USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0.0101 USER MOD Set 1.2: A 115 THR OG1 : rot 117:sc= 0.00442 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 MET CE :methyl 162:sc= -0.202 (180deg=-0.389) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 31 ASN :FLIP amide:sc= -0.439 F(o=-1.5,f=-0.44) USER MOD Set 4.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 109 LYS NZ :NH3+ -143:sc= 1.31 (180deg=0.345) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc=-0.00956 (180deg=-0.212) USER MOD Single : A 15 SER OG : rot 54:sc= 1.04! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 23 ASN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -0.218 (180deg=-1.37!) USER MOD Single : A 47 GLN : amide:sc= -0.0962 K(o=-0.096,f=-2.6!) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.56 USER MOD Single : A 59 ASN :FLIP amide:sc= -8.42! C(o=-8.9!,f=-8.4!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.34) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00694) USER MOD Single : A 71 THR OG1 : rot 53:sc= -0.705 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.108 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= -0.244 (180deg=-1.24) USER MOD Single : A 94 ASN : amide:sc= 0.203 K(o=0.2,f=-0.32) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.12 F(o=-0.8,f=-0.12) USER MOD Single : A 104 SER OG : rot 53:sc= -6.33! USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0882 USER MOD Single : A 119 LYS NZ :NH3+ -159:sc= 0.698 (180deg=0.159) USER MOD Single : A 121 ASN :FLIP amide:sc= -4.67! C(o=-6.8!,f=-4.7!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= -0.0444 (180deg=-0.406) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.057 0.846 8.894 1.00 0.00 N ATOM 2 CA ALA A 2 -12.930 1.625 9.480 1.00 0.00 C ATOM 3 C ALA A 2 -13.162 3.118 9.233 1.00 0.00 C ATOM 4 O ALA A 2 -13.341 3.889 10.154 1.00 0.00 O ATOM 5 CB ALA A 2 -11.617 1.197 8.820 1.00 0.00 C ATOM 0 HA ALA A 2 -12.876 1.437 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.792 1.766 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.452 0.134 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.670 1.386 7.748 1.00 0.00 H new ATOM 11 N ASP A 3 -13.163 3.528 7.995 1.00 0.00 N ATOM 12 CA ASP A 3 -13.387 4.968 7.682 1.00 0.00 C ATOM 13 C ASP A 3 -13.838 5.100 6.227 1.00 0.00 C ATOM 14 O ASP A 3 -13.447 4.328 5.378 1.00 0.00 O ATOM 15 CB ASP A 3 -12.087 5.747 7.889 1.00 0.00 C ATOM 16 CG ASP A 3 -12.278 6.770 9.011 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.831 6.400 10.034 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.868 7.904 8.829 1.00 0.00 O ATOM 0 H ASP A 3 -13.018 2.926 7.184 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.155 5.371 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.277 5.063 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.803 6.252 6.966 1.00 0.00 H new ATOM 23 N LYS A 4 -14.665 6.060 5.930 1.00 0.00 N ATOM 24 CA LYS A 4 -15.135 6.219 4.526 1.00 0.00 C ATOM 25 C LYS A 4 -14.191 7.149 3.761 1.00 0.00 C ATOM 26 O LYS A 4 -14.473 7.548 2.648 1.00 0.00 O ATOM 27 CB LYS A 4 -16.542 6.814 4.517 1.00 0.00 C ATOM 28 CG LYS A 4 -17.527 5.830 5.159 1.00 0.00 C ATOM 29 CD LYS A 4 -18.656 5.513 4.173 1.00 0.00 C ATOM 30 CE LYS A 4 -19.562 4.422 4.753 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.931 4.973 4.960 1.00 0.00 N ATOM 0 H LYS A 4 -15.035 6.739 6.594 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.148 5.241 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.551 7.758 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.847 7.033 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.009 4.913 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.939 6.257 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.238 6.412 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.238 5.184 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.600 3.568 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.156 4.062 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.547 4.233 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.886 5.775 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.316 5.296 4.050 1.00 0.00 H new ATOM 45 N GLU A 5 -13.081 7.510 4.344 1.00 0.00 N ATOM 46 CA GLU A 5 -12.137 8.422 3.634 1.00 0.00 C ATOM 47 C GLU A 5 -10.721 8.231 4.180 1.00 0.00 C ATOM 48 O GLU A 5 -10.066 9.179 4.565 1.00 0.00 O ATOM 49 CB GLU A 5 -12.562 9.879 3.854 1.00 0.00 C ATOM 50 CG GLU A 5 -13.883 10.155 3.133 1.00 0.00 C ATOM 51 CD GLU A 5 -14.116 11.666 3.063 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.695 12.353 3.978 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.713 12.108 2.096 1.00 0.00 O ATOM 0 H GLU A 5 -12.787 7.216 5.275 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.154 8.189 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.672 10.077 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.789 10.552 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.857 9.733 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.706 9.673 3.661 1.00 0.00 H new ATOM 60 N LEU A 6 -10.232 7.020 4.214 1.00 0.00 N ATOM 61 CA LEU A 6 -8.861 6.800 4.725 1.00 0.00 C ATOM 62 C LEU A 6 -7.877 7.218 3.630 1.00 0.00 C ATOM 63 O LEU A 6 -8.034 6.867 2.481 1.00 0.00 O ATOM 64 CB LEU A 6 -8.706 5.319 5.098 1.00 0.00 C ATOM 65 CG LEU A 6 -7.314 5.028 5.686 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.013 5.971 6.850 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.280 3.592 6.200 1.00 0.00 C ATOM 0 H LEU A 6 -10.725 6.181 3.910 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.662 7.393 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.473 5.043 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.865 4.702 4.214 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.568 5.175 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.024 5.749 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.039 7.002 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.761 5.835 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.296 3.378 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.038 3.464 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.481 2.906 5.377 1.00 0.00 H new ATOM 79 N LYS A 7 -6.894 8.008 3.961 1.00 0.00 N ATOM 80 CA LYS A 7 -5.939 8.494 2.923 1.00 0.00 C ATOM 81 C LYS A 7 -5.081 7.354 2.364 1.00 0.00 C ATOM 82 O LYS A 7 -4.207 6.831 3.035 1.00 0.00 O ATOM 83 CB LYS A 7 -5.027 9.554 3.542 1.00 0.00 C ATOM 84 CG LYS A 7 -5.720 10.917 3.482 1.00 0.00 C ATOM 85 CD LYS A 7 -5.080 11.863 4.499 1.00 0.00 C ATOM 86 CE LYS A 7 -5.483 13.303 4.181 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.708 