USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, 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 63 THR OG1 : rot 123:sc= 0.186 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.546 K(o=0.73,f=-1.2) USER MOD Set 1.3: A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.681 K(o=-0.23,f=-1.3) USER MOD Set 2.2: A 47 HIS :FLIP no HD1:sc= -0.914 F(o=-1.4,f=-0.23) USER MOD Single : A 14 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.21) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.159 (180deg=0.154) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.379) USER MOD Single : A 33 THR OG1 : rot -70:sc= -1.23 USER MOD Single : A 35 SER OG : rot -100:sc= -0.138 USER MOD Single : A 38 SER OG : rot -75:sc= 0.926 USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.848 USER MOD Single : A 44 MET CE :methyl 168:sc= -17! (180deg=-18.6!) USER MOD Single : A 48 THR OG1 : rot -63:sc= 0.397 USER MOD Single : A 52 TYR OH : rot -118:sc= 0.373 USER MOD Single : A 53 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.77) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.294 F(o=-2.3,f=-0.29) USER MOD Single : A 57 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -5.54! C(o=-9.2!,f=-5.5!) USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00535) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 12.485 7.715 -13.802 1.00 0.00 N ATOM 2 CA GLY A 8 11.073 7.341 -14.100 1.00 0.00 C ATOM 3 C GLY A 8 10.633 6.213 -13.165 1.00 0.00 C ATOM 4 O GLY A 8 10.031 6.451 -12.135 1.00 0.00 O ATOM 0 HA2 GLY A 8 10.422 8.206 -13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.982 7.023 -15.138 1.00 0.00 H new ATOM 8 N VAL A 9 10.930 4.986 -13.518 1.00 0.00 N ATOM 9 CA VAL A 9 10.530 3.832 -12.651 1.00 0.00 C ATOM 10 C VAL A 9 11.418 3.769 -11.400 1.00 0.00 C ATOM 11 O VAL A 9 12.622 3.937 -11.471 1.00 0.00 O ATOM 12 CB VAL A 9 10.715 2.572 -13.514 1.00 0.00 C ATOM 13 CG1 VAL A 9 9.776 2.633 -14.722 1.00 0.00 C ATOM 14 CG2 VAL A 9 12.167 2.467 -14.000 1.00 0.00 C ATOM 0 H VAL A 9 11.432 4.733 -14.369 1.00 0.00 H new ATOM 0 HA VAL A 9 9.501 3.927 -12.305 1.00 0.00 H new ATOM 0 HB VAL A 9 10.479 1.696 -12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.909 1.739 -15.332 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.743 2.687 -14.378 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.006 3.516 -15.318 1.00 0.00 H new ATOM 0 HG21 VAL A 9 12.283 1.571 -14.609 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.416 3.345 -14.596 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.835 2.410 -13.141 1.00 0.00 H new ATOM 24 N PHE A 10 10.827 3.534 -10.255 1.00 0.00 N ATOM 25 CA PHE A 10 11.617 3.461 -8.992 1.00 0.00 C ATOM 26 C PHE A 10 10.872 2.639 -7.935 1.00 0.00 C ATOM 27 O PHE A 10 9.658 2.552 -7.934 1.00 0.00 O ATOM 28 CB PHE A 10 11.763 4.922 -8.526 1.00 0.00 C ATOM 29 CG PHE A 10 11.958 4.976 -7.018 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.842 4.996 -6.170 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.248 4.997 -6.472 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.011 5.034 -4.780 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.419 5.034 -5.082 1.00 0.00 C ATOM 34 CZ PHE A 10 12.303 5.054 -4.235 1.00 0.00 C ATOM 0 H PHE A 10 9.824 3.389 -10.143 1.00 0.00 H new ATOM 0 HA PHE A 10 12.582 2.978 -9.144 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.612 5.388 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.876 5.491 -8.806 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.847 4.982 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.110 4.985 -7.122 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.149 5.048 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.414 5.047 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.438 5.085 -3.164 1.00 0.00 H new ATOM 44 N VAL A 11 11.606 2.081 -7.012 1.00 0.00 N ATOM 45 CA VAL A 11 10.985 1.302 -5.906 1.00 0.00 C ATOM 46 C VAL A 11 11.641 1.735 -4.596 1.00 0.00 C ATOM 47 O VAL A 11 12.849 1.686 -4.471 1.00 0.00 O ATOM 48 CB VAL A 11 11.265 -0.179 -6.203 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.771 -0.422 -6.369 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.742 -1.031 -5.043 1.00 0.00 C ATOM 0 H VAL A 11 12.624 2.133 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 11 9.911 1.466 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 11 10.762 -0.453 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.948 -1.477 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.148 0.181 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.288 -0.143 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.938 -2.084 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.247 -0.740 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.669 -0.876 -4.933 1.00 0.00 H new ATOM 60 N ASP A 12 10.854 2.184 -3.643 1.00 0.00 N ATOM 61 CA ASP A 12 11.408 2.658 -2.328 1.00 0.00 C ATOM 62 C ASP A 12 12.714 1.937 -1.966 1.00 0.00 C ATOM 63 O ASP A 12 12.702 0.831 -1.460 1.00 0.00 O ATOM 64 CB ASP A 12 10.335 2.323 -1.293 1.00 0.00 C ATOM 65 CG ASP A 12 9.096 3.184 -1.514 1.00 0.00 C ATOM 66 OD1 ASP A 12 9.212 4.390 -1.397 1.00 0.00 O ATOM 67 OD2 ASP A 12 8.051 2.616 -1.786 1.00 0.00 O ATOM 0 H ASP A 12 9.839 2.243 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 12 11.641 3.722 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.070 1.268 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.725 2.487 -0.289 1.00 0.00 H new ATOM 72 N ASP A 13 13.837 2.569 -2.207 1.00 0.00 N ATOM 73 CA ASP A 13 15.138 1.943 -1.864 1.00 0.00 C ATOM 74 C ASP A 13 15.267 1.883 -0.344 1.00 0.00 C ATOM 75 O ASP A 13 15.957 1.043 0.204 1.00 0.00 O ATOM 76 CB ASP A 13 16.203 2.858 -2.475 1.00 0.00 C ATOM 77 CG ASP A 13 16.526 2.390 -3.897 1.00 0.00 C ATOM 78 OD1 ASP A 13 15.787 2.747 -4.800 1.00 0.00 O ATOM 79 OD2 ASP A 13 17.506 1.681 -4.057 1.00 0.00 O ATOM 0 H ASP A 13 13.902 3.496 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 13 15.238 0.926 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.846 3.888 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.105 2.843 -1.863 1.00 0.00 H new ATOM 84 N HIS A 14 14.578 2.767 0.335 1.00 0.00 N ATOM 85 CA HIS A 14 14.613 2.782 1.819 1.00 0.00 C ATOM 86 C HIS A 14 13.738 1.649 2.378 1.00 0.00 C ATOM 87 O HIS A 14 13.919 1.214 3.500 1.00 0.00 O ATOM 88 CB HIS A 14 14.048 4.153 2.207 1.00 0.00 C ATOM 89 CG HIS A 14 15.029 4.876 3.089 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.365 5.030 2.744 1.00 0.00 N ATOM 91 CD2 HIS A 14 14.885 5.491 4.308 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.963 5.712 3.738 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.106 6.018 4.716 1.00 0.00 N ATOM 0 H HIS A 14 13.988 3.484 -0.086 1.00 0.00 H new ATOM 0 HA HIS A 14 15.616 2.629 2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.848 4.741 1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.098 4.031 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.963 5.556 4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 14 18.009 5.980 3.744 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.304 6.528 5.577 1.00 0.00 H new ATOM 101 N LEU A 15 12.806 1.155 1.595 1.00 0.00 N ATOM 102 CA LEU A 15 11.938 0.039 2.065 1.00 0.00 C ATOM 103 C LEU A 15 12.705 -1.278 1.901 1.00 0.00 C ATOM 104 O LEU A 15 12.629 -2.157 2.735 1.00 0.00 O ATOM 105 CB LEU A 15 10.673 0.116 1.178 1.00 0.00 C ATOM 106 CG LEU A 15 10.449 -1.175 0.379 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.973 -2.286 1.319 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.380 -0.928 -0.691 1.00 0.00 C ATOM 0 H LEU A 15 12.613 1.482 0.648 1.00 0.00 H new ATOM 0 HA LEU A 15 11.658 0.103 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.802 0.310 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.764 0.957 0.490 1.00 0.00 H new ATOM 0 HG LEU A 15 11.384 -1.475 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.815 -3.202 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.727 -2.462 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.038 -1.987 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.218 -1.843 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.448 -0.629 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.713 -0.136 -1.362 1.00 0.00 H new ATOM 120 N LEU A 16 13.463 -1.400 0.838 1.00 0.00 N ATOM 121 CA LEU A 16 14.260 -2.640 0.616 1.00 0.00 C ATOM 122 C LEU A 16 15.310 -2.786 1.714 1.00 0.00 C ATOM 123 O LEU A 16 15.530 -3.861 2.236 1.00 0.00 O ATOM 124 CB LEU A 16 14.944 -2.457 -0.735 1.00 0.00 C ATOM 125 CG LEU A 16 14.038 -3.022 -1.815 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.041 -1.949 -2.230 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.875 -3.449 -3.021 1.00 0.00 C ATOM 0 H LEU A 16 13.562 -0.689 0.113 1.00 0.00 H new ATOM 0 HA LEU A 16 13.633 -3.532 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.141 -1.401 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.907 -2.967 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 