USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 54 ASN : amide:sc= -4.6 K(o=-7,f=-13!) USER MOD Set 1.2: A 58 ASN : amide:sc= -2.4 K(o=-7,f=-12!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.00558 X(o=-0.23,f=0) USER MOD Set 3.1: A 27 SER OG : rot 161:sc= 0.163 USER MOD Set 3.2: A 73 LYS NZ :NH3+ -157:sc=0.000635 (180deg=-0.18) USER MOD Set 4.1: A 8 TYR OH : rot 180:sc= 0.769 USER MOD Set 4.2: A 50 SER OG : rot 157:sc= -1.73! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -68:sc= -2.22 USER MOD Single : A 14 MET CE :methyl 169:sc= -1.58! (180deg=-1.67) USER MOD Single : A 18 GLN : amide:sc= -19! C(o=-19!,f=-20!) USER MOD Single : A 19 SER OG : rot -114:sc= -0.292 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0883) USER MOD Single : A 25 THR OG1 : rot 19:sc= 1.14 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.5!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -120:sc= -2.02! USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0.278 (180deg=0.125) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0674 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.5!) USER MOD Single : A 75 ASN : amide:sc= -2.86 K(o=-2.9,f=-7.6!) USER MOD Single : A 76 TYR OH : rot -63:sc= 1.26 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 82 GLN : amide:sc=-0.00919 X(o=-0.0092,f=0.083) USER MOD Single : A 83 SER OG : rot -21:sc= 0.725 USER MOD Single : A 86 MET CE :methyl -137:sc=-0.00448 (180deg=-0.136) USER MOD Single : A 89 ASN : amide:sc= -3.2 K(o=-3.2,f=-8.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 3.607 0.017 -0.896 1.00 1.00 C ATOM 4 O MET A 1 4.324 -0.889 -1.347 1.00 1.00 O ATOM 5 CB MET A 1 1.768 1.227 -2.077 1.00 1.00 C ATOM 6 CG MET A 1 2.161 1.015 -3.540 1.00 1.00 C ATOM 7 SD MET A 1 1.147 2.071 -4.616 1.00 1.00 S ATOM 8 CE MET A 1 0.637 0.853 -5.865 1.00 1.00 C ATOM 0 H1 MET A 1 0.330 -0.012 -0.225 1.00 1.00 H new ATOM 0 H2 MET A 1 1.585 -0.843 0.559 1.00 1.00 H new ATOM 0 H3 MET A 1 1.568 0.855 0.549 1.00 1.00 H new ATOM 0 HA MET A 1 1.874 -0.898 -1.801 1.00 1.00 H new ATOM 0 HB2 MET A 1 0.699 1.429 -2.010 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.283 2.103 -1.682 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.217 1.248 -3.679 1.00 1.00 H new ATOM 0 HG3 MET A 1 2.027 -0.032 -3.813 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.004 1.337 -6.608 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.520 0.441 -6.354 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.081 0.049 -5.383 1.00 1.00 H new ATOM 18 N VAL A 2 4.039 1.030 -0.123 1.00 1.00 N ATOM 19 CA VAL A 2 5.432 1.161 0.268 1.00 1.00 C ATOM 20 C VAL A 2 5.576 0.812 1.750 1.00 1.00 C ATOM 21 O VAL A 2 6.497 0.054 2.091 1.00 1.00 O ATOM 22 CB VAL A 2 5.940 2.564 -0.068 1.00 1.00 C ATOM 23 CG1 VAL A 2 5.898 2.817 -1.577 1.00 1.00 C ATOM 24 CG2 VAL A 2 5.146 3.631 0.689 1.00 1.00 C ATOM 0 H VAL A 2 3.432 1.766 0.238 1.00 1.00 H new ATOM 0 HA VAL A 2 6.053 0.462 -0.292 1.00 1.00 H new ATOM 0 HB VAL A 2 6.980 2.629 0.253 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.264 3.822 -1.788 1.00 1.00 H new ATOM 0 HG12 VAL A 2 6.527 2.087 -2.086 1.00 1.00 H new ATOM 0 HG13 VAL A 2 4.872 2.723 -1.933 1.00 1.00 H new ATOM 0 HG21 VAL A 2 5.528 4.619 0.432 1.00 1.00 H new ATOM 0 HG22 VAL A 2 4.094 3.565 0.413 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.251 3.469 1.762 1.00 1.00 H new ATOM 34 N LYS A 3 4.679 1.362 2.588 1.00 1.00 N ATOM 35 CA LYS A 3 4.707 1.110 4.019 1.00 1.00 C ATOM 36 C LYS A 3 3.358 1.499 4.627 1.00 1.00 C ATOM 37 O LYS A 3 2.773 2.494 4.175 1.00 1.00 O ATOM 38 CB LYS A 3 5.900 1.818 4.664 1.00 1.00 C ATOM 39 CG LYS A 3 5.775 3.337 4.528 1.00 1.00 C ATOM 40 CD LYS A 3 6.255 4.043 5.799 1.00 1.00 C ATOM 41 CE LYS A 3 7.214 5.186 5.461 1.00 1.00 C ATOM 42 NZ LYS A 3 8.561 4.663 5.178 1.00 1.00 N ATOM 0 H LYS A 3 3.929 1.984 2.287 1.00 1.00 H new ATOM 0 HA LYS A 3 4.852 0.048 4.217 1.00 1.00 H new ATOM 0 HB2 LYS A 3 5.962 1.547 5.718 1.00 1.00 H new ATOM 0 HB3 LYS A 3 6.824 1.482 4.194 1.00 1.00 H new ATOM 0 HG2 LYS A 3 6.361 3.679 3.675 1.00 1.00 H new ATOM 0 HG3 LYS A 3 4.737 3.604 4.329 1.00 1.00 H new ATOM 0 HD2 LYS A 3 5.398 4.433 6.349 1.00 1.00 H new ATOM 0 HD3 LYS A 3 6.753 3.326 6.452 1.00 1.00 H new ATOM 0 HE2 LYS A 3 6.842 5.737 4.597 1.00 1.00 H new ATOM 0 HE3 LYS A 3 7.258 5.889 6.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 9.199 5.452 4.951 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 8.920 4.157 6.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 8.517 4.009 4.370 1.00 1.00 H new ATOM 56 N PRO A 4 2.900 0.720 5.623 1.00 1.00 N ATOM 57 CA PRO A 4 1.639 0.952 6.307 1.00 1.00 C ATOM 58 C PRO A 4 1.748 2.133 7.273 1.00 1.00 C ATOM 59 O PRO A 4 2.872 2.598 7.512 1.00 1.00 O ATOM 60 CB PRO A 4 1.323 -0.360 7.006 1.00 1.00 C ATOM 61 CG PRO A 4 2.637 -1.123 7.073 1.00 1.00 C ATOM 62 CD PRO A 4 3.618 -0.446 6.130 1.00 1.00 C ATOM 0 HA PRO A 4 0.835 1.228 5.624 1.00 1.00 H new ATOM 0 HB2 PRO A 4 0.922 -0.184 8.004 1.00 1.00 H new ATOM 0 HB3 PRO A 4 0.571 -0.925 6.455 1.00 1.00 H new ATOM 0 HG2 PRO A 4 3.026 -1.125 8.091 1.00 1.00 H new ATOM 0 HG3 PRO A 4 2.489 -2.164 6.787 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.530 -0.154 6.650 1.00 1.00 H new ATOM 0 HD3 PRO A 4 3.913 -1.113 5.320 1.00 1.00 H new ATOM 70 N PRO A 5 0.597 2.588 7.800 1.00 1.00 N ATOM 71 CA PRO A 5 0.526 3.700 8.733 1.00 1.00 C ATOM 72 C PRO A 5 1.005 3.280 10.124 1.00 1.00 C ATOM 73 O PRO A 5 0.959 2.079 10.426 1.00 1.00 O ATOM 74 CB PRO A 5 -0.929 4.139 8.712 1.00 1.00 C ATOM 75 CG PRO A 5 -1.708 2.971 8.130 1.00 1.00 C ATOM 76 CD PRO A 5 -0.711 2.015 7.495 1.00 1.00 C ATOM 0 HA PRO A 5 1.181 4.526 8.454 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -1.279 4.380 9.716 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -1.058 5.035 8.105 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -2.278 2.466 8.910 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -2.425 3.322 7.388 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -0.809 1.010 7.906 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -0.868 1.936 6.419 1.00 1.00 H new ATOM 84 N TYR A 6 1.447 4.261 10.930 1.00 1.00 N ATOM 85 CA TYR A 6 1.920 3.928 12.263 1.00 1.00 C ATOM 86 C TYR A 6 1.055 4.647 13.301 1.00 1.00 C ATOM 87 O TYR A 6 0.128 4.013 13.826 1.00 1.00 O ATOM 88 CB TYR A 6 3.409 4.294 12.404 1.00 1.00 C ATOM 89 CG TYR A 6 4.333 3.562 11.441 1.00 1.00 C ATOM 90 CD1 TYR A 6 4.232 3.794 10.050 1.00 1.00 C ATOM 91 CD2 TYR A 6 5.300 2.654 11.930 1.00 1.00 C ATOM 92 CE1 TYR A 6 5.089 3.120 9.154 1.00 1.00 C ATOM 93 CE2 TYR A 6 6.157 1.980 11.033 1.00 1.00 C ATOM 94 CZ TYR A 6 6.051 2.212 9.644 1.00 1.00 C ATOM 95 OH TYR A 6 6.878 1.561 8.773 1.00 1.00 O ATOM 0 H TYR A 6 1.483 5.251 10.685 1.00 1.00 H new ATOM 0 HA TYR A 6 1.833 2.855 12.432 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.522 5.367 12.251 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.727 4.082 13.425 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.497 4.489 9.672 1.00 1.00 H new ATOM 0 HD2 TYR A 6 5.383 2.476 12.992 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.008 3.300 8.092 1.00 1.00 H new ATOM 0 HE2 TYR A 6 6.894 1.286 11.409 1.00 1.00 H new ATOM 0 HH TYR A 6 7.482 0.973 9.273 1.00 1.00 H new ATOM 105 N SER A 7 1.371 5.925 13.578 1.00 1.00 N ATOM 106 CA SER A 7 0.629 6.707 14.553 1.00 1.00 C ATOM 107 C SER A 7 0.476 8.140 14.040 1.00 1.00 C ATOM 108 O SER A 7 1.423 8.650 13.423 1.00 1.00 O ATOM 109 CB SER A 7 1.320 6.703 15.918 1.00 1.00 C ATOM 110 OG SER A 7 1.082 5.493 16.632 1.00 1.00 O ATOM 0 H SER A 7 2.139 6.429 13.133 1.00 1.00 H new ATOM 0 HA SER A 7 -0.354 6.255 14.683 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.393 6.839 15.782 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.964 7.548 16.507 1.00 1.00 H new ATOM 0 HG SER A 7 1.541 5.528 17.497 1.00 1.00 H new ATOM 116 N TYR A 8 -0.693 8.751 14.300 1.00 1.00 N ATOM 117 CA TYR A 8 -0.903 10.112 13.835 1.00 1.00 C ATOM 118 C TYR A 8 -0.241 11.087 14.811 1.00 1.00 C ATOM 119 O TYR A 8 0.461 11.994 14.340 1.00 1.00 O ATOM 120 CB TYR A 8 -2.409 10.392 13.679 1.00 1.00 C ATOM 121 CG TYR A 8 -2.856 10.663 12.249 1.00 1.00 C ATOM 122 CD1 TYR A 8 -2.191 11.631 11.463 1.00 1.00 C ATOM 123 CD2 TYR A 8 -3.947 9.949 11.703 1.00 1.00 C ATOM 124 CE1 TYR A 8 -2.611 11.881 10.139 1.00 1.00 C ATOM 125 CE2 TYR A 8 -4.367 10.198 10.379 1.00 1.00 C ATOM 126 CZ TYR A 8 -3.700 11.164 9.595 1.00 1.00 C ATOM 127 OH TYR A 8 -4.109 11.402 8.314 1.00 1.00 O ATOM 0 H TYR A 8 -1.472 8.335 14.810 1.00 1.00 H new ATOM 0 HA TYR A 8 -0.444 10.246 12.855 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -2.966 9.538 14.065 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -2.672 11.250 14.297 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -1.359 12.181 11.877 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -4.461 9.211 12.301 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -2.100 12.621 9.541 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -5.200 9.649 9.965 1.00 1.00 H new ATOM 0 HH TYR A 8 -4.870 10.822 8.100 1.00 1.00 H new ATOM 137 N ILE A 9 -0.476 10.894 16.121 1.00 1.00 N ATOM 138 CA ILE A 9 0.090 11.760 17.140 1.00 1.00 C ATOM 139 C ILE A 9 1.617 11.688 17.075 1.00 1.00 C ATOM 140 O ILE A 9 2.259 12.749 17.076 1.00 1.00 O ATOM 141 CB ILE A 9 -0.483 11.415 18.516 1.00 1.00 C ATOM 142 CG1 ILE A 9 0.054 10.070 19.012 1.00 1.00 C ATOM 143 CG2 ILE A 9 -2.012 11.449 18.497 1.00 1.00 C ATOM 144 CD1 ILE A 9 -0.430 9.777 20.433 1.00 1.00 C ATOM 0 H ILE A 9 -1.057 10.140 16.488 1.00 1.00 H new ATOM 0 HA ILE A 9 -0.189 12.797 16.955 1.00 1.00 H new ATOM 0 HB ILE A 9 -0.153 12.175 19.224 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -0.272 9.275 18.342 1.00 1.00 H new ATOM 0 HG13 ILE A 9 1.144 10.079 18.990 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -2.394 11.200 19.487 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -2.350 12.447 18.218 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -2.383 10.724 17.772 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -0.034 8.816 20.761 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -0.082 10.561 21.105 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -1.519 9.745 20.447 1.00 1.00 H new ATOM 156 N ALA A 10 2.160 10.459 17.020 1.00 1.00 N ATOM 157 CA ALA A 10 3.597 10.254 16.955 1.00 1.00 C ATOM 158 C ALA A 10 4.166 11.033 15.767 1.00 1.00 C ATOM 159 O ALA A 10 5.357 11.375 15.802 1.00 1.00 O ATOM 160 CB ALA A 10 3.895 8.778 16.681 1.00 1.00 C ATOM 0 H ALA A 10 1.614 9.598 17.020 1.00 1.00 H new ATOM 0 HA ALA A 10 4.035 10.580 17.899 1.00 1.00 H new ATOM 0 HB1 ALA A 10 4.973 8.627 16.633 1.00 1.00 H new ATOM 0 HB2 ALA A 10 3.479 8.168 17.483 1.00 1.00 H new ATOM 0 HB3 ALA A 10 3.445 8.486 15.732 1.00 1.00 H new ATOM 166 N LEU A 11 3.317 11.295 14.757 1.00 1.00 N ATOM 167 CA LEU A 11 3.733 12.027 13.573 1.00 1.00 C ATOM 168 C LEU A 11 3.719 13.527 13.875 1.00 1.00 C ATOM 169 O LEU A 11 4.687 