USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 407 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 18 ASN : amide:sc= -8.15! C(o=-10!,f=-16!) USER MOD Set 1.2: A 21 THR OG1 : rot 180:sc= -2.05! USER MOD Single : A 1 ARG N :NH3+ 152:sc= -0.0275 (180deg=-0.0453) USER MOD Single : A 4 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.012) USER MOD Single : A 6 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.6) USER MOD Single : A 8 ASN : amide:sc= -9.77! C(o=-9.8!,f=-12!) USER MOD Single : A 12 ASN : amide:sc=-0.00754 X(o=-0.0075,f=0) USER MOD Single : A 16 ASN : amide:sc= -8.19! C(o=-8.2!,f=-7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.741 K(o=-0.74,f=-1.7) USER MOD Single : A 31 THR OG1 : rot -85:sc= -4.57! USER MOD Single : A 35 TYR OH : rot 165:sc= -0.282 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.5!) USER MOD Single : A 51 ASN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0.413 (180deg=0.399) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.957) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 20.260 65.840 84.069 1.00 0.00 N ATOM 2 CA ARG A 1 19.089 64.998 83.693 1.00 0.00 C ATOM 3 C ARG A 1 18.085 64.976 84.849 1.00 0.00 C ATOM 4 O ARG A 1 18.153 64.121 85.709 1.00 0.00 O ATOM 5 CB ARG A 1 19.559 63.572 83.397 1.00 0.00 C ATOM 6 CG ARG A 1 19.156 63.185 81.972 1.00 0.00 C ATOM 7 CD ARG A 1 19.522 61.722 81.714 1.00 0.00 C ATOM 8 NE ARG A 1 20.133 61.591 80.361 1.00 0.00 N ATOM 9 CZ ARG A 1 21.370 61.956 80.166 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.991 62.669 81.066 1.00 0.00 N ATOM 11 NH2 ARG A 1 21.989 61.604 79.071 1.00 0.00 N ATOM 0 H1 ARG A 1 21.104 65.507 83.562 1.00 0.00 H new ATOM 0 H2 ARG A 1 20.072 66.830 83.814 1.00 0.00 H new ATOM 0 H3 ARG A 1 20.422 65.771 85.094 1.00 0.00 H new ATOM 0 HA ARG A 1 18.612 65.414 82.805 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.641 63.504 83.511 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.118 62.877 84.112 1.00 0.00 H new ATOM 0 HG2 ARG A 1 18.085 63.332 81.834 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.662 63.829 81.253 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.220 61.371 82.475 1.00 0.00 H new ATOM 0 HD3 ARG A 1 18.632 61.096 81.785 1.00 0.00 H new ATOM 0 HE ARG A 1 19.584 61.216 79.588 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.509 62.941 81.923 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.958 62.954 80.913 1.00 0.00 H new ATOM 0 HH21 ARG A 1 21.505 61.044 78.369 1.00 0.00 H new ATOM 0 HH22 ARG A 1 22.956 61.889 78.918 1.00 0.00 H new ATOM 27 N PRO A 2 17.179 65.921 84.833 1.00 0.00 N ATOM 28 CA PRO A 2 16.141 66.040 85.869 1.00 0.00 C ATOM 29 C PRO A 2 15.021 65.028 85.617 1.00 0.00 C ATOM 30 O PRO A 2 14.204 65.200 84.734 1.00 0.00 O ATOM 31 CB PRO A 2 15.630 67.474 85.700 1.00 0.00 C ATOM 32 CG PRO A 2 15.982 67.895 84.253 1.00 0.00 C ATOM 33 CD PRO A 2 17.106 66.955 83.779 1.00 0.00 C ATOM 0 HA PRO A 2 16.511 65.841 86.875 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.554 67.526 85.869 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.098 68.141 86.424 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.110 67.814 83.604 1.00 0.00 H new ATOM 0 HG3 PRO A 2 16.308 68.935 84.221 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.877 66.518 82.807 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.052 67.486 83.675 1.00 0.00 H new ATOM 41 N CYS A 3 14.978 63.973 86.383 1.00 0.00 N ATOM 42 CA CYS A 3 13.911 62.954 86.180 1.00 0.00 C ATOM 43 C CYS A 3 12.613 63.432 86.834 1.00 0.00 C ATOM 44 O CYS A 3 12.434 63.326 88.031 1.00 0.00 O ATOM 45 CB CYS A 3 14.343 61.629 86.811 1.00 0.00 C ATOM 46 SG CYS A 3 13.294 60.296 86.186 1.00 0.00 S ATOM 0 H CYS A 3 15.634 63.773 87.138 1.00 0.00 H new ATOM 0 HA CYS A 3 13.746 62.811 85.112 1.00 0.00 H new ATOM 0 HB2 CYS A 3 15.388 61.425 86.576 1.00 0.00 H new ATOM 0 HB3 CYS A 3 14.266 61.688 87.897 1.00 0.00 H new ATOM 51 N GLN A 4 11.706 63.954 86.057 1.00 0.00 N ATOM 52 CA GLN A 4 10.419 64.437 86.630 1.00 0.00 C ATOM 53 C GLN A 4 9.753 63.305 87.414 1.00 0.00 C ATOM 54 O GLN A 4 9.351 62.303 86.855 1.00 0.00 O ATOM 55 CB GLN A 4 9.494 64.883 85.497 1.00 0.00 C ATOM 56 CG GLN A 4 8.487 65.905 86.029 1.00 0.00 C ATOM 57 CD GLN A 4 8.259 66.987 84.974 1.00 0.00 C ATOM 58 OE1 GLN A 4 8.131 68.152 85.298 1.00 0.00 O ATOM 59 NE2 GLN A 4 8.202 66.649 83.715 1.00 0.00 N ATOM 0 H GLN A 4 11.801 64.067 85.048 1.00 0.00 H new ATOM 0 HA GLN A 4 10.611 65.278 87.297 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.078 65.321 84.688 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.969 64.022 85.082 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.545 65.413 86.271 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.858 66.353 86.951 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.309 65.672 83.444 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.050 67.362 83.002 1.00 0.00 H new ATOM 68 N CYS A 5 9.631 63.455 88.704 1.00 0.00 N ATOM 69 CA CYS A 5 8.989 62.388 89.521 1.00 0.00 C ATOM 70 C CYS A 5 8.930 62.833 90.983 1.00 0.00 C ATOM 71 O CYS A 5 9.724 63.636 91.431 1.00 0.00 O ATOM 72 CB CYS A 5 9.806 61.099 89.411 1.00 0.00 C ATOM 73 SG CYS A 5 8.927 59.757 90.247 1.00 0.00 S ATOM 0 H CYS A 5 9.948 64.271 89.228 1.00 0.00 H new ATOM 0 HA CYS A 5 7.978 62.208 89.155 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.967 60.846 88.363 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.789 61.239 89.860 1.00 0.00 H new ATOM 78 N ASN A 6 7.997 62.315 91.733 1.00 0.00 N ATOM 79 CA ASN A 6 7.888 62.707 93.167 1.00 0.00 C ATOM 80 C ASN A 6 7.443 61.493 93.990 1.00 0.00 C ATOM 81 O ASN A 6 7.670 60.364 93.604 1.00 0.00 O ATOM 82 CB ASN A 6 6.870 63.844 93.305 1.00 0.00 C ATOM 83 CG ASN A 6 7.360 65.063 92.519 1.00 0.00 C ATOM 84 OD1 ASN A 6 8.278 65.739 92.938 1.00 0.00 O ATOM 85 ND2 ASN A 6 6.784 65.377 91.390 1.00 0.00 N ATOM 0 H ASN A 6 7.305 61.637 91.415 1.00 0.00 H new ATOM 0 HA ASN A 6 8.855 63.050 93.534 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.897 63.524 92.931 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.738 64.104 94.355 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.105 66.188 90.862 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.013 64.811 91.036 1.00 0.00 H new ATOM 92 N ASP A 7 6.818 61.717 95.120 1.00 0.00 N ATOM 93 CA ASP A 7 6.360 60.578 95.972 1.00 0.00 C ATOM 94 C ASP A 7 7.530 60.076 96.833 1.00 0.00 C ATOM 