13.787 3.003 1.00 0.00 N ATOM 0 H LYS A 7 -6.709 8.340 4.908 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.516 8.915 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.799 9.295 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.079 9.592 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.636 11.335 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.783 10.805 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.399 11.599 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.995 11.763 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.552 13.355 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.294 13.944 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.714 14.827 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.727 13.447 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.142 13.425 2.130 1.00 0.00 H new ATOM 101 N PHE A 8 -5.304 6.993 1.119 1.00 0.00 N ATOM 102 CA PHE A 8 -4.490 5.923 0.484 1.00 0.00 C ATOM 103 C PHE A 8 -3.511 6.569 -0.489 1.00 0.00 C ATOM 104 O PHE A 8 -3.815 7.571 -1.103 1.00 0.00 O ATOM 105 CB PHE A 8 -5.383 4.980 -0.337 1.00 0.00 C ATOM 106 CG PHE A 8 -6.235 4.111 0.552 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.499 4.551 0.946 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.767 2.862 0.971 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.295 3.745 1.765 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.562 2.054 1.793 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.827 2.498 2.191 1.00 0.00 C ATOM 0 H PHE A 8 -6.021 7.401 0.519 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.978 5.366 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.023 5.566 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.761 4.351 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.862 5.514 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.791 2.520 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.273 4.086 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.199 1.090 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.442 1.878 2.827 1.00 0.00 H new ATOM 121 N LEU A 9 -2.357 5.988 -0.655 1.00 0.00 N ATOM 122 CA LEU A 9 -1.368 6.544 -1.622 1.00 0.00 C ATOM 123 C LEU A 9 -0.989 5.437 -2.606 1.00 0.00 C ATOM 124 O LEU A 9 -0.263 4.523 -2.274 1.00 0.00 O ATOM 125 CB LEU A 9 -0.123 7.033 -0.876 1.00 0.00 C ATOM 126 CG LEU A 9 0.918 7.548 -1.873 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.327 8.696 -2.693 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.138 8.046 -1.107 1.00 0.00 C ATOM 0 H LEU A 9 -2.054 5.149 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.800 7.390 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.395 7.826 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.299 6.220 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 9 1.208 6.741 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.072 9.059 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.548 8.341 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.035 9.507 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.884 8.415 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.842 8.853 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.561 7.227 -0.525 1.00 0.00 H new ATOM 140 N VAL A 10 -1.487 5.501 -3.810 1.00 0.00 N ATOM 141 CA VAL A 10 -1.163 4.435 -4.801 1.00 0.00 C ATOM 142 C VAL A 10 0.080 4.830 -5.609 1.00 0.00 C ATOM 143 O VAL A 10 0.050 5.750 -6.401 1.00 0.00 O ATOM 144 CB VAL A 10 -2.358 4.242 -5.735 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.662 2.751 -5.861 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.584 4.957 -5.157 1.00 0.00 C ATOM 0 H VAL A 10 -2.101 6.241 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.955 3.501 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.123 4.657 -6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.514 2.608 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.793 2.236 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.897 2.343 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.434 4.818 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.820 4.541 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.371 6.021 -5.057 1.00 0.00 H new ATOM 156 N VAL A 11 1.175 4.133 -5.409 1.00 0.00 N ATOM 157 CA VAL A 11 2.426 4.455 -6.149 1.00 0.00 C ATOM 158 C VAL A 11 2.784 3.303 -7.090 1.00 0.00 C ATOM 159 O VAL A 11 3.223 2.255 -6.661 1.00 0.00 O ATOM 160 CB VAL A 11 3.567 4.670 -5.151 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.837 5.092 -5.895 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.175 5.771 -4.166 1.00 0.00 C ATOM 0 H VAL A 11 1.250 3.350 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 11 2.274 5.362 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 11 3.754 3.740 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.645 5.243 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.120 4.313 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.651 6.021 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.985 5.927 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.987 6.696 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.273 5.476 -3.630 1.00 0.00 H new ATOM 172 N ASP A 12 2.601 3.486 -8.373 1.00 0.00 N ATOM 173 CA ASP A 12 2.930 2.393 -9.334 1.00 0.00 C ATOM 174 C ASP A 12 2.815 2.902 -10.774 1.00 0.00 C ATOM 175 O ASP A 12 1.745 3.259 -11.224 1.00 0.00 O ATOM 176 CB ASP A 12 1.940 1.239 -9.145 1.00 0.00 C ATOM 177 CG ASP A 12 2.441 0.006 -9.899 1.00 0.00 C ATOM 178 OD1 ASP A 12 3.639 -0.095 -10.101 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.616 -0.817 -10.261 1.00 0.00 O ATOM 0 H ASP A 12 2.239 4.342 -8.794 1.00 0.00 H new ATOM 0 HA ASP A 12 3.949 2.056 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.830 1.010 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.955 1.527 -9.512 1.00 0.00 H new ATOM 184 N ASP A 13 3.897 2.910 -11.515 1.00 0.00 N ATOM 185 CA ASP A 13 3.808 3.363 -12.934 1.00 0.00 C ATOM 186 C ASP A 13 2.649 2.602 -13.574 1.00 0.00 C ATOM 187 O ASP A 13 2.489 1.418 -13.348 1.00 0.00 O ATOM 188 CB ASP A 13 5.112 3.036 -13.664 1.00 0.00 C ATOM 189 CG ASP A 13 5.576 4.260 -14.457 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.632 5.332 -13.876 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.870 4.104 -15.630 1.00 0.00 O ATOM 0 H ASP A 13 4.825 2.626 -11.202 1.00 0.00 H new ATOM 0 HA ASP A 13 3.646 4.439 -12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.879 2.743 -12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.963 2.190 -14.335 1.00 0.00 H new ATOM 196 N PHE A 14 1.804 3.252 -14.324 1.00 