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 8 ASN : amide:sc= -4.26 K(o=-8.1,f=-13!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -155:sc= -3.81! (180deg=-5.58!) USER MOD Single : A 1 ARG N :NH3+ -160:sc= 0 (180deg=-0.454) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 6 ASN : amide:sc= -0.0714 X(o=-0.071,f=0.21) USER MOD Single : A 12 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.62) USER MOD Single : A 16 ASN : amide:sc= -6.24! C(o=-6.2!,f=-6.7!) USER MOD Single : A 18 ASN : amide:sc= -10.6! C(o=-11!,f=-18!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -2.45! 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= -0.246 K(o=-0.25,f=-5!) USER MOD Single : A 31 THR OG1 : rot -153:sc= -3.09! USER MOD Single : A 35 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0613) USER MOD Single : A 46 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.23) USER MOD Single : A 51 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.025) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.722 66.400 79.596 1.00 0.00 N ATOM 2 CA ARG A 1 9.205 66.823 80.927 1.00 0.00 C ATOM 3 C ARG A 1 10.090 66.229 82.029 1.00 0.00 C ATOM 4 O ARG A 1 10.710 65.203 81.833 1.00 0.00 O ATOM 5 CB ARG A 1 7.769 66.323 81.094 1.00 0.00 C ATOM 6 CG ARG A 1 6.939 66.753 79.882 1.00 0.00 C ATOM 7 CD ARG A 1 5.469 66.877 80.288 1.00 0.00 C ATOM 8 NE ARG A 1 4.634 67.095 79.074 1.00 0.00 N ATOM 9 CZ ARG A 1 3.407 66.654 79.039 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.163 65.436 78.642 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.424 67.431 79.401 1.00 0.00 N ATOM 0 H1 ARG A 1 9.362 67.044 78.863 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.762 66.429 79.602 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.404 65.431 79.392 1.00 0.00 H new ATOM 0 HA ARG A 1 9.221 67.911 80.999 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.759 65.237 81.189 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.335 66.728 82.008 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.303 67.706 79.498 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.045 66.024 79.078 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.147 65.974 80.806 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.342 67.707 80.983 1.00 0.00 H new ATOM 0 HE ARG A 1 5.022 67.589 78.270 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.932 64.828 78.359 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.203 65.091 78.615 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.615 68.384 79.712 1.00 0.00 H new ATOM 0 HH22 ARG A 1 1.465 67.086 79.374 1.00 0.00 H new ATOM 27 N PRO A 2 10.124 66.892 83.159 1.00 0.00 N ATOM 28 CA PRO A 2 10.932 66.448 84.313 1.00 0.00 C ATOM 29 C PRO A 2 10.256 65.275 85.030 1.00 0.00 C ATOM 30 O PRO A 2 9.057 65.094 84.950 1.00 0.00 O ATOM 31 CB PRO A 2 10.977 67.684 85.216 1.00 0.00 C ATOM 32 CG PRO A 2 9.759 68.553 84.827 1.00 0.00 C ATOM 33 CD PRO A 2 9.364 68.138 83.397 1.00 0.00 C ATOM 0 HA PRO A 2 11.923 66.095 84.027 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.931 67.399 86.267 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.907 68.234 85.075 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.932 68.394 85.519 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.010 69.613 84.868 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.290 67.972 83.313 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.625 68.909 82.672 1.00 0.00 H new ATOM 41 N CYS A 3 11.016 64.483 85.737 1.00 0.00 N ATOM 42 CA CYS A 3 10.415 63.331 86.467 1.00 0.00 C ATOM 43 C CYS A 3 9.400 63.863 87.478 1.00 0.00 C ATOM 44 O CYS A 3 9.428 65.021 87.841 1.00 0.00 O ATOM 45 CB CYS A 3 11.514 62.558 87.203 1.00 0.00 C ATOM 46 SG CYS A 3 11.853 61.008 86.332 1.00 0.00 S ATOM 0 H CYS A 3 12.026 64.584 85.840 1.00 0.00 H new ATOM 0 HA CYS A 3 9.921 62.664 85.761 1.00 0.00 H new ATOM 0 HB2 CYS A 3 12.421 63.161 87.260 1.00 0.00 H new ATOM 0 HB3 CYS A 3 11.204 62.351 88.227 1.00 0.00 H new ATOM 51 N GLN A 4 8.501 63.035 87.936 1.00 0.00 N ATOM 52 CA GLN A 4 7.493 63.518 88.919 1.00 0.00 C ATOM 53 C GLN A 4 6.836 62.330 89.624 1.00 0.00 C ATOM 54 O GLN A 4 6.155 61.529 89.015 1.00 0.00 O ATOM 55 CB GLN A 4 6.422 64.330 88.190 1.00 0.00 C ATOM 56 CG GLN A 4 5.940 63.552 86.963 1.00 0.00 C ATOM 57 CD GLN A 4 4.425 63.360 87.043 1.00 0.00 C ATOM 58 OE1 GLN A 4 3.949 62.257 87.222 1.00 0.00 O ATOM 59 NE2 GLN A 4 3.642 64.396 86.916 1.00 0.00 N ATOM 0 H GLN A 4 8.422 62.052 87.674 1.00 0.00 H new ATOM 0 HA GLN A 4 7.990 64.143 89.661 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.585 64.531 88.858 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.826 65.296 87.886 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.201 64.091 86.052 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.438 62.584 86.915 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.042 65.322 86.766 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.630 64.280 86.967 1.00 0.00 H new ATOM 68 N CYS A 5 7.028 62.221 90.909 1.00 0.00 N ATOM 69 CA CYS A 5 6.411 61.098 91.669 1.00 0.00 C ATOM 70 C CYS A 5 6.320 61.497 93.144 1.00 0.00 C ATOM 71 O CYS A 5 6.790 62.545 93.539 1.00 0.00 O ATOM 72 CB CYS A 5 7.269 59.828 91.509 1.00 0.00 C ATOM 73 SG CYS A 5 8.627 59.813 92.718 1.00 0.00 S ATOM 0 H CYS A 5 7.588 62.864 91.468 1.00 0.00 H new ATOM 0 HA CYS A 5 5.412 60.889 91.286 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.646 58.943 91.643 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.675 59.782 90.498 1.00 0.00 H new ATOM 78 N ASN A 6 5.740 60.670 93.966 1.00 0.00 N ATOM 79 CA ASN A 6 5.657 61.021 95.407 1.00 0.00 C ATOM 80 C ASN A 6 7.060 61.393 95.887 1.00 0.00 C ATOM 81 O ASN A 6 8.044 61.036 95.271 1.00 0.00 O ATOM 82 CB ASN A 6 5.139 59.820 96.200 1.00 0.00 C ATOM 83 CG ASN A 6 3.759 59.420 95.672 1.00 0.00 C ATOM 84 OD1 ASN A 6 3.620 58.412 95.007 1.00 0.00 O ATOM 85 ND2 ASN A 6 2.727 60.172 95.940 1.00 0.00 N ATOM 0 H ASN A 6 5.324 59.776 93.705 1.00 0.00 H new ATOM 0 HA ASN A 6 4.974 61.858 95.555 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.832 58.984 96.109 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.077 60.069 97.259 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.804 59.914 95.592 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.843 61.018 96.498 1.00 0.00 H new ATOM 92 N ASP A 7 7.170 62.111 96.968 1.00 0.00 N ATOM 93 CA ASP A 7 8.522 62.497 97.460 1.00 0.00 C ATOM 