95 O ASP A 7 8.247 60.858 97.426 1.00 0.00 O ATOM 96 CB ASP A 7 5.831 59.447 95.083 1.00 0.00 C ATOM 97 CG ASP A 7 5.032 60.042 93.922 1.00 0.00 C ATOM 98 OD1 ASP A 7 4.150 60.843 94.185 1.00 0.00 O ATOM 99 OD2 ASP A 7 5.317 59.687 92.789 1.00 0.00 O ATOM 0 H ASP A 7 6.605 62.644 95.489 1.00 0.00 H new ATOM 0 HA ASP A 7 5.557 60.914 96.628 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.661 58.852 94.701 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.200 58.776 95.666 1.00 0.00 H new ATOM 104 N ASN A 8 7.725 58.784 96.922 1.00 0.00 N ATOM 105 CA ASN A 8 8.842 58.256 97.759 1.00 0.00 C ATOM 106 C ASN A 8 10.117 58.138 96.926 1.00 0.00 C ATOM 107 O ASN A 8 10.567 57.054 96.606 1.00 0.00 O ATOM 108 CB ASN A 8 8.463 56.881 98.302 1.00 0.00 C ATOM 109 CG ASN A 8 7.188 56.998 99.140 1.00 0.00 C ATOM 110 OD1 ASN A 8 7.247 57.022 100.353 1.00 0.00 O ATOM 111 ND2 ASN A 8 6.033 57.077 98.540 1.00 0.00 N ATOM 0 H ASN A 8 7.161 58.076 96.453 1.00 0.00 H new ATOM 0 HA ASN A 8 9.021 58.944 98.586 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.307 56.183 97.479 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.275 56.481 98.910 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.177 57.159 99.089 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.985 57.057 97.521 1.00 0.00 H new ATOM 118 N ILE A 9 10.716 59.248 96.602 1.00 0.00 N ATOM 119 CA ILE A 9 11.979 59.227 95.815 1.00 0.00 C ATOM 120 C ILE A 9 12.887 60.345 96.332 1.00 0.00 C ATOM 121 O ILE A 9 12.417 61.362 96.802 1.00 0.00 O ATOM 122 CB ILE A 9 11.657 59.451 94.339 1.00 0.00 C ATOM 123 CG1 ILE A 9 10.639 60.585 94.212 1.00 0.00 C ATOM 124 CG2 ILE A 9 11.056 58.170 93.754 1.00 0.00 C ATOM 125 CD1 ILE A 9 11.274 61.765 93.476 1.00 0.00 C ATOM 0 H ILE A 9 10.381 60.179 96.851 1.00 0.00 H new ATOM 0 HA ILE A 9 12.482 58.266 95.923 1.00 0.00 H new ATOM 0 HB ILE A 9 12.568 59.711 93.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.758 60.238 93.672 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.303 60.898 95.201 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.824 58.325 92.700 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.772 57.354 93.852 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.143 57.917 94.293 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.547 62.572 93.387 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.141 62.118 94.034 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.588 61.447 92.482 1.00 0.00 H new ATOM 137 N ASP A 10 14.177 60.165 96.277 1.00 0.00 N ATOM 138 CA ASP A 10 15.090 61.226 96.799 1.00 0.00 C ATOM 139 C ASP A 10 15.924 61.826 95.662 1.00 0.00 C ATOM 140 O ASP A 10 16.164 61.178 94.666 1.00 0.00 O ATOM 141 CB ASP A 10 16.032 60.618 97.838 1.00 0.00 C ATOM 142 CG ASP A 10 15.389 60.702 99.222 1.00 0.00 C ATOM 143 OD1 ASP A 10 14.519 61.537 99.400 1.00 0.00 O ATOM 144 OD2 ASP A 10 15.779 59.929 100.082 1.00 0.00 O ATOM 0 H ASP A 10 14.638 59.338 95.897 1.00 0.00 H new ATOM 0 HA ASP A 10 14.487 62.013 97.251 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.245 59.579 97.587 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.984 61.148 97.835 1.00 0.00 H new ATOM 149 N PRO A 11 16.358 63.048 95.859 1.00 0.00 N ATOM 150 CA PRO A 11 17.191 63.761 94.874 1.00 0.00 C ATOM 151 C PRO A 11 18.639 63.262 94.949 1.00 0.00 C ATOM 152 O PRO A 11 19.422 63.455 94.041 1.00 0.00 O ATOM 153 CB PRO A 11 17.104 65.223 95.320 1.00 0.00 C ATOM 154 CG PRO A 11 16.721 65.197 96.818 1.00 0.00 C ATOM 155 CD PRO A 11 16.056 63.833 97.075 1.00 0.00 C ATOM 0 HA PRO A 11 16.862 63.612 93.845 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.056 65.732 95.171 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.358 65.764 94.737 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.603 65.323 97.446 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.039 66.013 97.058 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.459 63.355 97.968 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.981 63.936 97.226 1.00 0.00 H new ATOM 163 N ASN A 12 19.004 62.648 96.043 1.00 0.00 N ATOM 164 CA ASN A 12 20.411 62.166 96.200 1.00 0.00 C ATOM 165 C ASN A 12 20.667 60.864 95.415 1.00 0.00 C ATOM 166 O ASN A 12 21.762 60.646 94.935 1.00 0.00 O ATOM 167 CB ASN A 12 20.696 61.923 97.682 1.00 0.00 C ATOM 168 CG ASN A 12 20.745 63.264 98.416 1.00 0.00 C ATOM 169 OD1 ASN A 12 19.911 63.541 99.254 1.00 0.00 O ATOM 170 ND2 ASN A 12 21.693 64.115 98.132 1.00 0.00 N ATOM 0 H ASN A 12 18.390 62.459 96.835 1.00 0.00 H new ATOM 0 HA ASN A 12 21.074 62.933 95.800 1.00 0.00 H new ATOM 0 HB2 ASN A 12 19.922 61.288 98.113 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.643 61.396 97.800 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.733 65.013 98.614 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.393 63.882 97.428 1.00 0.00 H new ATOM 177 N ALA A 13 19.699 59.988 95.275 1.00 0.00 N ATOM 178 CA ALA A 13 19.957 58.729 94.518 1.00 0.00 C ATOM 179 C ALA A 13 20.499 59.074 93.128 1.00 0.00 C ATOM 180 O ALA A 13 20.845 60.206 92.852 1.00 0.00 O ATOM 181 CB ALA A 13 18.656 57.934 94.386 1.00 0.00 C ATOM 0 H ALA A 13 18.755 60.091 95.648 1.00 0.00 H new ATOM 0 HA ALA A 13 20.691 58.126 95.052 1.00 0.00 H new ATOM 0 HB1 ALA A 13 18.846 57.014 93.833 1.00 0.00 H new ATOM 0 HB2 ALA A 13 18.277 57.689 95.378 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.917 58.532 93.853 1.00 0.00 H new ATOM 187 N VAL A 14 20.587 58.111 92.250 1.00 0.00 N ATOM 188 CA VAL A 14 21.125 58.404 90.889 1.00 0.00 C ATOM 189 C VAL A 14 19.982 58.470 89.873 1.00 0.00 C ATOM 190 O VAL A 14 19.738 57.534 89.137 1.00 0.00 O ATOM 191 CB VAL A 14 22.100 57.297 90.486 1.00 0.00 C ATOM 192 CG1 VAL A 14 22.609 57.552 89.067 1.00 0.00 C ATOM 193 CG2 VAL A 14 23.285 57.287 91.456 1.00 0.00 C ATOM 0 H VAL A 14 20.312 57.142 92.413 1.00 0.00 H new ATOM 0 HA VAL A 14 21.639 59.365 90.906 1.00 0.00 H new ATOM 0 HB VAL A 14 21.589 56.335 90.520 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.304 56.762 88.782 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.767 57.562 88.