14.211 13.510 1.00 1.00 O ATOM 170 CB LEU A 11 2.871 11.634 12.370 1.00 1.00 C ATOM 171 CG LEU A 11 3.567 10.804 11.290 1.00 1.00 C ATOM 172 CD1 LEU A 11 4.649 11.622 10.582 1.00 1.00 C ATOM 173 CD2 LEU A 11 4.120 9.502 11.870 1.00 1.00 C ATOM 0 H LEU A 11 2.339 11.005 14.748 1.00 1.00 H new ATOM 0 HA LEU A 11 4.756 11.765 13.303 1.00 1.00 H new ATOM 0 HB2 LEU A 11 2.010 11.073 12.733 1.00 1.00 H new ATOM 0 HB3 LEU A 11 2.487 12.545 11.910 1.00 1.00 H new ATOM 0 HG LEU A 11 2.826 10.532 10.538 1.00 1.00 H new ATOM 0 HD11 LEU A 11 5.128 11.008 9.819 1.00 1.00 H new ATOM 0 HD12 LEU A 11 4.196 12.496 10.113 1.00 1.00 H new ATOM 0 HD13 LEU A 11 5.394 11.945 11.309 1.00 1.00 H new ATOM 0 HD21 LEU A 11 4.610 8.931 11.081 1.00 1.00 H new ATOM 0 HD22 LEU A 11 4.842 9.731 12.654 1.00 1.00 H new ATOM 0 HD23 LEU A 11 3.303 8.915 12.289 1.00 1.00 H new ATOM 185 N ILE A 12 2.641 14.001 14.525 1.00 1.00 N ATOM 186 CA ILE A 12 2.507 15.405 14.871 1.00 1.00 C ATOM 187 C ILE A 12 3.438 15.729 16.041 1.00 1.00 C ATOM 188 O ILE A 12 4.129 16.756 15.978 1.00 1.00 O ATOM 189 CB ILE A 12 1.041 15.754 15.137 1.00 1.00 C ATOM 190 CG1 ILE A 12 0.286 15.985 13.826 1.00 1.00 C ATOM 191 CG2 ILE A 12 0.924 16.949 16.085 1.00 1.00 C ATOM 192 CD1 ILE A 12 0.209 14.698 13.003 1.00 1.00 C ATOM 0 H ILE A 12 1.854 13.421 14.817 1.00 1.00 H new ATOM 0 HA ILE A 12 2.814 16.034 14.035 1.00 1.00 H new ATOM 0 HB ILE A 12 0.572 14.904 15.633 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -0.720 16.344 14.040 1.00 1.00 H new ATOM 0 HG13 ILE A 12 0.785 16.762 13.247 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -0.128 17.175 16.257 1.00 1.00 H new ATOM 0 HG22 ILE A 12 1.403 16.709 17.034 1.00 1.00 H new ATOM 0 HG23 ILE A 12 1.414 17.815 15.640 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.333 14.890 12.077 1.00 1.00 H new ATOM 0 HD12 ILE A 12 1.217 14.355 12.770 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.312 13.931 13.575 1.00 1.00 H new ATOM 204 N THR A 13 3.437 14.862 17.069 1.00 1.00 N ATOM 205 CA THR A 13 4.276 15.055 18.240 1.00 1.00 C ATOM 206 C THR A 13 5.657 15.542 17.798 1.00 1.00 C ATOM 207 O THR A 13 6.263 16.340 18.527 1.00 1.00 O ATOM 208 CB THR A 13 4.317 13.747 19.032 1.00 1.00 C ATOM 209 OG1 THR A 13 4.573 12.751 18.046 1.00 1.00 O ATOM 210 CG2 THR A 13 2.950 13.364 19.602 1.00 1.00 C ATOM 0 H THR A 13 2.859 14.022 17.102 1.00 1.00 H new ATOM 0 HA THR A 13 3.872 15.822 18.901 1.00 1.00 H new ATOM 0 HB THR A 13 5.037 13.839 19.845 1.00 1.00 H new ATOM 0 HG1 THR A 13 3.795 12.667 17.456 1.00 1.00 H new ATOM 0 HG21 THR A 13 3.035 12.428 20.155 1.00 1.00 H new ATOM 0 HG22 THR A 13 2.602 14.150 20.271 1.00 1.00 H new ATOM 0 HG23 THR A 13 2.238 13.240 18.786 1.00 1.00 H new ATOM 218 N MET A 14 6.121 15.059 16.631 1.00 1.00 N ATOM 219 CA MET A 14 7.418 15.442 16.100 1.00 1.00 C ATOM 220 C MET A 14 7.283 16.764 15.341 1.00 1.00 C ATOM 221 O MET A 14 8.241 17.551 15.353 1.00 1.00 O ATOM 222 CB MET A 14 7.946 14.362 15.154 1.00 1.00 C ATOM 223 CG MET A 14 9.326 13.872 15.597 1.00 1.00 C ATOM 224 SD MET A 14 10.603 15.053 15.073 1.00 1.00 S ATOM 225 CE MET A 14 10.543 14.805 13.274 1.00 1.00 C ATOM 0 H MET A 14 5.606 14.402 16.045 1.00 1.00 H new ATOM 0 HA MET A 14 8.119 15.559 16.926 1.00 1.00 H new ATOM 0 HB2 MET A 14 7.250 13.524 15.128 1.00 1.00 H new ATOM 0 HB3 MET A 14 8.005 14.759 14.140 1.00 1.00 H new ATOM 0 HG2 MET A 14 9.349 13.756 16.681 1.00 1.00 H new ATOM 0 HG3 MET A 14 9.528 12.891 15.167 1.00 1.00 H new ATOM 0 HE1 MET A 14 11.121 15.586 12.780 1.00 1.00 H new ATOM 0 HE2 MET A 14 10.964 13.830 13.027 1.00 1.00 H new ATOM 0 HE3 MET A 14 9.508 14.850 12.935 1.00 1.00 H new ATOM 235 N ALA A 15 6.117 16.978 14.706 1.00 1.00 N ATOM 236 CA ALA A 15 5.863 18.193 13.951 1.00 1.00 C ATOM 237 C ALA A 15 5.895 19.394 14.898 1.00 1.00 C ATOM 238 O ALA A 15 6.552 20.390 14.565 1.00 1.00 O ATOM 239 CB ALA A 15 4.451 18.148 13.363 1.00 1.00 C ATOM 0 H ALA A 15 5.341 16.316 14.708 1.00 1.00 H new ATOM 0 HA ALA A 15 6.617 18.277 13.168 1.00 1.00 H new ATOM 0 HB1 ALA A 15 4.263 19.061 12.797 1.00 1.00 H new ATOM 0 HB2 ALA A 15 4.359 17.286 12.702 1.00 1.00 H new ATOM 0 HB3 ALA A 15 3.723 18.065 14.170 1.00 1.00 H new ATOM 245 N ILE A 16 5.196 19.277 16.041 1.00 1.00 N ATOM 246 CA ILE A 16 5.145 20.346 17.025 1.00 1.00 C ATOM 247 C ILE A 16 6.566 20.831 17.318 1.00 1.00 C ATOM 248 O ILE A 16 6.766 22.051 17.407 1.00 1.00 O ATOM 249 CB ILE A 16 4.382 19.891 18.271 1.00 1.00 C ATOM 250 CG1 ILE A 16 4.440 20.956 19.368 1.00 1.00 C ATOM 251 CG2 ILE A 16 4.890 18.534 18.761 1.00 1.00 C ATOM 252 CD1 ILE A 16 4.072 22.334 18.815 1.00 1.00 C ATOM 0 H ILE A 16 4.661 18.447 16.296 1.00 1.00 H new ATOM 0 HA ILE A 16 4.591 21.199 16.633 1.00 1.00 H new ATOM 0 HB ILE A 16 3.334 19.763 18.002 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.757 20.690 20.175 1.00 1.00 H new ATOM 0 HG13 ILE A 16 5.442 20.988 19.796 1.00 1.00 H new ATOM 0 HG21 ILE A 16 4.331 18.235 19.647 1.00 1.00 H new ATOM 0 HG22 ILE A 16 4.753 17.789 17.977 1.00 1.00 H new ATOM 0 HG23 ILE A 16 5.949 18.610 19.009 1.00 1.00 H new ATOM 0 HD11 ILE A 16 4.121 23.072 19.615 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.772 22.608 18.025 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.061 22.305 18.410 1.00 1.00 H new ATOM 264 N LEU A 17 7.510 19.883 17.459 1.00 1.00 N ATOM 265 CA LEU A 17 8.897 20.212 17.739 1.00 1.00 C ATOM 266 C LEU A 17 9.387 21.245 16.722 1.00 1.00 C ATOM 267 O LEU A 17 10.240 22.069 17.082 1.00 1.00 O ATOM 268 CB LEU A 17 9.750 18.943 17.787 1.00 1.00 C ATOM 269 CG LEU A 17 9.914 18.296 19.163 1.00 1.00 C ATOM 270 CD1 LEU A 17 10.399 19.317 20.194 1.00 1.00 C ATOM 271 CD2 LEU A 17 8.621 17.606 19.603 1.00 1.00 C ATOM 0 H LEU A 17 7.325 18.883 17.381 1.00 1.00 H new ATOM 0 HA LEU A 17 8.989 20.667 18.725 1.00 1.00 H new ATOM 0 HB2 LEU A 17 9.311 18.208 17.112 1.00 1.00 H new ATOM 0 HB3 LEU A 17 10.741 19.180 17.399 1.00 1.00 H new ATOM 0 HG LEU A 17 10.680 17.524 19.089 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.507 18.831 21.164 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.362 19.721 19.881 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.674 20.127 20.273 1.00 1.00 H new ATOM 0 HD21 LEU A 17 8.765 17.154 20.584 1.00 1.00 H new ATOM 0 HD22 LEU A 17 7.817 18.340 19.656 1.00 1.00 H new ATOM 0 HD23 LEU A 17 8.358 16.832 18.882 1.00 1.00 H new ATOM 283 N GLN A 18 8.846 21.182 15.492 1.00 1.00 N ATOM 284 CA GLN A 18 9.226 22.105 14.436 1.00 1.00 C ATOM 285 C GLN A 18 9.330 23.518 15.013 1.00 1.00 C ATOM 286 O GLN A 18 10.158 24.297 14.518 1.00 1.00 O ATOM 287 CB GLN A 18 8.237 22.060 13.269 1.00 1.00 C ATOM 288 CG GLN A 18 8.762 21.172 12.139 1.00 1.00 C ATOM 289 CD GLN A 18 8.169 19.764 12.229 1.00 1.00 C ATOM 290 OE1 GLN A 18 7.177 19.438 11.597 1.00 1.00 O ATOM 291 NE2 GLN A 18 8.829 18.950 13.048 1.00 1.00 N ATOM 0 H GLN A 18 8.144 20.496 15.216 1.00 1.00 H new ATOM 0 HA GLN A 18 10.197 21.806 14.041 1.00 1.00 H new ATOM 0 HB2 GLN A 18 7.276 21.682 13.617 1.00 1.00 H new ATOM 0 HB3 GLN A 18 8.066 23.069 12.894 1.00 1.00 H new ATOM 0 HG2 GLN A 18 8.510 21.616 11.176 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.849 21.117 12.190 1.00 1.00 H new ATOM 0 HE21 GLN A 18 9.652 19.287 13.547 1.00 1.00 H new ATOM 0 HE22 GLN A 18 8.512 17.989 13.177 1.00 1.00 H new ATOM 300 N SER A 19 8.503 23.816 16.031 1.00 1.00 N ATOM 301 CA SER A 19 8.503 25.122 16.666 1.00 1.00 C ATOM 302 C SER A 19 8.664 24.950 18.178 1.00 1.00 C ATOM 303 O SER A 19 7.662 24.657 18.847 1.00 1.00 O ATOM 304 CB SER A 19 7.222 25.897 16.353 1.00 1.00 C ATOM 305 OG SER A 19 6.883 25.833 14.971 1.00 1.00 O ATOM 0 H SER A 19 7.828 23.160 16.424 1.00 1.00 H new ATOM 0 HA SER A 19 9.339 25.699 16.271 1.00 1.00 H new ATOM 0 HB2 SER A 19 6.401 25.495 16.947 1.00 1.00 H new ATOM 0 HB3 SER A 19 7.348 26.939 16.647 1.00 1.00 H new ATOM 0 HG SER A 19 6.956 26.726 14.574 1.00 1.00 H new ATOM 311 N PRO A 20 9.900 25.131 18.677 1.00 1.00 N ATOM 312 CA PRO A 20 10.221 25.005 20.088 1.00 1.00 C ATOM 313 C PRO A 20 9.720 26.217 20.875 1.00 1.00 C ATOM 314 O PRO A 20 9.908 26.243 22.100 1.00 1.00 O ATOM 315 CB PRO A 20 11.733 24.850 20.135 1.00 1.00 C ATOM 316 CG PRO A 20 12.245 25.359 18.797 1.00 1.00 C ATOM 317 CD PRO A 20 11.057 25.475 17.856 1.00 1.00 C ATOM 0 HA PRO A 20 9.731 24.151 20.556 1.00 1.00 H new ATOM 0 HB2 PRO A 20 12.159 25.422 20.959 1.00 1.00 H new ATOM 0 HB3 PRO A 20 12.014 23.808 20.290 1.00 1.00 H new ATOM 0 HG2 PRO A 20 12.732 26.327 18.918 1.00 1.00 H new ATOM 0 HG3 PRO A 20 12.990 24.676 18.389 1.00 1.00 H new ATOM 0 HD2 PRO A 20 10.970 26.483 17.451 1.00 1.00 H new ATOM 0 HD3 PRO A 20 11.156 24.798 17.008 1.00 1.00 H new ATOM 325 N GLN A 21 9.101 27.180 20.169 1.00 1.00 N ATOM 326 CA GLN A 21 8.578 28.381 20.798 1.00 1.00 C ATOM 327 C GLN A 21 7.051 28.301 20.850 1.00 1.00 C ATOM 328 O GLN A 21 6.512 28.021 21.931 1.00 1.00 O ATOM 329 CB GLN A 21 9.037 29.643 20.065 1.00 1.00 C ATOM 330 CG GLN A 21 9.588 29.304 18.679 1.00 1.00 C ATOM 331 CD GLN A 21 10.196 30.539 18.013 1.00 1.00 C ATOM 332 OE1 GLN A 21 9.636 31.122 17.098 1.00 1.00 O ATOM 333 NE2 GLN A 21 11.370 30.905 18.520 1.00 1.00 N ATOM 0 H GLN A 21 8.956 27.139 19.160 1.00 1.00 H new ATOM 0 HA GLN A 21 8.969 28.443 21.814 1.00 1.00 H new ATOM 0 HB2 GLN A 21 8.201 30.336 19.968 1.00 1.00 H new ATOM 0 HB3 GLN A 21 9.804 30.149 20.651 1.00 1.00 H new ATOM 0 HG2 GLN A 21 10.344 28.524 18.765 1.00 1.00 H new ATOM 0 HG3 GLN A 21 8.789 28.906 18.054 1.00 1.00 H new ATOM 0 HE21 GLN A 21 11.783 30.373 19.286 1.00 1.00 H new ATOM 0 HE22 GLN A 21 11.857 31.718 18.143 1.00 1.00 H new ATOM 342 N LYS A 22 6.396 28.544 19.701 1.00 1.00 N ATOM 343 CA LYS A 22 4.946 28.501 19.617 1.00 1.00 C ATOM 344 C LYS A 22 4.497 29.119 18.292 1.00 1.00 C ATOM 345 O LYS A 22 3.518 29.880 18.298 1.00 1.00 O ATOM 346 CB LYS A 22 4.318 29.160 20.847 1.00 1.00 C ATOM 347 CG LYS A 22 3.694 28.113 21.771 1.00 1.00 C ATOM 348 CD LYS A 22 2.456 28.672 22.477 1.00 1.00 C ATOM 349 CE LYS A 22 2.849 29.469 23.722 1.00 1.00 C ATOM 350 NZ LYS A 22 2.549 28.700 24.941 1.00 1.00 N ATOM 0 H LYS A 22 6.860 28.772 18.822 1.00 1.00 H new ATOM 0 HA LYS A 22 4.595 27.469 19.623 1.00 1.00 H new ATOM 0 HB2 LYS A 22 5.077 29.723 21.390 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.556 29.873 20.533 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.420 27.230 21.193 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.427 27.794 22.512 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.900 29.312 21.792 1.00 1.00 H new ATOM 0 HD3 LYS A 22 1.793 27.854 22.759 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.912 29.708 23.688 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.310 30.416 23.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.822 29.255 25.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.530 28.494 24.