94 C ASP A 7 9.151 61.317 98.204 1.00 0.00 C ATOM 95 O ASP A 7 9.215 61.300 99.417 1.00 0.00 O ATOM 96 CB ASP A 7 8.400 63.696 98.405 1.00 0.00 C ATOM 97 CG ASP A 7 8.929 64.951 97.708 1.00 0.00 C ATOM 98 OD1 ASP A 7 8.571 65.163 96.561 1.00 0.00 O ATOM 99 OD2 ASP A 7 9.684 65.677 98.333 1.00 0.00 O ATOM 0 H ASP A 7 6.388 62.446 97.530 1.00 0.00 H new ATOM 0 HA ASP A 7 9.153 62.768 96.614 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.359 63.840 98.695 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.963 63.510 99.320 1.00 0.00 H new ATOM 104 N ASN A 8 9.614 60.324 97.490 1.00 0.00 N ATOM 105 CA ASN A 8 10.231 59.152 98.169 1.00 0.00 C ATOM 106 C ASN A 8 11.387 58.603 97.331 1.00 0.00 C ATOM 107 O ASN A 8 11.337 57.490 96.838 1.00 0.00 O ATOM 108 CB ASN A 8 9.173 58.063 98.361 1.00 0.00 C ATOM 109 CG ASN A 8 7.927 58.675 99.004 1.00 0.00 C ATOM 110 OD1 ASN A 8 7.998 59.232 100.082 1.00 0.00 O ATOM 111 ND2 ASN A 8 6.782 58.596 98.385 1.00 0.00 N ATOM 0 H ASN A 8 9.591 60.276 96.471 1.00 0.00 H new ATOM 0 HA ASN A 8 10.618 59.465 99.139 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.918 57.615 97.401 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.566 57.265 98.991 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.946 59.002 98.805 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.722 58.129 97.480 1.00 0.00 H new ATOM 118 N ILE A 9 12.446 59.361 97.199 1.00 0.00 N ATOM 119 CA ILE A 9 13.624 58.885 96.417 1.00 0.00 C ATOM 120 C ILE A 9 14.895 59.508 97.008 1.00 0.00 C ATOM 121 O ILE A 9 14.831 60.297 97.930 1.00 0.00 O ATOM 122 CB ILE A 9 13.472 59.310 94.956 1.00 0.00 C ATOM 123 CG1 ILE A 9 13.295 60.828 94.883 1.00 0.00 C ATOM 124 CG2 ILE A 9 12.245 58.623 94.354 1.00 0.00 C ATOM 125 CD1 ILE A 9 14.071 61.376 93.684 1.00 0.00 C ATOM 0 H ILE A 9 12.544 60.293 97.602 1.00 0.00 H new ATOM 0 HA ILE A 9 13.689 57.798 96.467 1.00 0.00 H new ATOM 0 HB ILE A 9 14.362 59.022 94.397 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.238 61.077 94.790 1.00 0.00 H new ATOM 0 HG13 ILE A 9 13.652 61.291 95.803 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.134 58.924 93.312 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.371 57.542 94.408 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.355 58.913 94.912 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.945 62.457 93.632 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.129 61.139 93.796 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.693 60.922 92.768 1.00 0.00 H new ATOM 137 N ASP A 10 16.048 59.166 96.498 1.00 0.00 N ATOM 138 CA ASP A 10 17.303 59.752 97.057 1.00 0.00 C ATOM 139 C ASP A 10 17.861 60.784 96.070 1.00 0.00 C ATOM 140 O ASP A 10 17.703 60.641 94.878 1.00 0.00 O ATOM 141 CB ASP A 10 18.339 58.645 97.267 1.00 0.00 C ATOM 142 CG ASP A 10 17.637 57.357 97.699 1.00 0.00 C ATOM 143 OD1 ASP A 10 16.771 56.905 96.970 1.00 0.00 O ATOM 144 OD2 ASP A 10 17.977 56.847 98.754 1.00 0.00 O ATOM 0 H ASP A 10 16.176 58.512 95.726 1.00 0.00 H new ATOM 0 HA ASP A 10 17.086 60.231 98.011 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.896 58.475 96.346 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.061 58.949 98.025 1.00 0.00 H new ATOM 149 N PRO A 11 18.488 61.807 96.598 1.00 0.00 N ATOM 150 CA PRO A 11 19.068 62.890 95.778 1.00 0.00 C ATOM 151 C PRO A 11 20.388 62.451 95.133 1.00 0.00 C ATOM 152 O PRO A 11 20.674 62.784 94.000 1.00 0.00 O ATOM 153 CB PRO A 11 19.313 64.012 96.790 1.00 0.00 C ATOM 154 CG PRO A 11 19.403 63.335 98.178 1.00 0.00 C ATOM 155 CD PRO A 11 18.677 61.983 98.053 1.00 0.00 C ATOM 0 HA PRO A 11 18.418 63.186 94.955 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.233 64.549 96.559 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.503 64.741 96.765 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.442 63.191 98.473 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.938 63.956 98.943 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.268 61.172 98.479 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.723 61.993 98.580 1.00 0.00 H new ATOM 163 N ASN A 12 21.208 61.736 95.854 1.00 0.00 N ATOM 164 CA ASN A 12 22.524 61.313 95.288 1.00 0.00 C ATOM 165 C ASN A 12 22.376 60.112 94.329 1.00 0.00 C ATOM 166 O ASN A 12 23.338 59.710 93.706 1.00 0.00 O ATOM 167 CB ASN A 12 23.452 60.929 96.440 1.00 0.00 C ATOM 168 CG ASN A 12 23.212 61.875 97.618 1.00 0.00 C ATOM 169 OD1 ASN A 12 23.407 61.507 98.759 1.00 0.00 O ATOM 170 ND2 ASN A 12 22.791 63.091 97.387 1.00 0.00 N ATOM 0 H ASN A 12 21.026 61.426 96.809 1.00 0.00 H new ATOM 0 HA ASN A 12 22.936 62.145 94.717 1.00 0.00 H new ATOM 0 HB2 ASN A 12 23.268 59.898 96.743 1.00 0.00 H new ATOM 0 HB3 ASN A 12 24.492 60.986 96.119 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.626 63.730 98.165 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.627 63.401 96.429 1.00 0.00 H new ATOM 177 N ALA A 13 21.205 59.528 94.180 1.00 0.00 N ATOM 178 CA ALA A 13 21.090 58.376 93.240 1.00 0.00 C ATOM 179 C ALA A 13 21.400 58.858 91.820 1.00 0.00 C ATOM 180 O ALA A 13 21.890 59.952 91.624 1.00 0.00 O ATOM 181 CB ALA A 13 19.672 57.802 93.293 1.00 0.00 C ATOM 0 H ALA A 13 20.346 59.796 94.660 1.00 0.00 H new ATOM 0 HA ALA A 13 21.797 57.598 93.527 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.594 56.961 92.604 1.00 0.00 H new ATOM 0 HB2 ALA A 13 19.454 57.463 94.306 1.00 0.00 H new ATOM 0 HB3 ALA A 13 18.957 58.573 93.007 1.00 0.00 H new ATOM 187 N VAL A 14 21.132 58.054 90.827 1.00 0.00 N ATOM 188 CA VAL A 14 21.429 58.482 89.427 1.00 0.00 C ATOM 189 C VAL A 14 20.134 58.842 88.695 1.00 0.00 C ATOM 190 O VAL A 14 19.603 58.055 87.937 1.00 0.00 O ATOM 191 CB VAL A 14 22.125 57.341 88.687 1.00 0.00 C ATOM 192 CG1 VAL A 14 22.548 57.820 87.297 1.00 0.00 C ATOM 193 CG2 VAL A 14 23.362 56.903 89.474 1.00 0.00 C ATOM 0 H VAL A 14 20.723 57.125 90.922 1.00 0.00 H new ATOM 0 HA VAL A 14 22.076 59.359 89.455 1.00 0.00 H new ATOM 0 HB VAL A 14 21.440 56.499 88.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.045 57.007 86.768 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.667 58.133 86.736 1.00 0.00 H new ATOM 0 HG13 VAL A 14 23.234 58.662 87.