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 23.120 58.514 89.031 1.00 0.00 H new ATOM 0 HG21 VAL A 14 23.982 56.499 91.171 1.00 0.00 H new ATOM 0 HG22 VAL A 14 23.793 58.251 91.420 1.00 0.00 H new ATOM 0 HG23 VAL A 14 22.925 57.104 92.468 1.00 0.00 H new ATOM 203 N GLY A 15 19.278 59.572 89.823 1.00 0.00 N ATOM 204 CA GLY A 15 18.153 59.699 88.852 1.00 0.00 C ATOM 205 C GLY A 15 16.869 59.161 89.487 1.00 0.00 C ATOM 206 O GLY A 15 15.785 59.636 89.218 1.00 0.00 O ATOM 0 H GLY A 15 19.435 60.389 90.413 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.021 60.743 88.567 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.380 59.146 87.941 1.00 0.00 H new ATOM 210 N ASN A 16 16.987 58.171 90.333 1.00 0.00 N ATOM 211 CA ASN A 16 15.780 57.593 90.995 1.00 0.00 C ATOM 212 C ASN A 16 14.848 56.938 89.962 1.00 0.00 C ATOM 213 O ASN A 16 13.791 56.437 90.305 1.00 0.00 O ATOM 214 CB ASN A 16 15.020 58.701 91.726 1.00 0.00 C ATOM 215 CG ASN A 16 15.910 59.302 92.813 1.00 0.00 C ATOM 216 OD1 ASN A 16 15.739 59.015 93.985 1.00 0.00 O ATOM 217 ND2 ASN A 16 16.857 60.135 92.471 1.00 0.00 N ATOM 0 H ASN A 16 17.872 57.736 90.595 1.00 0.00 H new ATOM 0 HA ASN A 16 16.107 56.831 91.703 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.718 59.475 91.020 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.109 58.300 92.169 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.456 60.547 93.186 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.997 60.373 91.489 1.00 0.00 H new ATOM 224 N CYS A 17 15.212 56.927 88.706 1.00 0.00 N ATOM 225 CA CYS A 17 14.321 56.300 87.693 1.00 0.00 C ATOM 226 C CYS A 17 15.082 55.212 86.934 1.00 0.00 C ATOM 227 O CYS A 17 16.251 54.975 87.169 1.00 0.00 O ATOM 228 CB CYS A 17 13.841 57.366 86.707 1.00 0.00 C ATOM 229 SG CYS A 17 13.403 58.871 87.614 1.00 0.00 S ATOM 0 H CYS A 17 16.080 57.322 88.343 1.00 0.00 H new ATOM 0 HA CYS A 17 13.464 55.854 88.197 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.623 57.582 85.979 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.979 57.000 86.150 1.00 0.00 H new ATOM 234 N ASN A 18 14.430 54.557 86.012 1.00 0.00 N ATOM 235 CA ASN A 18 15.128 53.495 85.226 1.00 0.00 C ATOM 236 C ASN A 18 15.702 54.138 83.953 1.00 0.00 C ATOM 237 O ASN A 18 15.019 54.862 83.259 1.00 0.00 O ATOM 238 CB ASN A 18 14.164 52.353 84.826 1.00 0.00 C ATOM 239 CG ASN A 18 12.904 52.309 85.705 1.00 0.00 C ATOM 240 OD1 ASN A 18 12.199 53.286 85.839 1.00 0.00 O ATOM 241 ND2 ASN A 18 12.570 51.186 86.285 1.00 0.00 N ATOM 0 H ASN A 18 13.451 54.708 85.769 1.00 0.00 H new ATOM 0 HA ASN A 18 15.917 53.065 85.843 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.871 52.478 83.784 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.687 51.399 84.898 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.720 51.135 86.847 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.159 50.361 86.176 1.00 0.00 H new ATOM 248 N ARG A 19 16.950 53.903 83.645 1.00 0.00 N ATOM 249 CA ARG A 19 17.542 54.525 82.424 1.00 0.00 C ATOM 250 C ARG A 19 16.923 53.916 81.159 1.00 0.00 C ATOM 251 O ARG A 19 16.919 54.527 80.109 1.00 0.00 O ATOM 252 CB ARG A 19 19.053 54.279 82.408 1.00 0.00 C ATOM 253 CG ARG A 19 19.783 55.583 82.075 1.00 0.00 C ATOM 254 CD ARG A 19 21.042 55.692 82.937 1.00 0.00 C ATOM 255 NE ARG A 19 22.054 56.533 82.238 1.00 0.00 N ATOM 256 CZ ARG A 19 23.182 56.818 82.828 1.00 0.00 C ATOM 257 NH1 ARG A 19 23.187 57.154 84.090 1.00 0.00 N ATOM 258 NH2 ARG A 19 24.303 56.764 82.162 1.00 0.00 N ATOM 0 H ARG A 19 17.582 53.310 84.183 1.00 0.00 H new ATOM 0 HA ARG A 19 17.337 55.595 82.443 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.381 53.905 83.378 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.299 53.514 81.671 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.049 55.605 81.018 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.129 56.436 82.257 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.796 56.130 83.904 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.450 54.700 83.130 1.00 0.00 H new ATOM 0 HE ARG A 19 21.865 56.885 81.300 1.00 0.00 H new ATOM 0 HH11 ARG A 19 22.311 57.193 84.611 1.00 0.00 H new ATOM 0 HH12 ARG A 19 24.067 57.378 84.555 1.00 0.00 H new ATOM 0 HH21 ARG A 19 24.299 56.498 81.177 1.00 0.00 H new ATOM 0 HH22 ARG A 19 25.183 56.987 82.626 1.00 0.00 H new ATOM 272 N LEU A 20 16.422 52.712 81.237 1.00 0.00 N ATOM 273 CA LEU A 20 15.833 52.076 80.019 1.00 0.00 C ATOM 274 C LEU A 20 14.306 52.254 79.981 1.00 0.00 C ATOM 275 O LEU A 20 13.728 52.426 78.926 1.00 0.00 O ATOM 276 CB LEU A 20 16.173 50.582 80.011 1.00 0.00 C ATOM 277 CG LEU A 20 15.988 50.004 81.414 1.00 0.00 C ATOM 278 CD1 LEU A 20 15.452 48.575 81.312 1.00 0.00 C ATOM 279 CD2 LEU A 20 17.336 49.988 82.140 1.00 0.00 C ATOM 0 H LEU A 20 16.394 52.144 82.084 1.00 0.00 H new ATOM 0 HA LEU A 20 16.256 52.562 79.140 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.531 50.057 79.303 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.201 50.435 79.679 1.00 0.00 H new ATOM 0 HG LEU A 20 15.280 50.620 81.969 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.320 48.163 82.313 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.493 48.582 80.794 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.160 47.960 80.757 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.205 49.576 83.141 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.042 49.372 81.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.722 51.005 82.214 1.00 0.00 H new ATOM 291 N THR A 21 13.643 52.203 81.105 1.00 0.00 N ATOM 292 CA THR A 21 12.159 52.358 81.093 1.00 0.00 C ATOM 293 C THR A 21 11.783 53.833 81.252 1.00 0.00 C ATOM 294 O THR A 21 10.855 54.318 80.636 1.00 0.00 O ATOM 295 CB THR A 21 11.553 51.557 82.247 1.00 0.00 C ATOM 296 OG1 THR A 21 12.596 50.950 82.998 1.00 0.00 O ATOM 297 CG2 THR A 21 10.627 50.477 81.686 1.00 0.00 C ATOM 0 H THR A 21 14.061 52.062 82.025 1.00 0.00 H new ATOM 0 HA THR A 21 11.772 51.989 80.143 1.00 0.00 H new ATOM 0 HB THR A 21 10.981 52.222 82.894 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.210 50.438 83.739 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.195 49.906 82.508 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.829 50.945 81.110 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.197 49.809 81.040 1.00 0.00 H new ATOM 305 N GLY A 22 12.490 54.550 82.081 1.00 0.00 N ATOM 306 CA GLY A 22 12.163 55.990 82.284 1.00 0.00 C ATOM 307 C GLY A 22 11.020 56.109 83.301 1.00 0.00 C ATOM 308 O GLY A 22 9.906 56.446 82.954 1.00 0.00 O ATOM 0 H GLY A 22 13.279 54.202 82.626 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.041 56.528 82.641 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.873 56.446 81.338 1.00 0.00 H new ATOM 312 N GLU A 23 11.280 55.827 84.555 1.00 0.00 N ATOM 313 CA