USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 30 HIS HE2 : A 30 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD Set 1.1: A 75 HIS : no HD1:sc= -1.61 K(o=-3.4,f=-6!) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.82 K(o=-3.4,f=-2.5) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.657 K(o=-0.66,f=-6.4!) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0584 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.889 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -2.15 K(o=-2.1,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.00047) USER MOD Single : A 49 ASN : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.85) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.45) USER MOD Single : A 64 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.47) USER MOD Single : A 71 ASN : amide:sc= -0.661 K(o=-0.66,f=-3.2!) USER MOD Single : A 78 ASN : amide:sc= -0.0895 X(o=-0.089,f=-0.017) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.2) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 20:sc= 0.599 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.483 28.698 -15.090 1.00 0.00 N ATOM 2 CA GLY A 1 -26.646 27.978 -13.840 1.00 0.00 C ATOM 3 C GLY A 1 -25.353 27.349 -13.361 1.00 0.00 C ATOM 4 O GLY A 1 -24.267 27.753 -13.775 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.831 29.672 -14.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.476 28.718 -15.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.025 28.221 -15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.019 28.661 -13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.399 27.201 -13.968 1.00 0.00 H new ATOM 8 N SER A 2 -25.469 26.357 -12.484 1.00 0.00 N ATOM 9 CA SER A 2 -24.300 25.674 -11.943 1.00 0.00 C ATOM 10 C SER A 2 -24.687 24.322 -11.350 1.00 0.00 C ATOM 11 O SER A 2 -25.862 23.957 -11.323 1.00 0.00 O ATOM 12 CB SER A 2 -23.627 26.538 -10.875 1.00 0.00 C ATOM 13 OG SER A 2 -22.730 27.465 -11.460 1.00 0.00 O ATOM 0 H SER A 2 -26.361 26.008 -12.133 1.00 0.00 H new ATOM 0 HA SER A 2 -23.598 25.506 -12.760 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.386 27.073 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.090 25.901 -10.173 1.00 0.00 H new ATOM 0 HG SER A 2 -23.059 27.724 -12.346 1.00 0.00 H new ATOM 19 N SER A 3 -23.688 23.583 -10.877 1.00 0.00 N ATOM 20 CA SER A 3 -23.921 22.270 -10.288 1.00 0.00 C ATOM 21 C SER A 3 -22.817 21.915 -9.297 1.00 0.00 C ATOM 22 O SER A 3 -21.865 22.672 -9.114 1.00 0.00 O ATOM 23 CB SER A 3 -24.003 21.204 -11.382 1.00 0.00 C ATOM 24 OG SER A 3 -24.815 20.117 -10.976 1.00 0.00 O ATOM 0 H SER A 3 -22.710 23.872 -10.890 1.00 0.00 H new ATOM 0 HA SER A 3 -24.869 22.303 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.408 21.644 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.002 20.845 -11.620 1.00 0.00 H new ATOM 0 HG SER A 3 -24.852 19.451 -11.694 1.00 0.00 H new ATOM 30 N GLY A 4 -22.951 20.755 -8.660 1.00 0.00 N ATOM 31 CA GLY A 4 -21.959 20.319 -7.696 1.00 0.00 C ATOM 32 C GLY A 4 -21.443 18.923 -7.986 1.00 0.00 C ATOM 33 O GLY A 4 -21.553 18.435 -9.110 1.00 0.00 O ATOM 0 H GLY A 4 -23.729 20.110 -8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.124 21.019 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.393 20.342 -6.697 1.00 0.00 H new ATOM 37 N SER A 5 -20.878 18.280 -6.969 1.00 0.00 N ATOM 38 CA SER A 5 -20.339 16.934 -7.122 1.00 0.00 C ATOM 39 C SER A 5 -20.380 16.179 -5.797 1.00 0.00 C ATOM 40 O SER A 5 -20.396 16.784 -4.725 1.00 0.00 O ATOM 41 CB SER A 5 -18.902 16.993 -7.643 1.00 0.00 C ATOM 42 OG SER A 5 -18.595 15.851 -8.424 1.00 0.00 O ATOM 0 H SER A 5 -20.782 18.669 -6.031 1.00 0.00 H new ATOM 0 HA SER A 5 -20.958 16.401 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.766 17.894 -8.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.210 17.060 -6.804 1.00 0.00 H new ATOM 0 HG SER A 5 -17.672 15.914 -8.746 1.00 0.00 H new ATOM 48 N SER A 6 -20.397 14.852 -5.879 1.00 0.00 N ATOM 49 CA SER A 6 -20.440 14.013 -4.687 1.00 0.00 C ATOM 50 C SER A 6 -19.273 13.030 -4.673 1.00 0.00 C ATOM 51 O SER A 6 -18.467 12.992 -5.601 1.00 0.00 O ATOM 52 CB SER A 6 -21.764 13.250 -4.622 1.00 0.00 C ATOM 53 OG SER A 6 -21.846 12.281 -5.653 1.00 0.00 O ATOM 0 H SER A 6 -20.382 14.335 -6.758 1.00 0.00 H new ATOM 0 HA SER A 6 -20.359 14.660 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.859 12.762 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.595 13.950 -4.709 1.00 0.00 H new ATOM 0 HG SER A 6 -22.701 11.806 -5.588 1.00 0.00 H new ATOM 59 N GLY A 7 -19.190 12.235 -3.610 1.00 0.00 N ATOM 60 CA GLY A 7 -18.119 11.262 -3.493 1.00 0.00 C ATOM 61 C GLY A 7 -18.498 10.087 -2.614 1.00 0.00 C ATOM 62 O GLY A 7 -19.050 10.250 -1.526 1.00 0.00 O ATOM 0 H GLY A 7 -19.845 12.247 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.852 10.898 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.234 11.748 -3.083 1.00 0.00 H new ATOM 66 N PRO A 8 -18.199 8.868 -3.088 1.00 0.00 N ATOM 67 CA PRO A 8 -18.504 7.636 -2.353 1.00 0.00 C ATOM 68 C PRO A 8 -17.635 7.473 -1.110 1.00 0.00 C ATOM 69 O PRO A 8 -16.869 8.368 -0.756 1.00 0.00 O ATOM 70 CB PRO A 8 -18.197 6.533 -3.369 1.00 0.00 C ATOM 71 CG PRO A 8 -17.198 7.137 -4.294 1.00 0.00 C ATOM 72 CD PRO A 8 -17.541 8.598 -4.377 1.00 0.00 C ATOM 0 HA PRO A 8 -19.530 7.623 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.797 5.645 -2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.096 6.226 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.184 6.995 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.244 6.669 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.651 9.213 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.202 8.808 -5.218 1.00 0.00 H new ATOM 80 N GLU A 9 -17.761 6.324 -0.453 1.00 0.00 N ATOM 81 CA GLU A 9 -16.987 6.045 0.751 1.00 0.00 C ATOM 82 C GLU A 9 -16.379 4.647 0.695 1.00 0.00 C ATOM 83 O GLU A 9 -17.006 3.704 0.209 1.00 0.00 O ATOM 84 CB GLU A 9 -17.869 6.181 1.994 1.00 0.00 C ATOM 85 CG GLU A 9 -17.083 6.359 3.282 1.00 0.00 C ATOM 86 CD GLU A 9 -17.919 6.956 4.398 1.00 0.00 C ATOM 87 OE1 GLU A 9 -18.527 8.024 4.178 1.00 0.00 O ATOM 88 OE2 GLU A 9 -17.965 6.353 5.491 1.00 0.00 O ATOM 0 H GLU A 9 -18.391 5.572 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.177 6.772 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.536 7.034 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.498 5.295 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.693 5.393 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.224 7.002 3.093 1.00 0.00 H new ATOM 95 N LEU A 10 -15.155 4.520 1.195 1.00 0.00 N ATOM 96 CA LEU A 10 -14.460 3.237 1.202 1.00 0.00 C ATOM 97 C LEU A 10 -13.674 3.051 2.496 1.00 0.00 C ATOM 98 O LEU A 10 -13.458 4.003 3.247 1.00 0.00 O ATOM 99 CB LEU A 10 -13.519 3.138 0.000 1.00 0.00 C ATOM 100 CG LEU A 10 -14.150 2.661 -1.308 1.00 0.00 C ATOM 101 CD1 LEU A 10 -13.160 2.791 -2.456 1.00 0.00 C ATOM 102 CD2 LEU A 10 -14.630 1.223 -1.176 1.00 0.00 C ATOM 0 H LEU A 10 -14.623 5.290 1.601 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.207 2.446 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.075 4.119 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.705 2.460 0.256 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.012 3.292 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.626 2.447 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.865 3.835 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.279 2.185 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.076 0.901 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.785 0.578 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.373 1.159 -0.381 1.00 0.00 H new ATOM 114 N LYS A 11 -13.244 1.820 2.749 1.00 0.00 N ATOM 115 CA LYS A 11 -12.478 1.508 3.949 1.00 0.00 C ATOM 116 C LYS A 11 -11.112 0.932 3.589 1.00 0.00 C ATOM 117 O LYS A 11 -10.906 0.447 2.476 1.00 0.00 O ATOM 118 CB LYS A 11 -13.246 0.516 4.826 1.00 0.00 C ATOM 119 CG LYS A 11 -13.330 -0.880 4.235 1.00 0.00 C ATOM 120 CD LYS A 11 -14.495 -1.663 4.817 1.00 0.00 C ATOM 121 CE LYS A 11 -15.818 -1.235 4.199 1.00 0.00 C ATOM 122 NZ LYS A 11 -16.972 -1.954 4.807 1.00 0.00 N ATOM 0 H LYS A 11 -13.413 1.021 2.138 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.327 2.434 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.765 0.460 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.255 0.894 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.441 -0.812 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.399 -1.414 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.340 -2.728 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.531 -1.515 5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.949 -0.161 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.796 -1.425 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.855 -1.635 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.860 -2.977 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.008 -1.752 5.827 1.00 0.00 H new ATOM 136 N CYS A 12 -10.183 0.987 4.537 1.00 0.00 N ATOM 137 CA CYS A 12 -8.837 0.470 4.320 1.00 0.00 C ATOM 138 C CYS A 12 -8.875 -0.825 3.514 1.00 0.00 C ATOM 139 O CYS A 12 -9.230 -1.890 4.020 1.00 0.00 O ATOM 140 CB CYS A 12 -8.139 0.229 5.660 1.00 0.00 C ATOM 141 SG CYS A 12 -6.534 -0.621 5.520 1.00 0.00 S ATOM 0 H CYS A 12 -10.338 1.385 5.464 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.276 1.213 3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.988 1.188 6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.796 -0.361 6.299 1.00 0.00 H new ATOM 146 N PRO A 13 -8.501 -0.734 2.230 1.00 0.00 N ATOM 147 CA PRO A 13 -8.482 -1.889 1.326 1.00 0.00 C ATOM 148 C PRO A 13 -7.381 -2.883 1.679 1.00 0.00 C ATOM 149 O PRO A 13 -7.373 -4.014 1.193 1.00 0.00 O ATOM 150 CB PRO A 13 -8.218 -1.262 -0.045 1.00 0.00 C ATOM 151 CG PRO A 13 -7.508 0.014 0.252 1.00 0.00 C ATOM 152 CD PRO A 13 -8.065 0.503 1.560 1.00 0.00 C ATOM 0 HA PRO A 13 -9.408 -2.462 1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.610 -1.917 -0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.148 -1.081 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.432 -0.145 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.672 0.745 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.312 1.032 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.896 1.193 1.410 1.00 0.00 H new ATOM 160 N VAL A 14 -6.453 -2.454 2.528 1.00 0.00 N ATOM 161 CA VAL A 14 -5.347 -3.308 2.947 1.00 0.00 C ATOM 162 C VAL A 14 -5.838 -4.446 3.835 1.00 0.00 C ATOM 163 O VAL A 14 -6.330 -4.216 4.940 1.00 0.00 O ATOM 164 CB VAL A 14 -4.274 -2.505 3.705 1.00 0.00 C ATOM 165 CG1 VAL A 14 -3.038 -3.359 3.945 1.00 0.00 C ATOM 166 CG2 VAL A 14 -3.918 -1.239 2.942 1.00 0.00 C ATOM 0 H VAL A 14 -6.445 -1.521 2.939 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.906 -3.723 2.041 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.679 -2.215 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.291 -2.775 4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.309 -4.233 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.627 -3.682 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.158 -0.684 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.532 -1.504 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.808 -0.620 2.828 1.00 0.00 H new ATOM 176 N ILE A 15 -5.700 -5.673 3.345 1.00 0.00 N ATOM 177 CA ILE A 15 -6.128 -6.847 4.095 1.00 0.00 C ATOM 178 C ILE A 15 -5.389 -6.949 5.426 1.00 0.00 C