USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 664 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 Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -124:sc= 0.952 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0176 F(o=-0.55,f=-0.018) USER MOD Single : A 4 MET CE :methyl 171:sc= -0.553 (180deg=-0.653) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 128:sc= -0.298 (180deg=-1.28!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= 0.242 F(o=-0.6,f=0.24) USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= -2.28 (180deg=-4.74!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 103:sc= 1.01 USER MOD Single : A 29 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.076 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= -3.12! (180deg=-3.3!) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.295) USER MOD Single : A 41 SER OG : rot 140:sc=-0.00961 USER MOD Single : A 43 THR OG1 : rot -102:sc= -0.808 USER MOD Single : A 44 THR OG1 : rot 67:sc= -4.65 USER MOD Single : A 45 ASN : amide:sc= -2.56 K(o=-2.6,f=-4.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.678 F(o=-2!,f=-0.68) USER MOD Single : A 52 THR OG1 : rot -120:sc= -4.04! USER MOD Single : A 56 GLN : amide:sc= -0.0858 X(o=-0.086,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.166 F(o=-2!,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 29:sc= -0.56! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.551! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.149 -15.249 2.984 1.00 0.00 N ATOM 2 CA MET A 1 7.279 -14.412 1.757 1.00 0.00 C ATOM 3 C MET A 1 6.805 -12.985 2.047 1.00 0.00 C ATOM 4 O MET A 1 7.287 -12.341 2.958 1.00 0.00 O ATOM 5 CB MET A 1 6.677 -14.837 0.969 1.00 0.00 C ATOM 0 H1 MET A 1 7.472 -16.216 2.780 1.00 0.00 H new ATOM 0 H2 MET A 1 7.730 -14.843 3.745 1.00 0.00 H new ATOM 0 H3 MET A 1 6.154 -15.273 3.284 1.00 0.00 H new ATOM 0 HA MET A 1 8.324 -14.386 1.448 1.00 0.00 H new ATOM 7 N SER A 2 5.868 -12.520 1.263 1.00 0.00 N ATOM 8 CA SER A 2 5.354 -11.143 1.477 1.00 0.00 C ATOM 9 C SER A 2 4.405 -11.097 2.667 1.00 0.00 C ATOM 10 O SER A 2 4.091 -12.114 3.254 1.00 0.00 O ATOM 11 CB SER A 2 4.586 -10.708 0.217 1.00 0.00 C ATOM 12 OG SER A 2 4.443 -9.302 0.365 1.00 0.00 O ATOM 0 H SER A 2 5.442 -13.032 0.491 1.00 0.00 H new ATOM 0 HA SER A 2 6.195 -10.478 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.135 -10.959 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.617 -11.202 0.151 1.00 0.00 H new ATOM 0 HG SER A 2 3.494 -9.063 0.320 1.00 0.00 H new ATOM 18 N HIS A 3 3.967 -9.915 3.004 1.00 0.00 N ATOM 19 CA HIS A 3 3.039 -9.783 4.150 1.00 0.00 C ATOM 20 C HIS A 3 2.398 -8.398 4.168 1.00 0.00 C ATOM 21 O HIS A 3 2.526 -7.662 5.126 1.00 0.00 O ATOM 22 CB HIS A 3 3.838 -9.988 5.451 1.00 0.00 C ATOM 23 CG HIS A 3 5.200 -9.305 5.320 1.00 0.00 C ATOM 24 ND1 HIS A 3 5.508 -8.033 4.883 1.00 0.00 N flip ATOM 25 CD2 HIS A 3 6.295 -9.834 5.607 1.00 0.00 C flip ATOM 26 CE1 HIS A 3 6.858 -7.858 4.934 1.00 0.00 C flip ATOM 27 NE2 HIS A 3 7.263 -9.041 5.401 1.00 0.00 N flip ATOM 0 H HIS A 3 4.213 -9.043 2.536 1.00 0.00 H new ATOM 0 HA HIS A 3 2.249 -10.529 4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.290 -9.573 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.969 -11.052 5.647 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.404 -10.840 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.445 -6.992 4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.240 -9.280 5.573 1.00 0.00 H new ATOM 35 N MET A 4 1.718 -8.067 3.102 1.00 0.00 N ATOM 36 CA MET A 4 1.064 -6.737 3.041 1.00 0.00 C ATOM 37 C MET A 4 -0.357 -6.816 3.591 1.00 0.00 C ATOM 38 O MET A 4 -0.584 -7.364 4.651 1.00 0.00 O ATOM 39 CB MET A 4 1.007 -6.282 1.569 1.00 0.00 C ATOM 40 CG MET A 4 0.287 -7.345 0.736 1.00 0.00 C ATOM 41 SD MET A 4 1.257 -8.772 0.190 1.00 0.00 S ATOM 42 CE MET A 4 0.206 -10.051 0.919 1.00 0.00 C ATOM 0 H MET A 4 1.590 -8.657 2.280 1.00 0.00 H new ATOM 0 HA MET A 4 1.636 -6.029 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.485 -5.328 1.492 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.015 -6.125 1.186 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.557 -7.714 1.318 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.124 -6.859 -0.149 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.531 -11.031 0.570 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.282 -10.009 2.006 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.829 -9.885 0.621 1.00 0.00 H new ATOM 52 N LEU A 5 -1.288 -6.269 2.861 1.00 0.00 N ATOM 53 CA LEU A 5 -2.692 -6.306 3.329 1.00 0.00 C ATOM 54 C LEU A 5 -3.651 -6.204 2.151 1.00 0.00 C ATOM 55 O LEU A 5 -3.940 -5.125 1.676 1.00 0.00 O ATOM 56 CB LEU A 5 -2.920 -5.110 4.265 1.00 0.00 C ATOM 57 CG LEU A 5 -4.405 -5.024 4.624 1.00 0.00 C ATOM 58 CD1 LEU A 5 -4.905 -6.410 5.042 1.00 0.00 C ATOM 59 CD2 LEU A 5 -4.581 -4.050 5.792 1.00 0.00 C ATOM 0 H LEU A 5 -1.135 -5.802 1.967 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.876 -7.247 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.322 -5.222 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.597 -4.188 3.781 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.974 -4.675 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.963 -6.353 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.769 -7.110 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.340 -6.755 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.637 -3.983 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.016 -4.408 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.216 -3.065 5.502 1.00 0.00 H new ATOM 71 N GLU A 6 -4.125 -7.332 1.699 1.00 0.00 N ATOM 72 CA GLU A 6 -5.063 -7.320 0.553 1.00 0.00 C ATOM 73 C GLU A 6 -6.499 -7.139 1.029 1.00 0.00 C ATOM 74 O GLU A 6 -6.767 -6.351 1.915 1.00 0.00 O ATOM 75 CB GLU A 6 -4.951 -8.667 -0.179 1.00 0.00 C ATOM 76 CG GLU A 6 -3.499 -8.879 -0.614 1.00 0.00 C ATOM 77 CD GLU A 6 -3.385 -10.211 -1.358 1.00 0.00 C ATOM 78 OE1 GLU A 6 -4.311 -10.497 -2.101 1.00 0.00 O ATOM 79 OE2 GLU A 6 -2.379 -10.867 -1.142 1.00 0.00 O ATOM 0 H GLU A 6 -3.902 -8.254 2.074 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.807 -6.491 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.270 -9.478 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.610 -8.679 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.177 -8.061 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.842 -8.878 0.256 1.00 0.00 H new ATOM 86 N GLY A 7 -7.399 -7.869 0.430 1.00 0.00 N ATOM 87 CA GLY A 7 -8.827 -7.751 0.836 1.00 0.00 C ATOM 88 C GLY A 7 -9.373 -6.366 0.474 1.00 0.00 C ATOM 89 O GLY A 7 -10.282 -6.245 -0.324 1.00 0.00 O ATOM 0 H GLY A 7 -7.209 -8.537 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.417 -8.522 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.921 -7.917 1.909 1.00 0.00 H new ATOM 93 N ARG A 8 -8.807 -5.350 1.067 1.00 0.00 N ATOM 94 CA ARG A 8 -9.282 -3.977 0.768 1.00 0.00 C ATOM 95 C ARG A 8 -8.231 -2.941 1.149 1.00 0.00 C ATOM 96 O ARG A 8 -7.431 -3.161 2.035 1.00 0.00 O ATOM 97 CB ARG A 8 -10.549 -3.719 1.593 1.00 0.00 C ATOM 98 CG ARG A 8 -10.252 -3.998 3.068 1.00 0.00 C ATOM 99 CD ARG A 8 -11.489 -3.654 3.899 1.00 0.00 C ATOM 100 NE ARG A 8 -12.677 -3.612 2.999 1.00 0.00 N ATOM 101 CZ ARG A 8 -13.537 -2.638 3.116 1.00 0.00 C ATOM 102 NH1 ARG A 8 -13.101 -1.445 3.411 1.00 0.00 N ATOM 103 NH2 ARG A 8 -14.806 -2.890 2.937 1.00 0.00 N ATOM 0 H ARG A 8 -8.043 -5.414 1.740 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.480 -3.893 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.878 -2.688 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.361 -4.358 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.985 -5.046 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.399 -3.405 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.636 -4.397 4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.356 -2.692 4.393 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.816 -4.339 2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.103 -1.286 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.758 -0.671 3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.111 -3.836 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.492 -2.140 3.025 1.00 0.00 H new ATOM 117 N LYS A 9 -8.251 -1.823 0.469 1.00 0.00 N ATOM 118 CA LYS A 9 -7.260 -0.765 0.780 1.00 0.00 C ATOM 119 C LYS A 9 -7.505 -0.190 2.171 1.00 0.00 C ATOM 120 O LYS A 9 -8.633 -0.098 2.614 1.00 0.00 O ATOM 121 CB LYS A 9 -7.408 0.363 -0.258 1.00 0.00 C ATOM 122 CG LYS A 9 -8.892 0.705 -0.430 1.00 0.00 C ATOM 123 CD LYS A 9 -9.036 2.213 -0.649 1.00 0.00 C ATOM 124 CE LYS A 9 -10.429 2.513 -1.212 1.00 0.00 C ATOM 125 NZ LYS A 9 -11.452 2.469 -0.129 1.00 0.00 N ATOM 0 H LYS A 9 -8.907 -1.604 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.258 -1.194 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.855 1.245 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.982 0.052 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.308 0.160 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.453 0.398 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.889 2.744 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.269 2.567 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.433 3.496 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.679 1.787 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.390 2.675 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.460 1.523 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.221 3.179 0.595 1.00 0.00 H new ATOM 139 N LYS A 10 -6.442 0.185 2.836 1.00 0.00 N ATOM 140 CA LYS A 10 -6.598 0.756 4.199 1.00 0.00 C ATOM 141 C LYS A 10 -5.580 1.863 4.448 1.00 0.00 C ATOM 142 O LYS A 10 -5.856 2.816 5.147 1.00 0.00 O ATOM 143 CB LYS A 10 -6.371 -0.368 5.222 1.00 0.00 C ATOM 144 CG LYS A 10 -6.771 