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= -10.3! C(o=-14!,f=-23!) USER MOD Set 1.2: A 21 THR OG1 : rot -100:sc= -3.36! USER MOD Single : A 1 ARG N :NH3+ -175:sc= 0 (180deg=-0.016) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -2.18 K(o=-2.2,f=-3.2!) USER MOD Single : A 12 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 16 ASN : amide:sc= -10.7! C(o=-11!,f=-22!) 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 K(o=0,f=-1.5!) USER MOD Single : A 31 THR OG1 : rot -76:sc= -0.972 USER MOD Single : A 35 TYR OH : rot 50:sc= 0.0202 USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0891) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.303 K(o=-0.3,f=-0.99) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 0.0556 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.472 66.047 81.517 1.00 0.00 N ATOM 2 CA ARG A 1 9.915 64.626 81.594 1.00 0.00 C ATOM 3 C ARG A 1 9.240 63.947 82.791 1.00 0.00 C ATOM 4 O ARG A 1 9.128 64.538 83.848 1.00 0.00 O ATOM 5 CB ARG A 1 11.432 64.576 81.777 1.00 0.00 C ATOM 6 CG ARG A 1 12.117 65.030 80.486 1.00 0.00 C ATOM 7 CD ARG A 1 13.452 64.299 80.335 1.00 0.00 C ATOM 8 NE ARG A 1 13.270 63.118 79.446 1.00 0.00 N ATOM 9 CZ ARG A 1 14.029 62.067 79.596 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.147 61.512 80.771 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.664 61.569 78.572 1.00 0.00 N ATOM 0 H1 ARG A 1 9.861 66.486 80.658 1.00 0.00 H new ATOM 0 H2 ARG A 1 8.433 66.086 81.485 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.812 66.562 82.354 1.00 0.00 H new ATOM 0 HA ARG A 1 9.639 64.109 80.675 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.730 65.219 82.605 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.745 63.563 82.031 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.477 64.822 79.629 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.280 66.108 80.507 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.202 64.971 79.917 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.818 63.981 81.311 1.00 0.00 H new ATOM 0 HE ARG A 1 12.553 63.131 78.721 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.646 61.900 81.571 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.740 60.691 80.890 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.568 62.001 77.653 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.257 60.748 78.690 1.00 0.00 H new ATOM 27 N PRO A 2 8.817 62.721 82.600 1.00 0.00 N ATOM 28 CA PRO A 2 8.160 61.941 83.663 1.00 0.00 C ATOM 29 C PRO A 2 9.203 61.452 84.676 1.00 0.00 C ATOM 30 O PRO A 2 9.562 62.167 85.589 1.00 0.00 O ATOM 31 CB PRO A 2 7.517 60.772 82.909 1.00 0.00 C ATOM 32 CG PRO A 2 8.301 60.631 81.583 1.00 0.00 C ATOM 33 CD PRO A 2 8.954 62.000 81.317 1.00 0.00 C ATOM 0 HA PRO A 2 7.429 62.512 84.235 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.573 59.854 83.494 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.461 60.965 82.719 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.056 59.849 81.660 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.635 60.353 80.766 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.000 61.893 81.030 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.453 62.530 80.507 1.00 0.00 H new ATOM 41 N CYS A 3 9.696 60.246 84.512 1.00 0.00 N ATOM 42 CA CYS A 3 10.725 59.701 85.452 1.00 0.00 C ATOM 43 C CYS A 3 10.461 60.189 86.879 1.00 0.00 C ATOM 44 O CYS A 3 9.731 59.575 87.631 1.00 0.00 O ATOM 45 CB CYS A 3 12.115 60.157 85.004 1.00 0.00 C ATOM 46 SG CYS A 3 13.335 59.701 86.262 1.00 0.00 S ATOM 0 H CYS A 3 9.426 59.612 83.760 1.00 0.00 H new ATOM 0 HA CYS A 3 10.671 58.612 85.440 1.00 0.00 H new ATOM 0 HB2 CYS A 3 12.371 59.696 84.050 1.00 0.00 H new ATOM 0 HB3 CYS A 3 12.123 61.236 84.849 1.00 0.00 H new ATOM 51 N GLN A 4 11.058 61.291 87.257 1.00 0.00 N ATOM 52 CA GLN A 4 10.856 61.829 88.632 1.00 0.00 C ATOM 53 C GLN A 4 9.391 61.671 89.048 1.00 0.00 C ATOM 54 O GLN A 4 8.502 62.254 88.459 1.00 0.00 O ATOM 55 CB GLN A 4 11.231 63.312 88.654 1.00 0.00 C ATOM 56 CG GLN A 4 11.779 63.681 90.034 1.00 0.00 C ATOM 57 CD GLN A 4 12.535 65.008 89.946 1.00 0.00 C ATOM 58 OE1 GLN A 4 13.681 65.095 90.341 1.00 0.00 O ATOM 59 NE2 GLN A 4 11.938 66.053 89.442 1.00 0.00 N ATOM 0 H GLN A 4 11.680 61.843 86.667 1.00 0.00 H new ATOM 0 HA GLN A 4 11.486 61.276 89.329 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.977 63.520 87.887 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.358 63.922 88.423 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.962 63.763 90.751 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.443 62.896 90.395 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.976 65.980 89.110 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.433 66.943 89.380 1.00 0.00 H new ATOM 68 N CYS A 5 9.138 60.891 90.062 1.00 0.00 N ATOM 69 CA CYS A 5 7.736 60.696 90.526 1.00 0.00 C ATOM 70 C CYS A 5 7.565 61.371 91.891 1.00 0.00 C ATOM 71 O CYS A 5 8.141 62.408 92.152 1.00 0.00 O ATOM 72 CB CYS A 5 7.448 59.199 90.652 1.00 0.00 C ATOM 73 SG CYS A 5 8.398 58.516 92.033 1.00 0.00 S ATOM 0 H CYS A 5 9.844 60.379 90.591 1.00 0.00 H new ATOM 0 HA CYS A 5 7.042 61.137 89.810 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.383 59.035 90.813 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.713 58.688 89.726 1.00 0.00 H new ATOM 78 N ASN A 6 6.787 60.792 92.767 1.00 0.00 N ATOM 79 CA ASN A 6 6.599 61.408 94.110 1.00 0.00 C ATOM 80 C ASN A 6 7.970 61.684 94.730 1.00 0.00 C ATOM 81 O ASN A 6 8.993 61.481 94.107 1.00 0.00 O ATOM 82 CB ASN A 6 5.813 60.452 95.008 1.00 0.00 C ATOM 83 CG ASN A 6 4.326 60.805 94.952 1.00 0.00 C ATOM 84 OD1 ASN A 6 3.553 60.128 94.302 1.00 0.00 O ATOM 85 ND2 ASN A 6 3.889 61.844 95.610 1.00 0.00 N ATOM 0 H ASN A 6 6.276 59.923 92.610 1.00 0.00 H new ATOM 0 HA ASN A 6 6.046 62.342 94.011 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.966 59.423 94.683 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.175 60.519 96.034 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.899 62.088 95.579 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.537 62.412 96.155 1.00 0.00 H new ATOM 92 N ASP A 7 8.006 62.157 95.946 1.00 0.00 N ATOM 93 CA ASP A 7 9.325 62.453 96.580 1.00 0.00 C ATOM 94 C ASP A 7 9.831 61.237 97.371 1.00 0.00 C ATOM 95 O ASP A 7 9.868 61.253 98.586 1.00 0.00 O ATOM 96 CB ASP A 7 9.172 63.645 97.527 1.00 0.00 C ATOM 97 CG ASP A 7 9.745 64.901 96.866 