GLU A 23 10.203 55.919 85.576 1.00 0.00 C ATOM 314 C GLU A 23 10.811 55.748 86.971 1.00 0.00 C ATOM 315 O GLU A 23 11.875 55.181 87.125 1.00 0.00 O ATOM 316 CB GLU A 23 9.177 54.811 85.330 1.00 0.00 C ATOM 317 CG GLU A 23 7.766 55.374 85.512 1.00 0.00 C ATOM 318 CD GLU A 23 7.555 56.544 84.548 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.409 56.289 83.364 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.542 57.673 85.010 1.00 0.00 O ATOM 0 H GLU A 23 12.192 55.538 84.910 1.00 0.00 H new ATOM 0 HA GLU A 23 9.715 56.891 85.507 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.293 54.410 84.323 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.343 53.986 86.023 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.026 54.596 85.324 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.625 55.706 86.541 1.00 0.00 H new ATOM 327 N CYS A 24 10.139 56.238 87.982 1.00 0.00 N ATOM 328 CA CYS A 24 10.662 56.116 89.378 1.00 0.00 C ATOM 329 C CYS A 24 10.757 54.642 89.780 1.00 0.00 C ATOM 330 O CYS A 24 9.758 53.975 89.960 1.00 0.00 O ATOM 331 CB CYS A 24 9.706 56.834 90.334 1.00 0.00 C ATOM 332 SG CYS A 24 10.384 58.456 90.764 1.00 0.00 S ATOM 0 H CYS A 24 9.244 56.721 87.900 1.00 0.00 H new ATOM 0 HA CYS A 24 11.654 56.565 89.428 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.728 56.949 89.868 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.561 56.238 91.235 1.00 0.00 H new ATOM 337 N LEU A 25 11.949 54.130 89.941 1.00 0.00 N ATOM 338 CA LEU A 25 12.082 52.700 90.356 1.00 0.00 C ATOM 339 C LEU A 25 13.014 52.569 91.564 1.00 0.00 C ATOM 340 O LEU A 25 13.800 51.649 91.665 1.00 0.00 O ATOM 341 CB LEU A 25 12.534 51.824 89.166 1.00 0.00 C ATOM 342 CG LEU A 25 14.011 52.023 88.763 1.00 0.00 C ATOM 343 CD1 LEU A 25 14.507 53.427 89.091 1.00 0.00 C ATOM 344 CD2 LEU A 25 14.886 50.992 89.463 1.00 0.00 C ATOM 0 H LEU A 25 12.827 54.632 89.805 1.00 0.00 H new ATOM 0 HA LEU A 25 11.104 52.334 90.668 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.376 50.776 89.419 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.901 52.043 88.306 1.00 0.00 H new ATOM 0 HG LEU A 25 14.076 51.890 87.683 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.550 53.524 88.791 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.906 54.160 88.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.420 53.602 90.163 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.926 51.140 89.173 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.791 51.107 90.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.568 49.990 89.175 1.00 0.00 H new ATOM 356 N LYS A 26 12.922 53.486 92.491 1.00 0.00 N ATOM 357 CA LYS A 26 13.789 53.423 93.703 1.00 0.00 C ATOM 358 C LYS A 26 13.049 54.054 94.890 1.00 0.00 C ATOM 359 O LYS A 26 13.427 55.102 95.375 1.00 0.00 O ATOM 360 CB LYS A 26 15.075 54.208 93.448 1.00 0.00 C ATOM 361 CG LYS A 26 16.211 53.620 94.287 1.00 0.00 C ATOM 362 CD LYS A 26 17.346 54.642 94.395 1.00 0.00 C ATOM 363 CE LYS A 26 18.673 53.975 94.033 1.00 0.00 C ATOM 364 NZ LYS A 26 19.197 53.233 95.214 1.00 0.00 N ATOM 0 H LYS A 26 12.281 54.279 92.460 1.00 0.00 H new ATOM 0 HA LYS A 26 14.028 52.383 93.924 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.333 54.169 92.390 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.928 55.258 93.701 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.846 53.359 95.280 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.577 52.701 93.830 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.156 55.483 93.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.393 55.043 95.408 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.532 53.292 93.195 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.395 54.727 93.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.100 52.780 94.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.347 53.895 96.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.511 52.505 95.499 1.00 0.00 H new ATOM 378 N CYS A 27 11.993 53.438 95.360 1.00 0.00 N ATOM 379 CA CYS A 27 11.240 54.024 96.506 1.00 0.00 C ATOM 380 C CYS A 27 12.194 54.291 97.672 1.00 0.00 C ATOM 381 O CYS A 27 13.157 53.579 97.877 1.00 0.00 O ATOM 382 CB CYS A 27 10.161 53.038 96.953 1.00 0.00 C ATOM 383 SG CYS A 27 9.006 52.750 95.590 1.00 0.00 S ATOM 0 H CYS A 27 11.623 52.558 95.000 1.00 0.00 H new ATOM 0 HA CYS A 27 10.781 54.962 96.195 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.618 52.098 97.262 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.628 53.433 97.818 1.00 0.00 H new ATOM 388 N ILE A 28 11.939 55.322 98.432 1.00 0.00 N ATOM 389 CA ILE A 28 12.840 55.642 99.581 1.00 0.00 C ATOM 390 C ILE A 28 12.225 55.228 100.921 1.00 0.00 C ATOM 391 O ILE A 28 12.787 54.438 101.648 1.00 0.00 O ATOM 392 CB ILE A 28 13.154 57.144 99.620 1.00 0.00 C ATOM 393 CG1 ILE A 28 12.169 57.940 98.765 1.00 0.00 C ATOM 394 CG2 ILE A 28 14.563 57.386 99.093 1.00 0.00 C ATOM 395 CD1 ILE A 28 12.230 59.415 99.163 1.00 0.00 C ATOM 0 H ILE A 28 11.149 55.956 98.309 1.00 0.00 H new ATOM 0 HA ILE A 28 13.758 55.075 99.430 1.00 0.00 H new ATOM 0 HB ILE A 28 13.070 57.476 100.655 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.413 57.826 97.709 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.158 57.556 98.902 1.00 0.00 H new ATOM 0 HG21 ILE A 28 14.784 58.453 99.122 1.00 0.00 H new ATOM 0 HG22 ILE A 28 15.281 56.850 99.714 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.634 57.028 98.066 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.528 59.985 98.555 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.966 59.519 100.215 1.00 0.00 H new ATOM 0 HD13 ILE A 28 13.240 59.794 99.003 1.00 0.00 H new ATOM 407 N TYR A 29 11.111 55.797 101.269 1.00 0.00 N ATOM 408 CA TYR A 29 10.469 55.486 102.588 1.00 0.00 C ATOM 409 C TYR A 29 9.733 54.133 102.575 1.00 0.00 C ATOM 410 O TYR A 29 8.535 54.074 102.766 1.00 0.00 O ATOM 411 CB TYR A 29 9.467 56.592 102.925 1.00 0.00 C ATOM 412 CG TYR A 29 10.153 57.934 102.844 1.00 0.00 C ATOM 413 CD1 TYR A 29 11.226 58.223 103.697 1.00 0.00 C ATOM 414 CD2 TYR A 29 9.720 58.889 101.917 1.00 0.00 C ATOM 415 CE1 TYR A 29 11.865 59.465 103.621 1.00 0.00 C ATOM 416 CE2 TYR A 29 10.360 60.131 101.841 1.00 0.00 C ATOM 417 CZ TYR A 29 11.433 60.420 102.694 1.00 0.00 C ATOM 418 OH TYR A 29 12.063 61.644 102.620 1.00 0.00 O ATOM 0 H TYR A 29 10.606 56.473 100.696 1.00 0.00 H new ATOM 0 HA TYR A 29 11.259 55.428 103.337 