ATOM 179 O ILE A 15 -4.256 -6.488 5.555 1.00 0.00 O ATOM 180 CB ILE A 15 -5.899 -8.142 3.294 1.00 0.00 C ATOM 181 CG1 ILE A 15 -6.579 -8.048 1.926 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.419 -9.344 4.069 1.00 0.00 C ATOM 183 CD1 ILE A 15 -8.088 -8.128 1.995 1.00 0.00 C ATOM 0 H ILE A 15 -5.295 -5.880 2.432 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.195 -6.729 4.282 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.828 -8.271 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.294 -7.109 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.209 -8.852 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.250 -10.252 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.893 -9.418 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.487 -9.224 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.503 -8.055 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.382 -9.078 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.468 -7.309 2.605 1.00 0.00 H new ATOM 195 N GLY A 16 -6.040 -7.557 6.413 1.00 0.00 N ATOM 196 CA GLY A 16 -5.429 -7.710 7.720 1.00 0.00 C ATOM 197 C GLY A 16 -5.555 -6.460 8.569 1.00 0.00 C ATOM 198 O GLY A 16 -5.742 -6.541 9.783 1.00 0.00 O ATOM 0 H GLY A 16 -6.979 -7.946 6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.895 -8.547 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.375 -7.958 7.598 1.00 0.00 H new ATOM 202 N CYS A 17 -5.450 -5.300 7.930 1.00 0.00 N ATOM 203 CA CYS A 17 -5.551 -4.027 8.633 1.00 0.00 C ATOM 204 C CYS A 17 -6.988 -3.760 9.072 1.00 0.00 C ATOM 205 O CYS A 17 -7.938 -4.121 8.376 1.00 0.00 O ATOM 206 CB CYS A 17 -5.059 -2.886 7.740 1.00 0.00 C ATOM 207 SG CYS A 17 -4.547 -1.395 8.652 1.00 0.00 S ATOM 0 H CYS A 17 -5.295 -5.215 6.925 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.922 -4.081 9.522 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.218 -3.242 7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.852 -2.617 7.042 1.00 0.00 H new ATOM 212 N ASP A 18 -7.139 -3.127 10.229 1.00 0.00 N ATOM 213 CA ASP A 18 -8.460 -2.810 10.761 1.00 0.00 C ATOM 214 C ASP A 18 -8.800 -1.341 10.532 1.00 0.00 C ATOM 215 O ASP A 18 -9.523 -0.731 11.318 1.00 0.00 O ATOM 216 CB ASP A 18 -8.523 -3.134 12.255 1.00 0.00 C ATOM 217 CG ASP A 18 -9.913 -3.540 12.701 1.00 0.00 C ATOM 218 OD1 ASP A 18 -10.271 -4.723 12.526 1.00 0.00 O ATOM 219 OD2 ASP A 18 -10.645 -2.673 13.225 1.00 0.00 O ATOM 0 H ASP A 18 -6.363 -2.823 10.817 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.193 -3.420 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.823 -3.939 12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.201 -2.263 12.826 1.00 0.00 H new ATOM 224 N GLY A 19 -8.272 -0.778 9.449 1.00 0.00 N ATOM 225 CA GLY A 19 -8.531 0.615 9.136 1.00 0.00 C ATOM 226 C GLY A 19 -8.442 1.509 10.356 1.00 0.00 C ATOM 227 O GLY A 19 -9.091 2.553 10.417 1.00 0.00 O ATOM 0 H GLY A 19 -7.670 -1.262 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.816 0.955 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.523 0.707 8.694 1.00 0.00 H new ATOM 231 N GLN A 20 -7.637 1.099 11.332 1.00 0.00 N ATOM 232 CA GLN A 20 -7.469 1.870 12.557 1.00 0.00 C ATOM 233 C GLN A 20 -6.108 2.559 12.584 1.00 0.00 C ATOM 234 O GLN A 20 -5.154 2.097 11.960 1.00 0.00 O ATOM 235 CB GLN A 20 -7.618 0.963 13.780 1.00 0.00 C ATOM 236 CG GLN A 20 -6.614 -0.178 13.818 1.00 0.00 C ATOM 237 CD GLN A 20 -5.310 0.214 14.483 1.00 0.00 C ATOM 238 OE1 GLN A 20 -4.390 0.708 13.830 1.00 0.00 O ATOM 239 NE2 GLN A 20 -5.223 -0.004 15.790 1.00 0.00 N ATOM 0 H GLN A 20 -7.092 0.238 11.297 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.245 2.635 12.584 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.507 1.564 14.683 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.626 0.549 13.794 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.050 -1.023 14.351 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.412 -0.513 12.801 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.010 -0.416 16.292 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.369 0.240 16.292 1.00 0.00 H new ATOM 248 N GLY A 21 -6.027 3.670 13.311 1.00 0.00 N ATOM 249 CA GLY A 21 -4.779 4.405 13.405 1.00 0.00 C ATOM 250 C GLY A 21 -4.479 5.201 12.150 1.00 0.00 C ATOM 251 O GLY A 21 -5.237 5.154 11.181 1.00 0.00 O ATOM 0 H GLY A 21 -6.803 4.074 13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.823 5.081 14.259 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.963 3.707 13.593 1.00 0.00 H new ATOM 255 N HIS A 22 -3.372 5.935 12.168 1.00 0.00 N ATOM 256 CA HIS A 22 -2.974 6.746 11.022 1.00 0.00 C ATOM 257 C HIS A 22 -1.457 6.752 10.861 1.00 0.00 C ATOM 258 O HIS A 22 -0.720 6.887 11.839 1.00 0.00 O ATOM 259 CB HIS A 22 -3.487 8.178 11.181 1.00 0.00 C ATOM 260 CG HIS A 22 -3.593 8.923 9.887 1.00 0.00 C ATOM 261 ND1 HIS A 22 -2.537 9.612 9.327 1.00 0.00 N ATOM 262 CD2 HIS A 22 -4.637 9.085 9.041 1.00 0.00 C ATOM 263 CE1 HIS A 22 -2.928 10.166 8.193 1.00 0.00 C ATOM 264 NE2 HIS A 22 -4.198 9.861 7.996 1.00 0.00 N ATOM 0 H HIS A 22 -2.734 5.986 12.963 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.415 6.307 10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.467 8.153 11.658 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.820 8.722 11.850 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.630 8.680 9.165 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -2.314 10.766 7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.761 10.154 7.198 1.00 0.00 H new ATOM 272 N ILE A 23 -0.998 6.603 9.623 1.00 0.00 N ATOM 273 CA ILE A 23 0.431 6.592 9.335 1.00 0.00 C ATOM 274 C ILE A 23 1.125 7.803 9.948 1.00 0.00 C ATOM 275 O ILE A 23 2.251 7.705 10.437 1.00 0.00 O ATOM 276 CB ILE A 23 0.700 6.573 7.819 1.00 0.00 C ATOM 277 CG1 ILE A 23 2.205 6.573 7.546 1.00 0.00 C ATOM 278 CG2 ILE A 23 0.034 7.765 7.148 1.00 0.00 C ATOM 279 CD1 ILE A 23 2.564 6.147 6.139 1.00 0.00 C ATOM 0 H ILE A 23 -1.595 6.488 8.804 1.00 0.00 H new ATOM 0 HA ILE A 23 0.835 5.682 9.779 1.00 0.00 H new ATOM 0 HB ILE A 23 0.274 5.661 7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.599 7.573 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.695 5.906 8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.233 7.738 6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.042 7.724 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.433 8.689 7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.647 6.171 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.201 5.135 5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.103 6.828 5.424 1.00 0.00 H new ATOM 291 N SER A 24 0.446 8.945 9.920 1.00 0.00 N ATOM 292 CA SER A 24 0.998 10.177 10.470 1.00 0.00 C ATOM 293 C SER A 24 1.073 10.106 11.993 1.00 0.00 C ATOM 294 O SER A 24 2.070 10.502 12.595 1.00 0.00 O ATOM 295 CB SER A 24 0.147 11.376 10.047 1.00 0.00 C ATOM 296 OG SER A 24 0.280 11.631 8.659 1.00 0.00 O ATOM 0 H SER A 24 -0.488 9.043 9.522 1.00 0.00 H new ATOM 0 HA SER A 24 2.008 10.300 10.078 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.899 11.186 10.287 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.448 12.258 10.613 1.00 0.00 H new ATOM 0 HG SER A 24 -0.275 12.401 8.413 1.00 0.00 H new ATOM 302 N GLY A 25 0.011 9.596 12.608 1.00 0.00 N ATOM 303 CA GLY A 25 -0.024 9.481 14.055 1.00 0.00 C ATOM 304 C GLY A 25 -1.054 10.398 14.684 1.00 0.00 C ATOM 305 O GLY A 25 -1.690 10.042 15.676 1.00 0.00 O ATOM 0 H GLY A 25 -0.826 9.260 12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.245 8.449 14.329 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.961 9.715 14.459 1.00 0.00 H new ATOM 309 N LYS A 26 -1.218 11.585 14.109 1.00 0.00 N ATOM 310 CA LYS A 26 -2.177 12.557 14.619 1.00 0.00 C ATOM 311 C LYS A 26 -3.574 11.950 14.706 1.00 0.00 C ATOM 312 O LYS A 26 -4.238 12.043 15.738 1.00 0.00 O ATOM 313 CB LYS A 26 -2.203 13.797 13.722 1.00 0.00 C ATOM 314 CG LYS A 26 -1.039 14.744 13.959 1.00 0.00 C ATOM 315 CD LYS A 26 -1.262 16.083 13.277 1.00 0.00 C ATOM 316 CE LYS A 26 -0.054 16.995 13.431 1.00 0.00 C ATOM 317 NZ LYS A 26 0.932 16.800 12.332 1.00 0.00 N ATOM 0 H LYS A 26 -0.698 11.897 13.289 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.864 12.847 15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.197 13.481 12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.137 14.334 13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.906 14.898 15.030 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.120 14.293 13.585 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.466 15.924 12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.141 16.567 13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.383 18.034 13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.427 16.801 14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.740 17.439 12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.265 15.815 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.480 17.010 11.419 1.00 0.00 H new ATOM 331 N TYR A 27 -4.012 11.329 13.617 1.00 0.00 N ATOM 332 CA TYR A 27 -5.330 10.707 13.570 1.00 0.00 C ATOM 333 C TYR A 27 -5.265 9.255 14.033 1.00 0.00 C ATOM 334 O TYR A 27 -4.279 8.557 13.793 1.00 0.00 O ATOM 335 CB TYR A 27 -5.900 10.777 12.153 1.00 0.00 C ATOM 336 CG TYR A 27 -6.113 12.188 11.654 1.00 0.00 C ATOM 337 CD1 TYR A 27 -5.041 12.966 11.233 1.00 0.00 C ATOM 338 CD2 TYR A 27 -7.385 12.745 11.604 1.00 0.00 C ATOM 339 CE1 TYR A 27 -5.230 14.256 10.778 1.00 0.00 C ATOM 340 CE2 TYR A 27 -7.584 14.033 11.149 1.00 0.00 C ATOM 341 CZ TYR A 27 -6.503 14.785 10.737 1.00 0.00 C ATOM 342 OH TYR A 27 -6.697 16.070 10.284 1.00 0.00 O ATOM 0 H TYR A 27 -3.474 11.243 12.755 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.986 11.255 14.246 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.224 10.258 11.473 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.850 10.244 12.126 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.043 12.555 11.262 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.233 12.160 11.927 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.386 14.847 10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.580 14.450 11.116 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.652 16.288 10.318 1.00 0.00 H new ATOM 352 N THR A 28 -6.323 8.805 14.700 1.00 0.00 N ATOM 353 CA THR A 28 -6.388 7.436 15.198 1.00 0.00 C ATOM 354 C THR A 28 -7.325 6.586 14.349 1.00 0.00 C ATOM 355 O THR A 28 -7.989 5.682 14.856 1.00 0.00 O ATOM 356 CB THR A 28 -6.860 7.394 16.663 1.00 0.00 C ATOM 357 OG1 THR A 28 -8.182 7.933 16.768 1.00 0.00 O ATOM 358 CG2 THR A 28 -5.914 8.178 17.560 1.00 0.00 C ATOM 0 H THR A 28 -7.147 9.369 14.908 1.00 0.00 H new ATOM 0 HA THR A 28 -5.379 7.029 15.137 1.00 0.00 H new ATOM 0 HB THR A 28 -6.866 6.354 16.989 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.475 7.901 17.703 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.269 8.134 18.590 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.915 7.746 17.501 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.880 9.217 17.233 1.00 0.00 H new ATOM 366 N SER A 29 -7.374 6.880 13.053 1.00 0.00 N ATOM 367 CA SER A 29 -8.234 6.144 12.134 1.00 0.00 C ATOM 368 C SER A 29 -7.878 6.462 10.685 1.00 0.00 C ATOM 369 O SER A 29 -7.282 7.500 10.393 1.00 0.00 O ATOM 370 CB SER A 29 -9.703 6.480 12.396 1.00 0.00 C ATOM 371 OG SER A 29 -9.961 7.854 12.164 1.00 0.00 O ATOM 0 H SER A 29 -6.828 7.623 12.616 1.00 0.00 H new ATOM 0 HA SER A 29 -8.077 5.079 12.303 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.339 