16 13.504 -3.892 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.384 -2.343 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.445 -1.652 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.578 -1.082 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.221 -3.854 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.411 -2.586 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.591 -4.212 -2.715 1.00 0.00 H new ATOM 139 N GLU A 17 15.955 -1.698 2.065 1.00 0.00 N ATOM 140 CA GLU A 17 17.000 -1.746 3.138 1.00 0.00 C ATOM 141 C GLU A 17 16.416 -2.319 4.444 1.00 0.00 C ATOM 142 O GLU A 17 17.143 -2.804 5.290 1.00 0.00 O ATOM 143 CB GLU A 17 17.464 -0.287 3.310 1.00 0.00 C ATOM 144 CG GLU A 17 16.915 0.308 4.613 1.00 0.00 C ATOM 145 CD GLU A 17 17.099 1.830 4.613 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.214 2.278 4.389 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.124 2.523 4.844 1.00 0.00 O ATOM 0 H GLU A 17 15.802 -0.777 1.654 1.00 0.00 H new ATOM 0 HA GLU A 17 17.833 -2.399 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.553 -0.245 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.127 0.309 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.859 0.061 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.431 -0.129 5.468 1.00 0.00 H new ATOM 154 N LYS A 18 15.115 -2.277 4.606 1.00 0.00 N ATOM 155 CA LYS A 18 14.490 -2.830 5.845 1.00 0.00 C ATOM 156 C LYS A 18 13.799 -4.165 5.543 1.00 0.00 C ATOM 157 O LYS A 18 13.643 -4.998 6.416 1.00 0.00 O ATOM 158 CB LYS A 18 13.463 -1.781 6.281 1.00 0.00 C ATOM 159 CG LYS A 18 14.049 -0.925 7.408 1.00 0.00 C ATOM 160 CD LYS A 18 13.811 -1.617 8.755 1.00 0.00 C ATOM 161 CE LYS A 18 15.060 -2.411 9.155 1.00 0.00 C ATOM 162 NZ LYS A 18 14.611 -3.831 9.251 1.00 0.00 N ATOM 0 H LYS A 18 14.460 -1.883 3.931 1.00 0.00 H new ATOM 0 HA LYS A 18 15.228 -3.024 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.191 -1.150 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.550 -2.270 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.117 -0.776 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.586 0.062 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.579 -0.876 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.951 -2.283 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.852 -2.298 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.461 -2.060 10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.393 -4.419 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.806 -3.897 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.321 -4.168 8.311 1.00 0.00 H new ATOM 176 N VAL A 19 13.381 -4.376 4.316 1.00 0.00 N ATOM 177 CA VAL A 19 12.697 -5.656 3.961 1.00 0.00 C ATOM 178 C VAL A 19 13.709 -6.798 3.825 1.00 0.00 C ATOM 179 O VAL A 19 13.432 -7.918 4.203 1.00 0.00 O ATOM 180 CB VAL A 19 12.008 -5.383 2.623 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.953 -5.720 1.466 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.749 -6.244 2.534 1.00 0.00 C ATOM 0 H VAL A 19 13.485 -3.715 3.546 1.00 0.00 H new ATOM 0 HA VAL A 19 11.989 -5.963 4.731 1.00 0.00 H new ATOM 0 HB VAL A 19 11.741 -4.328 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.453 -5.522 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.850 -5.105 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.230 -6.773 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.248 -6.059 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.023 -7.297 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.077 -5.991 3.354 1.00 0.00 H new ATOM 192 N LEU A 20 14.879 -6.520 3.298 1.00 0.00 N ATOM 193 CA LEU A 20 15.903 -7.597 3.159 1.00 0.00 C ATOM 194 C LEU A 20 16.282 -8.070 4.555 1.00 0.00 C ATOM 195 O LEU A 20 16.623 -9.218 4.765 1.00 0.00 O ATOM 196 CB LEU A 20 17.098 -6.970 2.420 1.00 0.00 C ATOM 197 CG LEU A 20 17.772 -5.896 3.282 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.912 -6.522 4.089 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.339 -4.803 2.372 1.00 0.00 C ATOM 0 H LEU A 20 15.165 -5.600 2.962 1.00 0.00 H new ATOM 0 HA LEU A 20 15.544 -8.461 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.821 -7.745 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.760 -6.530 1.482 1.00 0.00 H new ATOM 0 HG LEU A 20 17.039 -5.467 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.389 -5.756 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.514 -7.305 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.647 -6.952 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.820 -4.036 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.071 -5.239 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.530 -4.354 1.795 1.00 0.00 H new ATOM 211 N GLU A 21 16.178 -7.188 5.520 1.00 0.00 N ATOM 212 CA GLU A 21 16.477 -7.575 6.918 1.00 0.00 C ATOM 213 C GLU A 21 15.354 -8.478 7.432 1.00 0.00 C ATOM 214 O GLU A 21 15.581 -9.389 8.206 1.00 0.00 O ATOM 215 CB GLU A 21 16.511 -6.264 7.704 1.00 0.00 C ATOM 216 CG GLU A 21 17.949 -5.954 8.129 1.00 0.00 C ATOM 217 CD GLU A 21 18.374 -4.600 7.554 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.981 -3.590 8.112 1.00 0.00 O ATOM 219 OE2 GLU A 21 19.087 -4.598 6.563 1.00 0.00 O ATOM 0 H GLU A 21 15.897 -6.216 5.391 1.00 0.00 H new ATOM 0 HA GLU A 21 17.417 -8.119 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.119 -5.452 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.870 -6.339 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.022 -5.938 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.620 -6.737 7.776 1.00 0.00 H new ATOM 226 N LEU A 22 14.140 -8.237 6.986 1.00 0.00 N ATOM 227 CA LEU A 22 12.994 -9.085 7.423 1.00 0.00 C ATOM 228 C LEU A 22 12.992 -10.390 6.626 1.00 0.00 C ATOM 229 O LEU A 22 12.547 -11.415 7.101 1.00 0.00 O ATOM 230 CB LEU A 22 11.740 -8.254 7.115 1.00 0.00 C ATOM 231 CG LEU A 22 11.661 -7.010 8.021 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.205 -6.774 8.428 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.509 -7.201 9.286 1.00 0.00 C ATOM 0 H LEU A 22 13.899 -7.487 6.338 1.00 0.00 H new ATOM 0 HA LEU A 22 13.045 -9.352 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.752 -7.946 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.850 -8.867 7.256 1.00 0.00 H new ATOM 0 HG LEU A 22 12.044 -6.153 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.144 -5.895 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.599 -6.615 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.833 -7.644 8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.438 -6.310 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.143 -8.064 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.549 -7.365 9.005 1.00 0.00 H new ATOM 245 N ASN A 23 13.515 -10.362 5.427 1.00 0.00 N ATOM 246 CA ASN A 23 13.579 -11.606 4.605 1.00 0.00 C ATOM 247 C ASN A 23 14.807 -12.433 5.018 1.00 0.00 C ATOM 248 O ASN A 23 14.950 -13.579 4.637 1.00 0.00 O ATOM 249 CB ASN A 23 13.714 -11.130 3.156 1.00 0.00 C ATOM 250 CG ASN A 23 12.329 -10.792 2.594 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.514 -11.669 2.386 1.00 0.00 O ATOM 252 ND2 ASN A 23 12.027 -9.548 2.336 1.00 0.00 N ATOM 0 H ASN A 23 13.901 -9.529 4.982 1.00 0.00 H new ATOM 0 HA ASN A 23 12.700 -12.237 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.360 -10.253 3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.184 -11.905 2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.108 -9.314 1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.710 -8.811 2.510 1.00 0.00 H new ATOM 259 N ALA A 24 15.690 -11.854 5.804 1.00 0.00 N ATOM 260 CA ALA A 24 16.899 -12.580 6.256 1.00 0.00 C ATOM 261 C ALA A 24 16.562 -13.455 7.462 1.00 0.00 C ATOM 262 O ALA A 24 17.030 -14.573 7.572 1.00 0.00 O ATOM 263 CB ALA A 24 17.889 -11.487 6.656 1.00 0.00 C ATOM 0 H ALA A 24 15.613 -10.897 6.149 1.00 0.00 H new ATOM 0 HA ALA A 24 17.302 -13.235 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.815 -11.945 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.099 -10.853 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.460 -10.883 7.455 1.00 0.00 H new ATOM 269 N LYS A 25 15.750 -12.958 8.370 1.00 0.00 N ATOM 270 CA LYS A 25 15.392 -13.775 9.563 1.00 0.00 C ATOM 271 C LYS A 25 13.969 -14.337 9.420 1.00 0.00 C ATOM 272 O LYS A 25 13.645 -15.364 9.985 1.00 0.00 O ATOM 273 CB LYS A 25 15.538 -12.826 10.765 1.00 0.00 C ATOM 274 CG LYS A 25 14.183 -12.248 11.187 1.00 0.00 C ATOM 275 CD LYS A 25 14.339 -11.540 12.536 1.00 0.00 C ATOM 276 CE LYS A 25 13.571 -12.310 13.617 1.00 0.00 C ATOM 277 NZ LYS A 25 14.539 -13.311 14.150 1.00 0.00 N ATOM 0 H LYS A 25 15.327 -12.031 8.332 1.00 0.00 H new ATOM 0 HA LYS A 25 16.036 -14.646 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.983 -13.363 11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.218 -12.014 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.822 -11.547 10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.442 -13.044 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.394 -11.474 12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.963 -10.519 12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.223 -11.641 14.404 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.690 -12.798 13.