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 23.859 56.089 88.947 1.00 0.00 H new ATOM 0 HG22 VAL A 14 24.048 57.744 89.572 1.00 0.00 H new ATOM 0 HG23 VAL A 14 23.061 56.563 90.465 1.00 0.00 H new ATOM 203 N GLY A 15 19.621 60.028 88.905 1.00 0.00 N ATOM 204 CA GLY A 15 18.365 60.430 88.206 1.00 0.00 C ATOM 205 C GLY A 15 17.141 59.890 88.960 1.00 0.00 C ATOM 206 O GLY A 15 16.050 60.411 88.835 1.00 0.00 O ATOM 0 H GLY A 15 20.017 60.732 89.528 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.309 61.517 88.139 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.370 60.048 87.185 1.00 0.00 H new ATOM 210 N ASN A 16 17.305 58.852 89.743 1.00 0.00 N ATOM 211 CA ASN A 16 16.149 58.288 90.497 1.00 0.00 C ATOM 212 C ASN A 16 14.997 57.942 89.542 1.00 0.00 C ATOM 213 O ASN A 16 13.879 57.732 89.968 1.00 0.00 O ATOM 214 CB ASN A 16 15.658 59.309 91.525 1.00 0.00 C ATOM 215 CG ASN A 16 16.759 59.565 92.553 1.00 0.00 C ATOM 216 OD1 ASN A 16 16.774 58.960 93.612 1.00 0.00 O ATOM 217 ND2 ASN A 16 17.685 60.447 92.283 1.00 0.00 N ATOM 0 H ASN A 16 18.193 58.372 89.891 1.00 0.00 H new ATOM 0 HA ASN A 16 16.477 57.379 91.002 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.386 60.240 91.028 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.761 58.939 92.021 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.425 60.632 92.960 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.667 60.950 91.396 1.00 0.00 H new ATOM 224 N CYS A 17 15.251 57.873 88.262 1.00 0.00 N ATOM 225 CA CYS A 17 14.157 57.534 87.309 1.00 0.00 C ATOM 226 C CYS A 17 14.583 56.347 86.444 1.00 0.00 C ATOM 227 O CYS A 17 15.755 56.058 86.308 1.00 0.00 O ATOM 228 CB CYS A 17 13.863 58.743 86.418 1.00 0.00 C ATOM 229 SG CYS A 17 13.293 60.122 87.441 1.00 0.00 S ATOM 0 H CYS A 17 16.164 58.036 87.838 1.00 0.00 H new ATOM 0 HA CYS A 17 13.258 57.270 87.866 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.760 59.030 85.869 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.104 58.487 85.678 1.00 0.00 H new ATOM 234 N ASN A 18 13.643 55.660 85.850 1.00 0.00 N ATOM 235 CA ASN A 18 14.018 54.498 84.992 1.00 0.00 C ATOM 236 C ASN A 18 14.637 55.048 83.704 1.00 0.00 C ATOM 237 O ASN A 18 14.016 55.799 82.978 1.00 0.00 O ATOM 238 CB ASN A 18 12.794 53.630 84.634 1.00 0.00 C ATOM 239 CG ASN A 18 11.610 53.895 85.579 1.00 0.00 C ATOM 240 OD1 ASN A 18 11.015 54.954 85.546 1.00 0.00 O ATOM 241 ND2 ASN A 18 11.210 52.957 86.398 1.00 0.00 N ATOM 0 H ASN A 18 12.643 55.850 85.920 1.00 0.00 H new ATOM 0 HA ASN A 18 14.720 53.868 85.538 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.492 53.834 83.607 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.069 52.576 84.682 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.404 53.117 87.003 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.704 52.065 86.432 1.00 0.00 H new ATOM 248 N ARG A 19 15.862 54.700 83.429 1.00 0.00 N ATOM 249 CA ARG A 19 16.533 55.223 82.204 1.00 0.00 C ATOM 250 C ARG A 19 15.833 54.716 80.940 1.00 0.00 C ATOM 251 O ARG A 19 15.997 55.275 79.874 1.00 0.00 O ATOM 252 CB ARG A 19 17.991 54.765 82.190 1.00 0.00 C ATOM 253 CG ARG A 19 18.908 55.987 82.276 1.00 0.00 C ATOM 254 CD ARG A 19 20.343 55.534 82.555 1.00 0.00 C ATOM 255 NE ARG A 19 20.985 55.102 81.281 1.00 0.00 N ATOM 256 CZ ARG A 19 21.817 54.095 81.278 1.00 0.00 C ATOM 257 NH1 ARG A 19 22.994 54.220 81.829 1.00 0.00 N ATOM 258 NH2 ARG A 19 21.473 52.965 80.726 1.00 0.00 N ATOM 0 H ARG A 19 16.430 54.074 84.000 1.00 0.00 H new ATOM 0 HA ARG A 19 16.481 56.312 82.219 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.181 54.094 83.028 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.199 54.204 81.279 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.869 56.550 81.344 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.567 56.655 83.067 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.912 56.348 83.003 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.343 54.713 83.272 1.00 0.00 H new ATOM 0 HE ARG A 19 20.775 55.593 80.412 1.00 0.00 H new ATOM 0 HH11 ARG A 19 23.263 55.104 82.262 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.644 53.434 81.827 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.553 52.867 80.296 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.124 52.179 80.724 1.00 0.00 H new ATOM 272 N LEU A 20 15.071 53.659 81.030 1.00 0.00 N ATOM 273 CA LEU A 20 14.399 53.145 79.800 1.00 0.00 C ATOM 274 C LEU A 20 12.948 53.646 79.718 1.00 0.00 C ATOM 275 O LEU A 20 12.479 54.016 78.659 1.00 0.00 O ATOM 276 CB LEU A 20 14.427 51.609 79.785 1.00 0.00 C ATOM 277 CG LEU A 20 13.914 51.043 81.112 1.00 0.00 C ATOM 278 CD1 LEU A 20 13.249 49.689 80.859 1.00 0.00 C ATOM 279 CD2 LEU A 20 15.085 50.857 82.080 1.00 0.00 C ATOM 0 H LEU A 20 14.886 53.136 81.886 1.00 0.00 H new ATOM 0 HA LEU A 20 14.941 53.521 78.932 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.813 51.238 78.964 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.444 51.261 79.605 1.00 0.00 H new ATOM 0 HG LEU A 20 13.192 51.735 81.546 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.882 49.282 81.801 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.415 49.817 80.169 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.976 49.002 80.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.717 50.454 83.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.808 50.165 81.648 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.565 51.819 82.259 1.00 0.00 H new ATOM 291 N THR A 21 12.229 53.665 80.809 1.00 0.00 N ATOM 292 CA THR A 21 10.818 54.145 80.757 1.00 0.00 C ATOM 293 C THR A 21 10.766 55.644 81.057 1.00 0.00 C ATOM 294 O THR A 21 10.379 56.444 80.228 1.00 0.00 O ATOM 295 CB THR A 21 9.980 53.390 81.793 1.00 0.00 C ATOM 296 OG1 THR A 21 10.831 52.884 82.813 1.00 0.00 O ATOM 297 CG2 THR A 21 9.247 52.229 81.116 1.00 0.00 C ATOM 0 H THR A 21 12.556 53.370 81.729 1.00 0.00 H new ATOM 0 HA THR A 21 10.417 53.964 79.760 1.00 0.00 H new ATOM 0 HB THR A 21 9.250 54.070 82.232 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.295 52.402 83.477 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.652 51.694 81.856 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.593 52.617 80.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.974 51.548 80.674 1.00 0.00 H new ATOM 305 N GLY A 22 11.141 56.026 82.248 1.00 0.00 N ATOM 306 CA GLY A 22 11.102 57.471 82.622 1.00 0.00 C ATOM 307 C GLY A 22 10.103 57.663 83.775 1.00 0.00 C ATOM 308 O GLY A 22 8.982 58.074 83.562 1.00 0.00 O ATOM 0 H GLY A 22 11.474 55.399 82.980 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.094 57.809 82.