5.873 11.751 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.959 6.227 13.425 1.00 0.00 H new ATOM 0 HG SER A 29 -10.907 8.043 12.337 1.00 0.00 H new ATOM 377 N HIS A 30 -8.247 5.561 9.780 1.00 0.00 N ATOM 378 CA HIS A 30 -7.968 5.745 8.360 1.00 0.00 C ATOM 379 C HIS A 30 -8.883 4.870 7.509 1.00 0.00 C ATOM 380 O HIS A 30 -9.323 3.807 7.946 1.00 0.00 O ATOM 381 CB HIS A 30 -6.505 5.417 8.060 1.00 0.00 C ATOM 382 CG HIS A 30 -6.180 3.960 8.182 1.00 0.00 C ATOM 383 ND1 HIS A 30 -6.019 3.325 9.395 1.00 0.00 N ATOM 384 CD2 HIS A 30 -5.989 3.014 7.234 1.00 0.00 C ATOM 385 CE1 HIS A 30 -5.740 2.050 9.187 1.00 0.00 C ATOM 386 NE2 HIS A 30 -5.717 1.835 7.884 1.00 0.00 N ATOM 0 H HIS A 30 -8.740 4.697 10.004 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.157 6.789 8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.266 5.751 7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.868 5.981 8.741 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.102 3.769 10.309 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.041 3.159 6.165 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.561 1.310 9.953 1.00 0.00 H new ATOM 394 N ARG A 31 -9.164 5.325 6.292 1.00 0.00 N ATOM 395 CA ARG A 31 -10.028 4.584 5.381 1.00 0.00 C ATOM 396 C ARG A 31 -9.425 4.534 3.980 1.00 0.00 C ATOM 397 O ARG A 31 -10.129 4.303 2.996 1.00 0.00 O ATOM 398 CB ARG A 31 -11.417 5.224 5.326 1.00 0.00 C ATOM 399 CG ARG A 31 -11.470 6.494 4.493 1.00 0.00 C ATOM 400 CD ARG A 31 -12.898 6.983 4.312 1.00 0.00 C ATOM 401 NE ARG A 31 -13.418 7.614 5.523 1.00 0.00 N ATOM 402 CZ ARG A 31 -13.980 6.940 6.520 1.00 0.00 C ATOM 403 NH1 ARG A 31 -14.094 5.621 6.452 1.00 0.00 N ATOM 404 NH2 ARG A 31 -14.428 7.586 7.589 1.00 0.00 N ATOM 0 H ARG A 31 -8.806 6.202 5.915 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.119 3.565 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.124 4.502 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.743 5.451 6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.877 7.271 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.021 6.309 3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.936 7.695 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.537 6.143 4.038 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.345 8.628 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.750 5.121 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.526 5.106 7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.341 8.601 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.860 7.068 8.354 1.00 0.00 H new ATOM 418 N THR A 32 -8.116 4.752 3.897 1.00 0.00 N ATOM 419 CA THR A 32 -7.418 4.733 2.618 1.00 0.00 C ATOM 420 C THR A 32 -6.016 4.152 2.765 1.00 0.00 C ATOM 421 O THR A 32 -5.394 4.267 3.820 1.00 0.00 O ATOM 422 CB THR A 32 -7.314 6.146 2.013 1.00 0.00 C ATOM 423 OG1 THR A 32 -6.843 7.068 3.001 1.00 0.00 O ATOM 424 CG2 THR A 32 -8.664 6.608 1.484 1.00 0.00 C ATOM 0 H THR A 32 -7.518 4.944 4.701 1.00 0.00 H new ATOM 0 HA THR A 32 -8.002 4.101 1.949 1.00 0.00 H new ATOM 0 HB THR A 32 -6.608 6.111 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.778 7.963 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.566 7.608 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.007 5.920 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.387 6.628 2.299 1.00 0.00 H new ATOM 432 N ALA A 33 -5.524 3.527 1.700 1.00 0.00 N ATOM 433 CA ALA A 33 -4.195 2.931 1.710 1.00 0.00 C ATOM 434 C ALA A 33 -3.120 3.989 1.937 1.00 0.00 C ATOM 435 O ALA A 33 -2.154 3.760 2.665 1.00 0.00 O ATOM 436 CB ALA A 33 -3.939 2.187 0.407 1.00 0.00 C ATOM 0 H ALA A 33 -6.027 3.421 0.819 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.149 2.221 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.942 1.747 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.681 1.398 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.010 2.883 -0.429 1.00 0.00 H new ATOM 442 N SER A 34 -3.294 5.147 1.309 1.00 0.00 N ATOM 443 CA SER A 34 -2.337 6.239 1.439 1.00 0.00 C ATOM 444 C SER A 34 -2.104 6.585 2.906 1.00 0.00 C ATOM 445 O SER A 34 -0.976 6.842 3.324 1.00 0.00 O ATOM 446 CB SER A 34 -2.833 7.473 0.684 1.00 0.00 C ATOM 447 OG SER A 34 -1.885 8.525 0.747 1.00 0.00 O ATOM 0 H SER A 34 -4.089 5.353 0.705 1.00 0.00 H new ATOM 0 HA SER A 34 -1.391 5.914 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.024 7.214 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.780 7.807 1.108 1.00 0.00 H new ATOM 0 HG SER A 34 -2.225 9.302 0.256 1.00 0.00 H new ATOM 453 N GLY A 35 -3.182 6.591 3.685 1.00 0.00 N ATOM 454 CA GLY A 35 -3.076 6.908 5.097 1.00 0.00 C ATOM 455 C GLY A 35 -3.005 5.667 5.965 1.00 0.00 C ATOM 456 O GLY A 35 -3.045 5.757 7.193 1.00 0.00 O ATOM 0 H GLY A 35 -4.127 6.382 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.187 7.516 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.934 7.509 5.397 1.00 0.00 H new ATOM 460 N CYS A 36 -2.902 4.506 5.328 1.00 0.00 N ATOM 461 CA CYS A 36 -2.829 3.241 6.049 1.00 0.00 C ATOM 462 C CYS A 36 -1.461 3.067 6.704 1.00 0.00 C ATOM 463 O CYS A 36 -0.441 2.901 6.035 1.00 0.00 O ATOM 464 CB CYS A 36 -3.105 2.072 5.101 1.00 0.00 C ATOM 465 SG CYS A 36 -3.006 0.434 5.892 1.00 0.00 S ATOM 0 H CYS A 36 -2.867 4.415 4.313 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.589 3.253 6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.098 2.195 4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.392 2.110 4.278 1.00 0.00 H new ATOM 470 N PRO A 37 -1.438 3.106 8.045 1.00 0.00 N ATOM 471 CA PRO A 37 -0.203 2.954 8.820 1.00 0.00 C ATOM 472 C PRO A 37 0.352 1.535 8.753 1.00 0.00 C ATOM 473 O PRO A 37 1.566 1.330 8.796 1.00 0.00 O ATOM 474 CB PRO A 37 -0.637 3.292 10.248 1.00 0.00 C ATOM 475 CG PRO A 37 -2.095 2.989 10.283 1.00 0.00 C ATOM 476 CD PRO A 37 -2.616 3.300 8.907 1.00 0.00 C ATOM 0 HA PRO A 37 0.597 3.590 8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.091 2.696 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.445 4.339 10.483 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.270 1.944 10.540 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.601 3.592 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.433 2.635 8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.998 4.319 8.843 1.00 0.00 H new ATOM 484 N LEU A 38 -0.543 0.559 8.648 1.00 0.00 N ATOM 485 CA LEU A 38 -0.142 -0.842 8.575 1.00 0.00 C ATOM 486 C LEU A 38 0.559 -1.139 7.254 1.00 0.00 C ATOM 487 O LEU A 38 1.446 -1.990 7.188 1.00 0.00 O ATOM 488 CB LEU A 38 -1.363 -1.751 8.734 1.00 0.00 C ATOM 489 CG LEU A 38 -1.074 -3.199 9.131 1.00 0.00 C ATOM 490 CD1 LEU A 38 -2.227 -3.770 9.941 1.00 0.00 C ATOM 491 CD2 LEU A 38 -0.814 -4.049 7.896 1.00 0.00 C ATOM 0 H LEU A 38 -1.551 0.712 8.611 1.00 0.00 H new ATOM 0 HA LEU A 38 0.557 -1.038 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.021 -1.314 9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.912 -1.756 7.793 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.178 -3.214 9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.004 -4.801 10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.366 -3.177 10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.139 -3.742 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.610 -5.076 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.691 -4.028 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.045 -3.652 7.356 1.00 0.00 H new ATOM 503 N ALA A 39 0.158 -0.431 6.204 1.00 0.00 N ATOM 504 CA ALA A 39 0.751 -0.616 4.885 1.00 0.00 C ATOM 505 C ALA A 39 2.183 -0.095 4.850 1.00 0.00 C ATOM 506 O ALA A 39 3.045 -0.665 4.182 1.00 0.00 O ATOM 507 CB ALA A 39 -0.092 0.079 3.826 1.00 0.00 C ATOM 0 H ALA A 39 -0.576 0.277 6.241 1.00 0.00 H new ATOM 0 HA ALA A 39 0.776 -1.684 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.362 -0.067 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.097 -0.343 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.146 1.145 4.046 1.00 0.00 H new ATOM 513 N ALA A 40 2.431 0.993 5.572 1.00 0.00 N ATOM 514 CA ALA A 40 3.759 1.590 5.624 1.00 0.00 C ATOM 515 C ALA A 40 4.761 0.645 6.279 1.00 0.00 C ATOM 516 O ALA A 40 5.858 0.432 5.763 1.00 0.00 O ATOM 517 CB ALA A 40 3.714 2.915 6.371 1.00 0.00 C ATOM 0 H ALA A 40 1.728 1.479 6.129 1.00 0.00 H new ATOM 0 HA ALA A 40 4.087 1.773 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.713 3.349 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.037 3.599 5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.360 2.747 7.388 1.00 0.00 H new ATOM 523 N LYS A 41 4.376 0.081 7.418 1.00 0.00 N ATOM 524 CA LYS A 41 5.240 -0.843 8.145 1.00 0.00 C ATOM 525 C LYS A 41 5.494 -2.106 7.329 1.00 0.00 C ATOM 526 O LYS A 41 6.624 -2.587 7.246 1.00 0.00 O ATOM 527 CB LYS A 41 4.611 -1.210 9.491 1.00 0.00 C ATOM 528 CG LYS A 41 5.533 -2.009 10.395 1.00 0.00 C ATOM 529 CD LYS A 41 5.378 -3.504 10.170 1.00 0.00 C ATOM 530 CE LYS A 41 6.338 -4.301 11.039 1.00 0.00 C ATOM 531 NZ LYS A 41 6.593 -5.659 10.483 1.00 0.00 N ATOM 0 H LYS A 41 3.471 0.247 7.859 1.00 0.00 H new ATOM 0 HA LYS A 41 6.195 -0.347 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.314 -0.296 10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.702 -1.785 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.567 -1.718 10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.317 -1.773 11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.353 -3.802 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.558 -3.736 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.281 -3.762 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.928 -4.392 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.252 -6.170 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.697 -6.183 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.008 -5.573 9.533 1.00 0.00 H new ATOM 545 N ARG A 42 4.436 -2.639 6.726 1.00 0.00 N ATOM 546 CA ARG A 42 4.545 -3.846 5.916 1.00 0.00 C ATOM 547 C ARG A 42 5.507 -3.634 4.751 1.00 0.00 C ATOM 548 O ARG A 42 6.240 -4.545 4.366 1.00 0.00 O ATOM 549 CB ARG A 42 3.169 -4.257 5.387 1.00 0.00 C ATOM 550 CG ARG A 42 2.357 -5.077 6.376 1.00 0.00 C ATOM 551 CD ARG A 42 1.209 -5.801 5.689 1.00 0.00 C ATOM 552 NE ARG A 42 1.684 -6.842 4.782 1.00 0.00 N ATOM 553 CZ ARG A 42 0.949 -7.884 4.411 1.00 0.00 C ATOM 554 NH1 ARG A 42 -0.289 -8.023 4.866 1.00 0.00 N ATOM 555 NH2 ARG A 42 1.451 -8.791 3.582 1.00 0.00 N ATOM 0 H ARG A 42 3.493 -2.254 6.783 1.00 0.00 H new ATOM 0 HA ARG A 42 4.937 -4.643 6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.608 -3.361 5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.298 -4.833 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.005 -5.803 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.963 -4.424 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.558 -6.245 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.608 -5.082 5.133 1.00 0.00 H new ATOM 0 HE ARG A 42 2.632 -6.765 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.679 -7.328 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.851 -8.824 4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.402 -8.688 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.885 -9.591 3.298 1.00 0.00 H new ATOM 569 N GLN A 43 5.498 -2.427 4.195 1.00 0.00 N ATOM 570 CA GLN A 43 6.369 -2.097 3.073 1.00 0.00 C ATOM 571 C GLN A 43 7.735 -1.629 3.564 1.00 0.00 C ATOM 572 O GLN A 43 8.294 -0.660 3.048 1.00 0.00 O ATOM 573 CB GLN A 43 5.728 -1.014 2.204 1.00 0.00 C ATOM 574 CG GLN A 43 4.449 -1.464 1.516 1.00 0.00 C ATOM 575 CD GLN A 43 4.712 -2.357 0.321 1.00 0.00 C ATOM 576 OE1 GLN A 43 5.169 -3.491 0.467 1.00 0.00 O ATOM 577 NE2 GLN A 43 4.425 -1.851 -0.873 1.00 0.00 N ATOM 0 H GLN A 43 4.898 -1.662 4.503 1.00 0.00 H new ATOM 0 HA GLN A 43 6.507 -2.998 2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.511 -0.144 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.445 -0.695 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.824 -1.997 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.887 -0.588 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.048 -0.906 -0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.582 -2.407 -1.714 1.00 0.00 H new ATOM 586 N LYS A 44 8.268 -2.322 4.565 1.00 0.00 N ATOM 587 CA LYS A 44 9.569 -1.979 5.126 1.00 0.00 C ATOM 588 C LYS A 44 10.605 -3.047 4.791 1.00 0.00 C ATOM 589 O LYS A 44 10.766 -4.020 5.527 1.00 0.00 O ATOM 590 CB LYS A 44 9.465 -1.812 6.644 1.00 0.00 C ATOM 591 CG LYS A 44 10.546 -0.923 7.234 1.00 0.00 C ATOM 592 CD LYS A 44 10.329 -0.694 8.721 1.00 0.00 C ATOM 593 CE LYS A 44 10.943 -1.810 9.552 1.00 0.00 C ATOM 594 NZ LYS A 44 12.413 -1.637 9.714 1.00 0.00 N ATOM 0 H LYS A 44 7.818 -3.125 5.004 1.00 0.00 H new ATOM 0 HA LYS A 44 9.890 -1.036 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.489 -1.394 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.518 -2.794 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.522 -1.381 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.554 0.035 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.768 0.261 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.261 -0.630 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.470 -1.834 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.741 -2.770 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.793 -2.418 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.868 -1.639 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.606 -0.733 10.190 1.00 0.00 H new ATOM 608 N GLU A 45 11.305 -2.857 3.677 1.00 0.00 N ATOM 609 CA GLU A 45 12.326 -3.806 3.246 1.00 0.00 C ATOM 610 C GLU A 45 13.718 -3.192 3.355 1.00 0.00 C ATOM 611 O GLU A 45 13.870 -1.971 3.381 1.00 0.00 O ATOM 612 CB GLU A 45 12.063 -4.252 1.807 1.00 0.00 C ATOM 613 CG GLU A 45 13.047 -5.296 1.304 1.00 0.00 C ATOM 614 CD GLU A 45 12.910 -6.622 2.026 1.00 0.00 C ATOM 615 OE1 GLU A 45 11.769 -7.118 2.143 1.00 0.00 O ATOM 616 OE2 GLU A 45 13.941 -7.164 2.474 1.00 0.00 O ATOM 0 H GLU A 45 11.184 -2.056 3.057 1.00 0.00 H new ATOM 0 HA GLU A 45 12.279 -4.676 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.052 -4.655 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.104 -3.381 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.893 -5.450 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.063 -4.922 1.429 1.00 0.00 H new ATOM 623 N ASN A 46 14.733 -4.048 3.418 1.00 0.00 N ATOM 624 CA ASN A 46 16.114 -3.591 3.524 1.00 0.00 C ATOM 625 C ASN A 46 16.787 -3.572 2.156 1.00 0.00 C ATOM 626 O ASN A 46 17.174 -4.607 1.612 1.00 0.00 O ATOM 627 CB ASN A 46 16.899 -4.493 4.479 1.00 0.00 C ATOM 628 CG ASN A 46 16.527 -4.260 5.931 1.00 0.00 C ATOM 629 OD1 ASN A 46 15.440 -4.634 6.372 1.00 0.00 O ATOM 630 ND2 ASN A 46 17.430 -3.639 6.681 1.00 0.00 N ATOM 0 H ASN A 46 14.625 -5.062 3.397 1.00 0.00 H new ATOM 0 HA ASN A 46 16.105 -2.575 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.715 -5.536 4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.966 -4.316 4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.236 -3.454 7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.318 -3.347 6.273 1.00 0.00 H new ATOM 637 N PRO A 47 16.933 -2.367 1.584 1.00 0.00 N ATOM 638 CA PRO A 47 17.561 -2.183 0.273 1.00 0.00 C ATOM 639 C PRO A 47 19.061 -2.458 0.305 1.00 0.00 C ATOM 640 O PRO A 47 19.581 -3.215 -0.515 1.00 0.00 O ATOM 641 CB PRO A 47 17.293 -0.710 -0.045 1.00 0.00 C ATOM 642 CG PRO A 47 17.129 -0.059 1.285 1.00 0.00 C ATOM 643 CD PRO A 47 16.495 -1.091 2.175 1.00 0.00 C ATOM 0 HA PRO A 47 17.162 -2.873 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 47 18.119 -0.269 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.398 -0.593 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.091 0.262 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.502 0.830 1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.829 -0.991 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.409 -1.003 2.182 1.00 0.00 H new ATOM 651 N LEU A 48 19.750 -1.837 1.256 1.00 0.00 N ATOM 652 CA LEU A 48 21.192 -2.015 1.395 1.00 0.00 C ATOM 653 C LEU A 48 21.634 -1.766 2.833 1.00 0.00 C ATOM 654 O LEU A 48 20.919 -1.139 3.614 1.00 0.00 O ATOM 655 CB LEU A 48 21.936 -1.071 0.449 1.00 0.00 C ATOM 656 CG LEU A 48 22.236 -1.619 -0.946 1.00 0.00 C ATOM 657 CD1 LEU A 48 21.113 -1.270 -1.910 1.00 0.00 C ATOM 658 CD2 LEU A 48 23.565 -1.080 -1.456 1.00 0.00 C ATOM 0 H LEU A 48 19.335 -1.206 1.942 1.00 0.00 H new ATOM 0 HA LEU A 48 21.434 -3.045 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.348 -0.160 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.879 -0.788 0.917 1.00 0.00 H new ATOM 0 HG LEU A 48 22.307 -2.705 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.344 -1.668 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.179 -1.704 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.009 -0.187 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.763 -1.480 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.522 0.008 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.364 -1.381 -0.778 1.00 0.00 H new ATOM 670 N ASN A 49 22.820 -2.259 3.176 1.00 0.00 N ATOM 671 CA ASN A 49 23.360 -2.088 4.520 1.00 0.00 C ATOM 672 C ASN A 49 24.254 -0.853 4.594 1.00 0.00 C ATOM 673 O ASN A 49 24.704 -0.338 3.572 1.00 0.00 O ATOM 674 CB ASN A 49 24.150 -3.330 4.936 1.00 0.00 C ATOM 675 CG ASN A 49 24.713 -3.213 6.340 1.00 0.00 C ATOM 676 OD1 ASN A 49 25.783 -2.642 6.546 1.00 0.00 O ATOM 677 ND2 ASN A 49 23.991 -3.757 7.313 1.00 0.00 N ATOM 0 H ASN A 49 23.425 -2.780 2.542 1.00 0.00 H new ATOM 0 HA ASN A 49 22.524 -1.951 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 49 23.503 -4.205 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.967 -3.491 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 49 24.318 -3.711 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.109 -4.221 7.095 1.00 0.00 H new ATOM 684 N GLY A 50 24.506 -0.385 5.813 1.00 0.00 N ATOM 685 CA GLY A 50 25.345 0.785 5.999 1.00 0.00 C ATOM 686 C GLY A 50 24.574 1.972 6.541 1.00 0.00 C ATOM 687 O GLY A 50 23.449 2.235 6.116 1.00 0.00 O ATOM 0 H GLY A 50 24.145 -0.795 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 50 26.157 0.540 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.801 1.056 5.047 1.00 0.00 H new ATOM 691 N ALA A 51 25.178 2.688 7.482 1.00 0.00 N ATOM 692 CA ALA A 51 24.541 3.854 8.082 1.00 0.00 C ATOM 693 C ALA A 51 25.038 5.144 7.439 1.00 0.00 C ATOM 694 O ALA A 51 25.301 6.130 8.126 1.00 0.00 O ATOM 695 CB ALA A 51 24.793 3.879 9.583 1.00 0.00 C ATOM 0 H ALA A 51 26.108 2.482 7.846 1.00 0.00 H new ATOM 0 HA ALA A 51 23.468 3.782 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.312 4.755 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.382 2.977 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 51 25.866 3.923 9.771 1.00 0.00 H new ATOM 701 N SER A 52 25.164 5.129 6.116 1.00 0.00 N ATOM 702 CA SER A 52 25.634 6.297 5.380 1.00 0.00 C ATOM 703 C SER A 52 24.463 7.065 4.775 1.00 0.00 C ATOM 704 O SER A 52 23.532 6.472 4.229 1.00 0.00 O ATOM 705 CB SER A 52 26.606 5.874 4.276 1.00 0.00 C ATOM 706 OG SER A 52 27.824 5.400 4.823 1.00 0.00 O ATOM 0 H SER A 52 24.947 4.321 5.532 1.00 0.00 H new ATOM 0 HA SER A 52 26.153 6.952 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.150 5.095 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 52 26.804 6.720 3.618 1.00 0.00 H new ATOM 0 HG SER A 52 28.427 5.135 4.098 1.00 0.00 H new ATOM 712 N LEU A 53 24.517 8.389 4.875 1.00 0.00 N ATOM 713 CA LEU A 53 23.462 9.240 4.338 1.00 0.00 C ATOM 714 C LEU A 53 22.986 8.729 2.982 1.00 0.00 C ATOM 715 O LEU A 53 23.771 8.194 2.199 1.00 0.00 O ATOM 716 CB LEU A 53 23.959 10.681 4.207 1.00 0.00 C ATOM 717 CG LEU A 53 23.988 11.501 5.498 1.00 0.00 C ATOM 718 CD1 LEU A 53 25.300 11.288 6.236 1.00 0.00 C ATOM 719 CD2 LEU A 53 23.777 12.978 5.196 1.00 0.00 C ATOM 0 H LEU A 53 25.280 8.896 5.323 1.00 0.00 H new ATOM 0 HA LEU A 53 22.621 9.214 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 24.966 10.660 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 53 23.326 11.198 3.486 1.00 0.00 H new ATOM 0 HG LEU A 53 23.175 11.162 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.302 11.879 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.410 10.233 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 53 26.129 11.599 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 53 23.801 13.546 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 53 24.568 13.331 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 53 22.811 13.116 4.711 1.00 0.00 H new ATOM 731 N SER A 54 21.697 8.900 2.710 1.00 0.00 N ATOM 732 CA SER A 54 21.116 8.455 1.448 1.00 0.00 C ATOM 733 C SER A 54 20.481 9.623 0.700 1.00 0.00 C ATOM 734 O SER A 54 20.000 10.577 1.311 1.00 0.00 O ATOM 735 CB SER A 54 20.070 7.366 1.700 1.00 0.00 C ATOM 736 OG SER A 54 19.990 6.473 0.603 1.00 0.00 O ATOM 0 H SER A 54 21.034 9.343 3.346 1.00 0.00 H new ATOM 0 HA SER A 54 21.917 8.045 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 54 20.326 6.814 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.096 7.825 1.871 1.00 0.00 H new ATOM 0 HG SER A 54 19.316 5.786 0.789 1.00 0.00 H new ATOM 742 N TRP A 55 20.484 9.539 -0.625 1.00 0.00 N ATOM 743 CA TRP A 55 19.908 10.589 -1.458 1.00 0.00 C ATOM 744 C TRP A 55 18.677 11.197 -0.795 1.00 0.00 C ATOM 745 O TRP A 55 18.500 12.415 -0.789 1.00 0.00 O ATOM 746 CB TRP A 55 19.539 10.032 -2.834 1.00 0.00 C ATOM 747 CG TRP A 55 19.225 11.096 -3.841 1.00 0.00 C ATOM 748 CD1 TRP A 55 20.084 12.037 -4.335 1.00 0.00 C ATOM 749 CD2 TRP A 55 17.963 11.331 -4.475 1.00 0.00 C ATOM 750 NE1 TRP A 55 19.431 12.841 -5.238 1.00 0.00 N ATOM 751 CE2 TRP A 55 18.129 12.428 -5.343 1.00 0.00 C ATOM 752 CE3 TRP A 55 16.709 10.719 -4.397 1.00 0.00 C ATOM 753 CZ2 TRP A 55 17.089 12.925 -6.122 1.00 0.00 C ATOM 754 CZ3 TRP A 55 15.677 11.213 -5.171 1.00 0.00 C ATOM 755 CH2 TRP A 55 15.872 12.307 -6.026 1.00 0.00 C ATOM 0 H TRP A 55 20.878 8.756 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 55 20.656 11.373 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 55 20.364 9.423 -3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 55 18.677 9.373 -2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 55 21.123 12.134 -4.057 1.00 0.00 H new ATOM 0 HE1 TRP A 55 19.848 13.620 -5.748 1.00 0.00 H new ATOM 0 HE3 TRP A 55 16.550 9.874 -3.