0.00 N ATOM 197 CA PHE A 14 0.643 2.507 -14.891 1.00 0.00 C ATOM 198 C PHE A 14 -0.136 3.344 -15.918 1.00 0.00 C ATOM 199 O PHE A 14 0.374 4.255 -16.539 1.00 0.00 O ATOM 200 CB PHE A 14 -0.313 2.171 -13.735 1.00 0.00 C ATOM 201 CG PHE A 14 -1.274 3.330 -13.528 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.818 4.653 -13.535 1.00 0.00 C ATOM 203 CD2 PHE A 14 -2.629 3.070 -13.367 1.00 0.00 C ATOM 204 CE1 PHE A 14 -1.723 5.710 -13.375 1.00 0.00 C ATOM 205 CE2 PHE A 14 -3.538 4.121 -13.213 1.00 0.00 C ATOM 206 CZ PHE A 14 -3.084 5.443 -13.215 1.00 0.00 C ATOM 0 H PHE A 14 1.862 4.241 -14.565 1.00 0.00 H new ATOM 0 HA PHE A 14 1.021 1.616 -15.392 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.867 1.259 -13.959 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.253 1.984 -12.822 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.234 4.860 -13.664 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.983 2.050 -13.361 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.368 6.730 -13.375 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.591 3.912 -13.093 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.784 6.256 -13.093 1.00 0.00 H new ATOM 216 N SER A 15 -1.398 3.022 -16.050 1.00 0.00 N ATOM 217 CA SER A 15 -2.318 3.741 -16.967 1.00 0.00 C ATOM 218 C SER A 15 -3.705 3.118 -16.780 1.00 0.00 C ATOM 219 O SER A 15 -4.607 3.306 -17.573 1.00 0.00 O ATOM 220 CB SER A 15 -1.859 3.563 -18.414 1.00 0.00 C ATOM 221 OG SER A 15 -2.876 2.900 -19.153 1.00 0.00 O ATOM 0 H SER A 15 -1.839 2.259 -15.537 1.00 0.00 H new ATOM 0 HA SER A 15 -2.333 4.809 -16.748 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.643 4.534 -18.861 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.935 2.985 -18.446 1.00 0.00 H new ATOM 0 HG SER A 15 -3.723 3.383 -19.051 1.00 0.00 H new ATOM 227 N THR A 16 -3.853 2.330 -15.738 1.00 0.00 N ATOM 228 CA THR A 16 -5.148 1.628 -15.479 1.00 0.00 C ATOM 229 C THR A 16 -5.183 1.089 -14.040 1.00 0.00 C ATOM 230 O THR A 16 -6.041 1.434 -13.254 1.00 0.00 O ATOM 231 CB THR A 16 -5.238 0.442 -16.435 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.823 -0.656 -15.752 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.824 0.059 -16.899 1.00 0.00 C ATOM 0 H THR A 16 -3.123 2.144 -15.051 1.00 0.00 H new ATOM 0 HA THR A 16 -5.975 2.323 -15.623 1.00 0.00 H new ATOM 0 HB THR A 16 -5.847 0.706 -17.300 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.886 -1.423 -16.359 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.882 -0.788 -17.582 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.367 0.906 -17.410 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.219 -0.213 -16.034 1.00 0.00 H new ATOM 241 N MET A 17 -4.237 0.243 -13.710 1.00 0.00 N ATOM 242 CA MET A 17 -4.147 -0.351 -12.342 1.00 0.00 C ATOM 243 C MET A 17 -4.578 0.660 -11.264 1.00 0.00 C ATOM 244 O MET A 17 -5.634 0.518 -10.681 1.00 0.00 O ATOM 245 CB MET A 17 -2.693 -0.800 -12.109 1.00 0.00 C ATOM 246 CG MET A 17 -2.351 -0.814 -10.616 1.00 0.00 C ATOM 247 SD MET A 17 -0.996 -1.977 -10.321 1.00 0.00 S ATOM 248 CE MET A 17 -1.306 -2.238 -8.558 1.00 0.00 C ATOM 0 H MET A 17 -3.506 -0.067 -14.350 1.00 0.00 H new ATOM 0 HA MET A 17 -4.822 -1.203 -12.270 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.545 -1.795 -12.528 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.014 -0.129 -12.634 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.065 0.185 -10.288 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.226 -1.103 -10.034 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.571 -2.937 -8.159 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.226 -1.288 -8.030 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.307 -2.646 -8.421 1.00 0.00 H new ATOM 258 N ARG A 18 -3.775 1.655 -10.964 1.00 0.00 N ATOM 259 CA ARG A 18 -4.180 2.620 -9.894 1.00 0.00 C ATOM 260 C ARG A 18 -5.641 3.042 -10.101 1.00 0.00 C ATOM 261 O ARG A 18 -6.336 3.374 -9.160 1.00 0.00 O ATOM 262 CB ARG A 18 -3.268 3.855 -9.888 1.00 0.00 C ATOM 263 CG ARG A 18 -1.805 3.412 -9.988 1.00 0.00 C ATOM 264 CD ARG A 18 -0.884 4.609 -9.734 1.00 0.00 C ATOM 265 NE ARG A 18 -1.093 5.632 -10.795 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.166 6.519 -11.040 1.00 0.00 C ATOM 267 NH1 ARG A 18 1.070 6.140 -11.217 1.00 0.00 N ATOM 268 NH2 ARG A 18 -0.477 7.784 -11.111 1.00 0.00 N ATOM 0 H ARG A 18 -2.874 1.838 -11.405 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.080 2.124 -8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.519 4.509 -10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.423 4.430 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.603 2.625 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.609 2.993 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.091 5.039 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.157 4.285 -9.727 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.961 5.640 -11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.313 5.151 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.794 6.833 -11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.444 8.080 -10.975 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.246 8.477 -11.302 1.00 0.00 H new ATOM 282 N ARG A 19 -6.129 3.010 -11.319 1.00 0.00 N ATOM 283 CA ARG A 19 -7.553 3.392 -11.551 1.00 0.00 C ATOM 284 C ARG A 19 -8.454 2.220 -11.154 1.00 0.00 C ATOM 285 O ARG A 19 -9.561 2.404 -10.688 1.00 0.00 O ATOM 286 CB ARG A 19 -7.772 3.721 -13.032 1.00 0.00 C ATOM 287 CG ARG A 19 -8.275 5.158 -13.169 1.00 0.00 C ATOM 288 CD ARG A 19 -8.546 5.465 -14.644 1.00 0.00 C ATOM 289 NE ARG A 19 -9.757 4.721 -15.091 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.709 3.985 -16.168 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.962 4.350 -17.174 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.407 2.885 -16.239 1.00 0.00 N ATOM 0 H ARG A 19 -5.607 2.739 -12.152 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.795 4.270 -10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.840 3.597 -13.584 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.494 3.029 -13.466 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.185 5.293 -12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.535 5.853 -12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.692 6.536 -14.783 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.686 5.179 -15.250 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.623 4.787 -14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.416 5.210 -17.118 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.924 3.775 -18.016 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.991 