USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -73:sc= 0.62 USER MOD Set 1.2: A 35 HIS : no HD1:sc= -0.729 X(o=-0.11,f=0.11) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.124 K(o=-0.9,f=-2.1) USER MOD Set 2.2: A 9 MET CE :methyl -177:sc= -0.78 (180deg=-0.805) USER MOD Set 3.1: A 6 TYR OH : rot 78:sc= 1.24 USER MOD Set 3.2: A 45 GLN : amide:sc= 1.05 K(o=2.3,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 169:sc= -4.15! (180deg=-4.31!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 170:sc= -0.405 USER MOD Single : A 15 GLN : amide:sc= -1.51! K(o=-1.5!,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.833 K(o=0.83,f=-5.9!) USER MOD Single : A 27 SER OG : rot -143:sc= 0.836 USER MOD Single : A 29 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 69:sc= 0.298 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 69:sc= 0.832 USER MOD Single : A 56 THR OG1 : rot 64:sc= 0.405 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.627 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc=-0.00563 (180deg=-0.152) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.722 9.785 -3.503 1.00 0.00 N ATOM 2 CA GLY A 1 -5.229 9.526 -4.881 1.00 0.00 C ATOM 3 C GLY A 1 -4.749 8.198 -5.380 1.00 0.00 C ATOM 4 O GLY A 1 -5.324 7.627 -6.303 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.905 10.776 -3.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.208 9.158 -2.831 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.699 9.602 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.319 9.549 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.892 10.316 -5.552 1.00 0.00 H new ATOM 7 N ASP A 2 -3.666 7.672 -4.770 1.00 0.00 N ATOM 8 CA ASP A 2 -3.136 6.403 -5.187 1.00 0.00 C ATOM 9 C ASP A 2 -3.652 5.373 -4.229 1.00 0.00 C ATOM 10 O ASP A 2 -3.428 5.461 -3.023 1.00 0.00 O ATOM 11 CB ASP A 2 -1.593 6.353 -5.161 1.00 0.00 C ATOM 12 CG ASP A 2 -0.965 7.202 -6.258 1.00 0.00 C ATOM 13 OD1 ASP A 2 -1.697 7.586 -7.208 1.00 0.00 O ATOM 14 OD2 ASP A 2 0.261 7.477 -6.160 1.00 0.00 O1- ATOM 0 H ASP A 2 -3.164 8.116 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.447 6.225 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.238 6.698 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.264 5.320 -5.272 1.00 0.00 H new ATOM 19 N HIS A 3 -4.353 4.351 -4.759 1.00 0.00 N ATOM 20 CA HIS A 3 -4.881 3.319 -3.914 1.00 0.00 C ATOM 21 C HIS A 3 -5.030 2.093 -4.766 1.00 0.00 C ATOM 22 O HIS A 3 -5.129 2.183 -5.990 1.00 0.00 O ATOM 23 CB HIS A 3 -6.258 3.681 -3.312 1.00 0.00 C ATOM 24 CG HIS A 3 -7.335 3.910 -4.341 1.00 0.00 C ATOM 25 ND1 HIS A 3 -8.042 2.835 -4.858 1.00 0.00 N ATOM 26 CD2 HIS A 3 -7.772 5.076 -4.894 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.891 3.376 -5.712 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.770 4.725 -5.773 1.00 0.00 N ATOM 0 H HIS A 3 -4.552 4.239 -5.753 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.201 3.170 -3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.573 2.880 -2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.153 4.580 -2.705 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.409 6.072 -4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.601 2.809 -6.296 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.315 5.358 -6.358 1.00 0.00 H new ATOM 35 N PRO A 4 -5.027 0.937 -4.137 1.00 0.00 N ATOM 36 CA PRO A 4 -5.171 -0.313 -4.843 1.00 0.00 C ATOM 37 C PRO A 4 -6.605 -0.694 -5.086 1.00 0.00 C ATOM 38 O PRO A 4 -7.040 -0.795 -6.230 1.00 0.00 O ATOM 39 CB PRO A 4 -4.471 -1.336 -3.945 1.00 0.00 C ATOM 40 CG PRO A 4 -4.476 -0.725 -2.536 1.00 0.00 C ATOM 41 CD PRO A 4 -4.882 0.748 -2.691 1.00 0.00 C ATOM 0 HA PRO A 4 -4.738 -0.253 -5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.994 -2.292 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.453 -1.525 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.176 -1.253 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.492 -0.808 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.814 0.960 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.125 1.414 -2.277 1.00 0.00 H new ATOM 49 N LYS A 5 -7.371 -0.923 -3.997 1.00 0.00 N ATOM 50 CA LYS A 5 -8.754 -1.304 -4.138 1.00 0.00 C ATOM 51 C LYS A 5 -9.561 -0.440 -3.215 1.00 0.00 C ATOM 52 O LYS A 5 -9.076 0.012 -2.178 1.00 0.00 O ATOM 53 CB LYS A 5 -9.019 -2.778 -3.770 1.00 0.00 C ATOM 54 CG LYS A 5 -8.315 -3.757 -4.712 1.00 0.00 C ATOM 55 CD LYS A 5 -8.584 -5.219 -4.348 1.00 0.00 C ATOM 56 CE LYS A 5 -7.880 -6.196 -5.290 1.00 0.00 C ATOM 57 NZ LYS A 5 -8.167 -7.591 -4.889 1.00 0.00 N1+ ATOM 0 H LYS A 5 -7.043 -0.847 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.029 -1.177 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.685 -2.959 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.092 -2.967 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.646 -3.574 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.241 -3.572 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.253 -5.402 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.658 -5.405 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.213 -6.029 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.805 -6.019 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.683 -8.245 -5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.828 -7.750 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.192 -7.760 -4.929 1.00 0.00 H new ATOM 71 N TYR A 6 -10.841 -0.205 -3.583 1.00 0.00 N ATOM 72 CA TYR A 6 -11.722 0.605 -2.768 1.00 0.00 C ATOM 73 C TYR A 6 -11.967 -0.095 -1.464 1.00 0.00 C ATOM 74 O TYR A 6 -12.063 0.541 -0.417 1.00 0.00 O ATOM 75 CB TYR A 6 -13.093 0.864 -3.422 1.00 0.00 C ATOM 76 CG TYR A 6 -13.104 2.022 -4.362 1.00 0.00 C ATOM 77 CD1 TYR A 6 -12.651 1.887 -5.657 1.00 0.00 C ATOM 78 CD2 TYR A 6 -13.576 3.246 -3.941 1.00 0.00 C ATOM 79 CE1 TYR A 6 -12.673 2.963 -6.515 1.00 0.00 C ATOM 80 CE2 TYR A 6 -13.595 4.317 -4.796 1.00 0.00 C ATOM 81 CZ TYR A 6 -13.144 4.177 -6.083 1.00 0.00 C ATOM 82 OH TYR A 6 -13.169 5.279 -6.965 1.00 0.00 O ATOM 0 H TYR A 6 -11.267 -0.569 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 6 -11.224 1.566 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -13.403 -0.032 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -13.831 1.037 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -12.277 0.933 -6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.934 3.363 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.319 2.852 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.966 5.272 -4.455 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.931 5.192 -7.575 1.00 0.00 H new ATOM 92 N SER A 7 -12.082 -1.439 -1.503 1.00 0.00 N ATOM 93 CA SER A 7 -12.337 -2.196 -0.298 1.00 0.00 C ATOM 94 C SER A 7 -11.194 -1.999 0.656 1.00 0.00 C ATOM 95 O SER A 7 -11.401 -1.896 1.858 1.00 0.00 O ATOM 96 CB SER A 7 -12.485 -3.707 -0.546 1.00 0.00 C ATOM 97 OG SER A 7 -13.624 -3.959 -1.361 1.00 0.00 O ATOM 0 H SER A 7 -12.001 -2.000 -2.351 1.00 0.00 H new ATOM 0 HA SER A 7 -13.281 -1.829 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.588 -4.093 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.585 -4.231 0.404 1.00 0.00 H new ATOM 0 HG SER A 7 -13.621 -4.896 -1.647 1.00 0.00 H new ATOM 103 N ASP A 8 -9.947 -1.954 0.134 1.00 0.00 N ATOM 104 CA ASP A 8 -8.796 -1.781 0.991 1.00 0.00 C ATOM 105 C ASP A 8 -8.881 -0.439 1.677 1.00 0.00 C ATOM 106 O ASP A 8 -8.550 -0.320 2.854 1.00 0.00 O ATOM 107 CB ASP A 8 -7.456 -1.848 0.230 1.00 0.00 C ATOM 108 CG ASP A 8 -7.133 -3.259 -0.245 1.00 0.00 C ATOM 109 OD1 ASP A 8 -7.789 -4.217 0.240 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.223 -3.394 -1.104 1.00 0.00 O1- ATOM 0 H ASP A 8 -9.734 -2.035 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.814 -2.603 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.494 -1.177 -0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.654 -1.492 0.877 1.00 0.00 H new ATOM 115 N MET A 9 -9.318 0.615 0.944 1.00 0.00 N ATOM 116 CA MET A 9 -9.422 1.930 1.543 1.00 0.00 C ATOM 117 C MET A 9 -10.483 1.893 2.607 1.00 0.00 C ATOM 118 O MET A 9 -10.330 2.490 3.671 1.00 0.00 O ATOM 119 CB MET A 9 -9.800 3.039 0.542 1.00 0.00 C ATOM 120 CG MET A 9 -8.683 3.353 -0.455 1.00 0.00 C ATOM 121 SD MET A 9 -9.011 4.851 -1.434 1.00 0.00 S ATOM 122 CE MET A 9 -10.331 4.117 -2.443 1.00 0.00 C ATOM 0 H MET A 9 -9.593 0.564 -0.037 1.00 0.00 H new ATOM 0 HA MET A 9 -8.436 2.168 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 9 -10.693 2.737 -0.005 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.054 3.945 1.092 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.744 3.476 0.085 1.00 0.00 H new ATOM 0 HG3 MET A 9 -8.555 2.506 -1.128 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.672 4.844 -3.181 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.950 3.233 -2.954 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.165 