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.083 27.808 24.929 1.00 1.00 H new ATOM 364 N LYS A 23 5.209 28.786 17.200 1.00 1.00 N ATOM 365 CA LYS A 23 4.885 29.305 15.882 1.00 1.00 C ATOM 366 C LYS A 23 5.085 28.202 14.841 1.00 1.00 C ATOM 367 O LYS A 23 6.218 28.042 14.362 1.00 1.00 O ATOM 368 CB LYS A 23 5.689 30.575 15.595 1.00 1.00 C ATOM 369 CG LYS A 23 4.841 31.826 15.835 1.00 1.00 C ATOM 370 CD LYS A 23 5.545 32.789 16.795 1.00 1.00 C ATOM 371 CE LYS A 23 4.713 34.055 17.009 1.00 1.00 C ATOM 372 NZ LYS A 23 4.738 34.898 15.802 1.00 1.00 N ATOM 0 H LYS A 23 6.012 28.158 17.217 1.00 1.00 H new ATOM 0 HA LYS A 23 3.837 29.601 15.836 1.00 1.00 H new ATOM 0 HB2 LYS A 23 6.573 30.602 16.233 1.00 1.00 H new ATOM 0 HB3 LYS A 23 6.041 30.562 14.563 1.00 1.00 H new ATOM 0 HG2 LYS A 23 4.649 32.328 14.886 1.00 1.00 H new ATOM 0 HG3 LYS A 23 3.873 31.540 16.246 1.00 1.00 H new ATOM 0 HD2 LYS A 23 5.715 32.295 17.752 1.00 1.00 H new ATOM 0 HD3 LYS A 23 6.524 33.056 16.396 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.685 33.785 17.250 1.00 1.00 H new ATOM 0 HE3 LYS A 23 5.103 34.615 17.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 4.315 35.824 16.016 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 5.722 35.030 15.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 4.195 34.436 15.045 1.00 1.00 H new ATOM 386 N LEU A 24 4.001 27.476 14.517 1.00 1.00 N ATOM 387 CA LEU A 24 4.057 26.400 13.542 1.00 1.00 C ATOM 388 C LEU A 24 3.374 26.852 12.250 1.00 1.00 C ATOM 389 O LEU A 24 2.178 27.177 12.297 1.00 1.00 O ATOM 390 CB LEU A 24 3.474 25.114 14.129 1.00 1.00 C ATOM 391 CG LEU A 24 4.119 24.614 15.423 1.00 1.00 C ATOM 392 CD1 LEU A 24 3.102 24.578 16.565 1.00 1.00 C ATOM 393 CD2 LEU A 24 4.791 23.256 15.211 1.00 1.00 C ATOM 0 H LEU A 24 3.078 27.624 14.924 1.00 1.00 H new ATOM 0 HA LEU A 24 5.092 26.167 13.291 1.00 1.00 H new ATOM 0 HB2 LEU A 24 2.411 25.272 14.314 1.00 1.00 H new ATOM 0 HB3 LEU A 24 3.554 24.327 13.379 1.00 1.00 H new ATOM 0 HG LEU A 24 4.900 25.319 15.710 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.587 24.219 17.473 1.00 1.00 H new ATOM 0 HD12 LEU A 24 2.710 25.581 16.735 1.00 1.00 H new ATOM 0 HD13 LEU A 24 2.283 23.908 16.302 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.242 22.923 16.146 1.00 1.00 H new ATOM 0 HD22 LEU A 24 4.047 22.528 14.888 1.00 1.00 H new ATOM 0 HD23 LEU A 24 5.564 23.348 14.448 1.00 1.00 H new ATOM 405 N THR A 25 4.133 26.864 11.139 1.00 1.00 N ATOM 406 CA THR A 25 3.604 27.272 9.849 1.00 1.00 C ATOM 407 C THR A 25 3.162 26.032 9.069 1.00 1.00 C ATOM 408 O THR A 25 4.033 25.336 8.526 1.00 1.00 O ATOM 409 CB THR A 25 4.667 28.099 9.125 1.00 1.00 C ATOM 410 OG1 THR A 25 5.723 27.174 8.884 1.00 1.00 O ATOM 411 CG2 THR A 25 5.299 29.160 10.028 1.00 1.00 C ATOM 0 H THR A 25 5.116 26.593 11.121 1.00 1.00 H new ATOM 0 HA THR A 25 2.722 27.902 9.958 1.00 1.00 H new ATOM 0 HB THR A 25 4.221 28.582 8.256 1.00 1.00 H new ATOM 0 HG1 THR A 25 5.379 26.259 8.953 1.00 1.00 H new ATOM 0 HG21 THR A 25 6.047 29.719 9.465 1.00 1.00 H new ATOM 0 HG22 THR A 25 4.527 29.843 10.383 1.00 1.00 H new ATOM 0 HG23 THR A 25 5.774 28.676 10.881 1.00 1.00 H new ATOM 419 N LEU A 26 1.841 25.785 9.028 1.00 1.00 N ATOM 420 CA LEU A 26 1.293 24.640 8.321 1.00 1.00 C ATOM 421 C LEU A 26 1.962 24.525 6.949 1.00 1.00 C ATOM 422 O LEU A 26 2.090 23.399 6.447 1.00 1.00 O ATOM 423 CB LEU A 26 -0.233 24.730 8.255 1.00 1.00 C ATOM 424 CG LEU A 26 -0.944 23.572 7.553 1.00 1.00 C ATOM 425 CD1 LEU A 26 -0.958 23.774 6.037 1.00 1.00 C ATOM 426 CD2 LEU A 26 -0.325 22.229 7.947 1.00 1.00 C ATOM 0 H LEU A 26 1.140 26.372 9.481 1.00 1.00 H new ATOM 0 HA LEU A 26 1.512 23.719 8.861 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -0.617 24.802 9.273 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -0.501 25.656 7.747 1.00 1.00 H new ATOM 0 HG LEU A 26 -1.982 23.558 7.885 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -1.469 22.936 5.563 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -1.481 24.700 5.798 1.00 1.00 H new ATOM 0 HD13 LEU A 26 0.066 23.830 5.668 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -0.849 21.422 7.434 1.00 1.00 H new ATOM 0 HD22 LEU A 26 0.727 22.216 7.663 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -0.412 22.090 9.025 1.00 1.00 H new ATOM 438 N SER A 27 2.369 25.674 6.380 1.00 1.00 N ATOM 439 CA SER A 27 3.017 25.702 5.080 1.00 1.00 C ATOM 440 C SER A 27 4.305 24.878 5.140 1.00 1.00 C ATOM 441 O SER A 27 4.538 24.080 4.220 1.00 1.00 O ATOM 442 CB SER A 27 3.324 27.134 4.638 1.00 1.00 C ATOM 443 OG SER A 27 4.416 27.188 3.724 1.00 1.00 O ATOM 0 H SER A 27 2.255 26.591 6.811 1.00 1.00 H new ATOM 0 HA SER A 27 2.337 25.271 4.345 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.439 27.567 4.172 1.00 1.00 H new ATOM 0 HB3 SER A 27 3.553 27.742 5.513 1.00 1.00 H new ATOM 0 HG SER A 27 4.393 28.038 3.237 1.00 1.00 H new ATOM 449 N GLY A 28 5.103 25.083 6.203 1.00 1.00 N ATOM 450 CA GLY A 28 6.353 24.364 6.378 1.00 1.00 C ATOM 451 C GLY A 28 6.059 22.962 6.917 1.00 1.00 C ATOM 452 O GLY A 28 6.889 22.065 6.708 1.00 1.00 O ATOM 0 H GLY A 28 4.893 25.745 6.950 1.00 1.00 H new ATOM 0 HA2 GLY A 28 6.883 24.297 5.428 1.00 1.00 H new ATOM 0 HA3 GLY A 28 7.002 24.903 7.068 1.00 1.00 H new ATOM 456 N ILE A 29 4.904 22.805 7.588 1.00 1.00 N ATOM 457 CA ILE A 29 4.508 21.524 8.149 1.00 1.00 C ATOM 458 C ILE A 29 4.387 20.494 7.024 1.00 1.00 C ATOM 459 O ILE A 29 5.024 19.436 7.122 1.00 1.00 O ATOM 460 CB ILE A 29 3.235 21.676 8.983 1.00 1.00 C ATOM 461 CG1 ILE A 29 3.489 22.542 10.219 1.00 1.00 C ATOM 462 CG2 ILE A 29 2.654 20.309 9.351 1.00 1.00 C ATOM 463 CD1 ILE A 29 4.595 21.942 11.090 1.00 1.00 C ATOM 0 H ILE A 29 4.235 23.558 7.749 1.00 1.00 H new ATOM 0 HA ILE A 29 5.270 21.157 8.836 1.00 1.00 H new ATOM 0 HB ILE A 29 2.489 22.191 8.377 1.00 1.00 H new ATOM 0 HG12 ILE A 29 3.770 23.549 9.911 1.00 1.00 H new ATOM 0 HG13 ILE A 29 2.571 22.631 10.800 1.00 1.00 H new ATOM 0 HG21 ILE A 29 1.750 20.446 9.944 1.00 1.00 H new ATOM 0 HG22 ILE A 29 2.412 19.760 8.441 1.00 1.00 H new ATOM 0 HG23 ILE A 29 3.386 19.747 9.931 1.00 1.00 H new ATOM 0 HD11 ILE A 29 4.756 22.576 11.962 1.00 1.00 H new ATOM 0 HD12 ILE A 29 4.300 20.945 11.416 1.00 1.00 H new ATOM 0 HD13 ILE A 29 5.518 21.877 10.513 1.00 1.00 H new ATOM 475 N CYS A 30 3.585 20.819 5.994 1.00 1.00 N ATOM 476 CA CYS A 30 3.385 19.929 4.863 1.00 1.00 C ATOM 477 C CYS A 30 4.744 19.558 4.265 1.00 1.00 C ATOM 478 O CYS A 30 4.956 18.372 3.975 1.00 1.00 O ATOM 479 CB CYS A 30 2.456 20.558 3.823 1.00 1.00 C ATOM 480 SG CYS A 30 2.378 19.674 2.237 1.00 1.00 S ATOM 0 H CYS A 30 3.069 21.697 5.933 1.00 1.00 H new ATOM 0 HA CYS A 30 2.896 19.016 5.204 1.00 1.00 H new ATOM 0 HB2 CYS A 30 1.451 20.615 4.241 1.00 1.00 H new ATOM 0 HB3 CYS A 30 2.782 21.581 3.637 1.00 1.00 H new ATOM 0 HG CYS A 30 1.562 20.292 1.435 1.00 1.00 H new ATOM 486 N GLU A 31 5.621 20.563 4.095 1.00 1.00 N ATOM 487 CA GLU A 31 6.945 20.344 3.536 1.00 1.00 C ATOM 488 C GLU A 31 7.768 19.494 4.507 1.00 1.00 C ATOM 489 O GLU A 31 8.615 18.719 4.039 1.00 1.00 O ATOM 490 CB GLU A 31 7.652 21.665 3.230 1.00 1.00 C ATOM 491 CG GLU A 31 8.974 21.423 2.499 1.00 1.00 C ATOM 492 CD GLU A 31 9.362 22.637 1.652 1.00 1.00 C ATOM 493 OE1 GLU A 31 9.440 23.750 2.298 1.00 1.00 O ATOM 494 OE2 GLU A 31 9.575 22.503 0.438 1.00 1.00 O ATOM 0 H GLU A 31 5.426 21.533 4.341 1.00 1.00 H new ATOM 0 HA GLU A 31 6.842 19.813 2.590 1.00 1.00 H new ATOM 0 HB2 GLU A 31 7.005 22.295 2.620 1.00 1.00 H new ATOM 0 HB3 GLU A 31 7.839 22.205 4.158 1.00 1.00 H new ATOM 0 HG2 GLU A 31 9.761 21.214 3.223 1.00 1.00 H new ATOM 0 HG3 GLU A 31 8.885 20.543 1.861 1.00 1.00 H new ATOM 501 N PHE A 32 7.508 19.653 5.817 1.00 1.00 N ATOM 502 CA PHE A 32 8.220 18.905 6.839 1.00 1.00 C ATOM 503 C PHE A 32 7.845 17.425 6.737 1.00 1.00 C ATOM 504 O PHE A 32 8.748 16.581 6.825 1.00 1.00 O ATOM 505 CB PHE A 32 7.854 19.468 8.226 1.00 1.00 C ATOM 506 CG PHE A 32 7.859 18.440 9.350 1.00 1.00 C ATOM 507 CD1 PHE A 32 9.072 18.093 9.988 1.00 1.00 C ATOM 508 CD2 PHE A 32 6.652 17.831 9.767 1.00 1.00 C ATOM 509 CE1 PHE A 32 9.079 17.144 11.032 1.00 1.00 C ATOM 510 CE2 PHE A 32 6.660 16.882 10.811 1.00 1.00 C ATOM 511 CZ PHE A 32 7.873 16.538 11.444 1.00 1.00 C ATOM 0 H PHE A 32 6.806 20.297 6.182 1.00 1.00 H new ATOM 0 HA PHE A 32 9.296 19.001 6.695 1.00 1.00 H new ATOM 0 HB2 PHE A 32 8.555 20.264 8.477 1.00 1.00 H new ATOM 0 HB3 PHE A 32 6.864 19.921 8.170 1.00 1.00 H new ATOM 0 HD1 PHE A 32 9.996 18.556 9.675 1.00 1.00 H new ATOM 0 HD2 PHE A 32 5.722 18.093 9.285 1.00 1.00 H new ATOM 0 HE1 PHE A 32 10.008 16.881 11.516 1.00 1.00 H new ATOM 0 HE2 PHE A 32 5.737 16.418 11.126 1.00 1.00 H new ATOM 0 HZ PHE A 32 7.879 15.812 12.243 1.00 1.00 H new ATOM 521 N ILE A 33 6.542 17.146 6.557 1.00 1.00 N ATOM 522 CA ILE A 33 6.056 15.781 6.444 1.00 1.00 C ATOM 523 C ILE A 33 6.673 15.125 5.208 1.00 1.00 C ATOM 524 O ILE A 33 7.343 14.092 5.360 1.00 1.00 O ATOM 525 CB ILE A 33 4.526 15.754 6.456 1.00 1.00 C ATOM 526 CG1 ILE A 33 3.976 16.412 7.723 1.00 1.00 C ATOM 527 CG2 ILE A 33 4.001 14.328 6.276 1.00 1.00 C ATOM 528 CD1 ILE A 33 4.535 15.738 8.978 1.00 1.00 C ATOM 0 H ILE A 33 5.814 17.857 6.488 1.00 1.00 H new ATOM 0 HA ILE A 33 6.369 15.193 7.307 1.00 1.00 H new ATOM 0 HB ILE A 33 4.167 16.338 5.608 1.00 1.00 H new ATOM 0 HG12 ILE A 33 4.235 17.471 7.729 1.00 1.00 H new ATOM 0 HG13 ILE A 33 2.888 16.350 7.726 1.00 1.00 H new ATOM 0 HG21 ILE A 33 2.911 14.337 6.288 1.00 1.00 H new ATOM 0 HG22 ILE A 33 4.350 13.929 5.323 1.00 1.00 H new ATOM 0 HG23 ILE A 33 4.368 13.700 7.088 1.00 1.00 H new ATOM 0 HD11 ILE A 33 4.128 16.225 9.864 1.00 1.00 H new ATOM 0 HD12 ILE A 33 4.254 14.685 8.981 1.00 1.00 H new ATOM 0 HD13 ILE A 33 5.622 15.824 8.984 1.00 1.00 H new ATOM 540 N SER A 34 6.440 15.725 4.027 1.00 1.00 N ATOM 541 CA SER A 34 6.969 15.203 2.779 1.00 1.00 C ATOM 542 C SER A 34 8.497 15.166 2.854 1.00 1.00 C ATOM 543 O SER A 34 9.109 14.443 2.054 1.00 1.00 O ATOM 544 CB SER A 34 6.516 16.043 1.583 1.00 1.00 C ATOM 545 OG SER A 34 7.093 17.346 1.597 1.00 1.00 O ATOM 0 H SER A 34 5.885 16.575 3.923 1.00 1.00 H new ATOM 0 HA SER A 34 6.583 14.194 2.635 1.00 1.00 H new ATOM 0 HB2 SER A 34 6.790 15.535 0.658 1.00 1.00 H new ATOM 0 HB3 SER A 34 5.429 16.128 1.590 1.00 1.00 H new ATOM 0 HG SER A 34 7.053 17.731 0.697 1.00 1.00 H new ATOM 551 N ASN A 35 9.073 15.932 3.797 1.00 1.00 N ATOM 552 CA ASN A 35 10.514 15.986 3.972 1.00 1.00 C ATOM 553 C ASN A 35 11.037 14.585 4.292 1.00 1.00 C ATOM 554 O ASN A 35 12.122 14.235 3.804 1.00 1.00 O ATOM 555 CB ASN A 35 10.894 16.909 5.131 1.00 1.00 C ATOM 556 CG ASN A 35 12.115 17.761 4.777 1.00 1.00 C ATOM 557 OD1 ASN A 35 12.839 17.492 3.832 1.00 1.00 O ATOM 558 ND2 ASN A 35 12.302 18.801 5.584 1.00 1.00 N ATOM 0 H ASN A 35 8.550 16.520 4.446 1.00 1.00 H new ATOM 0 HA ASN A 35 10.952 16.367 3.049 1.00 1.00 H new ATOM 0 HB2 ASN A 35 10.052 17.557 5.375 1.00 1.00 H new ATOM 0 HB3 ASN A 35 11.106 16.314 6.019 1.00 1.00 H new ATOM 0 HD21 ASN A 35 13.089 19.431 5.430 1.00 1.00 H new ATOM 0 HD22 ASN A 35 11.658 18.969 6.357 1.00 1.00 H