2.600 -15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.369 2.310 -17.081 1.00 0.00 H new ATOM 306 N ILE A 20 -7.986 1.015 -11.333 1.00 0.00 N ATOM 307 CA ILE A 20 -8.809 -0.170 -10.962 1.00 0.00 C ATOM 308 C ILE A 20 -8.979 -0.202 -9.441 1.00 0.00 C ATOM 309 O ILE A 20 -10.080 -0.248 -8.930 1.00 0.00 O ATOM 310 CB ILE A 20 -8.102 -1.446 -11.449 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.684 -1.855 -12.805 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.302 -2.593 -10.450 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.783 -2.909 -13.452 1.00 0.00 C ATOM 0 H ILE A 20 -7.067 0.800 -11.721 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.792 -0.110 -11.429 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.035 -1.242 -11.540 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.691 -2.252 -12.675 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.766 -0.984 -13.455 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.794 -3.486 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.888 -2.309 -9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.367 -2.800 -10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.198 -3.200 -14.417 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.785 -2.496 -13.596 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.723 -3.784 -12.804 1.00 0.00 H new ATOM 325 N VAL A 21 -7.895 -0.179 -8.715 1.00 0.00 N ATOM 326 CA VAL A 21 -7.992 -0.208 -7.229 1.00 0.00 C ATOM 327 C VAL A 21 -8.867 0.952 -6.750 1.00 0.00 C ATOM 328 O VAL A 21 -9.659 0.804 -5.841 1.00 0.00 O ATOM 329 CB VAL A 21 -6.599 -0.068 -6.616 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.136 -1.416 -6.067 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.618 0.402 -7.682 1.00 0.00 C ATOM 0 H VAL A 21 -6.946 -0.141 -9.087 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.433 -1.156 -6.920 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.638 0.660 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.142 -1.310 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.833 -1.756 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.101 -2.146 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.625 0.502 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.586 -0.326 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.940 1.367 -8.073 1.00 0.00 H new ATOM 341 N ARG A 22 -8.723 2.108 -7.351 1.00 0.00 N ATOM 342 CA ARG A 22 -9.544 3.282 -6.930 1.00 0.00 C ATOM 343 C ARG A 22 -10.993 2.843 -6.717 1.00 0.00 C ATOM 344 O ARG A 22 -11.572 3.052 -5.669 1.00 0.00 O ATOM 345 CB ARG A 22 -9.499 4.344 -8.028 1.00 0.00 C ATOM 346 CG ARG A 22 -8.595 5.497 -7.587 1.00 0.00 C ATOM 347 CD ARG A 22 -8.530 6.552 -8.694 1.00 0.00 C ATOM 348 NE ARG A 22 -8.402 7.903 -8.080 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.471 8.571 -7.743 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.515 7.939 -7.282 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.496 9.871 -7.867 1.00 0.00 N ATOM 0 H ARG A 22 -8.072 2.288 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.146 3.690 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.125 3.909 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.504 4.714 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.978 5.942 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.595 5.124 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.681 6.356 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.427 6.504 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.478 8.306 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.495 6.924 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.351 8.460 -7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.679 10.365 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.332 10.392 -7.603 1.00 0.00 H new ATOM 365 N ASN A 23 -11.572 2.220 -7.701 1.00 0.00 N ATOM 366 CA ASN A 23 -12.965 1.741 -7.582 1.00 0.00 C ATOM 367 C ASN A 23 -13.032 0.701 -6.476 1.00 0.00 C ATOM 368 O ASN A 23 -13.776 0.824 -5.523 1.00 0.00 O ATOM 369 CB ASN A 23 -13.320 1.072 -8.896 1.00 0.00 C ATOM 370 CG ASN A 23 -14.737 1.461 -9.321 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.976 1.764 -10.473 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.693 1.463 -8.433 1.00 0.00 N ATOM 0 H ASN A 23 -11.127 2.021 -8.597 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.646 2.562 -7.357 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.608 1.367 -9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.248 -0.011 -8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.642 1.719 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.491 1.208 -7.466 1.00 0.00 H new ATOM 379 N LEU A 24 -12.242 -0.323 -6.624 1.00 0.00 N ATOM 380 CA LEU A 24 -12.195 -1.425 -5.621 1.00 0.00 C ATOM 381 C LEU A 24 -12.333 -0.846 -4.211 1.00 0.00 C ATOM 382 O LEU A 24 -13.234 -1.191 -3.473 1.00 0.00 O ATOM 383 CB LEU A 24 -10.844 -2.127 -5.761 1.00 0.00 C ATOM 384 CG LEU A 24 -10.832 -3.479 -5.016 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.399 -4.584 -5.983 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.844 -3.451 -3.842 1.00 0.00 C ATOM 0 H LEU A 24 -11.612 -0.447 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.010 -2.129 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.624 -2.289 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.056 -1.485 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.836 -3.667 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.389 -5.541 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.099 -4.633 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.400 -4.366 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.855 -4.415 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.840 -3.249 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.134 -2.668 -3.141 1.00 0.00 H new ATOM 398 N LEU A 25 -11.457 0.044 -3.834 1.00 0.00 N ATOM 399 CA LEU A 25 -11.558 0.654 -2.480 1.00 0.00 C ATOM 400 C LEU A 25 -12.924 1.318 -2.345 1.00 0.00 C ATOM 401 O LEU A 25 -13.658 1.068 -1.409 1.00 0.00 O ATOM 402 CB LEU A 25 -10.464 1.711 -2.311 1.00 0.00 C ATOM 403 CG LEU A 25 -9.136 1.044 -1.945 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.980 1.932 -2.407 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.049 0.858 -0.425 1.00 0.00 C ATOM 0 H LEU A 25 -10.678 0.374 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.436 -0.115 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.352 2.279 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.750 2.420 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.076 0.071 