USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot -61:sc= -27.6! USER MOD Set 1.2: A 40 CYS SG : rot 28:sc= -29! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 90:sc= 1.23 USER MOD Set 3.1: A 23 HIS : no HD1:sc= -1.86 K(o=-1.6,f=-2.2) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 159:sc= 0.245 (180deg=-0.32) USER MOD Single : A 1 LEU N :NH3+ 178:sc= 0.0325 (180deg=0.0315) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.105 F(o=-1.6,f=-0.11) USER MOD Single : A 4 ASN :FLIP amide:sc=-0.00236 F(o=-0.72,f=-0.0024) USER MOD Single : A 5 THR OG1 : rot 44:sc= 0.692 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0852 (180deg=-0.528) USER MOD Single : A 31 TYR OH : rot -93:sc= 0.558 USER MOD Single : A 33 SER OG : rot 40:sc= 1.02 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.613 F(o=-3.3!,f=-0.61) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.0612 K(o=0.061,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.520 -0.582 0.275 1.00 14.23 N ATOM 2 CA LEU A 1 1.991 -0.598 -1.105 1.00 24.20 C ATOM 3 C LEU A 1 2.638 -1.937 -1.443 1.00 64.44 C ATOM 4 O LEU A 1 2.883 -2.759 -0.561 1.00 24.13 O ATOM 5 CB LEU A 1 2.990 0.537 -1.337 1.00 24.23 C ATOM 6 CG LEU A 1 2.964 1.182 -2.723 1.00 33.02 C ATOM 7 CD1 LEU A 1 1.779 2.127 -2.849 1.00 32.10 C ATOM 8 CD2 LEU A 1 4.267 1.919 -2.993 1.00 42.12 C ATOM 0 H1 LEU A 1 1.114 0.350 0.492 1.00 14.23 H new ATOM 0 H2 LEU A 1 0.793 -1.314 0.402 1.00 14.23 H new ATOM 0 H3 LEU A 1 2.317 -0.771 0.916 1.00 14.23 H new ATOM 0 HA LEU A 1 1.131 -0.455 -1.759 1.00 24.20 H new ATOM 0 HB2 LEU A 1 2.807 1.313 -0.594 1.00 24.23 H new ATOM 0 HB3 LEU A 1 3.994 0.153 -1.156 1.00 24.23 H new ATOM 0 HG LEU A 1 2.855 0.394 -3.468 1.00 33.02 H new ATOM 0 HD11 LEU A 1 1.776 2.577 -3.842 1.00 32.10 H new ATOM 0 HD12 LEU A 1 0.853 1.571 -2.700 1.00 32.10 H new ATOM 0 HD13 LEU A 1 1.857 2.911 -2.096 1.00 32.10 H new ATOM 0 HD21 LEU A 1 4.230 2.372 -3.984 1.00 42.12 H new ATOM 0 HD22 LEU A 1 4.407 2.698 -2.243 1.00 42.12 H new ATOM 0 HD23 LEU A 1 5.099 1.216 -2.946 1.00 42.12 H new ATOM 20 N GLN A 2 2.914 -2.148 -2.726 1.00 70.14 N ATOM 21 CA GLN A 2 3.534 -3.387 -3.180 1.00 62.25 C ATOM 22 C GLN A 2 4.692 -3.100 -4.131 1.00 30.02 C ATOM 23 O GLN A 2 4.692 -2.094 -4.840 1.00 53.34 O ATOM 24 CB GLN A 2 2.500 -4.276 -3.872 1.00 74.53 C ATOM 25 CG GLN A 2 1.808 -5.250 -2.932 1.00 24.42 C ATOM 26 CD GLN A 2 0.910 -6.229 -3.662 1.00 53.22 C ATOM 27 OE1 GLN A 2 1.448 -6.872 -4.692 1.00 44.32 O flip ATOM 28 NE2 GLN A 2 -0.256 -6.405 -3.305 1.00 33.02 N flip ATOM 0 H GLN A 2 2.718 -1.477 -3.469 1.00 70.14 H new ATOM 0 HA GLN A 2 3.925 -3.909 -2.307 1.00 62.25 H new ATOM 0 HB2 GLN A 2 1.748 -3.644 -4.345 1.00 74.53 H new ATOM 0 HB3 GLN A 2 2.990 -4.838 -4.667 1.00 74.53 H new ATOM 0 HG2 GLN A 2 2.561 -5.803 -2.370 1.00 24.42 H new ATOM 0 HG3 GLN A 2 1.216 -4.691 -2.207 1.00 24.42 H new ATOM 0 HE21 GLN A 2 -0.629 -5.889 -2.508 1.00 33.02 H new ATOM 0 HE22 GLN A 2 -0.849 -7.066 -3.807 1.00 33.02 H new ATOM 37 N CYS A 3 5.678 -3.990 -4.139 1.00 65.25 N ATOM 38 CA CYS A 3 6.844 -3.833 -5.002 1.00 15.14 C ATOM 39 C CYS A 3 7.210 -5.156 -5.667 1.00 62.24 C ATOM 40 O CYS A 3 7.086 -6.221 -5.064 1.00 64.34 O ATOM 41 CB CYS A 3 8.033 -3.308 -4.196 1.00 24.14 C ATOM 42 SG CYS A 3 7.604 -2.002 -3.000 1.00 74.41 S ATOM 0 H CYS A 3 5.694 -4.828 -3.558 1.00 65.25 H new ATOM 0 HA CYS A 3 6.595 -3.112 -5.781 1.00 15.14 H new ATOM 0 HB2 CYS A 3 8.491 -4.140 -3.660 1.00 24.14 H new ATOM 0 HB3 CYS A 3 8.783 -2.922 -4.886 1.00 24.14 H new ATOM 47 N ASN A 4 7.662 -5.079 -6.915 1.00 22.31 N ATOM 48 CA ASN A 4 8.047 -6.270 -7.663 1.00 72.53 C ATOM 49 C ASN A 4 9.407 -6.786 -7.203 1.00 70.32 C ATOM 50 O ASN A 4 10.224 -6.032 -6.674 1.00 15.24 O ATOM 51 CB ASN A 4 8.085 -5.966 -9.162 1.00 74.33 C ATOM 52 CG ASN A 4 6.710 -5.662 -9.725 1.00 52.32 C ATOM 53 OD1 ASN A 4 6.220 -4.455 -9.468 1.00 3.24 O flip ATOM 54 ND2 ASN A 4 6.096 -6.502 -10.384 1.00 54.41 N flip ATOM 0 H ASN A 4 7.770 -4.205 -7.429 1.00 22.31 H new ATOM 0 HA ASN A 4 7.302 -7.043 -7.474 1.00 72.53 H new ATOM 0 HB2 ASN A 4 8.744 -5.116 -9.341 1.00 74.33 H new ATOM 0 HB3 ASN A 4 8.512 -6.818 -9.692 1.00 74.33 H new ATOM 0 HD21 ASN A 4 6.511 -7.417 -10.557 1.00 54.41 H new ATOM 0 HD22 ASN A 4 5.172 -6.282 -10.757 1.00 54.41 H new ATOM 61 N THR A 5 9.645 -8.078 -7.410 1.00 33.04 N ATOM 62 CA THR A 5 10.905 -8.696 -7.016 1.00 52.42 C ATOM 63 C THR A 5 11.626 -9.288 -8.221 1.00 63.50 C ATOM 64 O THR A 5 11.042 -9.441 -9.294 1.00 73.34 O ATOM 65 CB THR A 5 10.685 -9.803 -5.968 1.00 54.31 C ATOM 66 OG1 THR A 5 9.294 -10.136 -5.892 1.00 61.12 O ATOM 67 CG2 THR A 5 11.180 -9.359 -4.600 1.00 23.10 C ATOM 0 H THR A 5 8.981 -8.716 -7.848 1.00 33.04 H new ATOM 0 HA THR A 5 11.520 -7.910 -6.578 1.00 52.42 H new ATOM 0 HB THR A 5 11.253 -10.681 -6.275 1.00 54.31 H new ATOM 0 HG1 THR A 5 8.924 -10.203 -6.797 1.00 61.12 H new ATOM 0 HG21 THR A 5 11.014 -10.157 -3.876 1.00 23.10 H new ATOM 0 HG22 THR A 5 12.245 -9.134 -4.654 1.00 23.10 H new ATOM 0 HG23 THR A 5 10.636 -8.467 -4.288 1.00 23.10 H new ATOM 75 N LEU A 6 12.899 -9.622 -8.037 1.00 41.43 N ATOM 76 CA LEU A 6 13.701 -10.199 -9.110 1.00 62.32 C ATOM 77 C LEU A 6 13.188 -11.585 -9.488 1.00 72.03 C ATOM 78 O LEU A 6 13.409 -12.057 -10.604 1.00 14.41 O ATOM 79 CB LEU A 6 15.169 -10.285 -8.687 1.00 52.42 C ATOM 80 CG LEU A 6 15.491 -11.287 -7.579 1.00 34.34 C ATOM 81 CD1 LEU A 6 16.858 -11.912 -7.805 1.00 24.51 C ATOM 82 CD2 LEU A 6 15.429 -10.613 -6.216 1.00 21.54 C ATOM 0 H LEU A 6 13.398 -9.503 -7.155 1.00 41.43 H new ATOM 0 HA LEU A 6 13.617 -9.550 -9.982 1.00 62.32 H new ATOM 0 HB2 LEU A 6 15.764 -10.540 -9.564 1.00 52.42 H new ATOM 0 HB3 LEU A 6 15.490 -9.296 -8.360 1.00 52.42 H new