new ATOM 565 N ARG A 36 10.269 13.823 5.092 1.00 1.00 N ATOM 566 CA ARG A 36 10.653 12.474 5.471 1.00 1.00 C ATOM 567 C ARG A 36 9.499 11.517 5.170 1.00 1.00 C ATOM 568 O ARG A 36 9.595 10.340 5.548 1.00 1.00 O ATOM 569 CB ARG A 36 11.006 12.385 6.957 1.00 1.00 C ATOM 570 CG ARG A 36 10.047 13.229 7.800 1.00 1.00 C ATOM 571 CD ARG A 36 10.616 13.471 9.200 1.00 1.00 C ATOM 572 NE ARG A 36 10.142 12.419 10.127 1.00 1.00 N ATOM 573 CZ ARG A 36 10.728 11.210 10.263 1.00 1.00 C ATOM 574 NH1 ARG A 36 11.806 10.924 9.521 1.00 1.00 N ATOM 575 NH2 ARG A 36 10.237 10.310 11.126 1.00 1.00 N ATOM 0 H ARG A 36 9.379 14.130 5.483 1.00 1.00 H new ATOM 0 HA ARG A 36 11.537 12.200 4.895 1.00 1.00 H new ATOM 0 HB2 ARG A 36 10.964 11.346 7.283 1.00 1.00 H new ATOM 0 HB3 ARG A 36 12.029 12.727 7.112 1.00 1.00 H new ATOM 0 HG2 ARG A 36 9.867 14.184 7.306 1.00 1.00 H new ATOM 0 HG3 ARG A 36 9.084 12.724 7.877 1.00 1.00 H new ATOM 0 HD2 ARG A 36 11.705 13.472 9.164 1.00 1.00 H new ATOM 0 HD3 ARG A 36 10.309 14.452 9.562 1.00 1.00 H new ATOM 0 HE ARG A 36 9.322 12.620 10.699 1.00 1.00 H new ATOM 0 HH11 ARG A 36 12.172 11.615 8.866 1.00 1.00 H new ATOM 0 HH12 ARG A 36 12.261 10.016 9.611 1.00 1.00 H new ATOM 0 HH21 ARG A 36 9.415 10.536 11.686 1.00 1.00 H new ATOM 0 HH22 ARG A 36 10.685 9.399 11.223 1.00 1.00 H new ATOM 589 N PHE A 37 8.447 12.030 4.507 1.00 1.00 N ATOM 590 CA PHE A 37 7.288 11.226 4.161 1.00 1.00 C ATOM 591 C PHE A 37 6.782 11.638 2.777 1.00 1.00 C ATOM 592 O PHE A 37 5.637 12.105 2.683 1.00 1.00 O ATOM 593 CB PHE A 37 6.193 11.428 5.226 1.00 1.00 C ATOM 594 CG PHE A 37 6.584 10.984 6.630 1.00 1.00 C ATOM 595 CD1 PHE A 37 6.643 9.609 6.955 1.00 1.00 C ATOM 596 CD2 PHE A 37 6.884 11.949 7.620 1.00 1.00 C ATOM 597 CE1 PHE A 37 7.001 9.202 8.258 1.00 1.00 C ATOM 598 CE2 PHE A 37 7.242 11.541 8.922 1.00 1.00 C ATOM 599 CZ PHE A 37 7.301 10.168 9.241 1.00 1.00 C ATOM 0 H PHE A 37 8.387 13.002 4.205 1.00 1.00 H new ATOM 0 HA PHE A 37 7.557 10.170 4.133 1.00 1.00 H new ATOM 0 HB2 PHE A 37 5.923 12.484 5.255 1.00 1.00 H new ATOM 0 HB3 PHE A 37 5.302 10.879 4.921 1.00 1.00 H new ATOM 0 HD1 PHE A 37 6.413 8.868 6.204 1.00 1.00 H new ATOM 0 HD2 PHE A 37 6.839 13.001 7.378 1.00 1.00 H new ATOM 0 HE1 PHE A 37 7.045 8.151 8.502 1.00 1.00 H new ATOM 0 HE2 PHE A 37 7.471 12.280 9.675 1.00 1.00 H new ATOM 0 HZ PHE A 37 7.576 9.857 10.238 1.00 1.00 H new ATOM 609 N PRO A 38 7.629 11.461 1.748 1.00 1.00 N ATOM 610 CA PRO A 38 7.304 11.800 0.373 1.00 1.00 C ATOM 611 C PRO A 38 6.345 10.774 -0.233 1.00 1.00 C ATOM 612 O PRO A 38 5.352 11.187 -0.850 1.00 1.00 O ATOM 613 CB PRO A 38 8.642 11.859 -0.345 1.00 1.00 C ATOM 614 CG PRO A 38 9.622 11.099 0.536 1.00 1.00 C ATOM 615 CD PRO A 38 8.972 10.907 1.897 1.00 1.00 C ATOM 0 HA PRO A 38 6.779 12.752 0.288 1.00 1.00 H new ATOM 0 HB2 PRO A 38 8.575 11.407 -1.334 1.00 1.00 H new ATOM 0 HB3 PRO A 38 8.964 12.891 -0.487 1.00 1.00 H new ATOM 0 HG2 PRO A 38 9.867 10.135 0.091 1.00 1.00 H new ATOM 0 HG3 PRO A 38 10.556 11.652 0.634 1.00 1.00 H new ATOM 0 HD2 PRO A 38 8.937 9.853 2.174 1.00 1.00 H new ATOM 0 HD3 PRO A 38 9.529 11.424 2.678 1.00 1.00 H new ATOM 623 N TYR A 39 6.655 9.478 -0.048 1.00 1.00 N ATOM 624 CA TYR A 39 5.786 8.453 -0.603 1.00 1.00 C ATOM 625 C TYR A 39 4.473 8.424 0.182 1.00 1.00 C ATOM 626 O TYR A 39 3.478 7.927 -0.366 1.00 1.00 O ATOM 627 CB TYR A 39 6.498 7.088 -0.581 1.00 1.00 C ATOM 628 CG TYR A 39 6.234 6.219 -1.803 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.914 5.816 -2.112 1.00 1.00 C ATOM 630 CD2 TYR A 39 7.301 5.815 -2.638 1.00 1.00 C ATOM 631 CE1 TYR A 39 4.664 5.013 -3.245 1.00 1.00 C ATOM 632 CE2 TYR A 39 7.050 5.012 -3.771 1.00 1.00 C ATOM 633 CZ TYR A 39 5.731 4.609 -4.075 1.00 1.00 C ATOM 634 OH TYR A 39 5.485 3.831 -5.170 1.00 1.00 O ATOM 0 H TYR A 39 7.469 9.136 0.462 1.00 1.00 H new ATOM 0 HA TYR A 39 5.555 8.682 -1.643 1.00 1.00 H new ATOM 0 HB2 TYR A 39 7.572 7.254 -0.494 1.00 1.00 H new ATOM 0 HB3 TYR A 39 6.186 6.544 0.310 1.00 1.00 H new ATOM 0 HD1 TYR A 39 4.095 6.124 -1.479 1.00 1.00 H new ATOM 0 HD2 TYR A 39 8.311 6.122 -2.408 1.00 1.00 H new ATOM 0 HE1 TYR A 39 3.655 4.707 -3.477 1.00 1.00 H new ATOM 0 HE2 TYR A 39 7.868 4.705 -4.406 1.00 1.00 H new ATOM 0 HH TYR A 39 6.328 3.643 -5.634 1.00 1.00 H new ATOM 644 N TYR A 40 4.494 8.937 1.425 1.00 1.00 N ATOM 645 CA TYR A 40 3.278 8.922 2.221 1.00 1.00 C ATOM 646 C TYR A 40 2.261 9.887 1.608 1.00 1.00 C ATOM 647 O TYR A 40 1.106 9.477 1.425 1.00 1.00 O ATOM 648 CB TYR A 40 3.599 9.279 3.684 1.00 1.00 C ATOM 649 CG TYR A 40 2.752 8.543 4.713 1.00 1.00 C ATOM 650 CD1 TYR A 40 1.395 8.894 4.895 1.00 1.00 C ATOM 651 CD2 TYR A 40 3.314 7.502 5.489 1.00 1.00 C ATOM 652 CE1 TYR A 40 0.606 8.213 5.845 1.00 1.00 C ATOM 653 CE2 TYR A 40 2.524 6.820 6.439 1.00 1.00 C ATOM 654 CZ TYR A 40 1.169 7.176 6.619 1.00 1.00 C ATOM 655 OH TYR A 40 0.402 6.519 7.539 1.00 1.00 O ATOM 0 H TYR A 40 5.310 9.349 1.877 1.00 1.00 H new ATOM 0 HA TYR A 40 2.842 7.923 2.219 1.00 1.00 H new ATOM 0 HB2 TYR A 40 4.650 9.063 3.875 1.00 1.00 H new ATOM 0 HB3 TYR A 40 3.464 10.352 3.821 1.00 1.00 H new ATOM 0 HD1 TYR A 40 0.961 9.687 4.304 1.00 1.00 H new ATOM 0 HD2 TYR A 40 4.350 7.229 5.354 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -0.430 8.485 5.980 1.00 1.00 H new ATOM 0 HE2 TYR A 40 2.956 6.025 7.029 1.00 1.00 H new ATOM 0 HH TYR A 40 0.794 6.629 8.430 1.00 1.00 H new ATOM 665 N ARG A 41 2.695 11.127 1.318 1.00 1.00 N ATOM 666 CA ARG A 41 1.819 12.134 0.743 1.00 1.00 C ATOM 667 C ARG A 41 1.553 11.794 -0.725 1.00 1.00 C ATOM 668 O ARG A 41 0.445 12.075 -1.205 1.00 1.00 O ATOM 669 CB ARG A 41 2.433 13.532 0.832 1.00 1.00 C ATOM 670 CG ARG A 41 1.626 14.539 0.009 1.00 1.00 C ATOM 671 CD ARG A 41 1.607 15.911 0.687 1.00 1.00 C ATOM 672 NE ARG A 41 2.912 16.584 0.503 1.00 1.00 N ATOM 673 CZ ARG A 41 3.355 17.065 -0.678 1.00 1.00 C ATOM 674 NH1 ARG A 41 2.581 16.934 -1.764 1.00 1.00 N ATOM 675 NH2 ARG A 41 4.551 17.663 -0.763 1.00 1.00 N ATOM 0 H ARG A 41 3.651 11.445 1.477 1.00 1.00 H new ATOM 0 HA ARG A 41 0.888 12.135 1.310 1.00 1.00 H new ATOM 0 HB2 ARG A 41 2.467 13.852 1.873 1.00 1.00 H new ATOM 0 HB3 ARG A 41 3.462 13.505 0.473 1.00 1.00 H new ATOM 0 HG2 ARG A 41 2.057 14.628 -0.988 1.00 1.00 H new ATOM 0 HG3 ARG A 41 0.606 14.177 -0.116 1.00 1.00 H new ATOM 0 HD2 ARG A 41 0.810 16.523 0.265 1.00 1.00 H new ATOM 0 HD3 ARG A 41 1.393 15.798 1.750 1.00 1.00 H new ATOM 0 HE ARG A 41 3.514 16.691 1.319 1.00 1.00 H new ATOM 0 HH11 ARG A 41 1.672 16.476 -1.690 1.00 1.00 H new ATOM 0 HH12 ARG A 41 2.901 17.292 -2.664 1.00 1.00 H new ATOM 0 HH21 ARG A 41 5.134 17.758 0.068 1.00 1.00 H new ATOM 0 HH22 ARG A 41 4.878 18.024 -1.659 1.00 1.00 H new ATOM 689 N GLU A 42 2.558 11.204 -1.398 1.00 1.00 N ATOM 690 CA GLU A 42 2.433 10.831 -2.797 1.00 1.00 C ATOM 691 C GLU A 42 1.493 9.629 -2.917 1.00 1.00 C ATOM 692 O GLU A 42 1.048 9.339 -4.037 1.00 1.00 O ATOM 693 CB GLU A 42 3.796 10.526 -3.421 1.00 1.00 C ATOM 694 CG GLU A 42 4.318 11.727 -4.212 1.00 1.00 C ATOM 695 CD GLU A 42 5.721 12.121 -3.747 1.00 1.00 C ATOM 696 OE1 GLU A 42 6.615 11.200 -3.871 1.00 1.00 O ATOM 697 OE2 GLU A 42 5.928 13.256 -3.292 1.00 1.00 O ATOM 0 H GLU A 42 3.463 10.980 -0.984 1.00 1.00 H new ATOM 0 HA GLU A 42 2.013 11.673 -3.348 1.00 1.00 H new ATOM 0 HB2 GLU A 42 4.508 10.264 -2.638 1.00 1.00 H new ATOM 0 HB3 GLU A 42 3.713 9.661 -4.079 1.00 1.00 H new ATOM 0 HG2 GLU A 42 4.337 11.486 -5.275 1.00 1.00 H new ATOM 0 HG3 GLU A 42 3.640 12.571 -4.089 1.00 1.00 H new ATOM 704 N LYS A 43 1.215 8.966 -1.781 1.00 1.00 N ATOM 705 CA LYS A 43 0.337 7.808 -1.760 1.00 1.00 C ATOM 706 C LYS A 43 -0.828 8.074 -0.805 1.00 1.00 C ATOM 707 O LYS A 43 -1.568 7.127 -0.500 1.00 1.00 O ATOM 708 CB LYS A 43 1.129 6.542 -1.428 1.00 1.00 C ATOM 709 CG LYS A 43 0.617 5.347 -2.235 1.00 1.00 C ATOM 710 CD LYS A 43 -0.212 4.407 -1.357 1.00 1.00 C ATOM 711 CE LYS A 43 -1.699 4.505 -1.701 1.00 1.00 C ATOM 712 NZ LYS A 43 -2.518 4.400 -0.481 1.00 1.00 N ATOM 0 H LYS A 43 1.592 9.222 -0.869 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.093 7.637 -2.747 1.00 1.00 H new ATOM 0 HB2 LYS A 43 2.186 6.703 -1.641 1.00 1.00 H new ATOM 0 HB3 LYS A 43 1.048 6.327 -0.362 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.011 5.700 -3.069 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.460 4.803 -2.661 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.130 3.381 -1.493 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.061 4.657 -0.307 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -1.901 5.452 -2.202 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -1.970 3.712 -2.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -3.489 4.130 -0.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -2.112 3.678 0.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -2.532 5.318 0.008 1.00 1.00 H new ATOM 726 N PHE A 44 -0.965 9.335 -0.358 1.00 1.00 N ATOM 727 CA PHE A 44 -2.030 9.718 0.553 1.00 1.00 C ATOM 728 C PHE A 44 -1.930 11.216 0.847 1.00 1.00 C ATOM 729 O PHE A 44 -1.670 11.573 2.006 1.00 1.00 O ATOM 730 CB PHE A 44 -1.907 8.896 1.851 1.00 1.00 C ATOM 731 CG PHE A 44 -3.104 9.004 2.787 1.00 1.00 C ATOM 732 CD1 PHE A 44 -4.404 9.178 2.257 1.00 1.00 C ATOM 733 CD2 PHE A 44 -2.926 8.924 4.187 1.00 1.00 C ATOM 734 CE1 PHE A 44 -5.515 9.274 3.121 1.00 1.00 C ATOM 735 CE2 PHE A 44 -4.038 9.020 5.051 1.00 1.00 C ATOM 736 CZ PHE A 44 -5.332 9.195 4.518 1.00 1.00 C ATOM 0 H PHE A 44 -0.344 10.100 -0.621 1.00 1.00 H new ATOM 0 HA PHE A 44 -3.002 9.516 0.102 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -1.761 7.848 1.589 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -1.014 9.218 2.386 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -4.546 9.238 1.188 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -1.936 8.789 4.597 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -6.506 9.408 2.713 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.898 8.959 6.120 1.00 1.00 H new ATOM 0 HZ PHE A 44 -6.183 9.269 5.179 1.00 1.00 H new ATOM 746 N PRO A 45 -2.135 12.048 -0.189 1.00 1.00 N ATOM 747 CA PRO A 45 -2.077 13.496 -0.079 1.00 1.00 C ATOM 748 C PRO A 45 -3.325 14.044 0.615 1.00 1.00 C ATOM 749 O PRO A 45 -3.285 15.192 1.080 1.00 1.00 O ATOM 750 CB PRO A 45 -1.925 13.993 -1.508 1.00 1.00 C ATOM 751 CG PRO A 45 -2.369 12.844 -2.398 1.00 1.00 C ATOM 752 CD PRO A 45 -2.440 11.590 -1.542 1.00 1.00 C ATOM 0 HA PRO A 45 -1.246 13.838 0.538 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -2.536 14.879 -1.680 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -0.892 14.272 -1.717 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.341 13.059 -2.841 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -1.667 12.705 -3.220 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -3.428 11.132 -1.592 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.723 10.840 -1.877 1.00 1.00 H new ATOM 760 N ALA A 46 -4.391 13.226 0.670 1.00 1.00 N ATOM 761 CA ALA A 46 -5.637 13.626 1.302 1.00 1.00 C ATOM 762 C ALA A 