.00 62.33 H new ATOM 0 HG3 GLU A 467 -21.115 7.154 0.868 1.00 62.33 H new ATOM 477 N PHE A 468 -16.879 6.302 -1.260 1.00 53.04 N ATOM 478 CA PHE A 468 -15.479 6.310 -1.648 1.00 33.11 C ATOM 479 C PHE A 468 -15.298 6.005 -3.137 1.00 64.40 C ATOM 480 O PHE A 468 -14.249 6.280 -3.719 1.00 4.21 O ATOM 481 CB PHE A 468 -14.668 5.347 -0.777 1.00 72.14 C ATOM 482 CG PHE A 468 -14.766 5.671 0.687 1.00 2.31 C ATOM 483 CD1 PHE A 468 -15.433 4.826 1.557 1.00 64.33 C ATOM 484 CD2 PHE A 468 -14.215 6.838 1.186 1.00 24.33 C ATOM 485 CE1 PHE A 468 -15.546 5.135 2.894 1.00 11.02 C ATOM 486 CE2 PHE A 468 -14.323 7.149 2.523 1.00 13.14 C ATOM 487 CZ PHE A 468 -14.990 6.298 3.379 1.00 0.23 C ATOM 0 H PHE A 468 -17.142 5.521 -0.659 1.00 53.04 H new ATOM 0 HA PHE A 468 -15.098 7.318 -1.483 1.00 33.11 H new ATOM 0 HB2 PHE A 468 -15.019 4.329 -0.944 1.00 72.14 H new ATOM 0 HB3 PHE A 468 -13.622 5.379 -1.083 1.00 72.14 H new ATOM 0 HD1 PHE A 468 -15.870 3.912 1.182 1.00 64.33 H new ATOM 0 HD2 PHE A 468 -13.695 7.511 0.521 1.00 24.33 H new ATOM 0 HE1 PHE A 468 -16.070 4.467 3.561 1.00 11.02 H new ATOM 0 HE2 PHE A 468 -13.885 8.061 2.902 1.00 13.14 H new ATOM 0 HZ PHE A 468 -15.076 6.543 4.427 1.00 0.23 H new ATOM 497 N ALA A 469 -16.350 5.501 -3.766 1.00 14.04 N ATOM 498 CA ALA A 469 -16.329 5.202 -5.181 1.00 64.02 C ATOM 499 C ALA A 469 -16.292 6.490 -6.002 1.00 3.23 C ATOM 500 O ALA A 469 -15.989 6.474 -7.179 1.00 65.42 O ATOM 501 CB ALA A 469 -17.528 4.354 -5.570 1.00 0.34 C ATOM 0 H ALA A 469 -17.236 5.290 -3.307 1.00 14.04 H new ATOM 0 HA ALA A 469 -15.425 4.632 -5.395 1.00 64.02 H new ATOM 0 HB1 ALA A 469 -17.492 4.141 -6.638 1.00 0.34 H new ATOM 0 HB2 ALA A 469 -17.508 3.418 -5.013 1.00 0.34 H new ATOM 0 HB3 ALA A 469 -18.446 4.894 -5.339 1.00 0.34 H new ATOM 507 N THR A 470 -16.597 7.600 -5.373 1.00 74.22 N ATOM 508 CA THR A 470 -16.592 8.870 -6.038 1.00 24.30 C ATOM 509 C THR A 470 -15.152 9.411 -6.233 1.00 55.43 C ATOM 510 O THR A 470 -14.888 10.186 -7.163 1.00 55.14 O ATOM 511 CB THR A 470 -17.467 9.869 -5.253 1.00 33.23 C ATOM 512 OG1 THR A 470 -18.737 9.238 -4.993 1.00 52.12 O ATOM 513 CG2 THR A 470 -17.712 11.149 -6.048 1.00 13.05 C ATOM 0 H THR A 470 -16.855 7.643 -4.387 1.00 74.22 H new ATOM 0 HA THR A 470 -17.013 8.740 -7.035 1.00 24.30 H new ATOM 0 HB THR A 470 -16.952 10.137 -4.331 1.00 33.23 H new ATOM 0 HG1 THR A 470 -18.684 8.727 -4.158 1.00 52.12 H new ATOM 0 HG21 THR A 470 -18.332 11.828 -5.463 1.00 13.05 H new ATOM 0 HG22 THR A 470 -16.758 11.628 -6.269 1.00 13.05 H new ATOM 0 HG23 THR A 470 -18.221 10.906 -6.981 1.00 13.05 H new ATOM 521 N ASP A 471 -14.218 8.969 -5.401 1.00 44.53 N ATOM 522 CA ASP A 471 -12.852 9.459 -5.490 1.00 51.23 C ATOM 523 C ASP A 471 -11.916 8.416 -6.093 1.00 42.11 C ATOM 524 O ASP A 471 -10.756 8.698 -6.358 1.00 23.21 O ATOM 525 CB ASP A 471 -12.340 9.950 -4.113 1.00 62.31 C ATOM 526 CG ASP A 471 -10.923 10.543 -4.148 1.00 72.45 C ATOM 527 OD1 ASP A 471 -9.956 9.862 -3.741 1.00 1.14 O ATOM 528 OD2 ASP A 471 -10.762 11.704 -4.592 1.00 32.30 O ATOM 0 H ASP A 471 -14.379 8.281 -4.666 1.00 44.53 H new ATOM 0 HA ASP A 471 -12.858 10.315 -6.165 1.00 51.23 H new ATOM 0 HB2 ASP A 471 -13.028 10.703 -3.728 1.00 62.31 H new ATOM 0 HB3 ASP A 471 -12.356 9.115 -3.412 1.00 62.31 H new ATOM 533 N ILE A 472 -12.446 7.236 -6.377 1.00 54.33 N ATOM 534 CA ILE A 472 -11.650 6.129 -6.896 1.00 30.44 C ATOM 535 C ILE A 472 -10.986 6.513 -8.235 1.00 52.13 C ATOM 536 O ILE A 472 -11.539 7.312 -9.020 1.00 53.22 O ATOM 537 CB ILE A 472 -12.516 4.829 -7.082 1.00 24.25 C ATOM 538 CG1 ILE A 472 -11.617 3.629 -7.387 1.00 32.32 C ATOM 539 CG2 ILE A 472 -13.534 5.007 -8.209 1.00 14.04 C ATOM 540 CD1 ILE A 472 -12.356 2.319 -7.606 1.00 51.33 C ATOM 0 H ILE A 472 -13.435 7.017 -6.256 1.00 54.33 H new ATOM 0 HA ILE A 472 -10.873 5.918 -6.161 1.00 30.44 H new ATOM 0 HB ILE A 472 -13.053 4.649 -6.151 1.00 24.25 H new ATOM 0 HG12 ILE A 472 -11.028 3.851 -8.277 1.00 32.32 H new ATOM 0 HG13 ILE A 472 -10.914 3.500 -6.564 1.00 32.32 H new ATOM 0 HG21 ILE A 472 -14.120 4.094 -8.317 1.00 14.04 H new ATOM 0 HG22 ILE A 472 -14.198 5.838 -7.972 1.00 14.04 H new ATOM 0 HG23 ILE A 472 -13.011 5.215 -9.142 1.00 14.04 H new ATOM 0 HD11 ILE A 472 -11.638 1.527 -7.816 1.00 51.33 H new ATOM 0 HD12 ILE A 472 -12.923 2.067 -6.710 1.00 51.33 H new ATOM 0 HD13 ILE A 472 -13.038 2.423 -8.450 1.00 51.33 H new ATOM 552 N ARG A 473 -9.805 6.000 -8.466 1.00 63.11 N ATOM 553 CA ARG A 473 -9.125 6.213 -9.709 1.00 34.23 C ATOM 554 C ARG A 473 -9.839 5.344 -10.723 1.00 65.03 C ATOM 555 O ARG A 473 -10.191 4.191 -10.423 1.00 73.25 O ATOM 556 CB ARG A 473 -7.680 5.773 -9.580 1.00 72.52 C ATOM 557 CG ARG A 473 -6.729 6.262 -10.641 1.00 52.10 C ATOM 558 CD ARG A 473 -6.490 7.755 -10.539 1.00 71.33 C ATOM 559 NE ARG A 473 -5.850 8.160 -9.268 1.00 73.10 N ATOM 560 CZ ARG A 473 -5.272 9.350 -9.068 1.00 35.30 C ATOM 561 NH1 ARG A 473 -5.303 10.273 -10.029 1.00 23.44 N ATOM 562 NH2 ARG A 473 -4.677 9.621 -7.910 1.00 5.50 N ATOM 0 H ARG A 473 -9.292 5.425 -7.797 1.00 63.11 H new ATOM 0 HA ARG A 473 -9.132 7.263 -10.002 1.00 34.23 H new ATOM 0 HB2 ARG A 473 -7.308 6.104 -8.610 1.00 72.52 H new ATOM 0 HB3 ARG A 473 -7.655 4.683 -9.576 1.00 72.52 H new ATOM 0 HG2 ARG A 473 -5.779 5.735 -10.549 1.00 52.10 H new ATOM 0 HG3 ARG A 473 -7.131 6.025 -11.626 1.00 52.10 H new ATOM 0 HD2 ARG A 473 -5.862 8.073 -11.371 1.00 71.33 H new ATOM 0 HD3 ARG A 473 -7.442 8.276 -10.641 1.00 71.33 H new ATOM 0 HE ARG A 473 -5.849 7.492 -8.498 1.00 73.10 H new ATOM 0 HH11 ARG A 473 -5.767 10.072 -10.915 1.00 23.44 H new ATOM 0 HH12 ARG A 473 -4.863 11.181 -9.879 1.00 23.44 H new ATOM 0 HH21 ARG A 473 -4.660 8.920 -7.169 1.00 5.50 H new ATOM 0 HH22 ARG A 473 -4.238 10.530 -7.763 1.00 5.50 H new ATOM 576 N THR A 474 -10.024 5.858 -11.878 1.00 55.02 N ATOM 577 CA THR A 474 -10.809 5.175 -12.887 1.00 72.33 C ATOM 578 C THR A 474 -10.026 3.972 -13.422 1.00 63.24 C ATOM 579 O THR A 474 -8.924 4.131 -13.962 1.00 0.50 O ATOM 580 CB THR A 474 -11.196 6.141 -14.017 1.00 35.23 C ATOM 581 OG1 THR A 474 -11.764 7.331 -13.423 1.00 72.31 O ATOM 582 CG2 THR A 474 -12.244 5.507 -14.916 1.00 32.42 C ATOM 0 H THR A 474 -9.647 6.759 -12.171 1.00 55.02 H new ATOM 0 HA THR A 474 -11.734 4.812 -12.438 1.00 72.33 H new ATOM 0 HB THR A 474 -10.311 6.379 -14.608 1.00 35.23 H new ATOM 0 HG1 THR A 474 -12.016 7.961 -14.130 1.00 72.31 H new ATOM 0 HG21 THR A 474 -12.509 6.202 -15.712 1.00 32.42 H new ATOM 0 HG22 THR A 474 -11.844 4.592 -15.352 1.00 32.42 H new ATOM 0 HG23 THR A 474 -13.132 5.271 -14.330 1.00 32.42 H new ATOM 590 N HIS A 475 -10.577 2.771 -13.189 1.00 62.13 N ATOM 591 CA HIS A 475 -9.930 1.497 -13.525 1.00 4.11 C ATOM 592 C HIS A 475 -8.694 1.257 -12.674 1.00 72.03 C ATOM 593 O HIS A 475 -7.834 0.435 -13.008 1.00 5.43 O ATOM 594 CB HIS A 475 -9.645 1.331 -15.037 1.00 35.32 C ATOM 595 CG HIS A 475 -10.818 0.792 -15.820 1.00 71.55 C ATOM 596 ND1 HIS A 475 -10.697 0.119 -17.017 1.00 15.11 N ATOM 597 CD2 HIS A 475 -12.146 0.802 -15.535 1.00 0.21 C ATOM 598 CE1 HIS A 475 -11.910 -0.256 -17.414 1.00 21.55 C ATOM 599 NE2 HIS A 475 -12.838 0.133 -16.547 1.00 61.02 N ATOM 0 H HIS A 475 -11.494 2.658 -12.757 1.00 62.13 H new ATOM 0 HA HIS A 475 -10.651 0.717 -13.281 1.00 4.11 H new ATOM 0 HB2 HIS A 475 -9.356 2.297 -15.451 1.00 35.32 H new ATOM 0 HB3 HIS A 475 -8.795 0.661 -15.166 1.00 35.32 H new ATOM 0 HD2 HIS A 475 -12.596 1.255 -14.664 1.00 0.21 H new ATOM 0 HE1 HIS A 475 -12.113 -0.805 -18.322 1.00 21.55 H new ATOM 0 HE2 HIS A 475 -13.844 -0.024 -16.608 1.00 61.02 H new ATOM 607 N GLY A 476 -8.655 1.932 -11.524 1.00 4.03 N ATOM 608 CA GLY A 476 -7.581 1.763 -10.581 1.00 61.30 C ATOM 609 C GLY A 476 -7.807 0.553 -9.701 1.00 10.44 C ATOM 610 O GLY A 476 -6.955 0.184 -8.893 1.00 24.12 O ATOM 0 H GLY A 476 -9.367 2.603 -11.234 1.00 4.03 H new ATOM 0 HA2 GLY A 476 -6.638 1.655 -11.116 1.00 61.30 H new ATOM 0 HA3 GLY A 476 -7.495 2.655 -9.961 1.00 61.30 H new ATOM 614 N VAL A 477 -8.969 -0.047 -9.853 1.00 15.11 N ATOM 615 CA VAL A 477 -9.334 -1.241 -9.136 1.00 12.33 C ATOM 616 C VAL A 477 -8.788 -2.481 -9.869 1.00 60.21 C ATOM 617 O VAL A 477 -9.089 -2.713 -11.045 1.00 3.41 O ATOM 618 CB VAL A 477 -10.888 -1.331 -8.919 1.00 15.13 C ATOM 619 CG1 VAL A 477 -11.662 -1.192 -10.232 1.00 45.42 C ATOM 620 CG2 VAL A 477 -11.282 -2.620 -8.203 1.00 33.11 C ATOM 0 H VAL