USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 795 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 71 THR OG1 : rot 87:sc= 1.25 USER MOD Set 1.2: A 78 THR OG1 : rot -87:sc= 0.097 USER MOD Set 2.1: A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00416) USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0467 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 1.13 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.285 K(o=0.29,f=-5.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.135 K(o=-0.13,f=-4.2!) USER MOD Single : A 23 ASN : amide:sc= -0.595 X(o=-0.59,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -134:sc= 1.24 USER MOD Single : A 28 SER OG : rot 11:sc= 1.18 USER MOD Single : A 32 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.8) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 64:sc= 0.596 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.236) USER MOD Single : A 59 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.68) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.0917 (180deg=-0.689) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -177:sc= -2.89 (180deg=-2.98) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0656) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.0813 F(o=-0.58,f=-0.081) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.494 F(o=-1.1,f=-0.49) USER MOD Single : A 94 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.6!) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.956 F(o=-1.5!,f=-0.96) USER MOD Single : A 96 ASN : amide:sc= -0.0727 X(o=-0.073,f=-0.15) USER MOD Single : A 97 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.03) USER MOD Single : A 98 MET CE :methyl 146:sc= -0.461 (180deg=-1.74!) USER MOD Single : A 101 THR OG1 : rot 25:sc= 0.343 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.663 -39.252 -6.366 1.00 0.00 N ATOM 2 CA GLY A 1 16.170 -38.440 -7.463 1.00 0.00 C ATOM 3 C GLY A 1 15.059 -37.500 -7.036 1.00 0.00 C ATOM 4 O GLY A 1 14.937 -37.169 -5.856 1.00 0.00 O ATOM 0 H1 GLY A 1 17.698 -39.168 -6.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.240 -38.924 -5.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.405 -40.246 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.993 -37.859 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.805 -39.091 -8.258 1.00 0.00 H new ATOM 8 N SER A 2 14.249 -37.069 -7.997 1.00 0.00 N ATOM 9 CA SER A 2 13.146 -36.158 -7.715 1.00 0.00 C ATOM 10 C SER A 2 12.165 -36.115 -8.882 1.00 0.00 C ATOM 11 O SER A 2 12.564 -35.975 -10.038 1.00 0.00 O ATOM 12 CB SER A 2 13.678 -34.752 -7.429 1.00 0.00 C ATOM 13 OG SER A 2 14.017 -34.603 -6.061 1.00 0.00 O ATOM 0 H SER A 2 14.336 -37.336 -8.978 1.00 0.00 H new ATOM 0 HA SER A 2 12.620 -36.526 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.555 -34.559 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.926 -34.012 -7.703 1.00 0.00 H new ATOM 0 HG SER A 2 14.393 -35.443 -5.724 1.00 0.00 H new ATOM 19 N SER A 3 10.878 -36.236 -8.570 1.00 0.00 N ATOM 20 CA SER A 3 9.839 -36.215 -9.593 1.00 0.00 C ATOM 21 C SER A 3 8.710 -35.267 -9.200 1.00 0.00 C ATOM 22 O SER A 3 8.568 -34.901 -8.034 1.00 0.00 O ATOM 23 CB SER A 3 9.283 -37.623 -9.814 1.00 0.00 C ATOM 24 OG SER A 3 10.317 -38.533 -10.146 1.00 0.00 O ATOM 0 H SER A 3 10.530 -36.349 -7.618 1.00 0.00 H new ATOM 0 HA SER A 3 10.285 -35.858 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.772 -37.961 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.541 -37.603 -10.612 1.00 0.00 H new ATOM 0 HG SER A 3 9.936 -39.426 -10.281 1.00 0.00 H new ATOM 30 N GLY A 4 7.908 -34.871 -10.185 1.00 0.00 N ATOM 31 CA GLY A 4 6.802 -33.969 -9.924 1.00 0.00 C ATOM 32 C GLY A 4 5.934 -33.747 -11.146 1.00 0.00 C ATOM 33 O GLY A 4 6.232 -34.253 -12.228 1.00 0.00 O ATOM 0 H GLY A 4 8.005 -35.159 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.191 -34.373 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.192 -33.011 -9.580 1.00 0.00 H new ATOM 37 N SER A 5 4.855 -32.990 -10.975 1.00 0.00 N ATOM 38 CA SER A 5 3.937 -32.708 -12.072 1.00 0.00 C ATOM 39 C SER A 5 2.869 -31.706 -11.642 1.00 0.00 C ATOM 40 O SER A 5 2.489 -31.651 -10.473 1.00 0.00 O ATOM 41 CB SER A 5 3.276 -33.999 -12.557 1.00 0.00 C ATOM 42 OG SER A 5 2.660 -34.691 -11.485 1.00 0.00 O ATOM 0 H SER A 5 4.595 -32.561 -10.087 1.00 0.00 H new ATOM 0 HA SER A 5 4.510 -32.273 -12.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.532 -33.766 -13.319 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.023 -34.640 -13.026 1.00 0.00 H new ATOM 0 HG SER A 5 2.243 -35.512 -11.822 1.00 0.00 H new ATOM 48 N SER A 6 2.389 -30.916 -12.597 1.00 0.00 N ATOM 49 CA SER A 6 1.368 -29.913 -12.318 1.00 0.00 C ATOM 50 C SER A 6 0.904 -29.238 -13.605 1.00 0.00 C ATOM 51 O SER A 6 1.713 -28.903 -14.470 1.00 0.00 O ATOM 52 CB SER A 6 1.905 -28.864 -11.343 1.00 0.00 C ATOM 53 OG SER A 6 0.849 -28.118 -10.764 1.00 0.00 O ATOM 0 H SER A 6 2.691 -30.951 -13.571 1.00 0.00 H new ATOM 0 HA SER A 6 0.514 -30.416 -11.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.481 -29.354 -10.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.585 -28.192 -11.866 1.00 0.00 H new ATOM 0 HG SER A 6 1.218 -27.456 -10.143 1.00 0.00 H new ATOM 59 N GLY A 7 -0.405 -29.040 -13.725 1.00 0.00 N ATOM 60 CA GLY A 7 -0.955 -28.406 -14.908 1.00 0.00 C ATOM 61 C GLY A 7 -1.842 -27.224 -14.573 1.00 0.00 C ATOM 62 O GLY A 7 -1.494 -26.397 -13.731 1.00 0.00 O ATOM 0 H GLY A 7 -1.095 -29.308 -13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.140 -28.074 -15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.530 -29.138 -15.475 1.00 0.00 H new ATOM 66 N ALA A 8 -2.992 -27.142 -15.235 1.00 0.00 N ATOM 67 CA ALA A 8 -3.932 -26.053 -15.002 1.00 0.00 C ATOM 68 C ALA A 8 -5.363 -26.490 -15.297 1.00 0.00 C ATOM 69 O ALA A 8 -5.610 -27.252 -16.232 1.00 0.00 O ATOM 70 CB ALA A 8 -3.562 -24.846 -15.851 1.00 0.00 C ATOM 0 H ALA A 8 -3.295 -27.817 -15.937 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.874 -25.775 -13.950 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.272 -24.040 -15.667 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.558 -24.511 -15.590 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.590 -25.121 -16.905 1.00 0.00 H new ATOM 76 N SER A 9 -6.303 -26.004 -14.492 1.00 0.00 N ATOM 77 CA SER A 9 -7.709 -26.348 -14.664 1.00 0.00 C ATOM 78 C SER A 9 -8.533 -25.112 -15.009 1.00 0.00 C ATOM 79 O SER A 9 -8.278 -24.009 -14.523 1.00 0.00 O ATOM 80 CB SER A 9 -8.256 -27.001 -13.393 1.00 0.00 C ATOM 81 OG SER A 9 -8.433 -26.043 -12.363 1.00 0.00 O ATOM 0 H SER A 9 -6.116 -25.371 -13.714 1.00 0.00 H new ATOM 0 HA SER A 9 -7.785 -27.056 -15.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.208 -27.486 -13.610 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.571 -27.779 -13.056 1.00 0.00 H new ATOM 0 HG SER A 9 -8.785 -26.485 -11.562 1.00 0.00 H new ATOM 87 N PRO A 10 -9.547 -25.297 -15.868 1.00 0.00 N ATOM 88 CA PRO A 10 -10.430 -24.209 -16.297 1.00 0.00 C ATOM 89 C PRO A 10 -11.341 -23.725 -15.174 1.00 0.00 C ATOM 90 O PRO A 10 -11.265 -24.211 -14.046 1.00 0.00 O ATOM 91 CB PRO A 10 -11.255 -24.844 -17.419 1.00 0.00 C ATOM 92 CG PRO A 10 -11.243 -26.303 -17.120 1.00 0.00 C ATOM 93 CD PRO A 10 -9.909 -26.584 -16.485 1.00 0.00 C ATOM 0 HA PRO A 10 -9.870 -23.327 -16.608 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.272 -24.451 -17.433 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.819 -24.637 -18.396 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.059 -26.571 -16.449 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.373 -26.889 -18.030 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.977 -27.380 -15.744 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.171 -26.898 -17.223 1.00 0.00 H new ATOM 101 N VAL A 11 -12.204 -22.764 -15.491 1.00 0.00 N ATOM 102 CA VAL A 11 -13.131 -22.215 -14.509 1.00 0.00 C ATOM 103 C VAL A 11 -14.494 -21.941 -15.134 1.00 0.00 C ATOM 104 O VAL A 11 -14.602 -21.201 -16.112 1.00 0.00 O ATOM 105 CB VAL A 11 -12.590 -20.912 -13.893 1.00 0.00 C ATOM 106 CG1 VAL A 11 -12.475 -19.827 -14.953 1.00 0.00 C ATOM 107 CG2 VAL A 11 -13.478 -20.456 -12.746 1.00 0.00 C ATOM 0 H VAL A 11 -12.280 -22.350 -16.420 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.238 -22.962 -13.723 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.593 -21.105 -13.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.091 -18.914 -14.499 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.794 -20.156 -15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.458 -19.633 -15.383 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.080 -19.534 -12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.488 -20.280 -13.116 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.503 -21.227 -11.976 1.00 0.00 H new ATOM 117 N GLU A 12 -15.533 -22.542 -14.563 1.00 0.00 N ATOM 118 CA GLU A 12 -16.890 -22.362 -15.065 1.00 0.00 C ATOM 119 C GLU A 12 -17.731 -21.551 -14.083 1.00 0.00 C ATOM 120 O GLU A 12 -17.940 -21.962 -12.942 1.00 0.00 O ATOM 121 CB GLU A 12 -17.549 -23.720 -15.318 1.00 0.00 C ATOM 122 CG GLU A 12 -16.881 -24.525 -16.419 1.00 0.00 C ATOM 123 CD GLU A 12 -17.204 -26.004 -16.338 1.00 0.00 C ATOM 124 OE1 GLU A 12 -16.603 -26.696 -15.489 1.00 0.00 O ATOM 125 OE2 GLU A 12 -18.056 -26.470 -17.123 1.00 0.00 O ATOM 0 H GLU A 12 -15.461 -23.157 -13.753 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.832 -21.814 -16.005 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -17.533 -24.300 -14.395 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.596 -23.563 -15.578 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.198 -24.140 -17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.801 -24.389 -16.359 1.00 0.00 H new ATOM 132 N ASN A 13 -18.210 -20.397 -14.535 1.00 0.00 N ATOM 133 CA ASN A 13 -19.027 -19.527 -13.697 1.00 0.00 C ATOM 134 C ASN A 13 -19.707 -18.447 -14.533 1.00 0.00 C ATOM 135 O ASN A 13 -19.318 -18.192 -15.673 1.00 0.00 O ATOM 136 CB ASN A 13 -18.168 -18.881 -12.608 1.00 0.00 C ATOM 137 CG ASN A 13 -19.000 -18.342 -11.460 1.00 0.00 C ATOM 138 OD1 ASN A 13 -20.220 -18.502 -11.434 1.00 0.00 O ATOM 139 ND2 ASN A 13 -18.341 -17.698 -10.503 1.00 0.00 N ATOM 0 H ASN A 13 -18.046 -20.042 -15.477 1.00 0.00 H new ATOM 0 HA ASN A 13 -19.799 -20.136 -13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.458 -19.615 -12.226 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.584 -18.069 -13.043 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.847 -17.313 -9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.329 -17.589 -10.566 1.00 0.00 H new ATOM 146 N LYS A 14 -20.724 -17.814 -13.958 1.00 0.00 N ATOM 147 CA LYS A 14 -21.458 -16.760 -14.648 1.00 0.00 C ATOM 148 C LYS A 14 -20.576 -15.533 -14.860 1.00 0.00 C ATOM 149 O LYS A 14 -19.456 -15.469 -14.356 1.00 0.00 O ATOM 150 CB LYS A 14 -22.705 -16.373 -13.850 1.00 0.00 C ATOM 151 CG LYS A 14 -23.941 -17.171 -14.229 1.00 0.00 C ATOM 152 CD LYS A 14 -24.007 -18.488 -13.474 1.00 0.00 C ATOM 153 CE LYS A 14 -24.367 -18.275 -12.012 1.00 0.00 C ATOM 154 NZ LYS A 14 -25.839 -18.313 -11.791 1.00 0.00 N ATOM 0 H LYS A 14 -21.059 -18.013 -13.015 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.762 -17.141 -15.623 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -22.504 -16.512 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -22.907 -15.312 -14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -24.834 -16.583 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.935 -17.365 -15.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -24.746 -19.139 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.045 -18.997 -13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.889 -19.044 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.974 -17.315 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -26.043 -18.164 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -26.294 -17.563 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -26.211 -19.239 -12.086 1.00 0.00 H new ATOM 168 N GLU A 15 -21.091 -14.562 -15.608 1.00 0.00 N ATOM 169 CA GLU A 15 -20.349 -13.338 -15.886 1.00 0.00 C ATOM 170 C GLU A 15 -20.450 -12.364 -14.715 1.00 0.00 C ATOM 171 O GLU A 15 -21.545 -11.983 -14.302 1.00 0.00 O ATOM 172 CB GLU A 15 -20.874 -12.675 -17.161 1.00 0.00 C ATOM 173 CG GLU A 15 -20.138 -13.108 -18.419 1.00 0.00 C ATOM 174 CD GLU A 15 -18.730 -12.551 -18.491 1.00 0.00 C ATOM 175 OE1 GLU A 15 -18.548 -11.356 -18.175 1.00 0.00 O ATOM 176 OE2 GLU A 15 -17.810 -13.308 -18.863 1.00 0.00 O ATOM 0 H GLU A 15 -22.018 -14.599 -16.032 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.301 -13.603 -16.028 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.933 -12.907 -17.