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.626 56.559 102.232 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.062 56.438 103.925 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.560 57.487 104.413 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.892 58.667 101.260 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.693 59.687 104.278 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.027 60.867 101.124 1.00 0.00 H new ATOM 0 HH TYR A 29 11.640 62.188 101.923 1.00 0.00 H new ATOM 428 N ASN A 30 10.442 53.050 102.390 1.00 0.00 N ATOM 429 CA ASN A 30 9.800 51.703 102.409 1.00 0.00 C ATOM 430 C ASN A 30 8.437 51.741 101.721 1.00 0.00 C ATOM 431 O ASN A 30 7.423 51.442 102.319 1.00 0.00 O ATOM 432 CB ASN A 30 9.618 51.251 103.859 1.00 0.00 C ATOM 433 CG ASN A 30 10.988 50.961 104.479 1.00 0.00 C ATOM 434 OD1 ASN A 30 11.604 49.959 104.173 1.00 0.00 O ATOM 435 ND2 ASN A 30 11.496 51.799 105.343 1.00 0.00 N ATOM 0 H ASN A 30 11.449 53.042 102.225 1.00 0.00 H new ATOM 0 HA ASN A 30 10.443 51.004 101.873 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.105 52.024 104.430 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.993 50.359 103.897 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.408 51.612 105.759 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.981 52.640 105.601 1.00 0.00 H new ATOM 442 N THR A 31 8.404 52.082 100.469 1.00 0.00 N ATOM 443 CA THR A 31 7.099 52.111 99.748 1.00 0.00 C ATOM 444 C THR A 31 7.185 51.193 98.528 1.00 0.00 C ATOM 445 O THR A 31 8.235 51.024 97.941 1.00 0.00 O ATOM 446 CB THR A 31 6.772 53.540 99.307 1.00 0.00 C ATOM 447 OG1 THR A 31 7.680 53.946 98.295 1.00 0.00 O ATOM 448 CG2 THR A 31 6.884 54.482 100.506 1.00 0.00 C ATOM 0 H THR A 31 9.218 52.342 99.911 1.00 0.00 H new ATOM 0 HA THR A 31 6.307 51.765 100.412 1.00 0.00 H new ATOM 0 HB THR A 31 5.756 53.574 98.913 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.495 54.299 98.709 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.651 55.500 100.192 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.182 54.171 101.280 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.899 54.448 100.902 1.00 0.00 H new ATOM 456 N ALA A 32 6.093 50.584 98.152 1.00 0.00 N ATOM 457 CA ALA A 32 6.125 49.661 96.983 1.00 0.00 C ATOM 458 C ALA A 32 5.310 50.245 95.828 1.00 0.00 C ATOM 459 O ALA A 32 4.966 51.410 95.819 1.00 0.00 O ATOM 460 CB ALA A 32 5.534 48.309 97.388 1.00 0.00 C ATOM 0 H ALA A 32 5.183 50.686 98.602 1.00 0.00 H new ATOM 0 HA ALA A 32 7.158 49.532 96.660 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.556 47.632 96.534 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.121 47.885 98.203 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.503 48.446 97.716 1.00 0.00 H new ATOM 466 N GLY A 33 5.008 49.437 94.850 1.00 0.00 N ATOM 467 CA GLY A 33 4.223 49.929 93.683 1.00 0.00 C ATOM 468 C GLY A 33 5.182 50.446 92.615 1.00 0.00 C ATOM 469 O GLY A 33 6.247 50.952 92.914 1.00 0.00 O ATOM 0 H GLY A 33 5.272 48.453 94.809 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.608 49.125 93.278 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.545 50.723 93.995 1.00 0.00 H new ATOM 473 N PHE A 34 4.820 50.316 91.374 1.00 0.00 N ATOM 474 CA PHE A 34 5.718 50.793 90.284 1.00 0.00 C ATOM 475 C PHE A 34 6.097 52.263 90.528 1.00 0.00 C ATOM 476 O PHE A 34 7.162 52.704 90.146 1.00 0.00 O ATOM 477 CB PHE A 34 4.996 50.665 88.932 1.00 0.00 C ATOM 478 CG PHE A 34 5.964 50.863 87.781 1.00 0.00 C ATOM 479 CD1 PHE A 34 7.342 50.979 88.019 1.00 0.00 C ATOM 480 CD2 PHE A 34 5.479 50.922 86.465 1.00 0.00 C ATOM 481 CE1 PHE A 34 8.227 51.155 86.949 1.00 0.00 C ATOM 482 CE2 PHE A 34 6.366 51.100 85.397 1.00 0.00 C ATOM 483 CZ PHE A 34 7.740 51.215 85.638 1.00 0.00 C ATOM 0 H PHE A 34 3.942 49.901 91.063 1.00 0.00 H new ATOM 0 HA PHE A 34 6.624 50.186 90.272 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.530 49.683 88.856 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.196 51.403 88.871 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.720 50.932 89.029 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.420 50.830 86.276 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.287 51.245 87.135 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.990 51.149 84.386 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.424 51.350 84.813 1.00 0.00 H new ATOM 493 N TYR A 35 5.237 53.027 91.158 1.00 0.00 N ATOM 494 CA TYR A 35 5.561 54.460 91.414 1.00 0.00 C ATOM 495 C TYR A 35 5.542 54.728 92.922 1.00 0.00 C ATOM 496 O TYR A 35 5.106 55.771 93.370 1.00 0.00 O ATOM 497 CB TYR A 35 4.516 55.344 90.731 1.00 0.00 C ATOM 498 CG TYR A 35 4.557 55.112 89.241 1.00 0.00 C ATOM 499 CD1 TYR A 35 3.874 54.024 88.681 1.00 0.00 C ATOM 500 CD2 TYR A 35 5.276 55.984 88.417 1.00 0.00 C ATOM 501 CE1 TYR A 35 3.913 53.810 87.300 1.00 0.00 C ATOM 502 CE2 TYR A 35 5.315 55.771 87.034 1.00 0.00 C ATOM 503 CZ TYR A 35 4.632 54.684 86.476 1.00 0.00 C ATOM 504 OH TYR A 35 4.670 54.474 85.113 1.00 0.00 O ATOM 0 H TYR A 35 4.328 52.719 91.504 1.00 0.00 H new ATOM 0 HA TYR A 35 6.551 54.686 91.017 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.523 55.116 91.118 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.711 56.393 90.952 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.318 53.351 89.316 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.802 56.823 88.848 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.388 52.970 86.869 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.871 56.444 86.399 1.00 0.00 H new ATOM 0 HH TYR A 35 5.000 55.282 84.667 1.00 0.00 H new ATOM 514 N CYS A 36 6.003 53.796 93.709 1.00 0.00 N ATOM 515 CA CYS A 36 6.003 53.999 95.184 1.00 0.00 C ATOM 516 C CYS A 36 4.619 54.473 95.625 1.00 0.00 C ATOM 517 O CYS A 36 4.476 55.486 96.279 1.00 0.00 O ATOM 518 CB CYS A 36 7.046 55.051 95.558 1.00 0.00 C ATOM 519 SG CYS A 36 8.646 54.594 94.848 1.00 0.00 S ATOM 0 H CYS A 36 6.380 52.902 93.394 1.00 0.00 H new ATOM 0 HA CYS A 36 6.246 53.060 95.682 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.739 56.030 95.190 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.126 55.129 96.642 1.00 0.00 H new ATOM 524 N ASP A 37 3.595 53.756 95.257 1.00 0.00 N ATOM 525 CA ASP A 37 2.215 54.175 95.640 1.00 0.00 C ATOM 526 C ASP A 37 1.694 53.312 96.794 1.00 0.00 C ATOM 527 O ASP A 37 0.577 53.482 97.244 1.00 0.00 O ATOM 528 CB ASP A 37 1.291 54.016 94.431 1.00 0.00 C ATOM 529 CG ASP A 37 0.391 