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.032 1.460 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.034 2.067 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.048 2.903 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.102 0.383 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.111 1.830 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.873 0.229 -0.088 1.00 0.00 H new ATOM 417 N LYS A 26 -13.272 2.160 -3.277 1.00 0.00 N ATOM 418 CA LYS A 26 -14.590 2.835 -3.206 1.00 0.00 C ATOM 419 C LYS A 26 -15.668 1.790 -2.929 1.00 0.00 C ATOM 420 O LYS A 26 -16.670 2.072 -2.299 1.00 0.00 O ATOM 421 CB LYS A 26 -14.880 3.538 -4.533 1.00 0.00 C ATOM 422 CG LYS A 26 -15.576 4.871 -4.260 1.00 0.00 C ATOM 423 CD LYS A 26 -16.281 5.350 -5.529 1.00 0.00 C ATOM 424 CE LYS A 26 -16.548 6.853 -5.427 1.00 0.00 C ATOM 425 NZ LYS A 26 -15.378 7.603 -5.965 1.00 0.00 N ATOM 0 H LYS A 26 -12.699 2.408 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.583 3.576 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.952 3.705 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.510 2.908 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.298 4.757 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.847 5.613 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.665 5.138 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.219 4.811 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.448 7.112 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.726 7.132 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.559 8.625 -5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.529 7.364 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.228 7.345 -6.961 1.00 0.00 H new ATOM 439 N GLU A 27 -15.473 0.581 -3.387 1.00 0.00 N ATOM 440 CA GLU A 27 -16.487 -0.473 -3.138 1.00 0.00 C ATOM 441 C GLU A 27 -16.865 -0.456 -1.659 1.00 0.00 C ATOM 442 O GLU A 27 -18.019 -0.572 -1.300 1.00 0.00 O ATOM 443 CB GLU A 27 -15.918 -1.843 -3.514 1.00 0.00 C ATOM 444 CG GLU A 27 -17.068 -2.815 -3.783 1.00 0.00 C ATOM 445 CD GLU A 27 -16.521 -4.240 -3.873 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.122 -4.767 -2.849 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.512 -4.781 -4.967 1.00 0.00 O ATOM 0 H GLU A 27 -14.656 0.283 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.371 -0.283 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.286 -1.756 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.289 -2.221 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.809 -2.748 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.574 -2.549 -4.711 1.00 0.00 H new ATOM 454 N LEU A 28 -15.900 -0.295 -0.794 1.00 0.00 N ATOM 455 CA LEU A 28 -16.216 -0.251 0.661 1.00 0.00 C ATOM 456 C LEU A 28 -16.844 1.104 0.979 1.00 0.00 C ATOM 457 O LEU A 28 -17.998 1.198 1.347 1.00 0.00 O ATOM 458 CB LEU A 28 -14.932 -0.428 1.482 1.00 0.00 C ATOM 459 CG LEU A 28 -15.271 -0.555 2.976 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.372 -1.617 3.610 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.037 0.786 3.682 1.00 0.00 C ATOM 0 H LEU A 28 -14.913 -0.193 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.907 -1.055 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.396 -1.316 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.270 0.423 1.323 1.00 0.00 H new ATOM 0 HG LEU A 28 -16.318 -0.841 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.610 -1.710 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.536 -2.575 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.328 -1.325 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.280 0.687 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.992 1.076 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.673 1.549 3.234 1.00 0.00 H new ATOM 473 N GLY A 29 -16.087 2.156 0.832 1.00 0.00 N ATOM 474 CA GLY A 29 -16.626 3.508 1.114 1.00 0.00 C ATOM 475 C GLY A 29 -15.489 4.537 1.220 1.00 0.00 C ATOM 476 O GLY A 29 -15.653 5.584 1.811 1.00 0.00 O ATOM 0 H GLY A 29 -15.114 2.133 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.316 3.802 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.195 3.491 2.043 1.00 0.00 H new ATOM 480 N PHE A 30 -14.344 4.263 0.650 1.00 0.00 N ATOM 481 CA PHE A 30 -13.222 5.244 0.737 1.00 0.00 C ATOM 482 C PHE A 30 -13.295 6.209 -0.452 1.00 0.00 C ATOM 483 O PHE A 30 -13.680 5.833 -1.541 1.00 0.00 O ATOM 484 CB PHE A 30 -11.883 4.507 0.669 1.00 0.00 C ATOM 485 CG PHE A 30 -11.768 3.483 1.778 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.644 3.898 3.109 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.755 2.117 1.471 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.508 2.948 4.131 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.616 1.168 2.492 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.492 1.585 3.821 1.00 0.00 C ATOM 0 H PHE A 30 -14.138 3.409 0.132 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.303 5.789 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.785 4.013 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.065 5.224 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.653 4.951 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.852 1.794 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.416 3.269 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.605 0.115 2.253 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.384 0.854 4.608 1.00 0.00 H new ATOM 500 N ASN A 31 -12.924 7.448 -0.258 1.00 0.00 N ATOM 501 CA ASN A 31 -12.973 8.420 -1.390 1.00 0.00 C ATOM 502 C ASN A 31 -11.888 9.493 -1.222 1.00 0.00 C ATOM 503 O ASN A 31 -12.185 10.670 -1.145 1.00 0.00 O ATOM 504 CB ASN A 31 -14.348 9.088 -1.421 1.00 0.00 C ATOM 505 CG ASN A 31 -14.423 10.050 -2.609 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.723 9.799 -3.681 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.127 11.039 -2.561 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.591 7.827 0.629 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.797 7.886 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.129 8.332 -1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.522 9.628 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.674 11.235 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.171 11.673 -3.359 1.00 0.00 H new ATOM 514 N ASN A 32 -10.636 9.114 -1.169 1.00 0.00 N ATOM 515 CA ASN A 32 -9.559 10.140 -1.012 1.00 0.00 C ATOM 516 C ASN A 32 -8.179 9.482 -1.115 1.00 0.00 C ATOM 517 O ASN A 32 -7.716 8.839 -0.190 1.00 0.00 O ATOM 518 CB ASN A 32 -9.689 10.824 0.353 1.00 0.00 C ATOM 519 CG ASN A 32 -9.429 12.325 0.199 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.294 