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.807 58.074 81.764 1.00 0.00 H new ATOM 312 N GLU A 23 10.491 57.355 84.993 1.00 0.00 N ATOM 313 CA GLU A 23 9.552 57.504 86.143 1.00 0.00 C ATOM 314 C GLU A 23 10.298 57.116 87.426 1.00 0.00 C ATOM 315 O GLU A 23 11.296 56.424 87.376 1.00 0.00 O ATOM 316 CB GLU A 23 8.356 56.562 85.935 1.00 0.00 C ATOM 317 CG GLU A 23 7.043 57.356 85.974 1.00 0.00 C ATOM 318 CD GLU A 23 6.654 57.780 84.556 1.00 0.00 C ATOM 319 OE1 GLU A 23 6.904 57.015 83.640 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.113 58.863 84.412 1.00 0.00 O ATOM 0 H GLU A 23 11.419 57.007 85.235 1.00 0.00 H new ATOM 0 HA GLU A 23 9.193 58.531 86.217 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.450 56.048 84.978 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.349 55.795 86.709 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.252 56.747 86.412 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.157 58.235 86.608 1.00 0.00 H new ATOM 327 N CYS A 24 9.841 57.543 88.574 1.00 0.00 N ATOM 328 CA CYS A 24 10.558 57.175 89.828 1.00 0.00 C ATOM 329 C CYS A 24 10.840 55.672 89.807 1.00 0.00 C ATOM 330 O CYS A 24 9.942 54.859 89.722 1.00 0.00 O ATOM 331 CB CYS A 24 9.691 57.530 91.036 1.00 0.00 C ATOM 332 SG CYS A 24 10.224 59.132 91.687 1.00 0.00 S ATOM 0 H CYS A 24 9.012 58.124 88.696 1.00 0.00 H new ATOM 0 HA CYS A 24 11.498 57.723 89.898 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.641 57.571 90.748 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.781 56.762 91.804 1.00 0.00 H new ATOM 337 N LEU A 25 12.090 55.302 89.848 1.00 0.00 N ATOM 338 CA LEU A 25 12.451 53.858 89.790 1.00 0.00 C ATOM 339 C LEU A 25 13.339 53.483 90.984 1.00 0.00 C ATOM 340 O LEU A 25 14.133 52.568 90.914 1.00 0.00 O ATOM 341 CB LEU A 25 13.196 53.631 88.467 1.00 0.00 C ATOM 342 CG LEU A 25 13.426 52.155 88.162 1.00 0.00 C ATOM 343 CD1 LEU A 25 14.827 51.745 88.600 1.00 0.00 C ATOM 344 CD2 LEU A 25 12.380 51.280 88.859 1.00 0.00 C ATOM 0 H LEU A 25 12.881 55.942 89.920 1.00 0.00 H new ATOM 0 HA LEU A 25 11.560 53.232 89.839 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.627 54.081 87.653 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.157 54.143 88.505 1.00 0.00 H new ATOM 0 HG LEU A 25 13.329 52.009 87.086 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.983 50.689 88.379 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.565 52.341 88.063 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.936 51.911 89.672 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.568 50.232 88.624 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.442 51.427 89.937 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.384 51.557 88.512 1.00 0.00 H new ATOM 356 N LYS A 26 13.207 54.176 92.084 1.00 0.00 N ATOM 357 CA LYS A 26 14.045 53.846 93.278 1.00 0.00 C ATOM 358 C LYS A 26 13.399 54.422 94.546 1.00 0.00 C ATOM 359 O LYS A 26 13.967 55.270 95.204 1.00 0.00 O ATOM 360 CB LYS A 26 15.435 54.455 93.109 1.00 0.00 C ATOM 361 CG LYS A 26 16.252 53.605 92.134 1.00 0.00 C ATOM 362 CD LYS A 26 17.708 53.555 92.599 1.00 0.00 C ATOM 363 CE LYS A 26 18.532 52.722 91.617 1.00 0.00 C ATOM 364 NZ LYS A 26 19.933 53.228 91.594 1.00 0.00 N ATOM 0 H LYS A 26 12.559 54.953 92.209 1.00 0.00 H new ATOM 0 HA LYS A 26 14.122 52.763 93.369 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.353 55.476 92.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.940 54.507 94.073 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.841 52.597 92.081 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.194 54.026 91.130 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.114 54.564 92.665 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.767 53.122 93.597 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.517 51.673 91.911 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.096 52.779 90.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.495 52.663 90.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.938 54.224 91.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.345 53.151 92.546 1.00 0.00 H new ATOM 378 N CYS A 27 12.222 53.974 94.898 1.00 0.00 N ATOM 379 CA CYS A 27 11.558 54.502 96.123 1.00 0.00 C ATOM 380 C CYS A 27 12.485 54.327 97.329 1.00 0.00 C ATOM 381 O CYS A 27 13.294 53.421 97.372 1.00 0.00 O ATOM 382 CB CYS A 27 10.261 53.729 96.353 1.00 0.00 C ATOM 383 SG CYS A 27 9.269 53.775 94.842 1.00 0.00 S ATOM 0 H CYS A 27 11.693 53.265 94.389 1.00 0.00 H new ATOM 0 HA CYS A 27 11.338 55.562 95.997 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.482 52.697 96.627 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.704 54.167 97.182 1.00 0.00 H new ATOM 388 N ILE A 28 12.383 55.189 98.307 1.00 0.00 N ATOM 389 CA ILE A 28 13.278 55.059 99.501 1.00 0.00 C ATOM 390 C ILE A 28 12.494 54.662 100.762 1.00 0.00 C ATOM 391 O ILE A 28 12.729 53.622 101.337 1.00 0.00 O ATOM 392 CB ILE A 28 14.046 56.372 99.762 1.00 0.00 C ATOM 393 CG1 ILE A 28 13.432 57.557 99.027 1.00 0.00 C ATOM 394 CG2 ILE A 28 15.482 56.242 99.275 1.00 0.00 C ATOM 395 CD1 ILE A 28 12.406 58.255 99.901 1.00 0.00 C ATOM 0 H ILE A 28 11.727 55.970 98.334 1.00 0.00 H new ATOM 0 HA ILE A 28 13.991 54.265 99.276 1.00 0.00 H new ATOM 0 HB ILE A 28 13.998 56.547 100.837 1.00 0.00 H new ATOM 0 HG12 ILE A 28 14.215 58.261 98.743 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.961 57.216 98.105 1.00 0.00 H new ATOM 0 HG21 ILE A 28 16.016 57.173 99.463 1.00 0.00 H new ATOM 0 HG22 ILE A 28 15.974 55.428 99.807 1.00 0.00 H new ATOM 0 HG23 ILE A 28 15.486 56.032 98.205 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.979 59.098 99.358 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.614 57.554 100.163 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.887 58.615 100.810 1.00 0.00 H new ATOM 407 N TYR A 29 11.611 55.503 101.207 1.00 0.00 N ATOM 408 CA TYR A 29 10.827 55.235 102.462 1.00 0.00 C ATOM 409 C TYR A 29 9.999 53.946 102.379 1.00 0.00 C ATOM 410 O TYR A 29 8.804 53.986 102.174 1.00 0.00 O ATOM 411 CB TYR A 29 9.873 56.402 102.728 1.00 0.00 C ATOM 412 CG TYR A 29 10.664 57.619 103.129 1.00 0.00 C ATOM 413 CD1 TYR A 29 11.644 57.524 104.125 1.00 0.00 C ATOM 414 CD2 TYR A 29 10.424 58.843 102.497 1.00 0.00 C ATOM 415 CE1 TYR A 29 12.384 58.655 104.486 1.00 0.00 C ATOM 416 CE2 TYR A 29 11.165 59.973 102.855 1.00 0.00 C ATOM 417 CZ TYR A 29 12.146 59.880 103.849 1.00 0.00 C ATOM 418 OH TYR A 29 12.877 60.995 104.204 1.00 0.00 O ATOM 0 H TYR A 29 11.387 56.388 100.751 1.00 0.00 H new ATOM 0 HA TYR A 29 11.551 55.122 103.269 