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.081 -13.874 14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.847 -13.939 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.365 -12.818 14.547 1.00 0.00 H new ATOM 291 N GLY A 26 13.128 -13.679 8.660 1.00 0.00 N ATOM 292 CA GLY A 26 11.734 -14.181 8.466 1.00 0.00 C ATOM 293 C GLY A 26 10.737 -13.292 9.216 1.00 0.00 C ATOM 294 O GLY A 26 9.660 -13.731 9.575 1.00 0.00 O ATOM 0 H GLY A 26 13.348 -12.815 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.490 -14.195 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.657 -15.207 8.825 1.00 0.00 H new ATOM 298 N GLU A 27 11.079 -12.048 9.451 1.00 0.00 N ATOM 299 CA GLU A 27 10.137 -11.139 10.176 1.00 0.00 C ATOM 300 C GLU A 27 9.051 -10.621 9.228 1.00 0.00 C ATOM 301 O GLU A 27 9.336 -10.123 8.156 1.00 0.00 O ATOM 302 CB GLU A 27 10.994 -9.976 10.676 1.00 0.00 C ATOM 303 CG GLU A 27 11.330 -10.187 12.152 1.00 0.00 C ATOM 304 CD GLU A 27 11.790 -8.864 12.770 1.00 0.00 C ATOM 305 OE1 GLU A 27 12.868 -8.409 12.420 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.057 -8.327 13.584 1.00 0.00 O ATOM 0 H GLU A 27 11.965 -11.625 9.174 1.00 0.00 H new ATOM 0 HA GLU A 27 9.631 -11.656 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.910 -9.908 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.460 -9.035 10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.456 -10.564 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.113 -10.939 12.253 1.00 0.00 H new ATOM 313 N LYS A 28 7.809 -10.724 9.627 1.00 0.00 N ATOM 314 CA LYS A 28 6.694 -10.224 8.768 1.00 0.00 C ATOM 315 C LYS A 28 6.119 -8.943 9.386 1.00 0.00 C ATOM 316 O LYS A 28 4.985 -8.906 9.830 1.00 0.00 O ATOM 317 CB LYS A 28 5.656 -11.350 8.758 1.00 0.00 C ATOM 318 CG LYS A 28 5.987 -12.341 7.638 1.00 0.00 C ATOM 319 CD LYS A 28 4.862 -13.372 7.516 1.00 0.00 C ATOM 320 CE LYS A 28 5.175 -14.584 8.400 1.00 0.00 C ATOM 321 NZ LYS A 28 5.950 -15.516 7.530 1.00 0.00 N ATOM 0 H LYS A 28 7.518 -11.135 10.514 1.00 0.00 H new ATOM 0 HA LYS A 28 7.013 -9.979 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.650 -11.862 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.658 -10.938 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.112 -11.810 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.932 -12.842 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.913 -12.927 7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.754 -13.685 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.753 -14.292 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.260 -15.053 8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.199 -16.369 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.373 -15.783 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.819 -15.046 7.206 1.00 0.00 H new ATOM 335 N ARG A 29 6.905 -7.896 9.423 1.00 0.00 N ATOM 336 CA ARG A 29 6.433 -6.611 10.018 1.00 0.00 C ATOM 337 C ARG A 29 6.114 -5.603 8.907 1.00 0.00 C ATOM 338 O ARG A 29 5.739 -5.978 7.810 1.00 0.00 O ATOM 339 CB ARG A 29 7.606 -6.132 10.883 1.00 0.00 C ATOM 340 CG ARG A 29 7.079 -5.591 12.215 1.00 0.00 C ATOM 341 CD ARG A 29 6.825 -6.757 13.179 1.00 0.00 C ATOM 342 NE ARG A 29 8.166 -7.113 13.723 1.00 0.00 N ATOM 343 CZ ARG A 29 8.327 -7.281 15.010 1.00 0.00 C ATOM 344 NH1 ARG A 29 8.322 -8.486 15.517 1.00 0.00 N ATOM 345 NH2 ARG A 29 8.494 -6.243 15.788 1.00 0.00 N ATOM 0 H ARG A 29 7.859 -7.878 9.064 1.00 0.00 H new ATOM 0 HA ARG A 29 5.520 -6.725 10.603 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.298 -6.955 11.062 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.163 -5.355 10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.800 -4.898 12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.157 -5.032 12.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.141 -6.467 13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.372 -7.603 12.663 1.00 0.00 H new ATOM 0 HE ARG A 29 8.959 -7.226 13.091 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.193 -9.295 14.909 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.448 -8.618 16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.499 -5.303 15.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.620 -6.373 16.792 1.00 0.00 H new ATOM 359 N LEU A 30 6.252 -4.330 9.181 1.00 0.00 N ATOM 360 CA LEU A 30 5.950 -3.305 8.142 1.00 0.00 C ATOM 361 C LEU A 30 7.191 -2.440 7.859 1.00 0.00 C ATOM 362 O LEU A 30 7.977 -2.152 8.746 1.00 0.00 O ATOM 363 CB LEU A 30 4.775 -2.491 8.732 1.00 0.00 C ATOM 364 CG LEU A 30 5.235 -1.134 9.289 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.353 -0.023 8.713 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.107 -1.143 10.815 1.00 0.00 C ATOM 0 H LEU A 30 6.561 -3.959 10.079 1.00 0.00 H new ATOM 0 HA LEU A 30 5.681 -3.737 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.023 -2.329 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.299 -3.066 9.526 1.00 0.00 H new ATOM 0 HG LEU A 30 6.274 -0.958 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.678 0.940 9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.438 -0.018 7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.315 -0.199 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.433 -0.182 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.067 -1.317 11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.730 -1.936 11.228 1.00 0.00 H new ATOM 378 N ILE A 31 7.367 -2.027 6.627 1.00 0.00 N ATOM 379 CA ILE A 31 8.546 -1.177 6.268 1.00 0.00 C ATOM 380 C ILE A 31 8.056 0.162 5.699 1.00 0.00 C ATOM 381 O ILE A 31 7.461 0.215 4.641 1.00 0.00 O ATOM 382 CB ILE A 31 9.319 -1.977 5.210 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.883 -3.254 5.846 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.474 -1.129 4.665 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.279 -4.480 5.157 1.00 0.00 C ATOM 0 H ILE A 31 6.742 -2.243 5.851 1.00 0.00 H new ATOM 0 HA ILE A 31 9.178 -0.950 7.127 1.00 0.00 H new ATOM 0 HB ILE A 31 8.646 -2.241 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.969 -3.270 5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.654 -3.273 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.021 -1.699 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.076 -0.221 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.147 -0.864 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.681 -5.387 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.195 -4.466 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.530 -4.462 4.097 1.00 0.00 H new ATOM 397 N LYS A 32 8.294 1.242 6.401 1.00 0.00 N ATOM 398 CA LYS A 32 7.829 2.578 5.908 1.00 0.00 C ATOM 399 C LYS A 32 8.927 3.270 5.093 1.00 0.00 C ATOM 400 O LYS A 32 10.104 3.111 5.361 1.00 0.00 O ATOM 401 CB LYS A 32 7.521 3.390 7.171 1.00 0.00 C ATOM 402 CG LYS A 32 6.378 2.729 7.950 1.00 0.00 C ATOM 403 CD LYS A 32 6.931 2.090 9.227 1.00 0.00 C ATOM 404 CE LYS A 32 6.164 2.620 10.443 1.00 0.00 C ATOM 405 NZ LYS A 32 6.897 2.088 11.627 1.00 0.00 N ATOM 0 H LYS A 32 8.789 1.258 7.293 1.00 0.00 H new ATOM 0 HA LYS A 32 6.961 2.484 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.410 3.455 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.247 4.410 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.619 3.470 8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.893 1.973 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.839 1.005 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.993 2.316 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.141 3.710 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.129 2.280 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.285 2.141 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.163 1.098 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.755 2.654 11.787 1.00 0.00 H new ATOM 419 N THR A 33 8.548 4.046 4.104 1.00 0.00 N ATOM 420 CA THR A 33 9.570 4.762 3.275 1.00 0.00 C ATOM 421 C THR A 33 9.108 6.194 2.981 1.00 0.00 C ATOM 422 O THR A 33 7.962 6.542 3.195 1.00 0.00 O ATOM 423 CB THR A 33 9.688 3.959 1.975 1.00 0.00 C ATOM 424 OG1 THR A 33 9.847 2.579 2.278 1.00 0.00 O ATOM 425 CG2 THR A 33 10.902 4.452 1.179 1.00 0.00 C ATOM 0 H THR A 33 7.578 4.214 3.836 1.00 0.00 H new ATOM 0 HA THR A 33 10.528 4.834 3.789 1.00 0.00 H new ATOM 0 HB THR A 33 8.784 4.096 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.733 2.430 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.987 3.881 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.778 5.509 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.806 4.317 1.773 1.00 0.00 H new ATOM 433 N TRP A 34 10.003 7.025 2.500 1.00 0.00 N ATOM 434 CA TRP A 34 9.637 8.442 2.187 1.00 0.00 C ATOM 435 C TRP A 34 10.295 8.872 0.867 1.00 0.00 C ATOM 436 O TRP A 34 10.776 9.983 0.738 1.00 0.00 O ATOM 437 CB TRP A 34 10.195 9.271 3.351 1.00 0.00 C ATOM 438 CG TRP A 34 9.660 8.760 4.652 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.581 9.252 5.294 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.163 7.667 5.474 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.391 8.537 6.464 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.341 7.547 6.618 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.242 6.780 5.336 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.583 6.580 7.593 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.489 5.803 6.315 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.661 5.704 7.442 1.00 0.00 C ATOM 0 H TRP A 34 10.975 6.781 2.310 1.00 0.00 H new ATOM 0 HA TRP A 34 8.561 8.573 2.074 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.284 9.222 3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.923 10.319 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.965 10.070 4.951 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.641 8.719 7.131 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.886 6.849 4.