0.130 6.612 1.00 0.00 C ATOM 145 CD LYS A 10 -6.135 -0.775 7.667 1.00 0.00 C ATOM 146 CE LYS A 10 -4.788 -0.186 8.090 1.00 0.00 C ATOM 147 NZ LYS A 10 -4.972 1.169 8.681 1.00 0.00 N ATOM 0 H LYS A 10 -5.483 0.120 2.495 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.598 1.179 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.960 -1.245 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.325 -0.673 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.442 1.160 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.856 0.125 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.793 -0.865 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.996 -1.779 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.309 -0.843 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.124 -0.126 7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.501 1.211 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.557 1.883 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.987 1.361 8.800 1.00 0.00 H new ATOM 161 N ARG A 11 -4.416 1.719 3.873 1.00 0.00 N ATOM 162 CA ARG A 11 -3.378 2.761 4.071 1.00 0.00 C ATOM 163 C ARG A 11 -3.625 3.945 3.145 1.00 0.00 C ATOM 164 O ARG A 11 -2.714 4.679 2.815 1.00 0.00 O ATOM 165 CB ARG A 11 -2.005 2.148 3.750 1.00 0.00 C ATOM 166 CG ARG A 11 -1.691 1.068 4.785 1.00 0.00 C ATOM 167 CD ARG A 11 -0.176 0.993 4.995 1.00 0.00 C ATOM 168 NE ARG A 11 0.475 0.604 3.714 1.00 0.00 N ATOM 169 CZ ARG A 11 0.192 -0.550 3.177 1.00 0.00 C ATOM 170 NH1 ARG A 11 -0.501 -1.414 3.869 1.00 0.00 N ATOM 171 NH2 ARG A 11 0.612 -0.805 1.969 1.00 0.00 N ATOM 0 H ARG A 11 -4.145 0.933 3.282 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.412 3.112 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.008 1.720 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.235 2.919 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.189 1.295 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.071 0.104 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.205 1.957 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.060 0.267 5.773 1.00 0.00 H new ATOM 0 HE ARG A 11 1.136 1.234 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.811 -1.181 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.732 -2.322 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.153 -0.107 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.399 -1.703 1.534 1.00 0.00 H new ATOM 185 N VAL A 12 -4.865 4.101 2.745 1.00 0.00 N ATOM 186 CA VAL A 12 -5.227 5.226 1.839 1.00 0.00 C ATOM 187 C VAL A 12 -6.240 6.156 2.515 1.00 0.00 C ATOM 188 O VAL A 12 -7.431 5.922 2.453 1.00 0.00 O ATOM 189 CB VAL A 12 -5.891 4.630 0.586 1.00 0.00 C ATOM 190 CG1 VAL A 12 -6.068 5.730 -0.461 1.00 0.00 C ATOM 191 CG2 VAL A 12 -4.997 3.529 0.015 1.00 0.00 C ATOM 0 H VAL A 12 -5.640 3.494 3.010 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.329 5.792 1.591 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.863 4.213 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.538 5.313 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.698 6.521 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.094 6.142 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.465 3.105 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.027 3.949 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.861 2.747 0.762 1.00 0.00 H new ATOM 201 N PRO A 13 -5.750 7.206 3.158 1.00 0.00 N ATOM 202 CA PRO A 13 -6.627 8.154 3.837 1.00 0.00 C ATOM 203 C PRO A 13 -7.684 8.724 2.909 1.00 0.00 C ATOM 204 O PRO A 13 -7.398 9.136 1.804 1.00 0.00 O ATOM 205 CB PRO A 13 -5.701 9.278 4.322 1.00 0.00 C ATOM 206 CG PRO A 13 -4.237 8.764 4.147 1.00 0.00 C ATOM 207 CD PRO A 13 -4.311 7.512 3.249 1.00 0.00 C ATOM 0 HA PRO A 13 -7.168 7.666 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.863 10.188 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.903 9.522 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.610 9.530 3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.794 8.522 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.883 7.704 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.755 6.680 3.682 1.00 0.00 H new ATOM 215 N TYR A 14 -8.890 8.734 3.389 1.00 0.00 N ATOM 216 CA TYR A 14 -10.009 9.265 2.583 1.00 0.00 C ATOM 217 C TYR A 14 -11.260 9.311 3.437 1.00 0.00 C ATOM 218 O TYR A 14 -12.057 8.393 3.413 1.00 0.00 O ATOM 219 CB TYR A 14 -10.249 8.319 1.394 1.00 0.00 C ATOM 220 CG TYR A 14 -11.250 8.959 0.431 1.00 0.00 C ATOM 221 CD1 TYR A 14 -10.825 9.859 -0.523 1.00 0.00 C ATOM 222 CD2 TYR A 14 -12.593 8.643 0.501 1.00 0.00 C ATOM 223 CE1 TYR A 14 -11.728 10.435 -1.395 1.00 0.00 C ATOM 224 CE2 TYR A 14 -13.494 9.218 -0.370 1.00 0.00 C ATOM 225 CZ TYR A 14 -13.070 10.118 -1.324 1.00 0.00 C ATOM 226 OH TYR A 14 -13.972 10.694 -2.196 1.00 0.00 O ATOM 0 H TYR A 14 -9.148 8.393 4.315 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.771 10.267 2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.309 8.118 0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.630 7.361 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.778 10.116 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.940 7.940 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.382 11.138 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -14.541 8.961 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 14 -14.872 10.357 -2.005 1.00 0.00 H new ATOM 236 N THR A 15 -11.413 10.385 4.183 1.00 0.00 N ATOM 237 CA THR A 15 -12.622 10.505 5.057 1.00 0.00 C ATOM 238 C THR A 15 -13.314 11.850 4.890 1.00 0.00 C ATOM 239 O THR A 15 -13.289 12.440 3.829 1.00 0.00 O ATOM 240 CB THR A 15 -12.167 10.369 6.514 1.00 0.00 C ATOM 241 OG1 THR A 15 -10.996 9.584 6.465 1.00 0.00 O ATOM 242 CG2 THR A 15 -13.163 9.524 7.326 1.00 0.00 C ATOM 0 H THR A 15 -10.763 11.170 4.223 1.00 0.00 H new ATOM 0 HA THR A 15 -13.331 9.726 4.777 1.00 0.00 H new ATOM 0 HB THR A 15 -12.056 11.358 6.959 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.648 9.458 7.373 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.816 9.443 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.143 10.001 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.237 8.528 6.889 1.00 0.00 H new ATOM 250 N LYS A 16 -13.924 12.308 5.953 1.00 0.00 N ATOM 251 CA LYS A 16 -14.629 13.610 5.891 1.00 0.00 C ATOM 252 C LYS A 16 -13.680 14.769 6.160 1.00 0.00 C ATOM 253 O LYS A 16 -13.943 15.881 5.766 1.00 0.00 O ATOM 254 CB LYS A 16 -15.736 13.613 6.960 1.00 0.00 C ATOM 255 CG LYS A 16 -17.068 13.979 6.300 1.00 0.00 C ATOM 256 CD LYS A 16 -18.157 14.061 7.372 1.00 0.00 C ATOM 257 CE LYS A 16 -19.528 13.957 6.701 1.00 0.00 C ATOM 258 NZ LYS A 16 -19.828 15.195 5.929 1.00 0.00 N ATOM 0 H LYS A 16 -13.961 11.834 6.855 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.045 13.736 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.807 12.633 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.497 14.328 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.980 14.933 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.334 13.232 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -18.032 13.258 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.076 15.000 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.549 13.093 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.298 13.797 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.762 15.107 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.828 16.013 6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.103 15.331 5.196 1.00 0.00 H new ATOM 272 N VAL A 17 -12.581 14.492 6.813 1.00 0.00 N ATOM 273 CA VAL A 17 -11.628 15.588 7.099 1.00 0.00 C ATOM 274 C VAL A 17 -11.061 16.073 5.797 1.00 0.00 C ATOM 275 O VAL A 17 -10.734 17.230 5.631 1.00 0.00 O ATOM 276 CB VAL A 17 -10.491 15.047 7.976 1.00 0.00 C ATOM 277 CG1 VAL A 17 -9.657 16.221 8.495 1.00 0.00 C ATOM 278 CG2 VAL A 17 -11.086 14.290 9.166 1.00 0.00 C ATOM 0 H VAL A 17 -12.311 13.569 7.153 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.131 16.404 7.618 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.863 14.376 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.847 15.844 9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.239 16.771 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.290 16.885 9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.281 13.904 9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.709 14.966 9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.693 13.460 8.803 1.00 0.00 H new ATOM 288 N GLN A 18 -10.963 15.157 4.893 1.00 0.00 N ATOM 289 CA GLN A 18 -10.432 15.477 3.570 1.00 0.00 C ATOM 290 C GLN A 18 -11.453 16.326 2.813 1.00 0.00 C ATOM 291 O GLN A 18 -11.141 17.395 2.308 1.00 0.00 O ATOM 292 CB GLN A 18 -10.227 14.144 2.850 1.00 0.00 C ATOM 293 CG GLN A 18 -8.827 14.123 2.245 1.00 0.00 C ATOM 294 CD GLN A 18 -8.578 12.769 1.576 1.00 0.00 C ATOM 295 OE1 GLN A 18 -9.261 12.450 0.513 1.00 0.00 O flip ATOM 296 NE2 GLN A 18 -7.756 11.988 2.018 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.236 14.183 5.024 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.498 16.035 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.349 13.315 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.977 14.017 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.723 14.926 1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.082 14.299 3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.218 12.231 2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.605 11.091 1.557 1.00 0.00 H new ATOM 305 N LEU A 19 -12.668 15.841 2.768 1.00 0.00 N ATOM 306 CA LEU A 19 -13.728 16.592 2.059 1.00 0.00 C ATOM 307 C LEU A 19 -14.095 17.844 2.844 1.00 0.00 C ATOM 308 O LEU A 19 -14.715 18.750 2.321 1.00 0.00 O ATOM 309 CB LEU A 19 -14.981 15.693 1.954 1.00 0.00 C ATOM 310 CG LEU A 19 -15.309 15.428 0.480 