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 17.237 13.769 -6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 14.703 10.749 -5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 55 15.046 12.669 -6.620 1.00 0.00 H new ATOM 766 N LYS A 56 17.828 10.341 -0.237 1.00 0.00 N ATOM 767 CA LYS A 56 16.613 10.793 0.431 1.00 0.00 C ATOM 768 C LYS A 56 16.919 11.284 1.842 1.00 0.00 C ATOM 769 O LYS A 56 17.015 10.491 2.780 1.00 0.00 O ATOM 770 CB LYS A 56 15.585 9.661 0.485 1.00 0.00 C ATOM 771 CG LYS A 56 14.922 9.376 -0.851 1.00 0.00 C ATOM 772 CD LYS A 56 15.720 8.373 -1.667 1.00 0.00 C ATOM 773 CE LYS A 56 15.526 6.956 -1.152 1.00 0.00 C ATOM 774 NZ LYS A 56 16.510 6.010 -1.747 1.00 0.00 N ATOM 0 H LYS A 56 17.959 9.329 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 56 16.200 11.623 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.075 8.754 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.817 9.914 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.916 8.992 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.820 10.304 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.414 8.427 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 56 16.778 8.633 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.625 6.947 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.515 6.621 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.345 5.055 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.399 5.999 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.475 6.315 -1.506 1.00 0.00 H new ATOM 788 N LEU A 57 17.070 12.596 1.987 1.00 0.00 N ATOM 789 CA LEU A 57 17.363 13.193 3.286 1.00 0.00 C ATOM 790 C LEU A 57 16.322 12.783 4.322 1.00 0.00 C ATOM 791 O LEU A 57 15.124 12.778 4.044 1.00 0.00 O ATOM 792 CB LEU A 57 17.410 14.718 3.169 1.00 0.00 C ATOM 793 CG LEU A 57 18.782 15.328 2.884 1.00 0.00 C ATOM 794 CD1 LEU A 57 19.094 15.270 1.396 1.00 0.00 C ATOM 795 CD2 LEU A 57 18.843 16.763 3.387 1.00 0.00 C ATOM 0 H LEU A 57 16.995 13.266 1.222 1.00 0.00 H new ATOM 0 HA LEU A 57 18.337 12.829 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.728 15.022 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.031 15.145 4.097 1.00 0.00 H new ATOM 0 HG LEU A 57 19.534 14.745 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.075 15.709 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 19.093 14.232 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 18.338 15.828 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.827 17.181 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.080 17.358 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 57 18.665 16.780 4.462 1.00 0.00 H new ATOM 807 N ASN A 58 16.789 12.441 5.519 1.00 0.00 N ATOM 808 CA ASN A 58 15.898 12.030 6.598 1.00 0.00 C ATOM 809 C ASN A 58 15.751 13.140 7.634 1.00 0.00 C ATOM 810 O ASN A 58 16.445 13.151 8.651 1.00 0.00 O ATOM 811 CB ASN A 58 16.425 10.759 7.266 1.00 0.00 C ATOM 812 CG ASN A 58 15.926 9.498 6.587 1.00 0.00 C ATOM 813 OD1 ASN A 58 15.504 9.529 5.431 1.00 0.00 O ATOM 814 ND2 ASN A 58 15.972 8.382 7.304 1.00 0.00 N ATOM 0 H ASN A 58 17.779 12.440 5.766 1.00 0.00 H new ATOM 0 HA ASN A 58 14.917 11.826 6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.515 10.769 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.121 10.749 8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.649 7.503 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.330 8.404 8.259 1.00 0.00 H new ATOM 821 N LYS A 59 14.842 14.073 7.369 1.00 0.00 N ATOM 822 CA LYS A 59 14.601 15.187 8.278 1.00 0.00 C ATOM 823 C LYS A 59 13.108 15.473 8.404 1.00 0.00 C ATOM 824 O LYS A 59 12.398 15.558 7.404 1.00 0.00 O ATOM 825 CB LYS A 59 15.332 16.439 7.788 1.00 0.00 C ATOM 826 CG LYS A 59 15.730 17.388 8.905 1.00 0.00 C ATOM 827 CD LYS A 59 16.900 18.268 8.499 1.00 0.00 C ATOM 828 CE LYS A 59 18.216 17.507 8.554 1.00 0.00 C ATOM 829 NZ LYS A 59 18.760 17.440 9.939 1.00 0.00 N ATOM 0 H LYS A 59 14.260 14.079 6.531 1.00 0.00 H new ATOM 0 HA LYS A 59 14.984 14.911 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.227 16.137 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.693 16.970 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.879 18.014 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.996 16.815 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.739 18.646 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.951 19.134 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.068 16.497 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.943 17.990 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.657 16.914 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.926 18.403 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.078 16.956 10.557 1.00 0.00 H new ATOM 843 N GLN A 60 12.641 15.622 9.640 1.00 0.00 N ATOM 844 CA GLN A 60 11.233 15.899 9.895 1.00 0.00 C ATOM 845 C GLN A 60 11.000 16.223 11.367 1.00 0.00 C ATOM 846 O GLN A 60 11.841 15.930 12.217 1.00 0.00 O ATOM 847 CB GLN A 60 10.373 14.704 9.481 1.00 0.00 C ATOM 848 CG GLN A 60 10.635 13.452 10.303 1.00 0.00 C ATOM 849 CD GLN A 60 11.856 12.689 9.830 1.00 0.00 C ATOM 850 OE1 GLN A 60 12.840 12.555 10.559 1.00 0.00 O ATOM 851 NE2 GLN A 60 11.800 12.182 8.604 1.00 0.00 N ATOM 0 H GLN A 60 13.217 15.555 10.479 1.00 0.00 H new ATOM 0 HA GLN A 60 10.946 16.767 9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.321 14.975 9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.555 14.483 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.767 13.730 11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.763 12.800 10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.965 12.317 8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.592 11.658 8.232 1.00 0.00 H new ATOM 860 N GLU A 61 9.854 16.830 11.661 1.00 0.00 N ATOM 861 CA GLU A 61 9.513 17.194 13.031 1.00 0.00 C ATOM 862 C GLU A 61 8.639 16.122 13.677 1.00 0.00 C ATOM 863 O GLU A 61 7.633 15.698 13.107 1.00 0.00 O ATOM 864 CB GLU A 61 8.790 18.542 13.059 1.00 0.00 C ATOM 865 CG GLU A 61 9.726 19.737 12.990 1.00 0.00 C ATOM 866 CD GLU A 61 9.044 21.035 13.374 1.00 0.00 C ATOM 867 OE1 GLU A 61 8.231 21.539 12.571 1.00 0.00 O ATOM 868 OE2 GLU A 61 9.323 21.548 14.478 1.00 0.00 O ATOM 0 H GLU A 61 9.147 17.080 10.969 1.00 0.00 H new ATOM 0 HA GLU A 61 10.439 17.275 13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.093 18.588 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.197 18.608 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.575 19.567 13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.123 19.825 11.979 1.00 0.00 H new ATOM 875 N LEU A 62 9.031 15.689 14.870 1.00 0.00 N ATOM 876 CA LEU A 62 8.285 14.666 15.595 1.00 0.00 C ATOM 877 C LEU A 62 7.543 15.272 16.782 1.00 0.00 C ATOM 878 O LEU A 62 7.986 16.246 17.391 1.00 0.00 O ATOM 879 CB LEU A 62 9.229 13.564 16.078 1.00 0.00 C ATOM 880 CG LEU A 62 10.093 12.901 15.004 1.00 0.00 C ATOM 881 CD1 LEU A 62 11.405 13.651 14.837 1.00 0.00 C ATOM 882 CD2 LEU A 62 10.349 11.442 15.351 1.00 0.00 C ATOM 0 H LEU A 62 9.861 16.030 15.356 1.00 0.00 H new ATOM 0 HA LEU A 62 7.552 14.235 14.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.888 13.985 16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.634 12.791 16.565 1.00 0.00 H new ATOM 0 HG LEU A 62 9.555 12.938 14.057 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.007 13.165 14.069 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.201 14.680 14.541 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.949 13.646 15.781 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.965 10.986 14.576 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.866 11.381 16.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.399 10.912 15.418 1.00 0.00 H new ATOM 894 N PRO A 63 6.387 14.682 17.122 1.00 0.00 N ATOM 895 CA PRO A 63 5.561 15.146 18.240 1.00 0.00 C ATOM 896 C PRO A 63 6.210 14.873 19.593 1.00 0.00 C ATOM 897 O PRO A 63 6.891 13.863 19.774 1.00 0.00 O ATOM 898 CB PRO A 63 4.273 14.331 18.091 1.00 0.00 C ATOM 899 CG PRO A 63 4.687 13.099 17.363 1.00 0.00 C ATOM 900 CD PRO A 63 5.798 13.517 16.440 1.00 0.00 C ATOM 0 HA PRO A 63 5.406 16.224 18.212 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.842 14.091 19.063 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.516 14.884 17.535 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.025 12.330 18.058 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.852 12.677 16.803 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.528 12.720 16.303 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.422 13.778 15.451 1.00 0.00 H new ATOM 908 N HIS A 64 5.995 15.780 20.540 1.00 0.00 N ATOM 909 CA HIS A 64 6.560 15.637 21.878 1.00 0.00 C ATOM 910 C HIS A 64 5.888 14.492 22.631 1.00 0.00 C ATOM 911 O HIS A 64 4.960 13.861 22.123 1.00 0.00 O ATOM 912 CB HIS A 64 6.404 16.940 22.662 1.00 0.00 C ATOM 913 CG HIS A 64 5.076 17.603 22.465 1.00 0.00 C ATOM 914 ND1 HIS A 64 3.889 17.056 22.907 1.00 0.00 N ATOM 915 CD2 HIS A 64 4.750 18.775 21.871 1.00 0.00 C ATOM 916 CE1 HIS A 64 2.891 17.863 22.592 1.00 0.00 C ATOM 917 NE2 HIS A 64 3.387 18.913 21.963 1.00 0.00 N ATOM 0 H HIS A 64 5.434 16.621 20.407 1.00 0.00 H new ATOM 0 HA HIS A 64 7.621 15.409 21.776 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.544 16.735 23.723 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.193 17.630 22.364 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.435 19.472 21.410 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.847 17.693 22.812 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.845 19.699 21.604 1.00 0.00 H new ATOM 925 N CYS A 65 6.362 14.230 23.844 1.00 0.00 N ATOM 926 CA CYS A 65 5.809 13.161 24.667 1.00 0.00 C ATOM 927 C CYS A 65 4.285 13.148 24.590 1.00 0.00 C ATOM 928 O CYS A 65 3.620 14.165 24.789 1.00 0.00 O ATOM 929 CB CYS A 65 6.256 13.326 26.121 1.00 0.00 C ATOM 930 SG CYS A 65 5.575 12.073 27.255 1.00 0.00 S ATOM 0 H CYS A 65 7.128 14.744 24.279 1.00 0.00 H new ATOM 0 HA CYS A 65 6.182 12.211 24.284 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.344 13.285 26.162 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.961 14.315 26.471 1.00 0.00 H new ATOM 935 N PRO A 66 3.718 11.969 24.294 1.00 0.00 N ATOM 936 CA PRO A 66 2.267 11.794 24.184 1.00 0.00 C ATOM 937 C PRO A 66 1.566 11.904 25.534 1.00 0.00 C ATOM 938 O PRO A 66 0.536 12.568 25.659 1.00 0.00 O ATOM 939 CB PRO A 66 2.122 10.379 23.619 1.00 0.00 C ATOM 940 CG PRO A 66 3.365 9.674 24.039 1.00 0.00 C ATOM 941 CD PRO A 66 4.450 10.716 24.044 1.00 0.00 C ATOM 0 HA PRO A 66 1.809 12.564 23.563 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.234 9.885 24.013 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.023 10.394 22.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.247 9.229 25.027 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.605 8.863 23.351 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.190 10.521 24.820 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.984 10.745 23.094 1.00 0.00 H new ATOM 949 N LEU A 67 2.130 11.249 26.543 1.00 0.00 N ATOM 950 CA LEU A 67 1.560 11.273 27.885 1.00 0.00 C ATOM 951 C LEU A 67 1.163 12.691 28.283 1.00 0.00 C ATOM 952 O LEU A 67 1.938 13.638 28.153 1.00 0.00 O ATOM 953 CB LEU A 67 2.560 10.709 28.896 1.00 0.00 C ATOM 954 CG LEU A 67 2.459 9.208 29.174 1.00 0.00 C ATOM 955 CD1 LEU A 67 2.507 8.421 27.873 1.00 0.00 C ATOM 956 CD2 LEU A 67 3.574 8.764 30.110 1.00 0.00 C ATOM 0 H LEU A 67 2.982 10.695 26.457 1.00 0.00 H new ATOM 0 HA LEU A 67 0.665 10.651 27.883 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.567 10.925 28.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.433 11.242 29.838 1.00 0.00 H new ATOM 0 HG LEU A 67 1.503 9.010 29.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.434 7.355 28.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.674 8.720 27.236 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.447 8.623 27.360 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.487 7.694 30.297 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.540 8.975 29.