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.286 56.616 101.835 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.169 56.137 103.517 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.828 56.579 104.614 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.665 58.915 101.732 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.138 58.584 105.255 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.981 60.917 102.365 1.00 0.00 H new ATOM 0 HH TYR A 29 12.588 61.761 103.665 1.00 0.00 H new ATOM 428 N ASN A 30 10.632 52.822 102.590 1.00 0.00 N ATOM 429 CA ASN A 30 9.929 51.497 102.587 1.00 0.00 C ATOM 430 C ASN A 30 8.649 51.553 101.764 1.00 0.00 C ATOM 431 O ASN A 30 7.585 51.192 102.228 1.00 0.00 O ATOM 432 CB ASN A 30 9.573 51.114 104.025 1.00 0.00 C ATOM 433 CG ASN A 30 10.854 50.921 104.840 1.00 0.00 C ATOM 434 OD1 ASN A 30 11.923 51.313 104.415 1.00 0.00 O ATOM 435 ND2 ASN A 30 10.791 50.330 106.001 1.00 0.00 N ATOM 0 H ASN A 30 11.634 52.762 102.769 1.00 0.00 H new ATOM 0 HA ASN A 30 10.596 50.758 102.144 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.957 51.892 104.477 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.984 50.197 104.032 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.639 50.197 106.552 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.894 50.001 106.358 1.00 0.00 H new ATOM 442 N THR A 31 8.733 51.998 100.552 1.00 0.00 N ATOM 443 CA THR A 31 7.499 52.069 99.720 1.00 0.00 C ATOM 444 C THR A 31 7.671 51.233 98.456 1.00 0.00 C ATOM 445 O THR A 31 8.745 51.138 97.894 1.00 0.00 O ATOM 446 CB THR A 31 7.205 53.517 99.336 1.00 0.00 C ATOM 447 OG1 THR A 31 8.354 54.093 98.735 1.00 0.00 O ATOM 448 CG2 THR A 31 6.827 54.314 100.584 1.00 0.00 C ATOM 0 H THR A 31 9.590 52.314 100.098 1.00 0.00 H new ATOM 0 HA THR A 31 6.665 51.676 100.302 1.00 0.00 H new ATOM 0 HB THR A 31 6.376 53.540 98.628 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.346 55.063 98.876 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.618 55.347 100.306 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.941 53.875 101.042 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.653 54.290 101.295 1.00 0.00 H new ATOM 456 N ALA A 32 6.612 50.613 98.015 1.00 0.00 N ATOM 457 CA ALA A 32 6.697 49.767 96.797 1.00 0.00 C ATOM 458 C ALA A 32 5.825 50.369 95.693 1.00 0.00 C ATOM 459 O ALA A 32 5.342 51.479 95.804 1.00 0.00 O ATOM 460 CB ALA A 32 6.209 48.356 97.129 1.00 0.00 C ATOM 0 H ALA A 32 5.690 50.657 98.448 1.00 0.00 H new ATOM 0 HA ALA A 32 7.730 49.723 96.452 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.269 47.731 96.238 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.834 47.930 97.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.175 48.400 97.472 1.00 0.00 H new ATOM 466 N GLY A 33 5.624 49.646 94.626 1.00 0.00 N ATOM 467 CA GLY A 33 4.790 50.176 93.512 1.00 0.00 C ATOM 468 C GLY A 33 5.689 50.885 92.502 1.00 0.00 C ATOM 469 O GLY A 33 6.704 51.456 92.848 1.00 0.00 O ATOM 0 H GLY A 33 6.002 48.710 94.478 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.250 49.362 93.027 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.042 50.868 93.900 1.00 0.00 H new ATOM 473 N PHE A 34 5.325 50.846 91.252 1.00 0.00 N ATOM 474 CA PHE A 34 6.162 51.508 90.213 1.00 0.00 C ATOM 475 C PHE A 34 6.428 52.969 90.611 1.00 0.00 C ATOM 476 O PHE A 34 7.428 53.545 90.233 1.00 0.00 O ATOM 477 CB PHE A 34 5.429 51.459 88.860 1.00 0.00 C ATOM 478 CG PHE A 34 6.375 51.771 87.711 1.00 0.00 C ATOM 479 CD1 PHE A 34 7.734 51.432 87.790 1.00 0.00 C ATOM 480 CD2 PHE A 34 5.884 52.398 86.553 1.00 0.00 C ATOM 481 CE1 PHE A 34 8.593 51.718 86.722 1.00 0.00 C ATOM 482 CE2 PHE A 34 6.748 52.683 85.488 1.00 0.00 C ATOM 483 CZ PHE A 34 8.101 52.343 85.573 1.00 0.00 C ATOM 0 H PHE A 34 4.484 50.385 90.904 1.00 0.00 H new ATOM 0 HA PHE A 34 7.115 50.986 90.127 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.991 50.471 88.716 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.607 52.175 88.862 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.118 50.949 88.676 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.839 52.661 86.484 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.638 51.455 86.786 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.368 53.166 84.600 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.766 52.563 84.751 1.00 0.00 H new ATOM 493 N TYR A 35 5.548 53.578 91.372 1.00 0.00 N ATOM 494 CA TYR A 35 5.776 54.996 91.778 1.00 0.00 C ATOM 495 C TYR A 35 5.684 55.121 93.301 1.00 0.00 C ATOM 496 O TYR A 35 5.168 56.091 93.820 1.00 0.00 O ATOM 497 CB TYR A 35 4.714 55.898 91.146 1.00 0.00 C ATOM 498 CG TYR A 35 4.258 55.314 89.830 1.00 0.00 C ATOM 499 CD1 TYR A 35 4.984 55.569 88.662 1.00 0.00 C ATOM 500 CD2 TYR A 35 3.105 54.524 89.781 1.00 0.00 C ATOM 501 CE1 TYR A 35 4.557 55.032 87.442 1.00 0.00 C ATOM 502 CE2 TYR A 35 2.677 53.987 88.563 1.00 0.00 C ATOM 503 CZ TYR A 35 3.403 54.241 87.392 1.00 0.00 C ATOM 504 OH TYR A 35 2.981 53.712 86.190 1.00 0.00 O ATOM 0 H TYR A 35 4.689 53.156 91.725 1.00 0.00 H new ATOM 0 HA TYR A 35 6.766 55.301 91.440 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.865 56.002 91.821 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.120 56.897 90.989 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.874 56.180 88.701 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.545 54.329 90.684 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.117 55.228 86.540 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.787 53.377 88.525 1.00 0.00 H new ATOM 0 HH TYR A 35 2.165 53.187 86.332 1.00 0.00 H new ATOM 514 N CYS A 36 6.174 54.154 94.026 1.00 0.00 N ATOM 515 CA CYS A 36 6.100 54.238 95.515 1.00 0.00 C ATOM 516 C CYS A 36 4.653 54.522 95.916 1.00 0.00 C ATOM 517 O CYS A 36 4.368 55.467 96.625 1.00 0.00 O ATOM 518 CB CYS A 36 7.003 55.374 96.022 1.00 0.00 C ATOM 519 SG CYS A 36 8.403 55.597 94.894 1.00 0.00 S ATOM 0 H CYS A 36 6.620 53.314 93.657 1.00 0.00 H new ATOM 0 HA CYS A 36 6.435 53.298 95.953 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.432 56.300 96.095 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.365 55.143 97.024 1.00 0.00 H new ATOM 524 N ASP A 37 3.736 53.719 95.451 1.00 0.00 N ATOM 525 CA ASP A 37 2.302 53.947 95.785 1.00 0.00 C ATOM 526 C ASP A 37 1.877 53.050 96.951 1.00 0.00 C ATOM 527 O ASP A 37 0.780 53.167 97.460 1.00 0.00 O ATOM 528 CB ASP A 37 1.443 53.615 94.562 1.00 0.00 C ATOM 529 CG ASP A 37 