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.811 16.722 -0.174 1.00 0.00 C ATOM 312 CD2 LEU A 19 -14.046 14.957 -0.236 1.00 0.00 C ATOM 0 H LEU A 19 -12.963 14.961 3.192 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.370 16.877 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.808 14.750 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.827 16.175 2.443 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.082 14.662 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.044 16.533 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.708 17.066 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.038 17.487 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.272 14.767 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.278 15.727 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.684 14.040 0.229 1.00 0.00 H new ATOM 324 N LYS A 20 -13.701 17.873 4.090 1.00 0.00 N ATOM 325 CA LYS A 20 -14.016 19.051 4.921 1.00 0.00 C ATOM 326 C LYS A 20 -13.114 20.198 4.543 1.00 0.00 C ATOM 327 O LYS A 20 -13.550 21.318 4.425 1.00 0.00 O ATOM 328 CB LYS A 20 -13.782 18.692 6.403 1.00 0.00 C ATOM 329 CG LYS A 20 -13.977 19.940 7.270 1.00 0.00 C ATOM 330 CD LYS A 20 -13.566 19.619 8.709 1.00 0.00 C ATOM 331 CE LYS A 20 -14.127 20.694 9.639 1.00 0.00 C ATOM 332 NZ LYS A 20 -15.614 20.620 9.684 1.00 0.00 N ATOM 0 H LYS A 20 -13.178 17.132 4.558 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.054 19.342 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.475 17.910 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.775 18.297 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.378 20.764 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.018 20.261 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.942 18.638 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.480 19.580 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.720 20.564 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.816 21.680 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.012 21.576 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.956 20.022 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.914 20.211 10.592 1.00 0.00 H new ATOM 346 N GLU A 21 -11.864 19.904 4.346 1.00 0.00 N ATOM 347 CA GLU A 21 -10.942 20.983 3.977 1.00 0.00 C ATOM 348 C GLU A 21 -11.184 21.422 2.537 1.00 0.00 C ATOM 349 O GLU A 21 -10.825 22.506 2.146 1.00 0.00 O ATOM 350 CB GLU A 21 -9.505 20.462 4.121 1.00 0.00 C ATOM 351 CG GLU A 21 -9.141 20.422 5.608 1.00 0.00 C ATOM 352 CD GLU A 21 -7.694 19.952 5.765 1.00 0.00 C ATOM 353 OE1 GLU A 21 -6.904 20.336 4.918 1.00 0.00 O ATOM 354 OE2 GLU A 21 -7.459 19.234 6.724 1.00 0.00 O ATOM 0 H GLU A 21 -11.453 18.974 4.425 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.104 21.841 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.419 19.467 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.813 21.108 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.264 21.411 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.813 19.749 6.140 1.00 0.00 H new ATOM 361 N LEU A 22 -11.796 20.576 1.776 1.00 0.00 N ATOM 362 CA LEU A 22 -12.061 20.945 0.365 1.00 0.00 C ATOM 363 C LEU A 22 -13.256 21.905 0.233 1.00 0.00 C ATOM 364 O LEU A 22 -13.186 22.889 -0.467 1.00 0.00 O ATOM 365 CB LEU A 22 -12.398 19.648 -0.410 1.00 0.00 C ATOM 366 CG LEU A 22 -11.377 19.417 -1.534 1.00 0.00 C ATOM 367 CD1 LEU A 22 -11.227 20.690 -2.378 1.00 0.00 C ATOM 368 CD2 LEU A 22 -10.025 19.054 -0.922 1.00 0.00 C ATOM 0 H LEU A 22 -12.123 19.653 2.062 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.178 21.446 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.396 18.798 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.401 19.718 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.725 18.604 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.501 20.516 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.190 20.951 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.883 21.508 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.298 18.889 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.685 19.868 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.126 18.145 -0.329 1.00 0.00 H new ATOM 380 N GLU A 23 -14.303 21.630 0.956 1.00 0.00 N ATOM 381 CA GLU A 23 -15.507 22.514 0.872 1.00 0.00 C ATOM 382 C GLU A 23 -15.404 23.755 1.739 1.00 0.00 C ATOM 383 O GLU A 23 -16.088 24.731 1.496 1.00 0.00 O ATOM 384 CB GLU A 23 -16.723 21.706 1.337 1.00 0.00 C ATOM 385 CG GLU A 23 -16.860 20.456 0.467 1.00 0.00 C ATOM 386 CD GLU A 23 -17.922 19.534 1.073 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.278 19.794 2.210 1.00 0.00 O ATOM 388 OE2 GLU A 23 -18.316 18.622 0.364 1.00 0.00 O ATOM 0 H GLU A 23 -14.382 20.841 1.597 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.595 22.848 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.608 21.424 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.626 22.313 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.140 20.734 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.904 19.936 0.403 1.00 0.00 H new ATOM 395 N ARG A 24 -14.568 23.719 2.720 1.00 0.00 N ATOM 396 CA ARG A 24 -14.447 24.913 3.586 1.00 0.00 C ATOM 397 C ARG A 24 -13.471 25.889 2.995 1.00 0.00 C ATOM 398 O ARG A 24 -13.738 27.071 2.923 1.00 0.00 O ATOM 399 CB ARG A 24 -13.960 24.471 4.970 1.00 0.00 C ATOM 400 CG ARG A 24 -15.179 24.145 5.851 1.00 0.00 C ATOM 401 CD ARG A 24 -16.084 23.124 5.137 1.00 0.00 C ATOM 402 NE ARG A 24 -17.379 23.030 5.867 1.00 0.00 N ATOM 403 CZ ARG A 24 -17.663 21.942 6.530 1.00 0.00 C ATOM 404 NH1 ARG A 24 -17.239 21.824 7.759 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.362 21.008 5.943 1.00 0.00 N ATOM 0 H ARG A 24 -13.969 22.930 2.962 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.418 25.401 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.316 23.596 4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.364 25.260 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.849 23.744 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.740 25.056 6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.255 23.430 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.599 22.149 5.104 1.00 0.00 H new ATOM 0 HE ARG A 24 -18.038 23.809 5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.696 22.575 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.451 20.981 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.677 21.135 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.593 20.151 6.446 1.00 0.00 H new ATOM 419 N GLU A 25 -12.358 25.393 2.570 1.00 0.00 N ATOM 420 CA GLU A 25 -11.369 26.295 1.983 1.00 0.00 C ATOM 421 C GLU A 25 -11.880 26.835 0.656 1.00 0.00 C ATOM 422 O GLU A 25 -11.444 27.872 0.200 1.00 0.00 O ATOM 423 CB GLU A 25 -10.080 25.510 1.761 1.00 0.00 C ATOM 424 CG GLU A 25 -9.712 24.806 3.070 1.00 0.00 C ATOM 425 CD GLU A 25 -8.640 23.749 2.797 1.00 0.00 C ATOM 426 OE1 GLU A 25 -8.455 23.456 1.627 1.00 0.00 O ATOM 427 OE2 GLU A 25 -8.067 23.294 3.773 1.00 0.00 O ATOM 0 H GLU A 25 -12.096 24.408 2.605 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.187 27.137 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.213 24.780 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.277 26.179 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.345 25.532 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.596 24.339 3.505 1.00 0.00 H new ATOM 434 N TYR A 26 -12.807 26.122 0.057 1.00 0.00 N ATOM 435 CA TYR A 26 -13.349 26.597 -1.239 1.00 0.00 C ATOM 436 C TYR A 26 -14.557 27.498 -1.010 1.00 0.00 C ATOM 437 O TYR A 26 -14.818 28.399 -1.782 1.00 0.00 O ATOM 438 CB TYR A 26 -13.788 25.381 -2.067 1.00 0.00 C ATOM 439 CG TYR A 26 -13.915 25.788 -3.528 1.00 0.00 C ATOM 440 CD1 TYR A 26 -12.806 26.204 -4.230 1.00 0.00 C ATOM 441 CD2 TYR A 26 -15.136 25.744 -4.166 1.00 0.00 C ATOM 442 CE1 TYR A 26 -12.915 26.575 -5.555 1.00 0.00 C ATOM 443 CE2 TYR A 26 -15.248 26.115 -5.491 1.00 0.00 C ATOM 444 CZ TYR A 26 -14.136 26.533 -6.196 1.00 0.00 C ATOM 445 OH TYR A 26 -14.245 26.906 -7.521 1.00 0.00 O ATOM 0 H TYR A 26 -13.200 25.249 0.408 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.578 27.161 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.062 24.575 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.741 25.001 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.844 26.240 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -16.012 25.417 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.038 26.901 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -16.211 26.078 -5.979 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.176 26.814 -7.811 1.00 0.00 H new ATOM 455 N ALA A 27 -15.272 27.237 0.054 1.00 0.00 N ATOM 456 CA ALA A 27 -16.463 28.065 0.352 1.00 0.00 C ATOM 457 C ALA A 27 -16.094 29.266 1.220 1.00 0.00 C ATOM 458 O ALA A 27 -16.842 30.219 1.310 1.00 0.00 O ATOM 459 CB ALA A 27 -17.477 27.200 1.115 1.00 0.00 C ATOM 0 H ALA A 27 -15.079 26.490 0.721 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.882 28.430 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.362 27.793 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.762 26.346 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.028 26.846 2.043 1.00 0.00 H new ATOM 465 N THR A 28 -14.946 29.200 1.843 1.00 0.00 N ATOM 466 CA THR A 28 -14.525 30.331 2.701 1.00 0.00 C ATOM 467 C THR A 28 -14.171 31.525 1.837 1.00 0.00 C ATOM 468 O THR A 28 -14.449 32.655 2.189 1.00 0.00 O ATOM 469 CB THR A 28 -13.286 29.900 3.505 1.00 0.00 C ATOM 470 OG1 THR A 28 -13.759 28.950 4.437 1.00 0.00 O ATOM 471 CG2 THR A 28 -12.754 31.053 4.376 1.00 0.00 C ATOM 0 H THR A 28 -14.293 28.418 1.792 1.00 0.00 H new ATOM 0 HA THR A 28 -15.336 30.606 3.375 1.00 0.00 H new ATOM 0 HB THR A 28 -12.512 29.553 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.520 28.049 4.135 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.879 