A 477 -9.693 0.289 -10.488 1.00 15.11 H new ATOM 0 HA VAL A 477 -8.882 -1.202 -8.145 1.00 12.33 H new ATOM 0 HB VAL A 477 -11.160 -0.489 -8.282 1.00 15.13 H new ATOM 0 HG11 VAL A 477 -12.731 -1.260 -10.033 1.00 45.42 H new ATOM 0 HG12 VAL A 477 -11.438 -0.226 -10.686 1.00 45.42 H new ATOM 0 HG13 VAL A 477 -11.368 -1.990 -10.914 1.00 45.42 H new ATOM 0 HG21 VAL A 477 -12.364 -2.647 -8.071 1.00 33.11 H new ATOM 0 HG22 VAL A 477 -10.968 -3.477 -8.798 1.00 33.11 H new ATOM 0 HG23 VAL A 477 -10.796 -2.658 -7.228 1.00 33.11 H new ATOM 630 N HIS A 478 -7.957 -3.226 -9.190 1.00 31.21 N ATOM 631 CA HIS A 478 -7.319 -4.408 -9.747 1.00 54.20 C ATOM 632 C HIS A 478 -7.402 -5.532 -8.743 1.00 72.44 C ATOM 633 O HIS A 478 -6.917 -5.399 -7.639 1.00 71.10 O ATOM 634 CB HIS A 478 -5.830 -4.132 -10.038 1.00 54.31 C ATOM 635 CG HIS A 478 -5.563 -3.053 -11.044 1.00 14.41 C ATOM 636 ND1 HIS A 478 -5.457 -1.714 -10.730 1.00 32.34 N ATOM 637 CD2 HIS A 478 -5.352 -3.141 -12.375 1.00 4.04 C ATOM 638 CE1 HIS A 478 -5.190 -1.048 -11.847 1.00 31.24 C ATOM 639 NE2 HIS A 478 -5.112 -1.868 -12.882 1.00 24.25 N ATOM 0 H HIS A 478 -7.695 -3.034 -8.223 1.00 31.21 H new ATOM 0 HA HIS A 478 -7.828 -4.674 -10.674 1.00 54.20 H new ATOM 0 HB2 HIS A 478 -5.338 -3.864 -9.103 1.00 54.31 H new ATOM 0 HB3 HIS A 478 -5.368 -5.055 -10.388 1.00 54.31 H new ATOM 0 HD1 HIS A 478 -5.565 -1.306 -9.801 1.00 32.34 H new ATOM 0 HD2 HIS A 478 -5.367 -4.053 -12.953 1.00 4.04 H new ATOM 0 HE1 HIS A 478 -5.054 0.022 -11.903 1.00 31.24 H new ATOM 647 N MET A 479 -8.018 -6.610 -9.108 1.00 73.42 N ATOM 648 CA MET A 479 -8.114 -7.763 -8.227 1.00 73.00 C ATOM 649 C MET A 479 -7.034 -8.739 -8.609 1.00 31.25 C ATOM 650 O MET A 479 -6.656 -8.821 -9.788 1.00 21.51 O ATOM 651 CB MET A 479 -9.483 -8.442 -8.346 1.00 15.31 C ATOM 652 CG MET A 479 -10.663 -7.561 -7.983 1.00 43.33 C ATOM 653 SD MET A 479 -12.240 -8.408 -8.200 1.00 62.34 S ATOM 654 CE MET A 479 -13.382 -7.119 -7.713 1.00 55.31 C ATOM 0 H MET A 479 -8.470 -6.731 -10.014 1.00 73.42 H new ATOM 0 HA MET A 479 -7.993 -7.434 -7.195 1.00 73.00 H new ATOM 0 HB2 MET A 479 -9.611 -8.793 -9.370 1.00 15.31 H new ATOM 0 HB3 MET A 479 -9.493 -9.322 -7.703 1.00 15.31 H new ATOM 0 HG2 MET A 479 -10.567 -7.237 -6.947 1.00 43.33 H new ATOM 0 HG3 MET A 479 -10.647 -6.663 -8.601 1.00 43.33 H new ATOM 0 HE1 MET A 479 -14.343 -7.281 -8.201 1.00 55.31 H new ATOM 0 HE2 MET A 479 -13.516 -7.141 -6.632 1.00 55.31 H new ATOM 0 HE3 MET A 479 -12.983 -6.149 -8.009 1.00 55.31 H new ATOM 664 N VAL A 480 -6.525 -9.457 -7.653 1.00 14.15 N ATOM 665 CA VAL A 480 -5.479 -10.395 -7.922 1.00 22.25 C ATOM 666 C VAL A 480 -6.051 -11.788 -8.147 1.00 20.24 C ATOM 667 O VAL A 480 -6.631 -12.403 -7.246 1.00 53.44 O ATOM 668 CB VAL A 480 -4.411 -10.415 -6.794 1.00 42.33 C ATOM 669 CG1 VAL A 480 -3.310 -11.423 -7.101 1.00 1.14 C ATOM 670 CG2 VAL A 480 -3.813 -9.023 -6.606 1.00 15.22 C ATOM 0 H VAL A 480 -6.819 -9.410 -6.677 1.00 14.15 H new ATOM 0 HA VAL A 480 -4.979 -10.071 -8.835 1.00 22.25 H new ATOM 0 HB VAL A 480 -4.902 -10.718 -5.869 1.00 42.33 H new ATOM 0 HG11 VAL A 480 -2.576 -11.416 -6.295 1.00 1.14 H new ATOM 0 HG12 VAL A 480 -3.743 -12.419 -7.189 1.00 1.14 H new ATOM 0 HG13 VAL A 480 -2.822 -11.155 -8.038 1.00 1.14 H new ATOM 0 HG21 VAL A 480 -3.066 -9.052 -5.813 1.00 15.22 H new ATOM 0 HG22 VAL A 480 -3.343 -8.700 -7.535 1.00 15.22 H new ATOM 0 HG23 VAL A 480 -4.602 -8.321 -6.336 1.00 15.22 H new ATOM 680 N LEU A 481 -5.989 -12.229 -9.372 1.00 44.20 N ATOM 681 CA LEU A 481 -6.340 -13.573 -9.699 1.00 32.35 C ATOM 682 C LEU A 481 -5.063 -14.363 -9.803 1.00 12.24 C ATOM 683 O LEU A 481 -4.038 -13.837 -10.248 1.00 15.25 O ATOM 684 CB LEU A 481 -7.133 -13.670 -11.010 1.00 0.20 C ATOM 685 CG LEU A 481 -8.329 -12.720 -11.156 1.00 64.34 C ATOM 686 CD1 LEU A 481 -7.914 -11.366 -11.730 1.00 34.14 C ATOM 687 CD2 LEU A 481 -9.453 -13.353 -11.956 1.00 34.32 C ATOM 0 H LEU A 481 -5.693 -11.664 -10.168 1.00 44.20 H new ATOM 0 HA LEU A 481 -6.989 -13.971 -8.919 1.00 32.35 H new ATOM 0 HB2 LEU A 481 -6.448 -13.487 -11.838 1.00 0.20 H new ATOM 0 HB3 LEU A 481 -7.494 -14.693 -11.116 1.00 0.20 H new ATOM 0 HG LEU A 481 -8.715 -12.534 -10.154 1.00 64.34 H new ATOM 0 HD11 LEU A 481 -8.790 -10.724 -11.817 1.00 34.14 H new ATOM 0 HD12 LEU A 481 -7.185 -10.898 -11.068 1.00 34.14 H new ATOM 0 HD13 LEU A 481 -7.470 -11.509 -12.715 1.00 34.14 H new ATOM 0 HD21 LEU A 481 -10.282 -12.650 -12.038 1.00 34.32 H new ATOM 0 HD22 LEU A 481 -9.092 -13.606 -12.953 1.00 34.32 H new ATOM 0 HD23 LEU A 481 -9.793 -14.258 -11.453 1.00 34.32 H new ATOM 699 N ASN A 482 -5.121 -15.601 -9.431 1.00 71.25 N ATOM 700 CA ASN A 482 -3.938 -16.437 -9.389 1.00 2.44 C ATOM 701 C ASN A 482 -3.815 -17.100 -10.763 1.00 41.13 C ATOM 702 O ASN A 482 -4.680 -16.876 -11.615 1.00 63.31 O ATOM 703 CB ASN A 482 -4.081 -17.464 -8.235 1.00 22.31 C ATOM 704 CG ASN A 482 -2.760 -18.093 -7.756 1.00 12.13 C ATOM 705 OD1 ASN A 482 -1.801 -18.254 -8.514 1.00 64.33 O ATOM 706 ND2 ASN A 482 -2.706 -18.449 -6.492 1.00 32.31 N ATOM 0 H ASN A 482 -5.980 -16.071 -9.146 1.00 71.25 H new ATOM 0 HA ASN A 482 -3.030 -15.869 -9.188 1.00 2.44 H new ATOM 0 HB2 ASN A 482 -4.560 -16.972 -7.388 1.00 22.31 H new ATOM 0 HB3 ASN A 482 -4.749 -18.262 -8.560 1.00 22.31 H new ATOM 0 HD21 ASN A 482 -1.856 -18.870 -6.117 1.00 32.31 H new ATOM 0 HD22 ASN A 482 -3.514 -18.305 -5.887 1.00 32.31 H new ATOM 713 N HIS A 483 -2.815 -17.919 -10.985 1.00 52.04 N ATOM 714 CA HIS A 483 -2.554 -18.487 -12.318 1.00 53.52 C ATOM 715 C HIS A 483 -3.626 -19.455 -12.811 1.00 3.13 C ATOM 716 O HIS A 483 -3.690 -19.759 -14.003 1.00 14.40 O ATOM 717 CB HIS A 483 -1.150 -19.089 -12.433 1.00 64.34 C ATOM 718 CG HIS A 483 -0.059 -18.058 -12.382 1.00 21.10 C ATOM 719 ND1 HIS A 483 0.427 -17.398 -13.491 1.00 50.00 N ATOM 720 CD2 HIS A 483 0.625 -17.559 -11.325 1.00 14.04 C ATOM 721 CE1 HIS A 483 1.364 -16.543 -13.086 1.00 64.24 C ATOM 722 NE2 HIS A 483 1.526 -16.600 -11.777 1.00 11.31 N ATOM 0 H HIS A 483 -2.156 -18.218 -10.266 1.00 52.04 H new ATOM 0 HA HIS A 483 -2.603 -17.633 -12.993 1.00 53.52 H new ATOM 0 HB2 HIS A 483 -1.002 -19.806 -11.625 1.00 64.34 H new ATOM 0 HB3 HIS A 483 -1.074 -19.643 -13.369 1.00 64.34 H new ATOM 0 HD2 HIS A 483 0.492 -17.858 -10.296 1.00 14.04 H new ATOM 0 HE1 HIS A 483 1.919 -15.889 -13.742 1.00 64.24 H new ATOM 0 HE2 HIS A 483 2.177 -16.054 -11.213 1.00 11.31 H new ATOM 730 N GLN A 484 -4.463 -19.935 -11.913 1.00 25.33 N ATOM 731 CA GLN A 484 -5.584 -20.776 -12.298 1.00 64.12 C ATOM 732 C GLN A 484 -6.750 -19.889 -12.784 1.00 70.43 C ATOM 733 O GLN A 484 -7.733 -20.372 -13.367 1.00 51.15 O ATOM 734 CB GLN A 484 -6.033 -21.652 -11.119 1.00 24.13 C ATOM 735 CG GLN A 484 -7.077 -22.701 -11.474 1.00 14.40 C ATOM 736 CD GLN A 484 -7.588 -23.462 -10.272 1.00 31.50 C ATOM 737 OE1 GLN A 484 -7.649 -22.935 -9.167 1.00 51.30 O ATOM 738 NE2 GLN A 484 -7.970 -24.697 -10.472 1.00 43.44 N ATOM 0 H GLN A 484 -4.390 -19.758 -10.911 1.00 25.33 H new ATOM 0 HA GLN A 484 -5.272 -21.434 -13.109 1.00 64.12 H new ATOM 0 HB2 GLN A 484 -5.160 -22.153 -10.702 1.00 24.13 H new ATOM 0 HB3 GLN A 484 -6.435 -21.008 -10.337 1.00 24.13 H new ATOM 0 HG2 GLN A 484 -7.916 -22.215 -11.972 1.00 14.40 H new ATOM 0 HG3 GLN A 484 -6.648 -23.405 -12.186 1.00 14.40 H new ATOM 0 HE21 GLN A 484 -7.906 -25.106 -11.404 1.00 43.44 H new ATOM 0 HE22 GLN A 484 -8.332 -25.251 -9.696 1.00 43.44 H new ATOM 747 N GLY A 485 -6.607 -18.592 -12.569 1.00 75.23 N ATOM 748 CA GLY A 485 -7.621 -17.642 -12.924 1.00 64.34 C ATOM 749 C GLY A 485 -8.673 -17.534 -11.860 1.00 51.40 C ATOM 750 O GLY A 485 -9.860 -17.306 -12.143 1.00 13.45 O ATOM 0 H GLY A 485 -5.779 -18.178 -12.142 1.00 75.23 H new ATOM 0 HA2 GLY A 485 -7.165 -16.665 -13.086 1.00 64.34 H new ATOM 0 HA3 GLY A 485 -8.084 -17.938 -13.866 1.00 64.34 H new ATOM 754 N ARG A 486 -8.256 -17.722 -10.634 1.00 4.44 N ATOM 755 CA ARG A 486 -9.151 -17.629 -9.502 1.00 74.12 C ATOM 756 C ARG A 486 -8.654 -16.530 -8.608 1.00 54.35 C ATOM 757 O ARG A 486 -7.456 -16.462 -8.364 1.00 71.04 O ATOM 758 CB ARG A 486 -9.202 -18.958 -8.721 1.00 12.01 C ATOM 759 CG ARG A 486 -9.641 -20.151 -9.555 1.00 71.24 C ATOM 760 CD ARG A 486 -11.010 -19.923 -10.166 1.00 53.31 C ATOM 761 NE ARG A 486 -11.393 -21.005 -11.068 1.00 55.11 N ATOM 762 CZ ARG A 486 -11.747 -20.834 -12.352 1.00 72.53 C ATOM 763 NH1 ARG A 486 -11.665 -19.627 -12.919 1.00 55.54 N ATOM 764 NH2 ARG A 486 -12.146 -21.866 -13.072 1.00 43.22 N ATOM 0 H ARG A 486 -7.291 -17.943 -10.390 1.00 4.44 H new ATOM 0 HA ARG A 486 -10.161 -17.415 -9.853 1.00 74.12 H new ATOM 0 HB2 ARG A 486 -8.215 -19.162 -8.306 1.00 12.01 H new ATOM 0 HB3 ARG A 486 -9.885 -18.846 -7.879 1.00 12.01 H new ATOM 0 HG2 ARG A 486 -8.913 -20.332 -10.346 1.00 71.24 H new ATOM 0 HG3 ARG A 486 -9.663 -21.045 -8.932 1.00 71.24 H new ATOM 0 HD2 ARG A 486 -11.751 -19.834 -9.372 1.00 53.31 H new ATOM 0 HD3 ARG A 486 -11.011 -18.979 -10.711 1.00 53.31 H new ATOM 0 HE ARG A 486 -11.392 -21.955 -10.698 1.00 55.11 H new ATOM 0 HH11 ARG A 486 -11.332 -18.830 -12.376 1.00 55.54 H new ATOM 0 HH12 ARG A 486 -11.935 -19.502 -13.895 1.00 55.54 H new ATOM 0 HH21 ARG A 486 -12.186 -22.795 -12.653 1.00 43.22 H new ATOM 0 HH22 ARG A 486 -12.415 -21.734 -14.047 1.00 43.22 H new ATOM 778 N PRO A 487 -9.532 -15.613 -8.167 1.00 2.12 N ATOM 779 CA PRO A 487 -9.145 -14.539 -7.247 1.00 13.43 C ATOM 780 C PRO A 487 -8.548 -15.102 -5.962 1.00 22.14 C ATOM 781 O PRO A 487 -9.122 -16.018 -5.348 1.00 21.30 O ATOM 782 CB PRO A 487 -10.474 -13.835 -6.934 1.00 13.31 C ATOM 783 CG PRO A 487 -11.358 -14.160 -8.085 1.00 41.50 C ATOM 784 CD PRO A 487 -10.962 -15.536 -8.530 1.00 74.11 C ATOM 0 HA PRO A 487 -8.390 -13.880 -7.676 1.00 13.43 H new ATOM 0 HB2 PRO A 487 -10.899 -14.192 -5.996 1.00 13.31 H new ATOM 0 HB3 PRO A 487 -10.337 -12.758 -6.833 1.00 13.31 H new ATOM 0 HG2 PRO A 487 -12.408 -14.131 -7.792 1.00 41.50 H new ATOM 0 HG3 PRO A 487 -11.232 -13.437 -8.891 1.00 41.50 H new ATOM 0 HD2 PRO A 487 -11.547 -16.305 -8.026 1.00 74.11 H new ATOM 0 HD3 PRO A 487 -11.113 -15.671 -9.601 1.00 74.11 H new ATOM 792 N SER A 488 -7.401 -14.602 -5.578 1.00 2.00 N ATOM 793 CA SER A 488 -6.770 -15.019 -4.357 1.00 71.10 C ATOM 794 C SER A 488 -7.521 -14.411 -3.178 1.00 72.53 C ATOM 795 O SER A 488 -7.584 -14.978 -2.085 1.00 23.02 O ATOM 796 CB SER A 488 -5.308 -14.591 -4.390 1.00 51.43 C ATOM 797 OG SER A 488 -5.214 -13.254 -4.849 1.00 3.32 O ATOM 0 H SER A 488 -6.882 -13.897 -6.102 1.00 2.00 H new ATOM 0 HA SER A 488 -6.801 -16.103 -4.247 1.00 71.10 H new ATOM 0 HB2 SER A 488 -4.871 -14.676 -3.395 1.00 51.43 H new ATOM 0 HB3 SER A 488 -4.740 -15.252 -5.045 1.00 51.43 H new ATOM 0 HG SER A 488 -4.675 -12.729 -4.220 1.00 3.32 H new ATOM 803 N GLY A 489 -8.122 -13.265 -3.434 1.00 65.22 N ATOM 804 CA GLY A 489 -8.919 -12.599 -2.449 1.00 33.42 C ATOM 805 C GLY A 489 -8.395 -11.235 -2.155 1.00 61.53 C ATOM 806 O GLY A 489 -9.069 -10.421 -1.544 1.00 21.21 O ATOM 0 H GLY A 489 -8.066 -12.780 -4.329 1.00 65.22 H new ATOM 0 HA2 GLY A 489 -9.948 -12.527 -2.800 1.00 33.42 H new ATOM 0 HA3 GLY A 489 -8.935 -13.189 -1.533 1.00 33.42 H new ATOM 810 N ASP A 490 -7.195 -10.985 -2.566 1.00 33.02 N ATOM 811 CA ASP A 490 -6.597 -9.707 -2.371 1.00 62.55 C ATOM 812 C ASP A 490 -6.675 -8.894 -3.647 1.00 52.24 C ATOM 813 O ASP A 490 -6.913 -9.440 -4.740 1.00 71.14 O ATOM 814 CB ASP A 490 -5.164 -9.835 -1.857 1.00 32.44 C ATOM 815 CG ASP A 490 -4.241 -10.539 -2.803 1.00 54.12 C ATOM 816 OD1 ASP A 490 -3.435 -9.869 -3.463 1.00 42.11 O ATOM 817 OD2 ASP A 490 -4.302 -11.792 -2.880 1.00 61.31 O ATOM 0 H ASP A 490 -6.602 -11.662 -3.046 1.00 33.02 H new ATOM 0 HA ASP A 490 -7.156 -9.175 -1.601 1.00 62.55 H new ATOM 0 HB2 ASP A 490 -4.771 -8.839 -1.655 1.00 32.44 H new ATOM 0 HB3 ASP A 490 -5.175 -10.372 -0.908 1.00 32.44 H new ATOM 822 N ALA A 491 -6.517 -7.605 -3.513 1.00 30.23 N ATOM 823 CA ALA A 491 -6.661 -6.685 -4.617 1.00 60.40 C ATOM 824 C ALA A 491 -5.949 -5.390 -4.301 1.00 30.53 C ATOM 825 O ALA A 491 -5.397 -5.228 -3.212 1.00 73.52 O ATOM 826 CB ALA A 491 -8.140 -6.393 -4.830 1.00 1.21 C ATOM 0 H ALA A 491 -6.282 -7.156 -2.628 1.00 30.23 H new ATOM 0 HA ALA A 491 -6.230 -7.128 -5.515 1.00 60.40 H new ATOM 0 HB1 ALA A 491 -8.258 -5.699 -5.662 1.00 1.21 H new ATOM 0 HB2 ALA A 491 -8.665 -7.321 -5.055 1.00 1.21 H new ATOM 0 HB3 ALA A 491 -8.557 -5.950 -3.926 1.00 1.21 H new ATOM 832 N PHE A 492 -5.966 -4.498 -5.242 1.00 65.13 N ATOM 833 CA PHE A 492 -5.440 -3.161 -5.112 1.00 14.20 C ATOM 834 C PHE A 492 -6.433 -2.193 -5.701 1.00 71.13 C ATOM 835 O PHE A 492 -7.095 -2.507 -6.686 1.00 43.42 O ATOM 836 CB PHE A 492 -4.107 -2.990 -5.853 1.00 45.05 C ATOM 837 CG PHE A 492 -2.929 -3.658 -5.221 1.00 43.34 C ATOM 838 CD1 PHE A 492 -2.178 -2.985 -4.274 1.00 54.52 C ATOM 839 CD2 PHE A 492 -2.559 -4.941 -5.579 1.00 12.14 C ATOM 840 CE1 PHE A 492 -1.082 -3.575 -3.693 1.00 21.12 C ATOM 841 CE2 PHE A 492 -1.461 -5.541 -4.999 1.00 14.51 C ATOM 842 CZ PHE A 492 -0.723 -4.854 -4.054 1.00 42.30 C ATOM 0 H PHE A 492 -6.362 -4.683 -6.164 1.00 65.13 H new ATOM 0 HA PHE A 492 -5.269 -2.971 -4.052 1.00 14.20 H new ATOM 0 HB2 PHE A 492 -4.222 -3.377 -6.866 1.00 45.05 H new ATOM 0 HB3 PHE A 492 -3.894 -1.925 -5.941 1.00 45.05 H new ATOM 0 HD1 PHE A 492 -2.457 -1.982 -3.988 1.00 54.52 H new ATOM 0 HD2 PHE A 492 -3.134 -5.478 -6.319 1.00 12.14 H new ATOM 0 HE1 PHE A 492 -0.504 -3.037 -2.956 1.00 21.12 H new ATOM 0 HE2 PHE A 492 -1.179 -6.544 -5.282 1.00 14.51 H new ATOM 0 HZ PHE A 492 0.137 -5.321 -3.598 1.00 42.30 H new ATOM 852 N ILE A 493 -6.562 -1.059 -5.099 1.00 50.24 N ATOM 853 CA ILE A 493 -7.412 -0.003 -5.602 1.00 11.53 C ATOM 854 C ILE A 493 -6.687 1.278 -5.397 1.00 11.52 C ATOM 855 O ILE A 493 -6.101 1.475 -4.368 1.00 3.55 O ATOM 856 CB ILE A 493 -8.792 0.094 -4.861 1.00 53.54 C ATOM 857 CG1 ILE A 493 -9.633 -1.163 -5.069 1.00 34.51 C ATOM 858 CG2 ILE A 493 -9.578 1.340 -5.292 1.00 11.12 C ATOM 859 CD1 ILE A 493 -11.003 -1.106 -4.423 1.00 43.12 C ATOM 0 H ILE A 493 -6.079 -0.824 -4.232 1.00 50.24 H new ATOM 0 HA ILE A 493 -7.627 -0.215 -6.650 1.00 11.53 H new ATOM 0 HB ILE A 493 -8.572 0.182 -3.797 1.00 53.54 H new ATOM 0 HG12 ILE A 493 -9.755 -1.333 -6.139 1.00 34.51 H new ATOM 0 HG13 ILE A 493 -9.091 -2.020 -4.670 1.00 34.51 H new ATOM 0 HG21 ILE A 493 -10.528 1.374 -4.758 1.00 11.12 H new ATOM 0 HG22 ILE A 493 -8.999 2.234 -5.059 1.00 11.12 H new ATOM 0 HG23 ILE A 493 -9.766 1.299 -6.365 1.00 11.12 H new ATOM 0 HD11 ILE A 493 -11.536 -2.037 -4.618 1.00 43.12 H new ATOM 0 HD12 ILE A 493 -10.893 -0.969 -3.347 1.00 43.12 H new ATOM 0 HD13 ILE A 493 -11.567 -0.271 -4.839 1.00 43.12 H new ATOM 871 N GLN A 494 -6.687 2.117 -6.353 1.00 0.44 N ATOM 872 CA GLN A 494 -6.089 3.399 -6.148 1.00 5.13 C ATOM 873 C GLN A 494 -7.180 4.440 -6.154 1.00 45.45 C ATOM 874 O GLN A 494 -8.139 4.331 -6.924 1.00 63.52 O ATOM 875 CB GLN A 494 -5.038 3.723 -7.204 1.00 75.02 C ATOM 876 CG GLN A 494 -4.199 4.932 -6.827 1.00 72.32 C ATOM 877 CD GLN A 494 -3.251 5.378 -7.900 1.00 10.44 C ATOM 878 OE1 GLN A 494 -2.787 4.581 -8.725 1.00 23.14 O ATOM 879 NE2 GLN A 494 -2.903 6.630 -7.869 1.00 40.42 N ATOM 0 H GLN A 494 -7.085 1.957 -7.279 1.00 0.44 H new ATOM 0 HA GLN A 494 -5.572 3.392 -5.188 1.00 5.13 H new ATOM 0 HB2 GLN A 494 -4.387 2.860 -7.343 1.00 75.02 H new ATOM 0 HB3 GLN A 494 -5.530 3.908 -8.159 1.00 75.02 H new ATOM 0 HG2 GLN A 494 -4.864 5.759 -6.578 1.00 72.32 H new ATOM 0 HG3 GLN A 494 -3.629 4.699 -5.927 1.00 72.32 H new ATOM 0 HE21 GLN A 494 -3.309 7.255 -7.173 1.00 40.42 H new ATOM 0 HE22 GLN A 494 -2.224 6.987 -8.541 1.00 40.42 H new ATOM 888 N MET A 495 -7.093 5.378 -5.267 1.00 61.14 N ATOM 889 CA MET A 495 -8.020 6.482 -5.229 1.00 45.33 C ATOM 890 C MET A 495 -7.338 7.701 -5.768 1.00 11.14 C ATOM 891 O MET A 495 -6.221 7.613 -6.281 1.00 5.23 O ATOM 892 CB MET A 495 -8.575 6.693 -3.818 1.00 22.02 C ATOM 893 CG MET A 495 -9.297 5.460 -3.297 1.00 24.33 C ATOM 894 SD MET A 495 -10.179 5.716 -1.751 1.00 5.12 S ATOM 895 CE MET A 495 -11.448 6.837 -2.293 1.00 23.13 C ATOM 0 H MET A 495 -6.377 5.408 -4.542 1.00 61.14 H new ATOM 0 HA MET A 495 -8.883 6.263 -5.857 1.00 45.33 H new ATOM 0 HB2 MET A 495 -7.759 6.947 -3.142 1.00 22.02 H new ATOM 0 HB3 MET A 495 -9.261 7.540 -3.822 1.00 22.02 H new ATOM 0 HG2 MET A 495 -10.005 5.121 -4.054 1.00 24.33 H new ATOM 0 HG3 MET A 495 -8.570 4.659 -3.159 1.00 24.33 H new ATOM 0 HE1 MET A 495 -12.169 6.987 -1.489 1.00 23.13 H new ATOM 0 HE2 MET A 495 -10.999 7.793 -2.560 1.00 23.13 H new ATOM 0 HE3 MET A 495 -11.956 6.419 -3.162 1.00 23.13 H new ATOM 905 N LYS A 496 -8.006 8.794 -5.745 1.00 32.05 N ATOM 906 CA LYS A 496 -7.428 10.031 -6.213 1.00 23.14 C ATOM 907 C LYS A 496 -6.706 10.710 -5.084 1.00 3.14 C ATOM 908 O