3.833 -1.801 1.00 0.00 H new ATOM 132 N ILE A 10 -11.602 1.194 2.324 1.00 0.00 N ATOM 133 CA ILE A 10 -12.681 1.087 3.279 1.00 0.00 C ATOM 134 C ILE A 10 -12.187 0.365 4.498 1.00 0.00 C ATOM 135 O ILE A 10 -12.450 0.789 5.615 1.00 0.00 O ATOM 136 CB ILE A 10 -13.882 0.375 2.713 1.00 0.00 C ATOM 137 CG1 ILE A 10 -14.569 1.292 1.691 1.00 0.00 C ATOM 138 CG2 ILE A 10 -14.825 -0.025 3.866 1.00 0.00 C ATOM 139 CD1 ILE A 10 -15.512 0.543 0.757 1.00 0.00 C ATOM 0 H ILE A 10 -11.764 0.705 1.444 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.001 2.097 3.536 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.587 -0.539 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.128 2.063 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.808 1.801 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.696 -0.541 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.298 -0.687 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.148 0.869 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.966 1.246 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.952 -0.210 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.293 0.057 1.342 1.00 0.00 H new ATOM 151 N VAL A 11 -11.426 -0.733 4.306 1.00 0.00 N ATOM 152 CA VAL A 11 -10.918 -1.497 5.427 1.00 0.00 C ATOM 153 C VAL A 11 -10.038 -0.603 6.263 1.00 0.00 C ATOM 154 O VAL A 11 -10.096 -0.638 7.492 1.00 0.00 O ATOM 155 CB VAL A 11 -10.113 -2.700 4.996 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.422 -3.316 6.226 1.00 0.00 C ATOM 157 CG2 VAL A 11 -11.061 -3.695 4.302 1.00 0.00 C ATOM 0 H VAL A 11 -11.161 -1.094 3.390 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.776 -1.860 5.992 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.332 -2.421 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.840 -4.185 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.761 -2.578 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.176 -3.622 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.498 -4.572 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.842 -3.999 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.515 -3.219 3.433 1.00 0.00 H new ATOM 167 N ALA A 12 -9.193 0.226 5.608 1.00 0.00 N ATOM 168 CA ALA A 12 -8.322 1.121 6.338 1.00 0.00 C ATOM 169 C ALA A 12 -9.175 2.071 7.143 1.00 0.00 C ATOM 170 O ALA A 12 -8.861 2.388 8.288 1.00 0.00 O ATOM 171 CB ALA A 12 -7.420 1.965 5.413 1.00 0.00 C ATOM 0 H ALA A 12 -9.110 0.280 4.593 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.679 0.506 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.789 2.617 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.792 1.304 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.041 2.571 4.753 1.00 0.00 H new ATOM 177 N ALA A 13 -10.286 2.545 6.540 1.00 0.00 N ATOM 178 CA ALA A 13 -11.179 3.462 7.211 1.00 0.00 C ATOM 179 C ALA A 13 -11.811 2.786 8.404 1.00 0.00 C ATOM 180 O ALA A 13 -12.006 3.414 9.444 1.00 0.00 O ATOM 181 CB ALA A 13 -12.304 3.968 6.293 1.00 0.00 C ATOM 0 H ALA A 13 -10.570 2.298 5.592 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.575 4.316 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.945 4.653 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.870 4.488 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.895 3.122 5.941 1.00 0.00 H new ATOM 187 N ILE A 14 -12.169 1.485 8.279 1.00 0.00 N ATOM 188 CA ILE A 14 -12.801 0.786 9.379 1.00 0.00 C ATOM 189 C ILE A 14 -11.802 0.675 10.506 1.00 0.00 C ATOM 190 O ILE A 14 -12.145 0.860 11.670 1.00 0.00 O ATOM 191 CB ILE A 14 -13.255 -0.620 9.047 1.00 0.00 C ATOM 192 CG1 ILE A 14 -14.225 -0.651 7.840 1.00 0.00 C ATOM 193 CG2 ILE A 14 -13.915 -1.216 10.306 1.00 0.00 C ATOM 194 CD1 ILE A 14 -15.469 0.226 8.005 1.00 0.00 C ATOM 0 H ILE A 14 -12.027 0.925 7.439 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.689 1.364 9.637 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.392 -1.217 8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -13.686 -0.332 6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -14.541 -1.680 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.252 -2.231 10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.192 -1.236 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -14.769 -0.603 10.594 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -16.092 0.145 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -16.035 -0.105 8.876 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -15.167 1.264 8.143 1.00 0.00 H new ATOM 206 N GLN A 15 -10.526 0.370 10.172 1.00 0.00 N ATOM 207 CA GLN A 15 -9.502 0.219 11.189 1.00 0.00 C ATOM 208 C GLN A 15 -9.215 1.553 11.822 1.00 0.00 C ATOM 209 O GLN A 15 -8.740 1.610 12.957 1.00 0.00 O ATOM 210 CB GLN A 15 -8.172 -0.334 10.640 1.00 0.00 C ATOM 211 CG GLN A 15 -8.279 -1.796 10.190 1.00 0.00 C ATOM 212 CD GLN A 15 -6.924 -2.233 9.650 1.00 0.00 C ATOM 213 OE1 GLN A 15 -6.021 -2.568 10.408 1.00 0.00 O ATOM 214 NE2 GLN A 15 -6.770 -2.221 8.304 1.00 0.00 N ATOM 0 H GLN A 15 -10.201 0.229 9.216 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.896 -0.497 11.910 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.849 0.278 9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.404 -0.250 11.409 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.576 -2.429 11.026 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.045 -1.901 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.545 -1.936 7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.880 -2.497 7.890 1.00 0.00 H new ATOM 223 N ALA A 16 -9.482 2.664 11.100 1.00 0.00 N ATOM 224 CA ALA A 16 -9.227 3.978 11.643 1.00 0.00 C ATOM 225 C ALA A 16 -10.063 4.152 12.882 1.00 0.00 C ATOM 226 O ALA A 16 -9.610 4.725 13.871 1.00 0.00 O ATOM 227 CB ALA A 16 -9.574 5.114 10.663 1.00 0.00 C ATOM 0 H ALA A 16 -9.868 2.658 10.156 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.159 4.041 11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.360 6.075 11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.976 5.009 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.632 5.063 10.406 1.00 0.00 H new ATOM 233 N GLU A 17 -11.321 3.662 12.845 1.00 0.00 N ATOM 234 CA GLU A 17 -12.177 3.768 13.999 1.00 0.00 C ATOM 235 C GLU A 17 -12.596 2.377 14.368 1.00 0.00 C ATOM 236 O GLU A 17 -13.697 1.940 14.042 1.00 0.00 O ATOM 237 CB GLU A 17 -13.449 4.605 13.757 1.00 0.00 C ATOM 238 CG GLU A 17 -13.145 6.100 13.591 1.00 0.00 C ATOM 239 CD GLU A 17 -14.450 6.849 13.350 1.00 0.00 C ATOM 240 OE1 GLU A 17 -15.508 6.180 13.200 1.00 0.00 O ATOM 241 OE2 GLU A 17 -14.406 8.108 13.311 1.00 0.00 O1- ATOM 0 H GLU A 17 -11.740 3.202 12.037 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.614 4.274 14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.956 4.239 12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.135 4.467 14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.650 6.484 14.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.462 6.255 12.755 1.00 0.00 H new ATOM 248 N LYS A 18 -11.712 1.655 15.091 1.00 0.00 N ATOM 249 CA LYS A 18 -12.020 0.307 15.501 1.00 0.00 C ATOM 250 C LYS A 18 -12.772 0.377 16.804 1.00 0.00 C ATOM 251 O LYS A 18 -12.473 -0.342 17.758 1.00 0.00 O ATOM 252 CB LYS A 18 -10.760 -0.566 15.699 1.00 0.00 C ATOM 253 CG LYS A 18 -9.683 0.117 16.552 1.00 0.00 C ATOM 254 CD LYS A 18 -8.438 -0.757 16.732 1.00 0.00 C ATOM 255 CE LYS A 18 -7.362 -0.076 17.579 1.00 0.00 C ATOM 256 NZ LYS A 18 -6.188 -0.964 17.727 1.00 0.00 N1+ ATOM 0 H LYS A 18 -10.798 1.995 15.389 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.610 -0.157 14.711 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.047 -1.506 16.171 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.340 -0.814 14.724 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.397 1.059 16.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.098 0.359 17.530 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.724 -1.698 17.201 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.025 -1.001 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.061 0.862 17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.765 0.172 18.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.465 -0.490 18.