55.247 94.311 1.00 0.00 C ATOM 530 OD1 ASP A 37 -0.181 55.639 95.314 1.00 0.00 O ATOM 531 OD2 ASP A 37 0.287 55.775 93.216 1.00 0.00 O ATOM 0 H ASP A 37 3.652 52.898 94.708 1.00 0.00 H new ATOM 0 HA ASP A 37 2.236 55.216 95.963 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.881 53.894 93.523 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.684 53.118 94.540 1.00 0.00 H new ATOM 536 N ARG A 38 2.477 52.387 97.280 1.00 0.00 N ATOM 537 CA ARG A 38 2.002 51.530 98.394 1.00 0.00 C ATOM 538 C ARG A 38 3.072 51.490 99.488 1.00 0.00 C ATOM 539 O ARG A 38 4.071 52.178 99.422 1.00 0.00 O ATOM 540 CB ARG A 38 1.745 50.116 97.859 1.00 0.00 C ATOM 541 CG ARG A 38 0.362 50.061 97.204 1.00 0.00 C ATOM 542 CD ARG A 38 -0.040 48.600 96.983 1.00 0.00 C ATOM 543 NE ARG A 38 -1.427 48.385 97.486 1.00 0.00 N ATOM 544 CZ ARG A 38 -1.641 47.565 98.478 1.00 0.00 C ATOM 545 NH1 ARG A 38 -1.562 47.994 99.708 1.00 0.00 N ATOM 546 NH2 ARG A 38 -1.937 46.316 98.241 1.00 0.00 N ATOM 0 H ARG A 38 3.423 52.191 96.952 1.00 0.00 H new ATOM 0 HA ARG A 38 1.079 51.932 98.812 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.513 49.845 97.135 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.803 49.392 98.672 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.372 50.560 97.837 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.377 50.593 96.253 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.016 48.352 95.923 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.653 47.938 97.502 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.208 48.879 97.055 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.333 48.970 99.894 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.729 47.353 100.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.001 45.981 97.280 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.104 45.675 99.017 1.00 0.00 H new ATOM 560 N CYS A 39 2.869 50.681 100.483 1.00 0.00 N ATOM 561 CA CYS A 39 3.867 50.565 101.583 1.00 0.00 C ATOM 562 C CYS A 39 4.501 49.170 101.507 1.00 0.00 C ATOM 563 O CYS A 39 3.810 48.171 101.476 1.00 0.00 O ATOM 564 CB CYS A 39 3.158 50.740 102.934 1.00 0.00 C ATOM 565 SG CYS A 39 2.308 52.341 102.980 1.00 0.00 S ATOM 0 H CYS A 39 2.046 50.087 100.585 1.00 0.00 H new ATOM 0 HA CYS A 39 4.635 51.332 101.485 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.441 49.933 103.086 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.883 50.679 103.746 1.00 0.00 H new ATOM 570 N LYS A 40 5.806 49.084 101.460 1.00 0.00 N ATOM 571 CA LYS A 40 6.455 47.744 101.366 1.00 0.00 C ATOM 572 C LYS A 40 6.021 46.874 102.550 1.00 0.00 C ATOM 573 O LYS A 40 5.704 47.366 103.615 1.00 0.00 O ATOM 574 CB LYS A 40 7.978 47.921 101.391 1.00 0.00 C ATOM 575 CG LYS A 40 8.652 46.584 101.709 1.00 0.00 C ATOM 576 CD LYS A 40 10.169 46.774 101.756 1.00 0.00 C ATOM 577 CE LYS A 40 10.780 46.321 100.430 1.00 0.00 C ATOM 578 NZ LYS A 40 12.049 45.589 100.697 1.00 0.00 N ATOM 0 H LYS A 40 6.445 49.878 101.483 1.00 0.00 H new ATOM 0 HA LYS A 40 6.155 47.258 100.437 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.326 48.293 100.427 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.254 48.665 102.139 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.293 46.202 102.665 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.391 45.844 100.952 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.410 47.821 101.941 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.593 46.199 102.579 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.081 45.678 99.896 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.972 47.183 99.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.467 45.279 99.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.715 46.217 101.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.852 44.758 101.291 1.00 0.00 H new ATOM 592 N GLU A 41 6.005 45.579 102.367 1.00 0.00 N ATOM 593 CA GLU A 41 5.593 44.671 103.476 1.00 0.00 C ATOM 594 C GLU A 41 6.535 44.871 104.664 1.00 0.00 C ATOM 595 O GLU A 41 7.740 44.783 104.532 1.00 0.00 O ATOM 596 CB GLU A 41 5.674 43.217 103.001 1.00 0.00 C ATOM 597 CG GLU A 41 4.411 42.867 102.213 1.00 0.00 C ATOM 598 CD GLU A 41 4.534 43.405 100.786 1.00 0.00 C ATOM 599 OE1 GLU A 41 5.263 42.807 100.010 1.00 0.00 O ATOM 600 OE2 GLU A 41 3.899 44.403 100.493 1.00 0.00 O ATOM 0 H GLU A 41 6.260 45.112 101.497 1.00 0.00 H new ATOM 0 HA GLU A 41 4.570 44.898 103.776 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.556 43.076 102.376 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.779 42.549 103.856 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.269 41.786 102.195 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.535 43.295 102.700 1.00 0.00 H new ATOM 607 N GLY A 42 6.004 45.160 105.821 1.00 0.00 N ATOM 608 CA GLY A 42 6.875 45.390 107.001 1.00 0.00 C ATOM 609 C GLY A 42 6.553 46.775 107.523 1.00 0.00 C ATOM 610 O GLY A 42 6.575 47.033 108.710 1.00 0.00 O ATOM 0 H GLY A 42 5.003 45.246 105.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.693 44.637 107.768 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.927 45.316 106.725 1.00 0.00 H new ATOM 614 N PHE A 43 6.205 47.660 106.635 1.00 0.00 N ATOM 615 CA PHE A 43 5.825 49.015 107.068 1.00 0.00 C ATOM 616 C PHE A 43 4.496 49.386 106.436 1.00 0.00 C ATOM 617 O PHE A 43 4.295 49.289 105.242 1.00 0.00 O ATOM 618 CB PHE A 43 6.860 50.044 106.660 1.00 0.00 C ATOM 619 CG PHE A 43 8.240 49.432 106.702 1.00 0.00 C ATOM 620 CD1 PHE A 43 8.675 48.624 105.645 1.00 0.00 C ATOM 621 CD2 PHE A 43 9.082 49.672 107.794 1.00 0.00 C ATOM 622 CE1 PHE A 43 9.955 48.058 105.679 1.00 0.00 C ATOM 623 CE2 PHE A 43 10.361 49.104 107.827 1.00 0.00 C ATOM 624 CZ PHE A 43 10.798 48.296 106.770 1.00 0.00 C ATOM 0 H PHE A 43 6.170 47.497 105.629 1.00 0.00 H new ATOM 0 HA PHE A 43 5.752 49.011 108.156 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.646 50.409 105.656 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.814 50.904 107.329 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.024 48.437 104.804 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.745 50.294 108.610 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.292 47.437 104.862 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.012 49.289 108.669 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.784 47.857 106.797 1.00 0.00 H new ATOM 634 N PHE A 44 3.603 49.821 107.248 1.00 0.00 N ATOM 635 CA PHE A 44 2.257 50.234 106.760 