ATOM 0 HG LEU A 6 14.744 -12.080 -7.604 1.00 34.34 H new ATOM 0 HD11 LEU A 6 17.070 -12.623 -7.006 1.00 24.51 H new ATOM 0 HD12 LEU A 6 16.867 -12.431 -8.764 1.00 24.51 H new ATOM 0 HD13 LEU A 6 17.619 -11.132 -7.808 1.00 24.51 H new ATOM 0 HD21 LEU A 6 15.661 -11.341 -5.439 1.00 21.54 H new ATOM 0 HD22 LEU A 6 16.154 -9.800 -6.179 1.00 21.54 H new ATOM 0 HD23 LEU A 6 14.428 -10.214 -6.052 1.00 21.54 H new ATOM 94 N ASP A 7 12.501 -12.231 -8.553 1.00 35.01 N ATOM 95 CA ASP A 7 11.952 -13.562 -8.789 1.00 3.42 C ATOM 96 C ASP A 7 10.696 -13.487 -9.650 1.00 53.35 C ATOM 97 O ASP A 7 10.132 -14.511 -10.035 1.00 2.44 O ATOM 98 CB ASP A 7 11.634 -14.248 -7.460 1.00 22.43 C ATOM 99 CG ASP A 7 11.351 -15.729 -7.626 1.00 43.50 C ATOM 100 OD1 ASP A 7 12.237 -16.448 -8.133 1.00 72.01 O ATOM 101 OD2 ASP A 7 10.244 -16.167 -7.250 1.00 30.22 O ATOM 0 H ASP A 7 12.311 -11.855 -7.624 1.00 35.01 H new ATOM 0 HA ASP A 7 12.701 -14.148 -9.322 1.00 3.42 H new ATOM 0 HB2 ASP A 7 12.473 -14.116 -6.776 1.00 22.43 H new ATOM 0 HB3 ASP A 7 10.771 -13.765 -7.003 1.00 22.43 H new ATOM 106 N GLY A 8 10.261 -12.266 -9.950 1.00 21.23 N ATOM 107 CA GLY A 8 9.073 -12.080 -10.763 1.00 25.24 C ATOM 108 C GLY A 8 7.806 -12.021 -9.933 1.00 3.01 C ATOM 109 O GLY A 8 6.721 -11.782 -10.460 1.00 40.35 O ATOM 0 H GLY A 8 10.710 -11.403 -9.644 1.00 21.23 H new ATOM 0 HA2 GLY A 8 9.170 -11.159 -11.338 1.00 25.24 H new ATOM 0 HA3 GLY A 8 8.996 -12.897 -11.481 1.00 25.24 H new ATOM 113 N GLY A 9 7.944 -12.241 -8.629 1.00 34.42 N ATOM 114 CA GLY A 9 6.792 -12.209 -7.746 1.00 24.32 C ATOM 115 C GLY A 9 6.529 -10.825 -7.187 1.00 31.23 C ATOM 116 O GLY A 9 7.261 -9.879 -7.479 1.00 53.11 O ATOM 0 H GLY A 9 8.832 -12.441 -8.168 1.00 34.42 H new ATOM 0 HA2 GLY A 9 5.912 -12.551 -8.290 1.00 24.32 H new ATOM 0 HA3 GLY A 9 6.949 -12.906 -6.923 1.00 24.32 H new ATOM 120 N THR A 10 5.479 -10.704 -6.380 1.00 73.34 N ATOM 121 CA THR A 10 5.118 -9.426 -5.781 1.00 43.54 C ATOM 122 C THR A 10 5.301 -9.456 -4.268 1.00 64.04 C ATOM 123 O THR A 10 5.070 -10.480 -3.627 1.00 70.41 O ATOM 124 CB THR A 10 3.661 -9.045 -6.103 1.00 73.42 C ATOM 125 OG1 THR A 10 2.829 -10.210 -6.054 1.00 54.33 O ATOM 126 CG2 THR A 10 3.560 -8.401 -7.478 1.00 22.34 C ATOM 0 H THR A 10 4.864 -11.477 -6.126 1.00 73.34 H new ATOM 0 HA THR A 10 5.784 -8.678 -6.210 1.00 43.54 H new ATOM 0 HB THR A 10 3.323 -8.325 -5.357 1.00 73.42 H new ATOM 0 HG1 THR A 10 1.904 -9.960 -6.258 1.00 54.33 H new ATOM 0 HG21 THR A 10 2.521 -8.141 -7.683 1.00 22.34 H new ATOM 0 HG22 THR A 10 4.172 -7.499 -7.503 1.00 22.34 H new ATOM 0 HG23 THR A 10 3.914 -9.101 -8.235 1.00 22.34 H new ATOM 134 N GLU A 11 5.718 -8.326 -3.704 1.00 75.53 N ATOM 135 CA GLU A 11 5.931 -8.226 -2.265 1.00 44.44 C ATOM 136 C GLU A 11 5.201 -7.016 -1.690 1.00 53.43 C ATOM 137 O GLU A 11 5.070 -5.986 -2.351 1.00 1.44 O ATOM 138 CB GLU A 11 7.426 -8.127 -1.955 1.00 65.12 C ATOM 139 CG GLU A 11 8.277 -9.113 -2.739 1.00 12.13 C ATOM 140 CD GLU A 11 9.441 -9.650 -1.930 1.00 24.31 C ATOM 141 OE1 GLU A 11 10.364 -8.866 -1.626 1.00 44.44 O ATOM 142 OE2 GLU A 11 9.430 -10.855 -1.601 1.00 3.22 O ATOM 0 H GLU A 11 5.915 -7.469 -4.221 1.00 75.53 H new ATOM 0 HA GLU A 11 5.529 -9.126 -1.800 1.00 44.44 H new ATOM 0 HB2 GLU A 11 7.767 -7.114 -2.170 1.00 65.12 H new ATOM 0 HB3 GLU A 11 7.579 -8.295 -0.889 1.00 65.12 H new ATOM 0 HG2 GLU A 11 7.653 -9.944 -3.068 1.00 12.13 H new ATOM 0 HG3 GLU A 11 8.657 -8.626 -3.637 1.00 12.13 H new ATOM 149 N GLU A 12 4.726 -7.150 -0.456 1.00 3.13 N ATOM 150 CA GLU A 12 4.008 -6.068 0.208 1.00 74.34 C ATOM 151 C GLU A 12 4.972 -5.151 0.953 1.00 25.04 C ATOM 152 O GLU A 12 5.548 -5.534 1.972 1.00 4.44 O ATOM 153 CB GLU A 12 2.971 -6.636 1.180 1.00 4.21 C ATOM 154 CG GLU A 12 2.015 -7.628 0.540 1.00 25.31 C ATOM 155 CD GLU A 12 0.783 -7.880 1.387 1.00 71.14 C ATOM 156 OE1 GLU A 12 -0.129 -7.027 1.374 1.00 73.14 O ATOM 157 OE2 GLU A 12 0.730 -8.929 2.062 1.00 63.11 O ATOM 0 H GLU A 12 4.825 -7.997 0.104 1.00 3.13 H new ATOM 0 HA GLU A 12 3.497 -5.483 -0.556 1.00 74.34 H new ATOM 0 HB2 GLU A 12 3.489 -7.124 2.006 1.00 4.21 H new ATOM 0 HB3 GLU A 12 2.396 -5.814 1.606 1.00 4.21 H new ATOM 0 HG2 GLU A 12 1.709 -7.254 -0.437 1.00 25.31 H new ATOM 0 HG3 GLU A 12 2.535 -8.571 0.372 1.00 25.31 H new ATOM 164 N CYS A 13 5.144 -3.938 0.438 1.00 65.40 N ATOM 165 CA CYS A 13 6.040 -2.966 1.053 1.00 54.44 C ATOM 166 C CYS A 13 5.283 -2.074 2.033 1.00 22.13 C ATOM 167 O CYS A 13 4.450 -1.261 1.633 1.00 51.23 O ATOM 168 CB CYS A 13 6.709 -2.107 -0.022 1.00 50.03 C ATOM 169 SG CYS A 13 7.770 -3.044 -1.169 1.00 21.34 S ATOM 0 H CYS A 13 4.674 -3.605 -0.404 1.00 65.40 H new ATOM 0 HA CYS A 13 6.807 -3.512 1.602 1.00 54.44 H new ATOM 0 HB2 CYS A 13 5.936 -1.594 -0.595 1.00 50.03 H new ATOM 0 HB3 CYS A 13 7.309 -1.337 0.464 1.00 50.03 H new ATOM 174 N ILE A 14 5.580 -2.233 3.319 1.00 70.14 N ATOM 175 CA ILE A 14 4.929 -1.442 4.356 1.00 65.22 C ATOM 176 C ILE A 14 5.378 0.014 4.299 1.00 51.20 C ATOM 177 O ILE A 14 6.535 0.323 4.013 1.00 72.34 O ATOM 178 CB ILE A 14 5.223 -2.004 5.759 1.00 4.35 C ATOM 179 CG1 ILE A 14 6.732 -2.032 6.016 1.00 54.41 C ATOM 180 CG2 ILE A 14 4.630 -3.396 5.908 1.00 75.52 C ATOM 181 CD1 ILE A 14 7.264 -0.755 6.628 1.00 21.13 C ATOM 0 H ILE A 14 6.267 -2.902 3.667 1.00 70.14 H new ATOM 0 HA ILE A 14 3.857 -1.496 4.169 1.00 65.22 H new ATOM 0 HB ILE A 14 4.759 -1.352 6.499 1.00 4.35 H new ATOM 0 HG12 ILE A 14 6.964 -2.867 6.677 1.00 54.41 H new ATOM 0 HG13 ILE A 14 7.249 -2.217 5.075 1.00 54.41 H new ATOM 0 HG21 ILE A 14 4.847 -3.779 6.905 1.00 75.52 H new ATOM 0 HG22 ILE A 14 3.551 -3.349 5.764 1.00 75.52 H new ATOM 0 HG23 ILE A 14 5.067 -4.059 5.162 1.00 75.52 H new ATOM 0 HD11 ILE A 14 8.339 -0.846 6.782 1.00 21.13 H