1.00 0.00 C ATOM 98 OD1 ASP A 7 9.582 65.041 95.666 1.00 0.00 O ATOM 99 OD2 ASP A 7 10.337 65.700 97.572 1.00 0.00 O ATOM 0 H ASP A 7 7.188 62.350 96.524 1.00 0.00 H new ATOM 0 HA ASP A 7 10.047 62.686 95.797 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.120 63.797 97.770 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.690 63.446 98.465 1.00 0.00 H new ATOM 104 N ASN A 8 10.231 60.184 96.699 1.00 0.00 N ATOM 105 CA ASN A 8 10.742 58.987 97.435 1.00 0.00 C ATOM 106 C ASN A 8 11.874 58.329 96.635 1.00 0.00 C ATOM 107 O ASN A 8 11.765 57.196 96.208 1.00 0.00 O ATOM 108 CB ASN A 8 9.602 57.983 97.624 1.00 0.00 C ATOM 109 CG ASN A 8 8.455 58.655 98.382 1.00 0.00 C ATOM 110 OD1 ASN A 8 8.656 59.207 99.446 1.00 0.00 O ATOM 111 ND2 ASN A 8 7.253 58.632 97.876 1.00 0.00 N ATOM 0 H ASN A 8 10.226 60.102 95.682 1.00 0.00 H new ATOM 0 HA ASN A 8 11.123 59.298 98.408 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.253 57.626 96.655 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.957 57.112 98.176 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.482 59.077 98.373 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.084 58.169 96.983 1.00 0.00 H new ATOM 118 N ILE A 9 12.968 59.027 96.443 1.00 0.00 N ATOM 119 CA ILE A 9 14.107 58.448 95.676 1.00 0.00 C ATOM 120 C ILE A 9 15.418 59.044 96.196 1.00 0.00 C ATOM 121 O ILE A 9 15.458 60.165 96.663 1.00 0.00 O ATOM 122 CB ILE A 9 13.941 58.789 94.194 1.00 0.00 C ATOM 123 CG1 ILE A 9 13.651 60.283 94.047 1.00 0.00 C ATOM 124 CG2 ILE A 9 12.780 57.983 93.610 1.00 0.00 C ATOM 125 CD1 ILE A 9 14.553 60.872 92.961 1.00 0.00 C ATOM 0 H ILE A 9 13.118 59.975 96.787 1.00 0.00 H new ATOM 0 HA ILE A 9 14.125 57.365 95.800 1.00 0.00 H new ATOM 0 HB ILE A 9 14.858 58.541 93.659 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.603 60.437 93.788 1.00 0.00 H new ATOM 0 HG13 ILE A 9 13.824 60.793 94.995 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.663 58.227 92.554 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.987 56.918 93.716 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.862 58.229 94.143 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.347 61.937 92.855 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.597 60.730 93.239 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.358 60.369 92.014 1.00 0.00 H new ATOM 137 N ASP A 10 16.489 58.306 96.117 1.00 0.00 N ATOM 138 CA ASP A 10 17.796 58.834 96.607 1.00 0.00 C ATOM 139 C ASP A 10 18.705 59.134 95.403 1.00 0.00 C ATOM 140 O ASP A 10 19.013 58.248 94.632 1.00 0.00 O ATOM 141 CB ASP A 10 18.466 57.788 97.498 1.00 0.00 C ATOM 142 CG ASP A 10 18.227 58.145 98.966 1.00 0.00 C ATOM 143 OD1 ASP A 10 18.337 59.314 99.296 1.00 0.00 O ATOM 144 OD2 ASP A 10 17.935 57.244 99.734 1.00 0.00 O ATOM 0 H ASP A 10 16.518 57.361 95.735 1.00 0.00 H new ATOM 0 HA ASP A 10 17.630 59.747 97.179 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.063 56.798 97.282 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.535 57.749 97.291 1.00 0.00 H new ATOM 149 N PRO A 11 19.105 60.378 95.275 1.00 0.00 N ATOM 150 CA PRO A 11 19.972 60.824 94.165 1.00 0.00 C ATOM 151 C PRO A 11 21.411 60.356 94.371 1.00 0.00 C ATOM 152 O PRO A 11 22.269 60.563 93.536 1.00 0.00 O ATOM 153 CB PRO A 11 19.884 62.347 94.228 1.00 0.00 C ATOM 154 CG PRO A 11 19.441 62.702 95.665 1.00 0.00 C ATOM 155 CD PRO A 11 18.745 61.451 96.226 1.00 0.00 C ATOM 0 HA PRO A 11 19.663 60.420 93.201 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.847 62.801 93.996 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.169 62.725 93.497 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.299 62.978 96.279 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.763 63.556 95.663 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.090 61.222 97.234 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.665 61.588 96.282 1.00 0.00 H new ATOM 163 N ASN A 12 21.678 59.731 95.475 1.00 0.00 N ATOM 164 CA ASN A 12 23.063 59.250 95.739 1.00 0.00 C ATOM 165 C ASN A 12 23.316 57.962 94.949 1.00 0.00 C ATOM 166 O ASN A 12 24.104 57.939 94.025 1.00 0.00 O ATOM 167 CB ASN A 12 23.233 58.974 97.234 1.00 0.00 C ATOM 168 CG ASN A 12 24.698 59.179 97.628 1.00 0.00 C ATOM 169 OD1 ASN A 12 25.015 60.065 98.395 1.00 0.00 O ATOM 170 ND2 ASN A 12 25.611 58.390 97.130 1.00 0.00 N ATOM 0 H ASN A 12 21.000 59.530 96.210 1.00 0.00 H new ATOM 0 HA ASN A 12 23.777 60.013 95.428 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.593 59.640 97.813 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.923 57.955 97.464 1.00 0.00 H new ATOM 0 HD21 ASN A 12 26.590 58.518 97.385 1.00 0.00 H new ATOM 0 HD22 ASN A 12 25.345 57.645 96.486 1.00 0.00 H new ATOM 177 N ALA A 13 22.655 56.889 95.295 1.00 0.00 N ATOM 178 CA ALA A 13 22.865 55.616 94.552 1.00 0.00 C ATOM 179 C ALA A 13 22.457 55.808 93.088 1.00 0.00 C ATOM 180 O ALA A 13 22.022 56.870 92.690 1.00 0.00 O ATOM 181 CB ALA A 13 22.015 54.510 95.179 1.00 0.00 C ATOM 0 H ALA A 13 21.981 56.841 96.059 1.00 0.00 H new ATOM 0 HA ALA A 13 23.917 55.335 94.603 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.170 53.579 94.634 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.306 54.374 96.220 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.962 54.788 95.130 1.00 0.00 H new ATOM 187 N VAL A 14 22.592 54.789 92.284 1.00 0.00 N ATOM 188 CA VAL A 14 22.212 54.916 90.847 1.00 0.00 C ATOM 189 C VAL A 14 21.046 53.971 90.542 1.00 0.00 C ATOM 190 O VAL A 14 20.914 52.923 91.143 1.00 0.00 O ATOM 191 CB VAL A 14 23.412 54.549 89.970 1.00 0.00 C ATOM 192 CG1 VAL A 14 23.079 54.825 88.503 1.00 0.00 C ATOM 193 CG2 VAL A 14 24.620 55.391 90.384 1.00 0.00 C ATOM 0 H VAL A 14 22.949 53.874 92.559 1.00 0.00 H new ATOM 0 HA VAL A 14 21.910 55.942 90.639 1.00 0.00 H new ATOM 0 HB VAL A 14 23.643 53.491 90.096 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.934 54.563 87.880 1.00 0.00 H new ATOM 0 HG12 VAL A 14 22.218 54.226 88.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 22.847 55.882 88.375 1.00 0.00 H new ATOM 0 HG21 VAL A 14 25.476 55.131 89.761 1.00 0.00 H new ATOM 0 HG22 VAL A 14 24.387 56.448 90.258 1.00 0.00 H new ATOM 0 HG23 VAL A 14 24.860 55.194 91.429 1.00 0.00 H new ATOM 203 N GLY A 15 20.199 54.331 89.614 1.00 0.00 N ATOM 204 CA GLY A 15 19.045 53.446 89.281 1.00 0.00 C ATOM 205 C GLY A 15 17.742 54.093 89.770 1.00 0.00 C ATOM 206 O GLY A 15 16.662 53.662 89.418 1.00 0.00 O ATOM 0 H GLY A 15 20.256 55.195 89.