12.755 0.154 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.441 13.145 0.115 1.00 0.00 N ATOM 0 H ASN A 32 -10.314 8.148 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.665 10.879 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.685 10.657 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.979 10.391 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.279 14.147 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.394 12.784 0.153 1.00 0.00 H new ATOM 528 N VAL A 33 -7.509 9.647 -2.227 1.00 0.00 N ATOM 529 CA VAL A 33 -6.154 9.039 -2.377 1.00 0.00 C ATOM 530 C VAL A 33 -5.274 9.944 -3.239 1.00 0.00 C ATOM 531 O VAL A 33 -5.705 10.972 -3.722 1.00 0.00 O ATOM 532 CB VAL A 33 -6.260 7.658 -3.045 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.602 7.017 -2.698 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.150 7.791 -4.571 1.00 0.00 C ATOM 0 H VAL A 33 -7.841 10.175 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.712 8.927 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.445 7.034 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.672 6.039 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.681 6.901 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.412 7.653 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.227 6.805 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.955 8.426 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.189 8.237 -4.829 1.00 0.00 H new ATOM 544 N GLU A 34 -4.050 9.546 -3.452 1.00 0.00 N ATOM 545 CA GLU A 34 -3.134 10.349 -4.304 1.00 0.00 C ATOM 546 C GLU A 34 -2.336 9.389 -5.175 1.00 0.00 C ATOM 547 O GLU A 34 -2.639 8.215 -5.242 1.00 0.00 O ATOM 548 CB GLU A 34 -2.195 11.176 -3.431 1.00 0.00 C ATOM 549 CG GLU A 34 -2.710 12.617 -3.370 1.00 0.00 C ATOM 550 CD GLU A 34 -2.486 13.296 -4.723 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.357 13.672 -4.995 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.446 13.430 -5.464 1.00 0.00 O ATOM 0 H GLU A 34 -3.644 8.692 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.705 11.035 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.143 10.752 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.185 11.154 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.770 12.625 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.191 13.167 -2.585 1.00 0.00 H new ATOM 559 N GLU A 35 -1.333 9.864 -5.851 1.00 0.00 N ATOM 560 CA GLU A 35 -0.553 8.949 -6.724 1.00 0.00 C ATOM 561 C GLU A 35 0.901 9.407 -6.831 1.00 0.00 C ATOM 562 O GLU A 35 1.200 10.585 -6.843 1.00 0.00 O ATOM 563 CB GLU A 35 -1.174 8.941 -8.121 1.00 0.00 C ATOM 564 CG GLU A 35 -2.593 8.372 -8.054 1.00 0.00 C ATOM 565 CD GLU A 35 -3.086 8.067 -9.468 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.058 8.966 -10.292 1.00 0.00 O ATOM 567 OE2 GLU A 35 -3.484 6.938 -9.704 1.00 0.00 O ATOM 0 H GLU A 35 -1.021 10.835 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.575 7.950 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.197 9.953 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.564 8.342 -8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.605 7.465 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.260 9.086 -7.571 1.00 0.00 H new ATOM 574 N ALA A 36 1.803 8.470 -6.933 1.00 0.00 N ATOM 575 CA ALA A 36 3.246 8.815 -7.069 1.00 0.00 C ATOM 576 C ALA A 36 3.869 7.855 -8.084 1.00 0.00 C ATOM 577 O ALA A 36 3.166 7.121 -8.749 1.00 0.00 O ATOM 578 CB ALA A 36 3.934 8.681 -5.710 1.00 0.00 C ATOM 0 H ALA A 36 1.600 7.470 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 36 3.367 9.842 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.990 8.933 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.465 9.358 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.839 7.655 -5.353 1.00 0.00 H new ATOM 584 N GLU A 37 5.171 7.861 -8.226 1.00 0.00 N ATOM 585 CA GLU A 37 5.817 6.948 -9.223 1.00 0.00 C ATOM 586 C GLU A 37 7.001 6.214 -8.589 1.00 0.00 C ATOM 587 O GLU A 37 7.634 5.393 -9.222 1.00 0.00 O ATOM 588 CB GLU A 37 6.316 7.761 -10.421 1.00 0.00 C ATOM 589 CG GLU A 37 5.415 8.980 -10.631 1.00 0.00 C ATOM 590 CD GLU A 37 5.781 10.070 -9.621 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.962 10.245 -9.370 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.873 10.711 -9.117 1.00 0.00 O ATOM 0 H GLU A 37 5.812 8.454 -7.699 1.00 0.00 H new ATOM 0 HA GLU A 37 5.078 6.217 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.344 8.082 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.319 7.141 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.529 9.358 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.369 8.697 -10.512 1.00 0.00 H new ATOM 599 N ASP A 38 7.312 6.486 -7.350 1.00 0.00 N ATOM 600 CA ASP A 38 8.458 5.778 -6.715 1.00 0.00 C ATOM 601 C ASP A 38 8.564 6.181 -5.245 1.00 0.00 C ATOM 602 O ASP A 38 7.761 6.938 -4.737 1.00 0.00 O ATOM 603 CB ASP A 38 9.763 6.136 -7.433 1.00 0.00 C ATOM 604 CG ASP A 38 9.581 7.428 -8.234 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.865 8.294 -7.767 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.167 7.526 -9.301 1.00 0.00 O ATOM 0 H ASP A 38 6.828 7.160 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 38 8.290 4.704 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.566 6.259 -6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.057 5.324 -8.098 1.00 0.00 H new ATOM 611 N GLY A 39 9.550 5.676 -4.561 1.00 0.00 N ATOM 612 CA GLY A 39 9.713 6.020 -3.124 1.00 0.00 C ATOM 613 C GLY A 39 10.078 7.493 -2.980 1.00 0.00 C ATOM 614 O GLY A 39 9.651 8.148 -2.058 1.00 0.00 O ATOM 0 H GLY A 39 10.252 5.038 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.789 5.811 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.490 5.399 -2.678 1.00 0.00 H new ATOM 618 N VAL A 40 10.859 8.024 -3.881 1.00 0.00 N ATOM 619 CA VAL A 40 11.237 9.461 -3.770 1.00 0.00 C ATOM 620 C VAL A 40 9.984 10.326 -3.882 1.00 0.00 C ATOM 621 O VAL A 40 9.774 11.241 -3.105 1.00 0.00 O ATOM 622 CB VAL A 40 12.221 9.830 -4.883 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.499 9.823 -6.231 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.791 11.228 -4.617 1.00 0.00 C ATOM 0 H VAL A 40 11.249 7.529 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 40 11.713 9.634 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 40 13.032 9.102 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.202 10.086 -7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.094 8.829 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.686 10.549 -6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.492 11.492 