LYS A 496 -5.623 11.267 -5.260 1.00 61.04 O ATOM 909 CB LYS A 496 -8.500 10.967 -6.704 1.00 24.20 C ATOM 910 CG LYS A 496 -7.973 12.181 -7.460 1.00 21.34 C ATOM 911 CD LYS A 496 -9.036 13.269 -7.705 1.00 45.10 C ATOM 912 CE LYS A 496 -10.281 12.772 -8.450 1.00 22.41 C ATOM 913 NZ LYS A 496 -11.210 12.018 -7.575 1.00 14.24 N ATOM 0 H LYS A 496 -8.965 8.873 -5.406 1.00 32.05 H new ATOM 0 HA LYS A 496 -6.742 9.796 -7.027 1.00 23.14 H new ATOM 0 HB2 LYS A 496 -9.178 10.415 -7.354 1.00 24.20 H new ATOM 0 HB3 LYS A 496 -9.085 11.310 -5.851 1.00 24.20 H new ATOM 0 HG2 LYS A 496 -7.145 12.615 -6.900 1.00 21.34 H new ATOM 0 HG3 LYS A 496 -7.573 11.854 -8.420 1.00 21.34 H new ATOM 0 HD2 LYS A 496 -9.342 13.685 -6.745 1.00 45.10 H new ATOM 0 HD3 LYS A 496 -8.585 14.081 -8.275 1.00 45.10 H new ATOM 0 HE2 LYS A 496 -10.806 13.625 -8.881 1.00 22.41 H new ATOM 0 HE3 LYS A 496 -9.973 12.135 -9.279 1.00 22.41 H new ATOM 0 HZ1 LYS A 496 -11.184 11.010 -7.828 1.00 14.24 H new ATOM 0 HZ2 LYS A 496 -10.922 12.133 -6.582 1.00 14.24 H new ATOM 0 HZ3 LYS A 496 -12.176 12.381 -7.700 1.00 14.24 H new ATOM 927 N SER A 497 -7.298 10.639 -3.929 1.00 34.12 N ATOM 928 CA SER A 497 -6.822 11.336 -2.810 1.00 14.13 C ATOM 929 C SER A 497 -6.332 10.390 -1.734 1.00 61.44 C ATOM 930 O SER A 497 -6.956 9.361 -1.456 1.00 44.44 O ATOM 931 CB SER A 497 -7.968 12.146 -2.240 1.00 74.22 C ATOM 932 OG SER A 497 -8.601 12.942 -3.232 1.00 13.01 O ATOM 0 H SER A 497 -8.135 10.083 -3.753 1.00 34.12 H new ATOM 0 HA SER A 497 -5.990 11.968 -3.121 1.00 14.13 H new ATOM 0 HB2 SER A 497 -8.700 11.474 -1.793 1.00 74.22 H new ATOM 0 HB3 SER A 497 -7.596 12.789 -1.442 1.00 74.22 H new ATOM 0 HG SER A 497 -9.329 12.432 -3.645 1.00 13.01 H new ATOM 938 N ALA A 498 -5.251 10.783 -1.091 1.00 62.24 N ATOM 939 CA ALA A 498 -4.694 10.048 0.023 1.00 22.33 C ATOM 940 C ALA A 498 -5.636 10.155 1.206 1.00 23.10 C ATOM 941 O ALA A 498 -5.746 9.250 2.025 1.00 32.31 O ATOM 942 CB ALA A 498 -3.327 10.614 0.383 1.00 11.50 C ATOM 0 H ALA A 498 -4.732 11.628 -1.330 1.00 62.24 H new ATOM 0 HA ALA A 498 -4.574 8.999 -0.249 1.00 22.33 H new ATOM 0 HB1 ALA A 498 -2.912 10.057 1.223 1.00 11.50 H new ATOM 0 HB2 ALA A 498 -2.660 10.528 -0.475 1.00 11.50 H new ATOM 0 HB3 ALA A 498 -3.429 11.664 0.659 1.00 11.50 H new ATOM 948 N ASP A 499 -6.355 11.266 1.245 1.00 54.13 N ATOM 949 CA ASP A 499 -7.307 11.555 2.316 1.00 15.42 C ATOM 950 C ASP A 499 -8.464 10.604 2.262 1.00 44.31 C ATOM 951 O ASP A 499 -8.874 10.037 3.274 1.00 23.02 O ATOM 952 CB ASP A 499 -7.837 12.986 2.227 1.00 61.20 C ATOM 953 CG ASP A 499 -6.806 14.033 2.542 1.00 34.01 C ATOM 954 OD1 ASP A 499 -6.083 14.467 1.621 1.00 40.33 O ATOM 955 OD2 ASP A 499 -6.723 14.470 3.708 1.00 14.42 O ATOM 0 H ASP A 499 -6.298 11.997 0.535 1.00 54.13 H new ATOM 0 HA ASP A 499 -6.774 11.436 3.259 1.00 15.42 H new ATOM 0 HB2 ASP A 499 -8.223 13.159 1.222 1.00 61.20 H new ATOM 0 HB3 ASP A 499 -8.676 13.097 2.914 1.00 61.20 H new ATOM 960 N ARG A 500 -8.979 10.407 1.070 1.00 5.34 N ATOM 961 CA ARG A 500 -10.090 9.519 0.881 1.00 22.42 C ATOM 962 C ARG A 500 -9.654 8.083 1.072 1.00 63.31 C ATOM 963 O ARG A 500 -10.388 7.288 1.646 1.00 20.23 O ATOM 964 CB ARG A 500 -10.787 9.710 -0.471 1.00 0.20 C ATOM 965 CG ARG A 500 -11.794 10.866 -0.567 1.00 0.12 C ATOM 966 CD ARG A 500 -11.178 12.253 -0.444 1.00 33.21 C ATOM 967 NE ARG A 500 -12.205 13.291 -0.599 1.00 44.24 N ATOM 968 CZ ARG A 500 -12.039 14.612 -0.425 1.00 64.05 C ATOM 969 NH1 ARG A 500 -10.828 15.128 -0.216 1.00 33.22 N ATOM 970 NH2 ARG A 500 -13.087 15.422 -0.516 1.00 70.35 N ATOM 0 H ARG A 500 -8.641 10.854 0.218 1.00 5.34 H new ATOM 0 HA ARG A 500 -10.830 9.770 1.641 1.00 22.42 H new ATOM 0 HB2 ARG A 500 -10.021 9.861 -1.231 1.00 0.20 H new ATOM 0 HB3 ARG A 500 -11.306 8.784 -0.721 1.00 0.20 H new ATOM 0 HG2 ARG A 500 -12.316 10.798 -1.521 1.00 0.12 H new ATOM 0 HG3 ARG A 500 -12.543 10.744 0.216 1.00 0.12 H new ATOM 0 HD2 ARG A 500 -10.693 12.356 0.526 1.00 33.21 H new ATOM 0 HD3 ARG A 500 -10.406 12.382 -1.202 1.00 33.21 H new ATOM 0 HE ARG A 500 -13.138 12.977 -0.866 1.00 44.24 H new ATOM 0 HH11 ARG A 500 -10.012 14.517 -0.187 1.00 33.22 H new ATOM 0 HH12 ARG A 500 -10.718 16.134 -0.086 1.00 33.22 H new ATOM 0 HH21 ARG A 500 -14.011 15.040 -0.717 1.00 70.35 H new ATOM 0 HH22 ARG A 500 -12.968 16.427 -0.385 1.00 70.35 H new ATOM 984 N ALA A 501 -8.433 7.777 0.640 1.00 70.14 N ATOM 985 CA ALA A 501 -7.869 6.442 0.799 1.00 64.22 C ATOM 986 C ALA A 501 -7.756 6.088 2.275 1.00 11.22 C ATOM 987 O ALA A 501 -8.077 4.972 2.681 1.00 35.10 O ATOM 988 CB ALA A 501 -6.512 6.344 0.114 1.00 41.03 C ATOM 0 H ALA A 501 -7.814 8.441 0.175 1.00 70.14 H new ATOM 0 HA ALA A 501 -8.539 5.726 0.323 1.00 64.22 H new ATOM 0 HB1 ALA A 501 -6.110 5.339 0.245 1.00 41.03 H new ATOM 0 HB2 ALA A 501 -6.625 6.553 -0.950 1.00 41.03 H new ATOM 0 HB3 ALA A 501 -5.828 7.069 0.555 1.00 41.03 H new ATOM 994 N PHE A 502 -7.329 7.062 3.076 1.00 23.41 N ATOM 995 CA PHE A 502 -7.230 6.895 4.517 1.00 71.33 C ATOM 996 C PHE A 502 -8.590 6.625 5.125 1.00 10.23 C ATOM 997 O PHE A 502 -8.740 5.735 5.963 1.00 61.22 O ATOM 998 CB PHE A 502 -6.573 8.126 5.170 1.00 3.12 C ATOM 999 CG PHE A 502 -6.552 8.091 6.681 1.00 34.32 C ATOM 1000 CD1 PHE A 502 -5.791 7.155 7.359 1.00 52.44 C ATOM 1001 CD2 PHE A 502 -7.293 9.003 7.417 1.00 42.20 C ATOM 1002 CE1 PHE A 502 -5.767 7.128 8.739 1.00 21.23 C ATOM 1003 CE2 PHE A 502 -7.274 8.979 8.796 1.00 31.05 C ATOM 1004 CZ PHE A 502 -6.511 8.040 9.460 1.00 4.34 C ATOM 0 H PHE A 502 -7.044 7.983 2.743 1.00 23.41 H new ATOM 0 HA PHE A 502 -6.595 6.030 4.712 1.00 71.33 H new ATOM 0 HB2 PHE A 502 -5.549 8.213 4.806 1.00 3.12 H new ATOM 0 HB3 PHE A 502 -7.104 9.021 4.846 1.00 3.12 H new ATOM 0 HD1 PHE A 502 -5.208 6.437 6.801 1.00 52.44 H new ATOM 0 HD2 PHE A 502 -7.892 9.741 6.904 1.00 42.20 H new ATOM 0 HE1 PHE A 502 -5.166 6.393 9.254 1.00 21.23 H new ATOM 0 HE2 PHE A 502 -7.856 9.695 9.356 1.00 31.05 H new ATOM 0 HZ PHE A 502 -6.496 8.019 10.540 1.00 4.34 H new ATOM 1014 N MET A 503 -9.583 7.371 4.683 1.00 62.34 N ATOM 1015 CA MET A 503 -10.931 7.201 5.184 1.00 74.05 C ATOM 1016 C MET A 503 -11.469 5.844 4.804 1.00 65.22 C ATOM 1017 O MET A 503 -12.089 5.176 5.615 1.00 14.44 O ATOM 1018 CB MET A 503 -11.865 8.291 4.685 1.00 1.31 C ATOM 1019 CG MET A 503 -11.563 9.676 5.199 1.00 14.12 C ATOM 1020 SD MET A 503 -12.704 10.914 4.541 1.00 21.13 S ATOM 1021 CE MET A 503 -14.281 10.296 5.162 1.00 23.15 C ATOM 0 H MET A 503 -9.481 8.101 3.978 1.00 62.34 H new ATOM 0 HA MET A 503 -10.884 7.277 6.270 1.00 74.05 H new ATOM 0 HB2 MET A 503 -11.829 8.309 3.596 1.00 1.31 H new ATOM 0 HB3 MET A 503 -12.885 8.030 4.966 1.00 1.31 H new ATOM 0 HG2 MET A 503 -11.617 9.677 6.288 1.00 14.12 H new ATOM 0 HG3 MET A 503 -10.542 9.947 4.930 1.00 14.12 H new ATOM 0 HE1 MET A 503 -15.020 11.097 5.139 1.00 23.15 H new ATOM 0 HE2 MET A 503 -14.621 9.471 4.536 1.00 23.15 H new ATOM 0 HE3 MET A 503 -14.157 9.946 6.187 1.00 23.15 H new ATOM 1031 N ALA A 504 -11.194 5.431 3.581 1.00 15.21 N ATOM 1032 CA ALA A 504 -11.632 4.141 3.086 1.00 52.21 C ATOM 1033 C ALA A 504 -10.965 3.020 3.863 1.00 44.00 C ATOM 1034 O ALA A 504 -11.621 2.054 4.257 1.00 12.12 O ATOM 1035 CB ALA A 504 -11.346 4.008 1.597 1.00 61.52 C ATOM 0 H ALA A 504 -10.662 5.979 2.905 1.00 15.21 H new ATOM 0 HA ALA A 504 -12.710 4.066 3.231 1.00 52.21 H new ATOM 0 HB1 ALA A 504 -11.683 3.032 1.248 1.00 61.52 H new ATOM 0 HB2 ALA A 504 -11.875 4.791 1.054 1.00 61.52 H new ATOM 0 HB3 ALA A 504 -10.275 4.106 1.422 1.00 61.52 H new ATOM 1041 N ALA A 505 -9.678 3.176 4.121 1.00 62.33 N ATOM 1042 CA ALA A 505 -8.911 2.194 4.857 1.00 43.20 C ATOM 1043 C ALA A 505 -9.366 2.115 6.288 1.00 63.22 C ATOM 1044 O ALA A 505 -9.453 1.057 6.836 1.00 14.31 O ATOM 1045 CB ALA A 505 -7.418 2.471 4.770 1.00 31.11 C ATOM 0 H ALA A 505 -9.138 3.989 3.825 1.00 62.33 H new ATOM 0 HA ALA A 505 -9.090 1.224 4.394 1.00 43.20 H new ATOM 0 HB1 ALA A 505 -6.874 1.714 5.334 1.00 31.11 H new ATOM 0 HB2 ALA A 505 -7.103 2.442 3.727 1.00 31.11 H new ATOM 0 HB3 ALA A 505 -7.206 3.456 5.186 1.00 31.11 H new ATOM 1051 N GLN A 506 -9.688 3.240 6.869 1.00 3.41 N ATOM 1052 CA GLN A 506 -10.161 3.282 8.237 1.00 72.45 C ATOM 1053 C GLN A 506 -11.558 2.669 8.328 1.00 23.15 C ATOM 1054 O GLN A 506 -11.856 1.871 9.225 1.00 13.21 O ATOM 1055 CB GLN A 506 -10.177 4.729 8.736 1.00 