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.478 -1.848 18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.795 -1.180 16.788 1.00 0.00 H new ATOM 270 N ASN A 19 -13.792 1.260 16.859 1.00 0.00 N ATOM 271 CA ASN A 19 -14.577 1.410 18.055 1.00 0.00 C ATOM 272 C ASN A 19 -15.584 0.296 18.079 1.00 0.00 C ATOM 273 O ASN A 19 -15.942 -0.262 17.044 1.00 0.00 O ATOM 274 CB ASN A 19 -15.328 2.758 18.108 1.00 0.00 C ATOM 275 CG ASN A 19 -15.809 3.100 19.513 1.00 0.00 C ATOM 276 OD1 ASN A 19 -15.211 2.692 20.502 1.00 0.00 O ATOM 277 ND2 ASN A 19 -16.916 3.875 19.607 1.00 0.00 N ATOM 0 H ASN A 19 -14.072 1.864 16.086 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.906 1.380 18.913 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.672 3.551 17.748 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -16.183 2.721 17.433 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.278 4.138 20.524 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.387 4.196 18.761 1.00 0.00 H new ATOM 284 N ARG A 20 -16.077 -0.050 19.290 1.00 0.00 N ATOM 285 CA ARG A 20 -17.047 -1.113 19.428 1.00 0.00 C ATOM 286 C ARG A 20 -18.343 -0.692 18.783 1.00 0.00 C ATOM 287 O ARG A 20 -19.187 -1.526 18.466 1.00 0.00 O ATOM 288 CB ARG A 20 -17.326 -1.489 20.894 1.00 0.00 C ATOM 289 CG ARG A 20 -18.052 -0.393 21.676 1.00 0.00 C ATOM 290 CD ARG A 20 -18.276 -0.787 23.132 1.00 0.00 C ATOM 291 NE ARG A 20 -16.959 -0.778 23.837 1.00 0.00 N ATOM 292 CZ ARG A 20 -16.870 -1.179 25.140 1.00 0.00 C ATOM 293 NH1 ARG A 20 -17.987 -1.590 25.807 1.00 0.00 N1+ ATOM 294 NH2 ARG A 20 -15.661 -1.169 25.772 1.00 0.00 N ATOM 0 H ARG A 20 -15.810 0.398 20.167 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.625 -1.991 18.939 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.924 -2.400 20.920 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.381 -1.713 21.390 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.471 0.528 21.634 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.012 -0.186 21.204 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.966 -0.091 23.610 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.730 -1.776 23.191 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.121 -0.471 23.343 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.890 -1.598 25.333 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.919 -1.889 26.780 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.827 -0.863 25.272 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.592 -1.468 26.745 1.00 0.00 H new ATOM 308 N ALA A 21 -18.528 0.631 18.577 1.00 0.00 N ATOM 309 CA ALA A 21 -19.738 1.121 17.965 1.00 0.00 C ATOM 310 C ALA A 21 -19.602 0.998 16.468 1.00 0.00 C ATOM 311 O ALA A 21 -20.556 1.238 15.729 1.00 0.00 O ATOM 312 CB ALA A 21 -20.027 2.597 18.296 1.00 0.00 C ATOM 0 H ALA A 21 -17.853 1.353 18.829 1.00 0.00 H new ATOM 0 HA ALA A 21 -20.562 0.525 18.357 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.950 2.906 17.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.132 2.714 19.375 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.204 3.217 17.942 1.00 0.00 H new ATOM 318 N GLY A 22 -18.396 0.615 15.990 1.00 0.00 N ATOM 319 CA GLY A 22 -18.179 0.474 14.571 1.00 0.00 C ATOM 320 C GLY A 22 -17.670 1.781 14.049 1.00 0.00 C ATOM 321 O GLY A 22 -17.424 2.720 14.808 1.00 0.00 O ATOM 0 H GLY A 22 -17.584 0.406 16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.461 -0.321 14.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.107 0.198 14.069 1.00 0.00 H new ATOM 325 N SER A 23 -17.497 1.861 12.715 1.00 0.00 N ATOM 326 CA SER A 23 -17.009 3.073 12.103 1.00 0.00 C ATOM 327 C SER A 23 -18.185 3.709 11.425 1.00 0.00 C ATOM 328 O SER A 23 -18.935 3.044 10.714 1.00 0.00 O ATOM 329 CB SER A 23 -15.912 2.820 11.047 1.00 0.00 C ATOM 330 OG SER A 23 -15.457 4.049 10.489 1.00 0.00 O ATOM 0 H SER A 23 -17.690 1.101 12.063 1.00 0.00 H new ATOM 0 HA SER A 23 -16.563 3.701 12.874 1.00 0.00 H new ATOM 0 HB2 SER A 23 -15.076 2.291 11.504 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.302 2.178 10.257 1.00 0.00 H new ATOM 0 HG SER A 23 -14.761 3.868 9.823 1.00 0.00 H new ATOM 336 N SER A 24 -18.366 5.033 11.635 1.00 0.00 N ATOM 337 CA SER A 24 -19.485 5.733 11.042 1.00 0.00 C ATOM 338 C SER A 24 -19.273 5.823 9.559 1.00 0.00 C ATOM 339 O SER A 24 -18.144 5.876 9.075 1.00 0.00 O ATOM 340 CB SER A 24 -19.664 7.167 11.583 1.00 0.00 C ATOM 341 OG SER A 24 -19.965 7.132 12.972 1.00 0.00 O ATOM 0 H SER A 24 -17.751 5.615 12.205 1.00 0.00 H new ATOM 0 HA SER A 24 -20.380 5.166 11.297 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.754 7.744 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.465 7.671 11.042 1.00 0.00 H new ATOM 0 HG SER A 24 -20.075 8.047 13.306 1.00 0.00 H new ATOM 347 N ARG A 25 -20.393 5.864 8.801 1.00 0.00 N ATOM 348 CA ARG A 25 -20.334 5.941 7.359 1.00 0.00 C ATOM 349 C ARG A 25 -19.657 7.223 6.960 1.00 0.00 C ATOM 350 O ARG A 25 -18.840 7.246 6.036 1.00 0.00 O ATOM 351 CB ARG A 25 -21.736 5.918 6.721 1.00 0.00 C ATOM 352 CG ARG A 25 -21.703 5.984 5.189 1.00 0.00 C ATOM 353 CD ARG A 25 -23.086 5.772 4.563 1.00 0.00 C ATOM 354 NE ARG A 25 -23.982 6.878 5.014 1.00 0.00 N ATOM 355 CZ ARG A 25 -25.314 6.859 4.703 1.00 0.00 C ATOM 356 NH1 ARG A 25 -25.825 5.846 3.945 1.00 0.00 N1+ ATOM 357 NH2 ARG A 25 -26.128 7.858 5.149 1.00 0.00 N ATOM 0 H ARG A 25 -21.339 5.844 9.183 1.00 0.00 H new ATOM 0 HA ARG A 25 -19.779 5.072 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -22.253 5.009 7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -22.316 6.759 7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -21.312 6.953 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -21.016 5.227 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -23.013 5.763 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -23.494 4.807 4.863 1.00 0.00 H new ATOM 0 HE ARG A 25 -23.599 7.652 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -25.214 5.102 3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -26.818 5.833 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -25.743 8.616 5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -27.122 7.847 4.919 1.00 0.00 H new ATOM 371 N GLN A 26 -19.989 8.333 7.653 1.00 0.00 N ATOM 372 CA GLN A 26 -19.400 9.611 7.336 1.00 0.00 C ATOM 373 C GLN A 26 -17.921 9.538 7.596 1.00 0.00 C ATOM 374 O GLN A 26 -17.120 10.069 6.837 1.00 0.00 O ATOM 375 CB GLN A 26 -19.971 10.763 8.191 1.00 0.00 C ATOM 376 CG GLN A 26 -21.442 11.061 7.867 1.00 0.00 C ATOM 377 CD GLN A 26 -22.336 10.257 8.808 1.00 0.00 C ATOM 378 OE1 GLN A 26 -21.909 9.268 9.402 1.00 0.00 O ATOM 379 NE2 GLN A 26 -23.614 10.685 8.944 1.00 0.00 N ATOM 0 H GLN A 26 -20.656 8.351 8.424 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.627 9.819 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -19.879 10.508 9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -19.377 11.662 8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -21.643 12.127 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.658 10.802 6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.933 11.510 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.258 10.183 9.555 1.00 0.00 H new ATOM 388 N SER A 27 -17.530 8.856 8.689 1.00 0.00 N ATOM 389 CA SER A 27 -16.132 8.738 9.041 1.00 0.00 C ATOM 390 C SER A 27 -15.397 7.983 7.962 1.00 0.00 C ATOM 391 O SER A 27 -14.254 8.304 7.652 1.00 0.00 O ATOM 392 CB SER A 27 -15.901 8.002 10.371 1.00 0.00 C ATOM 393 OG SER A 27 -16.433 8.764 11.447 1.00 0.00 O ATOM 0 H SER A 27 -18.170 8.387 9.330 1.00 0.00 H new ATOM 0 HA SER A 27 -15.759 9.757 9.147 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.375 7.021 10.340 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.835 7.836 10.524 1.00 0.00 H new ATOM 0 HG SER A 27 -15.846 8.683 12.227 1.00 0.00 H new ATOM 399 N ILE A 28 -16.037 6.945 7.375 1.00 0.00 N ATOM 400 CA ILE A 28 -15.383 6.157 6.351 1.00 0.00 C ATOM 401 C ILE A 28 -15.022 7.033 5.177 1.00 0.00 C ATOM 402 O ILE A 28 -13.885 6.998 4.701 1.00 0.00 O ATOM 403 CB ILE A 28 -16.243 5.016 5.853 1.00 0.00 C ATOM 404 CG1 ILE A 28 -16.389 3.945 6.950 1.00 0.00 C ATOM 405 CG2 ILE A 28 -15.629 4.435 4.560 1.00 0.00 C ATOM 406 CD1 ILE A 28 -17.454 2.903 6.616 1.00 0.00 C ATOM 0 H ILE A 28 -16.988 6.652 7.600 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.490 5.733 6.809 1.00 0.00 H new ATOM 0 HB ILE A 28 -17.243 5.380 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.431 3.446 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.643 4.429 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -16.248 3.613 4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.581 5.213 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.624 4.068 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.514 2.173 7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -18.420 3.395 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.189 2.397 5.688 1.00 0.00 H new ATOM 418 N GLN A 29 -15.972 7.856 4.679 1.00 0.00 N ATOM 419 CA GLN A 29 -15.670 8.694 3.541 1.00 0.00 C ATOM 420 C GLN A 29 -14.739 9.809 3.952 1.00 0.00 C ATOM 421 O GLN A 29 -13.885 10.212 3.171 1.00 0.00 O ATOM 422 CB GLN A 29 -16.912 9.307 2.860 1.00 0.00 C ATOM 423 CG GLN A 29 -17.902 9.948 3.844 1.00 0.00 C ATOM 424 CD GLN A 29 -18.975 10.681 3.047 1.00 0.00 C ATOM 425 OE1 GLN A 29 -19.274 11.842 3.310 1.00 0.00 O ATOM 426 NE2 GLN A 29 -19.571 9.990 2.044 1.00 0.00 N ATOM 0 H GLN A 29 -16.920 7.944 5.046 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.200 8.036 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.587 10.060 