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.794 -11.593 -17.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.096 -14.197 -18.455 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.699 -12.782 -19.295 1.00 0.00 H new ATOM 183 N VAL A 16 -19.298 -11.964 -14.185 1.00 0.00 N ATOM 184 CA VAL A 16 -19.256 -11.035 -13.063 1.00 0.00 C ATOM 185 C VAL A 16 -18.208 -9.950 -13.287 1.00 0.00 C ATOM 186 O VAL A 16 -17.183 -10.185 -13.928 1.00 0.00 O ATOM 187 CB VAL A 16 -18.948 -11.764 -11.741 1.00 0.00 C ATOM 188 CG1 VAL A 16 -17.563 -12.390 -11.787 1.00 0.00 C ATOM 189 CG2 VAL A 16 -19.071 -10.808 -10.564 1.00 0.00 C ATOM 0 H VAL A 16 -18.382 -12.269 -14.515 1.00 0.00 H new ATOM 0 HA VAL A 16 -20.242 -10.576 -12.995 1.00 0.00 H new ATOM 0 HB VAL A 16 -19.678 -12.563 -11.608 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.363 -12.900 -10.845 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.515 -13.108 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.817 -11.611 -11.943 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.850 -11.340 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -18.366 -9.986 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -20.086 -10.412 -10.521 1.00 0.00 H new ATOM 199 N TYR A 17 -18.472 -8.762 -12.756 1.00 0.00 N ATOM 200 CA TYR A 17 -17.553 -7.639 -12.900 1.00 0.00 C ATOM 201 C TYR A 17 -16.620 -7.540 -11.697 1.00 0.00 C ATOM 202 O TYR A 17 -16.974 -6.962 -10.670 1.00 0.00 O ATOM 203 CB TYR A 17 -18.332 -6.333 -13.063 1.00 0.00 C ATOM 204 CG TYR A 17 -19.396 -6.392 -14.136 1.00 0.00 C ATOM 205 CD1 TYR A 17 -19.173 -7.071 -15.327 1.00 0.00 C ATOM 206 CD2 TYR A 17 -20.626 -5.771 -13.957 1.00 0.00 C ATOM 207 CE1 TYR A 17 -20.142 -7.127 -16.310 1.00 0.00 C ATOM 208 CE2 TYR A 17 -21.602 -5.823 -14.934 1.00 0.00 C ATOM 209 CZ TYR A 17 -21.355 -6.502 -16.109 1.00 0.00 C ATOM 210 OH TYR A 17 -22.323 -6.557 -17.085 1.00 0.00 O ATOM 0 H TYR A 17 -19.315 -8.551 -12.222 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.950 -7.809 -13.792 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -18.800 -6.078 -12.112 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -17.634 -5.530 -13.300 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -18.225 -7.564 -15.487 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -20.823 -5.238 -13.038 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -19.951 -7.657 -17.231 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -22.553 -5.335 -14.778 1.00 0.00 H new ATOM 0 HH TYR A 17 -23.117 -6.067 -16.786 1.00 0.00 H new ATOM 220 N GLN A 18 -15.427 -8.109 -11.833 1.00 0.00 N ATOM 221 CA GLN A 18 -14.443 -8.086 -10.758 1.00 0.00 C ATOM 222 C GLN A 18 -13.494 -6.902 -10.914 1.00 0.00 C ATOM 223 O GLN A 18 -13.208 -6.465 -12.029 1.00 0.00 O ATOM 224 CB GLN A 18 -13.648 -9.393 -10.738 1.00 0.00 C ATOM 225 CG GLN A 18 -14.212 -10.434 -9.785 1.00 0.00 C ATOM 226 CD GLN A 18 -13.909 -11.853 -10.225 1.00 0.00 C ATOM 227 OE1 GLN A 18 -14.797 -12.581 -10.669 1.00 0.00 O ATOM 228 NE2 GLN A 18 -12.649 -12.254 -10.103 1.00 0.00 N ATOM 0 H GLN A 18 -15.119 -8.592 -12.677 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.976 -7.979 -9.813 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.624 -9.809 -11.745 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.617 -9.177 -10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.800 -10.271 -8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.292 -10.304 -9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.945 -11.617 -9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.385 -13.199 -10.382 1.00 0.00 H new ATOM 237 N CYS A 19 -13.009 -6.388 -9.789 1.00 0.00 N ATOM 238 CA CYS A 19 -12.092 -5.253 -9.800 1.00 0.00 C ATOM 239 C CYS A 19 -10.689 -5.692 -10.206 1.00 0.00 C ATOM 240 O CYS A 19 -10.161 -6.677 -9.690 1.00 0.00 O ATOM 241 CB CYS A 19 -12.052 -4.591 -8.421 1.00 0.00 C ATOM 242 SG CYS A 19 -10.954 -3.140 -8.325 1.00 0.00 S ATOM 0 H CYS A 19 -13.235 -6.739 -8.858 1.00 0.00 H new ATOM 0 HA CYS A 19 -12.454 -4.531 -10.532 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.062 -4.288 -8.146 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -11.729 -5.327 -7.685 1.00 0.00 H new ATOM 247 N ARG A 20 -10.090 -4.954 -11.135 1.00 0.00 N ATOM 248 CA ARG A 20 -8.748 -5.266 -11.612 1.00 0.00 C ATOM 249 C ARG A 20 -7.691 -4.726 -10.654 1.00 0.00 C ATOM 250 O ARG A 20 -6.535 -4.533 -11.033 1.00 0.00 O ATOM 251 CB ARG A 20 -8.532 -4.683 -13.010 1.00 0.00 C ATOM 252 CG ARG A 20 -9.417 -5.309 -14.075 1.00 0.00 C ATOM 253 CD ARG A 20 -9.005 -6.742 -14.370 1.00 0.00 C ATOM 254 NE ARG A 20 -7.784 -6.808 -15.168 1.00 0.00 N ATOM 255 CZ ARG A 20 -7.235 -7.945 -15.580 1.00 0.00 C ATOM 256 NH1 ARG A 20 -7.797 -9.106 -15.272 1.00 0.00 N ATOM 257 NH2 ARG A 20 -6.123 -7.923 -16.303 1.00 0.00 N ATOM 0 H ARG A 20 -10.513 -4.135 -11.572 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.649 -6.350 -11.659 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.719 -3.610 -12.979 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.488 -4.817 -13.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.456 -5.289 -13.745 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.362 -4.718 -14.989 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.854 -7.276 -13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.812 -7.249 -14.899 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.327 -5.932 -15.423 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.653 -9.127 -14.718 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.373 -9.978 -15.590 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.688 -7.032 -16.543 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.703 -8.797 -16.619 1.00 0.00 H new ATOM 271 N LEU A 21 -8.095 -4.482 -9.412 1.00 0.00 N ATOM 272 CA LEU A 21 -7.182 -3.962 -8.399 1.00 0.00 C ATOM 273 C LEU A 21 -7.133 -4.886 -7.186 1.00 0.00 C ATOM 274 O LEU A 21 -6.060 -5.180 -6.659 1.00 0.00 O ATOM 275 CB LEU A 21 -7.612 -2.559 -7.969 1.00 0.00 C ATOM 276 CG LEU A 21 -7.953 -1.586 -9.098 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.589 -0.322 -8.540 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.707 -1.247 -9.904 1.00 0.00 C ATOM 0 H LEU A 21 -9.048 -4.636 -9.082 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.184 -3.911 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.483 -2.651 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.812 -2.123 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.672 -2.067 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.825 0.358 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.504 -0.580 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.894 0.163 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.968 -0.553 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.966 -0.786 -9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.294 -2.159 -10.335 1.00 0.00 H new ATOM 290 N CYS A 22 -8.302 -5.342 -6.748 1.00 0.00 N ATOM 291 CA CYS A 22 -8.394 -6.234 -5.599 1.00 0.00 C ATOM 292 C CYS A 22 -9.133 -7.518 -5.963 1.00 0.00 C ATOM 293 O CYS A 22 -9.102 -8.497 -5.220 1.00 0.00 O ATOM 294 CB CYS A 22 -9.106 -5.534 -4.439 1.00 0.00 C ATOM 295 SG CYS A 22 -10.743 -4.862 -4.869 1.00 0.00 S ATOM 0 H CYS A 22 -9.200 -5.108 -7.172 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.381 -6.494 -5.292 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.220 -6.241 -3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.476 -4.722 -4.077 1.00 0.00 H new ATOM 300 N ASN A 23 -9.798 -7.504 -7.114 1.00 0.00 N ATOM 301 CA ASN A 23 -10.547 -8.667 -7.578 1.00 0.00 C ATOM 302 C ASN A 23 -11.795 -8.885 -6.728 1.00 0.00 C ATOM 303 O ASN A 23 -12.093 -10.008 -6.323 1.00 0.00 O ATOM 304 CB ASN A 23 -9.664 -9.916 -7.539 1.00 0.00 C ATOM 305 CG ASN A 23 -8.261 -9.650 -8.049 1.00 0.00 C ATOM 306 OD1 ASN A 23 -7.333 -9.444 -7.267 1.00 0.00 O ATOM 307 ND2 ASN A 23 -8.101 -9.651 -9.368 1.00 0.00 N ATOM 0 H ASN A 23 -9.834 -6.701 -7.742 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.858 -8.482 -8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.611 -10.288 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.123 -10.701 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.180 -9.476 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.899 -9.827 -9.978 1.00 0.00 H new ATOM 314 N ALA A 24 -12.520 -7.804 -6.463 1.00 0.00 N ATOM 315 CA ALA A 24 -13.737 -7.877 -5.665 1.00 0.00 C ATOM 316 C ALA A 24 -14.978 -7.771 -6.544 1.00 0.00 C ATOM 317 O ALA A 24 -15.231 -6.734 -7.158 1.00 0.00 O ATOM 318 CB ALA A 24 -13.742 -6.782 -4.608 1.00 0.00 C ATOM 0 H ALA A 24 -12.285 -6.867 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.758 -8.847 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.657 -6.849 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.879 -6.905 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.693 -5.807 -5.094 1.00 0.00 H new ATOM 324 N LYS A 25 -15.751 -8.850 -6.601 1.00 0.00 N ATOM 325 CA LYS A 25 -16.967 -8.880 -7.405 1.00 0.00 C ATOM 326 C LYS A 25 -17.812 -7.634 -7.160 1.00 0.00 C ATOM 327 O LYS A 25 -18.074 -7.264 -6.014 1.00 0.00 O ATOM 328 CB LYS A 25 -17.784 -10.134 -7.086 1.00 0.00 C ATOM 329 CG LYS A 25 -17.084 -11.428 -7.463 1.00 0.00 C ATOM 330 CD LYS A 25 -17.796 -12.637 -6.880 1.00 0.00 C ATOM 331 CE LYS A 25 -19.121 -12.895 -7.582 1.00 0.00 C ATOM 332 NZ LYS A 25 -19.676 -14.235 -7.242 1.00 0.00 N ATOM 0 H LYS A 25 -15.557 -9.716 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.677 -8.901 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.009 -10.150 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.737 -10.080 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -17.043 -11.517 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.055 -11.403 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.157 -13.516 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.971 -12.479 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.837 -12.123 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.981 -12.823 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.579 -14.373 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.004 -14.973 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.834 -14.295 -6.216 1.00 0.00 H new ATOM 346 N LEU A 26 -18.236 -6.990 -8.242 1.00 0.00 N ATOM 347 CA LEU A 26 -19.053 -5.785 -8.144 1.00 0.00 C ATOM 348 C LEU A 26 -20.538 -6.125 -8.238 1.00 0.00 C ATOM 349 O LEU A 26 -20.908 -7.279 -8.450 1.00 0.00 O ATOM 350 CB LEU A 26 -18.674 -4.797 -9.248 1.00 0.00 C ATOM 351 CG LEU A 26 -17.492 -3.875 -8.946 1.00 0.00 C ATOM 352 CD1 LEU A 26 -17.627 -3.272 -7.556 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.179 -4.632 -9.076 1.00 0.00 C ATOM 0 H LEU A 26 -18.028 -7.282 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 26 -18.865 -5.326 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.446 -5.362 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.544 -4.179 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.494 -3.063 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.777 -2.619 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.550 -2.694 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.651 -4.070 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.349 -3.960 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.168 -5.464 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.079 -5.015 -10.092 1.00 0.00 H new ATOM 365 N SER A 27 -21.382 -5.111 -8.079 1.00 0.00 N ATOM 366 CA SER A 27 -22.827 -5.303 -8.144 1.00 0.00 C ATOM 367 C SER A 27 -23.356 -4.970 -9.536 1.00 0.00 C ATOM 368 O SER A 27 -24.456 -5.379 -9.908 1.00 0.00 O ATOM 369 CB SER A 27 -23.525 -4.432 -7.098 1.00 0.00 C ATOM 370 OG SER A 27 -23.707 -3.110 -7.574 1.00 0.00 O ATOM 0 H SER A 27 -21.091 -4.149 -7.904 1.00 0.00 H new ATOM 0 HA SER A 27 -23.041 -6.351 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.492 -4.867 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 27 -22.934 -4.414 -6.182 1.00 0.00 H new ATOM 0 HG SER A 27 -23.445 -2.472 -6.877 1.00 0.00 H new ATOM 376 N SER A 28 -22.565 -4.224 -10.301 1.00 0.00 N ATOM 377 CA SER A 28 -22.955 -3.832 -11.650 1.00 0.00 C ATOM 378 C SER A 28 -21.779 -3.208 -12.395 1.00 0.00 C ATOM 379 O SER A 28 -20.775 -2.830 -11.790 1.00 0.00 O ATOM 380 CB SER A 28 -24.123 -2.846 -11.600 1.00 0.00 C ATOM 381 OG SER A 28 -25.344 -3.515 -11.334 1.00 0.00 O ATOM 0 H SER A 28 -21.650 -3.879 -10.009 1.00 0.00 H new ATOM 0 HA SER A 28 -23.268 -4.728 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.939 -2.098 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.195 -2.314 -12.549 1.00 0.00 H new ATOM 0 HG SER A 28 -25.159 -4.442 -11.074 1.00 0.00 H new ATOM 387 N LEU A 29 -21.911 -3.102 -13.713 1.00 0.00 N ATOM 388 CA LEU A 29 -20.860 -2.524 -14.543 1.00 0.00 C ATOM 389 C LEU A 29 -20.416 -1.171 -13.995 1.00 0.00 C ATOM 390 O LEU A 29 -19.225 -0.857 -13.977 1.00 0.00 O ATOM 391 CB LEU A 29 -21.349 -2.367 -15.984 1.00 0.00 C ATOM 392 CG LEU A 29 -20.281 -2.486 -17.072 1.00 0.00 C ATOM 393 CD1 LEU A 29 -19.803 -3.924 -17.196 1.00 0.00 C ATOM 394 CD2 LEU A 29 -20.819 -1.984 -18.404 1.00 0.00 C ATOM 0 H LEU A 29 -22.735 -3.409 -14.229 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.005 -3.200 -14.527 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.115 -3.120 -16.171 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.829 -1.393 -16.079 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.431 -1.866 -16.789 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.043 -3.989 -17.975 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.378 -4.249 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -20.645 -4.566 -17.456 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.046 -2.076 -19.167 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.686 -2.578 -18.693 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.111 -0.938 -18.308 1.00 0.00 H new ATOM 406 N LEU A 30 -21.380 -0.375 -13.547 1.00 0.00 N ATOM 407 CA LEU A 30 -21.089 0.944 -12.996 1.00 0.00 C ATOM 408 C LEU A 30 -20.176 0.835 -11.779 1.00 0.00 C ATOM 409 O LEU A 30 -19.122 1.469 -11.724 1.00 0.00 O ATOM 410 CB LEU A 30 -22.387 1.656 -12.611 1.00 0.00 C ATOM 411 CG LEU A 30 -22.306 3.177 -12.484 1.00 0.00 C ATOM 412 CD1 LEU A 30 -22.118 3.818 -13.851 1.00 0.00 C ATOM 413 CD2 LEU A 30 -23.553 3.723 -11.805 1.00 0.00 C ATOM 0 H LEU A 30 -22.370 -0.620 -13.554 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.576 1.526 -13.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.145 1.414 -13.355 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.732 1.250 -11.660 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.442 3.425 -11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.063 4.901 -13.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.195 3.451 -14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.961 3.561 -14.492 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.478 4.807 -11.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.432 3.464 -12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.644 3.290 -10.809 1.00 0.00 H new ATOM 425 N GLU A 31 -20.587 0.027 -10.807 1.00 0.00 N ATOM 426 CA GLU A 31 -19.804 -0.165 -9.591 1.00 0.00 C ATOM 427 C GLU A 31 -18.343 -0.454 -9.925 1.00 0.00 C ATOM 428 O GLU A 31 -17.443 -0.119 -9.156 1.00 0.00 O ATOM 429 CB GLU A 31 -20.385 -1.310 -8.759 1.00 0.00 C ATOM 430 CG GLU A 31 -20.190 -1.135 -7.263 1.00 0.00 C ATOM 431 CD GLU A 31 -21.040 -2.089 -6.448 1.00 0.00 C ATOM 432 OE1 GLU A 31 -20.604 -3.240 -6.236 1.00 0.00 O ATOM 433 OE2 GLU A 31 -22.143 -1.685 -6.022 1.00 0.00 O ATOM 0 H GLU A 31 -21.457 -0.505 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.851 0.756 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.451 -1.397 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -19.921 -2.246 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.139 -1.290 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.435 -0.110 -6.986 1.00 0.00 H new ATOM 440 N GLN A 32 -18.118 -1.079 -11.076 1.00 0.00 N ATOM 441 CA GLN A 32 -16.767 -1.414 -11.511 1.00 0.00 C ATOM 442 C GLN A 32 -16.005 -0.163 -11.936 1.00 0.00 C ATOM 443 O GLN A 32 -14.822 -0.012 -11.633 1.00 0.00 O ATOM 444 CB GLN A 32 -16.815 -2.414 -12.668 1.00 0.00 C ATOM 445 CG GLN A 32 -15.484 -3.099 -12.935 1.00 0.00 C ATOM 446 CD GLN A 32 -15.548 -4.061 -14.105 1.00 0.00 C ATOM 447 OE1 GLN A 32 -16.501 -4.047 -14.884 1.00 0.00 O ATOM 448 NE2 GLN A 32 -14.530 -4.905 -14.234 1.00 0.00 N ATOM 0 H GLN A 32 -18.853 -1.363 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.243 -1.867 -10.669 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.567 -3.172 -12.451 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.136 -1.896 -13.572 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.724 -2.343 -13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.172 -3.640 -12.041 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.760 -4.882 -13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.518 -5.576 -15.002 1.00 0.00 H new ATOM 457 N GLY A 33 -16.692 0.732 -12.640 1.00 0.00 N ATOM 458 CA GLY A 33 -16.063 1.958 -13.095 1.00 0.00 C ATOM 459 C GLY A 33 -15.848 2.951 -11.971 1.00 0.00 C ATOM 460 O GLY A 33 -14.982 3.821 -12.059 1.00 0.00 O ATOM 0 H GLY A 33 -17.672 0.630 -12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.104 1.721 -13.555 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.682 2.416 -13.867 1.00 0.00 H new ATOM 464 N SER A 34 -16.640 2.824 -10.911 1.00 0.00 N ATOM 465 CA SER A 34 -16.536 3.721 -9.767 1.00 0.00 C ATOM 466 C SER A 34 -15.586 3.154 -8.716 1.00 0.00 C ATOM 467 O SER A 34 -14.619 3.806 -8.321 1.00 0.00 O ATOM 468 CB SER A 34 -17.916 3.956 -9.149 1.00 0.00 C ATOM 469 OG SER A 34 -18.577 5.042 -9.776 1.00 0.00 O ATOM 0 H SER A 34 -17.361 2.108 -10.821 1.00 0.00 H new ATOM 0 HA SER A 34 -16.136 4.672 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.520 3.054 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.811 4.156 -8.083 1.00 0.00 H new ATOM 0 HG SER A 34 -19.457 5.171 -9.365 1.00 0.00 H new ATOM 475 N HIS A 35 -15.870 1.935 -8.267 1.00 0.00 N ATOM 476 CA HIS A 35 -15.041 1.279 -7.263 1.00 0.00 C ATOM 477 C HIS A 35 -13.574 1.281 -7.682 1.00 0.00 C ATOM 478 O HIS A 35 -12.679 1.212 -6.841 1.00 0.00 O ATOM 479 CB HIS A 35 -15.516 -0.157 -7.038 1.00 0.00 C ATOM 480 CG HIS A 35 -14.568 -0.981 -6.222 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.747 -1.223 -4.877 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.428 -1.622 -6.570 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.757 -1.976 -4.431 1.00 0.00 C ATOM 484 NE2 HIS A 35 -12.943 -2.232 -5.439 1.00 0.00 N ATOM 0 H HIS A 35 -16.667 1.383 -8.583 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.135 1.836 -6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.486 -0.136 -6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.663 -0.638 -8.005 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -15.523 -0.875 -4.314 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.983 -1.649 -7.554 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.634 -2.323 -3.416 1.00 0.00 H new ATOM 492 N GLU A 36 -13.337 1.361 -8.988 1.00 0.00 N ATOM 493 CA GLU A 36 -11.978 1.371 -9.518 1.00 0.00 C ATOM 494 C GLU A 36 -11.358 2.760 -9.398 1.00 0.00 C ATOM 495 O GLU A 36 -10.136 2.907 -9.394 1.00 0.00 O ATOM 496 CB GLU A 36 -11.975 0.924 -10.981 1.00 0.00 C ATOM 497 CG GLU A 36 -11.888 -0.583 -11.156 1.00 0.00 C ATOM 498 CD GLU A 36 -11.317 -0.982 -12.503 1.00 0.00 C ATOM 499 OE1 GLU A 36 -10.391 -0.294 -12.981 1.00 0.00 O ATOM 500 OE2 GLU A 36 -11.795 -1.981 -13.079 1.00 0.00 O ATOM 0 H GLU A 36 -14.067 1.420 -9.698 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.381 0.673 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.882 1.286 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.133 1.390 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.267 -1.002 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.882 -1.016 -11.044 1.00 0.00 H new ATOM 507 N ARG A 37 -12.209 3.776 -9.301 1.00 0.00 N ATOM 508 CA ARG A 37 -11.746 5.153 -9.183 1.00 0.00 C ATOM 509 C ARG A 37 -11.134 5.405 -7.808 1.00 0.00 C ATOM 510 O ARG A 37 -10.062 6.001 -7.693 1.00 0.00 O ATOM 511 CB ARG A 37 -12.902 6.126 -9.425 1.00 0.00 C ATOM 512 CG ARG A 37 -13.207 6.355 -10.896 1.00 0.00 C ATOM 513 CD ARG A 37 -14.359 7.331 -11.080 1.00 0.00 C ATOM 514 NE ARG A 37 -13.944 8.714 -10.863 1.00 0.00 N ATOM 515 CZ ARG A 37 -14.779 9.684 -10.505 1.00 0.00 C ATOM 516 NH1 ARG A 37 -16.066 9.422 -10.325 1.00 0.00 N ATOM 517 NH2 ARG A 37 -14.326 10.918 -10.326 1.00 0.00 N ATOM 0 H ARG A 37 -13.224 3.671 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.978 5.317 -9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.796 5.744 -8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.665 7.082 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.319 6.740 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.454 5.405 -11.370 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.764 7.228 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.161 7.080 -10.386 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.960 8.948 -10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.417 8.474 -10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.705 10.168 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.336 11.123 -10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.967 11.662 -10.051 1.00 0.00 H new ATOM 531 N LEU A 38 -11.822 4.948 -6.768 1.00 0.00 N ATOM 532 CA LEU A 38 -11.348 5.124 -5.400 1.00 0.00 C ATOM 533 C LEU A 38 -10.345 4.036 -5.027 1.00 0.00 C ATOM 534 O LEU A 38 -9.375 4.290 -4.313 1.00 0.00 O ATOM 535 CB LEU A 38 -12.525 5.104 -4.424 1.00 0.00 C ATOM 536 CG LEU A 38 -13.673 4.156 -4.776 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.301 3.586 -3.513 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.719 4.874 -5.616 1.00 0.00 C ATOM 0 H LEU A 38 -12.710 4.453 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.849 6.091 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.148 4.835 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.925 6.115 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.270 3.330 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.116 2.914 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.548 3.035 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.690 4.400 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.528 4.184 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.118 5.720 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.262 5.233 -6.538 1.00 0.00 H new ATOM 550 N CYS A 39 -10.585 2.825 -5.517 1.00 0.00 N ATOM 551 CA CYS A 39 -9.703 1.698 -5.238 1.00 0.00 C ATOM 552 C CYS A 39 -8.358 1.874 -5.937 1.00 0.00 C ATOM 553 O CYS A 39 -7.466 1.036 -5.807 1.00 0.00 O ATOM 554 CB CYS A 39 -10.357 0.389 -5.686 1.00 0.00 C ATOM 555 SG CYS A 39 -9.407 -1.103 -5.250 1.00 0.00 S ATOM 0 H CYS A 39 -11.384 2.598 -6.110 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.531 1.660 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.349 0.319 -5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.496 0.416 -6.767 1.00 0.00 H new ATOM 560 N ARG A 40 -8.222 2.968 -6.679 1.00 0.00 N ATOM 561 CA ARG A 40 -6.987 3.253 -7.399 1.00 0.00 C ATOM 562 C ARG A 40 -5.972 3.938 -6.488 1.00 0.00 C ATOM 563 O ARG A 40 -4.799 3.569 -6.461 1.00 0.00 O ATOM 564 CB ARG A 40 -7.273 4.136 -8.616 1.00 0.00 C ATOM 565 CG ARG A 40 -6.409 3.809 -9.822 1.00 0.00 C ATOM 566 CD ARG A 40 -4.969 4.249 -9.611 1.00 0.00 C ATOM 567 NE ARG A 40 -4.763 5.646 -9.986 1.00 0.00 N ATOM 568 CZ ARG A 40 -4.551 6.048 -11.234 1.00 0.00 C ATOM 569 NH1 ARG A 40 -4.517 5.165 -12.222 1.00 0.00 N ATOM 570 NH2 ARG A 40 -4.372 7.336 -11.496 1.00 0.00 N ATOM 0 H ARG A 40 -8.951 3.671 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.566 2.306 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.322 4.031 -8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.119 5.180 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.439 2.736 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.815 4.301 -10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.697 4.111 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.306 3.614 -10.199 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.783 6.351 -9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.654 4.174 -12.025 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.354 5.477 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.397 8.019 