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.999 53.281 88.205 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.176 52.470 89.748 1.00 0.00 H new ATOM 210 N ASN A 16 17.833 55.117 90.590 1.00 0.00 N ATOM 211 CA ASN A 16 16.601 55.784 91.111 1.00 0.00 C ATOM 212 C ASN A 16 15.528 55.855 90.020 1.00 0.00 C ATOM 213 O ASN A 16 14.347 55.857 90.302 1.00 0.00 O ATOM 214 CB ASN A 16 16.949 57.202 91.557 1.00 0.00 C ATOM 215 CG ASN A 16 17.251 57.208 93.052 1.00 0.00 C ATOM 216 OD1 ASN A 16 16.885 58.130 93.749 1.00 0.00 O ATOM 217 ND2 ASN A 16 17.910 56.211 93.578 1.00 0.00 N ATOM 0 H ASN A 16 18.711 55.518 90.919 1.00 0.00 H new ATOM 0 HA ASN A 16 16.216 55.206 91.951 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.811 57.568 91.000 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.120 57.876 91.340 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.118 56.207 94.577 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.217 55.436 92.990 1.00 0.00 H new ATOM 224 N CYS A 17 15.927 55.922 88.781 1.00 0.00 N ATOM 225 CA CYS A 17 14.927 55.998 87.676 1.00 0.00 C ATOM 226 C CYS A 17 15.179 54.846 86.697 1.00 0.00 C ATOM 227 O CYS A 17 16.279 54.336 86.608 1.00 0.00 O ATOM 228 CB CYS A 17 15.085 57.332 86.945 1.00 0.00 C ATOM 229 SG CYS A 17 13.567 57.707 86.032 1.00 0.00 S ATOM 0 H CYS A 17 16.903 55.928 88.484 1.00 0.00 H new ATOM 0 HA CYS A 17 13.918 55.923 88.081 1.00 0.00 H new ATOM 0 HB2 CYS A 17 15.297 58.127 87.660 1.00 0.00 H new ATOM 0 HB3 CYS A 17 15.931 57.285 86.260 1.00 0.00 H new ATOM 234 N ASN A 18 14.187 54.435 85.950 1.00 0.00 N ATOM 235 CA ASN A 18 14.420 53.326 84.977 1.00 0.00 C ATOM 236 C ASN A 18 15.071 53.929 83.728 1.00 0.00 C ATOM 237 O ASN A 18 14.514 54.797 83.087 1.00 0.00 O ATOM 238 CB ASN A 18 13.100 52.637 84.582 1.00 0.00 C ATOM 239 CG ASN A 18 12.142 52.527 85.771 1.00 0.00 C ATOM 240 OD1 ASN A 18 12.249 53.250 86.734 1.00 0.00 O ATOM 241 ND2 ASN A 18 11.196 51.629 85.739 1.00 0.00 N ATOM 0 H ASN A 18 13.240 54.812 85.970 1.00 0.00 H new ATOM 0 HA ASN A 18 15.062 52.574 85.436 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.622 53.199 83.780 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.311 51.642 84.192 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.551 51.539 86.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.101 51.017 84.929 1.00 0.00 H new ATOM 248 N ARG A 19 16.255 53.499 83.395 1.00 0.00 N ATOM 249 CA ARG A 19 16.950 54.071 82.205 1.00 0.00 C ATOM 250 C ARG A 19 16.169 53.770 80.921 1.00 0.00 C ATOM 251 O ARG A 19 16.388 54.393 79.900 1.00 0.00 O ATOM 252 CB ARG A 19 18.349 53.460 82.096 1.00 0.00 C ATOM 253 CG ARG A 19 19.400 54.568 82.196 1.00 0.00 C ATOM 254 CD ARG A 19 20.293 54.539 80.953 1.00 0.00 C ATOM 255 NE ARG A 19 21.724 54.606 81.367 1.00 0.00 N ATOM 256 CZ ARG A 19 22.648 54.851 80.479 1.00 0.00 C ATOM 257 NH1 ARG A 19 22.508 54.422 79.255 1.00 0.00 N ATOM 258 NH2 ARG A 19 23.714 55.525 80.815 1.00 0.00 N ATOM 0 H ARG A 19 16.773 52.776 83.894 1.00 0.00 H new ATOM 0 HA ARG A 19 17.018 55.152 82.328 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.500 52.728 82.889 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.453 52.930 81.149 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.913 55.539 82.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.003 54.432 83.093 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.111 53.628 80.382 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.053 55.378 80.300 1.00 0.00 H new ATOM 0 HE ARG A 19 21.980 54.460 82.343 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.676 53.895 78.992 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.231 54.614 78.561 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.825 55.860 81.772 1.00 0.00 H new ATOM 0 HH22 ARG A 19 24.436 55.716 80.121 1.00 0.00 H new ATOM 272 N LEU A 20 15.283 52.814 80.943 1.00 0.00 N ATOM 273 CA LEU A 20 14.533 52.488 79.693 1.00 0.00 C ATOM 274 C LEU A 20 13.076 52.991 79.751 1.00 0.00 C ATOM 275 O LEU A 20 12.556 53.481 78.769 1.00 0.00 O ATOM 276 CB LEU A 20 14.551 50.970 79.468 1.00 0.00 C ATOM 277 CG LEU A 20 14.284 50.242 80.788 1.00 0.00 C ATOM 278 CD1 LEU A 20 13.578 48.915 80.504 1.00 0.00 C ATOM 279 CD2 LEU A 20 15.614 49.967 81.495 1.00 0.00 C ATOM 0 H LEU A 20 15.046 52.250 81.759 1.00 0.00 H new ATOM 0 HA LEU A 20 15.024 52.995 78.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.796 50.694 78.732 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.516 50.665 79.064 1.00 0.00 H new ATOM 0 HG LEU A 20 13.653 50.862 81.424 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.387 48.396 81.443 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.632 49.107 79.997 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.211 48.295 79.869 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.426 49.449 82.435 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.243 49.346 80.858 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.121 50.911 81.696 1.00 0.00 H new ATOM 291 N THR A 21 12.401 52.868 80.868 1.00 0.00 N ATOM 292 CA THR A 21 10.984 53.337 80.924 1.00 0.00 C ATOM 293 C THR A 21 10.915 54.796 81.389 1.00 0.00 C ATOM 294 O THR A 21 10.052 55.545 80.975 1.00 0.00 O ATOM 295 CB THR A 21 10.196 52.458 81.897 1.00 0.00 C ATOM 296 OG1 THR A 21 11.017 52.127 83.008 1.00 0.00 O ATOM 297 CG2 THR A 21 9.752 51.177 81.188 1.00 0.00 C ATOM 0 H THR A 21 12.765 52.468 81.733 1.00 0.00 H new ATOM 0 HA THR A 21 10.554 53.267 79.925 1.00 0.00 H new ATOM 0 HB THR A 21 9.317 53.001 82.244 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.375 51.222 82.892 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.191 50.552 81.883 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.120 51.432 80.338 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.629 50.633 80.838 1.00 0.00 H new ATOM 305 N GLY A 22 11.805 55.208 82.252 1.00 0.00 N ATOM 306 CA GLY A 22 11.764 56.618 82.744 1.00 0.00 C ATOM 307 C GLY A 22 10.741 56.729 83.886 1.00 0.00 C ATOM 308 O GLY A 22 9.690 57.318 83.729 1.00 0.00 O ATOM 0 H GLY A 22 12.555 54.634 82.636 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.751 56.922 83.094 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.493 57.291 81.931 1.00 0.00 H new ATOM 312 N GLU A 23 11.034 56.162 85.032 1.00 0.00 N ATOM 313 CA GLU A 23 10.072 56.229 86.170 1.00 0.00 C ATOM 314 C GLU A 23 10.816 55.870 87.465 1.00 