1.585 54.724 93.519 1.00 0.00 C ATOM 530 OD1 ASP A 37 2.206 55.726 93.829 1.00 0.00 O ATOM 531 OD2 ASP A 37 1.070 54.550 92.426 1.00 0.00 O ATOM 0 H ASP A 37 3.918 52.913 94.853 1.00 0.00 H new ATOM 0 HA ASP A 37 2.167 54.990 96.071 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.752 52.660 94.137 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.399 53.510 94.856 1.00 0.00 H new ATOM 536 N ARG A 38 2.719 52.147 97.376 1.00 0.00 N ATOM 537 CA ARG A 38 2.331 51.254 98.494 1.00 0.00 C ATOM 538 C ARG A 38 3.442 51.230 99.543 1.00 0.00 C ATOM 539 O ARG A 38 4.424 51.940 99.452 1.00 0.00 O ATOM 540 CB ARG A 38 2.105 49.842 97.948 1.00 0.00 C ATOM 541 CG ARG A 38 0.607 49.609 97.745 1.00 0.00 C ATOM 542 CD ARG A 38 0.373 48.944 96.387 1.00 0.00 C ATOM 543 NE ARG A 38 -0.450 47.716 96.571 1.00 0.00 N ATOM 544 CZ ARG A 38 -1.137 47.235 95.570 1.00 0.00 C ATOM 545 NH1 ARG A 38 -0.537 46.933 94.452 1.00 0.00 N ATOM 546 NH2 ARG A 38 -2.426 47.061 95.687 1.00 0.00 N ATOM 0 H ARG A 38 3.653 51.993 96.997 1.00 0.00 H new ATOM 0 HA ARG A 38 1.414 51.620 98.957 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.635 49.716 97.004 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.508 49.103 98.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.215 48.978 98.543 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.071 50.557 97.795 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.133 49.636 95.713 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.327 48.690 95.925 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.477 47.251 97.478 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.469 47.072 94.359 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.074 46.557 93.670 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.896 47.301 96.560 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.963 46.685 94.905 1.00 0.00 H new ATOM 560 N CYS A 39 3.287 50.405 100.534 1.00 0.00 N ATOM 561 CA CYS A 39 4.318 50.297 101.603 1.00 0.00 C ATOM 562 C CYS A 39 4.802 48.841 101.665 1.00 0.00 C ATOM 563 O CYS A 39 4.009 47.923 101.609 1.00 0.00 O ATOM 564 CB CYS A 39 3.691 50.685 102.955 1.00 0.00 C ATOM 565 SG CYS A 39 2.509 52.036 102.725 1.00 0.00 S ATOM 0 H CYS A 39 2.481 49.792 100.653 1.00 0.00 H new ATOM 0 HA CYS A 39 5.155 50.962 101.389 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.189 49.822 103.393 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.471 50.988 103.653 1.00 0.00 H new ATOM 570 N LYS A 40 6.088 48.608 101.776 1.00 0.00 N ATOM 571 CA LYS A 40 6.572 47.202 101.831 1.00 0.00 C ATOM 572 C LYS A 40 5.872 46.479 102.990 1.00 0.00 C ATOM 573 O LYS A 40 5.511 47.079 103.983 1.00 0.00 O ATOM 574 CB LYS A 40 8.092 47.215 102.055 1.00 0.00 C ATOM 575 CG LYS A 40 8.560 45.901 102.691 1.00 0.00 C ATOM 576 CD LYS A 40 10.043 46.015 103.049 1.00 0.00 C ATOM 577 CE LYS A 40 10.730 44.670 102.819 1.00 0.00 C ATOM 578 NZ LYS A 40 10.217 43.677 103.805 1.00 0.00 N ATOM 0 H LYS A 40 6.812 49.324 101.830 1.00 0.00 H new ATOM 0 HA LYS A 40 6.348 46.682 100.900 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.603 47.366 101.104 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.362 48.052 102.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.973 45.686 103.584 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.403 45.073 102.000 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.516 46.785 102.440 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.154 46.318 104.090 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.541 44.322 101.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.810 44.778 102.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.732 42.780 103.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.358 44.041 104.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.203 43.516 103.640 1.00 0.00 H new ATOM 592 N GLU A 41 5.672 45.195 102.860 1.00 0.00 N ATOM 593 CA GLU A 41 4.985 44.430 103.942 1.00 0.00 C ATOM 594 C GLU A 41 5.780 44.555 105.242 1.00 0.00 C ATOM 595 O GLU A 41 6.985 44.401 105.260 1.00 0.00 O ATOM 596 CB GLU A 41 4.894 42.955 103.547 1.00 0.00 C ATOM 597 CG GLU A 41 6.288 42.328 103.600 1.00 0.00 C ATOM 598 CD GLU A 41 6.307 41.057 102.748 1.00 0.00 C ATOM 599 OE1 GLU A 41 5.550 40.997 101.794 1.00 0.00 O ATOM 600 OE2 GLU A 41 7.078 40.167 103.065 1.00 0.00 O ATOM 0 H GLU A 41 5.955 44.642 102.051 1.00 0.00 H new ATOM 0 HA GLU A 41 3.983 44.833 104.087 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.220 42.427 104.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.479 42.861 102.544 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.031 43.036 103.233 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.554 42.092 104.630 1.00 0.00 H new ATOM 607 N GLY A 42 5.120 44.850 106.329 1.00 0.00 N ATOM 608 CA GLY A 42 5.840 45.006 107.619 1.00 0.00 C ATOM 609 C GLY A 42 5.532 46.397 108.125 1.00 0.00 C ATOM 610 O GLY A 42 5.342 46.623 109.303 1.00 0.00 O ATOM 0 H GLY A 42 4.111 44.989 106.376 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.515 44.253 108.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.913 44.873 107.481 1.00 0.00 H new ATOM 614 N PHE A 43 5.436 47.329 107.224 1.00 0.00 N ATOM 615 CA PHE A 43 5.089 48.701 107.627 1.00 0.00 C ATOM 616 C PHE A 43 3.862 49.147 106.855 1.00 0.00 C ATOM 617 O PHE A 43 3.788 49.053 105.645 1.00 0.00 O ATOM 618 CB PHE A 43 6.222 49.663 107.338 1.00 0.00 C ATOM 619 CG PHE A 43 7.549 48.971 107.537 1.00 0.00 C ATOM 620 CD1 PHE A 43 7.964 47.983 106.634 1.00 0.00 C ATOM 621 CD2 PHE A 43 8.365 49.315 108.621 1.00 0.00 C ATOM 622 CE1 PHE A 43 9.194 47.341 106.815 1.00 0.00 C ATOM 623 CE2 PHE A 43 9.596 48.673 108.801 1.00 0.00 C ATOM 624 CZ PHE A 43 10.011 47.685 107.899 1.00 0.00 C ATOM 0 H PHE A 43 5.585 47.192 106.224 1.00 0.00 H new ATOM 0 HA PHE A 43 4.896 48.704 108.700 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.145 50.032 106.315 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.152 50.529 107.996 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.334 47.717 105.798 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.045 50.075 109.318 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.513 46.580 106.118 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.226 48.940 109.636 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.960 47.189 108.039 1.00 0.00 H new ATOM 634 N PHE A 44 2.912 49.640 107.562 1.00 0.00 N ATOM 635 CA PHE A 44 1.655 50.125 106.921 1.00 