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.978 11.954 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.309 11.233 -3.658 1.00 0.00 H new ATOM 634 N ASP A 41 9.139 10.038 -4.832 1.00 0.00 N ATOM 635 CA ASP A 41 7.898 10.839 -4.977 1.00 0.00 C ATOM 636 C ASP A 41 7.011 10.574 -3.774 1.00 0.00 C ATOM 637 O ASP A 41 6.409 11.470 -3.217 1.00 0.00 O ATOM 638 CB ASP A 41 7.162 10.415 -6.243 1.00 0.00 C ATOM 639 CG ASP A 41 6.157 11.499 -6.637 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.280 11.785 -5.839 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.283 12.026 -7.731 1.00 0.00 O ATOM 0 H ASP A 41 9.255 9.285 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 41 8.145 11.899 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.873 10.252 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.646 9.469 -6.077 1.00 0.00 H new ATOM 646 N ALA A 42 6.930 9.341 -3.367 1.00 0.00 N ATOM 647 CA ALA A 42 6.084 9.011 -2.199 1.00 0.00 C ATOM 648 C ALA A 42 6.750 9.535 -0.924 1.00 0.00 C ATOM 649 O ALA A 42 6.094 9.768 0.060 1.00 0.00 O ATOM 650 CB ALA A 42 5.903 7.501 -2.105 1.00 0.00 C ATOM 0 H ALA A 42 7.413 8.551 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 42 5.107 9.479 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.279 7.262 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.423 7.135 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.877 7.024 -1.991 1.00 0.00 H new ATOM 656 N LEU A 43 8.042 9.739 -0.928 1.00 0.00 N ATOM 657 CA LEU A 43 8.705 10.268 0.305 1.00 0.00 C ATOM 658 C LEU A 43 8.219 11.696 0.535 1.00 0.00 C ATOM 659 O LEU A 43 7.949 12.106 1.646 1.00 0.00 O ATOM 660 CB LEU A 43 10.231 10.288 0.130 1.00 0.00 C ATOM 661 CG LEU A 43 10.909 9.444 1.217 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.564 10.007 2.598 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.430 7.992 1.122 1.00 0.00 C ATOM 0 H LEU A 43 8.661 9.565 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 43 8.456 9.628 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.495 9.903 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.595 11.314 0.179 1.00 0.00 H new ATOM 0 HG LEU A 43 11.989 9.477 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.047 9.405 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.915 11.037 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.484 9.981 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.915 7.398 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.349 7.956 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.684 7.588 0.142 1.00 0.00 H new ATOM 675 N ASN A 44 8.113 12.455 -0.519 1.00 0.00 N ATOM 676 CA ASN A 44 7.650 13.864 -0.386 1.00 0.00 C ATOM 677 C ASN A 44 6.147 13.897 -0.087 1.00 0.00 C ATOM 678 O ASN A 44 5.645 14.828 0.511 1.00 0.00 O ATOM 679 CB ASN A 44 7.915 14.596 -1.701 1.00 0.00 C ATOM 680 CG ASN A 44 9.308 15.231 -1.665 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.500 16.270 -1.067 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.295 14.644 -2.287 1.00 0.00 N ATOM 0 H ASN A 44 8.328 12.159 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 44 8.187 14.346 0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.843 13.900 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.158 15.364 -1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.227 15.058 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.134 13.771 -2.789 1.00 0.00 H new ATOM 689 N LYS A 45 5.422 12.901 -0.517 1.00 0.00 N ATOM 690 CA LYS A 45 3.948 12.892 -0.277 1.00 0.00 C ATOM 691 C LYS A 45 3.617 12.206 1.059 1.00 0.00 C ATOM 692 O LYS A 45 2.724 12.618 1.768 1.00 0.00 O ATOM 693 CB LYS A 45 3.256 12.146 -1.422 1.00 0.00 C ATOM 694 CG LYS A 45 3.212 13.041 -2.663 1.00 0.00 C ATOM 695 CD LYS A 45 1.915 13.852 -2.663 1.00 0.00 C ATOM 696 CE LYS A 45 2.004 14.958 -3.715 1.00 0.00 C ATOM 697 NZ LYS A 45 3.185 15.821 -3.431 1.00 0.00 N ATOM 0 H LYS A 45 5.784 12.093 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 45 3.593 13.922 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.792 11.223 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.245 11.864 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.072 13.711 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.273 12.433 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.067 13.201 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.745 14.286 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.090 14.522 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.093 15.556 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.989 16.793 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.378 15.820 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.014 15.453 -3.940 1.00 0.00 H new ATOM 711 N LEU A 46 4.317 11.162 1.408 1.00 0.00 N ATOM 712 CA LEU A 46 4.019 10.464 2.697 1.00 0.00 C ATOM 713 C LEU A 46 3.956 11.490 3.833 1.00 0.00 C ATOM 714 O LEU A 46 3.341 11.257 4.856 1.00 0.00 O ATOM 715 CB LEU A 46 5.123 9.439 3.005 1.00 0.00 C ATOM 716 CG LEU A 46 4.612 7.999 2.809 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.584 7.656 3.887 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.959 7.834 1.431 1.00 0.00 C ATOM 0 H LEU A 46 5.079 10.761 0.862 1.00 0.00 H new ATOM 0 HA LEU A 46 3.061 9.951 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.980 9.616 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.469 9.569 4.030 1.00 0.00 H new ATOM 0 HG LEU A 46 5.467 7.327 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.229 6.636 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.046 7.741 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.743 8.346 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.606 6.809 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.116 8.520 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.690 8.055 0.653 1.00 0.00 H new ATOM 730 N GLN A 47 4.593 12.621 3.666 1.00 0.00 N ATOM 731 CA GLN A 47 4.578 13.659 4.741 1.00 0.00 C ATOM 732 C GLN A 47 3.497 14.703 4.448 1.00 0.00 C ATOM 733 O GLN A 47 3.151 15.500 5.298 1.00 0.00 O ATOM 734 CB GLN A 47 5.943 14.348 4.801 1.00 0.00 C ATOM 735 CG GLN A 47 6.128 14.995 6.174 1.00 0.00 C ATOM 736 CD GLN A 47 6.657 13.954 7.164 1.00 0.00 C ATOM 737 OE1 GLN A 47 6.429 12.773 6.998 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.356 14.346 8.192 1.00 0.00 N ATOM 0 H GLN A 47 5.123 12.871 2.831 1.00 0.00 H new ATOM 0 HA GLN A 47 4.363 13.180 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.736 13.623 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.016 15.103 4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.824 15.831 