new ATOM 0 HD12 ILE A 14 7.063 0.081 5.958 1.00 21.13 H new ATOM 0 HD13 ILE A 14 6.774 -0.579 7.585 1.00 21.13 H new ATOM 193 N PRO A 15 4.442 0.933 4.580 1.00 72.11 N ATOM 194 CA PRO A 15 4.717 2.373 4.570 1.00 64.42 C ATOM 195 C PRO A 15 5.621 2.798 5.722 1.00 14.03 C ATOM 196 O PRO A 15 5.667 2.142 6.762 1.00 2.00 O ATOM 197 CB PRO A 15 3.329 3.001 4.718 1.00 23.53 C ATOM 198 CG PRO A 15 2.515 1.961 5.408 1.00 2.24 C ATOM 199 CD PRO A 15 3.042 0.637 4.929 1.00 23.25 C ATOM 0 HA PRO A 15 5.244 2.681 3.667 1.00 64.42 H new ATOM 0 HB2 PRO A 15 3.371 3.922 5.300 1.00 23.53 H new ATOM 0 HB3 PRO A 15 2.904 3.257 3.747 1.00 23.53 H new ATOM 0 HG2 PRO A 15 2.606 2.049 6.491 1.00 2.24 H new ATOM 0 HG3 PRO A 15 1.457 2.070 5.168 1.00 2.24 H new ATOM 0 HD2 PRO A 15 2.974 -0.127 5.704 1.00 23.25 H new ATOM 0 HD3 PRO A 15 2.483 0.269 4.069 1.00 23.25 H new ATOM 207 N GLY A 16 6.337 3.901 5.531 1.00 43.54 N ATOM 208 CA GLY A 16 7.229 4.395 6.563 1.00 3.43 C ATOM 209 C GLY A 16 8.681 4.056 6.287 1.00 55.23 C ATOM 210 O GLY A 16 9.549 4.927 6.340 1.00 43.34 O ATOM 0 H GLY A 16 6.315 4.462 4.679 1.00 43.54 H new ATOM 0 HA2 GLY A 16 7.121 5.477 6.645 1.00 3.43 H new ATOM 0 HA3 GLY A 16 6.937 3.972 7.524 1.00 3.43 H new ATOM 214 N ILE A 17 8.944 2.788 5.993 1.00 63.42 N ATOM 215 CA ILE A 17 10.301 2.336 5.708 1.00 55.02 C ATOM 216 C ILE A 17 10.642 2.518 4.233 1.00 71.43 C ATOM 217 O ILE A 17 11.467 3.359 3.875 1.00 72.44 O ATOM 218 CB ILE A 17 10.493 0.856 6.089 1.00 1.43 C ATOM 219 CG1 ILE A 17 10.036 0.615 7.529 1.00 23.24 C ATOM 220 CG2 ILE A 17 11.949 0.449 5.914 1.00 15.31 C ATOM 221 CD1 ILE A 17 10.165 -0.827 7.970 1.00 13.53 C ATOM 0 H ILE A 17 8.236 2.055 5.946 1.00 63.42 H new ATOM 0 HA ILE A 17 10.971 2.948 6.312 1.00 55.02 H new ATOM 0 HB ILE A 17 9.883 0.243 5.426 1.00 1.43 H new ATOM 0 HG12 ILE A 17 10.622 1.245 8.198 1.00 23.24 H new ATOM 0 HG13 ILE A 17 8.996 0.925 7.628 1.00 23.24 H new ATOM 0 HG21 ILE A 17 12.069 -0.599 6.187 1.00 15.31 H new ATOM 0 HG22 ILE A 17 12.243 0.589 4.874 1.00 15.31 H new ATOM 0 HG23 ILE A 17 12.579 1.065 6.556 1.00 15.31 H new ATOM 0 HD11 ILE A 17 9.823 -0.924 9.000 1.00 13.53 H new ATOM 0 HD12 ILE A 17 9.557 -1.461 7.325 1.00 13.53 H new ATOM 0 HD13 ILE A 17 11.208 -1.136 7.903 1.00 13.53 H new ATOM 233 N TYR A 18 10.001 1.725 3.381 1.00 12.11 N ATOM 234 CA TYR A 18 10.237 1.798 1.944 1.00 34.30 C ATOM 235 C TYR A 18 9.260 2.763 1.280 1.00 75.13 C ATOM 236 O TYR A 18 8.047 2.560 1.318 1.00 72.14 O ATOM 237 CB TYR A 18 10.107 0.410 1.314 1.00 25.21 C ATOM 238 CG TYR A 18 10.786 -0.682 2.110 1.00 31.03 C ATOM 239 CD1 TYR A 18 12.125 -0.581 2.465 1.00 45.24 C ATOM 240 CD2 TYR A 18 10.087 -1.815 2.509 1.00 14.41 C ATOM 241 CE1 TYR A 18 12.749 -1.576 3.191 1.00 23.32 C ATOM 242 CE2 TYR A 18 10.702 -2.814 3.237 1.00 31.53 C ATOM 243 CZ TYR A 18 12.033 -2.691 3.575 1.00 4.04 C ATOM 244 OH TYR A 18 12.651 -3.684 4.301 1.00 71.25 O ATOM 0 H TYR A 18 9.314 1.025 3.661 1.00 12.11 H new ATOM 0 HA TYR A 18 11.250 2.169 1.786 1.00 34.30 H new ATOM 0 HB2 TYR A 18 9.050 0.166 1.207 1.00 25.21 H new ATOM 0 HB3 TYR A 18 10.532 0.434 0.310 1.00 25.21 H new ATOM 0 HD1 TYR A 18 12.688 0.291 2.168 1.00 45.24 H new ATOM 0 HD2 TYR A 18 9.045 -1.916 2.245 1.00 14.41 H new ATOM 0 HE1 TYR A 18 13.792 -1.482 3.457 1.00 23.32 H new ATOM 0 HE2 TYR A 18 10.143 -3.687 3.540 1.00 31.53 H new ATOM 0 HH TYR A 18 12.008 -4.398 4.492 1.00 71.25 H new ATOM 254 N ASN A 19 9.798 3.814 0.670 1.00 4.15 N ATOM 255 CA ASN A 19 8.975 4.812 -0.003 1.00 65.02 C ATOM 256 C ASN A 19 9.337 4.907 -1.482 1.00 44.02 C ATOM 257 O ASN A 19 8.625 5.533 -2.268 1.00 23.42 O ATOM 258 CB ASN A 19 9.146 6.178 0.664 1.00 52.41 C ATOM 259 CG ASN A 19 10.240 7.005 0.017 1.00 25.02 C ATOM 260 OD1 ASN A 19 10.045 7.588 -1.049 1.00 43.32 O ATOM 261 ND2 ASN A 19 11.400 7.058 0.662 1.00 43.32 N ATOM 0 H ASN A 19 10.801 3.997 0.628 1.00 4.15 H new ATOM 0 HA ASN A 19 7.933 4.503 0.079 1.00 65.02 H new ATOM 0 HB2 ASN A 19 8.204 6.724 0.614 1.00 52.41 H new ATOM 0 HB3 ASN A 19 9.377 6.037 1.720 1.00 52.41 H new ATOM 0 HD21 ASN A 19 12.174 7.598 0.276 1.00 43.32 H new ATOM 0 HD22 ASN A 19 11.517 6.558 1.544 1.00 43.32 H new ATOM 268 N VAL A 20 10.449 4.281 -1.855 1.00 42.22 N ATOM 269 CA VAL A 20 10.905 4.293 -3.240 1.00 5.20 C ATOM 270 C VAL A 20 10.889 2.890 -3.836 1.00 45.11 C ATOM 271 O VAL A 20 10.617 1.911 -3.141 1.00 12.24 O ATOM 272 CB VAL A 20 12.328 4.873 -3.357 1.00 73.23 C ATOM 273 CG1 VAL A 20 12.301 6.387 -3.216 1.00 53.02 C ATOM 274 CG2 VAL A 20 13.245 4.248 -2.316 1.00 55.33 C ATOM 0 H VAL A 20 11.050 3.759 -1.217 1.00 42.22 H new ATOM 0 HA VAL A 20 10.215 4.928 -3.795 1.00 5.20 H new ATOM 0 HB VAL A 20 12.720 4.632 -4.345 1.00 73.23 H new ATOM 0 HG11 VAL A 20 13.315 6.778 -3.301 1.00 53.02 H new ATOM 0 HG12 VAL A 20 11.679 6.815 -4.003 1.00 53.02 H new ATOM 0 HG13 VAL A 20 11.889 6.654 -2.243 1.00 53.02 H new ATOM 0 HG21 VAL A 20 14.246 4.669 -2.413 1.00 55.33 H new ATOM 0 HG22 VAL A 20 12.859 4.457 -1.318 1.00 55.33 H new ATOM 0 HG23 VAL A 20 13.289 3.170 -2.470 1.00 55.33 H new ATOM 284 N CYS A 21 11.184 2.799 -5.129 1.00 11.14 N ATOM 285 CA CYS A 21 11.204 1.516 -5.820 1.00 71.13 C ATOM 286 C CYS A 21 12.010 1.607 -7.113 1.00 3.04 C ATOM 287 O CYS A 21 11.921 2.593 -7.844 1.00 64.05 O ATOM 288 CB CYS A 21 9.777 1.056 -6.128 1.00 4.33 C ATOM 289 SG CYS A 21 8.732 2.337 -6.892 1.00 50.34 S ATOM 0 H CYS A 21 11.412 3.599 -5.719 1.00 11.14 H new ATOM 0 HA CYS A 21 11.681 0.787 -5.165 1.00 71.13 H new ATOM 0 HB2 CYS A 21 9.820 0.193 -6.793 1.00 4.33 H new ATOM 0 HB3 CYS A 21 9.307 0.722 -5.203 1.00 4.33 H new ATOM 294 N VAL A 22 12.797 0.571 -7.387 1.00 1.40 N ATOM 295 CA VAL A 22 13.618 0.533 -8.591 1.00 44.11 C ATOM 296 C VAL