0.00 C ATOM 636 C PHE A 44 1.565 51.642 107.100 1.00 0.00 C ATOM 637 O PHE A 44 2.367 52.239 107.788 1.00 0.00 O ATOM 638 CB PHE A 44 0.434 49.463 107.574 1.00 0.00 C ATOM 639 CG PHE A 44 0.831 48.160 108.230 1.00 0.00 C ATOM 640 CD1 PHE A 44 0.993 47.005 107.454 1.00 0.00 C ATOM 641 CD2 PHE A 44 1.033 48.107 109.614 1.00 0.00 C ATOM 642 CE1 PHE A 44 1.357 45.799 108.063 1.00 0.00 C ATOM 643 CE2 PHE A 44 1.397 46.900 110.223 1.00 0.00 C ATOM 644 CZ PHE A 44 1.559 45.746 109.448 1.00 0.00 C ATOM 0 H PHE A 44 2.939 49.736 108.577 1.00 0.00 H new ATOM 0 HA PHE A 44 1.668 49.869 105.862 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.001 50.134 108.316 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.334 49.280 106.823 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.837 47.045 106.386 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.908 48.997 110.212 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.482 44.909 107.465 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.553 46.859 111.291 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.840 44.815 109.918 1.00 0.00 H new ATOM 654 N GLY A 45 0.599 52.274 106.492 1.00 0.00 N ATOM 655 CA GLY A 45 0.476 53.753 106.642 1.00 0.00 C ATOM 656 C GLY A 45 0.228 54.396 105.281 1.00 0.00 C ATOM 657 O GLY A 45 -0.399 53.821 104.413 1.00 0.00 O ATOM 0 H GLY A 45 -0.107 51.834 105.901 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.343 53.991 107.321 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.385 54.159 107.085 1.00 0.00 H new ATOM 661 N ASN A 46 0.713 55.590 105.091 1.00 0.00 N ATOM 662 CA ASN A 46 0.504 56.282 103.786 1.00 0.00 C ATOM 663 C ASN A 46 1.856 56.485 103.091 1.00 0.00 C ATOM 664 O ASN A 46 2.639 57.312 103.506 1.00 0.00 O ATOM 665 CB ASN A 46 -0.146 57.646 104.038 1.00 0.00 C ATOM 666 CG ASN A 46 -1.662 57.474 104.167 1.00 0.00 C ATOM 667 OD1 ASN A 46 -2.295 56.895 103.307 1.00 0.00 O ATOM 668 ND2 ASN A 46 -2.273 57.956 105.214 1.00 0.00 N ATOM 0 H ASN A 46 1.246 56.118 105.782 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.143 55.677 103.151 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.259 58.091 104.947 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.085 58.327 103.219 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.283 57.847 105.311 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.741 58.442 105.936 1.00 0.00 H new ATOM 675 N PRO A 47 2.092 55.724 102.051 1.00 0.00 N ATOM 676 CA PRO A 47 3.348 55.806 101.286 1.00 0.00 C ATOM 677 C PRO A 47 3.303 57.003 100.331 1.00 0.00 C ATOM 678 O PRO A 47 4.303 57.404 99.771 1.00 0.00 O ATOM 679 CB PRO A 47 3.374 54.494 100.499 1.00 0.00 C ATOM 680 CG PRO A 47 1.905 54.022 100.397 1.00 0.00 C ATOM 681 CD PRO A 47 1.140 54.718 101.540 1.00 0.00 C ATOM 0 HA PRO A 47 4.228 55.940 101.915 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.805 54.643 99.509 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.988 53.749 101.005 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.479 54.286 99.429 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.839 52.938 100.490 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.223 55.184 101.180 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.854 54.009 102.317 1.00 0.00 H new ATOM 689 N LEU A 48 2.142 57.567 100.137 1.00 0.00 N ATOM 690 CA LEU A 48 2.020 58.731 99.214 1.00 0.00 C ATOM 691 C LEU A 48 1.729 60.001 100.016 1.00 0.00 C ATOM 692 O LEU A 48 0.952 60.840 99.604 1.00 0.00 O ATOM 693 CB LEU A 48 0.870 58.478 98.237 1.00 0.00 C ATOM 694 CG LEU A 48 -0.427 58.280 99.022 1.00 0.00 C ATOM 695 CD1 LEU A 48 -1.510 59.208 98.470 1.00 0.00 C ATOM 696 CD2 LEU A 48 -0.887 56.826 98.887 1.00 0.00 C ATOM 0 H LEU A 48 1.271 57.271 100.579 1.00 0.00 H new ATOM 0 HA LEU A 48 2.954 58.857 98.666 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.769 59.319 97.551 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.080 57.597 97.631 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.252 58.513 100.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.433 59.064 99.032 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.185 60.244 98.565 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.685 58.978 97.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.812 56.683 99.446 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.059 56.595 97.836 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.118 56.163 99.283 1.00 0.00 H new ATOM 708 N ALA A 49 2.344 60.154 101.156 1.00 0.00 N ATOM 709 CA ALA A 49 2.096 61.374 101.972 1.00 0.00 C ATOM 710 C ALA A 49 3.262 62.351 101.794 1.00 0.00 C ATOM 711 O ALA A 49 4.388 61.936 101.597 1.00 0.00 O ATOM 712 CB ALA A 49 1.978 60.983 103.448 1.00 0.00 C ATOM 0 H ALA A 49 3.006 59.489 101.556 1.00 0.00 H new ATOM 0 HA ALA A 49 1.171 61.849 101.646 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.796 61.875 104.047 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.150 60.286 103.575 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.904 60.509 103.774 1.00 0.00 H new ATOM 718 N PRO A 50 2.964 63.624 101.879 1.00 0.00 N ATOM 719 CA PRO A 50 3.979 64.682 101.741 1.00 0.00 C ATOM 720 C PRO A 50 4.821 64.765 103.015 1.00 0.00 C ATOM 721 O PRO A 50 5.944 65.228 103.002 1.00 0.00 O ATOM 722 CB PRO A 50 3.154 65.955 101.543 1.00 0.00 C ATOM 723 CG PRO A 50 1.754 65.659 102.130 1.00 0.00 C ATOM 724 CD PRO A 50 1.595 64.126 102.123 1.00 0.00 C ATOM 0 HA PRO A 50 4.676 64.509 100.921 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.617 66.802 102.050 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.086 66.214 100.486 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.666 66.054 103.142 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.975 66.133 101.534 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.200 63.762 103.071 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.906 63.800 101.344 1.00 0.00 H new ATOM 732 N ASN A 51 4.286 64.310 104.114 1.00 0.00 N ATOM 733 CA ASN A 51 5.051 64.351 105.388 1.00 0.00 C ATOM 734 C ASN A 51 5.647 62.962 105.655 1.00 0.00 C ATOM 735 O ASN A 51 4.971 61.965 105.498 1.00 0.00 O ATOM 736 CB ASN A 51 4.107 64.731 106.533 1.00 0.00 C ATOM 737 CG ASN A 51 3.748 66.215 106.426 1.00 0.00 C ATOM 738 OD1 ASN A 51 4.033 66.985 107.321 1.00 0.00 O ATOM 739 ND2 ASN A 51 3.129 66.650 105.363 1.00 0.00 N ATOM 0 H ASN A 51 3.350 63.911 104.183 1.00 0.00 H new ATOM 0 HA ASN A 51 5.851 65.088 105.319 