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.942 6.509 8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.321 5.125 6.199 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.856 4.952 8.192 1.00 0.00 H new ATOM 457 N SER A 35 10.327 7.997 -0.110 1.00 0.00 N ATOM 458 CA SER A 35 10.966 8.349 -1.417 1.00 0.00 C ATOM 459 C SER A 35 10.020 9.216 -2.268 1.00 0.00 C ATOM 460 O SER A 35 9.321 10.069 -1.752 1.00 0.00 O ATOM 461 CB SER A 35 11.246 7.002 -2.086 1.00 0.00 C ATOM 462 OG SER A 35 12.091 6.227 -1.245 1.00 0.00 O ATOM 0 H SER A 35 9.938 7.055 -0.058 1.00 0.00 H new ATOM 0 HA SER A 35 11.877 8.935 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.311 6.472 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.720 7.156 -3.055 1.00 0.00 H new ATOM 0 HG SER A 35 13.015 6.283 -1.568 1.00 0.00 H new ATOM 468 N ARG A 36 9.997 9.017 -3.567 1.00 0.00 N ATOM 469 CA ARG A 36 9.102 9.839 -4.443 1.00 0.00 C ATOM 470 C ARG A 36 8.166 8.931 -5.249 1.00 0.00 C ATOM 471 O ARG A 36 6.959 8.999 -5.112 1.00 0.00 O ATOM 472 CB ARG A 36 10.047 10.610 -5.371 1.00 0.00 C ATOM 473 CG ARG A 36 10.040 12.093 -4.993 1.00 0.00 C ATOM 474 CD ARG A 36 11.475 12.627 -4.984 1.00 0.00 C ATOM 475 NE ARG A 36 11.340 14.092 -4.744 1.00 0.00 N ATOM 476 CZ ARG A 36 11.567 14.939 -5.713 1.00 0.00 C ATOM 477 NH1 ARG A 36 12.752 15.473 -5.851 1.00 0.00 N ATOM 478 NH2 ARG A 36 10.607 15.249 -6.546 1.00 0.00 N ATOM 0 H ARG A 36 10.559 8.321 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 36 8.466 10.511 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.058 10.209 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.735 10.487 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.436 12.657 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.585 12.226 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.068 12.152 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.977 12.427 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 36 11.070 14.434 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.500 15.229 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.929 16.134 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.683 14.830 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.782 15.910 -7.303 1.00 0.00 H new ATOM 492 N ARG A 37 8.713 8.075 -6.081 1.00 0.00 N ATOM 493 CA ARG A 37 7.854 7.152 -6.889 1.00 0.00 C ATOM 494 C ARG A 37 7.709 5.804 -6.162 1.00 0.00 C ATOM 495 O ARG A 37 7.730 4.750 -6.770 1.00 0.00 O ATOM 496 CB ARG A 37 8.596 6.988 -8.219 1.00 0.00 C ATOM 497 CG ARG A 37 7.638 6.439 -9.280 1.00 0.00 C ATOM 498 CD ARG A 37 8.096 5.042 -9.702 1.00 0.00 C ATOM 499 NE ARG A 37 6.846 4.246 -9.858 1.00 0.00 N ATOM 500 CZ ARG A 37 6.792 3.284 -10.741 1.00 0.00 C ATOM 501 NH1 ARG A 37 6.131 3.458 -11.856 1.00 0.00 N ATOM 502 NH2 ARG A 37 7.398 2.148 -10.507 1.00 0.00 N ATOM 0 H ARG A 37 9.717 7.976 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 37 6.845 7.536 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.000 7.947 -8.542 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.442 6.312 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.624 6.397 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.615 7.103 -10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.658 5.078 -10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.752 4.600 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 37 6.034 4.452 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.658 4.344 -12.036 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.088 2.708 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.912 2.014 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.356 1.397 -11.195 1.00 0.00 H new ATOM 516 N SER A 38 7.568 5.853 -4.857 1.00 0.00 N ATOM 517 CA SER A 38 7.423 4.621 -4.016 1.00 0.00 C ATOM 518 C SER A 38 6.620 3.518 -4.730 1.00 0.00 C ATOM 519 O SER A 38 5.555 3.759 -5.269 1.00 0.00 O ATOM 520 CB SER A 38 6.677 5.120 -2.777 1.00 0.00 C ATOM 521 OG SER A 38 7.409 6.184 -2.179 1.00 0.00 O ATOM 0 H SER A 38 7.547 6.723 -4.325 1.00 0.00 H new ATOM 0 HA SER A 38 8.387 4.165 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.679 5.461 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.550 4.306 -2.064 1.00 0.00 H new ATOM 0 HG SER A 38 8.184 5.820 -1.702 1.00 0.00 H new ATOM 527 N THR A 39 7.134 2.308 -4.729 1.00 0.00 N ATOM 528 CA THR A 39 6.428 1.166 -5.399 1.00 0.00 C ATOM 529 C THR A 39 6.754 -0.159 -4.686 1.00 0.00 C ATOM 530 O THR A 39 7.709 -0.253 -3.938 1.00 0.00 O ATOM 531 CB THR A 39 6.968 1.149 -6.836 1.00 0.00 C ATOM 532 OG1 THR A 39 6.516 2.305 -7.527 1.00 0.00 O ATOM 533 CG2 THR A 39 6.470 -0.104 -7.565 1.00 0.00 C ATOM 0 H THR A 39 8.020 2.061 -4.289 1.00 0.00 H new ATOM 0 HA THR A 39 5.345 1.282 -5.371 1.00 0.00 H new ATOM 0 HB THR A 39 8.058 1.141 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.088 3.067 -7.299 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.857 -0.110 -8.584 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.818 -0.993 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.380 -0.101 -7.591 1.00 0.00 H new ATOM 541 N ILE A 40 5.956 -1.177 -4.914 1.00 0.00 N ATOM 542 CA ILE A 40 6.203 -2.506 -4.247 1.00 0.00 C ATOM 543 C ILE A 40 7.298 -3.309 -4.970 1.00 0.00 C ATOM 544 O ILE A 40 7.666 -3.019 -6.093 1.00 0.00 O ATOM 545 CB ILE A 40 4.881 -3.273 -4.349 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.697 -2.351 -4.058 1.00 0.00 C ATOM 547 CG2 ILE A 40 4.880 -4.426 -3.349 1.00 0.00 C ATOM 548 CD1 ILE A 40 2.873 -2.206 -5.335 1.00 0.00 C ATOM 0 H ILE A 40 5.145 -1.149 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 40 6.534 -2.358 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 40 4.783 -3.660 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.084 -2.763 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.049 -1.376 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.939 -4.971 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.708 -5.100 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.993 -4.032 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.023 -1.551 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.494 -1.778 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.513 -3.186 -5.649 1.00 0.00 H new ATOM 560 N VAL A 41 7.796 -4.343 -4.324 1.00 0.00 N ATOM 561 CA VAL A 41 8.848 -5.218 -4.945 1.00 0.00 C ATOM 562 C VAL A 41 8.563 -6.681 -4.590 1.00 0.00 C ATOM 563 O VAL A 41 7.599 -6.977 -3.908 1.00 0.00 O ATOM 564 CB VAL A 41 10.208 -4.775 -4.367 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.125 -4.336 -5.513 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.040 -3.594 -3.401 1.00 0.00 C ATOM 0 H VAL A 41 7.515 -4.620 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 41 8.853 -5.127 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 41 10.638 -5.618 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.087 -4.022 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.274 -5.170 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.667 -3.504 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.015 -3.303 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.596 -2.751 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.390 -3.888 -2.577 1.00 0.00 H new ATOM 576 N PRO A 42 9.406 -7.554 -5.079 1.00 0.00 N ATOM 577 CA PRO A 42 9.230 -9.004 -4.825 1.00 0.00 C ATOM 578 C PRO A 42 9.534 -9.360 -3.365 1.00 0.00 C ATOM 579 O PRO A 42 8.925 -10.246 -2.801 1.00 0.00 O ATOM 580 CB PRO A 42 10.235 -9.644 -5.766 1.00 0.00 C ATOM 581 CG PRO A 42 11.280 -8.609 -5.998 1.00 0.00 C ATOM 582 CD PRO A 42 10.592 -7.281 -5.906 1.00 0.00 C ATOM 0 HA PRO A 42 8.208 -9.343 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.665 -10.544 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.762 -9.941 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.074 -8.687 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.744 -8.739 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.234 -6.529 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.315 -6.906 -6.891 1.00 0.00 H new ATOM 590 N GLU A 43 10.459 -8.669 -2.750 1.00 0.00 N ATOM 591 CA GLU A 43 10.797 -8.954 -1.320 1.00 0.00 C ATOM 592 C GLU A 43 9.686 -8.451 -0.380 1.00 0.00 C ATOM 593 O GLU A 43 9.785 -8.577 0.824 1.00 0.00 O ATOM 594 CB GLU A 43 12.094 -8.183 -1.053 1.00 0.00 C ATOM 595 CG GLU A 43 13.295 -9.124 -1.183 1.00 0.00 C ATOM 596 CD GLU A 43 14.400 -8.688 -0.217 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.907 -7.588 -0.377 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.725 -9.463 0.666 1.00 0.00 O ATOM 0 H GLU A 43 10.998 -7.916 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 43 10.903 -10.024 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.189 -7.358 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.069 -7.747 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.992 -10.148 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.669 -9.113 -2.207 1.00 0.00 H new ATOM 605 N MET A 44 8.643 -7.866 -0.921 1.00 0.00 N ATOM 606 CA MET A 44 7.538 -7.329 -0.067 1.00 0.00 C ATOM 607 C MET A 44 6.340 -8.283 -0.039 1.00 0.00 C ATOM 608 O MET A 44 5.324 -7.997 0.562 1.00 0.00 O ATOM 609 CB MET A 44 7.176 -6.012 -0.735 1.00 0.00 C ATOM 610 CG MET A 44 8.298 -5.016 -0.465 1.00 0.00 C ATOM 611 SD MET A 44 9.793 -5.516 -1.358 1.00 0.00 S ATOM 612 CE MET A 44 10.927 -4.331 -0.601 1.00 0.00 C ATOM 0 H MET A 44 8.510 -7.737 -1.924 1.00 0.00 H new ATOM 0 HA MET A 44 7.834 -7.208 0.975 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.044 -6.154 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.231 -5.635 -0.344 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.993 -4.018 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.502 -4.966 0.605 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.954 -4.600 -0.850 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.713 -3.331 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.800 -4.346 0.481 1.00 0.00 H new ATOM 622 N VAL A 45 6.467 -9.411 -0.684 1.00 0.00 N ATOM 623 CA VAL A 45 5.360 -10.429 -0.731 1.00 0.00 C ATOM 624 C VAL A 45 4.902 -10.899 0.675 1.00 0.00 C ATOM 625 O VAL A 45 3.992 -11.700 0.789 1.00 0.00 O ATOM 626 CB VAL A 45 5.958 -11.599 -1.538 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.298 -12.033 -0.927 1.00 0.00 C ATOM 628 CG2 VAL A 45 4.995 -12.792 -1.534 1.00 0.00 C ATOM 0 H VAL A 45 7.308 -9.682 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 45 4.460 -10.010 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 45 6.117 -11.264 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.711 -12.860 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.994 -11.195 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.141 -12.353 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.429 -13.612 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.823 -13.118 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.047 -12.496 -1.984 1.00 0.00 H new ATOM 638 N GLY A 46 5.492 -10.408 1.739 1.00 0.00 N ATOM 639 CA GLY A 46 5.052 -10.831 3.102 1.00 0.00 C ATOM 640 C GLY A 46 5.278 -9.686 4.098 1.00 0.00 C ATOM 641 O GLY A 46 5.615 -9.918 5.244 1.00 0.00 O ATOM 0 H GLY A 46 6.257 -9.734 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.998 -11.108 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.608 -11.714 3.416 1.00 0.00 H new ATOM 645 N HIS A 47 5.103 -8.451 3.673 1.00 0.00 N ATOM 646 CA HIS A 47 5.322 -7.299 4.608 1.00 0.00 C ATOM 647 C HIS A 47 4.326 -6.168 4.331 1.00 0.00 C ATOM 648 O HIS A 47 3.843 -6.008 3.227 1.00 0.00 O ATOM 649 CB HIS A 47 6.750 -6.798 4.339 1.00 0.00 C ATOM 650 CG HIS A 47 7.727 -7.944 4.333 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.147 -8.775 3.327 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.408 -8.349 5.470 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 9.076 -9.683 3.826 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.197 -9.383 5.121 1.00 0.00 N flip ATOM 0 H HIS A 47 4.820 -8.195 2.727 1.00 0.00 H new ATOM 0 HA HIS A 47 5.181 -7.612 5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.784 -6.280 3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.036 -6.074 5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.322 -7.915 6.455 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.589 -10.463 3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.812 -9.877 5.768 1.00 0.00 H new ATOM 662 N THR A 48 4.055 -5.362 5.329 1.00 0.00 N ATOM 663 CA THR A 48 3.131 -4.207 5.157 1.00 0.00 C ATOM 664 C THR A 48 3.999 -2.964 4.971 1.00 0.00 C ATOM 665 O THR A 48 4.310 -2.258 5.909 1.00 0.00 O ATOM 666 CB THR A 48 2.304 -4.117 6.457 1.00 0.00 C ATOM 667 OG1 THR A 48 2.474 -5.297 7.236 1.00 0.00 O ATOM 668 CG2 THR A 48 0.823 -3.950 6.116 1.00 0.00 C ATOM 0 H THR A 48 4.443 -5.461 6.267 1.00 0.00 H new ATOM 0 HA THR A 48 2.463 -4.306 4.301 1.00 0.00 H new ATOM 0 HB THR A 48 2.651 -3.257 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.133 -6.069 6.739 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.243 -3.887 7.036 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.684 -3.038 5.536 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.485 -4.806 5.532 1.00 0.00 H new ATOM 676 N ILE A 49 4.437 -2.722 3.770 1.00 0.00 N ATOM 677 CA ILE A 49 5.338 -1.559 3.529 1.00 0.00 C ATOM 678 C ILE A 49 4.539 -0.287 3.285 1.00 0.00 C ATOM 679 O ILE A 49 3.725 -0.217 2.383 1.00 0.00 O ATOM 680 CB ILE A 49 6.161 -1.954 2.301 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.032 -3.162 2.665 1.00 0.00 C ATOM 682 CG2 ILE A 49 7.056 -0.787 1.870 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.535 -4.396 1.919 1.00 0.00 C ATOM 0 H ILE A 49 4.212 -3.277 2.944 1.00 0.00 H new ATOM 0 HA ILE A 49 5.972 -1.342 4.388 1.00 0.00 H new ATOM 0 HB ILE A 49 5.494 -2.206 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.072 -2.964 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.998 -3.337 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.638 -1.078 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.436 0.075 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.732 -0.527 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.156 -5.253 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.501 -4.598 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.592 -4.220 0.845 1.00 0.00 H new ATOM 695 N ALA A 50 4.773 0.726 4.085 1.00 0.00 N ATOM 696 CA ALA A 50 4.031 1.998 3.897 1.00 0.00 C ATOM 697 C ALA A 50 4.646 2.787 2.749 1.00 0.00 C ATOM 698 O ALA A 50 5.514 3.626 2.933 1.00 0.00 O ATOM 699 CB ALA A 50 4.124 2.755 5.219 1.00 0.00 C ATOM 0 H ALA A 50 5.443 0.721 4.854 1.00 0.00 H new ATOM 0 HA ALA A 50 2.986 1.828 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.592 3.702 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.676 2.157 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.171 2.947 5.456 1.00 0.00 H new ATOM 705 N VAL A 51 4.188 2.501 1.561 1.00 0.00 N ATOM 706 CA VAL A 51 4.706 3.204 0.349 1.00 0.00 C ATOM 707 C VAL A 51 4.395 4.702 0.447 1.00 0.00 C ATOM 708 O VAL A 51 3.248 5.101 0.550 1.00 0.00 O ATOM 709 CB VAL A 51 3.971 2.559 -0.843 1.00 0.00 C ATOM 710 CG1 VAL A 51 2.452 2.614 -0.631 1.00 0.00 C ATOM 711 CG2 VAL A 51 4.324 3.302 -2.135 1.00 0.00 C ATOM 0 H VAL A 51 3.469 1.802 1.375 1.00 0.00 H new ATOM 0 HA VAL A 51 5.787 3.111 0.241 1.00 0.00 H new ATOM 0 HB VAL A 51 4.284 1.518 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.949 2.154 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.192 2.074 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.135 3.653 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.802 2.842 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.022 4.346 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.400 3.248 -2.304 1.00 0.00 H new ATOM 721 N TYR A 52 5.406 5.536 0.425 1.00 0.00 N ATOM 722 CA TYR A 52 5.155 7.004 0.520 1.00 0.00 C ATOM 723 C TYR A 52 4.429 7.485 -0.740 1.00 0.00 C ATOM 724 O TYR A 52 4.995 7.543 -1.815 1.00 0.00 O ATOM 725 CB TYR A 52 6.538 7.660 0.646 1.00 0.00 C ATOM 726 CG TYR A 52 6.377 9.104 1.065 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.672 9.423 2.233 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.938 10.124 0.288 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.530 10.759 2.623 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.794 11.461 0.677 1.00 0.00 C ATOM 731 CZ TYR A 52 6.090 11.778 1.845 1.00 0.00 C ATOM 732 OH TYR A 52 5.951 13.096 2.232 1.00 0.00 O ATOM 0 H TYR A 52 6.386 5.265 0.346 1.00 0.00 H new ATOM 0 HA TYR A 52 4.525 7.261 1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.141 7.123 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.067 7.603 -0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.238 8.637 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.482 