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.427 8.530 2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.356 9.184 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.382 10.641 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -19.296 9.026 1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.294 10.434 1.478 1.00 0.00 H new ATOM 435 N LYS A 30 -14.880 10.345 5.190 1.00 0.00 N ATOM 436 CA LYS A 30 -14.014 11.424 5.624 1.00 0.00 C ATOM 437 C LYS A 30 -12.595 10.929 5.716 1.00 0.00 C ATOM 438 O LYS A 30 -11.660 11.642 5.349 1.00 0.00 O ATOM 439 CB LYS A 30 -14.404 12.015 6.995 1.00 0.00 C ATOM 440 CG LYS A 30 -15.682 12.858 6.930 1.00 0.00 C ATOM 441 CD LYS A 30 -16.172 13.293 8.315 1.00 0.00 C ATOM 442 CE LYS A 30 -15.225 14.289 8.989 1.00 0.00 C ATOM 443 NZ LYS A 30 -15.784 14.731 10.287 1.00 0.00 N1+ ATOM 0 H LYS A 30 -15.572 10.044 5.876 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.120 12.213 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.544 11.204 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.585 12.631 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.499 13.742 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.466 12.285 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.160 13.743 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.281 12.414 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.250 13.827 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.070 15.151 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.132 15.407 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.704 15.190 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.909 13.907 10.909 1.00 0.00 H new ATOM 457 N TYR A 31 -12.395 9.695 6.230 1.00 0.00 N ATOM 458 CA TYR A 31 -11.060 9.150 6.348 1.00 0.00 C ATOM 459 C TYR A 31 -10.452 9.041 4.976 1.00 0.00 C ATOM 460 O TYR A 31 -9.334 9.485 4.744 1.00 0.00 O ATOM 461 CB TYR A 31 -11.034 7.742 6.984 1.00 0.00 C ATOM 462 CG TYR A 31 -9.684 7.092 6.973 1.00 0.00 C ATOM 463 CD1 TYR A 31 -8.756 7.371 7.953 1.00 0.00 C ATOM 464 CD2 TYR A 31 -9.346 6.211 5.966 1.00 0.00 C ATOM 465 CE1 TYR A 31 -7.512 6.780 7.925 1.00 0.00 C ATOM 466 CE2 TYR A 31 -8.105 5.621 5.939 1.00 0.00 C ATOM 467 CZ TYR A 31 -7.189 5.906 6.917 1.00 0.00 C ATOM 468 OH TYR A 31 -5.915 5.301 6.890 1.00 0.00 O ATOM 0 H TYR A 31 -13.139 9.080 6.560 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.501 9.826 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -11.383 7.814 8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -11.738 7.102 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.006 8.058 8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.064 5.983 5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.790 7.004 8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.852 4.932 5.146 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.850 4.709 6.111 1.00 0.00 H new ATOM 478 N ILE A 32 -11.197 8.443 4.030 1.00 0.00 N ATOM 479 CA ILE A 32 -10.679 8.258 2.699 1.00 0.00 C ATOM 480 C ILE A 32 -10.451 9.600 2.051 1.00 0.00 C ATOM 481 O ILE A 32 -9.434 9.809 1.416 1.00 0.00 O ATOM 482 CB ILE A 32 -11.588 7.434 1.826 1.00 0.00 C ATOM 483 CG1 ILE A 32 -11.631 5.988 2.352 1.00 0.00 C ATOM 484 CG2 ILE A 32 -11.074 7.498 0.373 1.00 0.00 C ATOM 485 CD1 ILE A 32 -12.686 5.141 1.649 1.00 0.00 C ATOM 0 H ILE A 32 -12.143 8.091 4.176 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.740 7.713 2.798 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.605 7.826 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.652 5.527 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.834 6.000 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.725 6.905 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.074 8.533 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.060 7.101 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.673 4.131 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.670 5.583 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.470 5.103 0.581 1.00 0.00 H new ATOM 497 N LYS A 33 -11.398 10.542 2.207 1.00 0.00 N ATOM 498 CA LYS A 33 -11.268 11.843 1.584 1.00 0.00 C ATOM 499 C LYS A 33 -10.063 12.587 2.121 1.00 0.00 C ATOM 500 O LYS A 33 -9.357 13.254 1.367 1.00 0.00 O ATOM 501 CB LYS A 33 -12.510 12.730 1.810 1.00 0.00 C ATOM 502 CG LYS A 33 -12.412 14.093 1.117 1.00 0.00 C ATOM 503 CD LYS A 33 -13.667 14.947 1.325 1.00 0.00 C ATOM 504 CE LYS A 33 -13.567 16.310 0.639 1.00 0.00 C ATOM 505 NZ LYS A 33 -14.806 17.088 0.861 1.00 0.00 N1+ ATOM 0 H LYS A 33 -12.248 10.416 2.756 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.154 11.651 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.394 12.207 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.650 12.883 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.544 14.630 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.251 13.944 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.535 14.412 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.831 15.092 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.710 16.859 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.400 16.176 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.725 18.012 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.617 16.569 0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.948 17.231 1.881 1.00 0.00 H new ATOM 519 N SER A 34 -9.802 12.510 3.443 1.00 0.00 N ATOM 520 CA SER A 34 -8.694 13.255 4.012 1.00 0.00 C ATOM 521 C SER A 34 -7.380 12.522 3.860 1.00 0.00 C ATOM 522 O SER A 34 -6.325 13.139 4.003 1.00 0.00 O ATOM 523 CB SER A 34 -8.898 13.573 5.507 1.00 0.00 C ATOM 524 OG SER A 34 -9.000 12.373 6.269 1.00 0.00 O ATOM 0 H SER A 34 -10.336 11.951 4.109 1.00 0.00 H new ATOM 0 HA SER A 34 -8.662 14.188 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.064 14.172 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.801 14.170 5.637 1.00 0.00 H new ATOM 0 HG SER A 34 -9.867 11.949 6.097 1.00 0.00 H new ATOM 530 N HIS A 35 -7.388 11.203 3.565 1.00 0.00 N ATOM 531 CA HIS A 35 -6.129 10.485 3.440 1.00 0.00 C ATOM 532 C HIS A 35 -5.840 10.187 1.993 1.00 0.00 C ATOM 533 O HIS A 35 -4.683 10.015 1.616 1.00 0.00 O ATOM 534 CB HIS A 35 -6.111 9.155 4.220 1.00 0.00 C ATOM 535 CG HIS A 35 -5.973 9.343 5.707 1.00 0.00 C ATOM 536 ND1 HIS A 35 -4.753 9.103 6.321 1.00 0.00 N ATOM 537 CD2 HIS A 35 -6.894 9.751 6.626 1.00 0.00 C ATOM 538 CE1 HIS A 35 -4.965 9.372 7.598 1.00 0.00 C ATOM 539 NE2 HIS A 35 -6.238 9.767 7.837 1.00 0.00 N ATOM 0 H HIS A 35 -8.227 10.642 3.416 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.367 11.138 3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.030 8.607 4.013 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.286 8.541 3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.927 10.009 6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.208 9.286 8.364 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.635 10.026 8.740 1.00 0.00 H new ATOM 546 N TYR A 36 -6.882 10.115 1.145 1.00 0.00 N ATOM 547 CA TYR A 36 -6.677 9.824 -0.253 1.00 0.00 C ATOM 548 C TYR A 36 -7.415 10.874 -1.034 1.00 0.00 C ATOM 549 O TYR A 36 -8.437 11.389 -0.590 1.00 0.00 O ATOM 550 CB TYR A 36 -7.222 8.439 -0.673 1.00 0.00 C ATOM 551 CG TYR A 36 -6.572 7.288 0.037 1.00 0.00 C ATOM 552 CD1 TYR A 36 -7.209 6.641 1.085 1.00 0.00 C ATOM 553 CD2 TYR A 36 -5.322 6.855 -0.349 1.00 0.00 C ATOM 554 CE1 TYR A 36 -6.600 5.588 1.726 1.00 0.00 C ATOM 555 CE2 TYR A 36 -4.717 5.801 0.294 1.00 0.00 C ATOM 556 CZ TYR A 36 -5.356 5.168 1.330 1.00 0.00 C ATOM 557 OH TYR A 36 -4.734 4.086 1.989 1.00 0.00 O ATOM 0 H TYR A 36 -7.856 10.255 1.415 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.604 9.819 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.295 8.410 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.083 8.316 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.190 6.966 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.813 7.348 -1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.102 5.091 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.737 5.471 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.858 3.916 1.584 1.00 0.00 H new ATOM 567 N LYS A 37 -6.913 11.215 -2.239 1.00 0.00 N ATOM 568 CA LYS A 37 -7.574 12.225 -3.032 1.00 0.00 C ATOM 569 C LYS A 37 -8.695 11.551 -3.768 1.00 0.00 C ATOM 570 O LYS A 37 -8.476 10.628 -4.551 1.00 0.00 O ATOM 571 CB LYS A 37 -6.642 12.892 -4.065 1.00 0.00 C ATOM 572 CG LYS A 37 -7.334 14.002 -4.861 1.00 0.00 C ATOM 573 CD LYS A 37 -6.392 14.678 -5.862 1.00 0.00 C ATOM 574 CE LYS A 37 -7.083 15.785 -6.659 1.00 0.00 C ATOM 575 NZ LYS A 37 -6.128 16.411 -7.601 1.00 0.00 N1+ ATOM 0 H LYS A 37 -6.076 10.810 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.920 13.011 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.775 13.307 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.271 12.134 