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.203 64.123 106.491 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.582 64.529 107.493 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.884 67.637 105.283 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.890 66.003 104.612 1.00 0.00 H new ATOM 746 N PRO A 52 6.895 62.932 106.052 1.00 0.00 N ATOM 747 CA PRO A 52 7.594 61.669 106.346 1.00 0.00 C ATOM 748 C PRO A 52 7.119 61.095 107.688 1.00 0.00 C ATOM 749 O PRO A 52 7.272 59.919 107.954 1.00 0.00 O ATOM 750 CB PRO A 52 9.068 62.075 106.406 1.00 0.00 C ATOM 751 CG PRO A 52 9.090 63.594 106.697 1.00 0.00 C ATOM 752 CD PRO A 52 7.721 64.142 106.250 1.00 0.00 C ATOM 0 HA PRO A 52 7.408 60.892 105.605 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.592 61.522 107.186 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.571 61.852 105.465 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.257 63.784 107.757 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.900 64.082 106.154 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.290 64.800 107.004 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.805 64.722 105.331 1.00 0.00 H new ATOM 760 N ALA A 53 6.537 61.909 108.532 1.00 0.00 N ATOM 761 CA ALA A 53 6.053 61.390 109.843 1.00 0.00 C ATOM 762 C ALA A 53 4.770 60.584 109.621 1.00 0.00 C ATOM 763 O ALA A 53 4.451 59.683 110.371 1.00 0.00 O ATOM 764 CB ALA A 53 5.766 62.560 110.786 1.00 0.00 C ATOM 0 H ALA A 53 6.378 62.903 108.370 1.00 0.00 H new ATOM 0 HA ALA A 53 6.816 60.751 110.287 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.412 62.177 111.743 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.679 63.136 110.940 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.002 63.202 110.347 1.00 0.00 H new ATOM 770 N ASP A 54 4.035 60.902 108.589 1.00 0.00 N ATOM 771 CA ASP A 54 2.772 60.158 108.306 1.00 0.00 C ATOM 772 C ASP A 54 2.990 59.237 107.104 1.00 0.00 C ATOM 773 O ASP A 54 2.121 59.073 106.270 1.00 0.00 O ATOM 774 CB ASP A 54 1.654 61.152 107.986 1.00 0.00 C ATOM 775 CG ASP A 54 0.924 61.530 109.276 1.00 0.00 C ATOM 776 OD1 ASP A 54 1.565 61.548 110.313 1.00 0.00 O ATOM 777 OD2 ASP A 54 -0.265 61.795 109.204 1.00 0.00 O ATOM 0 H ASP A 54 4.255 61.647 107.928 1.00 0.00 H new ATOM 0 HA ASP A 54 2.493 59.567 109.178 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.069 62.043 107.516 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.954 60.713 107.275 1.00 0.00 H new ATOM 782 N LYS A 55 4.145 58.640 107.003 1.00 0.00 N ATOM 783 CA LYS A 55 4.421 57.737 105.851 1.00 0.00 C ATOM 784 C LYS A 55 4.000 56.304 106.205 1.00 0.00 C ATOM 785 O LYS A 55 3.025 56.091 106.900 1.00 0.00 O ATOM 786 CB LYS A 55 5.918 57.779 105.538 1.00 0.00 C ATOM 787 CG LYS A 55 6.135 57.496 104.051 1.00 0.00 C ATOM 788 CD LYS A 55 7.035 58.579 103.452 1.00 0.00 C ATOM 789 CE LYS A 55 6.221 59.445 102.489 1.00 0.00 C ATOM 790 NZ LYS A 55 5.438 58.569 101.573 1.00 0.00 N ATOM 0 H LYS A 55 4.911 58.739 107.670 1.00 0.00 H new ATOM 0 HA LYS A 55 3.855 58.064 104.979 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.327 58.755 105.797 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.447 57.041 106.141 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.591 56.515 103.919 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.178 57.475 103.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.456 59.196 104.245 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.873 58.121 102.926 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.550 60.097 103.048 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.885 60.090 101.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.235 59.082 100.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.988 57.713 101.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.544 58.300 102.030 1.00 0.00 H new ATOM 804 N CYS A 56 4.719 55.320 105.727 1.00 0.00 N ATOM 805 CA CYS A 56 4.353 53.910 106.045 1.00 0.00 C ATOM 806 C CYS A 56 5.271 53.374 107.145 1.00 0.00 C ATOM 807 O CYS A 56 6.426 53.078 106.911 1.00 0.00 O ATOM 808 CB CYS A 56 4.501 53.035 104.800 1.00 0.00 C ATOM 809 SG CYS A 56 3.436 53.670 103.478 1.00 0.00 S ATOM 0 H CYS A 56 5.540 55.433 105.133 1.00 0.00 H new ATOM 0 HA CYS A 56 3.317 53.885 106.384 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.540 53.027 104.471 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.232 52.005 105.034 1.00 0.00 H new ATOM 814 N LYS A 57 4.769 53.238 108.340 1.00 0.00 N ATOM 815 CA LYS A 57 5.615 52.711 109.446 1.00 0.00 C ATOM 816 C LYS A 57 4.921 51.501 110.076 1.00 0.00 C ATOM 817 O LYS A 57 3.795 51.180 109.746 1.00 0.00 O ATOM 818 CB LYS A 57 5.816 53.802 110.502 1.00 0.00 C ATOM 819 CG LYS A 57 7.079 54.603 110.173 1.00 0.00 C ATOM 820 CD LYS A 57 8.316 53.753 110.470 1.00 0.00 C ATOM 821 CE LYS A 57 8.887 54.142 111.836 1.00 0.00 C ATOM 822 NZ LYS A 57 9.895 55.228 111.664 1.00 0.00 N ATOM 0 H LYS A 57 3.810 53.469 108.599 1.00 0.00 H new ATOM 0 HA LYS A 57 6.587 52.410 109.055 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.950 54.463 110.527 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.904 53.354 111.492 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.072 54.899 109.124 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.105 55.520 110.762 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.054 52.695 110.461 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.067 53.902 109.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.086 54.476 112.495 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.348 53.275 112.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.283 55.492 112.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.665 54.893 111.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.441 56.057 111.230 1.00 0.00 H new ATOM 836 N ALA A 58 5.580 50.822 110.975 1.00 0.00 N ATOM 837 CA ALA A 58 4.950 49.632 111.618 1.00 0.00 C ATOM 838 C ALA A 58 4.081 50.086 112.792 1.00 0.00 C ATOM 839 O ALA A 58 3.368 49.255 113.331 1.00 0.00 O ATOM 840 CB ALA A 58 6.040 48.687 112.126 1.00 0.00 C ATOM 841 OXT ALA A 58 4.145 51.255 113.133 1.00 0.00 O ATOM 0 H ALA A 58 6.525 51.038 111.292 1.00 0.00 H new ATOM 0 HA ALA A 58 4.331 49.111 110.887 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.579 47.818 112.595 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.658 48.362 111.289 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.661 49.207 112.856 1.00 0.00 H new TER 847 ALA A 58