54.43 C ATOM 1056 CG GLN A 506 -10.617 4.906 10.178 1.00 11.43 C ATOM 1057 CD GLN A 506 -10.730 6.365 10.562 1.00 65.22 C ATOM 1058 OE1 GLN A 506 -9.766 6.985 11.031 1.00 35.42 O ATOM 1059 NE2 GLN A 506 -11.888 6.928 10.356 1.00 53.20 N ATOM 0 H GLN A 506 -9.632 4.152 6.415 1.00 3.41 H new ATOM 0 HA GLN A 506 -9.487 2.701 8.867 1.00 72.45 H new ATOM 0 HB2 GLN A 506 -9.177 5.147 8.623 1.00 54.43 H new ATOM 0 HB3 GLN A 506 -10.840 5.311 8.096 1.00 54.43 H new ATOM 0 HG2 GLN A 506 -11.580 4.417 10.326 1.00 11.43 H new ATOM 0 HG3 GLN A 506 -9.904 4.412 10.838 1.00 11.43 H new ATOM 0 HE21 GLN A 506 -12.658 6.383 9.968 1.00 53.20 H new ATOM 0 HE22 GLN A 506 -12.024 7.913 10.583 1.00 53.20 H new ATOM 1068 N LYS A 507 -12.392 3.010 7.373 1.00 61.41 N ATOM 1069 CA LYS A 507 -13.764 2.562 7.350 1.00 24.40 C ATOM 1070 C LYS A 507 -13.833 1.050 7.092 1.00 43.24 C ATOM 1071 O LYS A 507 -14.686 0.344 7.639 1.00 11.45 O ATOM 1072 CB LYS A 507 -14.528 3.312 6.247 1.00 12.01 C ATOM 1073 CG LYS A 507 -16.042 3.236 6.342 1.00 52.14 C ATOM 1074 CD LYS A 507 -16.542 3.975 7.571 1.00 51.04 C ATOM 1075 CE LYS A 507 -18.057 4.012 7.639 1.00 60.12 C ATOM 1076 NZ LYS A 507 -18.655 2.664 7.717 1.00 25.43 N ATOM 0 H LYS A 507 -12.136 3.608 6.587 1.00 61.41 H new ATOM 0 HA LYS A 507 -14.219 2.770 8.319 1.00 24.40 H new ATOM 0 HB2 LYS A 507 -14.231 4.360 6.270 1.00 12.01 H new ATOM 0 HB3 LYS A 507 -14.220 2.915 5.280 1.00 12.01 H new ATOM 0 HG2 LYS A 507 -16.489 3.666 5.446 1.00 52.14 H new ATOM 0 HG3 LYS A 507 -16.356 2.193 6.386 1.00 52.14 H new ATOM 0 HD2 LYS A 507 -16.151 3.493 8.467 1.00 51.04 H new ATOM 0 HD3 LYS A 507 -16.155 4.994 7.563 1.00 51.04 H new ATOM 0 HE2 LYS A 507 -18.364 4.592 8.509 1.00 60.12 H new ATOM 0 HE3 LYS A 507 -18.444 4.527 6.760 1.00 60.12 H new ATOM 0 HZ1 LYS A 507 -19.679 2.747 7.880 1.00 25.43 H new ATOM 0 HZ2 LYS A 507 -18.487 2.157 6.824 1.00 25.43 H new ATOM 0 HZ3 LYS A 507 -18.221 2.137 8.501 1.00 25.43 H new ATOM 1090 N CYS A 508 -12.919 0.560 6.301 1.00 1.53 N ATOM 1091 CA CYS A 508 -12.945 -0.806 5.897 1.00 71.51 C ATOM 1092 C CYS A 508 -11.738 -1.615 6.425 1.00 35.24 C ATOM 1093 O CYS A 508 -11.424 -2.685 5.898 1.00 51.24 O ATOM 1094 CB CYS A 508 -13.023 -0.869 4.379 1.00 70.42 C ATOM 1095 SG CYS A 508 -14.341 0.138 3.658 1.00 10.34 S ATOM 0 H CYS A 508 -12.140 1.100 5.923 1.00 1.53 H new ATOM 0 HA CYS A 508 -13.827 -1.271 6.337 1.00 71.51 H new ATOM 0 HB2 CYS A 508 -12.068 -0.547 3.964 1.00 70.42 H new ATOM 0 HB3 CYS A 508 -13.168 -1.906 4.077 1.00 70.42 H new ATOM 0 HG CYS A 508 -14.321 0.017 2.364 1.00 10.34 H new ATOM 1101 N HIS A 509 -11.062 -1.125 7.450 1.00 52.11 N ATOM 1102 CA HIS A 509 -9.955 -1.887 8.034 1.00 50.42 C ATOM 1103 C HIS A 509 -10.490 -3.136 8.759 1.00 11.04 C ATOM 1104 O HIS A 509 -10.948 -3.058 9.900 1.00 71.24 O ATOM 1105 CB HIS A 509 -9.102 -1.023 8.988 1.00 42.41 C ATOM 1106 CG HIS A 509 -7.790 -1.649 9.387 1.00 60.12 C ATOM 1107 ND1 HIS A 509 -7.522 -2.150 10.641 1.00 4.13 N ATOM 1108 CD2 HIS A 509 -6.652 -1.825 8.665 1.00 54.34 C ATOM 1109 CE1 HIS A 509 -6.264 -2.607 10.648 1.00 2.25 C ATOM 1110 NE2 HIS A 509 -5.687 -2.433 9.469 1.00 15.32 N ATOM 0 H HIS A 509 -11.248 -0.225 7.892 1.00 52.11 H new ATOM 0 HA HIS A 509 -9.305 -2.204 7.219 1.00 50.42 H new ATOM 0 HB2 HIS A 509 -8.903 -0.064 8.510 1.00 42.41 H new ATOM 0 HB3 HIS A 509 -9.681 -0.817 9.888 1.00 42.41 H new ATOM 0 HD2 HIS A 509 -6.516 -1.539 7.632 1.00 54.34 H new ATOM 0 HE1 HIS A 509 -5.783 -3.058 11.503 1.00 2.25 H new ATOM 0 HE2 HIS A 509 -4.736 -2.690 9.204 1.00 15.32 H new ATOM 1118 N LYS A 510 -10.515 -4.247 8.020 1.00 43.10 N ATOM 1119 CA LYS A 510 -10.928 -5.576 8.494 1.00 34.31 C ATOM 1120 C LYS A 510 -12.441 -5.595 8.724 1.00 63.10 C ATOM 1121 O LYS A 510 -12.974 -6.354 9.541 1.00 65.15 O ATOM 1122 CB LYS A 510 -10.122 -5.997 9.744 1.00 0.40 C ATOM 1123 CG LYS A 510 -10.163 -7.496 10.053 1.00 50.04 C ATOM 1124 CD LYS A 510 -9.241 -7.842 11.205 1.00 31.41 C ATOM 1125 CE LYS A 510 -9.100 -9.348 11.393 1.00 63.51 C ATOM 1126 NZ LYS A 510 -8.510 -10.015 10.209 1.00 31.11 N ATOM 0 H LYS A 510 -10.239 -4.249 7.038 1.00 43.10 H new ATOM 0 HA LYS A 510 -10.704 -6.320 7.729 1.00 34.31 H new ATOM 0 HB2 LYS A 510 -9.083 -5.695 9.609 1.00 0.40 H new ATOM 0 HB3 LYS A 510 -10.503 -5.451 10.607 1.00 0.40 H new ATOM 0 HG2 LYS A 510 -11.183 -7.792 10.298 1.00 50.04 H new ATOM 0 HG3 LYS A 510 -9.871 -8.061 9.168 1.00 50.04 H new ATOM 0 HD2 LYS A 510 -8.258 -7.406 11.026 1.00 31.41 H new ATOM 0 HD3 LYS A 510 -9.625 -7.397 12.123 1.00 31.41 H new ATOM 0 HE2 LYS A 510 -8.477 -9.545 12.265 1.00 63.51 H new ATOM 0 HE3 LYS A 510 -10.080 -9.779 11.598 1.00 63.51 H new ATOM 0 HZ1 LYS A 510 -8.050 -10.901 10.503 1.00 31.11 H new ATOM 0 HZ2 LYS A 510 -9.260 -10.226 9.520 1.00 31.11 H new ATOM 0 HZ3 LYS A 510 -7.805 -9.387 9.772 1.00 31.11 H new ATOM 1140 N LYS A 511 -13.117 -4.786 7.938 1.00 3.14 N ATOM 1141 CA LYS A 511 -14.554 -4.673 7.966 1.00 3.03 C ATOM 1142 C LYS A 511 -15.159 -5.875 7.246 1.00 61.14 C ATOM 1143 O LYS A 511 -14.607 -6.358 6.257 1.00 21.11 O ATOM 1144 CB LYS A 511 -14.994 -3.343 7.307 1.00 11.03 C ATOM 1145 CG LYS A 511 -16.512 -3.113 7.191 1.00 11.33 C ATOM 1146 CD LYS A 511 -17.236 -2.980 8.544 1.00 3.42 C ATOM 1147 CE LYS A 511 -17.073 -1.601 9.222 1.00 3.21 C ATOM 1148 NZ LYS A 511 -15.690 -1.278 9.638 1.00 60.52 N ATOM 0 H LYS A 511 -12.673 -4.178 7.250 1.00 3.14 H new ATOM 0 HA LYS A 511 -14.909 -4.665 8.996 1.00 3.03 H new ATOM 0 HB2 LYS A 511 -14.565 -2.519 7.878 1.00 11.03 H new ATOM 0 HB3 LYS A 511 -14.563 -3.297 6.307 1.00 11.03 H new ATOM 0 HG2 LYS A 511 -16.688 -2.209 6.607 1.00 11.33 H new ATOM 0 HG3 LYS A 511 -16.952 -3.941 6.636 1.00 11.33 H new ATOM 0 HD2 LYS A 511 -18.298 -3.175 8.395 1.00 3.42 H new ATOM 0 HD3 LYS A 511 -16.863 -3.750 9.219 1.00 3.42 H new ATOM 0 HE2 LYS A 511 -17.421 -0.830 8.535 1.00 3.21 H new ATOM 0 HE3 LYS A 511 -17.720 -1.563 10.098 1.00 3.21 H new ATOM 0 HZ1 LYS A 511 -15.714 -0.659 10.473 1.00 60.52 H new ATOM 0 HZ2 LYS A 511 -15.184 -2.156 9.872 1.00 60.52 H new ATOM 0 HZ3 LYS A 511 -15.198 -0.792 8.861 1.00 60.52 H new ATOM 1162 N ASN A 512 -16.246 -6.371 7.759 1.00 40.04 N ATOM 1163 CA ASN A 512 -16.893 -7.525 7.165 1.00 55.03 C ATOM 1164 C ASN A 512 -17.680 -7.125 5.927 1.00 14.01 C ATOM 1165 O ASN A 512 -18.217 -6.018 5.840 1.00 23.21 O ATOM 1166 CB ASN A 512 -17.828 -8.266 8.164 1.00 51.22 C ATOM 1167 CG ASN A 512 -19.138 -7.528 8.472 1.00 34.50 C ATOM 1168 OD1 ASN A 512 -20.147 -7.702 7.782 1.00 61.23 O ATOM 1169 ND2 ASN A 512 -19.149 -6.730 9.505 1.00 65.42 N ATOM 0 H ASN A 512 -16.711 -6.001 8.588 1.00 40.04 H new ATOM 0 HA ASN A 512 -16.097 -8.215 6.884 1.00 55.03 H new ATOM 0 HB2 ASN A 512 -18.066 -9.250 7.759 1.00 51.22 H new ATOM 0 HB3 ASN A 512 -17.288 -8.427 9.097 1.00 51.22 H new ATOM 0 HD21 ASN A 512 -20.004 -6.234 9.757 1.00 65.42 H new ATOM 0 HD22 ASN A 512 -18.303 -6.602 10.060 1.00 65.42 H new ATOM 1176 N MET A 513 -17.704 -8.004 4.986 1.00 4.14 N ATOM 1177 CA MET A 513 -18.491 -7.878 3.803 1.00 21.23 C ATOM 1178 C MET A 513 -19.247 -9.172 3.657 1.00 42.40 C ATOM 1179 O MET A 513 -18.661 -10.206 3.285 1.00 54.13 O ATOM 1180 CB MET A 513 -17.627 -7.636 2.555 1.00 52.35 C ATOM 1181 CG MET A 513 -18.440 -7.483 1.267 1.00 33.23 C ATOM 1182 SD MET A 513 -17.412 -7.312 -0.210 1.00 23.03 S ATOM 1183 CE MET A 513 -18.670 -7.168 -1.479 1.00 45.31 C ATOM 0 H MET A 513 -17.156 -8.864 5.018 1.00 4.14 H new ATOM 0 HA MET A 513 -19.156 -7.019 3.890 1.00 21.23 H new ATOM 0 HB2 MET A 513 -17.029 -6.737 2.706 1.00 52.35 H new ATOM 0 HB3 MET A 513 -16.931 -8.467 2.439 1.00 52.35 H new ATOM 0 HG2 MET A 513 -19.090 -8.350 1.151 1.00 33.23 H new ATOM 0 HG3 MET A 513 -19.086 -6.610 1.355 1.00 33.23 H new ATOM 0 HE1 MET A 513 -18.193 -7.056 -2.453 1.00 45.31 H new ATOM 0 HE2 MET A 513 -19.290 -8.064 -1.480 1.00 45.31 H new ATOM 0 HE3 MET A 513 -19.293 -6.296 -1.277 1.00 45.31 H new ATOM 1193 N LYS A 514 -20.516 -9.132 4.022 1.00 43.11 N ATOM 1194 CA LYS A 514 -21.430 -10.277 3.990 1.00 63.31 C ATOM 1195 C LYS A 514 -21.022 -11.366 4.994 1.00 30.24 C ATOM 1196 O LYS A 514 -21.545 -11.427 6.110 1.00 54.01 O ATOM 1197 CB LYS A 514 -21.570 -10.850 2.563 1.00 35.44 C ATOM 1198 CG LYS A 514 -22.063 -9.841 1.535 1.00 13.44 C ATOM 1199 CD LYS A 514 -22.128 -10.455 0.151 1.00 42.43 C ATOM 1200 CE LYS A 514 -22.525 -9.431 -0.909 