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.188 13.584 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.724 14.750 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.539 15.097 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.000 13.929 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.929 15.373 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.481 16.538 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.610 17.161 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.334 16.821 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.769 15.691 -8.260 1.00 0.00 H new ATOM 589 N VAL A 38 -9.941 12.018 -3.528 1.00 0.00 N ATOM 590 CA VAL A 38 -11.083 11.430 -4.178 1.00 0.00 C ATOM 591 C VAL A 38 -11.928 12.549 -4.710 1.00 0.00 C ATOM 592 O VAL A 38 -11.856 13.682 -4.235 1.00 0.00 O ATOM 593 CB VAL A 38 -11.928 10.586 -3.250 1.00 0.00 C ATOM 594 CG1 VAL A 38 -11.069 9.412 -2.748 1.00 0.00 C ATOM 595 CG2 VAL A 38 -12.450 11.466 -2.097 1.00 0.00 C ATOM 0 H VAL A 38 -10.157 12.789 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.719 10.769 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.798 10.177 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.660 8.790 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.737 8.815 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.201 9.799 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.060 10.862 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.606 11.882 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.053 12.278 -2.503 1.00 0.00 H new ATOM 605 N GLY A 39 -12.759 12.240 -5.732 1.00 0.00 N ATOM 606 CA GLY A 39 -13.621 13.239 -6.314 1.00 0.00 C ATOM 607 C GLY A 39 -15.010 12.998 -5.805 1.00 0.00 C ATOM 608 O GLY A 39 -15.249 12.099 -5.001 1.00 0.00 O ATOM 0 H GLY A 39 -12.835 11.313 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.283 14.239 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.597 13.178 -7.402 1.00 0.00 H new ATOM 612 N GLU A 40 -15.975 13.816 -6.283 1.00 0.00 N ATOM 613 CA GLU A 40 -17.351 13.676 -5.857 1.00 0.00 C ATOM 614 C GLU A 40 -17.880 12.353 -6.344 1.00 0.00 C ATOM 615 O GLU A 40 -18.590 11.653 -5.621 1.00 0.00 O ATOM 616 CB GLU A 40 -18.262 14.793 -6.406 1.00 0.00 C ATOM 617 CG GLU A 40 -19.712 14.684 -5.906 1.00 0.00 C ATOM 618 CD GLU A 40 -20.519 15.858 -6.451 1.00 0.00 C ATOM 619 OE1 GLU A 40 -19.932 16.694 -7.188 1.00 0.00 O ATOM 620 OE2 GLU A 40 -21.735 15.933 -6.134 1.00 0.00 O1- ATOM 0 H GLU A 40 -15.811 14.566 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 40 -17.361 13.740 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.855 15.762 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -18.255 14.758 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -20.152 13.742 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -19.735 14.686 -4.816 1.00 0.00 H new ATOM 627 N ASN A 41 -17.547 11.983 -7.602 1.00 0.00 N ATOM 628 CA ASN A 41 -18.018 10.732 -8.160 1.00 0.00 C ATOM 629 C ASN A 41 -17.432 9.596 -7.365 1.00 0.00 C ATOM 630 O ASN A 41 -18.103 8.600 -7.101 1.00 0.00 O ATOM 631 CB ASN A 41 -17.613 10.537 -9.635 1.00 0.00 C ATOM 632 CG ASN A 41 -18.381 11.464 -10.565 1.00 0.00 C ATOM 633 OD1 ASN A 41 -19.434 11.985 -10.214 1.00 0.00 O ATOM 634 ND2 ASN A 41 -17.846 11.675 -11.792 1.00 0.00 N ATOM 0 H ASN A 41 -16.962 12.536 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.107 10.751 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.544 10.719 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -17.792 9.502 -9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -18.321 12.284 -12.458 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.968 11.225 -12.050 1.00 0.00 H new ATOM 641 N ALA A 42 -16.147 9.727 -6.970 1.00 0.00 N ATOM 642 CA ALA A 42 -15.491 8.690 -6.205 1.00 0.00 C ATOM 643 C ALA A 42 -16.181 8.549 -4.877 1.00 0.00 C ATOM 644 O ALA A 42 -16.361 7.443 -4.390 1.00 0.00 O ATOM 645 CB ALA A 42 -14.005 8.986 -5.946 1.00 0.00 C ATOM 0 H ALA A 42 -15.564 10.538 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.552 7.774 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.567 8.172 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.481 9.078 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.911 9.918 -5.389 1.00 0.00 H new ATOM 651 N ASP A 43 -16.593 9.681 -4.264 1.00 0.00 N ATOM 652 CA ASP A 43 -17.253 9.636 -2.976 1.00 0.00 C ATOM 653 C ASP A 43 -18.520 8.826 -3.107 1.00 0.00 C ATOM 654 O ASP A 43 -18.842 8.020 -2.235 1.00 0.00 O ATOM 655 CB ASP A 43 -17.621 11.045 -2.456 1.00 0.00 C ATOM 656 CG ASP A 43 -18.154 11.022 -1.030 1.00 0.00 C ATOM 657 OD1 ASP A 43 -17.324 11.116 -0.089 1.00 0.00 O ATOM 658 OD2 ASP A 43 -19.399 10.913 -0.867 1.00 0.00 O1- ATOM 0 H ASP A 43 -16.474 10.618 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.562 9.185 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.741 11.686 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -18.370 11.486 -3.113 1.00 0.00 H new ATOM 663 N SER A 44 -19.272 9.035 -4.208 1.00 0.00 N ATOM 664 CA SER A 44 -20.501 8.298 -4.417 1.00 0.00 C ATOM 665 C SER A 44 -20.171 6.840 -4.604 1.00 0.00 C ATOM 666 O SER A 44 -20.881 5.964 -4.112 1.00 0.00 O ATOM 667 CB SER A 44 -21.286 8.766 -5.656 1.00 0.00 C ATOM 668 OG SER A 44 -21.743 10.102 -5.472 1.00 0.00 O ATOM 0 H SER A 44 -19.041 9.700 -4.946 1.00 0.00 H new ATOM 0 HA SER A 44 -21.125 8.471 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 44 -20.651 8.709 -6.540 1.00 0.00 H new ATOM 0 HB3 SER A 44 -22.135 8.104 -5.830 1.00 0.00 H new ATOM 0 HG SER A 44 -22.239 10.390 -6.266 1.00 0.00 H new ATOM 674 N GLN A 45 -19.071 6.551 -5.333 1.00 0.00 N ATOM 675 CA GLN A 45 -18.676 5.184 -5.595 1.00 0.00 C ATOM 676 C GLN A 45 -18.281 4.520 -4.301 1.00 0.00 C ATOM 677 O GLN A 45 -18.515 3.329 -4.111 1.00 0.00 O ATOM 678 CB GLN A 45 -17.505 5.073 -6.589 1.00 0.00 C ATOM 679 CG GLN A 45 -17.245 3.625 -7.024 1.00 0.00 C ATOM 680 CD GLN A 45 -16.295 3.636 -8.211 1.00 0.00 C ATOM 681 OE1 GLN A 45 -15.389 4.461 -8.297 1.00 0.00 O ATOM 682 NE2 GLN A 45 -16.512 2.699 -9.167 1.00 0.00 N ATOM 0 H GLN A 45 -18.455 7.255 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 45 -19.535 4.689 -6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -17.719 5.681 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -16.603 5.480 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.815 3.055 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -18.182 3.138 -7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.274 2.030 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.913 2.663 -9.992 1.00 0.00 H new ATOM 691 N ILE A 46 -17.638 5.277 -3.384 1.00 0.00 N ATOM 692 CA ILE A 46 -17.222 4.721 -2.113 1.00 0.00 C ATOM 693 C ILE A 46 -18.440 4.244 -1.372 1.00 0.00 C ATOM 694 O ILE A 46 -18.440 3.154 -0.805 1.00 0.00 O ATOM 695 CB ILE A 46 -16.498 5.719 -1.242 1.00 0.00 C ATOM 696 CG1 ILE A 46 -15.119 6.046 -1.847 1.00 0.00 C ATOM 697 CG2 ILE A 46 -16.379 5.138 0.185 1.00 0.00 C ATOM 698 CD1 ILE A 46 -14.473 7.276 -1.213 1.00 0.00 C ATOM 0 H ILE A 46 -17.406 6.262 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 46 -16.530 3.906 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 46 -17.056 6.654 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.459 5.188 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.227 6.210 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -15.857 5.849 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -17.375 4.951 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -15.820 4.203 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.504 7.459 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -15.117 8.143 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.336 7.106 -0.145 1.00 0.00 H new ATOM 710 N LYS A 47 -19.524 5.053 -1.368 1.00 0.00 N ATOM 711 CA LYS A 47 -20.727 4.665 -0.669 1.00 0.00 C ATOM 712 C LYS A 47 -21.270 3.407 -1.295 1.00 0.00 C ATOM 713 O LYS A 47 -21.730 2.505 -0.596 1.00 0.00 O ATOM 714 CB LYS A 47 -21.832 5.738 -0.724 1.00 0.00 C ATOM 715 CG LYS A 47 -21.498 6.969 0.123 1.00 0.00 C ATOM 716 CD LYS A 47 -22.518 8.099 -0.049 1.00 0.00 C ATOM 717 CE LYS A 47 -23.892 7.750 0.527 1.00 0.00 C ATOM 718 NZ LYS A 47 -24.810 8.903 0.400 1.00 0.00 N1+ ATOM 0 H LYS A 47 -19.572 5.957 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 47 -20.454 4.520 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -21.985 6.044 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -22.771 5.306 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -21.454 6.681 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.508 7.334 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.142 8.999 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.622 8.331 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -24.305 6.888 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.794 7.469 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -25.739 