30.716 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.478 31.893 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.528 31.368 5.076 1.00 0.00 H new ATOM 479 N ASN A 29 -13.564 31.250 0.714 1.00 0.00 N ATOM 480 CA ASN A 29 -13.180 32.356 -0.196 1.00 0.00 C ATOM 481 C ASN A 29 -13.337 31.939 -1.650 1.00 0.00 C ATOM 482 O ASN A 29 -14.268 32.338 -2.320 1.00 0.00 O ATOM 483 CB ASN A 29 -11.705 32.702 0.055 1.00 0.00 C ATOM 484 CG ASN A 29 -11.604 33.706 1.203 1.00 0.00 C ATOM 485 OD1 ASN A 29 -11.652 33.346 2.363 1.00 0.00 O ATOM 486 ND2 ASN A 29 -11.461 34.973 0.926 1.00 0.00 N ATOM 0 H ASN A 29 -13.321 30.313 0.393 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.825 33.213 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.145 31.799 0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.260 33.120 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.390 35.655 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.420 35.281 -0.045 1.00 0.00 H new ATOM 493 N LYS A 30 -12.418 31.142 -2.107 1.00 0.00 N ATOM 494 CA LYS A 30 -12.473 30.674 -3.510 1.00 0.00 C ATOM 495 C LYS A 30 -11.373 29.664 -3.733 1.00 0.00 C ATOM 496 O LYS A 30 -11.588 28.607 -4.293 1.00 0.00 O ATOM 497 CB LYS A 30 -12.254 31.882 -4.444 1.00 0.00 C ATOM 498 CG LYS A 30 -10.936 32.577 -4.083 1.00 0.00 C ATOM 499 CD LYS A 30 -10.856 33.917 -4.819 1.00 0.00 C ATOM 500 CE LYS A 30 -10.816 33.655 -6.326 1.00 0.00 C ATOM 501 NZ LYS A 30 -9.813 34.538 -6.986 1.00 0.00 N ATOM 0 H LYS A 30 -11.628 30.794 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.440 30.216 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.231 31.552 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.084 32.582 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.878 32.736 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.091 31.946 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.716 34.537 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.966 34.465 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.567 32.610 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.802 33.830 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.800 34.346 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.067 35.533 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.871 34.352 -6.587 1.00 0.00 H new ATOM 515 N PHE A 31 -10.206 30.017 -3.288 1.00 0.00 N ATOM 516 CA PHE A 31 -9.062 29.126 -3.440 1.00 0.00 C ATOM 517 C PHE A 31 -8.088 29.380 -2.320 1.00 0.00 C ATOM 518 O PHE A 31 -8.126 30.426 -1.699 1.00 0.00 O ATOM 519 CB PHE A 31 -8.381 29.363 -4.788 1.00 0.00 C ATOM 520 CG PHE A 31 -7.957 28.000 -5.316 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.886 27.343 -4.748 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.693 27.360 -6.290 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.562 26.070 -5.133 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.365 26.081 -6.677 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.297 25.438 -6.092 1.00 0.00 C ATOM 0 H PHE A 31 -10.006 30.901 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.403 28.091 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.063 29.852 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.518 30.019 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.296 27.838 -3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.530 27.864 -6.751 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.723 25.566 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.945 25.582 -7.439 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.041 24.433 -6.393 1.00 0.00 H new ATOM 535 N ILE A 32 -7.229 28.434 -2.084 1.00 0.00 N ATOM 536 CA ILE A 32 -6.242 28.595 -1.003 1.00 0.00 C ATOM 537 C ILE A 32 -4.818 28.802 -1.554 1.00 0.00 C ATOM 538 O ILE A 32 -4.525 28.480 -2.683 1.00 0.00 O ATOM 539 CB ILE A 32 -6.313 27.335 -0.127 1.00 0.00 C ATOM 540 CG1 ILE A 32 -7.238 26.293 -0.763 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.922 27.731 1.231 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.532 25.659 -1.959 1.00 0.00 C ATOM 0 H ILE A 32 -7.173 27.555 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.475 29.486 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.312 26.918 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.500 25.528 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.169 26.762 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.983 26.852 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.293 28.484 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.921 28.138 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.186 24.916 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.292 26.430 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.613 25.177 -1.625 1.00 0.00 H new ATOM 554 N THR A 33 -3.967 29.337 -0.724 1.00 0.00 N ATOM 555 CA THR A 33 -2.556 29.593 -1.148 1.00 0.00 C ATOM 556 C THR A 33 -1.742 28.313 -1.283 1.00 0.00 C ATOM 557 O THR A 33 -2.098 27.282 -0.749 1.00 0.00 O ATOM 558 CB THR A 33 -1.894 30.475 -0.084 1.00 0.00 C ATOM 559 OG1 THR A 33 -2.150 29.829 1.147 1.00 0.00 O ATOM 560 CG2 THR A 33 -2.611 31.828 0.036 1.00 0.00 C ATOM 0 H THR A 33 -4.186 29.610 0.234 1.00 0.00 H new ATOM 0 HA THR A 33 -2.581 30.073 -2.126 1.00 0.00 H new ATOM 0 HB THR A 33 -0.843 30.623 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.619 30.251 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.120 32.433 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.571 32.347 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.651 31.665 0.317 1.00 0.00 H new ATOM 568 N LYS A 34 -0.650 28.413 -2.008 1.00 0.00 N ATOM 569 CA LYS A 34 0.216 27.226 -2.201 1.00 0.00 C ATOM 570 C LYS A 34 0.534 26.597 -0.867 1.00 0.00 C ATOM 571 O LYS A 34 0.594 25.391 -0.744 1.00 0.00 O ATOM 572 CB LYS A 34 1.519 27.679 -2.871 1.00 0.00 C ATOM 573 CG LYS A 34 1.178 28.439 -4.155 1.00 0.00 C ATOM 574 CD LYS A 34 0.427 27.503 -5.108 1.00 0.00 C ATOM 575 CE LYS A 34 -1.073 27.824 -5.056 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.351 29.122 -5.735 1.00 0.00 N ATOM 0 H LYS A 34 -0.331 29.265 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.297 26.493 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.088 28.317 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.146 26.817 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.566 29.311 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.089 28.805 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.801 27.623 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.598 26.464 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.639 27.026 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.406 27.870 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.378 29.276 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.908 29.896 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.960 29.100 -6.699 1.00 0.00 H new ATOM 590 N ASP A 35 0.740 27.421 0.118 1.00 0.00 N ATOM 591 CA ASP A 35 1.051 26.871 1.443 1.00 0.00 C ATOM 592 C ASP A 35 -0.173 26.155 1.958 1.00 0.00 C ATOM 593 O ASP A 35 -0.086 25.217 2.728 1.00 0.00 O ATOM 594 CB ASP A 35 1.397 28.028 2.393 1.00 0.00 C ATOM 595 CG ASP A 35 1.944 27.458 3.703 1.00 0.00 C ATOM 596 OD1 ASP A 35 1.150 26.851 4.403 1.00 0.00 O ATOM 597 OD2 ASP A 35 3.126 27.662 3.932 1.00 0.00 O ATOM 0 H ASP A 35 0.705 28.439 0.056 1.00 0.00 H new ATOM 0 HA ASP A 35 1.893 26.182 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.135 28.684 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.511 28.632 2.587 1.00 0.00 H new ATOM 602 N LYS A 36 -1.307 26.615 1.504 1.00 0.00 N ATOM 603 CA LYS A 36 -2.563 25.995 1.933 1.00 0.00 C ATOM 604 C LYS A 36 -2.945 24.862 0.980 1.00 0.00 C ATOM 605 O LYS A 36 -3.747 24.008 1.300 1.00 0.00 O ATOM 606 CB LYS A 36 -3.651 27.073 1.945 1.00 0.00 C ATOM 607 CG LYS A 36 -3.434 27.979 3.165 1.00 0.00 C ATOM 608 CD LYS A 36 -4.400 29.161 3.093 1.00 0.00 C ATOM 609 CE LYS A 36 -3.859 30.310 3.946 1.00 0.00 C ATOM 610 NZ LYS A 36 -3.543 29.835 5.323 1.00 0.00 N ATOM 0 H LYS A 36 -1.404 27.395 0.854 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.450 25.571 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.612 27.660 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.638 26.613 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.597 27.416 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.405 28.336 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.519 29.485 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.386 28.862 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.963 30.724 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.594 31.114 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.490 30.649 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.289 29.186 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.630 29.338 5.318 1.00 0.00 H new ATOM 624 N ARG A 37 -2.377 24.876 -0.188 1.00 0.00 N ATOM 625 CA ARG A 37 -2.704 23.801 -1.144 1.00 0.00 C ATOM 626 C ARG A 37 -1.979 22.552 -0.692 1.00 0.00 C ATOM 627 O ARG A 37 -2.414 21.426 -0.915 1.00 0.00 O ATOM 628 CB ARG A 37 -2.188 24.202 -2.540 1.00 0.00 C ATOM 629 CG ARG A 37 -3.039 25.352 -3.074 1.00 0.00 C ATOM 630 CD ARG A 37 -3.196 25.213 -4.589 1.00 0.00 C ATOM 631 NE ARG A 37 -3.750 26.488 -5.131 1.00 0.00 N ATOM 632 CZ ARG A 37 -3.919 26.620 -6.417 1.00 0.00 C ATOM 633 NH1 ARG A 37 -4.765 25.840 -7.024 1.00 0.00 N ATOM 634 NH2 ARG A 37 -3.233 27.529 -7.053 1.00 0.00 N ATOM 0 H ARG A 37 -1.711 25.576 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.780 23.631 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.142 24.503 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.238 23.350 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.018 25.346 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.571 26.307 -2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.233 24.993 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.860 24.382 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.995 27.251 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.283 25.139 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.910 25.929 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.577 28.122 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.352 27.647 -8.059 1.00 0.00 H new ATOM 648 N ARG A 38 -0.894 22.799 -0.016 1.00 0.00 N ATOM 649 CA ARG A 38 -0.060 21.698 0.502 1.00 0.00 C ATOM 650 C ARG A 38 -0.513 21.239 1.879 1.00 0.00 C ATOM 651 O ARG A 38 -0.418 20.069 2.184 1.00 0.00 O ATOM 652 CB ARG A 38 1.394 22.213 0.590 1.00 0.00 C ATOM 653 CG ARG A 38 2.251 21.257 1.437 1.00 0.00 C ATOM 654 CD ARG A 38 2.334 19.894 0.746 1.00 0.00 C ATOM 655 NE ARG A 38 3.380 19.076 1.425 1.00 0.00 N ATOM 656 CZ ARG A 38 4.547 19.607 1.671 1.00 0.00 C ATOM 657 NH1 ARG A 38 4.688 20.360 2.730 1.00 0.00 N ATOM 658 NH2 ARG A 38 5.533 19.373 0.849 1.00 0.00 N ATOM 0 H ARG A 38 -0.550 23.735 0.199 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.145 20.844 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.817 22.301 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.407 23.210 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.251 21.670 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.817 21.147 2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.370 19.388 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.578 20.019 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 38 3.186 18.112 1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.894 20.524 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.592 20.783 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.385 18.783 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.452 19.780 1.026 1.00 0.00 H new ATOM 672 N ARG A 39 -1.002 22.141 2.709 1.00 0.00 N ATOM 673 CA ARG A 39 -1.428 21.655 4.032 1.00 0.00 C ATOM 674 C ARG A 39 -2.549 20.693 3.808 1.00 0.00 C ATOM 675 O ARG A 39 -2.675 19.712 4.513 1.00 0.00 O ATOM 676 CB ARG A 39 -1.862 22.821 4.965 1.00 0.00 C ATOM 677 CG ARG A 39 -3.050 23.560 4.388 1.00 0.00 C ATOM 678 CD ARG A 39 -4.352 22.941 4.892 1.00 0.00 C ATOM 679 NE ARG A 39 -4.290 22.807 6.376 1.00 0.00 N ATOM 680 CZ ARG A 39 -4.006 23.853 7.103 1.00 0.00 C ATOM 681 NH1 ARG A 39 -4.376 25.032 6.685 1.00 0.00 N ATOM 682 NH2 ARG A 39 -3.361 23.684 8.225 1.00 0.00 N ATOM 0 H ARG A 39 -1.114 23.138 2.526 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.596 21.165 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.116 22.429 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.030 23.512 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.006 24.612 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.018 23.521 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.199 23.564 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.506 21.964 4.433 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.468 21.906 6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.879 25.126 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.162 25.860 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.088 22.747 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.130 24.489 8.807 1.00 0.00 H new ATOM 696 N ILE A 40 -3.370 20.975 2.811 1.00 0.00 N ATOM 697 CA ILE A 40 -4.478 20.049 2.552 1.00 0.00 C ATOM 698 C ILE A 40 -3.868 18.738 2.109 1.00 0.00 C ATOM 699 O ILE A 40 -3.834 17.785 2.851 1.00 0.00 O ATOM 700 CB ILE A 40 -5.319 20.575 1.400 1.00 0.00 C ATOM 701 CG1 ILE A 40 -5.917 21.933 1.727 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.457 19.595 1.164 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.244 22.654 0.409 1.00 0.00 C ATOM 0 H ILE A 40 -3.307 21.786 2.195 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.095 19.937 3.443 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.685 20.679 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.819 21.815 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.216 22.523 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.077 19.949 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.048 18.616 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.063 19.516 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.675 23.632 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.331 22.781 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.959 22.062 -0.162 1.00 0.00 H new ATOM 715 N SER A 41 -3.367 18.725 0.888 1.00 0.00 N ATOM 716 CA SER A 41 -2.740 17.487 0.366 1.00 0.00 C ATOM 717 C SER A 41 -1.875 16.812 1.443 1.00 0.00 C ATOM 718 O SER A 41 -1.817 15.603 1.527 1.00 0.00 O ATOM 719 CB SER A 41 -1.832 17.902 -0.822 1.00 0.00 C ATOM 720 OG SER A 41 -0.506 17.585 -0.411 1.00 0.00 O ATOM 0 H SER A 41 -3.371 19.517 0.246 1.00 0.00 H new ATOM 0 HA SER A 41 -3.512 16.781 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.102 17.363 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.932 18.965 -1.041 1.00 0.00 H new ATOM 0 HG SER A 41 -0.011 17.207 -1.167 1.00 0.00 H new ATOM 726 N ALA A 42 -1.212 17.614 2.236 1.00 0.00 N ATOM 727 CA ALA A 42 -0.348 17.043 3.306 1.00 0.00 C ATOM 728 C ALA A 42 -1.184 16.432 4.421 1.00 0.00 C ATOM 729 O ALA A 42 -0.765 15.495 5.071 1.00 0.00 O ATOM 730 CB ALA A 42 0.502 18.178 3.895 1.00 0.00 C ATOM 0 H ALA A 42 -1.232 18.633 2.188 1.00 0.00 H new ATOM 0 HA ALA A 42 0.277 16.261 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.143 17.781 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.119 18.616 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.152 18.944 4.312 1.00 0.00 H new ATOM 736 N THR A 43 -2.349 16.974 4.626 1.00 0.00 N ATOM 737 CA THR A 43 -3.221 16.437 5.692 1.00 0.00 C ATOM 738 C THR A 43 -4.121 15.393 5.103 1.00 0.00 C ATOM 739 O THR A 43 -4.462 14.409 5.732 1.00 0.00 O ATOM 740 CB THR A 43 -4.077 17.578 6.239 1.00 0.00 C ATOM 741 OG1 THR A 43 -4.536 18.282 5.105 1.00 0.00 O ATOM 742 CG2 THR A 43 -3.213 18.590 7.000 1.00 0.00 C ATOM 0 H THR A 43 -2.730 17.762 4.102 1.00 0.00 H new ATOM 0 HA THR A 43 -2.619 16.001 6.489 1.00 0.00 H new ATOM 0 HB THR A 43 -4.856 17.176 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.010 19.101 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.844 19.393 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.718 18.092 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.462 19.005 6.328 1.00 0.00 H new ATOM 750 N THR A 44 -4.486 15.641 3.895 1.00 0.00 N ATOM 751 CA THR A 44 -5.360 14.722 3.182 1.00 0.00 C ATOM 752 C THR A 44 -4.533 13.640 2.504 1.00 0.00 C ATOM 753 O THR A 44 -5.052 12.630 2.072 1.00 0.00 O ATOM 754 CB THR A 44 -6.075 15.549 2.134 1.00 0.00 C ATOM 755 OG1 THR A 44 -5.058 16.245 1.479 1.00 0.00 O ATOM 756 CG2 THR A 44 -6.916 16.648 2.792 1.00 0.00 C ATOM 0 H THR A 44 -4.204 16.465 3.364 1.00 0.00 H new ATOM 0 HA THR A 44 -6.062 14.235 3.858 1.00 0.00 H new ATOM 0 HB THR A 44 -6.699 14.908 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.496 15.613 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.421 17.230 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.658 16.194 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.268 17.302 3.375 1.00 0.00 H new ATOM 764 N ASN A 45 -3.252 13.889 2.424 1.00 0.00 N ATOM 765 CA ASN A 45 -2.335 12.912 1.786 1.00 0.00 C ATOM 766 C ASN A 45 -2.632 12.730 0.299 1.00 0.00 C ATOM 767 O ASN A 45 -3.132 11.701 -0.113 1.00 0.00 O ATOM 768 CB ASN A 45 -2.492 11.559 2.502 1.00 0.00 C ATOM 769 CG ASN A 45 -2.685 11.804 4.000 1.00 0.00 C ATOM 770 OD1 ASN A 45 -3.795 11.897 4.488 1.00 0.00 O ATOM 771 ND2 ASN A 45 -1.633 11.916 4.763 1.00 0.00 N ATOM 0 H ASN A 45 -2.803 14.734 2.777 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.317 13.291 1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.346 11.016 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.611 10.940 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.744 12.081 5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.700 11.839 4.359 1.00 0.00 H new ATOM 778 N LEU A 46 -2.317 13.744 -0.483 1.00 0.00 N ATOM 779 CA LEU A 46 -2.573 13.649 -1.961 1.00 0.00 C ATOM 780 C LEU A 46 -1.299 13.932 -2.750 1.00 0.00 C ATOM 781 O LEU A 46 -0.425 13.093 -2.829 1.00 0.00 O ATOM 782 CB LEU A 46 -3.629 14.677 -2.354 1.00 0.00 C ATOM 783 CG LEU A 46 -4.870 14.480 -1.487 1.00 0.00 C ATOM 784 CD1 LEU A 46 -5.641 15.793 -1.398 1.00 0.00 C ATOM 785 CD2 LEU A 46 -5.768 13.424 -2.130 1.00 0.00 C ATOM 0 H LEU A 46 -1.900 14.620 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.916 12.640 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.237 15.686 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.886 14.567 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.569 14.160 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.527 15.653 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.005 16.559 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.942 16.107 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.656 13.279 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.065 13.756 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.224 12.483 -2.209 1.00 0.00 H new ATOM 797 N SER A 47 -1.206 15.111 -3.329 1.00 0.00 N ATOM 798 CA SER A 47 0.022 15.421 -4.106 1.00 0.00 C ATOM 799 C SER A 47 0.115 16.897 -4.512 1.00 0.00 C ATOM 800 O SER A 47 0.808 17.217 -5.449 1.00 0.00 O ATOM 801 CB SER A 47 0.001 14.568 -5.381 1.00 0.00 C ATOM 802 OG SER A 47 1.306 14.013 -5.451 1.00 0.00 O ATOM 0 H SER A 47 -1.911 15.847 -3.295 1.00 0.00 H new ATOM 0 HA SER A 47 0.883 15.203 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.760 13.790 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.223 15.172 -6.260 1.00 0.00 H new ATOM 0 HG SER A 47 1.378 13.446 -6.247 1.00 0.00 H new ATOM 808 N GLU A 48 -0.585 