46 -5.409 13.801 2.805 1.00 1.00 C ATOM 763 O ALA A 46 -6.247 14.438 3.459 1.00 1.00 O ATOM 764 CB ALA A 46 -6.673 12.510 1.152 1.00 1.00 C ATOM 0 H ALA A 46 -4.403 12.284 0.280 1.00 1.00 H new ATOM 0 HA ALA A 46 -5.979 14.550 0.836 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -7.606 12.813 1.627 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -6.850 12.318 0.094 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -6.302 11.603 1.628 1.00 1.00 H new ATOM 770 N TRP A 47 -4.297 13.241 3.314 1.00 1.00 N ATOM 771 CA TRP A 47 -3.965 13.334 4.725 1.00 1.00 C ATOM 772 C TRP A 47 -3.336 14.700 5.008 1.00 1.00 C ATOM 773 O TRP A 47 -3.007 14.968 6.172 1.00 1.00 O ATOM 774 CB TRP A 47 -3.066 12.166 5.137 1.00 1.00 C ATOM 775 CG TRP A 47 -1.591 12.361 4.782 1.00 1.00 C ATOM 776 CD1 TRP A 47 -1.074 13.024 3.739 1.00 1.00 C ATOM 777 CD2 TRP A 47 -0.456 11.858 5.519 1.00 1.00 C ATOM 778 NE1 TRP A 47 0.306 12.986 3.749 1.00 1.00 N ATOM 779 CE2 TRP A 47 0.693 12.254 4.865 1.00 1.00 C ATOM 780 CE3 TRP A 47 -0.403 11.094 6.698 1.00 1.00 C ATOM 781 CZ2 TRP A 47 1.980 11.933 5.315 1.00 1.00 C ATOM 782 CZ3 TRP A 47 0.891 10.782 7.134 1.00 1.00 C ATOM 783 CH2 TRP A 47 2.057 11.173 6.488 1.00 1.00 C ATOM 0 H TRP A 47 -3.619 12.720 2.758 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.868 13.257 5.331 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -3.153 12.016 6.213 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -3.427 11.256 4.658 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -1.663 13.525 2.985 1.00 1.00 H new ATOM 0 HE1 TRP A 47 0.927 13.416 3.064 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -1.289 10.773 7.225 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 2.865 12.254 4.786 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 0.989 10.196 8.036 1.00 1.00 H new ATOM 0 HH2 TRP A 47 3.019 10.892 6.889 1.00 1.00 H new ATOM 794 N GLN A 48 -3.186 15.523 3.954 1.00 1.00 N ATOM 795 CA GLN A 48 -2.602 16.847 4.089 1.00 1.00 C ATOM 796 C GLN A 48 -3.455 17.680 5.048 1.00 1.00 C ATOM 797 O GLN A 48 -2.878 18.398 5.878 1.00 1.00 O ATOM 798 CB GLN A 48 -2.466 17.541 2.732 1.00 1.00 C ATOM 799 CG GLN A 48 -2.157 19.030 2.907 1.00 1.00 C ATOM 800 CD GLN A 48 -2.211 19.762 1.564 1.00 1.00 C ATOM 801 OE1 GLN A 48 -2.093 19.174 0.502 1.00 1.00 O ATOM 802 NE2 GLN A 48 -2.396 21.075 1.671 1.00 1.00 N ATOM 0 H GLN A 48 -3.465 15.283 3.003 1.00 1.00 H new ATOM 0 HA GLN A 48 -1.596 16.747 4.497 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -1.673 17.067 2.155 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.389 17.421 2.164 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.874 19.475 3.597 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -1.169 19.150 3.352 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -2.487 21.504 2.592 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -2.447 21.653 0.832 1.00 1.00 H new ATOM 811 N ASN A 49 -4.789 17.570 4.918 1.00 1.00 N ATOM 812 CA ASN A 49 -5.709 18.308 5.768 1.00 1.00 C ATOM 813 C ASN A 49 -5.845 17.588 7.110 1.00 1.00 C ATOM 814 O ASN A 49 -5.914 18.272 8.142 1.00 1.00 O ATOM 815 CB ASN A 49 -7.098 18.392 5.133 1.00 1.00 C ATOM 816 CG ASN A 49 -8.087 19.092 6.067 1.00 1.00 C ATOM 817 OD1 ASN A 49 -8.196 20.307 6.100 1.00 1.00 O ATOM 818 ND2 ASN A 49 -8.799 18.261 6.823 1.00 1.00 N ATOM 0 H ASN A 49 -5.244 16.973 4.228 1.00 1.00 H new ATOM 0 HA ASN A 49 -5.312 19.314 5.901 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -7.038 18.934 4.189 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -7.458 17.389 4.903 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -9.486 18.631 7.480 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -8.658 17.254 6.746 1.00 1.00 H new ATOM 825 N SER A 50 -5.882 16.244 7.072 1.00 1.00 N ATOM 826 CA SER A 50 -6.009 15.442 8.277 1.00 1.00 C ATOM 827 C SER A 50 -4.874 15.794 9.241 1.00 1.00 C ATOM 828 O SER A 50 -5.158 16.037 10.423 1.00 1.00 O ATOM 829 CB SER A 50 -5.990 13.946 7.959 1.00 1.00 C ATOM 830 OG SER A 50 -4.732 13.526 7.438 1.00 1.00 O ATOM 0 H SER A 50 -5.825 15.700 6.211 1.00 1.00 H new ATOM 0 HA SER A 50 -6.969 15.666 8.742 1.00 1.00 H new ATOM 0 HB2 SER A 50 -6.215 13.380 8.863 1.00 1.00 H new ATOM 0 HB3 SER A 50 -6.775 13.719 7.238 1.00 1.00 H new ATOM 0 HG SER A 50 -4.621 12.564 7.587 1.00 1.00 H new ATOM 836 N ILE A 51 -3.631 15.814 8.726 1.00 1.00 N ATOM 837 CA ILE A 51 -2.468 16.133 9.536 1.00 1.00 C ATOM 838 C ILE A 51 -2.718 17.443 10.286 1.00 1.00 C ATOM 839 O ILE A 51 -2.186 17.598 11.395 1.00 1.00 O ATOM 840 CB ILE A 51 -1.204 16.151 8.674 1.00 1.00 C ATOM 841 CG1 ILE A 51 -0.833 14.739 8.216 1.00 1.00 C ATOM 842 CG2 ILE A 51 -0.050 16.838 9.406 1.00 1.00 C ATOM 843 CD1 ILE A 51 0.285 14.777 7.172 1.00 1.00 C ATOM 0 H ILE A 51 -3.418 15.611 7.749 1.00 1.00 H new ATOM 0 HA ILE A 51 -2.304 15.361 10.287 1.00 1.00 H new ATOM 0 HB ILE A 51 -1.410 16.737 7.778 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.514 14.147 9.074 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -1.710 14.247 7.797 1.00 1.00 H new ATOM 0 HG21 ILE A 51 0.836 16.837 8.771 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -0.328 17.866 9.640 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.165 16.302 10.330 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.529 13.761 6.864 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -0.046 15.350 6.305 1.00 1.00 H new ATOM 0 HD13 ILE A 51 1.169 15.248 7.602 1.00 1.00 H new ATOM 855 N ARG A 52 -3.510 18.344 9.678 1.00 1.00 N ATOM 856 CA ARG A 52 -3.826 19.626 10.285 1.00 1.00 C ATOM 857 C ARG A 52 -4.938 19.436 11.319 1.00 1.00 C ATOM 858 O ARG A 52 -4.886 20.093 12.368 1.00 1.00 O ATOM 859 CB ARG A 52 -4.278 20.648 9.241 1.00 1.00 C ATOM 860 CG ARG A 52 -3.080 21.236 8.494 1.00 1.00 C ATOM 861 CD ARG A 52 -3.451 21.585 7.051 1.00 1.00 C ATOM 862 NE ARG A 52 -3.951 22.976 6.979 1.00 1.00 N ATOM 863 CZ ARG A 52 -4.028 23.695 5.839 1.00 1.00 C ATOM 864 NH1 ARG A 52 -3.632 23.133 4.689 1.00 1.00 N ATOM 865 NH2 ARG A 52 -4.494 24.951 5.858 1.00 1.00 N ATOM 0 H ARG A 52 -3.939 18.197 8.764 1.00 1.00 H new ATOM 0 HA ARG A 52 -2.922 20.006 10.762 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -4.956 20.173 8.532 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -4.836 21.448 9.728 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -2.729 22.130 9.009 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -2.257 20.521 8.499 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -2.581 21.469 6.405 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -4.213 20.897 6.686 1.00 1.00 H new ATOM 0 HE ARG A 52 -4.257 23.419 7.845 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -3.279 22.176 4.684 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -3.684 23.662 3.819 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -4.794 25.371 6.738 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -4.549 25.488 4.992 1.00 1.00 H new ATOM 879 N HIS A 53 -5.906 18.556 11.007 1.00 1.00 N ATOM 880 CA HIS A 53 -7.018 18.285 11.902 1.00 1.00 C ATOM 881 C HIS A 53 -6.479 17.747 13.229 1.00 1.00 C ATOM 882 O HIS A 53 -6.705 18.393 14.262 1.00 1.00 O ATOM 883 CB HIS A 53 -8.030 17.343 11.248 1.00 1.00 C ATOM 884 CG HIS A 53 -9.374 17.977 10.978 1.00 1.00 C ATOM 885 ND1 HIS A 53 -9.575 18.909 9.975 1.00 1.00 N ATOM 886 CD2 HIS A 53 -10.581 17.802 11.590 1.00 1.00 C ATOM 887 CE1 HIS A 53 -10.849 19.273 9.992 1.00 1.00 C ATOM 888 NE2 HIS A 53 -11.470 18.587 10.994 1.00 1.00 N ATOM 0 H HIS A 53 -5.930 18.025 10.137 1.00 1.00 H new ATOM 0 HA HIS A 53 -7.557 19.209 12.111 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -7.616 16.978 10.308 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -8.172 16.475 11.892 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -10.779 17.138 12.418 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -11.314 19.987 9.329 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -12.456 18.665 11.244 1.00 1.00 H new ATOM 896 N ASN A 54 -5.789 16.594 13.176 1.00 1.00 N ATOM 897 CA ASN A 54 -5.225 15.978 14.365 1.00 1.00 C ATOM 898 C ASN A 54 -4.190 16.922 14.981 1.00 1.00 C ATOM 899 O ASN A 54 -3.958 16.831 16.196 1.00 1.00 O ATOM 900 CB ASN A 54 -4.522 14.663 14.024 1.00 1.00 C ATOM 901 CG ASN A 54 -3.008 14.861 13.923 1.00 1.00 C ATOM 902 OD1 ASN A 54 -2.473 15.240 12.894 1.00 1.00 O ATOM 903 ND2 ASN A 54 -2.350 14.584 15.045 1.00 1.00 N ATOM 0 H ASN A 54 -5.614 16.077 12.314 1.00 1.00 H new ATOM 0 HA ASN A 54 -6.040 15.781 15.061 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -4.745 13.918 14.788 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -4.906 14.276 13.080 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -1.336 14.685 15.079 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -2.860 14.271 15.871 1.00 1.00 H new ATOM 910 N LEU A 55 -3.599 17.795 14.146 1.00 1.00 N ATOM 911 CA LEU A 55 -2.600 18.744 14.605 1.00 1.00 C ATOM 912 C LEU A 55 -3.203 19.621 15.704 1.00 1.00 C ATOM 913 O LEU A 55 -2.602 19.708 16.785 1.00 1.00 O ATOM 914 CB LEU A 55 -2.033 19.538 13.427 1.00 1.00 C ATOM 915 CG LEU A 55 -0.566 19.275 13.084 1.00 1.00 C ATOM 916 CD1 LEU A 55 -0.184 19.941 11.760 1.00 1.00 C ATOM 917 CD2 LEU A 55 0.351 19.710 14.229 1.00 1.00 C ATOM 0 H LEU A 55 -3.805 17.854 13.149 1.00 1.00 H new ATOM 0 HA LEU A 55 -1.751 18.220 15.044 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -2.636 19.322 12.545 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -2.151 20.600 13.641 1.00 1.00 H new ATOM 0 HG LEU A 55 -0.433 18.201 12.954 1.00 1.00 H new ATOM 0 HD11 LEU A 55 0.864 19.738 11.540 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -0.807 19.542 10.959 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.337 21.017 11.837 1.00 1.00 H new ATOM 0 HD21 LEU A 55 1.388 19.512 13.960 1.00 1.00 H new ATOM 0 HD22 LEU A 55 0.221 20.776 14.414 1.00 1.00 H new ATOM 0 HD23 LEU A 55 0.097 19.152 15.130 1.00 1.00 H new ATOM 929 N SER A 56 -4.359 20.243 15.412 1.00 1.00 N ATOM 930 CA SER A 56 -5.034 21.103 16.369 1.00 1.00 C ATOM 931 C SER A 56 -5.853 20.243 17.333 1.00 1.00 C ATOM 932 O SER A 56 -6.223 20.747 18.404 1.00 1.00 O ATOM 933 CB SER A 56 -5.937 22.121 15.668 1.00 1.00 C ATOM 934 OG SER A 56 -6.961 22.609 16.530 1.00 1.00 O ATOM 0 H SER A 56 -4.837 20.158 14.515 1.00 1.00 H new ATOM 0 HA SER A 56 -4.280 21.661 16.924 1.00 1.00 H new ATOM 0 HB2 SER A 56 -5.334 22.956 15.313 1.00 1.00 H new ATOM 0 HB3 SER A 56 -6.391 21.660 14.791 1.00 1.00 H new ATOM 0 HG SER A 56 -7.515 23.257 16.046 1.00 1.00 H new ATOM 940 N LEU A 57 -6.115 18.983 16.942 1.00 1.00 N ATOM 941 CA LEU A 57 -6.882 18.065 17.766 1.00 1.00 C ATOM 942 C LEU A 57 -5.968 17.456 18.831 1.00 1.00 C ATOM 943 O LEU A 57 -6.487 16.826 19.764 1.00 1.00 O ATOM 944 CB LEU A 57 -7.588 17.024 16.894 1.00 1.00 C ATOM 945 CG LEU A 57 -9.113 17.128 16.826 1.00 1.00 C ATOM 946 CD1 LEU A 57 -9.543 18.409 16.109 1.00 1.00 C ATOM 947 CD2 LEU A 57 -9.720 15.880 16.184 1.00 1.00 C ATOM 0 H LEU A 57 -5.801 18.588 16.056 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.674 18.597 18.292 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -7.193 17.100 15.881 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -7.328 16.032 17.264 1.00 1.00 H new ATOM 0 HG LEU A 57 -9.497 17.184 17.844 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -10.631 18.459 16.074 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -9.157 19.274 16.648 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -9.147 18.408 15.093 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -10.805 15.980 16.148 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -9.332 15.767 15.172 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -9.456 15.002 16.774 1.00 1.00 H new ATOM 959 N ASN A 58 -4.646 17.653 18.674 1.00 1.00 N ATOM 960 CA ASN A 58 -3.672 17.127 19.615 1.00 1.00 C ATOM 961 C ASN A 58 -3.259 18.235 20.586 1.00 1.00 C ATOM 962 O ASN A 58 -3.838 18.307 21.680 1.00 1.00 O ATOM 963 CB ASN A 58 -2.415 16.639 18.892 1.00 1.00 C ATOM 964 CG ASN A 58 -2.494 15.138 18.609 1.00 1.00 C ATOM 965 OD1 ASN A 58 -1.607 14.369 18.942 1.00 1.00 O ATOM 966 ND2 ASN A 58 -3.603 14.764 17.976 1.00 1.00 N ATOM 0 H ASN A 58 -4.239 18.176 17.898 1.00 1.00 H new ATOM 0 HA ASN A 58 -4.131 16.291 20.144 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -2.295 17.184 17.955 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -1.536 16.852 19.500 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -3.750 13.782 17.741 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -4.306 15.459 17.726 1.00 1.00 H new ATOM 973 N ASP A 59 -2.282 19.063 20.175 1.00 1.00 N ATOM 974 CA ASP A 59 -1.798 20.155 21.003 1.00 1.00 C ATOM 975 C ASP A 59 -2.974 21.051 21.396 1.00 1.00 C ATOM 976 O ASP A 59 -3.148 21.302 22.597 1.00 1.00 O ATOM 977 CB ASP A 59 -0.783 21.013 20.245 1.00 1.00 C ATOM 978 CG ASP A 59 0.472 20.271 19.780 1.00 1.00 C ATOM 979 OD1 ASP A 59 0.252 19.228 19.053 1.00 1.00 O ATOM 980 OD2 ASP A 59 1.603 20.669 20.096 1.00 1.00 O ATOM 0 H ASP A 59 -1.818 18.987 19.270 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.321 19.725 21.883 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -1.275 21.446 19.374 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -0.481 21.842 20.885 1.00 1.00 H new ATOM 985 N CYS A 60 -3.746 21.506 20.393 1.00 1.00 N ATOM 986 CA CYS A 60 -4.893 22.365 20.633 1.00 1.00 C ATOM 987 C CYS A 60 -4.475 23.827 20.464 1.00 1.00 C ATOM 988 O CYS A 60 -4.964 24.672 21.227 1.00 1.00 O ATOM 989 CB CYS A 60 -5.501 22.101 22.012 1.00 1.00 C ATOM 990 SG CYS A 60 -7.305 22.299 22.101 1.00 1.00 S ATOM 0 H CYS A 60 -3.586 21.286 19.410 1.00 1.00 H new ATOM 0 HA CYS A 60 -5.670 22.141 19.902 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -5.246 21.086 22.318 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -5.040 22.777 22.732 1.00 1.00 H new ATOM 0 HG CYS A 60 -7.710 22.050 23.311 1.00 1.00 H new ATOM 996 N PHE A 61 -3.593 24.091 19.483 1.00 1.00 N ATOM 997 CA PHE A 61 -3.116 25.438 19.219 1.00 1.00 C ATOM 998 C PHE A 61 -4.109 26.155 18.302 1.00 1.00 C ATOM 999 O PHE A 61 -5.149 25.562 17.981 1.00 1.00 O ATOM 1000 CB PHE A 61 -1.722 25.364 18.565 1.00 1.00 C ATOM 1001 CG PHE A 61 -1.404 24.032 17.898 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -2.285 23.487 16.935 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -0.226 23.331 18.243 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -1.989 22.250 16.323 1.00 1.00 C ATOM 1005 CE2 PHE A 61 0.070 22.095 17.630 1.00 1.00 C ATOM 1006 CZ PHE A 61 -0.811 21.555 16.669 1.00 1.00 C ATOM 0 H PHE A 61 -3.202 23.380 18.865 1.00 1.00 H new ATOM 0 HA PHE A 61 -3.035 25.998 20.151 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -1.642 26.156 17.821 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -0.967 25.564 19.326 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -3.186 24.019 16.667 1.00 1.00 H new ATOM 0 HD2 PHE A 61 0.450 23.743 18.978 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -2.665 21.835 15.590 1.00 1.00 H new ATOM 0 HE2 PHE A 61 0.971 21.562 17.896 1.00 1.00 H new ATOM 0 HZ PHE A 61 -0.584 20.610 16.198 1.00 1.00 H new ATOM 1016 N VAL A 62 -3.774 27.396 17.906 1.00 1.00 N ATOM 1017 CA VAL A 62 -4.630 28.183 17.035 1.00 1.00 C ATOM 1018 C VAL A 62 -3.876 28.508 15.744 1.00 1.00 C ATOM 1019 O VAL A 62 -2.758 29.037 15.831 1.00 1.00 O ATOM 1020 CB VAL A 62 -5.120 29.432 17.771 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -6.382 29.130 18.582 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -4.019 30.009 18.664 1.00 1.00 C ATOM 0 H VAL A 62 -2.912 27.866 18.182 1.00 1.00 H new ATOM 0 HA VAL A 62 -5.518 27.615 16.759 1.00 1.00 H new ATOM 0 HB VAL A 62 -5.374 30.184 17.024 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -6.710 30.034 19.095 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -7.171 28.787 17.913 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -6.166 28.354 19.316 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -4.393 30.896 19.176 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -3.720 29.264 19.401 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -3.158 30.279 18.052 1.00 1.00 H new ATOM 1032 N LYS A 63 -4.491 28.191 14.590 1.00 1.00 N ATOM 1033 CA LYS A 63 -3.882 28.447 13.297 1.00 1.00 C ATOM 1034 C LYS A 63 -4.561 29.654 12.648 1.00 1.00 C ATOM 1035 O LYS A 63 -5.784 29.793 12.795 1.00 1.00 O ATOM 1036 CB LYS A 63 -3.912 27.186 12.431 1.00 1.00 C ATOM 1037 CG LYS A 63 -5.332 26.885 11.950 1.00 1.00 C ATOM 1038 CD LYS A 63 -5.940 25.718 12.731 1.00 1.00 C ATOM 1039 CE LYS A 63 -6.277 24.551 11.800 1.00 1.00 C ATOM 1040 NZ LYS A 63 -7.264 23.658 12.428 1.00 1.00 N ATOM 0 H LYS A 63 -5.412 27.756 14.540 1.00 1.00 H new ATOM 0 HA LYS A 63 -2.828 28.699 13.416 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -3.253 27.315 11.572 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -3.530 26.339 13.002 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -5.956 27.771 12.069 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -5.317 26.647 10.886 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -5.241 25.386 13.498 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -6.842 26.050 13.245 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -6.671 24.932 10.858 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -5.371 23.993 11.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -7.481 22.872 11.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -6.875 23.280 13.315 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -8.134 24.190 12.630 1.00 1.00 H new ATOM 1054 N ILE A 64 -3.769 30.491 11.953 1.00 1.00 N ATOM 1055 CA ILE A 64 -4.291 31.673 11.290 1.00 1.00 C ATOM 1056 C ILE A 64 -3.883 31.647 9.815 1.00 1.00 C ATOM 1057 O ILE A 64 -3.038 32.464 9.423 1.00 1.00 O ATOM 1058 CB ILE A 64 -3.850 32.939 12.027 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -2.332 32.964 12.216 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -4.595 33.088 13.355 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -1.716 34.190 11.539 1.00 1.00 C ATOM 0 H ILE A 64 -2.764 30.359 11.843 1.00 1.00 H new ATOM 0 HA ILE A 64 -5.381 31.677 11.320 1.00 1.00 H new ATOM 0 HB ILE A 64 -4.112 33.800 11.412 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -2.094 32.974 13.280 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.895 32.056 11.800 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -4.263 33.996 13.859 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -5.667 33.149 13.166 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -4.387 32.225 13.988 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -0.636 34.184 11.688 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -1.935 34.165 10.472 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.137 35.096 11.974 1.00 1.00 H new ATOM 1073 N PRO A 65 -4.483 30.725 9.041 1.00 1.00 N ATOM 1074 CA PRO A 65 -4.209 30.568 7.623 1.00 1.00 C ATOM 1075 C PRO A 65 -4.867 31.685 6.811 1.00 1.00 C ATOM 1076 O PRO A 65 -5.430 31.388 5.747 1.00 1.00 O ATOM 1077 CB PRO A 65 -4.738 29.187 7.271 1.00 1.00 C ATOM 1078 CG PRO A 65 -5.700 28.812 8.387 1.00 1.00 C ATOM 1079 CD PRO A 65 -5.476 29.777 9.539 1.00 1.00 C ATOM 0 HA PRO A 65 -3.147 30.645 7.388 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -5.244 29.197 6.306 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -3.925 28.465 7.197 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -6.731 28.868 8.037 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -5.528 27.785 8.710 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -6.401 30.282 9.818 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -5.117 29.257 10.427 1.00 1.00 H new ATOM 1087 N ARG A 66 -4.785 32.928 7.319 1.00 1.00 N ATOM 1088 CA ARG A 66 -5.368 34.075 6.645 1.00 1.00 C ATOM 1089 C ARG A 66 -5.219 35.313 7.533 1.00 1.00 C ATOM 1090 O ARG A 66 -6.240 35.805 8.034 1.00 1.00 O ATOM 1091 CB ARG A 66 -6.850 33.854 6.336 1.00 1.00 C ATOM 1092 CG ARG A 66 -7.306 34.742 5.176 1.00 1.00 C ATOM 1093 CD ARG A 66 -8.741 35.228 5.390 1.00 1.00 C ATOM 1094 NE ARG A 66 -8.888 36.611 4.885 1.00 1.00 N ATOM 1095 CZ ARG A 66 -9.929 37.419 5.180 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -10.901 36.960 5.980 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -9.989 38.661 4.682 1.00 1.00 N ATOM 0 H ARG A 66 -4.317 33.152 8.197 1.00 1.00 H new ATOM 0 HA ARG A 66 -4.841 34.216 5.701 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -7.021 32.807 6.086 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -7.446 34.072 7.222 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -6.638 35.598 5.084 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -7.242 34.186 4.241 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -9.438 34.568 4.874 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -8.992 35.191 6.450 1.00 1.00 H new ATOM 0 HE ARG A 66 -8.157 36.977 4.275 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -10.847 36.013 6.356 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -11.694 37.557 6.213 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -9.245 39.003 4.075 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -10.779 39.264 4.910 1.00 1.00 H new ATOM 1111 N GLU A 67 -3.970 35.782 7.707 1.00 1.00 N ATOM 1112 CA GLU A 67 -3.694 36.950 8.526 1.00 1.00 C ATOM 1113 C GLU A 67 -3.260 38.108 7.625 1.00 1.00 C ATOM 1114 O GLU A 67 -2.217 37.985 6.966 1.00 1.00 O ATOM 1115 CB GLU A 67 -2.632 36.653 9.587 1.00 1.00 C ATOM 1116 CG GLU A 67 -2.270 37.918 10.368 1.00 1.00 C ATOM 1117 CD GLU A 67 -1.856 37.577 11.801 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -0.810 36.828 11.903 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -2.513 38.014 12.757 1.00 1.00 O ATOM 0 H GLU A 67 -3.142 35.361 7.285 1.00 1.00 H new ATOM 0 HA GLU A 67 -4.604 37.229 9.057 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -3.001 35.891 10.273 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -1.740 