8.652 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.421 9.716 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.917 9.153 -0.604 1.00 0.00 H new ATOM 732 N LEU A 48 -21.221 3.316 -2.644 1.00 0.00 N ATOM 733 CA LEU A 48 -21.721 2.142 -3.328 1.00 0.00 C ATOM 734 C LEU A 48 -20.876 0.955 -2.946 1.00 0.00 C ATOM 735 O LEU A 48 -21.389 -0.142 -2.740 1.00 0.00 O ATOM 736 CB LEU A 48 -21.665 2.267 -4.865 1.00 0.00 C ATOM 737 CG LEU A 48 -22.661 3.295 -5.427 1.00 0.00 C ATOM 738 CD1 LEU A 48 -22.399 3.555 -6.921 1.00 0.00 C ATOM 739 CD2 LEU A 48 -24.116 2.861 -5.185 1.00 0.00 C ATOM 0 H LEU A 48 -20.843 4.039 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.763 2.027 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -20.655 2.549 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -21.869 1.293 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.507 4.231 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -23.117 4.285 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.388 3.940 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -22.507 2.624 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -24.792 3.611 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -24.296 1.904 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.292 2.760 -4.114 1.00 0.00 H new ATOM 751 N SER A 49 -19.543 1.159 -2.850 1.00 0.00 N ATOM 752 CA SER A 49 -18.643 0.078 -2.514 1.00 0.00 C ATOM 753 C SER A 49 -18.922 -0.395 -1.112 1.00 0.00 C ATOM 754 O SER A 49 -18.922 -1.594 -0.850 1.00 0.00 O ATOM 755 CB SER A 49 -17.160 0.488 -2.583 1.00 0.00 C ATOM 756 OG SER A 49 -16.805 0.814 -3.921 1.00 0.00 O ATOM 0 H SER A 49 -19.088 2.059 -3.002 1.00 0.00 H new ATOM 0 HA SER A 49 -18.817 -0.708 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.981 1.344 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.532 -0.326 -2.220 1.00 0.00 H new ATOM 0 HG SER A 49 -17.259 1.641 -4.188 1.00 0.00 H new ATOM 762 N ILE A 50 -19.161 0.547 -0.171 1.00 0.00 N ATOM 763 CA ILE A 50 -19.429 0.168 1.202 1.00 0.00 C ATOM 764 C ILE A 50 -20.701 -0.639 1.237 1.00 0.00 C ATOM 765 O ILE A 50 -20.769 -1.683 1.887 1.00 0.00 O ATOM 766 CB ILE A 50 -19.587 1.355 2.124 1.00 0.00 C ATOM 767 CG1 ILE A 50 -18.248 2.091 2.294 1.00 0.00 C ATOM 768 CG2 ILE A 50 -20.131 0.856 3.478 1.00 0.00 C ATOM 769 CD1 ILE A 50 -18.420 3.461 2.947 1.00 0.00 C ATOM 0 H ILE A 50 -19.170 1.551 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.572 -0.406 1.554 1.00 0.00 H new ATOM 0 HB ILE A 50 -20.292 2.068 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -17.576 1.483 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -17.776 2.212 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.251 1.701 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -21.096 0.373 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -19.431 0.141 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -17.447 3.942 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -19.070 4.080 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.867 3.340 3.934 1.00 0.00 H new ATOM 781 N LYS A 51 -21.745 -0.168 0.518 1.00 0.00 N ATOM 782 CA LYS A 51 -23.012 -0.870 0.499 1.00 0.00 C ATOM 783 C LYS A 51 -22.832 -2.228 -0.130 1.00 0.00 C ATOM 784 O LYS A 51 -23.433 -3.205 0.313 1.00 0.00 O ATOM 785 CB LYS A 51 -24.107 -0.124 -0.285 1.00 0.00 C ATOM 786 CG LYS A 51 -24.580 1.143 0.431 1.00 0.00 C ATOM 787 CD LYS A 51 -25.668 1.880 -0.347 1.00 0.00 C ATOM 788 CE LYS A 51 -26.151 3.142 0.369 1.00 0.00 C ATOM 789 NZ LYS A 51 -27.197 3.818 -0.430 1.00 0.00 N1+ ATOM 0 H LYS A 51 -21.720 0.684 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 51 -23.334 -0.948 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -23.727 0.141 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -24.957 -0.789 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.959 0.879 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.731 1.810 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -25.286 2.149 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -26.513 1.210 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -26.545 2.882 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.313 3.820 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.516 4.673 0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.809 4.082 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -28.003 3.174 -0.563 1.00 0.00 H new ATOM 803 N ARG A 52 -22.010 -2.318 -1.200 1.00 0.00 N ATOM 804 CA ARG A 52 -21.796 -3.587 -1.864 1.00 0.00 C ATOM 805 C ARG A 52 -21.125 -4.547 -0.917 1.00 0.00 C ATOM 806 O ARG A 52 -21.453 -5.731 -0.888 1.00 0.00 O ATOM 807 CB ARG A 52 -20.908 -3.486 -3.113 1.00 0.00 C ATOM 808 CG ARG A 52 -20.777 -4.828 -3.838 1.00 0.00 C ATOM 809 CD ARG A 52 -19.856 -4.742 -5.050 1.00 0.00 C ATOM 810 NE ARG A 52 -19.819 -6.077 -5.722 1.00 0.00 N ATOM 811 CZ ARG A 52 -18.992 -7.067 -5.268 1.00 0.00 C ATOM 812 NH1 ARG A 52 -18.180 -6.848 -4.192 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 -18.979 -8.280 -5.893 1.00 0.00 N ATOM 0 H ARG A 52 -21.500 -1.532 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 52 -22.783 -3.930 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -21.326 -2.746 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.918 -3.132 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.394 -5.577 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -21.764 -5.164 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.214 -3.980 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.853 -4.447 -4.742 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.418 -6.252 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.188 -5.942 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.565 -7.590 -3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.585 -8.446 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.363 -9.020 -5.557 1.00 0.00 H new ATOM 827 N LEU A 53 -20.140 -4.062 -0.131 1.00 0.00 N ATOM 828 CA LEU A 53 -19.447 -4.933 0.791 1.00 0.00 C ATOM 829 C LEU A 53 -20.431 -5.455 1.807 1.00 0.00 C ATOM 830 O LEU A 53 -20.362 -6.617 2.203 1.00 0.00 O ATOM 831 CB LEU A 53 -18.296 -4.237 1.538 1.00 0.00 C ATOM 832 CG LEU A 53 -17.090 -3.933 0.632 1.00 0.00 C ATOM 833 CD1 LEU A 53 -16.078 -3.019 1.342 1.00 0.00 C ATOM 834 CD2 LEU A 53 -16.416 -5.227 0.139 1.00 0.00 C ATOM 0 H LEU A 53 -19.825 -3.092 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 53 -19.011 -5.738 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -18.662 -3.306 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -17.972 -4.869 2.365 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.464 -3.402 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -15.237 -2.822 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -16.560 -2.078 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.718 -3.508 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.568 -4.976 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.068 -5.805 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.134 -5.818 -0.429 1.00 0.00 H new ATOM 846 N VAL A 54 -21.364 -4.590 2.266 1.00 0.00 N ATOM 847 CA VAL A 54 -22.363 -5.013 3.231 1.00 0.00 C ATOM 848 C VAL A 54 -23.247 -6.031 2.561 1.00 0.00 C ATOM 849 O VAL A 54 -23.638 -7.032 3.159 1.00 0.00 O ATOM 850 CB VAL A 54 -23.224 -3.875 3.720 1.00 0.00 C ATOM 851 CG1 VAL A 54 -24.367 -4.447 4.582 1.00 0.00 C ATOM 852 CG2 VAL A 54 -22.333 -2.895 4.503 1.00 0.00 C ATOM 0 H VAL A 54 -21.433 -3.613 1.980 1.00 0.00 H new ATOM 0 HA VAL A 54 -21.844 -5.421 4.098 1.00 0.00 H new ATOM 0 HB VAL A 54 -23.679 -3.331 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -24.995 -3.632 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -24.967 -5.131 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -23.947 -4.983 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -22.938 -2.064 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.881 -3.411 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -21.548 -2.515 3.849 1.00 0.00 H new ATOM 862 N THR A 55 -23.582 -5.774 1.276 1.00 0.00 N ATOM 863 CA THR A 55 -24.428 -6.664 0.504 1.00 0.00 C ATOM 864 C THR A 55 -23.764 -8.010 0.383 1.00 0.00 C ATOM 865 O THR A 55 -24.418 -9.046 0.494 1.00 0.00 O ATOM 866 CB THR A 55 -24.680 -6.142 -0.891 1.00 0.00 C ATOM 867 OG1 THR A 55 -25.410 -4.924 -0.831 1.00 0.00 O ATOM 868 CG2 THR A 55 -25.449 -7.191 -1.704 1.00 0.00 C ATOM 0 H THR A 55 -23.269 -4.949 0.765 1.00 0.00 H new ATOM 0 HA THR A 55 -25.381 -6.737 1.028 1.00 0.00 H new ATOM 0 HB THR A 55 -23.726 -5.948 -1.381 1.00 0.00 H new ATOM 0 HG1 THR A 55 -24.844 -4.222 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.629 -6.811 -2.710 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.863 -8.108 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 55 -26.402 -7.400 -1.219 1.00 0.00 H new ATOM 876 N THR A 56 -22.434 -8.023 0.148 1.00 0.00 N ATOM 877 CA