17.765 -3.803 1.00 0.00 N ATOM 809 CA GLU A 48 -0.538 19.224 -4.141 1.00 0.00 C ATOM 810 C GLU A 48 -1.157 19.474 -5.495 1.00 0.00 C ATOM 811 O GLU A 48 -2.105 20.223 -5.618 1.00 0.00 O ATOM 812 CB GLU A 48 0.916 19.679 -4.146 1.00 0.00 C ATOM 813 CG GLU A 48 1.626 19.017 -2.963 1.00 0.00 C ATOM 814 CD GLU A 48 2.955 19.727 -2.700 1.00 0.00 C ATOM 815 OE1 GLU A 48 2.902 20.936 -2.546 1.00 0.00 O ATOM 816 OE2 GLU A 48 3.948 19.020 -2.667 1.00 0.00 O ATOM 0 H GLU A 48 -1.181 17.523 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.103 19.786 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.398 19.401 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.975 20.764 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.995 19.063 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.801 17.962 -3.175 1.00 0.00 H new ATOM 823 N ARG A 49 -0.617 18.852 -6.493 1.00 0.00 N ATOM 824 CA ARG A 49 -1.176 19.049 -7.839 1.00 0.00 C ATOM 825 C ARG A 49 -2.522 18.373 -7.886 1.00 0.00 C ATOM 826 O ARG A 49 -3.398 18.757 -8.630 1.00 0.00 O ATOM 827 CB ARG A 49 -0.238 18.397 -8.868 1.00 0.00 C ATOM 828 CG ARG A 49 -0.694 18.771 -10.284 1.00 0.00 C ATOM 829 CD ARG A 49 -0.171 20.167 -10.629 1.00 0.00 C ATOM 830 NE ARG A 49 1.312 20.169 -10.502 1.00 0.00 N ATOM 831 CZ ARG A 49 1.927 21.275 -10.187 1.00 0.00 C ATOM 832 NH1 ARG A 49 1.806 22.311 -10.973 1.00 0.00 N ATOM 833 NH2 ARG A 49 2.645 21.308 -9.100 1.00 0.00 N ATOM 0 H ARG A 49 0.182 18.220 -6.433 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.278 20.110 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.787 18.730 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.244 17.314 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.321 18.042 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.782 18.752 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.463 20.439 -11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.608 20.909 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 49 1.843 19.312 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.238 22.247 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.280 23.184 -10.742 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.719 20.478 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.133 22.164 -8.837 1.00 0.00 H new ATOM 847 N GLN A 50 -2.657 17.366 -7.064 1.00 0.00 N ATOM 848 CA GLN A 50 -3.921 16.625 -7.009 1.00 0.00 C ATOM 849 C GLN A 50 -4.975 17.468 -6.312 1.00 0.00 C ATOM 850 O GLN A 50 -6.118 17.494 -6.719 1.00 0.00 O ATOM 851 CB GLN A 50 -3.689 15.341 -6.201 1.00 0.00 C ATOM 852 CG GLN A 50 -5.030 14.649 -5.965 1.00 0.00 C ATOM 853 CD GLN A 50 -4.853 13.136 -6.110 1.00 0.00 C ATOM 854 OE1 GLN A 50 -5.406 12.347 -5.231 1.00 0.00 O flip ATOM 855 NE2 GLN A 50 -4.212 12.658 -7.026 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.932 17.033 -6.429 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.261 16.387 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.012 14.676 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.215 15.577 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.405 14.889 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.769 15.010 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.777 13.269 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.110 11.646 -7.103 1.00 0.00 H new ATOM 864 N VAL A 51 -4.571 18.155 -5.263 1.00 0.00 N ATOM 865 CA VAL A 51 -5.556 18.998 -4.544 1.00 0.00 C ATOM 866 C VAL A 51 -6.027 20.081 -5.475 1.00 0.00 C ATOM 867 O VAL A 51 -7.204 20.314 -5.627 1.00 0.00 O ATOM 868 CB VAL A 51 -4.889 19.631 -3.326 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.965 19.987 -2.294 1.00 0.00 C ATOM 870 CG2 VAL A 51 -3.920 18.628 -2.718 1.00 0.00 C ATOM 0 H VAL A 51 -3.622 18.162 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.400 18.391 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.351 20.532 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.496 20.440 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.671 20.692 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.494 19.083 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.438 19.070 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.464 17.733 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.163 18.361 -3.455 1.00 0.00 H new ATOM 880 N THR A 52 -5.097 20.736 -6.084 1.00 0.00 N ATOM 881 CA THR A 52 -5.485 21.798 -7.008 1.00 0.00 C ATOM 882 C THR A 52 -6.449 21.209 -8.005 1.00 0.00 C ATOM 883 O THR A 52 -7.420 21.827 -8.393 1.00 0.00 O ATOM 884 CB THR A 52 -4.227 22.277 -7.717 1.00 0.00 C ATOM 885 OG1 THR A 52 -4.280 23.683 -7.672 1.00 0.00 O ATOM 886 CG2 THR A 52 -4.242 21.933 -9.219 1.00 0.00 C ATOM 0 H THR A 52 -4.094 20.580 -5.980 1.00 0.00 H new ATOM 0 HA THR A 52 -5.957 22.635 -6.493 1.00 0.00 H new ATOM 0 HB THR A 52 -3.358 21.819 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.284 24.040 -8.585 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.325 22.294 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.311 20.852 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.101 22.409 -9.693 1.00 0.00 H new ATOM 894 N ILE A 53 -6.148 20.004 -8.406 1.00 0.00 N ATOM 895 CA ILE A 53 -7.009 19.326 -9.369 1.00 0.00 C ATOM 896 C ILE A 53 -8.286 18.957 -8.658 1.00 0.00 C ATOM 897 O ILE A 53 -9.346 18.889 -9.251 1.00 0.00 O ATOM 898 CB ILE A 53 -6.273 18.056 -9.863 1.00 0.00 C ATOM 899 CG1 ILE A 53 -5.649 18.303 -11.242 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.265 16.874 -9.968 1.00 0.00 C ATOM 901 CD1 ILE A 53 -6.694 18.890 -12.205 1.00 0.00 C ATOM 0 H ILE A 53 -5.335 19.471 -8.097 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.239 19.959 -10.226 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.488 17.816 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.805 18.987 -11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.259 17.368 -11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.737 15.986 -10.316 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.701 16.677 -8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.057 17.125 -10.673 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.236 19.060 -13.179 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.524 18.192 -12.311 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.064 19.835 -11.808 1.00 0.00 H new ATOM 913 N TRP A 54 -8.165 18.742 -7.373 1.00 0.00 N ATOM 914 CA TRP A 54 -9.341 18.385 -6.604 1.00 0.00 C ATOM 915 C TRP A 54 -10.244 19.579 -6.576 1.00 0.00 C ATOM 916 O TRP A 54 -11.434 19.477 -6.761 1.00 0.00 O ATOM 917 CB TRP A 54 -8.905 18.042 -5.157 1.00 0.00 C ATOM 918 CG TRP A 54 -10.000 17.257 -4.453 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.176 16.979 -4.995 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.869 16.683 -3.272 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.764 16.186 -4.100 1.00 0.00 N ATOM 922 CE2 TRP A 54 -11.010 15.943 -2.982 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.831 16.728 -2.320 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -11.126 15.255 -1.809 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.973 16.024 -1.131 1.00 0.00 C ATOM 926 CH2 TRP A 54 -10.123 15.292 -0.887 1.00 0.00 C ATOM 0 H TRP A 54 -7.295 18.804 -6.845 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.851 17.528 -7.044 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.984 17.460 -5.175 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.692 18.958 -4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.568 17.317 -5.943 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.696 15.793 -4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.937 17.302 -2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -12.017 14.678 -1.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.184 16.048 -0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.226 14.747 0.040 1.00 0.00 H new ATOM 937 N PHE A 55 -9.653 20.720 -6.392 1.00 0.00 N ATOM 938 CA PHE A 55 -10.486 21.932 -6.354 1.00 0.00 C ATOM 939 C PHE A 55 -11.246 22.118 -7.659 1.00 0.00 C ATOM 940 O PHE A 55 -12.398 22.509 -7.659 1.00 0.00 O ATOM 941 CB PHE A 55 -9.583 23.122 -6.099 1.00 0.00 C ATOM 942 CG PHE A 55 -9.352 23.188 -4.604 1.00 0.00 C ATOM 943 CD1 PHE A 55 -10.375 23.581 -3.767 1.00 0.00 C ATOM 944 CD2 PHE A 55 -8.151 22.782 -4.058 1.00 0.00 C ATOM 945 CE1 PHE A 55 -10.206 23.563 -2.407 1.00 0.00 C ATOM 946 CE2 PHE A 55 -7.983 22.764 -2.693 1.00 0.00 C ATOM 947 CZ PHE A 55 -9.013 23.158 -1.866 1.00 0.00 C ATOM 0 H PHE A 55 -8.650 20.860 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.224 21.839 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.638 23.010 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.045 24.041 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.316 23.905 -4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.341 22.478 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -11.015 23.869 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.044 22.441 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.881 23.148 -0.794 1.00 0.00 H new ATOM 957 N GLN A 56 -10.599 21.833 -8.747 1.00 0.00 N ATOM 958 CA GLN A 56 -11.282 21.990 -10.048 1.00 0.00 C ATOM 959 C GLN A 56 -12.389 20.971 -10.173 1.00 0.00 C ATOM 960 O GLN A 56 -13.449 21.256 -10.695 1.00 0.00 O ATOM 961 CB GLN A 56 -10.269 21.741 -11.150 1.00 0.00 C ATOM 962 CG GLN A 56 -10.690 22.503 -12.408 1.00 0.00 C ATOM 963 CD GLN A 56 -9.983 21.898 -13.624 1.00 0.00 C ATOM 964 OE1 GLN A 56 -9.175 22.538 -14.266 1.00 0.00 O ATOM 965 NE2 GLN A 56 -10.257 20.669 -13.973 1.00 0.00 N ATOM 0 H GLN A 56 -9.635 21.501 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.703 22.993 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.279 22.065 -10.829 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.202 20.674 -11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.771 22.448 -12.536 