1.00 0.00 C ATOM 636 C PHE A 44 2.100 51.737 106.992 1.00 0.00 C ATOM 637 O PHE A 44 2.948 52.368 107.591 1.00 0.00 O ATOM 638 CB PHE A 44 1.156 49.489 107.529 1.00 0.00 C ATOM 639 CG PHE A 44 1.712 48.229 108.153 1.00 0.00 C ATOM 640 CD1 PHE A 44 2.266 48.271 109.439 1.00 0.00 C ATOM 641 CD2 PHE A 44 1.673 47.020 107.448 1.00 0.00 C ATOM 642 CE1 PHE A 44 2.780 47.105 110.019 1.00 0.00 C ATOM 643 CE2 PHE A 44 2.186 45.854 108.028 1.00 0.00 C ATOM 644 CZ PHE A 44 2.740 45.896 109.313 1.00 0.00 C ATOM 0 H PHE A 44 3.739 49.915 108.255 1.00 0.00 H new ATOM 0 HA PHE A 44 2.166 49.995 105.700 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.743 50.135 108.304 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.338 49.238 106.854 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.297 49.203 109.983 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.247 46.987 106.456 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.207 47.138 111.010 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.154 44.922 107.484 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.136 44.996 109.760 1.00 0.00 H new ATOM 654 N GLY A 45 1.032 52.322 106.531 1.00 0.00 N ATOM 655 CA GLY A 45 0.851 53.785 106.743 1.00 0.00 C ATOM 656 C GLY A 45 0.417 54.450 105.441 1.00 0.00 C ATOM 657 O GLY A 45 -0.330 53.894 104.661 1.00 0.00 O ATOM 0 H GLY A 45 0.282 51.856 106.021 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.103 53.959 107.517 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.783 54.228 107.095 1.00 0.00 H new ATOM 661 N ASN A 46 0.878 55.643 105.209 1.00 0.00 N ATOM 662 CA ASN A 46 0.496 56.364 103.962 1.00 0.00 C ATOM 663 C ASN A 46 1.760 56.898 103.276 1.00 0.00 C ATOM 664 O ASN A 46 2.411 57.777 103.796 1.00 0.00 O ATOM 665 CB ASN A 46 -0.416 57.538 104.319 1.00 0.00 C ATOM 666 CG ASN A 46 -1.857 57.040 104.450 1.00 0.00 C ATOM 667 OD1 ASN A 46 -2.128 55.872 104.257 1.00 0.00 O ATOM 668 ND2 ASN A 46 -2.798 57.884 104.773 1.00 0.00 N ATOM 0 H ASN A 46 1.505 56.154 105.830 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.026 55.682 103.290 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.091 57.994 105.254 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.354 58.308 103.550 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.762 57.563 104.864 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.570 58.865 104.935 1.00 0.00 H new ATOM 675 N PRO A 47 2.073 56.351 102.128 1.00 0.00 N ATOM 676 CA PRO A 47 3.265 56.759 101.365 1.00 0.00 C ATOM 677 C PRO A 47 3.031 58.102 100.669 1.00 0.00 C ATOM 678 O PRO A 47 3.913 58.644 100.035 1.00 0.00 O ATOM 679 CB PRO A 47 3.441 55.629 100.346 1.00 0.00 C ATOM 680 CG PRO A 47 2.059 54.950 100.204 1.00 0.00 C ATOM 681 CD PRO A 47 1.272 55.292 101.482 1.00 0.00 C ATOM 0 HA PRO A 47 4.146 56.902 101.991 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.782 56.020 99.387 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.192 54.915 100.684 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.537 55.313 99.318 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.166 53.871 100.091 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.266 55.640 101.249 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.166 54.422 102.130 1.00 0.00 H new ATOM 689 N LEU A 48 1.850 58.645 100.785 1.00 0.00 N ATOM 690 CA LEU A 48 1.566 59.954 100.133 1.00 0.00 C ATOM 691 C LEU A 48 1.279 61.009 101.208 1.00 0.00 C ATOM 692 O LEU A 48 0.395 61.831 101.064 1.00 0.00 O ATOM 693 CB LEU A 48 0.351 59.815 99.215 1.00 0.00 C ATOM 694 CG LEU A 48 0.773 60.075 97.768 1.00 0.00 C ATOM 695 CD1 LEU A 48 -0.412 59.819 96.835 1.00 0.00 C ATOM 696 CD2 LEU A 48 1.231 61.529 97.625 1.00 0.00 C ATOM 0 H LEU A 48 1.070 58.239 101.303 1.00 0.00 H new ATOM 0 HA LEU A 48 2.430 60.262 99.545 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.075 58.816 99.307 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.425 60.521 99.511 1.00 0.00 H new ATOM 0 HG LEU A 48 1.593 59.407 97.503 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.110 60.005 95.804 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.738 58.784 96.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.233 60.486 97.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.532 61.716 96.594 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.411 62.196 97.890 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.076 61.711 98.289 1.00 0.00 H new ATOM 708 N ALA A 49 2.019 60.995 102.286 1.00 0.00 N ATOM 709 CA ALA A 49 1.786 61.997 103.364 1.00 0.00 C ATOM 710 C ALA A 49 2.877 63.066 103.301 1.00 0.00 C ATOM 711 O ALA A 49 3.972 62.800 102.845 1.00 0.00 O ATOM 712 CB ALA A 49 1.836 61.297 104.724 1.00 0.00 C ATOM 0 H ALA A 49 2.774 60.333 102.465 1.00 0.00 H new ATOM 0 HA ALA A 49 0.810 62.463 103.230 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.666 62.027 105.515 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.064 60.529 104.767 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.814 60.836 104.860 1.00 0.00 H new ATOM 718 N PRO A 50 2.552 64.242 103.770 1.00 0.00 N ATOM 719 CA PRO A 50 3.501 65.366 103.787 1.00 0.00 C ATOM 720 C PRO A 50 4.513 65.155 104.912 1.00 0.00 C ATOM 721 O PRO A 50 5.640 65.604 104.849 1.00 0.00 O ATOM 722 CB PRO A 50 2.614 66.586 104.059 1.00 0.00 C ATOM 723 CG PRO A 50 1.329 66.045 104.728 1.00 0.00 C ATOM 724 CD PRO A 50 1.222 64.561 104.330 1.00 0.00 C ATOM 0 HA PRO A 50 4.074 65.474 102.866 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.121 67.299 104.710 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.379 67.111 103.133 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.380 66.154 105.811 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.453 66.601 104.393 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.991 63.933 105.190 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.432 64.401 103.597 1.00 0.00 H new ATOM 732 N ASN A 51 4.114 64.457 105.939 1.00 0.00 N ATOM 733 CA ASN A 51 5.045 64.194 107.071 1.00 0.00 C ATOM 734 C ASN A 51 5.595 62.769 106.944 1.00 0.00 C ATOM 735 O ASN A 51 4.856 61.853 106.643 1.00 0.00 O ATOM 736 CB ASN A 51 4.293 64.337 108.396 1.00 0.00 C ATOM 737 CG ASN A 51 4.865 65.518 109.184 1.00 0.00 C ATOM 738 OD1 ASN A 51 5.332 65.355 110.294 1.00 0.00 O ATOM 739 ND2 ASN A 51 4.847 66.710 108.653 1.00 0.00 N ATOM 0 H ASN A 51 3.182 64.057 106.043 1.00 0.00 H new ATOM 0 HA ASN A 51 5.867 64.909 107.046 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.231 