1.00 54.10 C ATOM 1201 NZ LYS A 514 -23.854 -8.837 -0.666 1.00 63.45 N ATOM 0 H LYS A 514 -20.960 -8.278 4.361 1.00 43.11 H new ATOM 0 HA LYS A 514 -22.410 -9.911 4.295 1.00 63.31 H new ATOM 0 HB2 LYS A 514 -20.603 -11.237 2.242 1.00 35.44 H new ATOM 0 HB3 LYS A 514 -22.259 -11.694 2.588 1.00 35.44 H new ATOM 0 HG2 LYS A 514 -23.050 -9.479 1.822 1.00 13.44 H new ATOM 0 HG3 LYS A 514 -21.398 -8.977 1.522 1.00 13.44 H new ATOM 0 HD2 LYS A 514 -21.158 -10.882 -0.102 1.00 42.43 H new ATOM 0 HD3 LYS A 514 -22.847 -11.275 0.151 1.00 42.43 H new ATOM 0 HE2 LYS A 514 -21.778 -8.638 -0.938 1.00 54.10 H new ATOM 0 HE3 LYS A 514 -22.520 -9.909 -1.888 1.00 54.10 H new ATOM 0 HZ1 LYS A 514 -24.114 -8.228 -1.468 1.00 63.45 H new ATOM 0 HZ2 LYS A 514 -24.559 -9.594 -0.564 1.00 63.45 H new ATOM 0 HZ3 LYS A 514 -23.827 -8.270 0.205 1.00 63.45 H new ATOM 1215 N ASP A 515 -20.071 -12.173 4.603 1.00 35.54 N ATOM 1216 CA ASP A 515 -19.570 -13.274 5.414 1.00 31.21 C ATOM 1217 C ASP A 515 -18.055 -13.336 5.417 1.00 42.33 C ATOM 1218 O ASP A 515 -17.454 -14.164 6.100 1.00 30.40 O ATOM 1219 CB ASP A 515 -20.133 -14.628 4.962 1.00 1.31 C ATOM 1220 CG ASP A 515 -21.521 -14.912 5.469 1.00 64.21 C ATOM 1221 OD1 ASP A 515 -22.517 -14.578 4.780 1.00 54.01 O ATOM 1222 OD2 ASP A 515 -21.644 -15.516 6.562 1.00 3.20 O ATOM 0 H ASP A 515 -19.609 -12.090 3.698 1.00 35.54 H new ATOM 0 HA ASP A 515 -19.914 -13.074 6.429 1.00 31.21 H new ATOM 0 HB2 ASP A 515 -20.141 -14.661 3.873 1.00 1.31 H new ATOM 0 HB3 ASP A 515 -19.464 -15.420 5.300 1.00 1.31 H new ATOM 1227 N ARG A 516 -17.440 -12.463 4.685 1.00 34.53 N ATOM 1228 CA ARG A 516 -16.005 -12.457 4.544 1.00 25.32 C ATOM 1229 C ARG A 516 -15.484 -11.173 5.162 1.00 44.45 C ATOM 1230 O ARG A 516 -16.251 -10.259 5.385 1.00 12.33 O ATOM 1231 CB ARG A 516 -15.683 -12.546 3.051 1.00 14.44 C ATOM 1232 CG ARG A 516 -14.223 -12.741 2.677 1.00 45.12 C ATOM 1233 CD ARG A 516 -13.612 -14.002 3.274 1.00 64.51 C ATOM 1234 NE ARG A 516 -12.257 -14.213 2.753 1.00 53.14 N ATOM 1235 CZ ARG A 516 -11.143 -14.395 3.476 1.00 54.32 C ATOM 1236 NH1 ARG A 516 -11.212 -14.571 4.791 1.00 60.25 N ATOM 1237 NH2 ARG A 516 -9.961 -14.473 2.869 1.00 73.01 N ATOM 0 H ARG A 516 -17.915 -11.727 4.162 1.00 34.53 H new ATOM 0 HA ARG A 516 -15.531 -13.299 5.049 1.00 25.32 H new ATOM 0 HB2 ARG A 516 -16.255 -13.372 2.628 1.00 14.44 H new ATOM 0 HB3 ARG A 516 -16.038 -11.634 2.572 1.00 14.44 H new ATOM 0 HG2 ARG A 516 -14.135 -12.782 1.591 1.00 45.12 H new ATOM 0 HG3 ARG A 516 -13.651 -11.875 3.010 1.00 45.12 H new ATOM 0 HD2 ARG A 516 -13.581 -13.919 4.360 1.00 64.51 H new ATOM 0 HD3 ARG A 516 -14.237 -14.863 3.038 1.00 64.51 H new ATOM 0 HE ARG A 516 -12.152 -14.222 1.738 1.00 53.14 H new ATOM 0 HH11 ARG A 516 -12.118 -14.568 5.259 1.00 60.25 H new ATOM 0 HH12 ARG A 516 -10.359 -14.709 5.333 1.00 60.25 H new ATOM 0 HH21 ARG A 516 -9.903 -14.394 1.854 1.00 73.01 H new ATOM 0 HH22 ARG A 516 -9.113 -14.611 3.419 1.00 73.01 H new ATOM 1251 N TYR A 517 -14.224 -11.117 5.480 1.00 11.24 N ATOM 1252 CA TYR A 517 -13.660 -9.938 6.080 1.00 3.22 C ATOM 1253 C TYR A 517 -12.688 -9.308 5.136 1.00 10.02 C ATOM 1254 O TYR A 517 -11.689 -9.936 4.750 1.00 71.43 O ATOM 1255 CB TYR A 517 -12.948 -10.270 7.362 1.00 61.35 C ATOM 1256 CG TYR A 517 -13.805 -10.965 8.388 1.00 64.40 C ATOM 1257 CD1 TYR A 517 -14.653 -10.244 9.217 1.00 74.43 C ATOM 1258 CD2 TYR A 517 -13.766 -12.344 8.528 1.00 35.03 C ATOM 1259 CE1 TYR A 517 -15.441 -10.881 10.150 1.00 4.11 C ATOM 1260 CE2 TYR A 517 -14.546 -12.985 9.457 1.00 75.43 C ATOM 1261 CZ TYR A 517 -15.382 -12.252 10.266 1.00 73.15 C ATOM 1262 OH TYR A 517 -16.165 -12.895 11.193 1.00 50.24 O ATOM 0 H TYR A 517 -13.561 -11.878 5.334 1.00 11.24 H new ATOM 0 HA TYR A 517 -14.475 -9.248 6.299 1.00 3.22 H new ATOM 0 HB2 TYR A 517 -12.091 -10.903 7.134 1.00 61.35 H new ATOM 0 HB3 TYR A 517 -12.558 -9.349 7.796 1.00 61.35 H new ATOM 0 HD1 TYR A 517 -14.696 -9.168 9.129 1.00 74.43 H new ATOM 0 HD2 TYR A 517 -13.110 -12.923 7.895 1.00 35.03 H new ATOM 0 HE1 TYR A 517 -16.100 -10.309 10.786 1.00 4.11 H new ATOM 0 HE2 TYR A 517 -14.504 -14.060 9.552 1.00 75.43 H new ATOM 0 HH TYR A 517 -16.004 -13.860 11.144 1.00 50.24 H new ATOM 1272 N VAL A 518 -12.949 -8.093 4.806 1.00 71.45 N ATOM 1273 CA VAL A 518 -12.151 -7.360 3.887 1.00 24.25 C ATOM 1274 C VAL A 518 -11.209 -6.466 4.669 1.00 64.21 C ATOM 1275 O VAL A 518 -11.632 -5.551 5.375 1.00 31.30 O ATOM 1276 CB VAL A 518 -13.031 -6.502 2.944 1.00 34.45 C ATOM 1277 CG1 VAL A 518 -12.176 -5.733 1.944 1.00 44.51 C ATOM 1278 CG2 VAL A 518 -14.046 -7.364 2.210 1.00 52.15 C ATOM 0 H VAL A 518 -13.742 -7.568 5.176 1.00 71.45 H new ATOM 0 HA VAL A 518 -11.585 -8.059 3.271 1.00 24.25 H new ATOM 0 HB VAL A 518 -13.569 -5.784 3.562 1.00 34.45 H new ATOM 0 HG11 VAL A 518 -12.820 -5.140 1.295 1.00 44.51 H new ATOM 0 HG12 VAL A 518 -11.494 -5.073 2.480 1.00 44.51 H new ATOM 0 HG13 VAL A 518 -11.601 -6.436 1.340 1.00 44.51 H new ATOM 0 HG21 VAL A 518 -14.650 -6.736 1.555 1.00 52.15 H new ATOM 0 HG22 VAL A 518 -13.524 -8.113 1.615 1.00 52.15 H new ATOM 0 HG23 VAL A 518 -14.692 -7.861 2.934 1.00 52.15 H new ATOM 1288 N GLU A 519 -9.958 -6.762 4.585 1.00 20.20 N ATOM 1289 CA GLU A 519 -8.956 -5.993 5.242 1.00 63.33 C ATOM 1290 C GLU A 519 -8.400 -5.013 4.257 1.00 71.42 C ATOM 1291 O GLU A 519 -7.793 -5.391 3.257 1.00 21.21 O ATOM 1292 CB GLU A 519 -7.868 -6.886 5.812 1.00 15.14 C ATOM 1293 CG GLU A 519 -8.397 -7.875 6.821 1.00 15.42 C ATOM 1294 CD GLU A 519 -7.337 -8.746 7.410 1.00 42.43 C ATOM 1295 OE1 GLU A 519 -6.931 -8.513 8.571 1.00 35.22 O ATOM 1296 OE2 GLU A 519 -6.909 -9.707 6.749 1.00 5.31 O ATOM 0 H GLU A 519 -9.597 -7.553 4.052 1.00 20.20 H new ATOM 0 HA GLU A 519 -9.391 -5.457 6.085 1.00 63.33 H new ATOM 0 HB2 GLU A 519 -7.384 -7.427 4.999 1.00 15.14 H new ATOM 0 HB3 GLU A 519 -7.104 -6.267 6.282 1.00 15.14 H new ATOM 0 HG2 GLU A 519 -8.898 -7.332 7.623 1.00 15.42 H new ATOM 0 HG3 GLU A 519 -9.149 -8.503 6.343 1.00 15.42 H new ATOM 1303 N VAL A 520 -8.659 -3.779 4.502 1.00 24.11 N ATOM 1304 CA VAL A 520 -8.244 -2.735 3.629 1.00 54.43 C ATOM 1305 C VAL A 520 -7.046 -2.006 4.235 1.00 24.24 C ATOM 1306 O VAL A 520 -7.143 -1.416 5.306 1.00 52.22 O ATOM 1307 CB VAL A 520 -9.434 -1.766 3.408 1.00 44.43 C ATOM 1308 CG1 VAL A 520 -9.055 -0.574 2.579 1.00 34.12 C ATOM 1309 CG2 VAL A 520 -10.584 -2.510 2.759 1.00 71.21 C ATOM 0 H VAL A 520 -9.171 -3.459 5.324 1.00 24.11 H new ATOM 0 HA VAL A 520 -7.939 -3.144 2.666 1.00 54.43 H new ATOM 0 HB VAL A 520 -9.739 -1.391 4.385 1.00 44.43 H new ATOM 0 HG11 VAL A 520 -9.923 0.073 2.454 1.00 34.12 H new ATOM 0 HG12 VAL A 520 -8.260 -0.021 3.079 1.00 34.12 H new ATOM 0 HG13 VAL A 520 -8.706 -0.907 1.601 1.00 34.12 H new ATOM 0 HG21 VAL A 520 -11.419 -1.826 2.605 1.00 71.21 H new ATOM 0 HG22 VAL A 520 -10.262 -2.911 1.798 1.00 71.21 H new ATOM 0 HG23 VAL A 520 -10.900 -3.328 3.406 1.00 71.21 H new ATOM 1319 N PHE A 521 -5.928 -2.101 3.561 1.00 64.22 N ATOM 1320 CA PHE A 521 -4.693 -1.483 3.987 1.00 72.52 C ATOM 1321 C PHE A 521 -4.375 -0.337 3.039 1.00 64.54 C ATOM 1322 O PHE A 521 -4.689 -0.409 1.854 1.00 42.33 O ATOM 1323 CB PHE A 521 -3.543 -2.508 3.940 1.00 51.24 C ATOM 1324 CG PHE A 521 -3.767 -3.752 4.762 1.00 21.32 C ATOM 1325 CD1 PHE A 521 -4.191 -4.931 4.160 1.00 73.31 C ATOM 1326 CD2 PHE A 521 -3.553 -3.745 6.130 1.00 53.45 C ATOM 1327 CE1 PHE A 521 -4.394 -6.074 4.908 1.00 54.32 C ATOM 1328 CE2 PHE A 521 -3.757 -4.885 6.884 1.00 33.11 C ATOM 1329 CZ PHE A 521 -4.177 -6.049 6.274 1.00 11.43 C ATOM 0 H PHE A 521 -5.847 -2.618 2.686 1.00 64.22 H new ATOM 0 HA PHE A 521 -4.801 -1.118 5.008 1.00 72.52 H new ATOM 0 HB2 PHE A 521 -3.378 -2.800 2.903 1.00 51.24 H new ATOM 0 HB3 PHE A 521 -2.629 -2.023 4.283 1.00 51.24 H new ATOM 0 HD1 PHE A 521 -4.364 -4.953 3.094 1.00 73.31 H new ATOM 0 HD2 PHE A 521 -3.223 -2.838 6.614 1.00 53.45 H new ATOM 0 HE1 PHE A 521 -4.721 -6.985 4.428 1.00 54.32 H new ATOM 0 HE2 PHE A 521 -3.588 -4.865 7.950 1.00 33.11 H new ATOM 0 HZ PHE A 521 -4.336 -6.940 6.863 1.00 11.43 H new ATOM 1339 N GLN A 522 -3.751 0.695 3.533 1.00 31.10 N ATOM 1340 CA GLN A 522 -3.427 1.843 2.704 1.00 52.23 C ATOM 1341 C GLN A 522 -1.939 1.809 2.405 1.00 5.13 C ATOM 1342 O GLN A 522 -1.161 1.285 3.204 1.00 31.51 O ATOM 1343 CB GLN A 522 -3.767 3.121 3.440 1.00 3.41 C ATOM 1344 CG GLN A 522 -3.832 4.361 