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.434 23.558 -12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.935 20.126 -13.438 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.793 20.253 -14.780 1.00 0.00 H new ATOM 974 N ASN A 57 -12.128 19.792 -9.683 1.00 0.00 N ATOM 975 CA ASN A 57 -13.152 18.748 -9.763 1.00 0.00 C ATOM 976 C ASN A 57 -14.267 19.130 -8.849 1.00 0.00 C ATOM 977 O ASN A 57 -15.383 18.683 -8.982 1.00 0.00 O ATOM 978 CB ASN A 57 -12.542 17.414 -9.302 1.00 0.00 C ATOM 979 CG ASN A 57 -12.953 16.308 -10.273 1.00 0.00 C ATOM 980 OD1 ASN A 57 -14.083 15.862 -10.281 1.00 0.00 O ATOM 981 ND2 ASN A 57 -12.067 15.837 -11.106 1.00 0.00 N ATOM 0 H ASN A 57 -11.253 19.519 -9.236 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.520 18.641 -10.784 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.456 17.493 -9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.882 17.174 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.324 15.098 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.117 16.208 -11.104 1.00 0.00 H new ATOM 988 N ARG A 58 -13.932 19.964 -7.925 1.00 0.00 N ATOM 989 CA ARG A 58 -14.927 20.424 -6.969 1.00 0.00 C ATOM 990 C ARG A 58 -15.730 21.524 -7.621 1.00 0.00 C ATOM 991 O ARG A 58 -16.843 21.816 -7.226 1.00 0.00 O ATOM 992 CB ARG A 58 -14.189 20.982 -5.746 1.00 0.00 C ATOM 993 CG ARG A 58 -14.836 20.444 -4.461 1.00 0.00 C ATOM 994 CD ARG A 58 -16.088 21.267 -4.140 1.00 0.00 C ATOM 995 NE ARG A 58 -17.271 20.363 -4.120 1.00 0.00 N ATOM 996 CZ ARG A 58 -18.462 20.874 -3.986 1.00 0.00 C ATOM 997 NH1 ARG A 58 -18.704 22.050 -4.500 1.00 0.00 N ATOM 998 NH2 ARG A 58 -19.371 20.197 -3.341 1.00 0.00 N ATOM 0 H ARG A 58 -12.995 20.347 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.589 19.613 -6.664 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.138 20.697 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.224 22.071 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.100 19.394 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.129 20.499 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.976 21.762 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.225 22.050 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.150 19.354 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.967 22.551 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.630 22.467 -4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.144 19.282 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.309 20.582 -3.227 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.145 22.113 -8.643 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.854 23.201 -9.348 1.00 0.00 C ATOM 1014 C ARG A 59 -16.713 22.577 -10.414 1.00 0.00 C ATOM 1015 O ARG A 59 -17.638 23.176 -10.928 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.812 24.126 -10.001 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.465 24.900 -11.146 1.00 0.00 C ATOM 1018 CD ARG A 59 -14.566 26.079 -11.527 1.00 0.00 C ATOM 1019 NE ARG A 59 -14.992 26.604 -12.853 1.00 0.00 N ATOM 1020 CZ ARG A 59 -15.165 27.888 -13.008 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -14.117 28.664 -13.057 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -16.381 28.351 -13.107 1.00 0.00 N ATOM 0 H ARG A 59 -14.220 21.882 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.470 23.779 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.411 24.819 -9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.973 23.539 -10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.613 24.247 -12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.449 25.259 -10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.633 26.863 -10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.524 25.761 -11.565 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.147 25.966 -13.633 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.182 28.264 -12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.233 29.670 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.175 27.712 -13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.537 29.352 -13.229 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.372 21.363 -10.718 1.00 0.00 N ATOM 1037 CA VAL A 60 -17.106 20.608 -11.735 1.00 0.00 C ATOM 1038 C VAL A 60 -18.229 19.818 -11.070 1.00 0.00 C ATOM 1039 O VAL A 60 -19.187 19.428 -11.705 1.00 0.00 O ATOM 1040 CB VAL A 60 -16.091 19.654 -12.409 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.369 18.192 -12.019 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -16.210 19.795 -13.928 1.00 0.00 C ATOM 0 H VAL A 60 -15.596 20.859 -10.289 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.556 21.268 -12.477 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.088 19.919 -12.076 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.642 17.541 -12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.288 18.082 -10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.374 17.915 -12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.498 19.126 -14.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.222 19.535 -14.239 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.995 20.824 -14.216 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.066 19.584 -9.792 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.094 18.827 -9.043 1.00 0.00 C ATOM 1054 C LYS A 61 -20.122 19.774 -8.439 1.00 0.00 C ATOM 1055 O LYS A 61 -21.240 19.386 -8.161 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.400 18.064 -7.903 1.00 0.00 C ATOM 1057 CG LYS A 61 -19.221 16.818 -7.563 1.00 0.00 C ATOM 1058 CD LYS A 61 -18.353 15.848 -6.754 1.00 0.00 C ATOM 1059 CE LYS A 61 -19.245 14.772 -6.127 1.00 0.00 C ATOM 1060 NZ LYS A 61 -19.138 13.498 -6.887 1.00 0.00 N ATOM 0 H LYS A 61 -17.263 19.888 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.600 18.142 -9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.391 17.780 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.306 18.703 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.106 17.096 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.570 16.337 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.606 15.386 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.813 16.388 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.953 14.609 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.281 15.111 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.749 12.780 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.438 13.654 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.152 13.168 -6.874 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.724 21.009 -8.244 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.659 21.991 -7.662 1.00 0.00 C ATOM 1076 C GLU A 62 -21.776 22.287 -8.633 1.00 0.00 C ATOM 1077 O GLU A 62 -22.864 22.654 -8.243 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.876 23.284 -7.381 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.903 24.190 -8.615 1.00 0.00 C ATOM 1080 CD GLU A 62 -21.202 25.000 -8.620 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -21.405 25.703 -7.644 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -21.918 24.868 -9.600 1.00 0.00 O ATOM 0 H GLU A 62 -18.795 21.367 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.091 21.592 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.311 23.804 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.846 23.045 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.043 24.860 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.832 23.590 -9.522 1.00 0.00 H new ATOM 1089 N LYS A 63 -21.483 22.131 -9.884 1.00 0.00 N ATOM 1090 CA LYS A 63 -22.511 22.395 -10.903 1.00 0.00 C ATOM 1091 C LYS A 63 -23.308 21.133 -11.212 1.00 0.00 C ATOM 1092 O LYS A 63 -24.303 21.183 -11.907 1.00 0.00 O ATOM 1093 CB LYS A 63 -21.821 22.878 -12.185 1.00 0.00 C ATOM 1094 CG LYS A 63 -20.963 21.752 -12.744 1.00 0.00 C ATOM 1095 CD LYS A 63 -20.359 22.202 -14.078 1.00 0.00 C ATOM 1096 CE LYS A 63 -20.216 20.990 -15.001 1.00 0.00 C ATOM 1097 NZ LYS A 63 -19.917 21.427 -16.394 1.00 0.00 N ATOM 0 H LYS A 63 -20.576 21.832 -10.242 1.00 0.00 H new ATOM 0 HA LYS A 63 -23.196 23.153 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.565 23.184 -12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.204 23.751 -11.974 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.172 21.496 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.565 20.855 -12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.995 22.955 -14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.386 22.665 -13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.419 20.341 -14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.135 20.404 -14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.823 20.592 -17.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.691 22.028 -16.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.028 21.967 -16.405 1.00 0.00 H new ATOM 1111 N LYS A 64 -22.857 20.018 -10.692 1.00 0.00 N ATOM 1112 CA LYS A 64 -23.584 18.756 -10.953 1.00 0.00 C ATOM 1113 C LYS A 64 -24.815 18.691 -10.085 1.00 0.00 C ATOM 1114 O LYS A 64 -25.437 17.657 -9.951 1.00 0.00 O ATOM 1115 CB LYS A 64 -22.669 17.569 -10.606 1.00 0.00 C ATOM 1116 CG LYS A 64 -23.212 16.303 -11.282 1.00 0.00 C ATOM 1117 CD LYS A 64 -23.372 15.196 -10.236 1.00 0.00 C ATOM 1118 CE LYS A 64 -23.482 13.844 -10.948 1.00 0.00 C ATOM 1119 NZ LYS A 64 -22.283 13.006 -10.667 1.00 0.00 N ATOM 0 H LYS A 64 -22.026 19.935 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 64 -23.874 18.715 -12.