64.492 108.208 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.383 63.420 108.978 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.225 67.504 109.170 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.455 66.847 107.721 1.00 0.00 H new ATOM 746 N PRO A 52 6.875 62.614 107.184 1.00 0.00 N ATOM 747 CA PRO A 52 7.533 61.298 107.108 1.00 0.00 C ATOM 748 C PRO A 52 7.182 60.455 108.340 1.00 0.00 C ATOM 749 O PRO A 52 7.347 59.251 108.343 1.00 0.00 O ATOM 750 CB PRO A 52 9.025 61.640 107.082 1.00 0.00 C ATOM 751 CG PRO A 52 9.158 63.050 107.699 1.00 0.00 C ATOM 752 CD PRO A 52 7.780 63.724 107.553 1.00 0.00 C ATOM 0 HA PRO A 52 7.224 60.712 106.242 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.601 60.911 107.651 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.410 61.624 106.062 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.451 62.989 108.747 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.928 63.627 107.186 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.468 64.201 108.482 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.794 64.499 106.787 1.00 0.00 H new ATOM 760 N ALA A 53 6.693 61.072 109.387 1.00 0.00 N ATOM 761 CA ALA A 53 6.332 60.290 110.602 1.00 0.00 C ATOM 762 C ALA A 53 5.028 59.531 110.342 1.00 0.00 C ATOM 763 O ALA A 53 4.759 58.515 110.951 1.00 0.00 O ATOM 764 CB ALA A 53 6.147 61.240 111.788 1.00 0.00 C ATOM 0 H ALA A 53 6.530 62.077 109.450 1.00 0.00 H new ATOM 0 HA ALA A 53 7.128 59.582 110.832 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.883 60.666 112.676 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.076 61.781 111.969 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.351 61.950 111.565 1.00 0.00 H new ATOM 770 N ASP A 54 4.221 60.013 109.438 1.00 0.00 N ATOM 771 CA ASP A 54 2.939 59.317 109.135 1.00 0.00 C ATOM 772 C ASP A 54 3.041 58.651 107.761 1.00 0.00 C ATOM 773 O ASP A 54 2.055 58.458 107.077 1.00 0.00 O ATOM 774 CB ASP A 54 1.794 60.330 109.128 1.00 0.00 C ATOM 775 CG ASP A 54 1.183 60.421 110.528 1.00 0.00 C ATOM 776 OD1 ASP A 54 1.906 60.762 111.448 1.00 0.00 O ATOM 777 OD2 ASP A 54 0.000 60.148 110.655 1.00 0.00 O ATOM 0 H ASP A 54 4.394 60.859 108.896 1.00 0.00 H new ATOM 0 HA ASP A 54 2.745 58.561 109.896 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.161 61.308 108.816 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.034 60.030 108.407 1.00 0.00 H new ATOM 782 N LYS A 55 4.230 58.302 107.352 1.00 0.00 N ATOM 783 CA LYS A 55 4.407 57.653 106.024 1.00 0.00 C ATOM 784 C LYS A 55 4.132 56.147 106.156 1.00 0.00 C ATOM 785 O LYS A 55 3.267 55.734 106.903 1.00 0.00 O ATOM 786 CB LYS A 55 5.843 57.891 105.543 1.00 0.00 C ATOM 787 CG LYS A 55 5.872 57.926 104.014 1.00 0.00 C ATOM 788 CD LYS A 55 6.929 58.931 103.552 1.00 0.00 C ATOM 789 CE LYS A 55 6.317 59.881 102.523 1.00 0.00 C ATOM 790 NZ LYS A 55 7.109 61.142 102.481 1.00 0.00 N ATOM 0 H LYS A 55 5.090 58.439 107.884 1.00 0.00 H new ATOM 0 HA LYS A 55 3.711 58.077 105.300 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.221 58.831 105.946 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.497 57.100 105.911 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.099 56.935 103.620 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.893 58.207 103.626 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.306 59.496 104.405 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.779 58.406 103.117 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.307 59.412 101.539 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.281 60.098 102.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.746 61.755 101.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.027 61.634 103.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.108 60.919 102.297 1.00 0.00 H new ATOM 804 N CYS A 56 4.861 55.324 105.445 1.00 0.00 N ATOM 805 CA CYS A 56 4.645 53.853 105.554 1.00 0.00 C ATOM 806 C CYS A 56 5.589 53.308 106.632 1.00 0.00 C ATOM 807 O CYS A 56 6.666 52.828 106.338 1.00 0.00 O ATOM 808 CB CYS A 56 4.963 53.177 104.215 1.00 0.00 C ATOM 809 SG CYS A 56 3.786 53.723 102.950 1.00 0.00 S ATOM 0 H CYS A 56 5.594 55.608 104.796 1.00 0.00 H new ATOM 0 HA CYS A 56 3.607 53.649 105.815 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.980 53.421 103.907 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.915 52.094 104.325 1.00 0.00 H new ATOM 814 N LYS A 57 5.204 53.393 107.877 1.00 0.00 N ATOM 815 CA LYS A 57 6.097 52.894 108.963 1.00 0.00 C ATOM 816 C LYS A 57 5.444 51.710 109.674 1.00 0.00 C ATOM 817 O LYS A 57 4.289 51.405 109.461 1.00 0.00 O ATOM 818 CB LYS A 57 6.345 54.017 109.970 1.00 0.00 C ATOM 819 CG LYS A 57 6.731 55.295 109.226 1.00 0.00 C ATOM 820 CD LYS A 57 6.762 56.466 110.209 1.00 0.00 C ATOM 821 CE LYS A 57 8.165 56.595 110.803 1.00 0.00 C ATOM 822 NZ LYS A 57 8.091 57.322 112.101 1.00 0.00 N ATOM 0 H LYS A 57 4.315 53.784 108.188 1.00 0.00 H new ATOM 0 HA LYS A 57 7.043 52.572 108.529 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.449 54.188 110.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.139 53.732 110.660 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.707 55.175 108.756 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.016 55.495 108.428 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.484 57.389 109.700 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.032 56.308 111.003 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.600 55.607 110.952 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.816 57.129 110.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.905 57.964 112.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.210 57.873 112.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.107 56.637 112.884 1.00 0.00 H new ATOM 836 N ALA A 58 6.179 51.043 110.522 1.00 0.00 N ATOM 837 CA ALA A 58 5.609 49.874 111.250 1.00 0.00 C ATOM 838 C ALA A 58 4.398 50.320 112.071 1.00 0.00 C ATOM 839 O ALA A 58 4.192 51.518 112.184 1.00 0.00 O ATOM 840 CB ALA A 58 6.669 49.294 112.187 1.00 0.00 C ATOM 841 OXT ALA A 58 3.698 49.457 112.573 1.00 0.00 O ATOM 0 H ALA A 58 7.151 51.258 110.742 1.00 0.00 H new ATOM 0 HA ALA A 58 5.300 49.116 110.530 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.254 48.439 112.721 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.533 48.974 111.605 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.976 50.055 112.904 1.00 0.00 H new TER 847 ALA A 58