36.248 9.110 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.456 38.440 9.865 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -3.123 38.597 10.384 1.00 1.00 H new ATOM 1126 N PRO A 68 -4.056 39.193 7.614 1.00 1.00 N ATOM 1127 CA PRO A 68 -3.787 40.376 6.815 1.00 1.00 C ATOM 1128 C PRO A 68 -2.656 41.205 7.426 1.00 1.00 C ATOM 1129 O PRO A 68 -2.625 42.423 7.193 1.00 1.00 O ATOM 1130 CB PRO A 68 -5.110 41.124 6.762 1.00 1.00 C ATOM 1131 CG PRO A 68 -5.943 40.578 7.911 1.00 1.00 C ATOM 1132 CD PRO A 68 -5.279 39.303 8.404 1.00 1.00 C ATOM 0 HA PRO A 68 -3.440 40.135 5.810 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -4.956 42.198 6.867 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -5.610 40.965 5.807 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -6.009 41.310 8.716 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -6.962 40.375 7.581 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -5.058 39.358 9.470 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -5.925 38.437 8.257 1.00 1.00 H new ATOM 1140 N GLY A 69 -1.764 40.542 8.183 1.00 1.00 N ATOM 1141 CA GLY A 69 -0.643 41.213 8.819 1.00 1.00 C ATOM 1142 C GLY A 69 0.494 40.210 9.028 1.00 1.00 C ATOM 1143 O GLY A 69 1.204 40.327 10.038 1.00 1.00 O ATOM 0 H GLY A 69 -1.808 39.539 8.363 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -0.302 42.043 8.200 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -0.952 41.635 9.775 1.00 1.00 H new ATOM 1147 N ASN A 70 0.641 39.261 8.087 1.00 1.00 N ATOM 1148 CA ASN A 70 1.682 38.251 8.168 1.00 1.00 C ATOM 1149 C ASN A 70 2.468 38.227 6.855 1.00 1.00 C ATOM 1150 O ASN A 70 2.403 37.212 6.147 1.00 1.00 O ATOM 1151 CB ASN A 70 1.083 36.860 8.385 1.00 1.00 C ATOM 1152 CG ASN A 70 2.171 35.845 8.744 1.00 1.00 C ATOM 1153 OD1 ASN A 70 3.326 35.978 8.376 1.00 1.00 O ATOM 1154 ND2 ASN A 70 1.737 34.826 9.480 1.00 1.00 N ATOM 0 H ASN A 70 0.044 39.182 7.264 1.00 1.00 H new ATOM 0 HA ASN A 70 2.329 38.501 9.008 1.00 1.00 H new ATOM 0 HB2 ASN A 70 0.341 36.900 9.182 1.00 1.00 H new ATOM 0 HB3 ASN A 70 0.564 36.538 7.482 1.00 1.00 H new ATOM 0 HD21 ASN A 70 2.385 34.094 9.771 1.00 1.00 H new ATOM 0 HD22 ASN A 70 0.756 34.776 9.754 1.00 1.00 H new ATOM 1161 N PRO A 71 3.183 39.328 6.562 1.00 1.00 N ATOM 1162 CA PRO A 71 3.983 39.467 5.357 1.00 1.00 C ATOM 1163 C PRO A 71 5.272 38.650 5.457 1.00 1.00 C ATOM 1164 O PRO A 71 6.356 39.248 5.394 1.00 1.00 O ATOM 1165 CB PRO A 71 4.235 40.960 5.222 1.00 1.00 C ATOM 1166 CG PRO A 71 3.967 41.554 6.596 1.00 1.00 C ATOM 1167 CD PRO A 71 3.236 40.507 7.421 1.00 1.00 C ATOM 0 HA PRO A 71 3.480 39.080 4.471 1.00 1.00 H new ATOM 0 HB2 PRO A 71 5.259 41.156 4.905 1.00 1.00 H new ATOM 0 HB3 PRO A 71 3.579 41.401 4.471 1.00 1.00 H new ATOM 0 HG2 PRO A 71 4.902 41.836 7.079 1.00 1.00 H new ATOM 0 HG3 PRO A 71 3.367 42.460 6.510 1.00 1.00 H new ATOM 0 HD2 PRO A 71 3.764 40.296 8.351 1.00 1.00 H new ATOM 0 HD3 PRO A 71 2.236 40.844 7.692 1.00 1.00 H new ATOM 1175 N GLY A 72 5.132 37.321 5.609 1.00 1.00 N ATOM 1176 CA GLY A 72 6.278 36.433 5.717 1.00 1.00 C ATOM 1177 C GLY A 72 6.192 35.363 4.627 1.00 1.00 C ATOM 1178 O GLY A 72 6.799 35.556 3.562 1.00 1.00 O ATOM 0 H GLY A 72 4.230 36.848 5.659 1.00 1.00 H new ATOM 0 HA2 GLY A 72 7.203 37.000 5.614 1.00 1.00 H new ATOM 0 HA3 GLY A 72 6.299 35.965 6.701 1.00 1.00 H new ATOM 1182 N LYS A 73 5.454 34.275 4.907 1.00 1.00 N ATOM 1183 CA LYS A 73 5.293 33.187 3.958 1.00 1.00 C ATOM 1184 C LYS A 73 3.853 32.672 4.017 1.00 1.00 C ATOM 1185 O LYS A 73 3.190 32.653 2.970 1.00 1.00 O ATOM 1186 CB LYS A 73 6.344 32.103 4.202 1.00 1.00 C ATOM 1187 CG LYS A 73 6.733 31.411 2.894 1.00 1.00 C ATOM 1188 CD LYS A 73 7.864 30.405 3.120 1.00 1.00 C ATOM 1189 CE LYS A 73 7.307 29.015 3.431 1.00 1.00 C ATOM 1190 NZ LYS A 73 6.761 28.394 2.213 1.00 1.00 N ATOM 0 H LYS A 73 4.962 34.136 5.790 1.00 1.00 H new ATOM 0 HA LYS A 73 5.464 33.541 2.941 1.00 1.00 H new ATOM 0 HB2 LYS A 73 7.228 32.546 4.660 1.00 1.00 H new ATOM 0 HB3 LYS A 73 5.955 31.367 4.905 1.00 1.00 H new ATOM 0 HG2 LYS A 73 5.865 30.900 2.477 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.046 32.157 2.163 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.496 30.357 2.233 1.00 1.00 H new ATOM 0 HD3 LYS A 73 8.495 30.740 3.943 1.00 1.00 H new ATOM 0 HE2 LYS A 73 8.094 28.386 3.846 1.00 1.00 H new ATOM 0 HE3 LYS A 73 6.527 29.090 4.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 6.064 27.668 2.476 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 6.301 29.121 1.629 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 7.532 27.953 1.672 1.00 1.00 H new ATOM 1204 N GLY A 74 3.406 32.272 5.221 1.00 1.00 N ATOM 1205 CA GLY A 74 2.059 31.762 5.411 1.00 1.00 C ATOM 1206 C GLY A 74 1.518 32.253 6.756 1.00 1.00 C ATOM 1207 O GLY A 74 1.348 33.471 6.914 1.00 1.00 O ATOM 0 H GLY A 74 3.968 32.297 6.072 1.00 1.00 H new ATOM 0 HA2 GLY A 74 1.412 32.099 4.601 1.00 1.00 H new ATOM 0 HA3 GLY A 74 2.063 30.672 5.383 1.00 1.00 H new ATOM 1211 N ASN A 75 1.264 31.312 7.682 1.00 1.00 N ATOM 1212 CA ASN A 75 0.748 31.646 8.999 1.00 1.00 C ATOM 1213 C ASN A 75 1.573 30.921 10.064 1.00 1.00 C ATOM 1214 O ASN A 75 2.660 30.426 9.733 1.00 1.00 O ATOM 1215 CB ASN A 75 -0.709 31.206 9.148 1.00 1.00 C ATOM 1216 CG ASN A 75 -0.812 29.684 9.269 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -0.539 29.098 10.304 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -1.221 29.079 8.158 1.00 1.00 N ATOM 0 H ASN A 75 1.412 30.314 7.531 1.00 1.00 H new ATOM 0 HA ASN A 75 0.812 32.727 9.122 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -1.146 31.675 10.030 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -1.285 31.546 8.287 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -1.323 28.064 8.138 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -1.433 29.630 7.326 1.00 1.00 H new ATOM 1225 N TYR A 76 1.049 30.874 11.302 1.00 1.00 N ATOM 1226 CA TYR A 76 1.784 30.203 12.361 1.00 1.00 C ATOM 1227 C TYR A 76 0.812 29.785 13.466 1.00 1.00 C ATOM 1228 O TYR A 76 -0.061 30.595 13.810 1.00 1.00 O ATOM 1229 CB TYR A 76 2.899 31.122 12.895 1.00 1.00 C ATOM 1230 CG TYR A 76 2.598 32.610 12.784 1.00 1.00 C ATOM 1231 CD1 TYR A 76 1.487 33.159 13.464 1.00 1.00 C ATOM 1232 CD2 TYR A 76 3.427 33.452 12.007 1.00 1.00 C ATOM 1233 CE1 TYR A 76 1.206 34.538 13.367 1.00 1.00 C ATOM 1234 CE2 TYR A 76 3.146 34.831 11.910 1.00 1.00 C ATOM 1235 CZ TYR A 76 2.034 35.376 12.590 1.00 1.00 C ATOM 1236 OH TYR A 76 1.758 36.710 12.498 1.00 1.00 O ATOM 0 H TYR A 76 0.154 31.279 11.577 1.00 1.00 H new ATOM 0 HA TYR A 76 2.262 29.304 11.971 1.00 1.00 H new ATOM 0 HB2 TYR A 76 3.083 30.879 13.941 1.00 1.00 H new ATOM 0 HB3 TYR A 76 3.819 30.909 12.351 1.00 1.00 H new ATOM 0 HD1 TYR A 76 0.851 32.521 14.060 1.00 1.00 H new ATOM 0 HD2 TYR A 76 4.278 33.038 11.486 1.00 1.00 H new ATOM 0 HE1 TYR A 76 0.356 34.953 13.888 1.00 1.00 H new ATOM 0 HE2 TYR A 76 3.781 35.471 11.315 1.00 1.00 H new ATOM 0 HH TYR A 76 0.888 36.835 12.065 1.00 1.00 H new ATOM 1246 N TRP A 77 0.970 28.555 13.985 1.00 1.00 N ATOM 1247 CA TRP A 77 0.102 28.043 15.032 1.00 1.00 C ATOM 1248 C TRP A 77 0.761 28.277 16.393 1.00 1.00 C ATOM 1249 O TRP A 77 1.996 28.206 16.471 1.00 1.00 O ATOM 1250 CB TRP A 77 -0.231 26.573 14.773 1.00 1.00 C ATOM 1251 CG TRP A 77 -0.691 26.281 13.344 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -0.458 27.001 12.238 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -1.478 25.153 12.907 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -1.035 26.423 11.126 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -1.675 25.263 11.546 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -2.007 24.074 13.639 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -2.402 24.329 10.798 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -2.731 23.150 12.877 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -2.938 23.247 11.506 1.00 1.00 C ATOM 0 H TRP A 77 1.696 27.904 13.688 1.00 1.00 H new ATOM 0 HA TRP A 77 -0.848 28.578 15.032 1.00 1.00 H new ATOM 0 HB2 TRP A 77 0.649 25.968 14.991 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -1.012 26.261 15.466 1.00 1.00 H new ATOM 0 HD1 TRP A 77 0.110 27.919 12.219 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -0.999 26.781 10.172 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -1.866 23.967 14.704 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -2.542 24.438 9.733 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -3.159 22.302 13.390 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -3.510 22.491 10.989 1.00 1.00 H new ATOM 1270 N THR A 78 -0.063 28.546 17.422 1.00 1.00 N ATOM 1271 CA THR A 78 0.437 28.787 18.765 1.00 1.00 C ATOM 1272 C THR A 78 -0.275 27.851 19.744 1.00 1.00 C ATOM 1273 O THR A 78 -1.502 27.707 19.636 1.00 1.00 O ATOM 1274 CB THR A 78 0.252 30.269 19.097 1.00 1.00 C ATOM 1275 OG1 THR A 78 -1.127 30.515 18.830 1.00 1.00 O ATOM 1276 CG2 THR A 78 0.989 31.185 18.118 1.00 1.00 C ATOM 0 H THR A 78 -1.078 28.599 17.337 1.00 1.00 H new ATOM 0 HA THR A 78 1.502 28.568 18.842 1.00 1.00 H new ATOM 0 HB THR A 78 0.606 30.461 20.110 1.00 1.00 H new ATOM 0 HG1 THR A 78 -1.335 31.454 19.020 1.00 1.00 H new ATOM 0 HG21 THR A 78 0.825 32.225 18.399 1.00 1.00 H new ATOM 0 HG22 THR A 78 2.056 30.965 18.147 1.00 1.00 H new ATOM 0 HG23 THR A 78 0.612 31.018 17.109 1.00 1.00 H new ATOM 1284 N LEU A 79 0.495 27.246 20.666 1.00 1.00 N ATOM 1285 CA LEU A 79 -0.059 26.334 21.653 1.00 1.00 C ATOM 1286 C LEU A 79 -0.847 27.133 22.693 1.00 1.00 C ATOM 1287 O LEU A 79 -0.310 28.126 23.205 1.00 1.00 O ATOM 1288 CB LEU A 79 1.044 25.462 22.255 1.00 1.00 C ATOM 1289 CG LEU A 79 1.150 24.038 21.704 1.00 1.00 C ATOM 1290 CD1 LEU A 79 2.213 23.952 20.608 1.00 1.00 C ATOM 1291 CD2 LEU A 79 1.403 23.032 22.828 1.00 1.00 C ATOM 0 H LEU A 79 1.504 27.380 20.739 1.00 1.00 H new ATOM 0 HA LEU A 79 -0.759 25.643 21.183 1.00 1.00 H new ATOM 0 HB2 LEU A 79 2.000 25.962 22.100 1.00 1.00 H new ATOM 0 HB3 LEU A 79 0.886 25.403 23.332 1.00 1.00 H new ATOM 0 HG LEU A 79 0.195 23.777 21.248 1.00 1.00 H new ATOM 0 HD11 LEU A 79 2.268 22.930 20.234 1.00 1.00 H new ATOM 0 HD12 LEU A 79 1.949 24.624 19.791 1.00 1.00 H new ATOM 0 HD13 LEU A 79 3.181 24.241 21.017 1.00 1.00 H new ATOM 0 HD21 LEU A 79 1.474 22.028 22.409 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.335 23.280 23.335 1.00 1.00 H new ATOM 0 HD23 LEU A 79 0.580 23.070 23.542 1.00 1.00 H new ATOM 1303 N ASP A 80 -2.085 26.691 22.980 1.00 1.00 N ATOM 1304 CA ASP A 80 -2.936 27.360 23.949 1.00 1.00 C ATOM 1305 C ASP A 80 -3.247 26.399 25.098 1.00 1.00 C ATOM 1306 O ASP A 80 -3.324 25.187 24.848 1.00 1.00 O ATOM 1307 CB ASP A 80 -4.262 27.787 23.317 1.00 1.00 C ATOM 1308 CG ASP A 80 -4.823 29.117 23.824 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -4.097 30.117 23.928 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -6.077 29.101 24.124 1.00 1.00 O ATOM 0 H ASP A 80 -2.508 25.870 22.547 1.00 1.00 H new