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -21.651 17.768 -10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -22.627 17.430 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -24.171 16.513 -11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -22.533 15.978 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -22.520 15.195 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -24.261 15.376 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -24.381 13.325 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -23.580 13.999 -12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -22.375 12.093 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -21.430 13.496 -11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -22.206 12.842 -9.643 1.00 0.00 H new ATOM 1133 N VAL A 65 -25.144 19.807 -9.507 1.00 0.00 N ATOM 1134 CA VAL A 65 -26.334 19.854 -8.633 1.00 0.00 C ATOM 1135 C VAL A 65 -27.036 21.199 -8.761 1.00 0.00 C ATOM 1136 O VAL A 65 -27.915 21.520 -7.986 1.00 0.00 O ATOM 1137 CB VAL A 65 -25.865 19.660 -7.182 1.00 0.00 C ATOM 1138 CG1 VAL A 65 -25.309 20.982 -6.649 1.00 0.00 C ATOM 1139 CG2 VAL A 65 -27.043 19.219 -6.317 1.00 0.00 C ATOM 0 H VAL A 65 -24.638 20.687 -9.604 1.00 0.00 H new ATOM 0 HA VAL A 65 -27.035 19.071 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 65 -25.088 18.896 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -24.975 20.848 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -24.467 21.297 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -26.088 21.744 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -26.708 19.082 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -27.822 19.981 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -27.441 18.278 -6.697 1.00 0.00 H new ATOM 1149 N ILE A 66 -26.624 21.958 -9.748 1.00 0.00 N ATOM 1150 CA ILE A 66 -27.235 23.294 -9.975 1.00 0.00 C ATOM 1151 C ILE A 66 -27.935 23.322 -11.326 1.00 0.00 C ATOM 1152 O ILE A 66 -28.499 24.323 -11.719 1.00 0.00 O ATOM 1153 CB ILE A 66 -26.113 24.337 -9.974 1.00 0.00 C ATOM 1154 CG1 ILE A 66 -26.687 25.714 -9.700 1.00 0.00 C ATOM 1155 CG2 ILE A 66 -25.452 24.353 -11.363 1.00 0.00 C ATOM 1156 CD1 ILE A 66 -25.550 26.651 -9.292 1.00 0.00 C ATOM 0 H ILE A 66 -25.887 21.703 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 66 -27.963 23.507 -9.192 1.00 0.00 H new ATOM 0 HB ILE A 66 -25.386 24.084 -9.202 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -27.190 26.096 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -27.434 25.660 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -24.651 25.092 -11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -25.041 23.368 -11.581 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -26.196 24.611 -12.117 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -25.951 27.645 -9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -25.067 26.267 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -24.820 26.710 -10.099 1.00 0.00 H new ATOM 1168 N ASN A 67 -27.882 22.212 -12.012 1.00 0.00 N ATOM 1169 CA ASN A 67 -28.533 22.134 -13.342 1.00 0.00 C ATOM 1170 C ASN A 67 -30.048 22.059 -13.206 1.00 0.00 C ATOM 1171 O ASN A 67 -30.761 22.026 -14.190 1.00 0.00 O ATOM 1172 CB ASN A 67 -28.040 20.855 -14.035 1.00 0.00 C ATOM 1173 CG ASN A 67 -28.163 21.015 -15.551 1.00 0.00 C ATOM 1174 OD1 ASN A 67 -28.778 22.061 -16.031 1.00 0.00 O flip ATOM 1175 ND2 ASN A 67 -27.701 20.190 -16.313 1.00 0.00 N flip ATOM 0 H ASN A 67 -27.415 21.359 -11.705 1.00 0.00 H new ATOM 0 HA ASN A 67 -28.281 23.025 -13.917 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -27.003 20.658 -13.763 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -28.626 19.999 -13.700 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -27.219 19.370 -15.945 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -27.795 20.317 -17.321 1.00 0.00 H new ATOM 1182 N LYS A 68 -30.510 22.028 -11.985 1.00 0.00 N ATOM 1183 CA LYS A 68 -31.977 21.954 -11.755 1.00 0.00 C ATOM 1184 C LYS A 68 -32.363 22.789 -10.541 1.00 0.00 C ATOM 1185 O LYS A 68 -31.959 23.930 -10.419 1.00 0.00 O ATOM 1186 CB LYS A 68 -32.354 20.482 -11.492 1.00 0.00 C ATOM 1187 CG LYS A 68 -32.093 19.653 -12.755 1.00 0.00 C ATOM 1188 CD LYS A 68 -32.127 18.165 -12.399 1.00 0.00 C ATOM 1189 CE LYS A 68 -32.107 17.341 -13.688 1.00 0.00 C ATOM 1190 NZ LYS A 68 -30.759 16.744 -13.908 1.00 0.00 N ATOM 0 H LYS A 68 -29.936 22.051 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 68 -32.503 22.338 -12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -31.770 20.089 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -33.404 20.410 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -32.846 19.875 -13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -31.125 19.915 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -31.271 17.908 -11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -33.023 17.937 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -32.856 16.551 -13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -32.373 17.974 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -30.765 16.189 -14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -30.051 17.502 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -30.519 16.124 -13.108 1.00 0.00 H new ATOM 1204 N LEU A 69 -33.136 22.213 -9.661 1.00 0.00 N ATOM 1205 CA LEU A 69 -33.549 22.970 -8.453 1.00 0.00 C ATOM 1206 C LEU A 69 -34.499 24.110 -8.818 1.00 0.00 C ATOM 1207 O LEU A 69 -34.550 24.547 -9.951 1.00 0.00 O ATOM 1208 CB LEU A 69 -32.281 23.565 -7.810 1.00 0.00 C ATOM 1209 CG LEU A 69 -32.271 23.262 -6.308 1.00 0.00 C ATOM 1210 CD1 LEU A 69 -33.497 23.909 -5.650 1.00 0.00 C ATOM 1211 CD2 LEU A 69 -32.302 21.739 -6.095 1.00 0.00 C ATOM 0 H LEU A 69 -33.495 21.260 -9.728 1.00 0.00 H new ATOM 0 HA LEU A 69 -34.066 22.299 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -31.392 23.146 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -32.250 24.642 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 69 -31.366 23.668 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -33.492 23.695 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.466 24.988 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.405 23.505 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -32.295 21.521 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -33.206 21.327 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -31.427 21.288 -6.563 1.00 0.00 H new ATOM 1223 N LYS A 70 -35.238 24.567 -7.842 1.00 0.00 N ATOM 1224 CA LYS A 70 -36.195 25.676 -8.095 1.00 0.00 C ATOM 1225 C LYS A 70 -37.176 25.321 -9.208 1.00 0.00 C ATOM 1226 O LYS A 70 -37.263 24.183 -9.623 1.00 0.00 O ATOM 1227 CB LYS A 70 -35.399 26.927 -8.507 1.00 0.00 C ATOM 1228 CG LYS A 70 -35.253 27.860 -7.297 1.00 0.00 C ATOM 1229 CD LYS A 70 -36.634 28.397 -6.898 1.00 0.00 C ATOM 1230 CE LYS A 70 -36.478 29.812 -6.331 1.00 0.00 C ATOM 1231 NZ LYS A 70 -35.858 29.766 -4.978 1.00 0.00 N ATOM 0 H LYS A 70 -35.218 24.219 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 70 -36.765 25.859 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -34.416 26.640 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -35.909 27.444 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -34.804 27.323 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -34.585 28.687 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -37.297 28.410 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -37.092 27.743 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -35.861 30.412 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -37.452 30.297 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -35.759 30.733 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -36.461 29.211 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -34.920 29.322 -5.041 1.00 0.00 H new ATOM 1245 N THR A 71 -37.895 26.310 -9.672 1.00 0.00 N ATOM 1246 CA THR A 71 -38.878 26.060 -10.758 1.00 0.00 C ATOM 1247 C THR A 71 -38.194 25.635 -12.053 1.00 0.00 C ATOM 1248 O THR A 71 -37.149 25.016 -12.037 1.00 0.00 O ATOM 1249 CB THR A 71 -39.651 27.358 -11.016 1.00 0.00 C ATOM 1250 OG1 THR A 71 -40.608 27.032 -12.002 1.00 0.00 O ATOM 1251 CG2 THR A 71 -38.751 28.409 -11.685 1.00 0.00 C ATOM 0 H THR A 71 -37.842 27.275 -9.345 1.00 0.00 H new ATOM 0 HA THR A 71 -39.541 25.254 -10.444 1.00 0.00 H new ATOM 0 HB THR A 71 -40.052 27.741 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 71 -40.848 26.085 -11.924 1.00 0.00 H new ATOM 0 HG21 THR A 71 -39.323 29.321 -11.858 1.00 0.00 H new ATOM 0 HG22 THR A 71 -37.904 28.629 -11.035 1.00 0.00 H new ATOM 0 HG23 THR A 71 -38.387 28.023 -12.637 1.00 0.00 H new ATOM 1259 N THR A 72 -38.808 25.977 -13.156 1.00 0.00 N ATOM 1260 CA THR A 72 -38.223 25.610 -14.470 1.00 0.00 C ATOM 1261 C THR A 72 -36.725 25.891 -14.507 1.00 0.00 C ATOM 1262 O THR A 72 -35.924 24.984 -14.621 1.00 0.00 O ATOM 1263 CB THR A 72 -38.911 26.451 -15.555 1.00 0.00 C ATOM 1264 OG1 THR A 72 -38.380 27.752 -15.411 1.00 0.00 O ATOM 1265 CG2 THR A 72 -40.413 26.610 -15.259 1.00 0.00 C ATOM 0 H THR A 72 -39.687 26.493 -13.199 1.00 0.00 H new ATOM 0 HA THR A 72 -38.376 24.544 -14.638 1.00 0.00 H new ATOM 0 HB THR A 72 -38.763 25.987 -16.530 1.00 0.00 H new ATOM 0 HG1 THR A 72 -38.780 28.345 -16.081 1.00 0.00 H new ATOM 0 HG21 THR A 72 -40.877 27.210 -16.042 1.00 0.00 H new ATOM 0 HG22 THR A 72 -40.884 25.627 -15.228 1.00 0.00 H new ATOM 0 HG23 THR A 72 -40.544 27.106 -14.297 1.00 0.00 H new ATOM 1273 N SER A 73 -36.371 27.144 -14.414 1.00 0.00 N ATOM 1274 CA SER A 73 -34.931 27.496 -14.443 1.00 0.00 C ATOM 1275 C SER A 73 -34.698 28.879 -13.849 1.00 0.00 C ATOM 1276 O SER A 73 -33.568 29.114 -13.453 1.00 0.00 O ATOM 1277 CB SER A 73 -34.467 27.502 -15.909 1.00 0.00 C ATOM 1278 OG SER A 73 -33.399 26.565 -15.939 1.00 0.00 O ATOM 1279 OXT SER A 73 -35.662 29.625 -13.822 1.00 0.00 O ATOM 0 H SER A 73 -37.014 27.930 -14.320 1.00 0.00 H new ATOM 0 HA SER A 73 -34.373 26.767 -13.855 1.00 0.00 H new ATOM 0 HB2 SER A 73 -35.272 27.210 -16.583 1.00 0.00 H new ATOM 0 HB3 SER A 73 -34.136 28.493 -16.218 1.00 0.00 H new ATOM 0 HG SER A 73 -33.042 26.505 -16.850 1.00 0.00 H new TER 1285 SER A 73