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.494 9.305 31.053 1.00 0.00 H new ATOM 968 N PRO A 68 -0.074 12.842 28.781 1.00 0.00 N ATOM 969 CA PRO A 68 -0.601 14.140 29.210 1.00 0.00 C ATOM 970 C PRO A 68 0.078 14.651 30.477 1.00 0.00 C ATOM 971 O PRO A 68 0.522 15.797 30.536 1.00 0.00 O ATOM 972 CB PRO A 68 -2.081 13.852 29.475 1.00 0.00 C ATOM 973 CG PRO A 68 -2.133 12.397 29.789 1.00 0.00 C ATOM 974 CD PRO A 68 -1.052 11.756 28.963 1.00 0.00 C ATOM 0 HA PRO A 68 -0.431 14.916 28.464 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.458 14.450 30.305 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.693 14.092 28.605 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.968 12.221 30.852 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.110 11.980 29.545 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.611 10.899 29.473 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.436 11.396 28.008 1.00 0.00 H new ATOM 982 N GLY A 69 0.154 13.793 31.489 1.00 0.00 N ATOM 983 CA GLY A 69 0.781 14.176 32.741 1.00 0.00 C ATOM 984 C GLY A 69 2.258 14.477 32.582 1.00 0.00 C ATOM 985 O GLY A 69 2.780 15.407 33.197 1.00 0.00 O ATOM 0 H GLY A 69 -0.207 12.839 31.465 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.276 15.054 33.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.653 13.374 33.468 1.00 0.00 H new ATOM 989 N CYS A 70 2.935 13.687 31.755 1.00 0.00 N ATOM 990 CA CYS A 70 4.362 13.871 31.518 1.00 0.00 C ATOM 991 C CYS A 70 4.633 15.214 30.846 1.00 0.00 C ATOM 992 O CYS A 70 4.087 15.510 29.784 1.00 0.00 O ATOM 993 CB CYS A 70 4.907 12.735 30.650 1.00 0.00 C ATOM 994 SG CYS A 70 6.717 12.547 30.723 1.00 0.00 S ATOM 0 H CYS A 70 2.518 12.913 31.238 1.00 0.00 H new ATOM 0 HA CYS A 70 4.870 13.858 32.482 1.00 0.00 H new ATOM 0 HB2 CYS A 70 4.442 11.799 30.961 1.00 0.00 H new ATOM 0 HB3 CYS A 70 4.612 12.909 29.615 1.00 0.00 H new ATOM 999 N ASN A 71 5.480 16.024 31.474 1.00 0.00 N ATOM 1000 CA ASN A 71 5.823 17.336 30.938 1.00 0.00 C ATOM 1001 C ASN A 71 6.956 17.228 29.922 1.00 0.00 C ATOM 1002 O ASN A 71 7.802 18.116 29.824 1.00 0.00 O ATOM 1003 CB ASN A 71 6.226 18.283 32.070 1.00 0.00 C ATOM 1004 CG ASN A 71 5.263 18.228 33.240 1.00 0.00 C ATOM 1005 OD1 ASN A 71 4.176 17.660 33.137 1.00 0.00 O ATOM 1006 ND2 ASN A 71 5.659 18.821 34.360 1.00 0.00 N ATOM 0 H ASN A 71 5.941 15.794 32.354 1.00 0.00 H new ATOM 0 HA ASN A 71 4.944 17.737 30.434 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.228 18.027 32.415 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.272 19.303 31.688 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.053 18.818 35.181 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.569 19.280 34.400 1.00 0.00 H new ATOM 1013 N GLY A 72 6.966 16.133 29.167 1.00 0.00 N ATOM 1014 CA GLY A 72 7.998 15.930 28.168 1.00 0.00 C ATOM 1015 C GLY A 72 9.388 16.204 28.707 1.00 0.00 C ATOM 1016 O GLY A 72 10.242 16.740 28.000 1.00 0.00 O ATOM 0 H GLY A 72 6.277 15.383 29.230 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.949 14.904 27.803 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.807 16.582 27.315 1.00 0.00 H new ATOM 1020 N LEU A 73 9.617 15.838 29.963 1.00 0.00 N ATOM 1021 CA LEU A 73 10.913 16.048 30.598 1.00 0.00 C ATOM 1022 C LEU A 73 11.458 14.744 31.170 1.00 0.00 C ATOM 1023 O LEU A 73 10.754 14.021 31.874 1.00 0.00 O ATOM 1024 CB LEU A 73 10.796 17.095 31.708 1.00 0.00 C ATOM 1025 CG LEU A 73 10.574 18.537 31.249 1.00 0.00 C ATOM 1026 CD1 LEU A 73 9.964 19.365 32.369 1.00 0.00 C ATOM 1027 CD2 LEU A 73 11.883 19.154 30.778 1.00 0.00 C ATOM 0 H LEU A 73 8.921 15.394 30.562 1.00 0.00 H new ATOM 0 HA LEU A 73 11.607 16.408 29.838 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.971 16.812 32.362 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.705 17.062 32.309 1.00 0.00 H new ATOM 0 HG LEU A 73 9.877 18.529 30.411 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.813 20.388 32.024 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.005 18.935 32.659 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.636 19.367 33.228 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.706 20.180 30.455 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.602 19.150 31.597 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.279 18.574 29.944 1.00 0.00 H new ATOM 1039 N GLY A 74 12.718 14.450 30.865 1.00 0.00 N ATOM 1040 CA GLY A 74 13.337 13.233 31.358 1.00 0.00 C ATOM 1041 C GLY A 74 13.820 12.333 30.238 1.00 0.00 C ATOM 1042 O GLY A 74 13.795 12.717 29.069 1.00 0.00 O ATOM 0 H GLY A 74 13.322 15.033 30.285 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.179 13.492 32.000 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.621 12.689 31.974 1.00 0.00 H new ATOM 1046 N HIS A 75 14.261 11.131 30.596 1.00 0.00 N ATOM 1047 CA HIS A 75 14.752 10.173 29.612 1.00 0.00 C ATOM 1048 C HIS A 75 15.050 8.827 30.266 1.00 0.00 C ATOM 1049 O HIS A 75 15.658 8.765 31.334 1.00 0.00 O ATOM 1050 CB HIS A 75 16.011 10.711 28.930 1.00 0.00 C ATOM 1051 CG HIS A 75 16.203 10.196 27.537 1.00 0.00 C ATOM 1052 ND1 HIS A 75 16.450 8.870 27.252 1.00 0.00 N ATOM 1053 CD2 HIS A 75 16.182 10.838 26.345 1.00 0.00 C ATOM 1054 CE1 HIS A 75 16.574 8.718 25.945 1.00 0.00 C ATOM 1055 NE2 HIS A 75 16.416 9.897 25.372 1.00 0.00 N ATOM 0 H HIS A 75 14.288 10.798 31.560 1.00 0.00 H new ATOM 0 HA HIS A 75 13.974 10.029 28.862 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.963 11.800 28.903 1.00 0.00 H new ATOM 0 HB3 HIS A 75 16.881 10.445 29.530 1.00 0.00 H new ATOM 0 HD2 HIS A 75 16.013 11.893 26.188 1.00 0.00 H new ATOM 0 HE1 HIS A 75 16.771 7.788 25.433 1.00 0.00 H new ATOM 0 HE2 HIS A 75 16.460 10.079 24.369 1.00 0.00 H new ATOM 1063 N VAL A 76 14.617 7.751 29.617 1.00 0.00 N ATOM 1064 CA VAL A 76 14.837 6.406 30.135 1.00 0.00 C ATOM 1065 C VAL A 76 16.324 6.122 30.313 1.00 0.00 C ATOM 1066 O VAL A 76 16.716 5.317 31.157 1.00 0.00 O ATOM 1067 CB VAL A 76 14.230 5.340 29.204 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.711 5.354 29.293 1.00 0.00 C ATOM 1069 CG2 VAL A 76 14.689 5.560 27.770 1.00 0.00 C ATOM 0 H VAL A 76 14.112 7.785 28.732 1.00 0.00 H new ATOM 0 HA VAL A 76 14.342 6.355 31.105 1.00 0.00 H new ATOM 0 HB VAL A 76 14.580 4.360 29.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.301 4.594 28.628 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.405 5.143 30.318 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.338 6.335 28.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.250 4.797 27.126 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.370 6.546 27.433 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.776 5.494 27.722 1.00 0.00 H new ATOM 1079 N ASN A 77 17.148 6.789 29.511 1.00 0.00 N ATOM 1080 CA ASN A 77 18.594 6.609 29.580 1.00 0.00 C ATOM 1081 C ASN A 77 19.142 7.115 30.911 1.00 0.00 C ATOM 1082 O ASN A 77 20.175 6.645 31.387 1.00 0.00 O ATOM 1083 CB ASN A 77 19.276 7.341 28.423 1.00 0.00 C ATOM 1084 CG ASN A 77 18.954 6.721 27.077 1.00 0.00 C ATOM 1085 OD1 ASN A 77 18.535 5.566 26.997 1.00 0.00 O ATOM 1086 ND2 ASN A 77 19.149 7.488 26.010 1.00 0.00 N ATOM 0 H ASN A 77 16.839 7.459 28.806 1.00 0.00 H new ATOM 0 HA ASN A 77 18.807 5.543 29.502 1.00 0.00 H new ATOM 0 HB2 ASN A 77 18.964 8.385 28.423 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.355 7.331 28.576 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.950 7.125 25.078 1.00 0.00 H new ATOM 0 HD22 ASN A 77 19.498 8.440 26.123 1.00 0.00 H new ATOM 1093 N ASN A 78 18.443 8.076 31.506 1.00 0.00 N ATOM 1094 CA ASN A 78 18.860 8.646 32.782 1.00 0.00 C ATOM 1095 C ASN A 78 20.149 9.448 32.624 1.00 0.00 C ATOM 1096 O ASN A 78 20.978 9.495 33.533 1.00 0.00 O ATOM 1097 CB ASN A 78 19.058 7.539 33.818 1.00 0.00 C ATOM 1098 CG ASN A 78 18.917 8.046 35.241 1.00 0.00 C ATOM 1099 OD1 ASN A 78 17.807 8.282 35.720 1.00 0.00 O ATOM 1100 ND2 ASN A 78 20.043 8.217 35.923 1.00 0.00 N ATOM 0 H ASN A 78 17.586 8.476 31.125 1.00 0.00 H new ATOM 0 HA ASN A 78 18.074 9.319 33.126 1.00 0.00 H new ATOM 0 HB2 ASN A 78 18.329 6.747 33.643 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.046 7.097 33.689 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.010 8.557 36.884 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.941 8.009 35.486 1.00 0.00 H new ATOM 1107 N VAL A 79 20.310 10.077 31.465 1.00 0.00 N ATOM 1108 CA VAL A 79 21.496 10.878 31.188 1.00 0.00 C ATOM 1109 C VAL A 79 21.117 12.287 30.745 1.00 0.00 C ATOM 1110 O VAL A 79 21.857 13.243 30.977 1.00 0.00 O ATOM 1111 CB VAL A 79 22.371 10.228 30.100 1.00 0.00 C ATOM 1112 CG1 VAL A 79 22.904 8.885 30.575 1.00 0.00 C ATOM 1113 CG2 VAL A 79 21.586 10.072 28.807 1.00 0.00 C ATOM 0 H VAL A 79 19.634 10.047 30.702 1.00 0.00 H new ATOM 0 HA VAL A 79 22.064 10.933 32.116 1.00 0.00 H new ATOM 0 HB VAL A 79 23.222 10.881 29.905 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.520 8.441 29.793 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.505 9.029 31.473 1.00 0.00 H new ATOM 0 HG13 VAL A 79 22.069 8.221 30.800 1.00 0.00 H new ATOM 0 HG21 VAL A 79 22.220 9.611 28.050 1.00 0.00 H new ATOM 0 HG22 VAL A 79 20.715 9.441 28.984 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.259 11.052 28.459 1.00 0.00 H new ATOM 1123 N PHE A 80 19.958 12.408 30.105 1.00 0.00 N ATOM 1124 CA PHE A 80 19.480 13.701 29.629 1.00 0.00 C ATOM 1125 C PHE A 80 18.259 14.156 30.423 1.00 0.00 C ATOM 1126 O PHE A 80 17.758 13.430 31.282 1.00 0.00 O ATOM 1127 CB PHE A 80 19.134 13.623 28.140 1.00 0.00 C ATOM 1128 CG PHE A 80 20.340 13.604 27.245 1.00 0.00 C ATOM 1129 CD1 PHE A 80 21.042 14.769 26.982 1.00 0.00 C ATOM 1130 CD2 PHE A 80 20.772 12.421 26.667 1.00 0.00 C ATOM 1131 CE1 PHE A 80 22.152 14.754 26.157 1.00 0.00 C ATOM 1132 CE2 PHE A 80 21.880 12.400 25.842 1.00 0.00 C ATOM 1133 CZ PHE A 80 22.572 13.568 25.588 1.00 0.00 C ATOM 0 H PHE A 80 19.333 11.627 29.904 1.00 0.00 H new ATOM 0 HA PHE A 80 20.277 14.431 29.773 1.00 0.00 H new ATOM 0 HB2 PHE A 80 18.543 12.725 27.959 1.00 0.00 H new ATOM 0 HB3 PHE A 80 18.508 14.475 27.875 1.00 0.00 H new ATOM 0 HD1 PHE A 80 20.719 15.699 27.426 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.236 11.504 26.864 1.00 0.00 H new ATOM 0 HE1 PHE A 80 22.690 15.669 25.958 1.00 0.00 H new ATOM 0 HE2 PHE A 80 22.205 11.471 25.396 1.00 0.00 H new ATOM 0 HZ PHE A 80 23.440 13.554 24.946 1.00 0.00 H new ATOM 1143 N VAL A 81 17.785 15.363 30.129 1.00 0.00 N ATOM 1144 CA VAL A 81 16.623 15.915 30.815 1.00 0.00 C ATOM 1145 C VAL A 81 15.545 16.330 29.820 1.00 0.00 C ATOM 1146 O VAL A 81 14.819 17.300 30.043 1.00 0.00 O ATOM 1147 CB VAL A 81 17.007 17.132 31.677 1.00 0.00 C ATOM 1148 CG1 VAL A 81 17.997 16.730 32.759 1.00 0.00 C ATOM 1149 CG2 VAL A 81 17.576 18.243 30.807 1.00 0.00 C ATOM 0 H VAL A 81 18.188 15.977 29.421 1.00 0.00 H new ATOM 0 HA VAL A 81 16.233 15.129 31.462 1.00 0.00 H new ATOM 0 HB VAL A 81 16.107 17.508 32.164 1.00 0.00 H new ATOM 0 HG11 VAL A 81 18.256 17.603 33.358 1.00 0.00 H new ATOM 0 HG12 VAL A 81 17.548 15.971 33.400 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.898 16.327 32.296 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.842 19.095 31.433 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.465 17.881 30.290 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.830 18.550 30.074 1.00 0.00 H new ATOM 1159 N THR A 82 15.444 15.589 28.721 1.00 0.00 N ATOM 1160 CA THR A 82 14.455 15.879 27.691 1.00 0.00 C ATOM 1161 C THR A 82 14.107 14.628 26.894 1.00 0.00 C ATOM 1162 O THR A 82 14.880 13.669 26.855 1.00 0.00 O ATOM 1163 CB THR A 82 14.954 16.969 26.724 1.00 0.00 C