0.00 C ATOM 315 O GLU A 23 11.930 55.397 87.429 1.00 0.00 O ATOM 316 CB GLU A 23 8.942 55.220 85.917 1.00 0.00 C ATOM 317 CG GLU A 23 7.601 55.789 86.394 1.00 0.00 C ATOM 318 CD GLU A 23 7.386 57.180 85.793 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.516 57.308 84.586 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.093 58.091 86.550 1.00 0.00 O ATOM 0 H GLU A 23 11.899 55.656 85.225 1.00 0.00 H new ATOM 0 HA GLU A 23 9.651 57.230 86.261 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.887 54.985 84.854 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.155 54.287 86.439 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.788 55.125 86.099 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.586 55.847 87.482 1.00 0.00 H new ATOM 327 N CYS A 24 10.228 56.095 88.610 1.00 0.00 N ATOM 328 CA CYS A 24 10.937 55.753 89.876 1.00 0.00 C ATOM 329 C CYS A 24 11.149 54.236 89.948 1.00 0.00 C ATOM 330 O CYS A 24 10.222 53.480 90.162 1.00 0.00 O ATOM 331 CB CYS A 24 10.093 56.206 91.069 1.00 0.00 C ATOM 332 SG CYS A 24 10.173 58.010 91.213 1.00 0.00 S ATOM 0 H CYS A 24 9.297 56.497 88.723 1.00 0.00 H new ATOM 0 HA CYS A 24 11.903 56.257 89.900 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.059 55.886 90.939 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.458 55.741 91.984 1.00 0.00 H new ATOM 337 N LEU A 25 12.361 53.786 89.763 1.00 0.00 N ATOM 338 CA LEU A 25 12.634 52.318 89.810 1.00 0.00 C ATOM 339 C LEU A 25 13.166 51.936 91.199 1.00 0.00 C ATOM 340 O LEU A 25 13.717 50.869 91.382 1.00 0.00 O ATOM 341 CB LEU A 25 13.711 51.974 88.755 1.00 0.00 C ATOM 342 CG LEU A 25 13.433 50.672 87.984 1.00 0.00 C ATOM 343 CD1 LEU A 25 14.661 49.770 88.056 1.00 0.00 C ATOM 344 CD2 LEU A 25 12.222 49.916 88.533 1.00 0.00 C ATOM 0 H LEU A 25 13.176 54.372 89.581 1.00 0.00 H new ATOM 0 HA LEU A 25 11.714 51.771 89.606 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.786 52.797 88.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.678 51.892 89.251 1.00 0.00 H new ATOM 0 HG LEU A 25 13.212 50.944 86.952 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.467 48.847 87.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.515 50.281 87.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.880 49.537 89.098 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.069 49.005 87.954 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.397 49.657 89.577 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.336 50.546 88.459 1.00 0.00 H new ATOM 356 N LYS A 26 13.029 52.796 92.180 1.00 0.00 N ATOM 357 CA LYS A 26 13.561 52.445 93.532 1.00 0.00 C ATOM 358 C LYS A 26 12.997 53.379 94.618 1.00 0.00 C ATOM 359 O LYS A 26 13.720 54.185 95.170 1.00 0.00 O ATOM 360 CB LYS A 26 15.082 52.590 93.512 1.00 0.00 C ATOM 361 CG LYS A 26 15.713 51.455 94.308 1.00 0.00 C ATOM 362 CD LYS A 26 17.189 51.762 94.563 1.00 0.00 C ATOM 363 CE LYS A 26 17.458 51.752 96.069 1.00 0.00 C ATOM 364 NZ LYS A 26 18.636 50.885 96.360 1.00 0.00 N ATOM 0 H LYS A 26 12.580 53.709 92.105 1.00 0.00 H new ATOM 0 HA LYS A 26 13.263 51.422 93.764 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.446 52.573 92.485 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.372 53.551 93.937 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.189 51.328 95.255 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.616 50.517 93.761 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.817 51.023 94.066 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.447 52.734 94.143 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.644 52.766 96.422 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.582 51.384 96.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.818 50.879 97.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.442 49.916 96.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.471 51.255 95.862 1.00 0.00 H new ATOM 378 N CYS A 27 11.736 53.278 94.961 1.00 0.00 N ATOM 379 CA CYS A 27 11.203 54.168 96.037 1.00 0.00 C ATOM 380 C CYS A 27 12.076 53.991 97.284 1.00 0.00 C ATOM 381 O CYS A 27 12.626 52.934 97.514 1.00 0.00 O ATOM 382 CB CYS A 27 9.759 53.781 96.359 1.00 0.00 C ATOM 383 SG CYS A 27 8.730 53.996 94.886 1.00 0.00 S ATOM 0 H CYS A 27 11.064 52.630 94.551 1.00 0.00 H new ATOM 0 HA CYS A 27 11.222 55.207 95.709 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.716 52.746 96.697 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.379 54.398 97.173 1.00 0.00 H new ATOM 388 N ILE A 28 12.234 55.016 98.082 1.00 0.00 N ATOM 389 CA ILE A 28 13.110 54.873 99.292 1.00 0.00 C ATOM 390 C ILE A 28 12.310 54.771 100.597 1.00 0.00 C ATOM 391 O ILE A 28 12.404 53.797 101.309 1.00 0.00 O ATOM 392 CB ILE A 28 14.075 56.059 99.405 1.00 0.00 C ATOM 393 CG1 ILE A 28 13.605 57.236 98.550 1.00 0.00 C ATOM 394 CG2 ILE A 28 15.467 55.632 98.942 1.00 0.00 C ATOM 395 CD1 ILE A 28 14.278 58.519 99.039 1.00 0.00 C ATOM 0 H ILE A 28 11.804 55.932 97.955 1.00 0.00 H new ATOM 0 HA ILE A 28 13.662 53.943 99.155 1.00 0.00 H new ATOM 0 HB ILE A 28 14.104 56.375 100.448 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.850 57.060 97.503 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.521 57.335 98.611 1.00 0.00 H new ATOM 0 HG21 ILE A 28 16.152 56.476 99.023 1.00 0.00 H new ATOM 0 HG22 ILE A 28 15.824 54.814 99.568 1.00 0.00 H new ATOM 0 HG23 ILE A 28 15.420 55.301 97.905 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.944 59.360 98.431 1.00 0.00 H new ATOM 0 HD12 ILE A 28 14.010 58.696 100.081 1.00 0.00 H new ATOM 0 HD13 ILE A 28 15.360 58.417 98.955 1.00 0.00 H new ATOM 407 N TYR A 29 11.585 55.794 100.934 1.00 0.00 N ATOM 408 CA TYR A 29 10.825 55.818 102.225 1.00 0.00 C ATOM 409 C TYR A 29 9.856 54.638 102.347 1.00 0.00 C ATOM 410 O TYR A 29 8.673 54.765 102.104 1.00 0.00 O ATOM 411 CB TYR A 29 10.037 57.126 102.315 1.00 0.00 C ATOM 412 CG TYR A 29 11.001 58.289 102.319 1.00 0.00 C ATOM 413 CD1 TYR A 29 11.624 58.677 103.511 1.00 0.00 C ATOM 414 CD2 TYR A 29 11.275 58.974 101.130 1.00 0.00 C ATOM 415 CE1 TYR A 29 12.520 59.753 103.514 1.00 0.00 C ATOM 416 CE2 TYR A 29 12.172 60.049 101.132 1.00 0.00 C ATOM 417 CZ TYR A 29 12.794 60.438 102.325 1.00 0.00 C ATOM 418 OH TYR A 29 13.678 61.498 102.326 1.00 0.00 O ATOM 0 H TYR A 29 11.480 56.634 100.364 1.00 0.00 H new ATOM 0 HA TYR A 29 11.546 55.741 103.039 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.351 57.210 101.472 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.431 