A 22 13.440 -0.785 -9.336 1.00 40.13 C ATOM 297 O VAL A 22 13.359 -1.850 -8.724 1.00 75.54 O ATOM 298 CB VAL A 22 15.110 0.725 -8.259 1.00 62.32 C ATOM 299 CG1 VAL A 22 15.981 0.183 -9.382 1.00 62.14 C ATOM 300 CG2 VAL A 22 15.413 2.193 -7.999 1.00 64.51 C ATOM 0 H VAL A 22 12.883 -0.253 -6.791 1.00 1.40 H new ATOM 0 HA VAL A 22 13.286 1.354 -9.227 1.00 44.11 H new ATOM 0 HB VAL A 22 15.338 0.165 -7.352 1.00 62.32 H new ATOM 0 HG11 VAL A 22 17.032 0.327 -9.130 1.00 62.14 H new ATOM 0 HG12 VAL A 22 15.783 -0.880 -9.515 1.00 62.14 H new ATOM 0 HG13 VAL A 22 15.754 0.713 -10.307 1.00 62.14 H new ATOM 0 HG21 VAL A 22 16.471 2.310 -7.766 1.00 64.51 H new ATOM 0 HG22 VAL A 22 15.170 2.777 -8.886 1.00 64.51 H new ATOM 0 HG23 VAL A 22 14.815 2.544 -7.158 1.00 64.51 H new ATOM 310 N HIS A 23 13.381 -0.706 -10.662 1.00 15.42 N ATOM 311 CA HIS A 23 13.213 -1.893 -11.492 1.00 72.10 C ATOM 312 C HIS A 23 14.320 -1.986 -12.538 1.00 10.33 C ATOM 313 O HIS A 23 14.384 -1.175 -13.462 1.00 74.02 O ATOM 314 CB HIS A 23 11.847 -1.872 -12.179 1.00 30.31 C ATOM 315 CG HIS A 23 11.599 -3.062 -13.054 1.00 53.14 C ATOM 316 ND1 HIS A 23 10.523 -3.153 -13.913 1.00 24.22 N ATOM 317 CD2 HIS A 23 12.295 -4.213 -13.202 1.00 61.13 C ATOM 318 CE1 HIS A 23 10.568 -4.310 -14.550 1.00 2.24 C ATOM 319 NE2 HIS A 23 11.634 -4.972 -14.137 1.00 1.32 N ATOM 0 H HIS A 23 13.447 0.168 -11.184 1.00 15.42 H new ATOM 0 HA HIS A 23 13.273 -2.769 -10.846 1.00 72.10 H new ATOM 0 HB2 HIS A 23 11.068 -1.822 -11.419 1.00 30.31 H new ATOM 0 HB3 HIS A 23 11.765 -0.966 -12.780 1.00 30.31 H new ATOM 0 HD2 HIS A 23 13.202 -4.484 -12.682 1.00 61.13 H new ATOM 0 HE1 HIS A 23 9.855 -4.656 -15.284 1.00 2.24 H new ATOM 0 HE2 HIS A 23 11.920 -5.896 -14.460 1.00 1.32 H new ATOM 327 N TYR A 24 15.190 -2.978 -12.385 1.00 1.45 N ATOM 328 CA TYR A 24 16.297 -3.174 -13.314 1.00 15.04 C ATOM 329 C TYR A 24 16.000 -4.316 -14.281 1.00 31.15 C ATOM 330 O TYR A 24 15.869 -5.471 -13.875 1.00 34.21 O ATOM 331 CB TYR A 24 17.588 -3.462 -12.547 1.00 65.32 C ATOM 332 CG TYR A 24 18.825 -3.448 -13.417 1.00 72.45 C ATOM 333 CD1 TYR A 24 19.069 -4.468 -14.329 1.00 34.21 C ATOM 334 CD2 TYR A 24 19.749 -2.414 -13.329 1.00 32.41 C ATOM 335 CE1 TYR A 24 20.197 -4.460 -15.125 1.00 42.24 C ATOM 336 CE2 TYR A 24 20.880 -2.397 -14.122 1.00 54.14 C ATOM 337 CZ TYR A 24 21.100 -3.422 -15.019 1.00 35.03 C ATOM 338 OH TYR A 24 22.224 -3.409 -15.811 1.00 63.23 O ATOM 0 H TYR A 24 15.150 -3.659 -11.627 1.00 1.45 H new ATOM 0 HA TYR A 24 16.422 -2.257 -13.891 1.00 15.04 H new ATOM 0 HB2 TYR A 24 17.703 -2.722 -11.755 1.00 65.32 H new ATOM 0 HB3 TYR A 24 17.504 -4.436 -12.064 1.00 65.32 H new ATOM 0 HD1 TYR A 24 18.364 -5.281 -14.417 1.00 34.21 H new ATOM 0 HD2 TYR A 24 19.580 -1.610 -12.628 1.00 32.41 H new ATOM 0 HE1 TYR A 24 20.372 -5.262 -15.827 1.00 42.24 H new ATOM 0 HE2 TYR A 24 21.588 -1.586 -14.040 1.00 54.14 H new ATOM 0 HH TYR A 24 22.754 -2.609 -15.613 1.00 63.23 H new ATOM 348 N LYS A 25 15.896 -3.985 -15.563 1.00 52.20 N ATOM 349 CA LYS A 25 15.617 -4.981 -16.591 1.00 13.41 C ATOM 350 C LYS A 25 16.638 -4.898 -17.720 1.00 44.34 C ATOM 351 O LYS A 25 16.714 -3.895 -18.430 1.00 15.52 O ATOM 352 CB LYS A 25 14.206 -4.785 -17.150 1.00 14.21 C ATOM 353 CG LYS A 25 13.629 -6.032 -17.797 1.00 63.20 C ATOM 354 CD LYS A 25 12.428 -5.705 -18.668 1.00 12.55 C ATOM 355 CE LYS A 25 12.847 -5.031 -19.965 1.00 71.03 C ATOM 356 NZ LYS A 25 13.719 -5.912 -20.791 1.00 1.33 N ATOM 0 H LYS A 25 16.001 -3.034 -15.916 1.00 52.20 H new ATOM 0 HA LYS A 25 15.687 -5.968 -16.134 1.00 13.41 H new ATOM 0 HB2 LYS A 25 13.546 -4.466 -16.343 1.00 14.21 H new ATOM 0 HB3 LYS A 25 14.224 -3.980 -17.885 1.00 14.21 H new ATOM 0 HG2 LYS A 25 14.396 -6.517 -18.401 1.00 63.20 H new ATOM 0 HG3 LYS A 25 13.336 -6.742 -17.023 1.00 63.20 H new ATOM 0 HD2 LYS A 25 11.880 -6.620 -18.893 1.00 12.55 H new ATOM 0 HD3 LYS A 25 11.747 -5.052 -18.121 1.00 12.55 H new ATOM 0 HE2 LYS A 25 11.959 -4.760 -20.537 1.00 71.03 H new ATOM 0 HE3 LYS A 25 13.376 -4.105 -19.739 1.00 71.03 H new ATOM 0 HZ1 LYS A 25 13.682 -5.605 -21.784 1.00 1.33 H new ATOM 0 HZ2 LYS A 25 14.698 -5.852 -20.447 1.00 1.33 H new ATOM 0 HZ3 LYS A 25 13.386 -6.895 -20.720 1.00 1.33 H new ATOM 370 N SER A 26 17.422 -5.959 -17.882 1.00 42.04 N ATOM 371 CA SER A 26 18.441 -6.005 -18.925 1.00 0.23 C ATOM 372 C SER A 26 18.396 -7.335 -19.670 1.00 25.43 C ATOM 373 O SER A 26 17.844 -8.317 -19.175 1.00 75.10 O ATOM 374 CB SER A 26 19.830 -5.793 -18.319 1.00 51.53 C ATOM 375 OG SER A 26 20.052 -4.426 -18.019 1.00 12.42 O ATOM 0 H SER A 26 17.371 -6.798 -17.305 1.00 42.04 H new ATOM 0 HA SER A 26 18.236 -5.204 -19.635 1.00 0.23 H new ATOM 0 HB2 SER A 26 19.929 -6.389 -17.411 1.00 51.53 H new ATOM 0 HB3 SER A 26 20.592 -6.144 -19.015 1.00 51.53 H new ATOM 0 HG SER A 26 19.746 -4.237 -17.107 1.00 12.42 H new ATOM 381 N GLU A 27 18.983 -7.359 -20.862 1.00 42.44 N ATOM 382 CA GLU A 27 19.010 -8.568 -21.677 1.00 33.15 C ATOM 383 C GLU A 27 20.021 -9.571 -21.129 1.00 5.44 C ATOM 384 O GLU A 27 20.011 -10.745 -21.499 1.00 12.33 O ATOM 385 CB GLU A 27 19.350 -8.225 -23.128 1.00 61.13 C ATOM 386 CG GLU A 27 20.659 -7.470 -23.284 1.00 42.33 C ATOM 387 CD GLU A 27 21.075 -7.316 -24.735 1.00 30.35 C ATOM 388 OE1 GLU A 27 21.201 -8.348 -25.427 1.00 51.12 O ATOM 389 OE2 GLU A 27 21.275 -6.166 -25.177 1.00 14.34 O ATOM 0 H GLU A 27 19.446 -6.555 -21.285 1.00 42.44 H new ATOM 0 HA GLU A 27 18.019 -9.021 -21.642 1.00 33.15 H new ATOM 0 HB2 GLU A 27 19.400 -9.146 -23.708 1.00 61.13 H new ATOM 0 HB3 GLU A 27 18.543 -7.627 -23.550 1.00 61.13 H new ATOM 0 HG2 GLU A 27 20.561 -6.483 -22.831 1.00 42.33 H new ATOM 0 HG3 GLU A 27 21.444 -7.994 -22.739 1.00 42.33 H new ATOM 396 N ASP A 28 20.894 -9.098 -20.246 1.00 23.44 N ATOM 397 CA ASP A 28 21.913 -9.952 -19.646 1.00 30.34 C ATOM 398 C ASP A 28 21.526 -10.343 -18.223 1.00 14.43 C ATOM 399 O ASP A 28 21.962 -11.373 -17.712 1.00 23.25 O ATOM 400 CB ASP A 28 23.267 -9.242 -19.642 1.00 42.51 C ATOM 401 CG ASP A 28 24.422 -10.194 -19.882 1.00 32.43 C ATOM 402 OD1 ASP A 28 24.320 -11.030 -20.804 1.00 60.32 O ATOM 403 OD2 ASP A 28 25.428 -10.104 -19.147 1.00 55.33 O ATOM 0 H ASP A 28 20.917 -8.128 -19.930 1.00 23.44 H new ATOM 0 HA ASP A 28 21.989 -10.859 -20.245 1.00 30.34 H new ATOM 0 HB2 ASP A 28 23.271 -8.470 -20.411 1.00 42.51 H new ATOM 0 HB3 ASP A 28 23.407 -8.739 -18.685 1.00 42.51 H new ATOM 408 N GLU A 29 20.704 -9.511 -17.589 1.00 25.00 N ATOM 409 CA GLU A 29 20.261 -9.769 -16.224 1.00 74.22 C ATOM 410 C GLU A 29 18.992 -8.983 -15.907 1.00 32.12 C ATOM 411 O GLU A 29 18.621 -8.064 -16.636 1.00 10.32 O ATOM 412 CB GLU A 29 21.363 -9.404 -15.228 1.00 11.40 C ATOM 413 CG GLU A 29 21.597 -7.908 -15.101 1.00 50.42 C ATOM 414 CD GLU A 29 22.933 -7.578 -14.464 1.00 70.12 C ATOM 415 OE1 GLU A 29 23.421 -8.392 -13.652 1.00 53.15 O ATOM 416 OE2 GLU A 29 23.491 -6.506 -14.778 1.00 52.33 O ATOM 0 H GLU A 29 20.332 -8.654 -17.999 1.00 25.00 H new ATOM 0 HA GLU A 29 20.041 -10.833 -16.136 1.00 74.22 H new ATOM 0 HB2 GLU A 29 21.104 -9.807 -14.249 1.00 11.40 H new ATOM 0 HB3 GLU A 29 22.292 -9.884 -15.535 1.00 11.40 H new ATOM 0 HG2 GLU A 29 21.547 -7.451 -16.089 1.00 50.42 H new ATOM 0 HG3 GLU A 29 20.797 -7.468 -14.506 1.00 50.42 H new ATOM 423 N GLU A 30 18.331 -9.353 -14.814 1.00 42.01 N ATOM 424 CA GLU A 30 17.103 -8.683 -14.401 1.00 64.42 C ATOM 425 C GLU A 30 16.865 -8.858 -12.904 1.00 62.51 C ATOM 426 O GLU A 30 16.819 -9.980 -12.399 1.00 34.31 O ATOM 427 CB GLU A 30 15.909 -9.230 -15.186 1.00 62.31 C ATOM 428 CG GLU A 30 14.602 -8.519 -14.880 1.00 1.32 C ATOM 429 CD GLU A 30 13.441 -9.054 -15.696 1.00 5.40 C ATOM 430 OE1 GLU A 30 13.660 -9.982 -16.502 1.00 1.20 O ATOM 431 OE2 GLU A 30 12.314 -8.543 -15.528 1.00 71.30 O ATOM 0 H GLU A 30 18.625 -10.112 -14.199 1.00 42.01 H new ATOM 0 HA GLU A 30 17.211 -7.619 -14.612 1.00 64.42 H new ATOM 0 HB2 GLU A 30 16.117 -9.146 -16.253 1.00 62.31 H new ATOM 0 HB3 GLU A 30 15.796 -10.291 -14.966 1.00 62.31 H new ATOM 0 HG2 GLU A 30 14.375 -8.625 -13.819 1.00 1.32 H new ATOM 0 HG3 GLU A 30 14.718 -7.453 -15.076 1.00 1.32 H new ATOM 438 N TYR A 31 16.716 -7.742 -12.201 1.00 11.25 N ATOM 439 CA TYR A 31 16.486 -7.770 -10.761 1.00 73.40 C ATOM 440 C TYR A 31 15.792 -6.494 -10.295 1.00 22.03 C ATOM 441 O TYR A 31 15.779 -5.486 -11.001 1.00 44.05 O ATOM 442 CB TYR A 31 17.809 -7.947 -10.015 1.00 44.31 C ATOM 443 CG TYR A 31 18.781 -6.808 -10.229 1.00 62.30 C ATOM 444 CD1 TYR A 31 18.647 -5.614 -9.533 1.00 12.44 C ATOM 445 CD2 TYR A 31 19.835 -6.928 -11.127 1.00 53.01 C ATOM 446 CE1 TYR A 31 19.532 -4.571 -9.726 1.00 11.23 C ATOM 447 CE2 TYR A 31 20.726 -5.891 -11.325 1.00 54.15 C ATOM 448 CZ TYR A 31 20.570 -4.714 -10.623 1.00 33.31 C ATOM 449 OH TYR A 31 21.454 -3.678 -10.817 1.00 24.31 O ATOM 0 H TYR A 31 16.750 -6.806 -12.604 1.00 11.25 H new ATOM 0 HA TYR A 31 15.836 -8.617 -10.539 1.00 73.40 H new ATOM 0 HB2 TYR A 31 17.605 -8.044 -8.949 1.00 44.31 H new ATOM 0 HB3 TYR A 31 18.276 -8.878 -10.336 1.00 44.31 H new ATOM 0 HD1 TYR A 31 17.837 -5.499 -8.828 1.00 12.44 H new ATOM 0 HD2 TYR A 31 19.960 -7.848 -11.679 1.00 53.01 H new ATOM 0 HE1 TYR A 31 19.412 -3.648 -9.177 1.00 11.23 H new ATOM 0 HE2 TYR A 31 21.540 -6.001 -12.026 1.00 54.15 H new ATOM 0 HH TYR A 31 21.155 -3.130 -11.572 1.00 24.31 H new ATOM 459 N LYS A 32 15.216 -6.545 -9.098 1.00 43.24 N ATOM 460 CA LYS A 32 14.522 -5.394 -8.534 1.00 13.14 C ATOM 461 C LYS A 32 14.815 -5.259 -7.043 1.00 35.53 C ATOM 462 O LYS A 32 14.771 -6.241 -6.301 1.00 13.10 O ATOM 463 CB LYS A 32 13.013 -5.522 -8.758 1.00 43.24 C ATOM 464 CG LYS A 32 12.590 -5.281 -10.197 1.00 42.21 C ATOM 465 CD LYS A 32 12.298 -6.586 -10.918 1.00 53.24 C ATOM 466 CE LYS A 32 10.827 -6.962 -10.816 1.00 45.20 C ATOM 467 NZ LYS A 32 9.979 -6.133 -11.716 1.00 50.13 N ATOM 0 H LYS A 32 15.216 -7.372 -8.500 1.00 43.24 H new ATOM 0 HA LYS A 32 14.884 -4.499 -9.040 1.00 13.14 H new ATOM 0 HB2 LYS A 32 12.692 -6.519 -8.456 1.00 43.24 H new ATOM 0 HB3 LYS A 32 12.497 -4.812 -8.112 1.00 43.24 H new ATOM 0 HG2 LYS A 32 11.703 -4.648 -10.215 1.00 42.21 H new ATOM 0 HG3 LYS A 32 13.378 -4.742 -10.723 1.00 42.21 H new ATOM 0 HD2 LYS A 32 12.579 -6.494 -11.967 1.00 53.24 H new ATOM 0 HD3 LYS A 32 12.909 -7.382 -10.493 1.00 53.24 H new ATOM 0 HE2 LYS A 32 10.703 -8.015 -11.069 1.00 45.20 H new ATOM 0 HE3 LYS A 32 10.491 -6.839 -9.786 1.00 45.20 H new ATOM 0 HZ1 LYS A 32 9.080 -6.624 -11.895 1.00 50.13 H new ATOM 0 HZ2 LYS A 32 9.789 -5.215 -11.266 1.00 50.13 H new ATOM 0 HZ3 LYS A 32 10.475 -5.980 -12.617 1.00 50.13 H new ATOM 481 N SER A 33 15.112 -4.038 -6.610 1.00 73.23 N ATOM 482 CA SER A 33 15.414 -3.776 -5.208 1.00 31.30 C ATOM 483 C SER A 33 15.400 -2.278 -4.920 1.00 22.10 C ATOM 484 O SER A 33 15.723 -1.464 -5.786 1.00 73.42 O ATOM 485 CB SER A 33 16.777 -4.366 -4.839 1.00 53.43 C ATOM 486 OG SER A 33 16.648 -5.699 -4.377 1.00 15.24 O ATOM 0 H SER A 33 15.150 -3.214 -7.210 1.00 73.23 H new ATOM 0 HA SER A 33 14.644 -4.252 -4.601 1.00 31.30 H new ATOM 0 HB2 SER A 33 17.435 -4.341 -5.708 1.00 53.43 H new ATOM 0 HB3 SER A 33 17.245 -3.754 -4.068 1.00 53.43 H new ATOM 0 HG SER A 33 15.986 -6.172 -4.923 1.00 15.24 H new ATOM 492 N CYS A 34 15.024 -1.921 -3.697 1.00 4.44 N ATOM 493 CA CYS A 34 14.967 -0.521 -3.292 1.00 23.31 C ATOM 494 C CYS A 34 14.499 -0.392 -1.845 1.00 61.12 C ATOM 495 O CYS A 34 14.410 -1.382 -1.120 1.00 0.43 O ATOM 496 CB CYS A 34 14.030 0.260 -4.215 1.00 0.45 C ATOM 497 SG CYS A 34 