ATOM 0 HA ASP A 80 -2.408 28.243 24.308 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -4.127 27.855 22.238 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -5.001 27.006 23.497 1.00 1.00 H new ATOM 1315 N PRO A 81 -3.418 26.948 26.313 1.00 1.00 N ATOM 1316 CA PRO A 81 -3.718 26.176 27.507 1.00 1.00 C ATOM 1317 C PRO A 81 -5.176 25.711 27.507 1.00 1.00 C ATOM 1318 O PRO A 81 -5.812 25.763 28.570 1.00 1.00 O ATOM 1319 CB PRO A 81 -3.391 27.102 28.667 1.00 1.00 C ATOM 1320 CG PRO A 81 -3.363 28.506 28.085 1.00 1.00 C ATOM 1321 CD PRO A 81 -3.319 28.382 26.571 1.00 1.00 C ATOM 0 HA PRO A 81 -3.135 25.257 27.571 1.00 1.00 H new ATOM 0 HB2 PRO A 81 -4.140 27.021 29.455 1.00 1.00 H new ATOM 0 HB3 PRO A 81 -2.430 26.845 29.113 1.00 1.00 H new ATOM 0 HG2 PRO A 81 -4.245 29.066 28.397 1.00 1.00 H new ATOM 0 HG3 PRO A 81 -2.493 29.053 28.449 1.00 1.00 H new ATOM 0 HD2 PRO A 81 -4.141 28.926 26.105 1.00 1.00 H new ATOM 0 HD3 PRO A 81 -2.394 28.794 26.167 1.00 1.00 H new ATOM 1329 N GLN A 82 -5.668 25.273 26.334 1.00 1.00 N ATOM 1330 CA GLN A 82 -7.037 24.805 26.200 1.00 1.00 C ATOM 1331 C GLN A 82 -7.079 23.293 26.430 1.00 1.00 C ATOM 1332 O GLN A 82 -8.139 22.785 26.824 1.00 1.00 O ATOM 1333 CB GLN A 82 -7.625 25.169 24.835 1.00 1.00 C ATOM 1334 CG GLN A 82 -9.115 25.497 24.950 1.00 1.00 C ATOM 1335 CD GLN A 82 -9.955 24.535 24.107 1.00 1.00 C ATOM 1336 OE1 GLN A 82 -9.858 23.324 24.220 1.00 1.00 O ATOM 1337 NE2 GLN A 82 -10.781 25.140 23.259 1.00 1.00 N ATOM 0 H GLN A 82 -5.127 25.238 25.470 1.00 1.00 H new ATOM 0 HA GLN A 82 -7.651 25.301 26.952 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -7.091 26.025 24.422 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -7.484 24.340 24.141 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -9.425 25.437 25.993 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.292 26.522 24.623 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.812 26.159 23.216 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.384 24.586 22.651 1.00 1.00 H new ATOM 1346 N SER A 83 -5.944 22.615 26.183 1.00 1.00 N ATOM 1347 CA SER A 83 -5.852 21.175 26.362 1.00 1.00 C ATOM 1348 C SER A 83 -5.888 20.848 27.856 1.00 1.00 C ATOM 1349 O SER A 83 -6.874 20.245 28.303 1.00 1.00 O ATOM 1350 CB SER A 83 -4.580 20.612 25.725 1.00 1.00 C ATOM 1351 OG SER A 83 -4.738 19.252 25.330 1.00 1.00 O ATOM 0 H SER A 83 -5.082 23.052 25.858 1.00 1.00 H new ATOM 0 HA SER A 83 -6.702 20.709 25.863 1.00 1.00 H new ATOM 0 HB2 SER A 83 -4.313 21.213 24.856 1.00 1.00 H new ATOM 0 HB3 SER A 83 -3.755 20.691 26.433 1.00 1.00 H new ATOM 0 HG SER A 83 -5.479 18.850 25.830 1.00 1.00 H new ATOM 1357 N GLU A 84 -4.830 21.245 28.585 1.00 1.00 N ATOM 1358 CA GLU A 84 -4.743 20.996 30.014 1.00 1.00 C ATOM 1359 C GLU A 84 -4.826 19.489 30.270 1.00 1.00 C ATOM 1360 O GLU A 84 -4.975 19.097 31.437 1.00 1.00 O ATOM 1361 CB GLU A 84 -5.833 21.744 30.783 1.00 1.00 C ATOM 1362 CG GLU A 84 -5.223 22.678 31.830 1.00 1.00 C ATOM 1363 CD GLU A 84 -5.611 24.133 31.558 1.00 1.00 C ATOM 1364 OE1 GLU A 84 -6.852 24.321 31.260 1.00 1.00 O ATOM 1365 OE2 GLU A 84 -4.754 25.027 31.631 1.00 1.00 O ATOM 0 H GLU A 84 -4.027 21.740 28.196 1.00 1.00 H new ATOM 0 HA GLU A 84 -3.786 21.371 30.377 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -6.443 22.321 30.088 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -6.495 21.029 31.271 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -5.562 22.387 32.824 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -4.137 22.580 31.822 1.00 1.00 H new ATOM 1372 N ASP A 85 -4.729 18.689 29.193 1.00 1.00 N ATOM 1373 CA ASP A 85 -4.793 17.242 29.302 1.00 1.00 C ATOM 1374 C ASP A 85 -3.428 16.706 29.740 1.00 1.00 C ATOM 1375 O ASP A 85 -3.385 15.896 30.677 1.00 1.00 O ATOM 1376 CB ASP A 85 -5.141 16.603 27.955 1.00 1.00 C ATOM 1377 CG ASP A 85 -6.529 16.952 27.414 1.00 1.00 C ATOM 1378 OD1 ASP A 85 -7.530 16.908 28.146 1.00 1.00 O ATOM 1379 OD2 ASP A 85 -6.561 17.284 26.168 1.00 1.00 O ATOM 0 H ASP A 85 -4.606 19.033 28.240 1.00 1.00 H new ATOM 0 HA ASP A 85 -5.565 16.993 30.030 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -4.394 16.908 27.222 1.00 1.00 H new ATOM 0 HB3 ASP A 85 -5.068 15.520 28.054 1.00 1.00 H new ATOM 1384 N MET A 86 -2.358 17.162 29.064 1.00 1.00 N ATOM 1385 CA MET A 86 -1.007 16.732 29.382 1.00 1.00 C ATOM 1386 C MET A 86 -0.495 17.521 30.588 1.00 1.00 C ATOM 1387 O MET A 86 -0.453 16.953 31.689 1.00 1.00 O ATOM 1388 CB MET A 86 -0.079 16.966 28.188 1.00 1.00 C ATOM 1389 CG MET A 86 -0.451 16.053 27.017 1.00 1.00 C ATOM 1390 SD MET A 86 -1.665 16.878 25.946 1.00 1.00 S ATOM 1391 CE MET A 86 -0.572 18.024 25.055 1.00 1.00 C ATOM 0 H MET A 86 -2.415 17.829 28.295 1.00 1.00 H new ATOM 0 HA MET A 86 -1.020 15.667 29.614 1.00 1.00 H new ATOM 0 HB2 MET A 86 -0.139 18.008 27.875 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.954 16.781 28.484 1.00 1.00 H new ATOM 0 HG2 MET A 86 0.441 15.802 26.443 1.00 1.00 H new ATOM 0 HG3 MET A 86 -0.862 15.116 27.392 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.049 19.002 24.986 1.00 1.00 H new ATOM 0 HE2 MET A 86 0.372 18.118 25.592 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.383 17.641 24.052 1.00 1.00 H new ATOM 1401 N PHE A 87 -0.124 18.794 30.362 1.00 1.00 N ATOM 1402 CA PHE A 87 0.379 19.649 31.423 1.00 1.00 C ATOM 1403 C PHE A 87 1.262 18.824 32.362 1.00 1.00 C ATOM 1404 O PHE A 87 1.266 19.108 33.569 1.00 1.00 O ATOM 1405 CB PHE A 87 -0.810 20.261 32.188 1.00 1.00 C ATOM 1406 CG PHE A 87 -0.601 21.701 32.641 1.00 1.00 C ATOM 1407 CD1 PHE A 87 0.282 21.986 33.708 1.00 1.00 C ATOM 1408 CD2 PHE A 87 -1.281 22.759 31.995 1.00 1.00 C ATOM 1409 CE1 PHE A 87 0.481 23.319 34.127 1.00 1.00 C ATOM 1410 CE2 PHE A 87 -1.081 24.092 32.415 1.00 1.00 C ATOM 1411 CZ PHE A 87 -0.201 24.372 33.481 1.00 1.00 C ATOM 0 H PHE A 87 -0.168 19.243 29.447 1.00 1.00 H new ATOM 0 HA PHE A 87 0.978 20.457 31.003 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -1.694 20.219 31.552 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -1.017 19.645 33.063 1.00 1.00 H new ATOM 0 HD1 PHE A 87 0.805 21.182 34.204 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.955 22.547 31.178 1.00 1.00 H new ATOM 0 HE1 PHE A 87 1.156 23.533 34.943 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -1.602 24.898 31.920 1.00 1.00 H new ATOM 0 HZ PHE A 87 -0.049 25.392 33.803 1.00 1.00 H new ATOM 1421 N ASP A 88 1.980 17.836 31.800 1.00 1.00 N ATOM 1422 CA ASP A 88 2.857 16.981 32.581 1.00 1.00 C ATOM 1423 C ASP A 88 3.552 15.984 31.651 1.00 1.00 C ATOM 1424 O ASP A 88 4.747 16.169 31.376 1.00 1.00 O ATOM 1425 CB ASP A 88 2.066 16.184 33.621 1.00 1.00 C ATOM 1426 CG ASP A 88 2.050 16.792 35.025 1.00 1.00 C ATOM 1427 OD1 ASP A 88 3.105 16.994 35.646 1.00 1.00 O ATOM 1428 OD2 ASP A 88 0.877 17.063 35.488 1.00 1.00 O ATOM 0 H ASP A 88 1.962 17.619 30.804 1.00 1.00 H new ATOM 0 HA ASP A 88 3.583 17.617 33.088 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.038 16.082 33.274 1.00 1.00 H new ATOM 0 HB3 ASP A 88 2.483 15.179 33.681 1.00 1.00 H new ATOM 1433 N ASN A 89 2.804 14.965 31.193 1.00 1.00 N ATOM 1434 CA ASN A 89 3.344 13.952 30.303 1.00 1.00 C ATOM 1435 C ASN A 89 3.830 14.618 29.014 1.00 1.00 C ATOM 1436 O ASN A 89 4.643 14.008 28.304 1.00 1.00 O ATOM 1437 CB ASN A 89 2.277 12.921 29.929 1.00 1.00 C ATOM 1438 CG ASN A 89 0.924 13.594 29.690 1.00 1.00 C ATOM 1439 OD1 ASN A 89 0.641 14.115 28.624 1.00 1.00 O ATOM 1440 ND2 ASN A 89 0.107 13.555 30.738 1.00 1.00 N ATOM 0 H ASN A 89 1.822 14.831 31.432 1.00 1.00 H new ATOM 0 HA ASN A 89 4.163 13.452 30.820 1.00 1.00 H new ATOM 0 HB2 ASN A 89 2.584 12.384 29.031 1.00 1.00 H new ATOM 0 HB3 ASN A 89 2.184 12.183 30.726 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -0.819 13.978 30.678 1.00 1.00 H new ATOM 0 HD22 ASN A 89 0.407 13.102 31.602 1.00 1.00 H new ATOM 1447 N GLY A 90 3.330 15.837 28.740 1.00 1.00 N ATOM 1448 CA GLY A 90 3.711 16.575 27.548 1.00 1.00 C ATOM 1449 C GLY A 90 5.219 16.831 27.572 1.00 1.00 C ATOM 1450 O GLY A 90 5.868 16.626 26.535 1.00 1.00 O ATOM 0 H GLY A 90 2.660 16.322 29.337 1.00 1.00 H new ATOM 0 HA2 GLY A 90 3.440 16.011 26.655 1.00 1.00 H new ATOM 0 HA3 GLY A 90 3.171 17.521 27.504 1.00 1.00 H new ATOM 1454 N SER A 91 5.739 17.266 28.734 1.00 1.00 N ATOM 1455 CA SER A 91 7.156 17.545 28.887 1.00 1.00 C ATOM 1456 C SER A 91 7.563 18.648 27.908 1.00 1.00 C ATOM 1457 O SER A 91 8.660 18.555 27.337 1.00 1.00 O ATOM 1458 CB SER A 91 8.002 16.292 28.655 1.00 1.00 C ATOM 1459 OG SER A 91 9.145 16.255 29.505 1.00 1.00 O ATOM 0 H SER A 91 5.187 17.429 29.576 1.00 1.00 H new ATOM 0 HA SER A 91 7.335 17.876 29.910 1.00 1.00 H new ATOM 0 HB2 SER A 91 7.392 15.405 28.829 1.00 1.00 H new ATOM 0 HB3 SER A 91 8.323 16.259 27.614 1.00 1.00 H new ATOM 0 HG SER A 91 9.658 15.439 29.328 1.00 1.00 H new ATOM 1465 N PHE A 92 6.687 19.654 27.736 1.00 1.00 N ATOM 1466 CA PHE A 92 6.953 20.762 26.834 1.00 1.00 C ATOM 1467 C PHE A 92 7.962 21.711 27.484 1.00 1.00 C ATOM 1468 O PHE A 92 8.978 22.021 26.844 1.00 1.00 O ATOM 1469 CB PHE A 92 5.633 21.495 26.526 1.00 1.00 C ATOM 1470 CG PHE A 92 5.483 21.953 25.082 1.00 1.00 C ATOM 1471 CD1 PHE A 92 5.016 21.056 24.093 1.00 1.00 C ATOM 1472 CD2 PHE A 92 5.818 23.278 24.720 1.00 1.00 C ATOM 1473 CE1 PHE A 92 4.882 21.483 22.754 1.00 1.00 C ATOM 1474 CE2 PHE A 92 5.684 23.704 23.381 1.00 1.00 C ATOM 1475 CZ PHE A 92 5.216 22.806 22.399 1.00 1.00 C ATOM 0 H PHE A 92 5.789 19.712 28.217 1.00 1.00 H new ATOM 0 HA PHE A 92 7.374 20.393 25.899 1.00 1.00 H new ATOM 0 HB2 PHE A 92 4.801 20.836 26.772 1.00 1.00 H new ATOM 0 HB3 PHE A 92 5.555 22.364 27.179 1.00 1.00 H new ATOM 0 HD1 PHE A 92 4.761 20.042 24.363 1.00 1.00 H new ATOM 0 HD2 PHE A 92 6.178 23.966 25.470 1.00 1.00 H new ATOM 0 HE1 PHE A 92 4.524 20.796 22.002 1.00 1.00 H new ATOM 0 HE2 PHE A 92 5.940 24.717 23.108 1.00 1.00 H new ATOM 0 HZ PHE A 92 5.113 23.132 21.375 1.00 1.00 H new ATOM 1485 N LEU A 93 7.669 22.146 28.723 1.00 1.00 N ATOM 1486 CA LEU A 93 8.544 23.050 29.449 1.00 1.00 C ATOM 1487 C LEU A 93 9.869 22.344 29.742 1.00 1.00 C ATOM 1488 O LEU A 93 10.493 22.594 30.772 1.00 1.00 O ATOM 1489 CB LEU A 93 7.843 23.585 30.699 1.00 1.00 C ATOM 1490 CG LEU A 93 8.555 24.725 31.431 1.00 1.00 C ATOM 1491 CD1 LEU A 93 8.164 26.082 30.843 1.00 1.00 C ATOM 1492 CD2 LEU A 93 8.294 24.657 32.937 1.00 1.00 C ATOM 0 H LEU A 93 6.827 21.878 29.233 1.00 1.00 H new ATOM 0 HA LEU A 93 8.776 23.925 28.842 1.00 1.00 H new ATOM 0 HB2 LEU A 93 6.848 23.928 30.415 1.00 1.00 H new ATOM 0 HB3 LEU A 93 7.708 22.759 31.398 1.00 1.00 H new ATOM 0 HG LEU A 93 9.629 24.607 31.284 1.00 1.00 H new ATOM 0 HD11 LEU A 93 8.684 26.875 31.381 1.00 1.00 H new ATOM 0 HD12 LEU A 93 8.442 26.116 29.790 1.00 1.00 H new ATOM 0 HD13 LEU A 93 7.088 26.224 30.939 1.00 1.00 H new ATOM 0 HD21 LEU A 93 8.811 25.478 33.433 1.00 1.00 H new ATOM 0 HD22 LEU A 93 7.223 24.736 33.125 1.00 1.00 H new ATOM 0 HD23 LEU A 93 8.661 23.708 33.327 1.00 1.00 H new TER 1504 LEU A 93