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.209 7.644 -12.455 1.00 0.00 H new ATOM 584 N ASN A 41 -6.432 4.939 -5.744 1.00 0.00 N ATOM 585 CA ASN A 41 -5.565 5.676 -4.833 1.00 0.00 C ATOM 586 C ASN A 41 -5.905 5.357 -3.381 1.00 0.00 C ATOM 587 O ASN A 41 -5.757 6.202 -2.498 1.00 0.00 O ATOM 588 CB ASN A 41 -5.692 7.181 -5.080 1.00 0.00 C ATOM 589 CG ASN A 41 -5.456 7.550 -6.532 1.00 0.00 C ATOM 590 OD1 ASN A 41 -4.326 7.816 -6.941 1.00 0.00 O ATOM 591 ND2 ASN A 41 -6.526 7.569 -7.319 1.00 0.00 N ATOM 0 H ASN A 41 -7.401 5.258 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.536 5.369 -5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.686 7.513 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.976 7.711 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.430 7.811 -8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.444 7.341 -6.937 1.00 0.00 H new ATOM 598 N ALA A 42 -6.360 4.132 -3.140 1.00 0.00 N ATOM 599 CA ALA A 42 -6.718 3.700 -1.795 1.00 0.00 C ATOM 600 C ALA A 42 -5.480 3.554 -0.917 1.00 0.00 C ATOM 601 O ALA A 42 -5.312 4.282 0.061 1.00 0.00 O ATOM 602 CB ALA A 42 -7.487 2.388 -1.849 1.00 0.00 C ATOM 0 H ALA A 42 -6.489 3.421 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.356 4.465 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.748 2.077 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.397 2.524 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.867 1.622 -2.315 1.00 0.00 H new ATOM 608 N ALA A 43 -4.616 2.609 -1.273 1.00 0.00 N ATOM 609 CA ALA A 43 -3.392 2.369 -0.518 1.00 0.00 C ATOM 610 C ALA A 43 -2.195 2.209 -1.449 1.00 0.00 C ATOM 611 O ALA A 43 -1.902 1.107 -1.915 1.00 0.00 O ATOM 612 CB ALA A 43 -3.548 1.138 0.362 1.00 0.00 C ATOM 0 H ALA A 43 -4.741 1.997 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.210 3.236 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.627 0.971 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.372 1.291 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.757 0.269 -0.262 1.00 0.00 H new ATOM 618 N VAL A 44 -1.507 3.314 -1.717 1.00 0.00 N ATOM 619 CA VAL A 44 -0.342 3.295 -2.593 1.00 0.00 C ATOM 620 C VAL A 44 0.949 3.436 -1.793 1.00 0.00 C ATOM 621 O VAL A 44 1.284 4.523 -1.321 1.00 0.00 O ATOM 622 CB VAL A 44 -0.409 4.422 -3.641 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.836 4.412 -4.515 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.666 4.287 -4.487 1.00 0.00 C ATOM 0 H VAL A 44 -1.736 4.234 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.346 2.333 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.450 5.379 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.771 5.215 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.719 4.560 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.911 3.454 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.698 5.091 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.657 3.326 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.545 4.347 -3.845 1.00 0.00 H new ATOM 634 N CYS A 45 1.670 2.331 -1.644 1.00 0.00 N ATOM 635 CA CYS A 45 2.925 2.329 -0.901 1.00 0.00 C ATOM 636 C CYS A 45 3.917 3.316 -1.509 1.00 0.00 C ATOM 637 O CYS A 45 4.284 3.224 -2.681 1.00 0.00 O ATOM 638 CB CYS A 45 3.530 0.925 -0.885 1.00 0.00 C ATOM 639 SG CYS A 45 5.006 0.764 0.171 1.00 0.00 S ATOM 0 H CYS A 45 1.407 1.424 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 45 2.713 2.637 0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.773 0.219 -0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.793 0.643 -1.904 1.00 0.00 H new ATOM 644 N PRO A 46 4.364 4.284 -0.694 1.00 0.00 N ATOM 645 CA PRO A 46 5.320 5.306 -1.129 1.00 0.00 C ATOM 646 C PRO A 46 6.712 4.732 -1.370 1.00 0.00 C ATOM 647 O PRO A 46 7.670 5.473 -1.593 1.00 0.00 O ATOM 648 CB PRO A 46 5.344 6.291 0.043 1.00 0.00 C ATOM 649 CG PRO A 46 4.941 5.481 1.227 1.00 0.00 C ATOM 650 CD PRO A 46 3.969 4.454 0.714 1.00 0.00 C ATOM 0 HA PRO A 46 5.030 5.758 -2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.336 6.722 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.656 7.120 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.807 5.004 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.480 6.108 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.043 3.518 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.938 4.796 0.804 1.00 0.00 H new ATOM 658 N TYR A 47 6.817 3.409 -1.326 1.00 0.00 N ATOM 659 CA TYR A 47 8.093 2.735 -1.538 1.00 0.00 C ATOM 660 C TYR A 47 8.120 2.034 -2.892 1.00 0.00 C ATOM 661 O TYR A 47 8.951 2.342 -3.748 1.00 0.00 O ATOM 662 CB TYR A 47 8.351 1.722 -0.421 1.00 0.00 C ATOM 663 CG TYR A 47 8.383 2.338 0.959 1.00 0.00 C ATOM 664 CD1 TYR A 47 9.050 3.534 1.192 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.748 1.722 2.031 1.00 0.00 C ATOM 666 CE1 TYR A 47 9.083 4.100 2.452 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.775 2.282 3.294 1.00 0.00 C ATOM 668 CZ TYR A 47 8.443 3.470 3.499 1.00 0.00 C ATOM 669 OH TYR A 47 8.473 4.030 4.756 1.00 0.00 O ATOM 0 H TYR A 47 6.034 2.781 -1.145 1.00 0.00 H new ATOM 0 HA TYR A 47 8.880 3.489 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.576 0.956 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.301 1.221 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.551 4.030 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.225 0.790 1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.607 5.030 2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.275 1.791 4.116 1.00 0.00 H new ATOM 0 HH TYR A 47 7.974 3.462 5.379 1.00 0.00 H new ATOM 679 N CYS A 48 7.205 1.090 -3.081 1.00 0.00 N ATOM 680 CA CYS A 48 7.122 0.343 -4.330 1.00 0.00 C ATOM 681 C CYS A 48 5.910 0.783 -5.147 1.00 0.00 C ATOM 682 O CYS A 48 5.587 0.181 -6.171 1.00 0.00 O ATOM 683 CB CYS A 48 7.042 -1.158 -4.048 1.00 0.00 C ATOM 684 SG CYS A 48 5.668 -1.636 -2.951 1.00 0.00 S ATOM 0 H CYS A 48 6.509 0.824 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 48 8.023 0.549 -4.908 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.939 -1.690 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.981 -1.483 -3.600 1.00 0.00 H new ATOM 689 N SER A 49 5.245 1.838 -4.687 1.00 0.00 N ATOM 690 CA SER A 49 4.067 2.357 -5.373 1.00 0.00 C ATOM 691 C SER A 49 3.079 1.236 -5.679 1.00 0.00 C ATOM 692 O SER A 49 2.638 1.075 -6.818 1.00 0.00 O ATOM 693 CB SER A 49 4.474 3.062 -6.668 1.00 0.00 C ATOM 694 OG SER A 49 4.769 2.124 -7.688 1.00 0.00 O ATOM 0 H SER A 49 5.501 2.350 -3.843 1.00 0.00 H new ATOM 0 HA SER A 49 3.581 3.076 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.669 3.720 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.345 3.691 -6.485 1.00 0.00 H new ATOM 0 HG SER A 49 3.961 1.616 -7.909 1.00 0.00 H new ATOM 700 N LEU A 50 2.734 0.463 -4.656 1.00 0.00 N ATOM 701 CA LEU A 50 1.798 -0.644 -4.814 1.00 0.00 C ATOM 702 C LEU A 50 0.360 -0.137 -4.870 1.00 0.00 C ATOM 703 O LEU A 50 0.117 1.069 -4.875 1.00 0.00 O ATOM 704 CB LEU A 50 1.955 -1.640 -3.663 1.00 0.00 C ATOM 705 CG LEU A 50 2.861 -2.842 -3.935 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.325 -3.467 -2.629 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.138 -3.870 -4.793 1.00 0.00 C ATOM 0 H LEU A 50 3.089 0.582 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 50 2.024 -1.147 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.345 -1.105 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.966 -2.010 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 50 3.739 -2.495 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.968 -4.321 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.881 -2.729 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.459 -3.800 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.797 -4.719 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.242 -4.212 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.856 -3.417 -5.743 1.00 0.00 H new ATOM 719 N ARG A 51 -0.589 -1.067 -4.909 1.00 0.00 N ATOM 720 CA ARG A 51 -2.002 -0.715 -4.963 1.00 0.00 C ATOM 721 C ARG A 51 -2.857 -1.793 -4.304 1.00 0.00 C ATOM 722 O ARG A 51 -3.064 -2.867 -4.868 1.00 0.00 O ATOM 723 CB ARG A 51 -2.445 -0.515 -6.414 1.00 0.00 C ATOM 724 CG ARG A 51 -1.818 0.700 -7.080 1.00 0.00 C ATOM 725 CD ARG A 51 -2.308 0.866 -8.509 1.00 0.00 C ATOM 726 NE ARG A 51 -1.558 0.033 -9.446 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.698 0.101 -10.765 1.00 0.00 C ATOM 728 NH1 ARG A 51 -2.556 0.959 -11.300 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.980 -0.690 -11.551 1.00 0.00 N ATOM 0 H ARG A 51 -0.404 -2.070 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.139 0.218 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.191 -1.406 -6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.530 -0.416 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.057 1.595 -6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.733 0.599 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.366 0.608 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.220 1.912 -8.803 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.890 -0.638 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.110 1.568 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.662 1.010 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.320 -1.351 -11.143 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.088 -0.637 -12.564 1.00 0.00 H new ATOM 743 N PHE A 52 -3.350 -1.499 -3.105 1.00 0.00 N ATOM 744 CA PHE A 52 -4.181 -2.444 -2.368 1.00 0.00 C ATOM 745 C PHE A 52 -5.638 -1.990 -2.353 1.00 0.00 C ATOM 746 O PHE A 52 -5.997 -0.996 -2.985 1.00 0.00 O ATOM 747 CB PHE A 52 -3.668 -2.597 -0.935 1.00 0.00 C ATOM 748 CG PHE A 52 -2.229 -3.019 -0.855 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.211 -2.088 -0.992 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.893 -4.347 -0.644 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.114 -2.475 -0.920 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.570 -4.739 -0.571 1.00 0.00 C ATOM 753 CZ PHE A 52 0.435 -3.802 -0.708 1.00 0.00 C ATOM 0 H PHE A 52 -3.188 -0.614 -2.624 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.125 -3.409 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.790 -1.649 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.283 -3.331 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.456 -1.049 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.675 -5.084 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.898 -1.740 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.322 -5.777 -0.407 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.470 -4.106 -0.650 1.00 0.00 H new ATOM 763 N PHE A 53 -6.473 -2.725 -1.626 1.00 0.00 N ATOM 764 CA PHE A 53 -7.891 -2.400 -1.528 1.00 0.00 C ATOM 765 C PHE A 53 -8.141 -1.379 -0.422 1.00 0.00 C ATOM 766 O PHE A 53 -8.895 -0.424 -0.602 1.00 0.00 O ATOM 767 CB PHE A 53 -8.709 -3.666 -1.264 1.00 0.00 C ATOM 768 CG PHE A 53 -10.084 -3.389 -0.726 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.871 -2.392 -1.278 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.589 -4.127 0.333 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.137 -2.135 -0.786 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.854 -3.875 0.829 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.628 -2.878 0.270 1.00 0.00 C ATOM 0 H PHE A 53 -6.192 -3.550 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.204 -1.964 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.797 -4.232 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.170 -4.296 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.491 -1.808 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.987 -4.907 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.741 -1.355 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.237 -4.458 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.616 -2.679 0.658 1.00 0.00 H new ATOM 783 N SER A 54 -7.501 -1.590 0.724 1.00 0.00 N ATOM 784 CA SER A 54 -7.656 -0.692 1.863 1.00 0.00 C ATOM 785 C SER A 54 -6.310 -0.111 2.284 1.00 0.00 C ATOM 786 O SER A 54 -5.256 -0.722 2.101 1.00 0.00 O ATOM 787 CB SER A 54 -8.296 -1.431 3.039 1.00 0.00 C ATOM 788 OG SER A 54 -9.710 -1.346 2.987 1.00 0.00 O ATOM 0 H SER A 54 -6.870 -2.375 0.888 1.00 0.00 H new ATOM 0 HA SER A 54 -8.307 0.128 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.991 -2.477 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.937 -1.007 3.977 1.00 0.00 H new ATOM 0 HG SER A 54 -10.095 -1.828 3.749 1.00 0.00 H new ATOM 794 N PRO A 55 -6.343 1.099 2.862 1.00 0.00 N ATOM 795 CA PRO A 55 -5.134 1.789 3.322 1.00 0.00 C ATOM 796 C PRO A 55 -4.510 1.116 4.540 1.00 0.00 C ATOM 797 O PRO A 55 -3.442 1.516 5.001 1.00 0.00 O ATOM 798 CB PRO A 55 -5.642 3.187 3.686 1.00 0.00 C ATOM 799 CG PRO A 55 -7.084 2.995 4.006 1.00 0.00 C ATOM 800 CD PRO A 55 -7.562 1.885 3.112 1.00 0.00 C ATOM 0 HA PRO A 55 -4.350 1.788 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.099 3.596 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.510 3.884 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.220 2.736 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.649 3.910 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.335 1.286 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.989 2.270 2.186 1.00 0.00 H new ATOM 808 N GLU A 56 -5.184 0.092 5.055 1.00 0.00 N ATOM 809 CA GLU A 56 -4.693 -0.635 6.220 1.00 0.00 C ATOM 810 C GLU A 56 -3.840 -1.828 5.797 1.00 0.00 C ATOM 811 O GLU A 56 -3.068 -2.366 6.591 1.00 0.00 O ATOM 812 CB GLU A 56 -5.865 -1.112 7.081 1.00 0.00 C ATOM 813 CG GLU A 56 -6.217 -0.159 8.211 1.00 0.00 C ATOM 814 CD GLU A 56 -7.118 0.974 7.758 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.614 1.899 7.087 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.325 0.936 8.076 1.00 0.00 O ATOM 0 H GLU A 56 -6.070 -0.252 4.685 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.073 0.044 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.740 -1.248 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.622 -2.088 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.710 -0.714 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.300 0.256 8.630 1.00 0.00 H new ATOM 823 N LEU A 57 -3.985 -2.235 4.541 1.00 0.00 N ATOM 824 CA LEU A 57 -3.228 -3.364 4.010 1.00 0.00 C ATOM 825 C LEU A 57 -1.788 -2.961 3.710 1.00 0.00 C ATOM 826 O LEU A 57 -0.845 -3.656 4.090 1.00 0.00 O ATOM 827 CB LEU A 57 -3.895 -3.900 2.742 1.00 0.00 C ATOM 828 CG LEU A 57 -4.944 -4.994 2.947 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.743 -5.212 1.671 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.282 -6.290 3.392 1.00 0.00 C ATOM 0 H LEU A 57 -4.620 -1.800 3.871 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.216 -4.149 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.366 -3.065 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.118 -4.288 2.083 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.630 -4.672 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.485 -5.994 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.247 -4.286 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.071 -5.513 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.043 -7.057 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.574 -6.617 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.754 -6.125 4.331 1.00 0.00 H new ATOM 842 N LYS A 58 -1.625 -1.834 3.027 1.00 0.00 N ATOM 843 CA LYS A 58 -0.300 -1.335 2.678 1.00 0.00 C ATOM 844 C LYS A 58 0.546 -1.117 3.928 1.00 0.00 C ATOM 845 O LYS A 58 1.771 -1.227 3.886 1.00 0.00 O ATOM 846 CB LYS A 58 -0.415 -0.027 1.892 1.00 0.00 C ATOM 847 CG LYS A 58 -0.745 1.176 2.759 1.00 0.00 C ATOM 848 CD LYS A 58 0.514 1.848 3.282 1.00 0.00 C ATOM 849 CE LYS A 58 0.321 3.349 3.437 1.00 0.00 C ATOM 850 NZ LYS A 58 -0.589 3.677 4.569 1.00 0.00 N ATOM 0 H LYS A 58 -2.395 -1.248 2.704 1.00 0.00 H new ATOM 0 HA LYS A 58 0.190 -2.083 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.524 0.158 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.186 -0.137 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.328 1.893 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.366 0.862 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.787 1.414 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.341 1.655 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.288 3.825 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.086 3.760 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.270 4.404 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.103 2.821 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.031 4.036 5.370 1.00 0.00 H new ATOM 864 N GLN A 59 -0.116 -0.808 5.038 1.00 0.00 N ATOM 865 CA GLN A 59 0.577 -0.576 6.300 1.00 0.00 C ATOM 866 C GLN A 59 1.393 -1.798 6.707 1.00 0.00 C ATOM 867 O GLN A 59 2.605 -1.709 6.901 1.00 0.00 O ATOM 868 CB GLN A 59 -0.427 -0.229 7.401 1.00 0.00 C ATOM 869 CG GLN A 59 -1.112 1.113 7.199 1.00 0.00 C ATOM 870 CD GLN A 59 -1.663 1.687 8.490 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.012 1.634 9.534 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.868 2.240 8.425 1.00 0.00 N ATOM 0 H GLN A 59 -1.130 -0.713 5.089 1.00 0.00 H new ATOM 0 HA GLN A 59 1.259 0.263 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.185 -1.011 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.088 -0.224 8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.402 1.818 6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.924 0.998 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.372 2.262 7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.290 2.643 9.262 1.00 0.00 H new ATOM 881 N GLU A 60 0.720 -2.938 6.833 1.00 0.00 N ATOM 882 CA GLU A 60 1.385 -4.177 7.218 1.00 0.00 C ATOM 883 C GLU A 60 2.496 -4.528 6.232 1.00 0.00 C ATOM 884 O GLU A 60 3.492 -5.152 6.598 1.00 0.00 O ATOM 885 CB GLU A 60 0.373 -5.323 7.291 1.00 0.00 C ATOM 886 CG GLU A 60 -0.074 -5.828 5.929 1.00 0.00 C ATOM 887 CD GLU A 60 -0.479 -7.289 5.953 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.262 -8.101 6.546 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.538 -7.620 5.379 1.00 0.00 O ATOM 0 H GLU A 60 -0.283 -3.029 6.674 1.00 0.00 H new ATOM 0 HA GLU A 60 1.829 -4.030 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.812 -6.150 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.501 -4.990 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.914 -5.228 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.735 -5.691 5.211 1.00 0.00 H new ATOM 896 N HIS A 61 2.317 -4.122 4.979 1.00 0.00 N ATOM 897 CA HIS A 61 3.303 -4.393 3.939 1.00 0.00 C ATOM 898 C HIS A 61 4.540 -3.519 4.123 1.00 0.00 C ATOM 899 O HIS A 61 5.651 -4.025 4.276 1.00 0.00 O ATOM 900 CB HIS A 61 2.697 -4.154 2.556 1.00 0.00 C ATOM 901 CG HIS A 61 3.719 -3.931 1.484 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.445 -4.954 0.912 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.133 -2.793 0.880 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.263 -4.455 0.003 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.093 -3.146 -0.037 1.00 0.00 N ATOM 0 H HIS A 61 1.498 -3.604 4.659 1.00 0.00 H new ATOM 0 HA HIS A 61 3.602 -5.438 4.020 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.080 -5.011 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.037 -3.288 2.603 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.363 -5.942 1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.775 -1.794 1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.954 -5.021 -0.604 1.00 0.00 H new ATOM 913 N GLU A 62 4.338 -2.205 4.107 1.00 0.00 N ATOM 914 CA GLU A 62 5.438 -1.262 4.270 1.00 0.00 C ATOM 915 C GLU A 62 6.472 -1.798 5.256 1.00 0.00 C ATOM 916 O GLU A 62 7.658 -1.893 4.938 1.00 0.00 O ATOM 917 CB GLU A 62 4.911 0.092 4.752 1.00 0.00 C ATOM 918 CG GLU A 62 4.605 1.062 3.624 1.00 0.00 C ATOM 919 CD GLU A 62 3.836 2.281 4.096 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.788 2.513 5.322 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.283 3.002 3.240 1.00 0.00 O ATOM 0 H GLU A 62 3.424 -1.770 3.983 1.00 0.00 H new ATOM 0 HA GLU A 62 5.919 -1.132 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.006 -0.068 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.647 0.543 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.539 1.382 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.028 0.549 2.855 1.00 0.00 H new ATOM 928 N SER A 63 6.014 -2.145 6.455 1.00 0.00 N ATOM 929 CA SER A 63 6.899 -2.667 7.490 1.00 0.00 C ATOM 930 C SER A 63 7.813 -3.752 6.927 1.00 0.00 C ATOM 931 O SER A 63 9.013 -3.773 7.200 1.00 0.00 O ATOM 932 CB SER A 63 6.082 -3.228 8.655 1.00 0.00 C ATOM 933 OG SER A 63 6.925 -3.774 9.654 1.00 0.00 O ATOM 0 H SER A 63 5.035 -2.074 6.733 1.00 0.00 H new ATOM 0 HA SER A 63 7.518 -1.846 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.467 -2.438 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.402 -3.997 8.289 1.00 0.00 H new ATOM 0 HG SER A 63 6.378 -4.124 10.388 1.00 0.00 H new ATOM 939 N LYS A 64 7.236 -4.651 6.138 1.00 0.00 N ATOM 940 CA LYS A 64 7.996 -5.739 5.533 1.00 0.00 C ATOM 941 C LYS A 64 8.172 -5.514 4.035 1.00 0.00 C ATOM 942 O LYS A 64 8.333 -6.464 3.269 1.00 0.00 O ATOM 943 CB LYS A 64 7.294 -7.077 5.780 1.00 0.00 C ATOM 944 CG LYS A 64 5.888 -7.140 5.210 1.00 0.00 C ATOM 945 CD LYS A 64 4.989 -8.038 6.043 1.00 0.00 C ATOM 946 CE LYS A 64 5.324 -9.507 5.838 1.00 0.00 C ATOM 947 NZ LYS A 64 6.423 -9.956 6.738 1.00 0.00 N ATOM 0 H LYS A 64 6.244 -4.648 5.902 1.00 0.00 H new ATOM 0 HA LYS A 64 8.982 -5.761 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.891 -7.877 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.251 -7.262 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.465 -6.136 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.926 -7.511 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.095 -7.783 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.947 -7.861 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.435 -10.111 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.614 -9.672 4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.339 -10.979 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.341 -9.753 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.358 -9.450 7.644 1.00 0.00 H new ATOM 961 N CYS A 65 8.141 -4.250 3.624 1.00 0.00 N ATOM 962 CA CYS A 65 8.298 -3.899 2.218 1.00 0.00 C ATOM 963 C CYS A 65 9.774 -3.850 1.831 1.00 0.00 C ATOM 964 O CYS A 65 10.497 -2.933 2.220 1.00 0.00 O ATOM 965 CB CYS A 65 7.639 -2.549 1.931 1.00 0.00 C ATOM 966 SG CYS A 65 8.015 -1.873 0.282 1.00 0.00 S ATOM 0 H CYS A 65 8.009 -3.452 4.245 1.00 0.00 H new ATOM 0 HA CYS A 65 7.809 -4.668 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.559 -2.656 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.959 -1.832 2.687 1.00 0.00 H new ATOM 971 N GLU A 66 10.212 -4.842 1.063 1.00 0.00 N ATOM 972 CA GLU A 66 11.601 -4.911 0.624 1.00 0.00 C ATOM 973 C GLU A 66 12.049 -3.581 0.025 1.00 0.00 C ATOM 974 O GLU A 66 13.210 -3.190 0.152 1.00 0.00 O ATOM 975 CB GLU A 66 11.780 -6.031 -0.402 1.00 0.00 C ATOM 976 CG GLU A 66 10.750 -6.004 -1.519 1.00 0.00 C ATOM 977 CD GLU A 66 9.519 -6.829 -1.198 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.299 -7.129 -0.006 1.00 0.00 O ATOM 979 OE2 GLU A 66 8.776 -7.176 -2.140 1.00 0.00 O ATOM 0 H GLU A 66 9.626 -5.608 0.732 1.00 0.00 H new ATOM 0 HA GLU A 66 12.220 -5.124 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.777 -5.958 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.725 -6.992 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.452 -4.973 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.205 -6.378 -2.436 1.00 0.00 H new ATOM 986 N TYR A 67 11.121 -2.891 -0.629 1.00 0.00 N ATOM 987 CA TYR A 67 11.420 -1.607 -1.251 1.00 0.00 C ATOM 988 C TYR A 67 11.617 -0.523 -0.195 1.00 0.00 C ATOM 989 O TYR A 67 12.366 0.432 -0.400 1.00 0.00 O ATOM 990 CB TYR A 67 10.296 -1.205 -2.207 1.00 0.00 C ATOM 991 CG TYR A 67 10.556 -1.594 -3.645 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.036 -2.857 -3.968 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.321 -0.698 -4.680 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.275 -3.216 -5.280 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.556 -1.049 -5.996 1.00 0.00 C ATOM 996 CZ TYR A 67 11.034 -2.309 -6.290 1.00 0.00 C ATOM 997 OH TYR A 67 11.270 -2.663 -7.599 1.00 0.00 O ATOM 0 H TYR A 67 10.155 -3.200 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 67 12.347 -1.713 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.366 -1.668 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.152 -0.126 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.226 -3.570 -3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.948 0.290 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.649 -4.202 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.367 -0.341 -6.789 1.00 0.00 H new ATOM 0 HH TYR A 67 11.048 -1.911 -8.186 1.00 0.00 H new ATOM 1007 N LYS A 68 10.939 -0.679 0.937 1.00 0.00 N ATOM 1008 CA LYS A 68 11.038 0.283 2.028 1.00 0.00 C ATOM 1009 C LYS A 68 12.497 0.569 2.370 1.00 0.00 C ATOM 1010 O LYS A 68 12.931 1.722 2.371 1.00 0.00 O ATOM 1011 CB LYS A 68 10.307 -0.240 3.265 1.00 0.00 C ATOM 1012 CG LYS A 68 10.419 0.676 4.472 1.00 0.00 C ATOM 1013 CD LYS A 68 9.962 -0.018 5.744 1.00 0.00 C ATOM 1014 CE LYS A 68 10.406 0.743 6.984 1.00 0.00 C ATOM 1015 NZ LYS A 68 11.774 0.346 7.417 1.00 0.00 N ATOM 0 H LYS A 68 10.314 -1.464 1.123 1.00 0.00 H new ATOM 0 HA LYS A 68 10.570 1.212 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.254 -0.379 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.707 -1.220 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.452 1.004 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.817 1.570 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.876 -0.108 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.366 -1.030 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.386 1.814 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.701 0.560 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.040 0.887 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.787 -0.671 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.451 0.544 6.653 1.00 0.00 H new ATOM 1029 N LYS A 69 13.251 -0.486 2.658 1.00 0.00 N ATOM 1030 CA LYS A 69 14.662 -0.350 2.999 1.00 0.00 C ATOM 1031 C LYS A 69 15.451 0.224 1.827 1.00 0.00 C ATOM 1032 O LYS A 69 16.455 0.912 2.019 1.00 0.00 O ATOM 1033 CB LYS A 69 15.243 -1.707 3.403 1.00 0.00 C ATOM 1034 CG LYS A 69 14.922 -2.823 2.425 1.00 0.00 C ATOM 1035 CD LYS A 69 15.965 -3.926 2.474 1.00 0.00 C ATOM 1036 CE LYS A 69 17.097 -3.667 1.492 1.00 0.00 C ATOM 1037 NZ LYS A 69 18.378 -4.273 1.949 1.00 0.00 N ATOM 0 H LYS A 69 12.908 -1.447 2.662 1.00 0.00 H new ATOM 0 HA LYS A 69 14.743 0.338 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.325 -1.616 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.861 -1.977 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.941 -3.239 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.867 -2.418 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.368 -4.002 3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.495 -4.883 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.831 -4.073 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.229 -2.592 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.108 -4.133 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.680 -3.819 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.242 -5.291 2.111 1.00 0.00 H new ATOM 1051 N LEU A 70 14.991 -0.060 0.613 1.00 0.00 N ATOM 1052 CA LEU A 70 15.654 0.430 -0.590 1.00 0.00 C ATOM 1053 C LEU A 70 15.069 1.769 -1.027 1.00 0.00 C ATOM 1054 O LEU A 70 15.130 2.132 -2.203 1.00 0.00 O ATOM 1055 CB LEU A 70 15.521 -0.592 -1.721 1.00 0.00 C ATOM 1056 CG LEU A 70 16.134 -1.968 -1.459 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.677 -2.965 -2.512 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.653 -1.878 -1.431 1.00 0.00 C ATOM 0 H LEU A 70 14.162 -0.627 0.436 1.00 0.00 H new ATOM 0 HA LEU A 70 16.710 0.574 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.462 -0.724 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.983 -0.175 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 70 15.792 -2.318 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.123 -3.939 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.591 -3.051 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.989 -2.621 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.073 -2.866 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.013 -1.507 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.963 -1.196 -0.639 1.00 0.00 H new ATOM 1070 N THR A 71 14.504 2.502 -0.073 1.00 0.00 N ATOM 1071 CA THR A 71 13.909 3.801 -0.358 1.00 0.00 C ATOM 1072 C THR A 71 14.554 4.897 0.482 1.00 0.00 C ATOM 1073 O THR A 71 14.496 4.866 1.712 1.00 0.00 O ATOM 1074 CB THR A 71 12.392 3.794 -0.096 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.761 2.784 -0.892 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.781 5.151 -0.413 1.00 0.00 C ATOM 0 H THR A 71 14.446 2.217 0.905 1.00 0.00 H new ATOM 0 HA THR A 71 14.086 4.005 -1.414 1.00 0.00 H new ATOM 0 HB THR A 71 12.230 3.578 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.785 1.929 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.709 5.121 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.242 5.913 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.954 5.392 -1.462 1.00 0.00 H new ATOM 1084 N CYS A 72 15.168 5.867 -0.189 1.00 0.00 N ATOM 1085 CA CYS A 72 15.824 6.974 0.496 1.00 0.00 C ATOM 1086 C CYS A 72 14.797 7.891 1.155 1.00 0.00 C ATOM 1087 O CYS A 72 14.525 8.988 0.666 1.00 0.00 O ATOM 1088 CB CYS A 72 16.681 7.773 -0.487 1.00 0.00 C ATOM 1089 SG CYS A 72 17.707 9.059 0.295 1.00 0.00 S ATOM 0 H CYS A 72 15.225 5.908 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 72 16.466 6.559 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.330 7.085 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.028 8.242 -1.223 1.00 0.00 H new ATOM 1094 N LEU A 73 14.231 7.434 2.266 1.00 0.00 N ATOM 1095 CA LEU A 73 13.235 8.212 2.994 1.00 0.00 C ATOM 1096 C LEU A 73 13.526 9.706 2.887 1.00 0.00 C ATOM 1097 O LEU A 73 12.625 10.508 2.645 1.00 0.00 O ATOM 1098 CB LEU A 73 13.203 7.791 4.464 1.00 0.00 C ATOM 1099 CG LEU A 73 13.090 6.290 4.729 1.00 0.00 C ATOM 1100 CD1 LEU A 73 13.179 6.003 6.220 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.791 5.743 4.156 1.00 0.00 C ATOM 0 H LEU A 73 14.445 6.528 2.683 1.00 0.00 H new ATOM 0 HA LEU A 73 12.261 8.017 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.109 8.158 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.362 8.289 4.946 1.00 0.00 H new ATOM 0 HG LEU A 73 13.922 5.790 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.097 4.929 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.136 6.358 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.368 6.515 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.728 4.673 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.946 6.249 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.767 5.915 3.080 1.00 0.00 H new ATOM 1113 N GLU A 74 14.792 10.071 3.067 1.00 0.00 N ATOM 1114 CA GLU A 74 15.202 11.468 2.990 1.00 0.00 C ATOM 1115 C GLU A 74 14.450 12.194 1.878 1.00 0.00 C ATOM 1116 O GLU A 74 13.659 13.101 2.137 1.00 0.00 O ATOM 1117 CB GLU A 74 16.710 11.568 2.751 1.00 0.00 C ATOM 1118 CG GLU A 74 17.530 11.562 4.030 1.00 0.00 C ATOM 1119 CD GLU A 74 17.935 10.164 4.457 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.210 9.206 4.116 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.978 10.029 5.131 1.00 0.00 O ATOM 0 H GLU A 74 15.550 9.419 3.267 1.00 0.00 H new ATOM 0 HA GLU A 74 14.960 11.944 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.026 10.735 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.922 12.483 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.425 12.167 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.954 12.029 4.829 1.00 0.00 H new ATOM 1128 N CYS A 75 14.705 11.790 0.638 1.00 0.00 N ATOM 1129 CA CYS A 75 14.055 12.401 -0.515 1.00 0.00 C ATOM 1130 C CYS A 75 13.242 11.370 -1.292 1.00 0.00 C ATOM 1131 O CYS A 75 13.141 11.438 -2.516 1.00 0.00 O ATOM 1132 CB CYS A 75 15.097 13.043 -1.434 1.00 0.00 C ATOM 1133 SG CYS A 75 16.255 11.855 -2.187 1.00 0.00 S ATOM 0 H CYS A 75 15.358 11.041 0.406 1.00 0.00 H new ATOM 0 HA CYS A 75 13.377 13.173 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 75 14.582 13.585 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 75 15.666 13.777 -0.864 1.00 0.00 H new ATOM 1138 N MET A 76 12.665 10.415 -0.570 1.00 0.00 N ATOM 1139 CA MET A 76 11.859 9.370 -1.192 1.00 0.00 C ATOM 1140 C MET A 76 12.458 8.945 -2.529 1.00 0.00 C ATOM 1141 O MET A 76 11.783 8.971 -3.558 1.00 0.00 O ATOM 1142 CB MET A 76 10.423 9.855 -1.394 1.00 0.00 C ATOM 1143 CG MET A 76 9.700 10.174 -0.095 1.00 0.00 C ATOM 1144 SD MET A 76 9.891 8.876 1.142 1.00 0.00 S ATOM 1145 CE MET A 76 9.521 7.421 0.166 1.00 0.00 C ATOM 0 H MET A 76 12.740 10.343 0.445 1.00 0.00 H new ATOM 0 HA MET A 76 11.852 8.507 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.434 10.746 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.863 9.091 -1.934 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.081 11.113 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.640 10.322 -0.300 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.545 6.538 0.805 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.530 7.522 -0.276 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.262 7.316 -0.626 1.00 0.00 H new ATOM 1155 N ARG A 77 13.728 8.554 -2.506 1.00 0.00 N ATOM 1156 CA ARG A 77 14.417 8.125 -3.717 1.00 0.00 C ATOM 1157 C ARG A 77 14.680 6.622 -3.689 1.00 0.00 C ATOM 1158 O ARG A 77 15.678 6.165 -3.132 1.00 0.00 O ATOM 1159 CB ARG A 77 15.738 8.881 -3.873 1.00 0.00 C ATOM 1160 CG ARG A 77 16.357 8.747 -5.254 1.00 0.00 C ATOM 1161 CD ARG A 77 15.959 9.904 -6.158 1.00 0.00 C ATOM 1162 NE ARG A 77 14.557 9.826 -6.561 1.00 0.00 N ATOM 1163 CZ ARG A 77 13.835 10.883 -6.915 1.00 0.00 C ATOM 1164 NH1 ARG A 77 14.378 12.092 -6.915 1.00 0.00 N ATOM 1165 NH2 ARG A 77 12.565 10.731 -7.270 1.00 0.00 N ATOM 0 H ARG A 77 14.300 8.525 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 77 13.775 8.349 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.570 9.937 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.446 8.515 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.443 8.710 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.042 7.806 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.135 10.846 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.592 9.905 -7.045 1.00 0.00 H new ATOM 0 HE ARG A 77 14.108 8.910 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.353 12.213 -6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.820 12.901 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.143 9.802 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.011 11.543 -7.542 1.00 0.00 H new ATOM 1179 N THR A 78 13.776 5.857 -4.295 1.00 0.00 N ATOM 1180 CA THR A 78 13.909 4.407 -4.339 1.00 0.00 C ATOM 1181 C THR A 78 14.885 3.976 -5.427 1.00 0.00 C ATOM 1182 O THR A 78 15.029 4.650 -6.448 1.00 0.00 O ATOM 1183 CB THR A 78 12.549 3.726 -4.586 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.558 4.280 -3.714 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.647 2.224 -4.361 1.00 0.00 C ATOM 0 H THR A 78 12.944 6.219 -4.762 1.00 0.00 H new ATOM 0 HA THR A 78 14.293 4.096 -3.367 1.00 0.00 H new ATOM 0 HB THR A 78 12.261 3.904 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.570 3.801 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.675 1.765 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.381 1.801 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.955 2.029 -3.334 1.00 0.00 H new ATOM 1193 N PHE A 79 15.553 2.850 -5.204 1.00 0.00 N ATOM 1194 CA PHE A 79 16.517 2.329 -6.167 1.00 0.00 C ATOM 1195 C PHE A 79 16.268 0.849 -6.441 1.00 0.00 C ATOM 1196 O PHE A 79 15.319 0.261 -5.921 1.00 0.00 O ATOM 1197 CB PHE A 79 17.944 2.531 -5.653 1.00 0.00 C ATOM 1198 CG PHE A 79 18.371 3.971 -5.618 1.00 0.00 C ATOM 1199 CD1 PHE A 79 17.776 4.862 -4.740 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.367 4.432 -6.463 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.167 6.188 -4.707 1.00 0.00 C ATOM 1202 CE2 PHE A 79 19.762 5.756 -6.434 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.162 6.635 -5.554 1.00 0.00 C ATOM 0 H PHE A 79 15.445 2.280 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 79 16.393 2.879 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.023 2.113 -4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.632 1.972 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.999 4.517 -4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 79 19.840 3.749 -7.153 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.695 6.874 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 79 20.539 6.103 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.470 7.670 -5.528 1.00 0.00 H new ATOM 1213 N LYS A 80 17.125 0.252 -7.262 1.00 0.00 N ATOM 1214 CA LYS A 80 17.001 -1.159 -7.605 1.00 0.00 C ATOM 1215 C LYS A 80 17.576 -2.041 -6.502 1.00 0.00 C ATOM 1216 O LYS A 80 16.976 -3.047 -6.122 1.00 0.00 O ATOM 1217 CB LYS A 80 17.715 -1.448 -8.928 1.00 0.00 C ATOM 1218 CG LYS A 80 17.792 -2.927 -9.267 1.00 0.00 C ATOM 1219 CD LYS A 80 16.416 -3.507 -9.547 1.00 0.00 C ATOM 1220 CE LYS A 80 16.014 -3.313 -11.001 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.742 -4.245 -11.906 1.00 0.00 N ATOM 0 H LYS A 80 17.914 0.725 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 80 15.941 -1.388 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.197 -0.926 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.725 -1.041 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.432 -3.069 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.254 -3.467 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.412 -4.570 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.681 -3.031 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.940 -3.470 -11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.216 -2.284 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.292 -4.241 -12.