14.675 1.886 -4.725 1.00 72.24 S ATOM 0 H CYS A 34 14.754 -2.582 -2.968 1.00 4.44 H new ATOM 0 HA CYS A 34 15.971 -0.105 -3.368 1.00 23.31 H new ATOM 0 HB2 CYS A 34 13.834 -0.337 -5.106 1.00 0.45 H new ATOM 0 HB3 CYS A 34 13.075 0.402 -3.710 1.00 0.45 H new ATOM 0 HG CYS A 34 14.846 2.634 -3.675 1.00 72.24 H new ATOM 502 N GLY A 35 14.201 0.836 -1.433 1.00 13.41 N ATOM 503 CA GLY A 35 13.745 1.073 -0.075 1.00 43.15 C ATOM 504 C GLY A 35 13.477 2.540 0.199 1.00 63.43 C ATOM 505 O GLY A 35 12.342 3.002 0.083 1.00 32.25 O ATOM 0 H GLY A 35 14.267 1.671 -2.015 1.00 13.41 H new ATOM 0 HA2 GLY A 35 12.835 0.501 0.104 1.00 43.15 H new ATOM 0 HA3 GLY A 35 14.495 0.707 0.626 1.00 43.15 H new ATOM 509 N ILE A 36 14.524 3.272 0.564 1.00 53.41 N ATOM 510 CA ILE A 36 14.395 4.695 0.856 1.00 62.41 C ATOM 511 C ILE A 36 15.106 5.538 -0.197 1.00 13.40 C ATOM 512 O ILE A 36 16.008 5.060 -0.884 1.00 10.04 O ATOM 513 CB ILE A 36 14.967 5.038 2.244 1.00 14.32 C ATOM 514 CG1 ILE A 36 16.222 4.209 2.522 1.00 1.25 C ATOM 515 CG2 ILE A 36 13.919 4.801 3.322 1.00 40.13 C ATOM 516 CD1 ILE A 36 16.881 4.535 3.845 1.00 54.13 C ATOM 0 H ILE A 36 15.470 2.904 0.665 1.00 53.41 H new ATOM 0 HA ILE A 36 13.330 4.925 0.844 1.00 62.41 H new ATOM 0 HB ILE A 36 15.241 6.093 2.257 1.00 14.32 H new ATOM 0 HG12 ILE A 36 15.960 3.151 2.507 1.00 1.25 H new ATOM 0 HG13 ILE A 36 16.940 4.371 1.718 1.00 1.25 H new ATOM 0 HG21 ILE A 36 14.338 5.048 4.297 1.00 40.13 H new ATOM 0 HG22 ILE A 36 13.051 5.431 3.130 1.00 40.13 H new ATOM 0 HG23 ILE A 36 13.617 3.754 3.311 1.00 40.13 H new ATOM 0 HD11 ILE A 36 17.764 3.910 3.976 1.00 54.13 H new ATOM 0 HD12 ILE A 36 17.175 5.585 3.856 1.00 54.13 H new ATOM 0 HD13 ILE A 36 16.179 4.346 4.657 1.00 54.13 H new ATOM 528 N GLN A 37 14.693 6.796 -0.317 1.00 2.25 N ATOM 529 CA GLN A 37 15.292 7.707 -1.285 1.00 55.12 C ATOM 530 C GLN A 37 16.806 7.765 -1.115 1.00 60.40 C ATOM 531 O GLN A 37 17.539 7.999 -2.075 1.00 51.12 O ATOM 532 CB GLN A 37 14.696 9.108 -1.135 1.00 70.01 C ATOM 533 CG GLN A 37 13.226 9.188 -1.514 1.00 41.14 C ATOM 534 CD GLN A 37 13.014 9.723 -2.917 1.00 15.02 C ATOM 535 OE1 GLN A 37 13.541 9.013 -3.908 1.00 14.01 O flip ATOM 536 NE2 GLN A 37 12.383 10.763 -3.108 1.00 14.34 N flip ATOM 0 H GLN A 37 13.947 7.207 0.244 1.00 2.25 H new ATOM 0 HA GLN A 37 15.072 7.331 -2.284 1.00 55.12 H new ATOM 0 HB2 GLN A 37 14.815 9.435 -0.102 1.00 70.01 H new ATOM 0 HB3 GLN A 37 15.261 9.803 -1.757 1.00 70.01 H new ATOM 0 HG2 GLN A 37 12.780 8.197 -1.436 1.00 41.14 H new ATOM 0 HG3 GLN A 37 12.705 9.829 -0.802 1.00 41.14 H new ATOM 0 HE21 GLN A 37 11.995 11.277 -2.317 1.00 14.34 H new ATOM 0 HE22 GLN A 37 12.248 11.111 -4.057 1.00 14.34 H new ATOM 545 N GLU A 38 17.267 7.549 0.113 1.00 3.31 N ATOM 546 CA GLU A 38 18.695 7.578 0.408 1.00 0.20 C ATOM 547 C GLU A 38 19.378 6.304 -0.082 1.00 13.31 C ATOM 548 O GLU A 38 20.558 6.316 -0.430 1.00 32.51 O ATOM 549 CB GLU A 38 18.924 7.747 1.911 1.00 5.04 C ATOM 550 CG GLU A 38 18.771 9.180 2.393 1.00 22.23 C ATOM 551 CD GLU A 38 19.698 9.509 3.548 1.00 53.34 C ATOM 552 OE1 GLU A 38 20.903 9.724 3.300 1.00 75.14 O ATOM 553 OE2 GLU A 38 19.217 9.553 4.700 1.00 60.24 O ATOM 0 H GLU A 38 16.673 7.352 0.919 1.00 3.31 H new ATOM 0 HA GLU A 38 19.131 8.428 -0.117 1.00 0.20 H new ATOM 0 HB2 GLU A 38 18.220 7.114 2.451 1.00 5.04 H new ATOM 0 HB3 GLU A 38 19.925 7.394 2.159 1.00 5.04 H new ATOM 0 HG2 GLU A 38 18.971 9.861 1.566 1.00 22.23 H new ATOM 0 HG3 GLU A 38 17.739 9.348 2.701 1.00 22.23 H new ATOM 560 N GLU A 39 18.626 5.208 -0.105 1.00 12.21 N ATOM 561 CA GLU A 39 19.159 3.926 -0.550 1.00 51.35 C ATOM 562 C GLU A 39 19.060 3.793 -2.067 1.00 54.44 C ATOM 563 O GLU A 39 19.934 3.212 -2.710 1.00 24.32 O ATOM 564 CB GLU A 39 18.409 2.775 0.123 1.00 3.04 C ATOM 565 CG GLU A 39 18.941 2.428 1.504 1.00 52.20 C ATOM 566 CD GLU A 39 20.106 1.459 1.454 1.00 73.30 C ATOM 567 OE1 GLU A 39 19.860 0.246 1.285 1.00 64.24 O ATOM 568 OE2 GLU A 39 21.262 1.912 1.584 1.00 13.13 O ATOM 0 H GLU A 39 17.647 5.182 0.179 1.00 12.21 H new ATOM 0 HA GLU A 39 20.210 3.881 -0.266 1.00 51.35 H new ATOM 0 HB2 GLU A 39 17.354 3.038 0.204 1.00 3.04 H new ATOM 0 HB3 GLU A 39 18.469 1.892 -0.513 1.00 3.04 H new ATOM 0 HG2 GLU A 39 19.255 3.342 2.008 1.00 52.20 H new ATOM 0 HG3 GLU A 39 18.138 1.994 2.100 1.00 52.20 H new ATOM 575 N CYS A 40 17.987 4.336 -2.634 1.00 2.40 N ATOM 576 CA CYS A 40 17.771 4.279 -4.075 1.00 30.24 C ATOM 577 C CYS A 40 18.663 5.283 -4.799 1.00 70.31 C ATOM 578 O CYS A 40 19.148 5.016 -5.898 1.00 41.31 O ATOM 579 CB CYS A 40 16.302 4.555 -4.402 1.00 43.34 C ATOM 580 SG CYS A 40 15.319 3.057 -4.732 1.00 44.44 S ATOM 0 H CYS A 40 17.253 4.821 -2.117 1.00 2.40 H new ATOM 0 HA CYS A 40 18.031 3.277 -4.417 1.00 30.24 H new ATOM 0 HB2 CYS A 40 15.851 5.096 -3.570 1.00 43.34 H new ATOM 0 HB3 CYS A 40 16.251 5.209 -5.273 1.00 43.34 H new ATOM 0 HG CYS A 40 15.828 2.052 -4.083 1.00 44.44 H new ATOM 585 N GLU A 41 18.874 6.437 -4.174 1.00 41.15 N ATOM 586 CA GLU A 41 19.707 7.481 -4.760 1.00 62.33 C ATOM 587 C GLU A 41 21.144 6.997 -4.932 1.00 42.14 C ATOM 588 O GLU A 41 21.888 7.512 -5.767 1.00 40.33 O ATOM 589 CB GLU A 41 19.681 8.736 -3.886 1.00 22.13 C ATOM 590 CG GLU A 41 20.635 9.823 -4.353 1.00 34.03 C ATOM 591 CD GLU A 41 20.252 11.196 -3.836 1.00 10.23 C ATOM 592 OE1 GLU A 41 20.297 11.401 -2.605 1.00 12.12 O ATOM 593 OE2 GLU A 41 19.908 12.066 -4.663 1.00 52.11 O ATOM 0 H GLU A 41 18.480 6.673 -3.263 1.00 41.15 H new ATOM 0 HA GLU A 41 19.303 7.724 -5.743 1.00 62.33 H new ATOM 0 HB2 GLU A 41 18.667 9.136 -3.870 1.00 22.13 H new ATOM 0 HB3 GLU A 41 19.931 8.460 -2.862 1.00 22.13 H new ATOM 0 HG2 GLU A 41 21.645 9.582 -4.021 1.00 34.03 H new ATOM 0 HG3 GLU A 41 20.654 9.841 -5.443 1.00 34.03 H new ATOM 600 N ASP A 42 21.528 6.005 -4.137 1.00 15.05 N ATOM 601 CA ASP A 42 22.875 5.451 -4.200 1.00 71.32 C ATOM 602 C ASP A 42 23.236 5.064 -5.631 1.00 22.42 C ATOM 603 O ASP A 42 24.403 5.109 -6.021 1.00 35.43 O ATOM 604 CB ASP A 42 22.992 4.232 -3.284 1.00 34.41 C ATOM 605 CG ASP A 42 24.422 3.958 -2.864 1.00 4.13 C ATOM 606 OD1 ASP A 42 25.279 4.843 -3.067 1.00 3.25 O ATOM 607 OD2 ASP A 42 24.685 2.858 -2.333 1.00 3.42 O ATOM 0 H ASP A 42 20.925 5.567 -3.441 1.00 15.05 H new ATOM 0 HA ASP A 42 23.573 6.217 -3.862 1.00 71.32 H new ATOM 0 HB2 ASP A 42 22.379 4.388 -2.396 1.00 34.41 H new ATOM 0 HB3 ASP A 42 22.593 3.357 -3.796 1.00 34.41 H new ATOM 612 N ALA A 43 22.228 4.682 -6.408 1.00 13.50 N ATOM 613 CA ALA A 43 22.439 4.288 -7.795 1.00 40.43 C ATOM 614 C ALA A 43 22.860 5.481 -8.647 1.00 1.32 C ATOM 615 O ALA A 43 22.023 6.146 -9.256 1.00 41.13 O ATOM 616 CB ALA A 43 21.178 3.653 -8.361 1.00 71.52 C ATOM 0 H ALA A 43 21.257 4.637 -6.100 1.00 13.50 H new ATOM 0 HA ALA A 43 23.245 3.555 -7.819 1.00 40.43 H new ATOM 0 HB1 ALA A 43 21.350 3.364 -9.398 1.00 71.52 H new ATOM 0 HB2 ALA A 43 20.921 2.770 -7.776 1.00 71.52 H new ATOM 0 HB3 ALA A 43 20.358 4.370 -8.316 1.00 71.52 H new ATOM 622 N GLU A 44 24.162 5.747 -8.683 1.00 23.51 N ATOM 623 CA GLU A 44 24.693 6.861 -9.459 1.00 51.11 C ATOM 624 C GLU A 44 24.551 6.599 -10.956 1.00 34.54 C ATOM 625 O GLU A 44 24.620 5.456 -11.406 1.00 32.33 O ATOM 626 CB GLU A 44 26.163 7.101 -9.110 1.00 22.42 C ATOM 627 CG GLU A 44 26.420 7.241 -7.619 1.00 35.34 C ATOM 628 CD GLU A 44 25.746 8.462 -7.023 1.00 63.12 C ATOM 629 OE1 GLU A 44 26.172 9.590 -7.347 1.00 3.51 O ATOM 630 OE2 GLU A 44 24.794 8.290 -6.234 1.00 22.41 O ATOM 0 H GLU A 44 24.868 5.206 -8.184 1.00 23.51 H new ATOM 0 HA GLU A 44 24.117 7.752 -9.207 1.00 51.11 H new ATOM 0 HB2 GLU A 44 26.759 6.274 -9.497 1.00 22.42 H new ATOM 0 HB3 GLU A 44 26.505 8.004 -9.615 1.00 22.42 H new ATOM 0 HG2 GLU A 44 26.063 6.347 -7.107 1.00 35.34 H new ATOM 0 HG3 GLU A 44 27.494 7.301 -7.443 1.00 35.34 H new ATOM 637 N GLY A 45 24.350 7.667 -11.722 1.00 25.23 N ATOM 638 CA GLY A 45 24.201 7.531 -13.159 1.00 13.52 C ATOM 639 C GLY A 45 22.769 7.733 -13.614 1.00 31.10 C ATOM 640 O GLY A 45 22.417 8.795 -14.127 1.00 63.54 O ATOM 0 H GLY A 45 24.288 8.623 -11.373 1.00 25.23 H new ATOM 0 HA2 GLY A 45 24.844 8.256 -13.658 1.00 13.52 H new ATOM 0 HA3 GLY A 45 24.540 6.541 -13.465 1.00 13.52 H new ATOM 644 N ALA A 46 21.941 6.710 -13.427 1.00 52.30 N ATOM 645 CA ALA A 46 20.539 6.780 -13.822 1.00 4.21 C ATOM 646 C ALA A 46 19.686 7.385 -12.712 1.00 71.51 C ATOM 647 O ALA A 46 20.033 7.303 -11.533 1.00 55.31 O ATOM 648 CB ALA A 46 20.026 5.397 -14.191 1.00 73.45 C ATOM 0 H ALA A 46 22.217 5.823 -13.005 1.00 52.30 H new ATOM 0 HA ALA A 46 20.464 7.428 -14.695 1.00 4.21 H new ATOM 0 HB1 ALA A 46 18.978 5.464 -14.484 1.00 73.45 H new ATOM 0 HB2 ALA A 46 20.611 5.002 -15.022 1.00 73.45 H new ATOM 0 HB3 ALA A 46 20.121 4.733 -13.332 1.00 73.45 H new ATOM 654 N THR A 47 18.567 7.992 -13.096 1.00 64.01 N ATOM 655 CA THR A 47 17.665 8.612 -12.134 1.00 22.20 C ATOM 656 C THR A 47 16.671 7.598 -11.580 1.00 24.44 C ATOM 657 O THR A 47 16.168 6.743 -12.310 1.00 3.35 O ATOM 658 CB THR A 47 16.888 9.782 -12.766 1.00 3.44 C ATOM 659 OG1 THR A 47 16.168 10.495 -11.754 1.00 31.12 O ATOM 660 CG2 THR A 47 15.920 9.280 -13.826 1.00 20.32 C ATOM 0 H THR A 47 18.264 8.067 -14.067 1.00 64.01 H new ATOM 0 HA THR A 47 18.283 8.993 -11.321 1.00 22.20 H new ATOM 0 HB THR A 47 17.606 10.451 -13.241 1.00 3.44 H new ATOM 0 HG1 THR A 47 15.678 11.238 -12.163 1.00 31.12 H new ATOM 0 HG21 THR A 47 15.383 10.125 -14.258 1.00 20.32 H new ATOM 0 HG22 THR A 47 16.474 8.764 -14.610 1.00 20.32 H new ATOM 0 HG23 THR A 47 15.208 8.591 -13.371 1.00 20.32 H new ATOM 668 N VAL A 48 16.391 7.697 -10.284 1.00 5.41 N ATOM 669 CA VAL A 48 15.456 6.789 -9.632 1.00 14.22 C ATOM 670 C VAL A 48 14.113 7.468 -9.384 1.00 3.20 C ATOM 671 O VAL A 48 14.033 8.466 -8.666 1.00 32.20 O ATOM 672 CB VAL A 48 16.014 6.275 -8.291 1.00 52.44 C ATOM 673 CG1 VAL A 48 15.004 5.369 -7.605 1.00 20.43 C ATOM 674 CG2 VAL A 48 17.334 5.550 -8.507 1.00 54.42 C ATOM 0 H VAL A 48 16.799 8.398 -9.665 1.00 5.41 H new ATOM 0 HA VAL A 48 15.314 5.944 -10.306 1.00 14.22 H new ATOM 0 HB VAL A 48 16.198 7.131 -7.641 1.00 52.44 H new ATOM 0 HG11 VAL A 48 15.415 5.016 -6.660 1.00 20.43 H new ATOM 0 HG12 VAL A 48 14.086 5.925 -7.416 1.00 20.43 H new ATOM 0 HG13 VAL A 48 14.786 4.516 -8.247 1.00 20.43 H new ATOM 0 HG21 VAL A 48 17.714 5.193 -7.550 1.00 54.42 H new ATOM 0 HG22 VAL A 48 17.179 4.702 -9.174 1.00 54.42 H new ATOM 0 HG23 VAL A 48 18.056 6.234 -8.952 1.00 54.42 H new ATOM 684 N LEU A 49 13.061 6.921 -9.982 1.00 52.41 N ATOM 685 CA LEU A 49 11.720 7.474 -9.826 1.00 74.32 C ATOM 686 C LEU A 49 10.732 6.393 -9.398 1.00 1.14 C ATOM 687 O LEU A 49 10.706 5.301 -9.965 1.00 73.31 O ATOM 688 CB LEU A 49 11.255 8.115 -11.135 1.00 63.32 C ATOM 689 CG LEU A 49 9.757 8.400 -11.248 1.00 44.45 C ATOM 690 CD1 LEU A 49 9.518 9.717 -11.972 1.00 22.42 C ATOM 691 CD2 LEU A 49 9.050 7.260 -11.965 1.00 34.40 C ATOM 0 H LEU A 49 13.110 6.096 -10.579 1.00 52.41 H new ATOM 0 HA LEU A 49 11.757 8.237 -9.048 1.00 74.32 H new ATOM 0 HB2 LEU A 49 11.794 9.053 -11.268 1.00 63.32 H new ATOM 0 HB3 LEU A 49 11.543 7.462 -11.959 1.00 63.32 H new ATOM 0 HG LEU A 49 9.345 8.481 -10.242 1.00 44.45 H new ATOM 0 HD11 LEU A 49 8.446 9.904 -12.043 1.00 22.42 H new ATOM 0 HD12 LEU A 49 9.992 10.528 -11.418 1.00 22.42 H new ATOM 0 HD13 LEU A 49 9.945 9.664 -12.974 1.00 22.42 H new ATOM 0 HD21 LEU A 49 7.985 7.480 -12.036 1.00 34.40 H new ATOM 0 HD22 LEU A 49 9.465 7.147 -12.967 1.00 34.40 H new ATOM 0 HD23 LEU A 49 9.193 