57.138 103.221 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.414 58.147 104.428 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.794 58.673 100.211 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.999 60.054 104.434 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.384 60.578 100.214 1.00 0.00 H new ATOM 0 HH TYR A 29 13.755 61.861 101.419 1.00 0.00 H new ATOM 428 N ASN A 30 10.376 53.512 102.767 1.00 0.00 N ATOM 429 CA ASN A 30 9.560 52.274 102.980 1.00 0.00 C ATOM 430 C ASN A 30 8.259 52.325 102.190 1.00 0.00 C ATOM 431 O ASN A 30 7.191 52.083 102.715 1.00 0.00 O ATOM 432 CB ASN A 30 9.240 52.135 104.468 1.00 0.00 C ATOM 433 CG ASN A 30 10.495 51.675 105.219 1.00 0.00 C ATOM 434 OD1 ASN A 30 10.987 50.587 104.990 1.00 0.00 O ATOM 435 ND2 ASN A 30 11.039 52.459 106.111 1.00 0.00 N ATOM 0 H ASN A 30 11.367 53.395 102.978 1.00 0.00 H new ATOM 0 HA ASN A 30 10.138 51.418 102.632 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.893 53.088 104.867 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.433 51.417 104.612 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.874 52.158 106.613 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.629 53.372 106.305 1.00 0.00 H new ATOM 442 N THR A 31 8.341 52.631 100.932 1.00 0.00 N ATOM 443 CA THR A 31 7.098 52.688 100.107 1.00 0.00 C ATOM 444 C THR A 31 7.231 51.731 98.924 1.00 0.00 C ATOM 445 O THR A 31 8.320 51.403 98.495 1.00 0.00 O ATOM 446 CB THR A 31 6.883 54.111 99.590 1.00 0.00 C ATOM 447 OG1 THR A 31 8.077 54.578 98.978 1.00 0.00 O ATOM 448 CG2 THR A 31 6.505 55.029 100.752 1.00 0.00 C ATOM 0 H THR A 31 9.206 52.844 100.436 1.00 0.00 H new ATOM 0 HA THR A 31 6.245 52.397 100.720 1.00 0.00 H new ATOM 0 HB THR A 31 6.077 54.112 98.856 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.727 54.820 99.671 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.352 56.042 100.380 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.586 54.670 101.215 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.307 55.030 101.490 1.00 0.00 H new ATOM 456 N ALA A 32 6.128 51.273 98.397 1.00 0.00 N ATOM 457 CA ALA A 32 6.189 50.330 97.245 1.00 0.00 C ATOM 458 C ALA A 32 5.363 50.885 96.085 1.00 0.00 C ATOM 459 O ALA A 32 5.042 52.055 96.042 1.00 0.00 O ATOM 460 CB ALA A 32 5.622 48.973 97.669 1.00 0.00 C ATOM 0 H ALA A 32 5.188 51.511 98.714 1.00 0.00 H new ATOM 0 HA ALA A 32 7.225 50.211 96.928 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.666 48.281 96.828 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.210 48.575 98.496 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.586 49.094 97.986 1.00 0.00 H new ATOM 466 N GLY A 33 5.017 50.054 95.143 1.00 0.00 N ATOM 467 CA GLY A 33 4.211 50.530 93.984 1.00 0.00 C ATOM 468 C GLY A 33 5.130 51.156 92.940 1.00 0.00 C ATOM 469 O GLY A 33 6.136 51.761 93.259 1.00 0.00 O ATOM 0 H GLY A 33 5.258 49.063 95.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.661 49.698 93.545 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.473 51.260 94.317 1.00 0.00 H new ATOM 473 N PHE A 34 4.791 51.012 91.693 1.00 0.00 N ATOM 474 CA PHE A 34 5.638 51.590 90.611 1.00 0.00 C ATOM 475 C PHE A 34 5.923 53.071 90.907 1.00 0.00 C ATOM 476 O PHE A 34 6.949 53.599 90.526 1.00 0.00 O ATOM 477 CB PHE A 34 4.893 51.464 89.268 1.00 0.00 C ATOM 478 CG PHE A 34 5.853 51.597 88.098 1.00 0.00 C ATOM 479 CD1 PHE A 34 7.207 51.886 88.318 1.00 0.00 C ATOM 480 CD2 PHE A 34 5.384 51.428 86.783 1.00 0.00 C ATOM 481 CE1 PHE A 34 8.086 52.006 87.235 1.00 0.00 C ATOM 482 CE2 PHE A 34 6.266 51.548 85.703 1.00 0.00 C ATOM 483 CZ PHE A 34 7.616 51.836 85.929 1.00 0.00 C ATOM 0 H PHE A 34 3.959 50.516 91.372 1.00 0.00 H new ATOM 0 HA PHE A 34 6.584 51.051 90.560 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.385 50.501 89.219 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.124 52.233 89.201 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.573 52.016 89.326 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.342 51.205 86.606 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.128 52.230 87.408 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.904 51.418 84.694 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.296 51.927 85.095 1.00 0.00 H new ATOM 493 N TYR A 35 5.026 53.754 91.575 1.00 0.00 N ATOM 494 CA TYR A 35 5.262 55.196 91.874 1.00 0.00 C ATOM 495 C TYR A 35 5.220 55.427 93.390 1.00 0.00 C ATOM 496 O TYR A 35 4.667 56.401 93.860 1.00 0.00 O ATOM 497 CB TYR A 35 4.174 56.039 91.204 1.00 0.00 C ATOM 498 CG TYR A 35 3.752 55.384 89.910 1.00 0.00 C ATOM 499 CD1 TYR A 35 4.695 55.159 88.900 1.00 0.00 C ATOM 500 CD2 TYR A 35 2.420 54.998 89.722 1.00 0.00 C ATOM 501 CE1 TYR A 35 4.306 54.549 87.702 1.00 0.00 C ATOM 502 CE2 TYR A 35 2.030 54.388 88.524 1.00 0.00 C ATOM 503 CZ TYR A 35 2.973 54.164 87.513 1.00 0.00 C ATOM 504 OH TYR A 35 2.588 53.563 86.333 1.00 0.00 O ATOM 0 H TYR A 35 4.145 53.375 91.924 1.00 0.00 H new ATOM 0 HA TYR A 35 6.241 55.486 91.492 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.316 56.140 91.869 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.547 57.045 91.010 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.723 55.456 89.045 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.693 55.171 90.501 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.034 54.375 86.923 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.002 54.090 88.379 1.00 0.00 H new ATOM 0 HH TYR A 35 3.201 52.827 86.126 1.00 0.00 H new ATOM 514 N CYS A 36 5.799 54.543 94.159 1.00 0.00 N ATOM 515 CA CYS A 36 5.786 54.723 95.640 1.00 0.00 C ATOM 516 C CYS A 36 4.353 54.991 96.112 1.00 0.00 C ATOM 517 O CYS A 36 4.130 55.664 97.098 1.00 0.00 O ATOM 518 CB CYS A 36 6.675 55.911 96.018 1.00 0.00 C ATOM 519 SG CYS A 36 8.146 55.929 94.964 1.00 0.00 S ATOM 0 H CYS A 36 6.279 53.707 93.827 1.00 0.00 H new ATOM 0 HA CYS A 36 6.163 53.818 96.117 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.122 56.843 95.903 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.967 55.841 97.066 1.00 0.00 H new ATOM 524 N ASP A 37 3.380 54.467 95.418 1.00 0.00 N ATOM 525 CA ASP A 37 1.963 54.688 95.828 1.00 0.00 C ATOM 526 C ASP A 37 1.529 53.578 96.783 1.00 0.00 C ATOM 527 O ASP A 37 0.365 53.437 97.099 1.00 0.00 O ATOM 528 CB ASP A 37 1.065 54.673 94.588 1.00 0.00 C ATOM 529 CG ASP A 37 1.304 53.385 93.799 1.00 0.00 C ATOM 530 OD1 ASP A 37 1.449 52.347 94.425 