9.879 -0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.988 11.004 3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.226 12.248 0.076 1.00 0.00 H new ATOM 0 HH TYR A 52 5.453 13.588 1.546 1.00 0.00 H new ATOM 742 N ASN A 53 3.173 7.832 -0.606 1.00 0.00 N ATOM 743 CA ASN A 53 2.383 8.315 -1.784 1.00 0.00 C ATOM 744 C ASN A 53 2.731 9.785 -2.106 1.00 0.00 C ATOM 745 O ASN A 53 2.064 10.430 -2.894 1.00 0.00 O ATOM 746 CB ASN A 53 0.920 8.175 -1.329 1.00 0.00 C ATOM 747 CG ASN A 53 -0.026 8.827 -2.342 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.330 8.249 -3.367 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.509 10.016 -2.093 1.00 0.00 N ATOM 0 H ASN A 53 2.657 7.802 0.273 1.00 0.00 H new ATOM 0 HA ASN A 53 2.590 7.753 -2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.669 7.121 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.792 8.641 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.142 10.459 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.253 10.500 -1.233 1.00 0.00 H new ATOM 756 N GLY A 54 3.762 10.321 -1.500 1.00 0.00 N ATOM 757 CA GLY A 54 4.133 11.741 -1.756 1.00 0.00 C ATOM 758 C GLY A 54 3.817 12.562 -0.503 1.00 0.00 C ATOM 759 O GLY A 54 4.429 13.581 -0.247 1.00 0.00 O ATOM 0 H GLY A 54 4.363 9.831 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.192 11.817 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.580 12.128 -2.612 1.00 0.00 H new ATOM 763 N LYS A 55 2.862 12.115 0.282 1.00 0.00 N ATOM 764 CA LYS A 55 2.492 12.846 1.525 1.00 0.00 C ATOM 765 C LYS A 55 2.216 11.858 2.665 1.00 0.00 C ATOM 766 O LYS A 55 2.369 12.191 3.826 1.00 0.00 O ATOM 767 CB LYS A 55 1.213 13.627 1.188 1.00 0.00 C ATOM 768 CG LYS A 55 0.318 12.824 0.231 1.00 0.00 C ATOM 769 CD LYS A 55 -1.150 13.166 0.493 1.00 0.00 C ATOM 770 CE LYS A 55 -1.732 12.179 1.510 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.177 12.531 1.613 1.00 0.00 N ATOM 0 H LYS A 55 2.322 11.267 0.107 1.00 0.00 H new ATOM 0 HA LYS A 55 3.296 13.505 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.666 13.849 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.474 14.582 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.576 13.053 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.484 11.756 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.235 14.185 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.716 13.122 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.600 11.149 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.235 12.270 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.641 11.896 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.272 13.515 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.627 12.429 0.681 1.00 0.00 H new ATOM 785 N GLN A 56 1.780 10.659 2.351 1.00 0.00 N ATOM 786 CA GLN A 56 1.461 9.678 3.422 1.00 0.00 C ATOM 787 C GLN A 56 2.103 8.308 3.199 1.00 0.00 C ATOM 788 O GLN A 56 2.361 7.891 2.087 1.00 0.00 O ATOM 789 CB GLN A 56 -0.055 9.551 3.360 1.00 0.00 C ATOM 790 CG GLN A 56 -0.659 10.508 4.373 1.00 0.00 C ATOM 791 CD GLN A 56 -0.268 10.077 5.801 1.00 0.00 C ATOM 792 OE1 GLN A 56 0.160 8.852 6.030 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -0.351 10.864 6.722 1.00 0.00 N flip ATOM 0 H GLN A 56 1.634 10.324 1.399 1.00 0.00 H new ATOM 0 HA GLN A 56 1.844 10.017 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.414 9.784 2.358 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.359 8.527 3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.309 11.522 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.744 10.521 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.681 11.814 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.090 10.575 7.665 1.00 0.00 H new ATOM 802 N HIS A 57 2.323 7.605 4.279 1.00 0.00 N ATOM 803 CA HIS A 57 2.908 6.244 4.224 1.00 0.00 C ATOM 804 C HIS A 57 1.762 5.229 4.260 1.00 0.00 C ATOM 805 O HIS A 57 1.055 5.130 5.245 1.00 0.00 O ATOM 806 CB HIS A 57 3.756 6.127 5.501 1.00 0.00 C ATOM 807 CG HIS A 57 4.439 7.436 5.810 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.025 8.252 6.851 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.482 8.092 5.211 1.00 0.00 C ATOM 810 CE1 HIS A 57 4.807 9.345 6.845 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.712 9.299 5.865 1.00 0.00 N ATOM 0 H HIS A 57 2.113 7.933 5.222 1.00 0.00 H new ATOM 0 HA HIS A 57 3.502 6.064 3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.122 5.835 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.502 5.342 5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.040 7.728 4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.714 10.160 7.547 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.420 9.998 5.643 1.00 0.00 H new ATOM 819 N VAL A 58 1.558 4.490 3.203 1.00 0.00 N ATOM 820 CA VAL A 58 0.441 3.494 3.196 1.00 0.00 C ATOM 821 C VAL A 58 1.010 2.084 3.397 1.00 0.00 C ATOM 822 O VAL A 58 1.434 1.456 2.446 1.00 0.00 O ATOM 823 CB VAL A 58 -0.218 3.631 1.816 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.496 2.788 1.772 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.576 5.100 1.554 1.00 0.00 C ATOM 0 H VAL A 58 2.111 4.530 2.347 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.280 3.666 3.995 1.00 0.00 H new ATOM 0 HB VAL A 58 0.479 3.284 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.963 2.886 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.248 1.742 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.187 3.135 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.043 5.191 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.269 5.448 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.330 5.706 1.582 1.00 0.00 H new ATOM 835 N PRO A 59 1.018 1.636 4.642 1.00 0.00 N ATOM 836 CA PRO A 59 1.563 0.289 4.977 1.00 0.00 C ATOM 837 C PRO A 59 0.685 -0.785 4.354 1.00 0.00 C ATOM 838 O PRO A 59 -0.275 -1.254 4.937 1.00 0.00 O ATOM 839 CB PRO A 59 1.520 0.248 6.504 1.00 0.00 C ATOM 840 CG PRO A 59 0.464 1.234 6.876 1.00 0.00 C ATOM 841 CD PRO A 59 0.518 2.323 5.837 1.00 0.00 C ATOM 0 HA PRO A 59 2.570 0.112 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.276 -0.750 6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.484 0.518 6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.519 0.763 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.643 1.638 7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.465 2.762 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.181 3.134 6.140 1.00 0.00 H new ATOM 849 N VAL A 60 1.012 -1.150 3.152 1.00 0.00 N ATOM 850 CA VAL A 60 0.212 -2.179 2.431 1.00 0.00 C ATOM 851 C VAL A 60 0.870 -3.549 2.537 1.00 0.00 C ATOM 852 O VAL A 60 1.986 -3.741 2.089 1.00 0.00 O ATOM 853 CB VAL A 60 0.190 -1.727 0.966 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.575 -2.754 0.133 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.495 -0.362 0.855 1.00 0.00 C ATOM 0 H VAL A 60 1.806 -0.778 2.630 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.789 -2.270 2.852 1.00 0.00 H new ATOM 0 HB VAL A 60 1.212 -1.644 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.593 -2.436 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.082 -3.723 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.596 -2.836 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.508 -0.045 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.518 -0.437 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.053 0.369 1.449 1.00 0.00 H new ATOM 865 N TYR A 61 0.182 -4.515 3.092 1.00 0.00 N ATOM 866 CA TYR A 61 0.773 -5.874 3.169 1.00 0.00 C ATOM 867 C TYR A 61 0.739 -6.481 1.772 1.00 0.00 C ATOM 868 O TYR A 61 -0.302 -6.864 1.272 1.00 0.00 O ATOM 869 CB TYR A 61 -0.089 -6.689 4.131 1.00 0.00 C ATOM 870 CG TYR A 61 0.704 -7.900 4.563 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.114 -8.846 3.611 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.042 -8.072 5.908 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.856 -9.958 4.004 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.788 -9.186 6.302 1.00 0.00 C ATOM 875 CZ TYR A 61 2.195 -10.132 5.351 1.00 0.00 C ATOM 876 OH TYR A 61 2.931 -11.233 5.742 1.00 0.00 O ATOM 0 H TYR A 61 -0.752 -4.418 3.489 1.00 0.00 H new ATOM 0 HA TYR A 61 1.804 -5.857 3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.366 -6.087 4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.016 -6.995 3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.854 -8.712 2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.727 -7.345 6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.169 -10.685 3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.051 -9.318 7.341 1.00 0.00 H new ATOM 0 HH TYR A 61 3.080 -11.200 6.710 1.00 0.00 H new ATOM 886 N ILE A 62 1.866 -6.538 1.129 1.00 0.00 N ATOM 887 CA ILE A 62 1.909 -7.082 -0.252 1.00 0.00 C ATOM 888 C ILE A 62 2.042 -8.598 -0.239 1.00 0.00 C ATOM 889 O ILE A 62 2.849 -9.155 0.474 1.00 0.00 O ATOM 890 CB ILE A 62 3.148 -6.449 -0.887 