ATOM 1164 OG1 THR A 82 16.287 16.670 26.295 1.00 0.00 O ATOM 1165 CG2 THR A 82 14.925 18.337 27.388 1.00 0.00 C ATOM 0 H THR A 82 16.036 14.783 28.522 1.00 0.00 H new ATOM 0 HA THR A 82 13.563 16.239 28.203 1.00 0.00 H new ATOM 0 HB THR A 82 14.290 16.988 25.860 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.596 17.367 25.679 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.282 19.090 26.685 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.904 18.575 27.687 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.568 18.328 28.268 1.00 0.00 H new ATOM 1173 N HIS A 83 12.941 14.642 26.257 1.00 0.00 N ATOM 1174 CA HIS A 83 12.492 13.507 25.458 1.00 0.00 C ATOM 1175 C HIS A 83 11.204 13.843 24.712 1.00 0.00 C ATOM 1176 O HIS A 83 10.262 14.384 25.293 1.00 0.00 O ATOM 1177 CB HIS A 83 12.274 12.284 26.349 1.00 0.00 C ATOM 1178 CG HIS A 83 11.034 12.364 27.185 1.00 0.00 C ATOM 1179 ND1 HIS A 83 11.002 12.962 28.427 1.00 0.00 N ATOM 1180 CD2 HIS A 83 9.778 11.919 26.950 1.00 0.00 C ATOM 1181 CE1 HIS A 83 9.779 12.880 28.921 1.00 0.00 C ATOM 1182 NE2 HIS A 83 9.017 12.252 28.044 1.00 0.00 N ATOM 0 H HIS A 83 12.290 15.427 26.278 1.00 0.00 H new ATOM 0 HA HIS A 83 13.267 13.281 24.726 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.223 11.393 25.723 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.137 12.164 27.004 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.798 13.399 28.892 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.437 11.399 26.067 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.457 13.262 29.879 1.00 0.00 H new ATOM 1190 N ARG A 84 11.171 13.521 23.423 1.00 0.00 N ATOM 1191 CA ARG A 84 9.999 13.791 22.598 1.00 0.00 C ATOM 1192 C ARG A 84 9.487 12.510 21.946 1.00 0.00 C ATOM 1193 O ARG A 84 9.124 12.502 20.770 1.00 0.00 O ATOM 1194 CB ARG A 84 10.334 14.825 21.522 1.00 0.00 C ATOM 1195 CG ARG A 84 10.614 16.212 22.076 1.00 0.00 C ATOM 1196 CD ARG A 84 10.765 17.237 20.963 1.00 0.00 C ATOM 1197 NE ARG A 84 10.556 18.600 21.442 1.00 0.00 N ATOM 1198 CZ ARG A 84 11.497 19.321 22.041 1.00 0.00 C ATOM 1199 NH1 ARG A 84 12.706 18.811 22.233 1.00 0.00 N ATOM 1200 NH2 ARG A 84 11.230 20.555 22.449 1.00 0.00 N ATOM 0 H ARG A 84 11.942 13.073 22.927 1.00 0.00 H new ATOM 0 HA ARG A 84 9.215 14.189 23.243 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.205 14.484 20.961 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.505 14.885 20.817 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.802 16.511 22.739 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.524 16.188 22.676 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.761 17.155 20.527 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.051 17.018 20.169 1.00 0.00 H new ATOM 0 HE ARG A 84 9.637 19.022 21.309 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.915 17.863 21.920 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.427 19.367 22.693 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.301 20.951 22.303 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.953 21.108 22.909 1.00 0.00 H new ATOM 1214 N SER A 85 9.461 11.428 22.719 1.00 0.00 N ATOM 1215 CA SER A 85 8.997 10.140 22.215 1.00 0.00 C ATOM 1216 C SER A 85 8.687 9.187 23.365 1.00 0.00 C ATOM 1217 O SER A 85 9.133 9.393 24.495 1.00 0.00 O ATOM 1218 CB SER A 85 10.050 9.520 21.294 1.00 0.00 C ATOM 1219 OG SER A 85 9.445 8.706 20.304 1.00 0.00 O ATOM 0 H SER A 85 9.755 11.418 23.696 1.00 0.00 H new ATOM 0 HA SER A 85 8.081 10.308 21.648 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.630 10.309 20.816 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.748 8.924 21.883 1.00 0.00 H new ATOM 0 HG SER A 85 10.138 8.323 19.727 1.00 0.00 H new ATOM 1225 N LEU A 86 7.920 8.144 23.070 1.00 0.00 N ATOM 1226 CA LEU A 86 7.548 7.157 24.078 1.00 0.00 C ATOM 1227 C LEU A 86 8.774 6.398 24.575 1.00 0.00 C ATOM 1228 O LEU A 86 9.089 6.417 25.765 1.00 0.00 O ATOM 1229 CB LEU A 86 6.524 6.176 23.507 1.00 0.00 C ATOM 1230 CG LEU A 86 5.089 6.693 23.395 1.00 0.00 C ATOM 1231 CD1 LEU A 86 4.241 5.738 22.569 1.00 0.00 C ATOM 1232 CD2 LEU A 86 4.483 6.888 24.777 1.00 0.00 C ATOM 0 H LEU A 86 7.543 7.959 22.140 1.00 0.00 H new ATOM 0 HA LEU A 86 7.104 7.686 24.921 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.857 5.870 22.515 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.519 5.282 24.131 1.00 0.00 H new ATOM 0 HG LEU A 86 5.109 7.659 22.890 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.223 6.122 22.500 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.664 5.649 21.568 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.227 4.758 23.046 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.462 7.256 24.678 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.476 5.936 25.309 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.077 7.611 25.336 1.00 0.00 H new ATOM 1244 N SER A 87 9.465 5.732 23.655 1.00 0.00 N ATOM 1245 CA SER A 87 10.656 4.965 23.999 1.00 0.00 C ATOM 1246 C SER A 87 11.534 5.737 24.980 1.00 0.00 C ATOM 1247 O SER A 87 12.065 5.169 25.934 1.00 0.00 O ATOM 1248 CB SER A 87 11.455 4.630 22.738 1.00 0.00 C ATOM 1249 OG SER A 87 10.662 3.912 21.808 1.00 0.00 O ATOM 0 H SER A 87 9.220 5.708 22.665 1.00 0.00 H new ATOM 0 HA SER A 87 10.336 4.038 24.475 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.817 5.549 22.278 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.332 4.040 23.005 1.00 0.00 H new ATOM 0 HG SER A 87 11.195 3.711 21.010 1.00 0.00 H new ATOM 1255 N GLY A 88 11.681 7.036 24.738 1.00 0.00 N ATOM 1256 CA GLY A 88 12.495 7.865 25.608 1.00 0.00 C ATOM 1257 C GLY A 88 11.796 8.199 26.911 1.00 0.00 C ATOM 1258 O GLY A 88 12.431 8.280 27.962 1.00 0.00 O ATOM 0 H GLY A 88 11.251 7.529 23.955 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.431 7.350 25.823 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.751 8.789 25.089 1.00 0.00 H new ATOM 1262 N CYS A 89 10.483 8.396 26.842 1.00 0.00 N ATOM 1263 CA CYS A 89 9.696 8.727 28.024 1.00 0.00 C ATOM 1264 C CYS A 89 9.991 7.754 29.163 1.00 0.00 C ATOM 1265 O CYS A 89 9.676 6.566 29.094 1.00 0.00 O ATOM 1266 CB CYS A 89 8.203 8.703 27.692 1.00 0.00 C ATOM 1267 SG CYS A 89 7.131 9.286 29.044 1.00 0.00 S ATOM 0 H CYS A 89 9.942 8.332 25.980 1.00 0.00 H new ATOM 0 HA CYS A 89 9.973 9.731 28.345 1.00 0.00 H new ATOM 0 HB2 CYS A 89 8.028 9.321 26.811 1.00 0.00 H new ATOM 0 HB3 CYS A 89 7.917 7.685 27.429 1.00 0.00 H new ATOM 1272 N PRO A 90 10.609 8.269 30.236 1.00 0.00 N ATOM 1273 CA PRO A 90 10.959 7.464 31.410 1.00 0.00 C ATOM 1274 C PRO A 90 9.730 7.032 32.203 1.00 0.00 C ATOM 1275 O PRO A 90 9.723 5.969 32.826 1.00 0.00 O ATOM 1276 CB PRO A 90 11.827 8.410 32.243 1.00 0.00 C ATOM 1277 CG PRO A 90 11.395 9.777 31.837 1.00 0.00 C ATOM 1278 CD PRO A 90 11.014 9.677 30.386 1.00 0.00 C ATOM 0 HA PRO A 90 11.460 6.536 31.134 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.677 8.248 33.310 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.887 8.254 32.043 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.552 10.115 32.439 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.199 10.499 31.981 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.200 10.358 30.136 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.850 9.926 29.733 1.00 0.00 H new ATOM 1286 N LEU A 91 8.693 7.861 32.176 1.00 0.00 N ATOM 1287 CA LEU A 91 7.457 7.564 32.893 1.00 0.00 C ATOM 1288 C LEU A 91 6.646 6.499 32.161 1.00 0.00 C ATOM 1289 O LEU A 91 5.854 5.781 32.770 1.00 0.00 O ATOM 1290 CB LEU A 91 6.622 8.834 33.057 1.00 0.00 C ATOM 1291 CG LEU A 91 7.047 9.776 34.185 1.00 0.00 C ATOM 1292 CD1 LEU A 91 7.941 10.883 33.647 1.00 0.00 C ATOM 1293 CD2 LEU A 91 5.827 10.363 34.878 1.00 0.00 C ATOM 0 H LEU A 91 8.683 8.744 31.666 1.00 0.00 H new ATOM 0 HA LEU A 91 7.720 7.180 33.879 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.651 9.387 32.118 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.585 8.544 33.224 1.00 0.00 H new ATOM 0 HG LEU A 91 7.615 9.202 34.917 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.234 11.543 34.463 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.832 10.445 33.198 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.399 11.455 32.894 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.149 11.030 35.677 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.232 10.922 34.156 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.225 9.558 35.298 1.00 0.00 H new ATOM 1305 N ASN A 92 6.851 6.402 30.852 1.00 0.00 N ATOM 1306 CA ASN A 92 6.139 5.424 30.037 1.00 0.00 C ATOM 1307 C ASN A 92 6.812 4.057 30.117 1.00 0.00 C ATOM 1308 O ASN A 92 6.142 3.028 30.201 1.00 0.00 O ATOM 1309 CB ASN A 92 6.078 5.890 28.581 1.00 0.00 C ATOM 1310 CG ASN A 92 4.999 5.175 27.790 1.00 0.00 C ATOM 1311 OD1 ASN A 92 3.808 5.413 27.988 1.00 0.00 O ATOM 1312 ND2 ASN A 92 5.414 4.293 26.888 1.00 0.00 N ATOM 0 H ASN A 92 7.504 6.988 30.333 1.00 0.00 H new ATOM 0 HA ASN A 92 5.125 5.334 30.425 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.894 6.964 28.553 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.045 5.720 28.107 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.735 3.781 26.325 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.412 4.128 26.758 1.00 0.00 H new ATOM 1319 N ALA A 93 8.141 4.055 30.090 1.00 0.00 N ATOM 1320 CA ALA A 93 8.905 2.816 30.162 1.00 0.00 C ATOM 1321 C ALA A 93 8.317 1.868 31.203 1.00 0.00 C ATOM 1322 O ALA A 93 7.927 0.746 30.882 1.00 0.00 O ATOM 1323 CB ALA A 93 10.363 3.112 30.480 1.00 0.00 C ATOM 0 H ALA A 93 8.711 4.898 30.019 1.00 0.00 H new ATOM 0 HA ALA A 93 8.849 2.327 29.190 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.921 2.177 30.531 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.785 3.745 29.699 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.429 3.627 31.439 1.00 0.00 H new ATOM 1329 N GLN A 94 8.258 2.328 32.448 1.00 0.00 N ATOM 1330 CA GLN A 94 7.718 1.519 33.535 1.00 0.00 C ATOM 1331 C GLN A 94 6.477 0.758 33.083 1.00 0.00 C ATOM 1332 O GLN A 94 6.301 -0.415 33.413 1.00 0.00 O ATOM 1333 CB GLN A 94 7.380 2.403 34.737 1.00 0.00 C ATOM 1334 CG GLN A 94 6.004 3.044 34.653 1.00 0.00 C ATOM 1335 CD GLN A 94 5.789 4.106 35.713 1.00 0.00 C ATOM 1336 OE1 GLN A 94 6.472 5.130 35.731 1.00 0.00 O ATOM 1337 NE2 GLN A 94 4.834 3.867 36.605 1.00 0.00 N ATOM 0 H GLN A 94 8.577 3.255 32.729 1.00 0.00 H new ATOM 0 HA GLN A 94 8.478 0.795 33.828 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.438 1.804 35.646 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.132 3.187 34.824 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.874 3.489 33.667 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.241 2.273 34.757 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.292 3.005 36.553 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.643 4.546 37.342 1.00 0.00 H new ATOM 1346 N VAL A 95 5.617 1.433 32.327 1.00 0.00 N ATOM 1347 CA VAL A 95 4.392 0.820 31.829 1.00 0.00 C ATOM 1348 C VAL A 95 4.693 -0.450 31.042 1.00 0.00 C ATOM 1349 O VAL A 95 4.351 -1.553 31.470 1.00 0.00 O ATOM 1350 CB VAL A 95 3.603 1.792 30.931 1.00 0.00 C ATOM 1351 CG1 VAL A 95 2.270 1.181 30.524 1.00 0.00 C ATOM 1352 CG2 VAL A 95 3.394 3.122 31.640 1.00 0.00 C ATOM 0 H VAL A 95 5.746 2.405 32.046 1.00 0.00 H new ATOM 0 HA VAL A 95 3.787 0.569 32.700 1.00 0.00 H new ATOM 0 HB VAL A 95 4.183 1.975 30.027 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.727 1.882 29.890 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.446 