1.00 0.00 O ATOM 531 OD2 ASP A 37 1.338 53.456 92.581 1.00 0.00 O ATOM 0 H ASP A 37 3.505 53.894 94.583 1.00 0.00 H new ATOM 0 HA ASP A 37 1.877 55.652 96.329 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.018 54.742 94.884 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.277 55.540 93.962 1.00 0.00 H new ATOM 536 N ARG A 38 2.457 52.787 97.247 1.00 0.00 N ATOM 537 CA ARG A 38 2.099 51.692 98.179 1.00 0.00 C ATOM 538 C ARG A 38 3.028 51.741 99.391 1.00 0.00 C ATOM 539 O ARG A 38 3.747 52.696 99.603 1.00 0.00 O ATOM 540 CB ARG A 38 2.258 50.346 97.467 1.00 0.00 C ATOM 541 CG ARG A 38 0.992 49.510 97.667 1.00 0.00 C ATOM 542 CD ARG A 38 0.556 48.913 96.326 1.00 0.00 C ATOM 543 NE ARG A 38 0.029 47.537 96.546 1.00 0.00 N ATOM 544 CZ ARG A 38 -1.245 47.353 96.761 1.00 0.00 C ATOM 545 NH1 ARG A 38 -2.000 48.357 97.114 1.00 0.00 N ATOM 546 NH2 ARG A 38 -1.763 46.162 96.626 1.00 0.00 N ATOM 0 H ARG A 38 3.449 52.856 97.018 1.00 0.00 H new ATOM 0 HA ARG A 38 1.066 51.809 98.505 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.438 50.504 96.404 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.124 49.814 97.861 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.179 48.714 98.388 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.195 50.130 98.077 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.210 49.539 95.868 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.399 48.886 95.636 1.00 0.00 H new ATOM 0 HE ARG A 38 0.664 46.739 96.529 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.595 49.287 97.222 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.996 48.212 97.282 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.172 45.377 96.353 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.759 46.017 96.794 1.00 0.00 H new ATOM 560 N CYS A 39 3.018 50.710 100.179 1.00 0.00 N ATOM 561 CA CYS A 39 3.893 50.667 101.384 1.00 0.00 C ATOM 562 C CYS A 39 4.804 49.440 101.287 1.00 0.00 C ATOM 563 O CYS A 39 4.345 48.340 101.057 1.00 0.00 O ATOM 564 CB CYS A 39 3.008 50.561 102.634 1.00 0.00 C ATOM 565 SG CYS A 39 2.349 52.192 103.060 1.00 0.00 S ATOM 0 H CYS A 39 2.436 49.884 100.042 1.00 0.00 H new ATOM 0 HA CYS A 39 4.502 51.569 101.446 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.190 49.864 102.453 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.587 50.164 103.468 1.00 0.00 H new ATOM 570 N LYS A 40 6.090 49.610 101.450 1.00 0.00 N ATOM 571 CA LYS A 40 7.004 48.439 101.351 1.00 0.00 C ATOM 572 C LYS A 40 6.573 47.376 102.364 1.00 0.00 C ATOM 573 O LYS A 40 6.135 47.680 103.456 1.00 0.00 O ATOM 574 CB LYS A 40 8.433 48.894 101.658 1.00 0.00 C ATOM 575 CG LYS A 40 9.316 47.682 101.961 1.00 0.00 C ATOM 576 CD LYS A 40 10.755 48.148 102.191 1.00 0.00 C ATOM 577 CE LYS A 40 11.678 46.933 102.285 1.00 0.00 C ATOM 578 NZ LYS A 40 11.375 46.178 103.532 1.00 0.00 N ATOM 0 H LYS A 40 6.542 50.503 101.646 1.00 0.00 H new ATOM 0 HA LYS A 40 6.963 48.018 100.346 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.838 49.446 100.809 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.431 49.575 102.509 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.946 47.160 102.843 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.279 46.975 101.133 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.073 48.797 101.375 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.816 48.735 103.107 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.541 46.290 101.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.720 47.253 102.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.262 45.952 104.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.773 46.757 104.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.878 45.297 103.292 1.00 0.00 H new ATOM 592 N GLU A 41 6.689 46.129 102.001 1.00 0.00 N ATOM 593 CA GLU A 41 6.283 45.036 102.928 1.00 0.00 C ATOM 594 C GLU A 41 7.105 45.128 104.216 1.00 0.00 C ATOM 595 O GLU A 41 8.318 45.176 104.184 1.00 0.00 O ATOM 596 CB GLU A 41 6.540 43.684 102.257 1.00 0.00 C ATOM 597 CG GLU A 41 5.721 42.599 102.960 1.00 0.00 C ATOM 598 CD GLU A 41 4.537 42.202 102.076 1.00 0.00 C ATOM 599 OE1 GLU A 41 4.219 42.956 101.171 1.00 0.00 O ATOM 600 OE2 GLU A 41 3.969 41.150 102.319 1.00 0.00 O ATOM 0 H GLU A 41 7.049 45.819 101.098 1.00 0.00 H new ATOM 0 HA GLU A 41 5.224 45.133 103.166 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.269 43.733 101.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.601 43.440 102.303 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.346 41.729 103.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.364 42.964 103.923 1.00 0.00 H new ATOM 607 N GLY A 42 6.457 45.175 105.349 1.00 0.00 N ATOM 608 CA GLY A 42 7.205 45.288 106.627 1.00 0.00 C ATOM 609 C GLY A 42 6.704 46.533 107.333 1.00 0.00 C ATOM 610 O GLY A 42 6.630 46.596 108.543 1.00 0.00 O ATOM 0 H GLY A 42 5.442 45.140 105.441 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.045 44.405 107.245 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.277 45.357 106.440 1.00 0.00 H new ATOM 614 N PHE A 43 6.318 47.513 106.571 1.00 0.00 N ATOM 615 CA PHE A 43 5.772 48.740 107.180 1.00 0.00 C ATOM 616 C PHE A 43 4.511 49.152 106.442 1.00 0.00 C ATOM 617 O PHE A 43 4.482 49.286 105.235 1.00 0.00 O ATOM 618 CB PHE A 43 6.767 49.883 107.113 1.00 0.00 C ATOM 619 CG PHE A 43 8.159 49.371 107.390 1.00 0.00 C ATOM 620 CD1 PHE A 43 8.788 48.524 106.470 1.00 0.00 C ATOM 621 CD2 PHE A 43 8.823 49.745 108.565 1.00 0.00 C ATOM 622 CE1 PHE A 43 10.080 48.050 106.723 1.00 0.00 C ATOM 623 CE2 PHE A 43 10.117 49.271 108.818 1.00 0.00 C ATOM 624 CZ PHE A 43 10.745 48.424 107.897 1.00 0.00 C ATOM 0 H PHE A 43 6.359 47.512 105.552 1.00 0.00 H new ATOM 0 HA PHE A 43 5.555 48.526 108.227 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.731 50.350 106.129 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.501 50.651 107.840 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.276 48.236 105.564 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.338 50.398 109.275 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.564 47.396 106.013 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.630 49.559 109.724 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.743 48.059 108.092 1.00 0.00 H new ATOM 634 N PHE A 44 3.484 49.364 107.181 1.00 0.00 N ATOM 635 CA PHE A 44 2.187 49.792 106.587 1.00 0.00 C ATOM 636 C PHE A 44 1.952 51.258 106.945 