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.732 -3.939 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.711 -5.207 -11.512 1.00 0.00 H new ATOM 1235 N SER A 81 18.741 -1.656 -5.990 1.00 0.00 N ATOM 1236 CA SER A 81 19.398 -2.413 -4.931 1.00 0.00 C ATOM 1237 C SER A 81 19.720 -1.515 -3.740 1.00 0.00 C ATOM 1238 O SER A 81 19.411 -0.324 -3.746 1.00 0.00 O ATOM 1239 CB SER A 81 20.680 -3.061 -5.458 1.00 0.00 C ATOM 1240 OG SER A 81 21.537 -2.094 -6.040 1.00 0.00 O ATOM 0 H SER A 81 19.249 -0.824 -6.291 1.00 0.00 H new ATOM 0 HA SER A 81 18.714 -3.195 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.197 -3.567 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.430 -3.822 -6.197 1.00 0.00 H new ATOM 0 HG SER A 81 22.350 -2.532 -6.368 1.00 0.00 H new ATOM 1246 N SER A 82 20.344 -2.096 -2.721 1.00 0.00 N ATOM 1247 CA SER A 82 20.706 -1.350 -1.521 1.00 0.00 C ATOM 1248 C SER A 82 22.094 -0.733 -1.663 1.00 0.00 C ATOM 1249 O SER A 82 22.410 0.267 -1.018 1.00 0.00 O ATOM 1250 CB SER A 82 20.664 -2.264 -0.295 1.00 0.00 C ATOM 1251 OG SER A 82 20.355 -1.531 0.878 1.00 0.00 O ATOM 0 H SER A 82 20.610 -3.081 -2.702 1.00 0.00 H new ATOM 0 HA SER A 82 19.982 -0.546 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.919 -3.046 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.627 -2.760 -0.174 1.00 0.00 H new ATOM 0 HG SER A 82 20.333 -2.138 1.647 1.00 0.00 H new ATOM 1257 N PHE A 83 22.919 -1.337 -2.511 1.00 0.00 N ATOM 1258 CA PHE A 83 24.274 -0.849 -2.738 1.00 0.00 C ATOM 1259 C PHE A 83 24.264 0.391 -3.627 1.00 0.00 C ATOM 1260 O PHE A 83 25.169 1.223 -3.561 1.00 0.00 O ATOM 1261 CB PHE A 83 25.132 -1.942 -3.379 1.00 0.00 C ATOM 1262 CG PHE A 83 26.504 -1.474 -3.771 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.482 -1.269 -2.810 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.817 -1.239 -5.100 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.745 -0.838 -3.168 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.079 -0.808 -5.464 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.044 -0.608 -4.497 1.00 0.00 C ATOM 0 H PHE A 83 22.673 -2.166 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 83 24.702 -0.579 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.226 -2.775 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.620 -2.323 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.254 -1.448 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.066 -1.394 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.498 -0.681 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.310 -0.628 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.031 -0.272 -4.779 1.00 0.00 H new ATOM 1277 N SER A 84 23.232 0.508 -4.457 1.00 0.00 N ATOM 1278 CA SER A 84 23.105 1.644 -5.363 1.00 0.00 C ATOM 1279 C SER A 84 22.663 2.894 -4.608 1.00 0.00 C ATOM 1280 O SER A 84 23.366 3.904 -4.593 1.00 0.00 O ATOM 1281 CB SER A 84 22.105 1.326 -6.476 1.00 0.00 C ATOM 1282 OG SER A 84 22.430 2.022 -7.667 1.00 0.00 O ATOM 0 H SER A 84 22.472 -0.170 -4.521 1.00 0.00 H new ATOM 0 HA SER A 84 24.082 1.835 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.099 0.253 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.100 1.598 -6.155 1.00 0.00 H new ATOM 0 HG SER A 84 21.777 1.801 -8.364 1.00 0.00 H new ATOM 1288 N ILE A 85 21.493 2.816 -3.983 1.00 0.00 N ATOM 1289 CA ILE A 85 20.956 3.940 -3.225 1.00 0.00 C ATOM 1290 C ILE A 85 21.952 4.421 -2.175 1.00 0.00 C ATOM 1291 O ILE A 85 21.996 5.605 -1.843 1.00 0.00 O ATOM 1292 CB ILE A 85 19.633 3.569 -2.529 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.114 4.752 -1.709 1.00 0.00 C ATOM 1294 CG2 ILE A 85 19.825 2.347 -1.644 1.00 0.00 C ATOM 1295 CD1 ILE A 85 17.808 4.469 -1.000 1.00 0.00 C ATOM 0 H ILE A 85 20.899 1.987 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 85 20.769 4.742 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 85 18.893 3.328 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.866 5.030 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.982 5.610 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.881 2.097 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.154 1.505 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.577 2.562 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.500 5.351 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.042 4.221 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.940 3.631 -0.315 1.00 0.00 H new ATOM 1307 N TRP A 86 22.751 3.494 -1.658 1.00 0.00 N ATOM 1308 CA TRP A 86 23.749 3.824 -0.647 1.00 0.00 C ATOM 1309 C TRP A 86 24.625 4.985 -1.105 1.00 0.00 C ATOM 1310 O TRP A 86 24.885 5.917 -0.343 1.00 0.00 O ATOM 1311 CB TRP A 86 24.618 2.603 -0.341 1.00 0.00 C ATOM 1312 CG TRP A 86 25.546 2.810 0.817 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.196 3.060 2.113 1.00 0.00 C ATOM 1314 CD2 TRP A 86 26.977 2.785 0.784 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.324 3.193 2.888 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.429 3.028 2.096 1.00 0.00 C ATOM 1317 CE3 TRP A 86 27.921 2.580 -0.226 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.782 3.071 2.421 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.264 2.624 0.098 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.684 2.867 1.412 1.00 0.00 C ATOM 0 H TRP A 86 22.727 2.509 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 86 23.225 4.125 0.260 1.00 0.00 H new ATOM 0 HB2 TRP A 86 23.973 1.750 -0.132 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.203 2.351 -1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.182 3.141 2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.336 3.384 3.890 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.607 2.391 -1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.108 3.259 3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.002 2.468 -0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.741 2.894 1.633 1.00 0.00 H new ATOM 1331 N ARG A 87 25.078 4.923 -2.353 1.00 0.00 N ATOM 1332 CA ARG A 87 25.926 5.969 -2.911 1.00 0.00 C ATOM 1333 C ARG A 87 25.158 7.281 -3.039 1.00 0.00 C ATOM 1334 O ARG A 87 25.739 8.364 -2.958 1.00 0.00 O ATOM 1335 CB ARG A 87 26.463 5.544 -4.279 1.00 0.00 C ATOM 1336 CG ARG A 87 27.439 4.381 -4.216 1.00 0.00 C ATOM 1337 CD ARG A 87 28.792 4.818 -3.675 1.00 0.00 C ATOM 1338 NE ARG A 87 29.656 5.348 -4.726 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.959 5.556 -4.571 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.544 5.281 -3.414 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.679 6.041 -5.575 1.00 0.00 N ATOM 0 H ARG A 87 24.872 4.159 -2.997 1.00 0.00 H new ATOM 0 HA ARG A 87 26.764 6.124 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 87 25.625 5.269 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 87 26.956 6.396 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.029 3.595 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.564 3.955 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.647 5.578 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.282 3.970 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 87 29.236 5.571 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.994 4.909 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.545 5.442 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.232 6.254 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.679 6.200 -5.455 1.00 0.00 H new ATOM 1355 N HIS A 88 23.848 7.177 -3.239 1.00 0.00 N ATOM 1356 CA HIS A 88 22.999 8.355 -3.378 1.00 0.00 C ATOM 1357 C HIS A 88 22.862 9.086 -2.046 1.00 0.00 C ATOM 1358 O HIS A 88 22.616 10.291 -2.012 1.00 0.00 O ATOM 1359 CB HIS A 88 21.619 7.956 -3.900 1.00 0.00 C ATOM 1360 CG HIS A 88 20.556 8.974 -3.619 1.00 0.00 C ATOM 1361 ND1 HIS A 88 20.275 10.023 -4.469 1.00 0.00 N ATOM 1362 CD2 HIS A 88 19.702 9.097 -2.577 1.00 0.00 C ATOM 1363 CE1 HIS A 88 19.296 10.749 -3.960 1.00 0.00 C ATOM 1364 NE2 HIS A 88 18.930 10.208 -2.812 1.00 0.00 N ATOM 0 H HIS A 88 23.351 6.289 -3.308 1.00 0.00 H new ATOM 0 HA HIS A 88 23.468 9.029 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 88 21.680 7.793 -4.976 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.330 7.006 -3.450 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.749 10.209 -5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.639 8.443 -1.720 1.00 0.00 H new ATOM 0 HE1 HIS A 88 18.868 11.634 -4.406 1.00 0.00 H new ATOM 1372 N GLN A 89 23.021 8.347 -0.952 1.00 0.00 N ATOM 1373 CA GLN A 89 22.912 8.925 0.382 1.00 0.00 C ATOM 1374 C GLN A 89 24.289 9.278 0.936 1.00 0.00 C ATOM 1375 O GLN A 89 24.408 10.062 1.877 1.00 0.00 O ATOM 1376 CB GLN A 89 22.203 7.953 1.326 1.00 0.00 C ATOM 1377 CG GLN A 89 20.845 7.495 0.819 1.00 0.00 C ATOM 1378 CD GLN A 89 20.237 6.407 1.683 1.00 0.00 C ATOM 1379 OE1 GLN A 89 20.582 5.158 1.392 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 19.465 6.686 2.601 1.00 0.00 N flip ATOM 0 H GLN A 89 23.226 7.348 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 89 22.325 9.840 0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.838 7.080 1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.077 8.430 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.167 8.348 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.947 7.128 -0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.227 7.660 2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.063 5.943 3.173 1.00 0.00 H new ATOM 1389 N VAL A 90 25.326 8.693 0.345 1.00 0.00 N ATOM 1390 CA VAL A 90 26.695 8.946 0.779 1.00 0.00 C ATOM 1391 C VAL A 90 27.361 10.006 -0.091 1.00 0.00 C ATOM 1392 O VAL A 90 28.254 10.721 0.360 1.00 0.00 O ATOM 1393 CB VAL A 90 27.542 7.660 0.742 1.00 0.00 C ATOM 1394 CG1 VAL A 90 28.978 7.954 1.150 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.932 6.594 1.640 1.00 0.00 C ATOM 0 H VAL A 90 25.244 8.041 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 90 26.640 9.306 1.806 1.00 0.00 H new ATOM 0 HB VAL A 90 27.550 7.281 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.561 7.034 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.410 8.681 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 90 28.993 8.358 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.543 5.692 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.892 6.962 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.923 6.363 1.297 1.00 0.00 H new ATOM 1405 N GLU A 91 26.919 10.100 -1.341 1.00 0.00 N ATOM 1406 CA GLU A 91 27.473 11.073 -2.276 1.00 0.00 C ATOM 1407 C GLU A 91 26.707 12.391 -2.206 1.00 0.00 C ATOM 1408 O GLU A 91 27.300 13.469 -2.249 1.00 0.00 O ATOM 1409 CB GLU A 91 27.433 10.523 -3.703 1.00 0.00 C ATOM 1410 CG GLU A 91 28.350 9.331 -3.921 1.00 0.00 C ATOM 1411 CD GLU A 91 28.785 9.187 -5.367 1.00 0.00 C ATOM 1412 OE1 GLU A 91 27.959 8.748 -6.194 1.00 0.00 O ATOM 1413 OE2 GLU A 91 29.951 9.514 -5.671 1.00 0.00 O ATOM 0 H GLU A 91 26.179 9.515 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 91 28.510 11.259 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.410 10.233 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.711 11.316 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.232 9.435 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 91 27.838 8.421 -3.607 1.00 0.00 H new ATOM 1420 N VAL A 92 25.386 12.297 -2.097 1.00 0.00 N