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.018 -4.922 -0.845 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.286 -6.928 -2.339 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.046 -4.352 0.136 1.00 0.00 C ATOM 0 H ILE A 62 2.764 -6.230 1.502 1.00 0.00 H new ATOM 0 HA ILE A 62 0.996 -6.855 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 62 4.037 -6.747 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.177 -4.505 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.011 -4.640 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.170 -6.475 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.386 -8.013 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.401 -6.636 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.956 -3.266 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.865 -4.760 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.050 -4.623 -0.191 1.00 0.00 H new ATOM 905 N THR A 63 1.272 -9.257 -1.055 1.00 0.00 N ATOM 906 CA THR A 63 1.362 -10.738 -1.149 1.00 0.00 C ATOM 907 C THR A 63 2.233 -11.078 -2.364 1.00 0.00 C ATOM 908 O THR A 63 3.005 -10.257 -2.824 1.00 0.00 O ATOM 909 CB THR A 63 -0.080 -11.232 -1.345 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.576 -10.767 -2.594 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.968 -10.709 -0.216 1.00 0.00 C ATOM 0 H THR A 63 0.577 -8.829 -1.667 1.00 0.00 H new ATOM 0 HA THR A 63 1.805 -11.204 -0.268 1.00 0.00 H new ATOM 0 HB THR A 63 -0.089 -12.322 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.855 -11.531 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.988 -11.063 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.591 -11.071 0.741 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.958 -9.619 -0.221 1.00 0.00 H new ATOM 919 N GLU A 64 2.121 -12.261 -2.894 1.00 0.00 N ATOM 920 CA GLU A 64 2.956 -12.614 -4.085 1.00 0.00 C ATOM 921 C GLU A 64 2.262 -12.213 -5.397 1.00 0.00 C ATOM 922 O GLU A 64 2.697 -12.605 -6.465 1.00 0.00 O ATOM 923 CB GLU A 64 3.124 -14.139 -4.040 1.00 0.00 C ATOM 924 CG GLU A 64 1.752 -14.826 -3.968 1.00 0.00 C ATOM 925 CD GLU A 64 1.568 -15.732 -5.189 1.00 0.00 C ATOM 926 OE1 GLU A 64 1.947 -16.888 -5.107 1.00 0.00 O ATOM 927 OE2 GLU A 64 1.048 -15.254 -6.184 1.00 0.00 O ATOM 0 H GLU A 64 1.496 -12.996 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 64 3.910 -12.087 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.662 -14.478 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.725 -14.420 -3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.675 -15.412 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.960 -14.078 -3.935 1.00 0.00 H new ATOM 934 N ASN A 65 1.187 -11.461 -5.343 1.00 0.00 N ATOM 935 CA ASN A 65 0.493 -11.087 -6.613 1.00 0.00 C ATOM 936 C ASN A 65 -0.109 -9.667 -6.554 1.00 0.00 C ATOM 937 O ASN A 65 -0.948 -9.315 -7.362 1.00 0.00 O ATOM 938 CB ASN A 65 -0.593 -12.156 -6.769 1.00 0.00 C ATOM 939 CG ASN A 65 -1.660 -11.992 -5.679 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.547 -12.566 -4.614 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.698 -11.232 -5.902 1.00 0.00 N ATOM 0 H ASN A 65 0.767 -11.096 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 65 1.178 -11.057 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.054 -12.076 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.148 -13.149 -6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.413 -11.121 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.794 -10.749 -6.795 1.00 0.00 H new ATOM 948 N MET A 66 0.326 -8.845 -5.628 1.00 0.00 N ATOM 949 CA MET A 66 -0.204 -7.450 -5.541 1.00 0.00 C ATOM 950 C MET A 66 0.924 -6.436 -5.826 1.00 0.00 C ATOM 951 O MET A 66 0.711 -5.242 -5.811 1.00 0.00 O ATOM 952 CB MET A 66 -0.719 -7.320 -4.111 1.00 0.00 C ATOM 953 CG MET A 66 -1.895 -8.277 -3.899 1.00 0.00 C ATOM 954 SD MET A 66 -2.506 -8.119 -2.203 1.00 0.00 S ATOM 955 CE MET A 66 -3.671 -9.503 -2.251 1.00 0.00 C ATOM 0 H MET A 66 1.028 -9.083 -4.927 1.00 0.00 H new ATOM 0 HA MET A 66 -0.989 -7.250 -6.270 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.079 -7.547 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.033 -6.294 -3.919 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.693 -8.051 -4.606 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.581 -9.303 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.171 -9.591 -1.287 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.413 -9.327 -3.030 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.131 -10.425 -2.466 1.00 0.00 H new ATOM 965 N VAL A 67 2.122 -6.912 -6.092 1.00 0.00 N ATOM 966 CA VAL A 67 3.275 -5.993 -6.378 1.00 0.00 C ATOM 967 C VAL A 67 3.318 -5.596 -7.864 1.00 0.00 C ATOM 968 O VAL A 67 2.658 -6.190 -8.697 1.00 0.00 O ATOM 969 CB VAL A 67 4.525 -6.814 -6.021 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.576 -8.083 -6.879 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.782 -5.984 -6.291 1.00 0.00 C ATOM 0 H VAL A 67 2.351 -7.905 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 67 3.198 -5.065 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 67 4.480 -7.085 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.464 -8.661 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.686 -8.684 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.615 -7.808 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.666 -6.569 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.818 -5.711 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.758 -5.080 -5.683 1.00 0.00 H new ATOM 981 N GLY A 68 4.118 -4.606 -8.198 1.00 0.00 N ATOM 982 CA GLY A 68 4.243 -4.177 -9.621 1.00 0.00 C ATOM 983 C GLY A 68 3.732 -2.745 -9.811 1.00 0.00 C ATOM 984 O GLY A 68 3.992 -2.127 -10.826 1.00 0.00 O ATOM 0 H GLY A 68 4.690 -4.078 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.286 -4.239 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.678 -4.856 -10.260 1.00 0.00 H new ATOM 988 N HIS A 69 2.990 -2.215 -8.867 1.00 0.00 N ATOM 989 CA HIS A 69 2.451 -0.837 -9.034 1.00 0.00 C ATOM 990 C HIS A 69 2.974 0.098 -7.936 1.00 0.00 C ATOM 991 O HIS A 69 3.957 0.788 -8.115 1.00 0.00 O ATOM 992 CB HIS A 69 0.928 -1.009 -8.936 1.00 0.00 C ATOM 993 CG HIS A 69 0.441 -1.801 -10.125 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.824 -3.019 -10.642 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.574 -1.344 -10.952 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.063 -3.310 -11.769 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.764 -2.269 -11.911 1.00 0.00 N flip ATOM 0 H HIS A 69 2.738 -2.678 -7.994 1.00 0.00 H new ATOM 0 HA HIS A 69 2.756 -0.384 -9.977 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.667 -1.522 -8.010 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.441 -0.034 -8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.114 -0.415 -10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.126 -4.188 -12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.455 -2.186 -12.656 1.00 0.00 H new ATOM 1005 N LYS A 70 2.305 0.129 -6.814 1.00 0.00 N ATOM 1006 CA LYS A 70 2.716 1.012 -5.670 1.00 0.00 C ATOM 1007 C LYS A 70 1.709 0.859 -4.526 1.00 0.00 C ATOM 1008 O LYS A 70 2.040 0.932 -3.358 1.00 0.00 O ATOM 1009 CB LYS A 70 2.710 2.458 -6.197 1.00 0.00 C ATOM 1010 CG LYS A 70 1.507 2.682 -7.117 1.00 0.00 C ATOM 1011 CD LYS A 70 0.328 3.238 -6.311 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.456 4.237 -7.168 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.674 3.501 -7.612 1.00 0.00 N ATOM 0 H LYS A 70 1.472 -0.431 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 70 3.703 0.746 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.673 3.157 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.634 2.659 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.773 3.376 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.223 1.743 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.325 2.425 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.691 3.726 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.720 5.125 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.134 4.572 -8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.234 4.107 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.392 2.637 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.247 3.245 -6.782 1.00 0.00 H new ATOM 1027 N LEU A 71 0.476 0.649 -4.901 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.653 0.480 -3.925 1.00 0.00 C ATOM 1029 C LEU A 71 -2.002 0.276 -4.670 1.00 0.00 C ATOM 1030 O LEU A 71 -2.970 -0.165 -4.080 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.679 1.775 -3.082 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.589 2.832 -3.724 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.982 2.769 -3.089 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.991 4.223 -3.493 1.00 0.00 C ATOM 0 H LEU A 71 0.190 0.585 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.510 -0.400 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.031 