1.00 0.00 C ATOM 637 O PHE A 44 2.763 51.875 107.603 1.00 0.00 O ATOM 638 CB PHE A 44 1.047 48.944 107.155 1.00 0.00 C ATOM 639 CG PHE A 44 1.516 47.520 107.342 1.00 0.00 C ATOM 640 CD1 PHE A 44 1.659 46.680 106.231 1.00 0.00 C ATOM 641 CD2 PHE A 44 1.804 47.040 108.626 1.00 0.00 C ATOM 642 CE1 PHE A 44 2.091 45.360 106.404 1.00 0.00 C ATOM 643 CE2 PHE A 44 2.236 45.720 108.797 1.00 0.00 C ATOM 644 CZ PHE A 44 2.379 44.880 107.687 1.00 0.00 C ATOM 0 H PHE A 44 3.475 49.260 108.196 1.00 0.00 H new ATOM 0 HA PHE A 44 2.217 49.665 105.505 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.715 49.356 108.108 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.191 48.970 106.481 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.436 47.050 105.241 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.693 47.688 109.483 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.202 44.712 105.547 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.459 45.349 109.787 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.712 43.861 107.820 1.00 0.00 H new ATOM 654 N GLY A 45 0.857 51.824 106.527 1.00 0.00 N ATOM 655 CA GLY A 45 0.600 53.254 106.860 1.00 0.00 C ATOM 656 C GLY A 45 0.107 53.997 105.623 1.00 0.00 C ATOM 657 O GLY A 45 -0.648 53.476 104.827 1.00 0.00 O ATOM 0 H GLY A 45 0.133 51.365 105.974 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.142 53.323 107.656 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.512 53.719 107.234 1.00 0.00 H new ATOM 661 N ASN A 46 0.528 55.216 105.465 1.00 0.00 N ATOM 662 CA ASN A 46 0.090 56.017 104.284 1.00 0.00 C ATOM 663 C ASN A 46 1.324 56.601 103.588 1.00 0.00 C ATOM 664 O ASN A 46 1.919 57.535 104.084 1.00 0.00 O ATOM 665 CB ASN A 46 -0.815 57.159 104.755 1.00 0.00 C ATOM 666 CG ASN A 46 -2.162 56.591 105.208 1.00 0.00 C ATOM 667 OD1 ASN A 46 -3.041 56.364 104.401 1.00 0.00 O ATOM 668 ND2 ASN A 46 -2.363 56.352 106.476 1.00 0.00 N ATOM 0 H ASN A 46 1.160 55.699 106.104 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.458 55.380 103.589 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.341 57.698 105.576 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.964 57.876 103.947 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.258 55.975 106.788 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.625 56.542 107.154 1.00 0.00 H new ATOM 675 N PRO A 47 1.680 56.030 102.464 1.00 0.00 N ATOM 676 CA PRO A 47 2.854 56.469 101.694 1.00 0.00 C ATOM 677 C PRO A 47 2.512 57.707 100.861 1.00 0.00 C ATOM 678 O PRO A 47 3.363 58.286 100.214 1.00 0.00 O ATOM 679 CB PRO A 47 3.161 55.270 100.797 1.00 0.00 C ATOM 680 CG PRO A 47 1.845 54.462 100.679 1.00 0.00 C ATOM 681 CD PRO A 47 0.950 54.900 101.853 1.00 0.00 C ATOM 0 HA PRO A 47 3.700 56.752 102.320 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.505 55.597 99.816 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.955 54.658 101.225 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.355 54.657 99.725 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.043 53.391 100.722 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.038 55.204 101.508 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.803 54.089 102.566 1.00 0.00 H new ATOM 689 N LEU A 48 1.274 58.115 100.871 1.00 0.00 N ATOM 690 CA LEU A 48 0.878 59.314 100.080 1.00 0.00 C ATOM 691 C LEU A 48 0.544 60.468 101.031 1.00 0.00 C ATOM 692 O LEU A 48 -0.376 61.229 100.800 1.00 0.00 O ATOM 693 CB LEU A 48 -0.349 58.982 99.230 1.00 0.00 C ATOM 694 CG LEU A 48 -0.052 57.755 98.365 1.00 0.00 C ATOM 695 CD1 LEU A 48 -1.282 57.412 97.524 1.00 0.00 C ATOM 696 CD2 LEU A 48 1.129 58.056 97.440 1.00 0.00 C ATOM 0 H LEU A 48 0.519 57.670 101.393 1.00 0.00 H new ATOM 0 HA LEU A 48 1.702 59.607 99.430 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.208 58.788 99.872 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.608 59.832 98.598 1.00 0.00 H new ATOM 0 HG LEU A 48 0.195 56.910 99.008 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.070 56.538 96.908 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.124 57.196 98.182 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.531 58.257 96.882 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.341 57.182 96.824 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.882 58.901 96.798 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.007 58.299 98.038 1.00 0.00 H new ATOM 708 N ALA A 49 1.285 60.606 102.097 1.00 0.00 N ATOM 709 CA ALA A 49 1.012 61.709 103.061 1.00 0.00 C ATOM 710 C ALA A 49 2.067 62.802 102.884 1.00 0.00 C ATOM 711 O ALA A 49 3.154 62.536 102.411 1.00 0.00 O ATOM 712 CB ALA A 49 1.081 61.159 104.489 1.00 0.00 C ATOM 0 H ALA A 49 2.069 60.001 102.342 1.00 0.00 H new ATOM 0 HA ALA A 49 0.021 62.124 102.878 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.882 61.962 105.198 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.336 60.373 104.613 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.074 60.750 104.674 1.00 0.00 H new ATOM 718 N PRO A 50 1.723 64.002 103.275 1.00 0.00 N ATOM 719 CA PRO A 50 2.636 65.150 103.176 1.00 0.00 C ATOM 720 C PRO A 50 3.702 65.042 104.265 1.00 0.00 C ATOM 721 O PRO A 50 4.787 65.573 104.144 1.00 0.00 O ATOM 722 CB PRO A 50 1.724 66.361 103.400 1.00 0.00 C ATOM 723 CG PRO A 50 0.481 65.833 104.154 1.00 0.00 C ATOM 724 CD PRO A 50 0.402 64.324 103.858 1.00 0.00 C ATOM 0 HA PRO A 50 3.167 65.213 102.226 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.234 67.130 103.981 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.440 66.815 102.451 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.570 66.015 105.225 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.422 66.342 103.818 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.216 63.749 104.765 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.407 64.096 103.164 1.00 0.00 H new ATOM 732 N ASN A 51 3.398 64.342 105.322 1.00 0.00 N ATOM 733 CA ASN A 51 4.390 64.177 106.419 1.00 0.00 C ATOM 734 C ASN A 51 5.040 62.793 106.298 1.00 0.00 C ATOM 735 O ASN A 51 4.355 61.813 106.083 1.00 0.00 O ATOM 736 CB ASN A 51 3.681 64.290 107.771 1.00 0.00 C ATOM 737 CG ASN A 51 4.531 65.136 108.719 1.00 0.00 C ATOM 738 OD1 ASN A 51 5.241 64.608 109.552 1.00 0.00 O ATOM 739 ND2 ASN A 51 4.491 66.437 108.627 1.00 0.00 N ATOM 0 H ASN A 51 2.503 63.876 105.473 1.00 0.00 H new ATOM 0 HA ASN A 51 5.153 64.952 106.346 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.698 