THR A 56 -21.715 -9.271 0.001 1.00 0.00 C ATOM 878 C THR A 56 -21.658 -9.944 1.346 1.00 0.00 C ATOM 879 O THR A 56 -21.585 -11.169 1.436 1.00 0.00 O ATOM 880 CB THR A 56 -20.301 -9.079 -0.491 1.00 0.00 C ATOM 881 OG1 THR A 56 -20.309 -8.388 -1.734 1.00 0.00 O ATOM 882 CG2 THR A 56 -19.634 -10.454 -0.669 1.00 0.00 C ATOM 0 H THR A 56 -21.858 -7.186 0.060 1.00 0.00 H new ATOM 0 HA THR A 56 -22.244 -9.871 -0.740 1.00 0.00 H new ATOM 0 HB THR A 56 -19.742 -8.492 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 56 -20.668 -7.486 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.612 -10.320 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.620 -10.978 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.197 -11.040 -1.396 1.00 0.00 H new ATOM 890 N GLY A 57 -21.699 -9.145 2.432 1.00 0.00 N ATOM 891 CA GLY A 57 -21.653 -9.703 3.765 1.00 0.00 C ATOM 892 C GLY A 57 -20.244 -9.632 4.269 1.00 0.00 C ATOM 893 O GLY A 57 -19.951 -10.084 5.373 1.00 0.00 O ATOM 0 H GLY A 57 -21.763 -8.128 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -22.319 -9.152 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -21.998 -10.737 3.754 1.00 0.00 H new ATOM 897 N VAL A 58 -19.324 -9.067 3.454 1.00 0.00 N ATOM 898 CA VAL A 58 -17.946 -8.944 3.868 1.00 0.00 C ATOM 899 C VAL A 58 -17.900 -7.962 5.009 1.00 0.00 C ATOM 900 O VAL A 58 -17.205 -8.174 6.003 1.00 0.00 O ATOM 901 CB VAL A 58 -17.041 -8.441 2.769 1.00 0.00 C ATOM 902 CG1 VAL A 58 -15.642 -8.167 3.357 1.00 0.00 C ATOM 903 CG2 VAL A 58 -17.008 -9.493 1.647 1.00 0.00 C ATOM 0 H VAL A 58 -19.526 -8.700 2.524 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.589 -9.934 4.151 1.00 0.00 H new ATOM 0 HB VAL A 58 -17.408 -7.506 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.981 -7.803 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -15.718 -7.416 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -15.236 -9.088 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.358 -9.147 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -16.626 -10.434 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.016 -9.644 1.260 1.00 0.00 H new ATOM 913 N LEU A 59 -18.657 -6.851 4.875 1.00 0.00 N ATOM 914 CA LEU A 59 -18.682 -5.849 5.908 1.00 0.00 C ATOM 915 C LEU A 59 -19.863 -6.142 6.785 1.00 0.00 C ATOM 916 O LEU A 59 -20.941 -6.497 6.309 1.00 0.00 O ATOM 917 CB LEU A 59 -18.834 -4.414 5.355 1.00 0.00 C ATOM 918 CG LEU A 59 -17.498 -3.651 5.252 1.00 0.00 C ATOM 919 CD1 LEU A 59 -17.150 -2.946 6.573 1.00 0.00 C ATOM 920 CD2 LEU A 59 -16.344 -4.560 4.790 1.00 0.00 C ATOM 0 H LEU A 59 -19.243 -6.647 4.066 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.734 -5.890 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -19.294 -4.460 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.514 -3.855 5.998 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.632 -2.886 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.203 -2.418 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.936 -2.233 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.064 -3.686 7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.424 -3.979 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.215 -5.374 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.576 -4.971 3.807 1.00 0.00 H new ATOM 932 N LYS A 60 -19.673 -5.984 8.110 1.00 0.00 N ATOM 933 CA LYS A 60 -20.734 -6.233 9.047 1.00 0.00 C ATOM 934 C LYS A 60 -21.564 -4.987 9.149 1.00 0.00 C ATOM 935 O LYS A 60 -21.072 -3.870 8.978 1.00 0.00 O ATOM 936 CB LYS A 60 -20.220 -6.620 10.445 1.00 0.00 C ATOM 937 CG LYS A 60 -19.804 -8.089 10.529 1.00 0.00 C ATOM 938 CD LYS A 60 -19.161 -8.433 11.875 1.00 0.00 C ATOM 939 CE LYS A 60 -18.913 -9.933 12.044 1.00 0.00 C ATOM 940 NZ LYS A 60 -18.273 -10.205 13.350 1.00 0.00 N1+ ATOM 0 H LYS A 60 -18.793 -5.686 8.532 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.317 -7.078 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.369 -5.989 10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.998 -6.423 11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.678 -8.722 10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.102 -8.312 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -18.215 -7.900 11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -19.805 -8.082 12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.856 -10.474 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.277 -10.296 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.111 -11.227 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.364 -9.703 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.894 -9.876 14.116 1.00 0.00 H new ATOM 954 N GLN A 61 -22.862 -5.172 9.456 1.00 0.00 N ATOM 955 CA GLN A 61 -23.778 -4.064 9.542 1.00 0.00 C ATOM 956 C GLN A 61 -23.978 -3.742 10.992 1.00 0.00 C ATOM 957 O GLN A 61 -24.111 -4.633 11.831 1.00 0.00 O ATOM 958 CB GLN A 61 -25.154 -4.382 8.918 1.00 0.00 C ATOM 959 CG GLN A 61 -26.114 -3.182 8.928 1.00 0.00 C ATOM 960 CD GLN A 61 -27.429 -3.610 8.290 1.00 0.00 C ATOM 961 OE1 GLN A 61 -28.082 -4.540 8.753 1.00 0.00 O ATOM 962 NE2 GLN A 61 -27.831 -2.919 7.197 1.00 0.00 N ATOM 0 H GLN A 61 -23.280 -6.083 9.645 1.00 0.00 H new ATOM 0 HA GLN A 61 -23.351 -3.228 8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -25.011 -4.717 7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -25.610 -5.209 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -26.282 -2.840 9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -25.681 -2.346 8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -27.261 -2.151 6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -28.703 -3.166 6.730 1.00 0.00 H new ATOM 971 N THR A 62 -24.000 -2.431 11.312 1.00 0.00 N ATOM 972 CA THR A 62 -24.179 -1.997 12.674 1.00 0.00 C ATOM 973 C THR A 62 -25.381 -1.097 12.690 1.00 0.00 C ATOM 974 O THR A 62 -25.850 -0.646 11.646 1.00 0.00 O ATOM 975 CB THR A 62 -22.997 -1.231 13.213 1.00 0.00 C ATOM 976 OG1 THR A 62 -21.793 -1.870 12.822 1.00 0.00 O ATOM 977 CG2 THR A 62 -23.072 -1.174 14.749 1.00 0.00 C ATOM 0 H THR A 62 -23.895 -1.675 10.636 1.00 0.00 H new ATOM 0 HA THR A 62 -24.297 -2.878 13.305 1.00 0.00 H new ATOM 0 HB THR A 62 -23.015 -0.218 12.812 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.187 -1.210 12.425 1.00 0.00 H new ATOM 0 HG21 THR A 62 -22.216 -0.620 15.135 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.993 -0.675 15.050 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.060 -2.187 15.152 1.00 0.00 H new ATOM 985 N LYS A 63 -25.920 -0.845 13.900 1.00 0.00 N ATOM 986 CA LYS A 63 -27.094 -0.014 14.066 1.00 0.00 C ATOM 987 C LYS A 63 -26.842 1.378 13.554 1.00 0.00 C ATOM 988 O LYS A 63 -25.727 1.749 13.183 1.00 0.00 O ATOM 989 CB LYS A 63 -27.492 0.131 15.542 1.00 0.00 C ATOM 990 CG LYS A 63 -26.379 0.776 16.378 1.00 0.00 C ATOM 991 CD LYS A 63 -26.762 0.947 17.854 1.00 0.00 C ATOM 992 CE LYS A 63 -27.929 1.916 18.065 1.00 0.00 C ATOM 993 NZ LYS A 63 -27.556 3.281 17.630 1.00 0.00 N1+ ATOM 0 H LYS A 63 -25.545 -1.216 14.773 1.00 0.00 H new ATOM 0 HA LYS A 63 -27.889 -0.507 13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -28.397 0.735 15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -27.730 -0.851 15.951 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -25.480 0.164 16.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -26.134 1.751 15.956 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -27.026 -0.026 18.269 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.895 1.306 18.409 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -28.799 1.574 17.504 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -28.213 1.928 19.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.271 3.959 17.