1.551 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.332 2.171 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.669 2.638 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.625 3.521 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.410 1.779 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.903 2.962 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.635 4.976 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.912 4.412 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.000 4.273 -3.944 1.00 0.00 H new ATOM 1046 N GLY A 72 -2.074 0.590 -5.955 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.351 0.414 -6.717 1.00 0.00 C ATOM 1048 C GLY A 72 -3.614 -1.074 -6.984 1.00 0.00 C ATOM 1049 O GLY A 72 -4.713 -1.459 -7.330 1.00 0.00 O ATOM 0 H GLY A 72 -1.297 0.961 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.180 0.841 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.296 0.955 -7.661 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.625 -1.914 -6.798 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.825 -3.382 -7.007 1.00 0.00 C ATOM 1055 C GLU A 73 -3.531 -3.956 -5.787 1.00 0.00 C ATOM 1056 O GLU A 73 -4.174 -4.987 -5.846 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.422 -3.973 -7.105 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.942 -3.924 -8.548 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.179 -5.280 -9.218 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.408 -6.190 -8.959 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -2.126 -5.384 -9.979 1.00 0.00 O ATOM 0 H GLU A 73 -1.684 -1.645 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.421 -3.601 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.737 -3.416 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.425 -5.003 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.472 -3.142 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.118 -3.672 -8.580 1.00 0.00 H new ATOM 1068 N PHE A 74 -3.409 -3.273 -4.683 1.00 0.00 N ATOM 1069 CA PHE A 74 -4.056 -3.728 -3.430 1.00 0.00 C ATOM 1070 C PHE A 74 -5.386 -2.987 -3.257 1.00 0.00 C ATOM 1071 O PHE A 74 -6.268 -3.435 -2.550 1.00 0.00 O ATOM 1072 CB PHE A 74 -3.085 -3.355 -2.303 1.00 0.00 C ATOM 1073 CG PHE A 74 -1.645 -3.659 -2.688 1.00 0.00 C ATOM 1074 CD1 PHE A 74 -0.896 -2.724 -3.418 1.00 0.00 C ATOM 1075 CD2 PHE A 74 -1.044 -4.854 -2.275 1.00 0.00 C ATOM 1076 CE1 PHE A 74 0.432 -2.986 -3.733 1.00 0.00 C ATOM 1077 CE2 PHE A 74 0.295 -5.106 -2.587 1.00 0.00 C ATOM 1078 CZ PHE A 74 1.031 -4.173 -3.315 1.00 0.00 C ATOM 0 H PHE A 74 -2.879 -2.406 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.265 -4.798 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.185 -2.295 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.346 -3.906 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.353 -1.798 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.615 -5.581 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.002 -2.267 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.760 -6.025 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.065 -4.370 -3.555 1.00 0.00 H new ATOM 1088 N ALA A 75 -5.538 -1.855 -3.916 1.00 0.00 N ATOM 1089 CA ALA A 75 -6.807 -1.084 -3.812 1.00 0.00 C ATOM 1090 C ALA A 75 -7.293 -0.683 -5.215 1.00 0.00 C ATOM 1091 O ALA A 75 -7.532 0.483 -5.474 1.00 0.00 O ATOM 1092 CB ALA A 75 -6.445 0.153 -2.986 1.00 0.00 C ATOM 0 H ALA A 75 -4.830 -1.439 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.612 -1.657 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.329 0.779 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.079 -0.157 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.669 0.720 -3.500 1.00 0.00 H new ATOM 1098 N PRO A 76 -7.429 -1.666 -6.085 1.00 0.00 N ATOM 1099 CA PRO A 76 -7.895 -1.402 -7.465 1.00 0.00 C ATOM 1100 C PRO A 76 -9.428 -1.375 -7.509 1.00 0.00 C ATOM 1101 O PRO A 76 -10.053 -2.032 -8.322 1.00 0.00 O ATOM 1102 CB PRO A 76 -7.335 -2.579 -8.257 1.00 0.00 C ATOM 1103 CG PRO A 76 -7.153 -3.690 -7.264 1.00 0.00 C ATOM 1104 CD PRO A 76 -7.167 -3.095 -5.876 1.00 0.00 C ATOM 0 HA PRO A 76 -7.568 -0.441 -7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.018 -2.874 -9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.388 -2.318 -8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.949 -4.427 -7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.212 -4.210 -7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.939 -3.553 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.216 -3.253 -5.368 1.00 0.00 H new ATOM 1112 N THR A 77 -10.032 -0.617 -6.630 1.00 0.00 N ATOM 1113 CA THR A 77 -11.526 -0.532 -6.595 1.00 0.00 C ATOM 1114 C THR A 77 -12.068 0.044 -7.912 1.00 0.00 C ATOM 1115 O THR A 77 -11.492 0.950 -8.490 1.00 0.00 O ATOM 1116 CB THR A 77 -11.857 0.394 -5.412 1.00 0.00 C ATOM 1117 OG1 THR A 77 -13.263 0.405 -5.201 1.00 0.00 O ATOM 1118 CG2 THR A 77 -11.374 1.820 -5.700 1.00 0.00 C ATOM 0 H THR A 77 -9.553 -0.050 -5.931 1.00 0.00 H new ATOM 0 HA THR A 77 -11.985 -1.514 -6.476 1.00 0.00 H new ATOM 0 HB THR A 77 -11.351 0.023 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.476 0.993 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.615 2.464 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.295 1.814 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.868 2.197 -6.595 1.00 0.00 H new ATOM 1126 N ARG A 78 -13.169 -0.481 -8.390 1.00 0.00 N ATOM 1127 CA ARG A 78 -13.756 0.023 -9.669 1.00 0.00 C ATOM 1128 C ARG A 78 -15.279 -0.159 -9.660 1.00 0.00 C ATOM 1129 O ARG A 78 -15.775 -1.267 -9.564 1.00 0.00 O ATOM 1130 CB ARG A 78 -13.116 -0.834 -10.765 1.00 0.00 C ATOM 1131 CG ARG A 78 -13.373 -0.198 -12.134 1.00 0.00 C ATOM 1132 CD ARG A 78 -12.059 0.347 -12.701 1.00 0.00 C ATOM 1133 NE ARG A 78 -12.329 0.571 -14.150 1.00 0.00 N ATOM 1134 CZ ARG A 78 -12.561 1.779 -14.594 1.00 0.00 C ATOM 1135 NH1 ARG A 78 -11.574 2.509 -15.045 1.00 0.00 N ATOM 1136 NH2 ARG A 78 -13.780 2.253 -14.590 1.00 0.00 N ATOM 0 H ARG A 78 -13.688 -1.240 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.565 1.085 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.044 -0.923 -10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.528 -1.843 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.797 -0.936 -12.815 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.103 0.607 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.769 1.274 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.243 -0.361 -12.556 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.333 -0.219 -14.796 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.625 2.136 -15.050 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.754 3.451 -15.392 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.549 1.681 -14.241 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.962 3.195 -14.936 1.00 0.00 H new ATOM 1150 N THR A 79 -16.016 0.927 -9.759 1.00 0.00 N ATOM 1151 CA THR A 79 -17.519 0.856 -9.760 1.00 0.00 C ATOM 1152 C THR A 79 -18.043 0.309 -8.420 1.00 0.00 C ATOM 1153 O THR A 79 -17.296 -0.220 -7.617 1.00 0.00 O ATOM 1154 CB THR A 79 -17.895 -0.084 -10.921 1.00 0.00 C ATOM 1155 OG1 THR A 79 -17.096 0.212 -12.062 1.00 0.00 O ATOM 1156 CG2 THR A 79 -19.374 0.100 -11.276 1.00 0.00 C ATOM 0 H THR A 79 -15.636 1.870 -9.840 1.00 0.00 H new ATOM 0 HA THR A 79 -17.964 1.843 -9.886 1.00 0.00 H new ATOM 0 HB THR A 79 -17.719 -1.115 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.338 -0.390 -12.796 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.637 -0.566 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 79 -19.989 -0.135 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 79 -19.550 1.133 -11.576 1.00 0.00 H new ATOM 1164 N TYR A 80 -19.324 0.438 -8.176 1.00 0.00 N ATOM 1165 CA TYR A 80 -19.903 -0.069 -6.893 1.00 0.00 C ATOM 1166 C TYR A 80 -20.439 -1.492 -7.081 1.00 0.00 C ATOM 1167 O TYR A 80 -19.686 -2.436 -7.208 1.00 0.00 O ATOM 1168 CB TYR A 80 -21.047 0.894 -6.559 1.00 0.00 C ATOM 1169 CG TYR A 80 -20.485 2.155 -5.943 1.00 0.00 C ATOM 1170 CD1 TYR A 80 -20.241 2.214 -4.566 1.00 0.00 C ATOM 1171 CD2 TYR A 80 -20.210 3.266 -6.751 1.00 0.00 C ATOM 1172 CE1 TYR A 80 -19.721 3.382 -3.997 1.00 0.00 C ATOM 1173 CE2 TYR A 80 -19.691 4.433 -6.181 1.00 0.00 C ATOM 1174 CZ TYR A 80 -19.446 4.493 -4.803 1.00 0.00 C ATOM 1175 OH TYR A 80 -18.934 5.644 -4.242 1.00 0.00 O ATOM 0 H TYR A 80 -19.994 0.873 -8.810 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.161 -0.109 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -21.607 1.137 -7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -21.745 0.420 -5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -20.454 1.358 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -20.399 3.221 -7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -19.532 3.426 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.479 5.289 -6.804 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.800 6.317 -4.941 1.00 0.00 H new TER 1185 TYR A 80