64.744 107.642 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.521 63.298 108.195 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.055 67.010 109.254 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.895 66.881 107.928 1.00 0.00 H new ATOM 746 N PRO A 52 6.342 62.744 106.446 1.00 0.00 N ATOM 747 CA PRO A 52 7.095 61.479 106.363 1.00 0.00 C ATOM 748 C PRO A 52 6.903 60.660 107.647 1.00 0.00 C ATOM 749 O PRO A 52 7.137 59.468 107.669 1.00 0.00 O ATOM 750 CB PRO A 52 8.548 61.934 106.212 1.00 0.00 C ATOM 751 CG PRO A 52 8.614 63.372 106.775 1.00 0.00 C ATOM 752 CD PRO A 52 7.181 63.932 106.710 1.00 0.00 C ATOM 0 HA PRO A 52 6.771 60.837 105.544 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.221 61.272 106.757 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.856 61.911 105.167 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.984 63.371 107.800 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.298 63.987 106.190 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.900 64.419 107.644 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.079 64.676 105.920 1.00 0.00 H new ATOM 760 N ALA A 53 6.480 61.286 108.717 1.00 0.00 N ATOM 761 CA ALA A 53 6.278 60.532 109.987 1.00 0.00 C ATOM 762 C ALA A 53 5.002 59.695 109.884 1.00 0.00 C ATOM 763 O ALA A 53 4.793 58.767 110.640 1.00 0.00 O ATOM 764 CB ALA A 53 6.152 61.515 111.151 1.00 0.00 C ATOM 0 H ALA A 53 6.267 62.282 108.764 1.00 0.00 H new ATOM 0 HA ALA A 53 7.131 59.875 110.159 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.004 60.963 112.079 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.062 62.111 111.224 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.300 62.173 110.981 1.00 0.00 H new ATOM 770 N ASP A 54 4.148 60.013 108.950 1.00 0.00 N ATOM 771 CA ASP A 54 2.888 59.233 108.792 1.00 0.00 C ATOM 772 C ASP A 54 3.009 58.324 107.566 1.00 0.00 C ATOM 773 O ASP A 54 2.042 57.751 107.106 1.00 0.00 O ATOM 774 CB ASP A 54 1.711 60.193 108.604 1.00 0.00 C ATOM 775 CG ASP A 54 1.469 60.964 109.903 1.00 0.00 C ATOM 776 OD1 ASP A 54 1.967 60.529 110.929 1.00 0.00 O ATOM 777 OD2 ASP A 54 0.790 61.976 109.851 1.00 0.00 O ATOM 0 H ASP A 54 4.269 60.780 108.289 1.00 0.00 H new ATOM 0 HA ASP A 54 2.719 58.627 109.682 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.921 60.887 107.790 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.815 59.637 108.326 1.00 0.00 H new ATOM 782 N LYS A 55 4.195 58.190 107.036 1.00 0.00 N ATOM 783 CA LYS A 55 4.388 57.322 105.840 1.00 0.00 C ATOM 784 C LYS A 55 4.052 55.869 106.207 1.00 0.00 C ATOM 785 O LYS A 55 3.100 55.610 106.921 1.00 0.00 O ATOM 786 CB LYS A 55 5.846 57.439 105.378 1.00 0.00 C ATOM 787 CG LYS A 55 5.935 57.135 103.882 1.00 0.00 C ATOM 788 CD LYS A 55 5.576 58.394 103.088 1.00 0.00 C ATOM 789 CE LYS A 55 6.672 58.685 102.063 1.00 0.00 C ATOM 790 NZ LYS A 55 7.743 59.502 102.699 1.00 0.00 N ATOM 0 H LYS A 55 5.040 58.645 107.381 1.00 0.00 H new ATOM 0 HA LYS A 55 3.729 57.636 105.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.222 58.442 105.579 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.473 56.745 105.938 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.941 56.804 103.626 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.257 56.322 103.623 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.620 58.257 102.583 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.462 59.242 103.764 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.088 57.751 101.685 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.254 59.217 101.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.632 59.379 102.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.469 60.505 102.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.877 59.193 103.683 1.00 0.00 H new ATOM 804 N CYS A 56 4.815 54.915 105.731 1.00 0.00 N ATOM 805 CA CYS A 56 4.527 53.494 106.074 1.00 0.00 C ATOM 806 C CYS A 56 5.469 53.054 107.201 1.00 0.00 C ATOM 807 O CYS A 56 6.640 52.814 106.980 1.00 0.00 O ATOM 808 CB CYS A 56 4.756 52.600 104.849 1.00 0.00 C ATOM 809 SG CYS A 56 3.979 53.339 103.393 1.00 0.00 S ATOM 0 H CYS A 56 5.621 55.061 105.123 1.00 0.00 H new ATOM 0 HA CYS A 56 3.489 53.403 106.393 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.825 52.472 104.676 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.341 51.608 105.029 1.00 0.00 H new ATOM 814 N LYS A 57 4.975 52.954 108.406 1.00 0.00 N ATOM 815 CA LYS A 57 5.853 52.537 109.537 1.00 0.00 C ATOM 816 C LYS A 57 5.480 51.125 109.989 1.00 0.00 C ATOM 817 O LYS A 57 4.677 50.458 109.373 1.00 0.00 O ATOM 818 CB LYS A 57 5.671 53.505 110.707 1.00 0.00 C ATOM 819 CG LYS A 57 6.208 54.884 110.321 1.00 0.00 C ATOM 820 CD LYS A 57 6.407 55.725 111.583 1.00 0.00 C ATOM 821 CE LYS A 57 5.065 55.894 112.299 1.00 0.00 C ATOM 822 NZ LYS A 57 5.246 55.640 113.757 1.00 0.00 N ATOM 0 H LYS A 57 4.004 53.142 108.656 1.00 0.00 H new ATOM 0 HA LYS A 57 6.892 52.549 109.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.616 53.576 110.973 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.197 53.132 111.586 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.152 54.782 109.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.512 55.381 109.646 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.126 55.243 112.245 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.818 56.700 111.322 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.679 56.901 112.139 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.331 55.202 111.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.335 55.754 114.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.596 54.671 113.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.934 56.317 114.145 1.00 0.00 H new ATOM 836 N ALA A 58 6.059 50.665 111.064 1.00 0.00 N ATOM 837 CA ALA A 58 5.738 49.296 111.559 1.00 0.00 C ATOM 838 C ALA A 58 4.635 49.381 112.615 1.00 0.00 C ATOM 839 O ALA A 58 4.200 50.483 112.901 1.00 0.00 O ATOM 840 CB ALA A 58 6.990 48.674 112.179 1.00 0.00 C ATOM 841 OXT ALA A 58 4.244 48.341 113.121 1.00 0.00 O ATOM 0 H ALA A 58 6.741 51.179 111.622 1.00 0.00 H new ATOM 0 HA ALA A 58 5.398 48.679 110.728 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.757 47.673 112.542 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.777 48.614 111.427 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.329 49.291 113.011 1.00 0.00 H new TER 847 ALA A 58