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.629 3.532 18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.505 3.313 16.592 1.00 0.00 H new ATOM 1007 N GLY A 64 -27.921 2.203 13.565 1.00 0.00 N ATOM 1008 CA GLY A 64 -27.821 3.564 13.109 1.00 0.00 C ATOM 1009 C GLY A 64 -27.720 3.554 11.622 1.00 0.00 C ATOM 1010 O GLY A 64 -27.084 4.419 11.037 1.00 0.00 O ATOM 0 H GLY A 64 -28.850 1.929 13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -28.693 4.136 13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -26.947 4.047 13.546 1.00 0.00 H new ATOM 1014 N VAL A 65 -28.382 2.577 10.971 1.00 0.00 N ATOM 1015 CA VAL A 65 -28.314 2.477 9.535 1.00 0.00 C ATOM 1016 C VAL A 65 -29.069 3.630 8.939 1.00 0.00 C ATOM 1017 O VAL A 65 -30.259 3.819 9.191 1.00 0.00 O ATOM 1018 CB VAL A 65 -28.923 1.202 9.013 1.00 0.00 C ATOM 1019 CG1 VAL A 65 -28.833 1.200 7.474 1.00 0.00 C ATOM 1020 CG2 VAL A 65 -28.178 0.016 9.648 1.00 0.00 C ATOM 0 H VAL A 65 -28.956 1.866 11.425 1.00 0.00 H new ATOM 0 HA VAL A 65 -27.260 2.487 9.256 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.977 1.120 9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -29.271 0.281 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -29.376 2.057 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -27.788 1.260 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -28.604 -0.919 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -27.123 0.063 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -28.279 0.062 10.732 1.00 0.00 H new ATOM 1030 N GLY A 66 -28.353 4.444 8.130 1.00 0.00 N ATOM 1031 CA GLY A 66 -28.958 5.575 7.473 1.00 0.00 C ATOM 1032 C GLY A 66 -28.641 6.811 8.257 1.00 0.00 C ATOM 1033 O GLY A 66 -28.384 7.863 7.679 1.00 0.00 O ATOM 0 H GLY A 66 -27.360 4.321 7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -28.581 5.666 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -30.037 5.438 7.403 1.00 0.00 H new ATOM 1037 N ALA A 67 -28.656 6.716 9.607 1.00 0.00 N ATOM 1038 CA ALA A 67 -28.352 7.871 10.416 1.00 0.00 C ATOM 1039 C ALA A 67 -26.861 8.055 10.429 1.00 0.00 C ATOM 1040 O ALA A 67 -26.344 9.075 9.972 1.00 0.00 O ATOM 1041 CB ALA A 67 -28.834 7.727 11.872 1.00 0.00 C ATOM 0 H ALA A 67 -28.872 5.866 10.128 1.00 0.00 H new ATOM 0 HA ALA A 67 -28.871 8.725 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -28.577 8.627 12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -29.915 7.588 11.885 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -28.352 6.864 12.331 1.00 0.00 H new ATOM 1047 N SER A 68 -26.139 7.051 10.969 1.00 0.00 N ATOM 1048 CA SER A 68 -24.699 7.123 11.025 1.00 0.00 C ATOM 1049 C SER A 68 -24.158 6.155 10.028 1.00 0.00 C ATOM 1050 O SER A 68 -23.115 6.390 9.425 1.00 0.00 O ATOM 1051 CB SER A 68 -24.105 6.744 12.391 1.00 0.00 C ATOM 1052 OG SER A 68 -24.519 7.673 13.385 1.00 0.00 O ATOM 0 H SER A 68 -26.540 6.200 11.362 1.00 0.00 H new ATOM 0 HA SER A 68 -24.426 8.159 10.826 1.00 0.00 H new ATOM 0 HB2 SER A 68 -24.424 5.739 12.668 1.00 0.00 H new ATOM 0 HB3 SER A 68 -23.017 6.727 12.330 1.00 0.00 H new ATOM 0 HG SER A 68 -24.135 7.419 14.250 1.00 0.00 H new ATOM 1058 N GLY A 69 -24.858 5.011 9.846 1.00 0.00 N ATOM 1059 CA GLY A 69 -24.398 4.017 8.916 1.00 0.00 C ATOM 1060 C GLY A 69 -23.174 3.387 9.499 1.00 0.00 C ATOM 1061 O GLY A 69 -22.159 3.271 8.823 1.00 0.00 O ATOM 0 H GLY A 69 -25.724 4.779 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -25.170 3.267 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -24.173 4.470 7.951 1.00 0.00 H new ATOM 1065 N SER A 70 -23.220 2.980 10.794 1.00 0.00 N ATOM 1066 CA SER A 70 -22.044 2.400 11.389 1.00 0.00 C ATOM 1067 C SER A 70 -21.823 1.048 10.770 1.00 0.00 C ATOM 1068 O SER A 70 -22.768 0.294 10.534 1.00 0.00 O ATOM 1069 CB SER A 70 -22.153 2.235 12.917 1.00 0.00 C ATOM 1070 OG SER A 70 -22.170 3.510 13.546 1.00 0.00 O ATOM 0 H SER A 70 -24.035 3.049 11.404 1.00 0.00 H new ATOM 0 HA SER A 70 -21.212 3.078 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 70 -23.060 1.685 13.167 1.00 0.00 H new ATOM 0 HB3 SER A 70 -21.312 1.649 13.288 1.00 0.00 H new ATOM 0 HG SER A 70 -22.241 3.395 14.517 1.00 0.00 H new ATOM 1076 N PHE A 71 -20.542 0.723 10.477 1.00 0.00 N ATOM 1077 CA PHE A 71 -20.222 -0.551 9.878 1.00 0.00 C ATOM 1078 C PHE A 71 -19.087 -1.154 10.649 1.00 0.00 C ATOM 1079 O PHE A 71 -18.263 -0.448 11.232 1.00 0.00 O ATOM 1080 CB PHE A 71 -19.805 -0.450 8.396 1.00 0.00 C ATOM 1081 CG PHE A 71 -20.876 0.097 7.507 1.00 0.00 C ATOM 1082 CD1 PHE A 71 -20.803 1.387 7.030 1.00 0.00 C ATOM 1083 CD2 PHE A 71 -21.957 -0.683 7.159 1.00 0.00 C ATOM 1084 CE1 PHE A 71 -21.792 1.888 6.217 1.00 0.00 C ATOM 1085 CE2 PHE A 71 -22.946 -0.182 6.345 1.00 0.00 C ATOM 1086 CZ PHE A 71 -22.862 1.104 5.875 1.00 0.00 C ATOM 0 H PHE A 71 -19.740 1.329 10.650 1.00 0.00 H new ATOM 0 HA PHE A 71 -21.124 -1.162 9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -18.922 0.184 8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -19.519 -1.440 8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -19.962 2.010 7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -22.028 -1.695 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -21.725 2.901 5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -23.789 -0.801 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 71 -23.639 1.498 5.236 1.00 0.00 H new ATOM 1096 N ARG A 72 -19.032 -2.506 10.654 1.00 0.00 N ATOM 1097 CA ARG A 72 -17.993 -3.211 11.364 1.00 0.00 C ATOM 1098 C ARG A 72 -17.272 -4.077 10.375 1.00 0.00 C ATOM 1099 O ARG A 72 -17.832 -4.482 9.361 1.00 0.00 O ATOM 1100 CB ARG A 72 -18.542 -4.112 12.489 1.00 0.00 C ATOM 1101 CG ARG A 72 -19.003 -3.314 13.710 1.00 0.00 C ATOM 1102 CD ARG A 72 -19.758 -4.176 14.726 1.00 0.00 C ATOM 1103 NE ARG A 72 -21.066 -4.580 14.129 1.00 0.00 N ATOM 1104 CZ ARG A 72 -21.920 -5.392 14.820 1.00 0.00 C ATOM 1105 NH1 ARG A 72 -21.583 -5.841 16.064 1.00 0.00 N1+ ATOM 1106 NH2 ARG A 72 -23.113 -5.752 14.263 1.00 0.00 N ATOM 0 H ARG A 72 -19.700 -3.108 10.172 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.339 -2.472 11.828 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.378 -4.697 12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.770 -4.819 12.792 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.136 -2.864 14.194 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -19.646 -2.497 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.171 -5.058 14.984 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.919 -3.619 15.649 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.323 -4.248 13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.692 -5.570 16.480 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -22.222 -6.447 16.578 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -23.364 -5.415 13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.753 -6.358 14.776 1.00 0.00 H new ATOM 1120 N LEU A 73 -15.989 -4.384 10.660 1.00 0.00 N ATOM 1121 CA LEU A 73 -15.219 -5.209 9.765 1.00 0.00 C ATOM 1122 C LEU A 73 -15.177 -6.583 10.356 1.00 0.00 C ATOM 1123 O LEU A 73 -14.802 -6.770 11.513 1.00 0.00 O ATOM 1124 CB LEU A 73 -13.767 -4.717 9.590 1.00 0.00 C ATOM 1125 CG LEU A 73 -12.934 -5.598 8.640 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -13.525 -5.611 7.219 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -11.461 -5.158 8.627 1.00 0.00 C ATOM 0 H LEU A 73 -15.490 -4.070 11.492 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.691 -5.180 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.780 -3.696 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.281 -4.687 10.565 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.974 -6.619 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.912 -6.242 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.541 -6.004 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.541 -4.596 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.896 -5.797 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.393 -4.123 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.047 -5.241 9.632 1.00 0.00 H new ATOM 1139 N ALA A 74 -15.571 -7.591 9.552 1.00 0.00 N ATOM 1140 CA ALA A 74 -15.556 -8.947 10.018 1.00 0.00 C ATOM 1141 C ALA A 74 -14.168 -9.478 9.805 1.00 0.00 C ATOM 1142 O ALA A 74 -13.753 -9.750 8.681 1.00 0.00 O ATOM 1143 CB ALA A 74 -16.540 -9.846 9.251 1.00 0.00 C ATOM 0 H ALA A 74 -15.896 -7.471 8.593 1.00 0.00 H new ATOM 0 HA ALA A 74 -15.854 -8.955 11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -16.488 -10.861 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -17.553 -9.462 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -16.278 -9.853 8.193 1.00 0.00 H new ATOM 1149 N LYS A 75 -13.410 -9.648 10.907 1.00 0.00 N ATOM 1150 CA LYS A 75 -12.066 -10.153 10.795 1.00 0.00 C ATOM 1151 C LYS A 75 -12.148 -11.624 10.375 1.00 0.00 C ATOM 1152 O LYS A 75 -11.072 -12.236 10.134 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.281 -10.073 12.121 1.00 0.00 C ATOM 1154 CG LYS A 75 -10.998 -8.632 12.552 1.00 0.00 C ATOM 1155 CD LYS A 75 -10.219 -8.555 13.866 1.00 0.00 C ATOM 1156 CE LYS A 75 -9.935 -7.117 14.295 1.00 0.00 C ATOM 1157 NZ LYS A 75 -9.188 -7.100 15.574 1.00 0.00 N1+ ATOM 0 H LYS A 75 -13.716 -9.442 11.858 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.539 -9.539 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.846 -10.578 12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.337 -10.608 12.013 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.433 -8.126 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.941 -8.097 12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.784 -9.059 14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.276 -9.091 13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.359 -6.607 13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.872 -6.572 14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.002 -6.116 15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.752 -7.569 16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.286 -7.603 15.456 1.00 0.00 H new TER 1171 LYS A 75