0.256 29.974 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.681 0.966 31.416 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.835 3.796 30.991 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.835 2.959 32.562 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.362 3.565 31.876 1.00 0.00 H new ATOM 1362 N ILE A 96 5.335 -0.287 29.890 1.00 0.00 N ATOM 1363 CA ILE A 96 5.684 -1.422 29.044 1.00 0.00 C ATOM 1364 C ILE A 96 6.044 -2.643 29.883 1.00 0.00 C ATOM 1365 O ILE A 96 5.604 -3.757 29.598 1.00 0.00 O ATOM 1366 CB ILE A 96 6.865 -1.087 28.113 1.00 0.00 C ATOM 1367 CG1 ILE A 96 6.517 0.107 27.222 1.00 0.00 C ATOM 1368 CG2 ILE A 96 7.231 -2.297 27.267 1.00 0.00 C ATOM 1369 CD1 ILE A 96 6.984 1.433 27.780 1.00 0.00 C ATOM 0 H ILE A 96 5.624 0.619 29.521 1.00 0.00 H new ATOM 0 HA ILE A 96 4.806 -1.646 28.439 1.00 0.00 H new ATOM 0 HB ILE A 96 7.727 -0.821 28.724 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.963 -0.042 26.239 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.437 0.142 27.080 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.067 -2.045 26.614 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.515 -3.124 27.918 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.373 -2.590 26.662 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.703 2.234 27.097 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.518 1.604 28.750 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.068 1.418 27.896 1.00 0.00 H new ATOM 1381 N LYS A 97 6.845 -2.427 30.921 1.00 0.00 N ATOM 1382 CA LYS A 97 7.262 -3.509 31.805 1.00 0.00 C ATOM 1383 C LYS A 97 6.127 -4.505 32.018 1.00 0.00 C ATOM 1384 O LYS A 97 4.971 -4.119 32.193 1.00 0.00 O ATOM 1385 CB LYS A 97 7.720 -2.946 33.152 1.00 0.00 C ATOM 1386 CG LYS A 97 8.433 -3.963 34.026 1.00 0.00 C ATOM 1387 CD LYS A 97 8.300 -3.623 35.500 1.00 0.00 C ATOM 1388 CE LYS A 97 9.114 -4.572 36.367 1.00 0.00 C ATOM 1389 NZ LYS A 97 8.390 -5.847 36.624 1.00 0.00 N ATOM 0 H LYS A 97 7.219 -1.511 31.171 1.00 0.00 H new ATOM 0 HA LYS A 97 8.095 -4.030 31.333 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.386 -2.101 32.976 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.853 -2.562 33.689 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.020 -4.955 33.842 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.488 -4.001 33.754 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.632 -2.599 35.670 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.251 -3.671 35.792 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.064 -4.786 35.878 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.346 -4.088 37.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.978 -6.466 37.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.495 -5.645 37.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.191 -6.321 35.720 1.00 0.00 H new ATOM 1403 N LYS A 98 6.464 -5.791 32.003 1.00 0.00 N ATOM 1404 CA LYS A 98 5.474 -6.844 32.197 1.00 0.00 C ATOM 1405 C LYS A 98 5.980 -7.890 33.185 1.00 0.00 C ATOM 1406 O LYS A 98 7.101 -7.797 33.684 1.00 0.00 O ATOM 1407 CB LYS A 98 5.139 -7.510 30.860 1.00 0.00 C ATOM 1408 CG LYS A 98 6.307 -8.263 30.247 1.00 0.00 C ATOM 1409 CD LYS A 98 5.880 -9.049 29.018 1.00 0.00 C ATOM 1410 CE LYS A 98 5.203 -10.357 29.401 1.00 0.00 C ATOM 1411 NZ LYS A 98 5.141 -11.305 28.254 1.00 0.00 N ATOM 0 H LYS A 98 7.416 -6.129 31.858 1.00 0.00 H new ATOM 0 HA LYS A 98 4.572 -6.389 32.606 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.308 -8.201 31.006 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.800 -6.748 30.158 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.093 -7.558 29.975 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.731 -8.943 30.986 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.198 -8.447 28.418 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.751 -9.257 28.397 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.746 -10.819 30.225 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.194 -10.153 29.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.673 -12.184 28.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.601 -10.874 27.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.105 -11.520 27.929 1.00 0.00 H new ATOM 1425 N GLY A 99 5.145 -8.887 33.464 1.00 0.00 N ATOM 1426 CA GLY A 99 5.526 -9.936 34.390 1.00 0.00 C ATOM 1427 C GLY A 99 4.330 -10.570 35.072 1.00 0.00 C ATOM 1428 O GLY A 99 3.570 -11.311 34.448 1.00 0.00 O ATOM 0 H GLY A 99 4.212 -8.986 33.065 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.084 -10.704 33.855 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.195 -9.524 35.146 1.00 0.00 H new ATOM 1432 N LYS A 100 4.162 -10.281 36.358 1.00 0.00 N ATOM 1433 CA LYS A 100 3.050 -10.828 37.127 1.00 0.00 C ATOM 1434 C LYS A 100 2.017 -9.748 37.433 1.00 0.00 C ATOM 1435 O LYS A 100 2.337 -8.721 38.031 1.00 0.00 O ATOM 1436 CB LYS A 100 3.560 -11.446 38.431 1.00 0.00 C ATOM 1437 CG LYS A 100 3.970 -12.902 38.295 1.00 0.00 C ATOM 1438 CD LYS A 100 4.816 -13.355 39.473 1.00 0.00 C ATOM 1439 CE LYS A 100 5.544 -14.656 39.169 1.00 0.00 C ATOM 1440 NZ LYS A 100 4.603 -15.804 39.055 1.00 0.00 N ATOM 0 H LYS A 100 4.782 -9.671 36.890 1.00 0.00 H new ATOM 0 HA LYS A 100 2.572 -11.603 36.528 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.413 -10.869 38.787 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.782 -11.366 39.190 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.080 -13.527 38.224 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.530 -13.038 37.370 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.542 -12.580 39.721 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.181 -13.488 40.349 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.103 -14.551 38.239 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.270 -14.858 39.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.137 -16.672 38.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.088 -15.921 39.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.926 -15.623 38.287 1.00 0.00 H new ATOM 1454 N VAL A 101 0.777 -9.989 37.021 1.00 0.00 N ATOM 1455 CA VAL A 101 -0.304 -9.038 37.253 1.00 0.00 C ATOM 1456 C VAL A 101 -1.219 -9.511 38.377 1.00 0.00 C ATOM 1457 O VAL A 101 -1.915 -8.711 39.003 1.00 0.00 O ATOM 1458 CB VAL A 101 -1.143 -8.820 35.980 1.00 0.00 C ATOM 1459 CG1 VAL A 101 -0.319 -8.116 34.912 1.00 0.00 C ATOM 1460 CG2 VAL A 101 -1.680 -10.145 35.463 1.00 0.00 C ATOM 0 H VAL A 101 0.496 -10.835 36.525 1.00 0.00 H new ATOM 0 HA VAL A 101 0.160 -8.094 37.539 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.992 -8.183 36.229 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.928 -7.970 34.020 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.012 -7.148 35.287 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.550 -8.725 34.663 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.270 -9.972 34.563 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.848 -10.808 35.229 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.308 -10.606 36.226 1.00 0.00 H new ATOM 1470 N SER A 102 -1.213 -10.816 38.628 1.00 0.00 N ATOM 1471 CA SER A 102 -2.046 -11.397 39.675 1.00 0.00 C ATOM 1472 C SER A 102 -1.795 -10.708 41.013 1.00 0.00 C ATOM 1473 O SER A 102 -2.732 -10.380 41.740 1.00 0.00 O ATOM 1474 CB SER A 102 -1.772 -12.897 39.801 1.00 0.00 C ATOM 1475 OG SER A 102 -2.387 -13.432 40.960 1.00 0.00 O ATOM 0 H SER A 102 -0.641 -11.491 38.121 1.00 0.00 H new ATOM 0 HA SER A 102 -3.090 -11.248 39.399 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.145 -13.414 38.916 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.697 -13.071 39.843 1.00 0.00 H new ATOM 0 HG SER A 102 -2.198 -14.392 41.017 1.00 0.00 H new ATOM 1481 N SER A 103 -0.523 -10.494 41.331 1.00 0.00 N ATOM 1482 CA SER A 103 -0.146 -9.848 42.584 1.00 0.00 C ATOM 1483 C SER A 103 0.471 -8.477 42.324 1.00 0.00 C ATOM 1484 O SER A 103 1.477 -8.359 41.626 1.00 0.00 O ATOM 1485 CB SER A 103 0.839 -10.725 43.358 1.00 0.00 C ATOM 1486 OG SER A 103 2.077 -10.826 42.676 1.00 0.00 O ATOM 0 H SER A 103 0.265 -10.758 40.739 1.00 0.00 H new ATOM 0 HA SER A 103 -1.048 -9.714 43.181 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.001 -10.306 44.351 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.414 -11.719 43.496 1.00 0.00 H new ATOM 0 HG SER A 103 2.159 -10.088 42.036 1.00 0.00 H new ATOM 1492 N GLY A 104 -0.141 -7.442 42.892 1.00 0.00 N ATOM 1493 CA GLY A 104 0.361 -6.093 42.710 1.00 0.00 C ATOM 1494 C GLY A 104 -0.231 -5.115 43.706 1.00 0.00 C ATOM 1495 O GLY A 104 -1.432 -4.843 43.703 1.00 0.00 O ATOM 0 H GLY A 104 -0.975 -7.514 43.475 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.446 -6.096 42.810 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.135 -5.758 41.698 1.00 0.00 H new ATOM 1499 N PRO A 105 0.623 -4.570 44.585 1.00 0.00 N ATOM 1500 CA PRO A 105 0.199 -3.609 45.608 1.00 0.00 C ATOM 1501 C PRO A 105 -0.199 -2.264 45.011 1.00 0.00 C ATOM 1502 O PRO A 105 -0.574 -1.340 45.733 1.00 0.00 O ATOM 1503 CB PRO A 105 1.443 -3.457 46.488 1.00 0.00 C ATOM 1504 CG PRO A 105 2.584 -3.800 45.593 1.00 0.00 C ATOM 1505 CD PRO A 105 2.067 -4.848 44.647 1.00 0.00 C ATOM 0 HA PRO A 105 -0.683 -3.951 46.148 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.534 -2.441 46.874 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.402 -4.123 47.350 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.932 -2.921 45.050 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.431 -4.176 46.167 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.534 -4.768 43.665 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.267 -5.855 45.014 1.00 0.00 H new ATOM 1513 N SER A 106 -0.116 -2.161 43.689 1.00 0.00 N ATOM 1514 CA SER A 106 -0.465 -0.926 42.995 1.00 0.00 C ATOM 1515 C SER A 106 -1.701 -1.124 42.123 1.00 0.00 C ATOM 1516 O SER A 106 -1.781 -2.076 41.347 1.00 0.00 O ATOM 1517 CB SER A 106 0.708 -0.450 42.135 1.00 0.00 C ATOM 1518 OG SER A 106 0.606 0.935 41.855 1.00 0.00 O ATOM 0 H SER A 106 0.190 -2.917 43.076 1.00 0.00 H new ATOM 0 HA SER A 106 -0.688 -0.167 43.745 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.647 -0.652 42.651 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.730 -1.012 41.201 1.00 0.00 H new ATOM 0 HG SER A 106 1.368 1.215 41.306 1.00 0.00 H new ATOM 1524 N SER A 107 -2.664 -0.218 42.259 1.00 0.00 N ATOM 1525 CA SER A 107 -3.899 -0.293 41.487 1.00 0.00 C ATOM 1526 C SER A 107 -3.638 0.004 40.013 1.00 0.00 C ATOM 1527 O SER A 107 -3.161 1.081 39.661 1.00 0.00 O ATOM 1528 CB SER A 107 -4.933 0.689 42.042 1.00 0.00 C ATOM 1529 OG SER A 107 -5.560 0.169 43.201 1.00 0.00 O ATOM 0 H SER A 107 -2.613 0.577 42.897 1.00 0.00 H new ATOM 0 HA SER A 107 -4.290 -1.307 41.571 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.448 1.636 42.281 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.685 0.899 41.281 1.00 0.00 H new ATOM 0 HG SER A 107 -6.215 0.816 43.537 1.00 0.00 H new ATOM 1535 N GLY A 108 -3.956 -0.961 39.156 1.00 0.00 N ATOM 1536 CA GLY A 108 -3.749 -0.785 37.731 1.00 0.00 C ATOM 1537 C GLY A 108 -4.260 -1.960 36.921 1.00 0.00 C ATOM 1538 O GLY A 108 -5.473 -2.143 36.830 1.00 0.00 O ATOM 0 H GLY A 108 -4.353 -1.862 39.423 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.253 0.124 37.404 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.685 -0.648 37.536 1.00 0.00 H new TER 1542 GLY A 108 HETATM 1543 ZN ZN A 401 -4.956 0.253 7.026 1.00 0.00 ZN HETATM 1544 ZN ZN A 601 7.253 11.607 28.739 1.00 0.00 ZN