6.335 -11.407 1.00 34.40 H new ATOM 703 N CYS A 50 9.920 6.706 -8.394 1.00 35.02 N ATOM 704 CA CYS A 50 8.928 5.763 -7.889 1.00 44.44 C ATOM 705 C CYS A 50 7.526 6.361 -7.958 1.00 33.54 C ATOM 706 O CYS A 50 7.348 7.573 -7.832 1.00 60.40 O ATOM 707 CB CYS A 50 9.257 5.368 -6.448 1.00 53.23 C ATOM 708 SG CYS A 50 8.307 3.940 -5.834 1.00 14.51 S ATOM 0 H CYS A 50 9.929 7.606 -7.914 1.00 35.02 H new ATOM 0 HA CYS A 50 8.955 4.873 -8.517 1.00 44.44 H new ATOM 0 HB2 CYS A 50 10.321 5.140 -6.379 1.00 53.23 H new ATOM 0 HB3 CYS A 50 9.071 6.222 -5.797 1.00 53.23 H new ATOM 713 N CYS A 51 6.532 5.501 -8.157 1.00 40.23 N ATOM 714 CA CYS A 51 5.145 5.942 -8.243 1.00 31.24 C ATOM 715 C CYS A 51 4.419 5.714 -6.920 1.00 25.05 C ATOM 716 O CYS A 51 4.732 4.795 -6.162 1.00 11.33 O ATOM 717 CB CYS A 51 4.421 5.200 -9.368 1.00 52.51 C ATOM 718 SG CYS A 51 5.494 4.741 -10.767 1.00 11.42 S ATOM 0 H CYS A 51 6.662 4.495 -8.262 1.00 40.23 H new ATOM 0 HA CYS A 51 5.142 7.010 -8.460 1.00 31.24 H new ATOM 0 HB2 CYS A 51 3.968 4.297 -8.960 1.00 52.51 H new ATOM 0 HB3 CYS A 51 3.608 5.826 -9.737 1.00 52.51 H new ATOM 723 N PRO A 52 3.427 6.570 -6.634 1.00 72.32 N ATOM 724 CA PRO A 52 2.636 6.482 -5.403 1.00 54.23 C ATOM 725 C PRO A 52 1.720 5.263 -5.388 1.00 25.41 C ATOM 726 O PRO A 52 1.139 4.925 -4.357 1.00 64.11 O ATOM 727 CB PRO A 52 1.809 7.771 -5.420 1.00 62.44 C ATOM 728 CG PRO A 52 1.712 8.139 -6.861 1.00 34.24 C ATOM 729 CD PRO A 52 3.000 7.688 -7.492 1.00 1.35 C ATOM 0 HA PRO A 52 3.267 6.375 -4.520 1.00 54.23 H new ATOM 0 HB2 PRO A 52 0.822 7.614 -4.984 1.00 62.44 H new ATOM 0 HB3 PRO A 52 2.292 8.559 -4.842 1.00 62.44 H new ATOM 0 HG2 PRO A 52 0.857 7.654 -7.331 1.00 34.24 H new ATOM 0 HG3 PRO A 52 1.574 9.214 -6.981 1.00 34.24 H new ATOM 0 HD2 PRO A 52 2.852 7.369 -8.524 1.00 1.35 H new ATOM 0 HD3 PRO A 52 3.741 8.487 -7.509 1.00 1.35 H new ATOM 737 N GLU A 53 1.598 4.606 -6.537 1.00 72.22 N ATOM 738 CA GLU A 53 0.752 3.423 -6.654 1.00 44.51 C ATOM 739 C GLU A 53 1.516 2.166 -6.249 1.00 44.11 C ATOM 740 O GLU A 53 2.680 2.235 -5.852 1.00 71.45 O ATOM 741 CB GLU A 53 0.234 3.279 -8.087 1.00 2.44 C ATOM 742 CG GLU A 53 -0.907 4.226 -8.419 1.00 43.12 C ATOM 743 CD GLU A 53 -0.431 5.641 -8.688 1.00 35.14 C ATOM 744 OE1 GLU A 53 0.568 5.803 -9.418 1.00 50.13 O ATOM 745 OE2 GLU A 53 -1.060 6.586 -8.167 1.00 0.05 O ATOM 0 H GLU A 53 2.073 4.872 -7.399 1.00 72.22 H new ATOM 0 HA GLU A 53 -0.095 3.545 -5.980 1.00 44.51 H new ATOM 0 HB2 GLU A 53 1.056 3.456 -8.781 1.00 2.44 H new ATOM 0 HB3 GLU A 53 -0.099 2.253 -8.243 1.00 2.44 H new ATOM 0 HG2 GLU A 53 -1.441 3.854 -9.294 1.00 43.12 H new ATOM 0 HG3 GLU A 53 -1.618 4.237 -7.593 1.00 43.12 H new ATOM 752 N ASP A 54 0.853 1.020 -6.351 1.00 63.44 N ATOM 753 CA ASP A 54 1.469 -0.254 -5.997 1.00 12.04 C ATOM 754 C ASP A 54 2.021 -0.954 -7.234 1.00 71.24 C ATOM 755 O ASP A 54 1.446 -0.864 -8.320 1.00 32.50 O ATOM 756 CB ASP A 54 0.454 -1.157 -5.295 1.00 33.35 C ATOM 757 CG ASP A 54 -0.898 -1.152 -5.981 1.00 30.11 C ATOM 758 OD1 ASP A 54 -0.948 -1.444 -7.194 1.00 31.01 O ATOM 759 OD2 ASP A 54 -1.906 -0.855 -5.305 1.00 62.34 O ATOM 0 H ASP A 54 -0.111 0.946 -6.676 1.00 63.44 H new ATOM 0 HA ASP A 54 2.297 -0.053 -5.317 1.00 12.04 H new ATOM 0 HB2 ASP A 54 0.839 -2.176 -5.265 1.00 33.35 H new ATOM 0 HB3 ASP A 54 0.335 -0.830 -4.262 1.00 33.35 H new ATOM 764 N LEU A 55 3.139 -1.650 -7.064 1.00 64.43 N ATOM 765 CA LEU A 55 3.771 -2.366 -8.168 1.00 14.30 C ATOM 766 C LEU A 55 4.129 -1.410 -9.302 1.00 23.52 C ATOM 767 O LEU A 55 3.621 -1.535 -10.417 1.00 4.43 O ATOM 768 CB LEU A 55 2.842 -3.465 -8.687 1.00 20.14 C ATOM 769 CG LEU A 55 2.473 -4.560 -7.685 1.00 13.43 C ATOM 770 CD1 LEU A 55 1.586 -5.606 -8.341 1.00 32.44 C ATOM 771 CD2 LEU A 55 3.727 -5.204 -7.112 1.00 12.52 C ATOM 0 H LEU A 55 3.627 -1.734 -6.172 1.00 64.43 H new ATOM 0 HA LEU A 55 4.689 -2.820 -7.796 1.00 14.30 H new ATOM 0 HB2 LEU A 55 1.922 -2.999 -9.040 1.00 20.14 H new ATOM 0 HB3 LEU A 55 3.314 -3.934 -9.550 1.00 20.14 H new ATOM 0 HG LEU A 55 1.917 -4.104 -6.866 1.00 13.43 H new ATOM 0 HD11 LEU A 55 1.334 -6.377 -7.613 1.00 32.44 H new ATOM 0 HD12 LEU A 55 0.672 -5.134 -8.701 1.00 32.44 H new ATOM 0 HD13 LEU A 55 2.116 -6.058 -9.180 1.00 32.44 H new ATOM 0 HD21 LEU A 55 3.445 -5.981 -6.401 1.00 12.52 H new ATOM 0 HD22 LEU A 55 4.311 -5.646 -7.920 1.00 12.52 H new ATOM 0 HD23 LEU A 55 4.325 -4.447 -6.604 1.00 12.52 H new ATOM 783 N CYS A 56 5.009 -0.458 -9.010 1.00 61.33 N ATOM 784 CA CYS A 56 5.438 0.518 -10.005 1.00 21.42 C ATOM 785 C CYS A 56 6.797 0.139 -10.587 1.00 51.23 C ATOM 786 O CYS A 56 7.172 0.600 -11.664 1.00 51.43 O ATOM 787 CB CYS A 56 5.509 1.914 -9.383 1.00 35.43 C ATOM 788 SG CYS A 56 6.021 3.220 -10.544 1.00 3.10 S ATOM 0 H CYS A 56 5.439 -0.342 -8.092 1.00 61.33 H new ATOM 0 HA CYS A 56 4.705 0.524 -10.812 1.00 21.42 H new ATOM 0 HB2 CYS A 56 4.531 2.168 -8.975 1.00 35.43 H new ATOM 0 HB3 CYS A 56 6.207 1.892 -8.546 1.00 35.43 H new ATOM 793 N ASN A 57 7.529 -0.704 -9.867 1.00 4.23 N ATOM 794 CA ASN A 57 8.847 -1.144 -10.312 1.00 34.35 C ATOM 795 C ASN A 57 8.822 -2.616 -10.711 1.00 75.54 C ATOM 796 O ASN A 57 7.840 -3.100 -11.276 1.00 3.52 O ATOM 797 CB ASN A 57 9.882 -0.922 -9.207 1.00 14.11 C ATOM 798 CG ASN A 57 9.754 -1.932 -8.083 1.00 13.12 C ATOM 799 OD1 ASN A 57 8.654 -2.205 -7.601 1.00 2.33 O ATOM 800 ND2 ASN A 57 10.881 -2.492 -7.660 1.00 11.03 N ATOM 0 H ASN A 57 7.233 -1.096 -8.973 1.00 4.23 H new ATOM 0 HA ASN A 57 9.124 -0.553 -11.185 1.00 34.35 H new ATOM 0 HB2 ASN A 57 10.883 -0.982 -9.634 1.00 14.11 H new ATOM 0 HB3 ASN A 57 9.768 0.084 -8.803 1.00 14.11 H new ATOM 0 HD21 ASN A 57 10.858 -3.179 -6.906 1.00 11.03 H new ATOM 0 HD22 ASN A 57 11.770 -2.235 -8.089 1.00 11.03 H new