2.568 1.00 61.54 C ATOM 1345 CD GLN A 522 -3.920 5.612 3.390 1.00 31.40 C ATOM 1346 OE1 GLN A 522 -4.409 5.601 4.510 1.00 72.13 O ATOM 1347 NE2 GLN A 522 -3.492 6.700 2.843 1.00 25.12 N ATOM 0 H GLN A 522 -3.452 0.774 4.505 1.00 31.10 H new ATOM 0 HA GLN A 522 -4.000 1.809 1.778 1.00 52.23 H new ATOM 0 HB2 GLN A 522 -4.729 2.993 3.936 1.00 3.41 H new ATOM 0 HB3 GLN A 522 -3.024 3.282 4.221 1.00 3.41 H new ATOM 0 HG2 GLN A 522 -2.948 4.405 1.931 1.00 61.54 H new ATOM 0 HG3 GLN A 522 -4.697 4.297 1.908 1.00 61.54 H new ATOM 0 HE21 GLN A 522 -3.089 6.676 1.906 1.00 25.12 H new ATOM 0 HE22 GLN A 522 -3.557 7.584 3.347 1.00 25.12 H new ATOM 1356 N CYS A 523 -1.537 2.383 1.306 1.00 15.23 N ATOM 1357 CA CYS A 523 -0.151 2.335 0.888 1.00 44.20 C ATOM 1358 C CYS A 523 0.160 3.383 -0.150 1.00 43.23 C ATOM 1359 O CYS A 523 -0.743 4.040 -0.693 1.00 62.44 O ATOM 1360 CB CYS A 523 0.209 0.940 0.367 1.00 72.23 C ATOM 1361 SG CYS A 523 -0.959 0.267 -0.837 1.00 72.35 S ATOM 0 H CYS A 523 -2.151 2.896 0.673 1.00 15.23 H new ATOM 0 HA CYS A 523 0.460 2.551 1.765 1.00 44.20 H new ATOM 0 HB2 CYS A 523 1.199 0.980 -0.088 1.00 72.23 H new ATOM 0 HB3 CYS A 523 0.275 0.256 1.213 1.00 72.23 H new ATOM 0 HG CYS A 523 -0.562 -0.912 -1.214 1.00 72.35 H new ATOM 1367 N SER A 524 1.418 3.554 -0.406 1.00 62.32 N ATOM 1368 CA SER A 524 1.870 4.511 -1.373 1.00 51.34 C ATOM 1369 C SER A 524 2.025 3.911 -2.748 1.00 0.30 C ATOM 1370 O SER A 524 2.123 2.687 -2.900 1.00 13.10 O ATOM 1371 CB SER A 524 3.152 5.174 -0.902 1.00 41.32 C ATOM 1372 OG SER A 524 2.907 5.889 0.287 1.00 23.50 O ATOM 0 H SER A 524 2.167 3.033 0.050 1.00 62.32 H new ATOM 0 HA SER A 524 1.100 5.277 -1.462 1.00 51.34 H new ATOM 0 HB2 SER A 524 3.922 4.421 -0.733 1.00 41.32 H new ATOM 0 HB3 SER A 524 3.529 5.847 -1.672 1.00 41.32 H new ATOM 0 HG SER A 524 3.115 6.836 0.148 1.00 23.50 H new ATOM 1378 N ALA A 525 2.032 4.794 -3.741 1.00 72.15 N ATOM 1379 CA ALA A 525 2.187 4.447 -5.155 1.00 44.35 C ATOM 1380 C ALA A 525 3.406 3.566 -5.387 1.00 43.11 C ATOM 1381 O ALA A 525 3.383 2.662 -6.222 1.00 53.04 O ATOM 1382 CB ALA A 525 2.291 5.719 -5.988 1.00 4.25 C ATOM 0 H ALA A 525 1.928 5.796 -3.584 1.00 72.15 H new ATOM 0 HA ALA A 525 1.308 3.880 -5.462 1.00 44.35 H new ATOM 0 HB1 ALA A 525 2.406 5.457 -7.040 1.00 4.25 H new ATOM 0 HB2 ALA A 525 1.386 6.313 -5.859 1.00 4.25 H new ATOM 0 HB3 ALA A 525 3.155 6.298 -5.662 1.00 4.25 H new ATOM 1388 N GLU A 526 4.459 3.830 -4.635 1.00 21.33 N ATOM 1389 CA GLU A 526 5.690 3.060 -4.720 1.00 61.33 C ATOM 1390 C GLU A 526 5.411 1.631 -4.278 1.00 64.24 C ATOM 1391 O GLU A 526 5.668 0.699 -5.016 1.00 45.13 O ATOM 1392 CB GLU A 526 6.783 3.738 -3.855 1.00 72.23 C ATOM 1393 CG GLU A 526 8.240 3.244 -4.024 1.00 0.30 C ATOM 1394 CD GLU A 526 8.518 1.830 -3.535 1.00 73.23 C ATOM 1395 OE1 GLU A 526 8.685 0.925 -4.371 1.00 65.42 O ATOM 1396 OE2 GLU A 526 8.595 1.613 -2.304 1.00 32.43 O ATOM 0 H GLU A 526 4.487 4.583 -3.948 1.00 21.33 H new ATOM 0 HA GLU A 526 6.057 3.029 -5.746 1.00 61.33 H new ATOM 0 HB2 GLU A 526 6.764 4.807 -4.067 1.00 72.23 H new ATOM 0 HB3 GLU A 526 6.506 3.616 -2.808 1.00 72.23 H new ATOM 0 HG2 GLU A 526 8.504 3.302 -5.080 1.00 0.30 H new ATOM 0 HG3 GLU A 526 8.900 3.929 -3.492 1.00 0.30 H new ATOM 1403 N GLU A 527 4.795 1.493 -3.117 1.00 53.23 N ATOM 1404 CA GLU A 527 4.500 0.197 -2.528 1.00 4.42 C ATOM 1405 C GLU A 527 3.572 -0.610 -3.419 1.00 14.43 C ATOM 1406 O GLU A 527 3.740 -1.816 -3.579 1.00 71.22 O ATOM 1407 CB GLU A 527 3.884 0.370 -1.145 1.00 12.20 C ATOM 1408 CG GLU A 527 4.735 1.186 -0.186 1.00 50.23 C ATOM 1409 CD GLU A 527 4.076 1.357 1.157 1.00 54.42 C ATOM 1410 OE1 GLU A 527 4.368 0.562 2.085 1.00 55.23 O ATOM 1411 OE2 GLU A 527 3.248 2.279 1.317 1.00 14.35 O ATOM 0 H GLU A 527 4.483 2.283 -2.552 1.00 53.23 H new ATOM 0 HA GLU A 527 5.438 -0.350 -2.431 1.00 4.42 H new ATOM 0 HB2 GLU A 527 2.911 0.850 -1.250 1.00 12.20 H new ATOM 0 HB3 GLU A 527 3.709 -0.614 -0.711 1.00 12.20 H new ATOM 0 HG2 GLU A 527 5.701 0.698 -0.055 1.00 50.23 H new ATOM 0 HG3 GLU A 527 4.930 2.167 -0.620 1.00 50.23 H new ATOM 1418 N MET A 528 2.618 0.064 -4.011 1.00 22.10 N ATOM 1419 CA MET A 528 1.676 -0.581 -4.899 1.00 24.25 C ATOM 1420 C MET A 528 2.377 -1.074 -6.149 1.00 52.01 C ATOM 1421 O MET A 528 2.211 -2.231 -6.544 1.00 22.11 O ATOM 1422 CB MET A 528 0.516 0.362 -5.254 1.00 14.20 C ATOM 1423 CG MET A 528 -0.481 -0.208 -6.262 1.00 72.14 C ATOM 1424 SD MET A 528 -1.814 0.946 -6.648 1.00 65.20 S ATOM 1425 CE MET A 528 -2.726 0.018 -7.879 1.00 73.30 C ATOM 0 H MET A 528 2.471 1.067 -3.894 1.00 22.10 H new ATOM 0 HA MET A 528 1.255 -1.443 -4.381 1.00 24.25 H new ATOM 0 HB2 MET A 528 -0.019 0.619 -4.340 1.00 14.20 H new ATOM 0 HB3 MET A 528 0.928 1.289 -5.654 1.00 14.20 H new ATOM 0 HG2 MET A 528 0.045 -0.470 -7.180 1.00 72.14 H new ATOM 0 HG3 MET A 528 -0.907 -1.130 -5.865 1.00 72.14 H new ATOM 0 HE1 MET A 528 -3.780 0.291 -7.833 1.00 73.30 H new ATOM 0 HE2 MET A 528 -2.335 0.247 -8.870 1.00 73.30 H new ATOM 0 HE3 MET A 528 -2.618 -1.049 -7.684 1.00 73.30 H new ATOM 1435 N ASN A 529 3.222 -0.235 -6.718 1.00 24.31 N ATOM 1436 CA ASN A 529 3.888 -0.578 -7.958 1.00 21.43 C ATOM 1437 C ASN A 529 4.935 -1.648 -7.701 1.00 75.51 C ATOM 1438 O ASN A 529 5.175 -2.510 -8.537 1.00 52.42 O ATOM 1439 CB ASN A 529 4.505 0.663 -8.609 1.00 11.33 C ATOM 1440 CG ASN A 529 5.075 0.409 -9.998 1.00 55.20 C ATOM 1441 OD1 ASN A 529 6.252 0.061 -10.151 1.00 1.35 O ATOM 1442 ND2 ASN A 529 4.265 0.613 -11.016 1.00 3.40 N ATOM 0 H ASN A 529 3.462 0.683 -6.344 1.00 24.31 H new ATOM 0 HA ASN A 529 3.152 -0.977 -8.656 1.00 21.43 H new ATOM 0 HB2 ASN A 529 3.746 1.443 -8.675 1.00 11.33 H new ATOM 0 HB3 ASN A 529 5.298 1.044 -7.965 1.00 11.33 H new ATOM 0 HD21 ASN A 529 4.602 0.484 -11.970 1.00 3.40 H new ATOM 0 HD22 ASN A 529 3.300 0.900 -10.851 1.00 3.40 H new ATOM 1449 N PHE A 530 5.506 -1.605 -6.514 1.00 43.21 N ATOM 1450 CA PHE A 530 6.490 -2.567 -6.054 1.00 12.25 C ATOM 1451 C PHE A 530 5.893 -3.966 -6.015 1.00 30.30 C ATOM 1452 O PHE A 530 6.498 -4.922 -6.528 1.00 51.12 O ATOM 1453 CB PHE A 530 6.996 -2.149 -4.668 1.00 14.33 C ATOM 1454 CG PHE A 530 8.026 -3.044 -4.044 1.00 75.11 C ATOM 1455 CD1 PHE A 530 9.359 -2.900 -4.358 1.00 4.53 C ATOM 1456 CD2 PHE A 530 7.659 -4.011 -3.118 1.00 2.01 C ATOM 1457 CE1 PHE A 530 10.309 -3.700 -3.768 1.00 42.53 C ATOM 1458 CE2 PHE A 530 8.606 -4.816 -2.527 1.00 2.34 C ATOM 1459 CZ PHE A 530 9.934 -4.660 -2.851 1.00 13.03 C ATOM 0 H PHE A 530 5.294 -0.883 -5.825 1.00 43.21 H new ATOM 0 HA PHE A 530 7.330 -2.585 -6.749 1.00 12.25 H new ATOM 0 HB2 PHE A 530 7.414 -1.145 -4.744 1.00 14.33 H new ATOM 0 HB3 PHE A 530 6.141 -2.088 -3.995 1.00 14.33 H new ATOM 0 HD1 PHE A 530 9.661 -2.151 -5.075 1.00 4.53 H new ATOM 0 HD2 PHE A 530 6.618 -4.133 -2.858 1.00 2.01 H new ATOM 0 HE1 PHE A 530 11.351 -3.577 -4.023 1.00 42.53 H new ATOM 0 HE2 PHE A 530 8.308 -5.568 -1.811 1.00 2.34 H new ATOM 0 HZ PHE A 530 10.681 -5.288 -2.388 1.00 13.03 H new ATOM 1469 N VAL A 531 4.698 -4.092 -5.438 1.00 3.20 N ATOM 1470 CA VAL A 531 4.060 -5.386 -5.356 1.00 72.20 C ATOM 1471 C VAL A 531 3.610 -5.825 -6.750 1.00 24.23 C ATOM 1472 O VAL A 531 3.703 -7.003 -7.101 1.00 2.45 O ATOM 1473 CB VAL A 531 2.871 -5.414 -4.350 1.00 42.32 C ATOM 1474 CG1 VAL A 531 2.274 -6.819 -4.250 1.00 2.32 C ATOM 1475 CG2 VAL A 531 3.323 -4.945 -2.972 1.00 54.31 C ATOM 0 H VAL A 531 4.167 -3.322 -5.030 1.00 3.20 H new ATOM 0 HA VAL A 531 4.796 -6.091 -4.971 1.00 72.20 H new ATOM 0 HB VAL A 531 2.104 -4.735 -4.721 1.00 42.32 H new ATOM 0 HG11 VAL A 531 1.446 -6.813 -3.542 1.00 2.32 H new ATOM 0 HG12 VAL A 531 1.911 -7.131 -5.230 1.00 2.32 H new ATOM 0 HG13 VAL A 531 3.039 -7.516 -3.908 1.00 2.32 H new ATOM 0 HG21 VAL A 531 2.478 -4.972 -2.283 1.00 54.31 H new ATOM 0 HG22 VAL A 531 4.112 -5.602 -2.605 1.00 54.31 H new ATOM 0 HG23 VAL A 531 3.703 -3.926 -3.041 1.00 54.31 H new ATOM 1485 N LEU A 532 3.186 -4.859 -7.562 1.00 62.13 N ATOM 1486 CA LEU A 532 2.768 -5.142 -8.931 1.00 32.42 C ATOM 1487 C LEU A 532 3.939 -5.662 -9.759 1.00 63.52 C ATOM 1488 O LEU A 532 3.799 -6.642 -10.486 1.00 33.12 O ATOM 1489 CB LEU A 532 2.139 -3.914 -9.605 1.00 42.42 C ATOM 1490 CG LEU A 532 0.830 -3.388 -8.998 1.00 43.31 C ATOM 1491 CD1 LEU A 532 0.353 -2.158 -9.748 1.00 11.21 C ATOM 1492 CD2 LEU A 532 -0.250 -4.465 -9.000 1.00 10.42 C ATOM 0 H LEU A 532 3.123 -3.876 -7.296 1.00 62.13 H new ATOM 0 HA LEU A 532 2.003 -5.917 -8.879 1.00 32.42 H new ATOM 0 HB2 LEU A 532 2.870 -3.106 -9.589 1.00 42.42 H new ATOM 0 HB3 LEU A 532 1.955 -4.157 -10.651 1.00 42.42 H new ATOM 0 HG LEU A 532 1.028 -3.111 -7.962 1.00 43.31 H new ATOM 0 HD11 LEU A 532 -0.576 -1.799 -9.304 1.00 11.21 H new ATOM 0 HD12 LEU A 532 1.111 -1.377 -9.686 1.00 11.21 H new ATOM 0 HD13 LEU A 532 0.181 -2.413 -10.794 1.00 11.21 H new ATOM 0 HD21 LEU A 532 -1.165 -4.064 -8.564 1.00 10.42 H new ATOM 0 HD22 LEU A 532 -0.445 -4.783 -10.024 1.00 10.42 H new ATOM 0 HD23 LEU A 532 0.087 -5.319 -8.413 1.00 10.42 H new ATOM 1504 N MET A 533 5.113 -5.041 -9.599 1.00 31.32 N ATOM 1505 CA MET A 533 6.320 -5.457 -10.333 1.00 20.54 C ATOM 1506 C MET A 533 6.835 -6.786 -9.856 1.00 72.22 C ATOM 1507 O MET A 533 7.609 -7.459 -10.540 1.00 53.45 O ATOM 1508 CB MET A 533 7.441 -4.411 -10.277 1.00 20.42 C ATOM 1509 CG MET A 533 7.198 -3.145 -11.081 1.00 63.04 C ATOM 1510 SD MET A 533 7.087 -3.452 -12.856 1.00 70.40 S ATOM 1511 CE MET A 533 6.969 -1.769 -13.461 1.00 22.15 C ATOM 0 H MET A 533 5.256 -4.251 -8.970 1.00 31.32 H new ATOM 0 HA MET A 533 6.010 -5.555 -11.373 1.00 20.54 H new ATOM 0 HB2 MET A 533 7.603 -4.133 -9.235 1.00 20.42 H new ATOM 0 HB3 MET A 533 8.363 -4.873 -10.630 1.00 20.42 H new ATOM 0 HG2 MET A 533 6.275 -2.675 -10.740 1.00 63.04 H new ATOM 0 HG3 MET A 533 8.005 -2.438 -10.889 1.00 63.04 H new ATOM 0 HE1 MET A 533 6.893 -1.778 -14.548 1.00 22.15 H new ATOM 0 HE2 MET A 533 6.084 -1.292 -13.039 1.00 22.15 H new ATOM 0 HE3 MET A 533 7.858 -1.212 -13.164 1.00 22.15 H new ATOM 1521 N GLY A 534 6.373 -7.163 -8.731 1.00 61.13 N ATOM 1522 CA GLY A 534 6.787 -8.375 -8.115 1.00 21.32 C ATOM 1523 C GLY A 534 8.132 -8.222 -7.466 1.00 72.41 C ATOM 1524 O GLY A 534 9.013 -9.073 -7.633 1.00 62.01 O ATOM 0 H GLY A 534 5.684 -6.635 -8.195 1.00 61.13 H new ATOM 0 HA2 GLY A 534 6.052 -8.676 -7.368 1.00 21.32 H new ATOM 0 HA3 GLY A 534 6.828 -9.169 -8.860 1.00 21.32 H new ATOM 1528 N GLY A 535 8.308 -7.102 -6.761 1.00 23.23 N ATOM 1529 CA GLY A 535 9.510 -6.845 -6.037 1.00 42.04 C ATOM 1530 C GLY A 535 9.728 -7.871 -4.947 1.00 50.22 C ATOM 1531 O GLY A 535 8.774 -8.552 -4.541 1.00 44.30 O ATOM 0 H GLY A 535 7.610 -6.362 -6.689 1.00 23.23 H new ATOM 0 HA2 GLY A 535 10.358 -6.854 -6.722 1.00 42.04 H new ATOM 0 HA3 GLY A 535 9.466 -5.849 -5.597 1.00 42.04 H new ATOM 1535 N THR A 536 10.938 -7.987 -4.471 1.00 15.45 N ATOM 1536 CA THR A 536 11.265 -8.976 -3.482 1.00 11.30 C ATOM 1537 C THR A 536 10.554 -8.656 -2.159 1.00 13.01 C ATOM 1538 O THR A 536 10.861 -7.665 -1.480 1.00 70.12 O ATOM 1539 CB THR A 536 12.767 -9.013 -3.268 1.00 20.21 C ATOM 1540 OG1 THR A 536 13.415 -8.892 -4.559 1.00 60.33 O ATOM 1541 CG2 THR A 536 13.179 -10.339 -2.638 1.00 35.12 C ATOM 0 H THR A 536 11.722 -7.401 -4.757 1.00 15.45 H new ATOM 0 HA THR A 536 10.930 -9.952 -3.833 1.00 11.30 H new ATOM 0 HB THR A 536 13.059 -8.198 -2.606 1.00 20.21 H new ATOM 0 HG1 THR A 536 14.388 -8.912 -4.440 1.00 60.33 H new ATOM 0 HG21 THR A 536 14.259 -10.352 -2.490 1.00 35.12 H new ATOM 0 HG22 THR A 536 12.680 -10.456 -1.676 1.00 35.12 H new ATOM 0 HG23 THR A 536 12.893 -11.159 -3.297 1.00 35.12 H new ATOM 1549 N LEU A 537 9.605 -9.479 -1.831 1.00 0.50 N ATOM 1550 CA LEU A 537 8.794 -9.304 -0.666 1.00 4.35 C ATOM 1551 C LEU A 537 8.511 -10.671 -0.051 1.00 41.10 C ATOM 1552 O LEU A 537 7.592 -11.397 -0.458 1.00 43.43 O ATOM 1553 CB LEU A 537 7.480 -8.532 -1.020 1.00 65.41 C ATOM 1554 CG LEU A 537 6.625 -7.916 0.138 1.00 41.53 C ATOM 1555 CD1 LEU A 537 5.997 -8.963 1.053 1.00 55.31 C ATOM 1556 CD2 LEU A 537 7.446 -6.922 0.948 1.00 72.03 C ATOM 0 H LEU A 537 9.368 -10.307 -2.377 1.00 0.50 H new ATOM 0 HA LEU A 537 9.323 -8.698 0.070 1.00 4.35 H new ATOM 0 HB2 LEU A 537 7.747 -7.722 -1.698 1.00 65.41 H new ATOM 0 HB3 LEU A 537 6.837 -9.214 -1.576 1.00 65.41 H new ATOM 0 HG LEU A 537 5.799 -7.393 -0.343 1.00 41.53 H new ATOM 0 HD11 LEU A 537 5.419 -8.466 1.832 1.00 55.31 H new ATOM 0 HD12 LEU A 537 5.340 -9.609 0.470 1.00 55.31 H new ATOM 0 HD13 LEU A 537 6.783 -9.564 1.511 1.00 55.31 H new ATOM 0 HD21 LEU A 537 6.831 -6.507 1.747 1.00 72.03 H new ATOM 0 HD22 LEU A 537 8.308 -7.429 1.380 1.00 72.03 H new ATOM 0 HD23 LEU A 537 7.787 -6.117 0.298 1.00 72.03 H new ATOM 1568 N ASN A 538 9.355 -11.031 0.850 1.00 72.22 N ATOM 1569 CA ASN A 538 9.232 -12.225 1.666 1.00 14.11 C ATOM 1570 C ASN A 538 9.631 -11.762 3.038 1.00 64.55 C ATOM 1571 O ASN A 538 10.356 -12.414 3.791 1.00 32.23 O ATOM 1572 CB ASN A 538 10.154 -13.353 1.151 1.00 31.23 C ATOM 1573 CG ASN A 538 9.947 -14.678 1.893 1.00 75.15 C ATOM 1574 OD1 ASN A 538 8.860 -14.963 2.390 1.00 71.15 O ATOM 1575 ND2 ASN A 538 10.972 -15.491 1.965 1.00 32.21 N ATOM 0 H ASN A 538 10.193 -10.489 1.061 1.00 72.22 H new ATOM 0 HA ASN A 538 8.228 -12.650 1.647 1.00 14.11 H new ATOM 0 HB2 ASN A 538 9.973 -13.506 0.087 1.00 31.23 H new ATOM 0 HB3 ASN A 538 11.193 -13.042 1.256 1.00 31.23 H new ATOM 0 HD21 ASN A 538 10.879 -16.387 2.443 1.00 32.21 H new ATOM 0 HD22 ASN A 538 11.862 -15.228 1.543 1.00 32.21 H new ATOM 1582 N ARG A 539 9.094 -10.604 3.335 1.00 22.02 N ATOM 1583 CA ARG A 539 9.421 -9.830 4.494 1.00 0.55 C ATOM 1584 C ARG A 539 8.950 -10.482 5.778 1.00 43.22 C ATOM 1585 O ARG A 539 7.769 -10.417 6.145 1.00 61.42 O ATOM 1586 CB ARG A 539 8.871 -8.398 4.359 1.00 1.31 C ATOM 1587 CG ARG A 539 9.208 -7.480 5.529 1.00 50.54 C ATOM 1588 CD ARG A 539 8.685 -6.064 5.312 1.00 3.53 C ATOM 1589 NE ARG A 539 9.298 -5.417 4.144 1.00 54.24 N ATOM 1590 CZ ARG A 539 9.019 -4.176 3.697 1.00 43.32 C ATOM 1591 NH1 ARG A 539 8.152 -3.393 4.352 1.00 3.32 N ATOM 1592 NH2 ARG A 539 9.619 -3.725 2.601 1.00 1.41 N ATOM 0 H ARG A 539 8.388 -10.162 2.747 1.00 22.02 H new ATOM 0 HA ARG A 539 10.508 -9.780 4.554 1.00 0.55 H new ATOM 0 HB2 ARG A 539 9.262 -7.957 3.442 1.00 1.31 H new ATOM 0 HB3 ARG A 539 7.787 -8.447 4.252 1.00 1.31 H new ATOM 0 HG2 ARG A 539 8.781 -7.888 6.445 1.00 50.54 H new ATOM 0 HG3 ARG A 539 10.289 -7.450 5.667 1.00 50.54 H new ATOM 0 HD2 ARG A 539 7.603 -6.094 5.182 1.00 3.53 H new ATOM 0 HD3 ARG A 539 8.882 -5.466 6.201 1.00 3.53 H new ATOM 0 HE ARG A 539 9.995 -5.953 3.627 1.00 54.24 H new ATOM 0 HH11 ARG A 539 7.695 -3.734 5.198 1.00 3.32 H new ATOM 0 HH12 ARG A 539 7.948 -2.456 4.005 1.00 3.32 H new ATOM 0 HH21 ARG A 539 10.285 -4.316 2.104 1.00 1.41 H new ATOM 0 HH22 ARG A 539 9.413 -2.787 2.256 1.00 1.41 H new ATOM 1606 N LEU A 540 9.857 -11.150 6.406 1.00 74.43 N ATOM 1607 CA LEU A 540 9.647 -11.707 7.695 1.00 4.21 C ATOM 1608 C LEU A 540 10.442 -10.791 8.609 1.00 52.25 C ATOM 1609 O LEU A 540 11.647 -10.970 8.811 1.00 21.24 O ATOM 1610 CB LEU A 540 10.166 -13.167 7.742 1.00 65.50 C ATOM 1611 CG LEU A 540 9.658 -14.089 8.878 1.00 64.13 C ATOM 1612 CD1 LEU A 540 10.005 -13.565 10.264 1.00 63.02 C ATOM 1613 CD2 LEU A 540 8.166 -14.313 8.749 1.00 54.23 C ATOM 0 H LEU A 540 10.787 -11.327 6.026 1.00 74.43 H new ATOM 0 HA LEU A 540 8.597 -11.763 7.983 1.00 4.21 H new ATOM 0 HB2 LEU A 540 9.915 -13.640 6.792 1.00 65.50 H new ATOM 0 HB3 LEU A 540 11.254 -13.132 7.803 1.00 65.50 H new ATOM 0 HG LEU A 540 10.175 -15.042 8.767 1.00 64.13 H new ATOM 0 HD11 LEU A 540 9.624 -14.253 11.019 1.00 63.02 H new ATOM 0 HD12 LEU A 540 11.088 -13.483 10.362 1.00 63.02 H new ATOM 0 HD13 LEU A 540 9.553 -12.583 10.406 1.00 63.02 H new ATOM 0 HD21 LEU A 540 7.825 -14.963 9.555 1.00 54.23 H new ATOM 0 HD22 LEU A 540 7.648 -13.356 8.810 1.00 54.23 H new ATOM 0 HD23 LEU A 540 7.950 -14.782 7.789 1.00 54.23 H new ATOM 1625 N GLU A 541 9.794 -9.772 9.066 1.00 42.02 N ATOM 1626 CA GLU A 541 10.433 -8.723 9.792 1.00 45.52 C ATOM 1627 C GLU A 541 9.528 -8.363 10.951 1.00 73.21 C ATOM 1628 CB GLU A 541 10.593 -7.519 8.860 1.00 35.33 C ATOM 1629 CG GLU A 541 11.699 -6.548 9.225 1.00 50.32 C ATOM 1630 CD GLU A 541 13.080 -7.127 9.000 1.00 31.41 C ATOM 1631 OE1 GLU A 541 13.455 -7.379 7.821 1.00 42.20 O ATOM 1632 OE2 GLU A 541 13.838 -7.274 9.974 1.00 42.12 O ATOM 0 H GLU A 541 8.790 -9.642 8.944 1.00 42.02 H new ATOM 0 HA GLU A 541 11.414 -9.024 10.159 1.00 45.52 H new ATOM 0 HB2 GLU A 541 10.776 -7.886 7.850 1.00 35.33 H new ATOM 0 HB3 GLU A 541 9.649 -6.974 8.835 1.00 35.33 H new ATOM 0 HG2 GLU A 541 11.589 -5.639 8.633 1.00 50.32 H new ATOM 0 HG3 GLU A 541 11.595 -6.262 10.272 1.00 50.32 H new TER 1639 GLU A 541