ATOM 1421 CA VAL A 92 24.538 13.481 -2.021 1.00 0.00 C ATOM 1422 C VAL A 92 24.345 13.926 -0.576 1.00 0.00 C ATOM 1423 O VAL A 92 24.782 15.009 -0.185 1.00 0.00 O ATOM 1424 CB VAL A 92 23.159 13.225 -2.656 1.00 0.00 C ATOM 1425 CG1 VAL A 92 22.328 14.499 -2.660 1.00 0.00 C ATOM 1426 CG2 VAL A 92 23.315 12.677 -4.067 1.00 0.00 C ATOM 0 H VAL A 92 24.879 11.413 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 92 25.045 14.270 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 92 22.636 12.480 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 92 21.357 14.299 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 92 22.187 14.844 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 92 22.844 15.268 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 92 22.330 12.502 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 92 23.858 13.397 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 92 23.869 11.739 -4.034 1.00 0.00 H new ATOM 1436 N HIS A 93 23.689 13.083 0.215 1.00 0.00 N ATOM 1437 CA HIS A 93 23.438 13.389 1.619 1.00 0.00 C ATOM 1438 C HIS A 93 24.706 13.209 2.448 1.00 0.00 C ATOM 1439 O HIS A 93 24.932 13.932 3.418 1.00 0.00 O ATOM 1440 CB HIS A 93 22.325 12.496 2.167 1.00 0.00 C ATOM 1441 CG HIS A 93 21.003 12.706 1.496 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.485 12.163 0.370 1.00 0.00 N flip ATOM 1443 CD2 HIS A 93 20.041 13.567 1.982 1.00 0.00 C flip ATOM 1444 CE1 HIS A 93 19.233 12.699 0.197 1.00 0.00 C flip ATOM 1445 NE2 HIS A 93 18.989 13.543 1.184 1.00 0.00 N flip ATOM 0 H HIS A 93 23.322 12.182 -0.092 1.00 0.00 H new ATOM 0 HA HIS A 93 23.124 14.430 1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.619 11.452 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.214 12.682 3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.134 14.167 2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.558 12.468 -0.614 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.133 14.084 1.308 1.00 0.00 H new ATOM 1453 N ASN A 94 25.530 12.241 2.060 1.00 0.00 N ATOM 1454 CA ASN A 94 26.774 11.966 2.769 1.00 0.00 C ATOM 1455 C ASN A 94 26.495 11.452 4.178 1.00 0.00 C ATOM 1456 O ASN A 94 27.045 11.962 5.154 1.00 0.00 O ATOM 1457 CB ASN A 94 27.638 13.227 2.835 1.00 0.00 C ATOM 1458 CG ASN A 94 29.044 12.940 3.323 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.284 11.947 4.010 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.982 13.811 2.970 1.00 0.00 N ATOM 0 H ASN A 94 25.358 11.634 1.258 1.00 0.00 H new ATOM 0 HA ASN A 94 27.313 11.194 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.686 13.683 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.167 13.952 3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 94 30.947 13.671 3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 94 29.738 14.620 2.399 1.00 0.00 H new ATOM 1467 N GLN A 95 25.639 10.441 4.275 1.00 0.00 N ATOM 1468 CA GLN A 95 25.287 9.859 5.565 1.00 0.00 C ATOM 1469 C GLN A 95 25.819 8.435 5.683 1.00 0.00 C ATOM 1470 O GLN A 95 25.233 7.496 5.145 1.00 0.00 O ATOM 1471 CB GLN A 95 23.769 9.866 5.755 1.00 0.00 C ATOM 1472 CG GLN A 95 23.251 11.105 6.467 1.00 0.00 C ATOM 1473 CD GLN A 95 23.967 11.367 7.778 1.00 0.00 C ATOM 1474 OE1 GLN A 95 25.044 12.141 7.721 1.00 0.00 O flip ATOM 1475 NE2 GLN A 95 23.556 10.878 8.831 1.00 0.00 N flip ATOM 0 H GLN A 95 25.176 10.007 3.476 1.00 0.00 H new ATOM 0 HA GLN A 95 25.746 10.465 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.289 9.790 4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.478 8.982 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.368 11.970 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.184 10.991 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.724 10.288 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 95 24.048 11.063 9.705 1.00 0.00 H new ATOM 1484 N ASN A 96 26.934 8.281 6.390 1.00 0.00 N ATOM 1485 CA ASN A 96 27.546 6.971 6.578 1.00 0.00 C ATOM 1486 C ASN A 96 27.482 6.545 8.041 1.00 0.00 C ATOM 1487 O ASN A 96 28.444 6.004 8.584 1.00 0.00 O ATOM 1488 CB ASN A 96 29.001 6.992 6.105 1.00 0.00 C ATOM 1489 CG ASN A 96 29.751 8.216 6.595 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.753 9.259 5.942 1.00 0.00 O ATOM 1491 ND2 ASN A 96 30.392 8.092 7.751 1.00 0.00 N ATOM 0 H ASN A 96 27.432 9.048 6.842 1.00 0.00 H new ATOM 0 HA ASN A 96 26.987 6.248 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.508 6.094 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.026 6.966 5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 96 30.914 8.881 8.132 1.00 0.00 H new ATOM 0 HD22 ASN A 96 30.363 7.208 8.258 1.00 0.00 H new ATOM 1498 N ASN A 97 26.339 6.792 8.674 1.00 0.00 N ATOM 1499 CA ASN A 97 26.148 6.434 10.075 1.00 0.00 C ATOM 1500 C ASN A 97 25.646 5.000 10.206 1.00 0.00 C ATOM 1501 O ASN A 97 26.309 4.152 10.803 1.00 0.00 O ATOM 1502 CB ASN A 97 25.160 7.395 10.738 1.00 0.00 C ATOM 1503 CG ASN A 97 25.391 7.522 12.232 1.00 0.00 C ATOM 1504 OD1 ASN A 97 24.477 7.320 13.032 1.00 0.00 O ATOM 1505 ND2 ASN A 97 26.617 7.859 12.614 1.00 0.00 N ATOM 0 H ASN A 97 25.532 7.238 8.239 1.00 0.00 H new ATOM 0 HA ASN A 97 27.112 6.510 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 97 25.247 8.378 10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 97 24.143 7.047 10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 97 26.832 7.960 13.606 1.00 0.00 H new ATOM 0 HD22 ASN A 97 27.344 8.017 11.916 1.00 0.00 H new ATOM 1512 N MET A 98 24.471 4.736 9.644 1.00 0.00 N ATOM 1513 CA MET A 98 23.881 3.404 9.696 1.00 0.00 C ATOM 1514 C MET A 98 24.007 2.699 8.349 1.00 0.00 C ATOM 1515 O MET A 98 23.489 3.175 7.339 1.00 0.00 O ATOM 1516 CB MET A 98 22.409 3.490 10.104 1.00 0.00 C ATOM 1517 CG MET A 98 22.189 3.431 11.607 1.00 0.00 C ATOM 1518 SD MET A 98 20.547 2.831 12.046 1.00 0.00 S ATOM 1519 CE MET A 98 20.549 1.227 11.248 1.00 0.00 C ATOM 0 H MET A 98 23.909 5.427 9.147 1.00 0.00 H new ATOM 0 HA MET A 98 24.424 2.823 10.442 1.00 0.00 H new ATOM 0 HB2 MET A 98 21.988 4.419 9.720 1.00 0.00 H new ATOM 0 HB3 MET A 98 21.862 2.673 9.633 1.00 0.00 H new ATOM 0 HG2 MET A 98 22.941 2.781 12.055 1.00 0.00 H new ATOM 0 HG3 MET A 98 22.334 4.425 12.031 1.00 0.00 H new ATOM 0 HE1 MET A 98 19.973 0.522 11.847 1.00 0.00 H new ATOM 0 HE2 MET A 98 20.101 1.313 10.258 1.00 0.00 H new ATOM 0 HE3 MET A 98 21.574 0.870 11.152 1.00 0.00 H new ATOM 1529 N ALA A 99 24.699 1.565 8.342 1.00 0.00 N ATOM 1530 CA ALA A 99 24.891 0.795 7.119 1.00 0.00 C ATOM 1531 C ALA A 99 24.486 -0.662 7.318 1.00 0.00 C ATOM 1532 O ALA A 99 24.535 -1.199 8.425 1.00 0.00 O ATOM 1533 CB ALA A 99 26.340 0.884 6.662 1.00 0.00 C ATOM 0 H ALA A 99 25.136 1.159 9.169 1.00 0.00 H new ATOM 0 HA ALA A 99 24.250 1.221 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 99 26.469 0.305 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 99 26.598 1.926 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 99 26.992 0.486 7.439 1.00 0.00 H new ATOM 1539 N PRO A 100 24.074 -1.317 6.223 1.00 0.00 N ATOM 1540 CA PRO A 100 23.652 -2.720 6.251 1.00 0.00 C ATOM 1541 C PRO A 100 24.817 -3.671 6.502 1.00 0.00 C ATOM 1542 O PRO A 100 24.658 -4.892 6.455 1.00 0.00 O ATOM 1543 CB PRO A 100 23.070 -2.944 4.854 1.00 0.00 C ATOM 1544 CG PRO A 100 23.750 -1.936 3.994 1.00 0.00 C ATOM 1545 CD PRO A 100 23.990 -0.738 4.871 1.00 0.00 C ATOM 0 HA PRO A 100 22.946 -2.917 7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 100 23.262 -3.958 4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 100 21.989 -2.804 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 100 24.689 -2.327 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 100 23.131 -1.674 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 100 24.908 -0.218 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 100 23.179 -0.014 4.793 1.00 0.00 H new ATOM 1553 N THR A 101 25.990 -3.106 6.769 1.00 0.00 N ATOM 1554 CA THR A 101 27.182 -3.903 7.027 1.00 0.00 C ATOM 1555 C THR A 101 27.248 -4.338 8.486 1.00 0.00 C ATOM 1556 O THR A 101 27.125 -3.517 9.395 1.00 0.00 O ATOM 1557 CB THR A 101 28.465 -3.125 6.677 1.00 0.00 C ATOM 1558 OG1 THR A 101 28.607 -1.997 7.548 1.00 0.00 O ATOM 1559 CG2 THR A 101 28.435 -2.655 5.230 1.00 0.00 C ATOM 0 H THR A 101 26.140 -2.098 6.812 1.00 0.00 H new ATOM 0 HA THR A 101 27.115 -4.785 6.390 1.00 0.00 H new ATOM 0 HB THR A 101 29.316 -3.793 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 101 28.130 -2.169 8.387 1.00 0.00 H new ATOM 0 HG21 THR A 101 29.351 -2.108 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.357 -3.518 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.576 -2.002 5.077 1.00 0.00 H new ATOM 1567 N SER A 102 27.443 -5.635 8.704 1.00 0.00 N ATOM 1568 CA SER A 102 27.522 -6.180 10.054 1.00 0.00 C ATOM 1569 C SER A 102 27.869 -7.665 10.021 1.00 0.00 C ATOM 1570 O SER A 102 27.080 -8.489 9.561 1.00 0.00 O ATOM 1571 CB SER A 102 26.196 -5.971 10.789 1.00 0.00 C ATOM 1572 OG SER A 102 26.404 -5.830 12.184 1.00 0.00 O ATOM 0 H SER A 102 27.549 -6.328 7.963 1.00 0.00 H new ATOM 0 HA SER A 102 28.313 -5.652 10.587 1.00 0.00 H new ATOM 0 HB2 SER A 102 25.697 -5.083 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 102 25.534 -6.816 10.600 1.00 0.00 H new ATOM 0 HG SER A 102 25.542 -5.696 12.631 1.00 0.00 H new ATOM 1578 N GLY A 103 29.059 -7.999 10.514 1.00 0.00 N ATOM 1579 CA GLY A 103 29.492 -9.384 10.531 1.00 0.00 C ATOM 1580 C GLY A 103 28.763 -10.206 11.577 1.00 0.00 C ATOM 1581 O GLY A 103 28.915 -9.994 12.780 1.00 0.00 O ATOM 0 H GLY A 103 29.730 -7.335 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.328 -9.825 9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 103 30.564 -9.424 10.724 1.00 0.00 H new ATOM 1585 N PRO A 104 27.950 -11.169 11.117 1.00 0.00 N ATOM 1586 CA PRO A 104 27.179 -12.044 12.005 1.00 0.00 C ATOM 1587 C PRO A 104 28.066 -13.021 12.769 1.00 0.00 C ATOM 1588 O PRO A 104 29.066 -13.509 12.243 1.00 0.00 O ATOM 1589 CB PRO A 104 26.255 -12.798 11.045 1.00 0.00 C ATOM 1590 CG PRO A 104 26.971 -12.780 9.739 1.00 0.00 C ATOM 1591 CD PRO A 104 27.722 -11.478 9.696 1.00 0.00 C ATOM 0 HA PRO A 104 26.650 -11.481 12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 104 26.078 -13.818 11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.282 -12.313 10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.653 -13.627 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 104 26.269 -12.853 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.660 -11.573 9.150 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.144 -10.697 9.203 1.00 0.00 H new ATOM 1599 N SER A 105 27.692 -13.303 14.014 1.00 0.00 N ATOM 1600 CA SER A 105 28.456 -14.220 14.852 1.00 0.00 C ATOM 1601 C SER A 105 28.228 -15.666 14.422 1.00 0.00 C ATOM 1602 O SER A 105 27.089 -16.117 14.297 1.00 0.00 O ATOM 1603 CB SER A 105 28.067 -14.046 16.321 1.00 0.00 C ATOM 1604 OG SER A 105 29.067 -14.568 17.178 1.00 0.00 O ATOM 0 H SER A 105 26.865 -12.910 14.464 1.00 0.00 H new ATOM 0 HA SER A 105 29.514 -13.986 14.733 1.00 0.00 H new ATOM 0 HB2 SER A 105 27.914 -12.989 16.537 1.00 0.00 H new ATOM 0 HB3 SER A 105 27.120 -14.551 16.512 1.00 0.00 H new ATOM 0 HG SER A 105 28.796 -14.443 18.111 1.00 0.00 H new ATOM 1610 N SER A 106 29.321 -16.389 14.197 1.00 0.00 N ATOM 1611 CA SER A 106 29.242 -17.783 13.777 1.00 0.00 C ATOM 1612 C SER A 106 30.339 -18.613 14.438 1.00 0.00 C ATOM 1613 O SER A 106 31.497 -18.201 14.493 1.00 0.00 O ATOM 1614 CB SER A 106 29.357 -17.887 12.255 1.00 0.00 C ATOM 1615 OG SER A 106 29.233 -19.232 11.825 1.00 0.00 O ATOM 0 H SER A 106 30.271 -16.032 14.299 1.00 0.00 H new ATOM 0 HA SER A 106 28.274 -18.176 14.089 1.00 0.00 H new ATOM 0 HB2 SER A 106 28.583 -17.279 11.786 1.00 0.00 H new ATOM 0 HB3 SER A 106 30.317 -17.485 11.931 1.00 0.00 H new ATOM 0 HG SER A 106 29.308 -19.272 10.849 1.00 0.00 H new ATOM 1621 N GLY A 107 29.964 -19.785 14.941 1.00 0.00 N ATOM 1622 CA GLY A 107 30.926 -20.655 15.593 1.00 0.00 C ATOM 1623 C GLY A 107 30.396 -21.237 16.888 1.00 0.00 C ATOM 1624 O GLY A 107 29.479 -22.057 16.846 1.00 0.00 O ATOM 0 H GLY A 107 29.011 -20.148 14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 107 31.194 -21.466 14.917 1.00 0.00 H new ATOM 0 HA3 GLY A 107 31.839 -20.095 15.797 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -10.731 -2.849 -6.024 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 6.046 -1.127 -0.710 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 17.942 11.056 -0.830 1.00 0.00 ZN