6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.180 15.399 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.547 15.338 8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.712 13.660 8.858 1.00 0.00 H new ATOM 747 N ALA A 48 2.973 14.709 3.250 1.00 0.00 N ATOM 748 CA ALA A 48 1.920 15.701 2.882 1.00 0.00 C ATOM 749 C ALA A 48 0.933 15.878 4.038 1.00 0.00 C ATOM 750 O ALA A 48 0.798 16.954 4.586 1.00 0.00 O ATOM 751 CB ALA A 48 1.164 15.207 1.647 1.00 0.00 C ATOM 0 H ALA A 48 3.232 14.063 2.504 1.00 0.00 H new ATOM 0 HA ALA A 48 2.396 16.658 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.395 15.931 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.860 15.091 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.698 14.246 1.866 1.00 0.00 H new ATOM 757 N GLY A 49 0.242 14.832 4.411 1.00 0.00 N ATOM 758 CA GLY A 49 -0.738 14.945 5.533 1.00 0.00 C ATOM 759 C GLY A 49 -0.675 13.686 6.397 1.00 0.00 C ATOM 760 O GLY A 49 -1.438 13.524 7.327 1.00 0.00 O ATOM 0 H GLY A 49 0.313 13.906 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.515 15.824 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.745 15.077 5.138 1.00 0.00 H new ATOM 764 N GLY A 50 0.223 12.790 6.094 1.00 0.00 N ATOM 765 CA GLY A 50 0.325 11.541 6.899 1.00 0.00 C ATOM 766 C GLY A 50 -0.694 10.537 6.375 1.00 0.00 C ATOM 767 O GLY A 50 -1.740 10.331 6.959 1.00 0.00 O ATOM 0 H GLY A 50 0.889 12.868 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.332 11.128 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.139 11.754 7.952 1.00 0.00 H new ATOM 771 N TYR A 51 -0.402 9.920 5.269 1.00 0.00 N ATOM 772 CA TYR A 51 -1.352 8.939 4.692 1.00 0.00 C ATOM 773 C TYR A 51 -1.641 7.838 5.697 1.00 0.00 C ATOM 774 O TYR A 51 -0.745 7.259 6.275 1.00 0.00 O ATOM 775 CB TYR A 51 -0.744 8.325 3.438 1.00 0.00 C ATOM 776 CG TYR A 51 -0.887 9.302 2.309 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.019 10.356 2.193 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.931 9.164 1.391 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.115 11.276 1.154 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.069 10.088 0.352 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.156 11.145 0.235 1.00 0.00 C ATOM 782 OH TYR A 51 -1.283 12.066 -0.778 1.00 0.00 O ATOM 0 H TYR A 51 0.458 10.054 4.738 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.282 9.450 4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.307 8.090 3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.246 7.389 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.823 10.459 2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.629 8.345 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.588 12.091 1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.876 9.988 -0.358 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.399 12.415 -1.015 1.00 0.00 H new ATOM 792 N GLY A 52 -2.888 7.534 5.896 1.00 0.00 N ATOM 793 CA GLY A 52 -3.236 6.455 6.847 1.00 0.00 C ATOM 794 C GLY A 52 -3.123 5.118 6.125 1.00 0.00 C ATOM 795 O GLY A 52 -3.443 4.082 6.666 1.00 0.00 O ATOM 0 H GLY A 52 -3.680 7.987 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.567 6.478 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.248 6.596 7.226 1.00 0.00 H new ATOM 799 N PHE A 53 -2.689 5.130 4.889 1.00 0.00 N ATOM 800 CA PHE A 53 -2.582 3.851 4.143 1.00 0.00 C ATOM 801 C PHE A 53 -1.788 4.057 2.846 1.00 0.00 C ATOM 802 O PHE A 53 -1.860 5.098 2.220 1.00 0.00 O ATOM 803 CB PHE A 53 -3.989 3.398 3.800 1.00 0.00 C ATOM 804 CG PHE A 53 -4.128 1.910 3.976 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.729 1.048 2.955 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.689 1.397 5.148 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.884 -0.328 3.106 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.850 0.021 5.299 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.448 -0.847 4.279 1.00 0.00 C ATOM 0 H PHE A 53 -2.408 5.964 4.373 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.067 3.106 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.708 3.913 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.223 3.671 2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.300 1.447 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.998 2.067 5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.569 -0.996 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.286 -0.375 6.204 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.572 -1.914 4.395 1.00 0.00 H new ATOM 819 N VAL A 54 -1.039 3.069 2.429 1.00 0.00 N ATOM 820 CA VAL A 54 -0.256 3.216 1.162 1.00 0.00 C ATOM 821 C VAL A 54 -0.218 1.880 0.415 1.00 0.00 C ATOM 822 O VAL A 54 0.266 0.885 0.923 1.00 0.00 O ATOM 823 CB VAL A 54 1.180 3.645 1.477 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.927 3.985 0.185 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.174 4.868 2.397 1.00 0.00 C ATOM 0 H VAL A 54 -0.935 2.173 2.905 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.738 3.973 0.543 1.00 0.00 H new ATOM 0 HB VAL A 54 1.686 2.819 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.946 4.288 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.951 3.109 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.416 4.800 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.200 5.165 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.655 5.691 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.663 4.621 3.327 1.00 0.00 H new ATOM 835 N ILE A 55 -0.702 1.865 -0.796 1.00 0.00 N ATOM 836 CA ILE A 55 -0.680 0.618 -1.612 1.00 0.00 C ATOM 837 C ILE A 55 0.400 0.789 -2.687 1.00 0.00 C ATOM 838 O ILE A 55 0.212 1.512 -3.651 1.00 0.00 O ATOM 839 CB ILE A 55 -2.041 0.421 -2.287 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.156 0.532 -1.241 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.087 -0.965 -2.928 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.521 0.463 -1.931 1.00 0.00 C ATOM 0 H ILE A 55 -1.117 2.673 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.470 -0.248 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.183 1.187 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.065 -0.273 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.062 1.470 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.054 -1.111 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.294 -1.048 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.946 -1.726 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.311 0.542 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.611 1.284 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.614 -0.486 -2.458 1.00 0.00 H new ATOM 854 N SER A 56 1.537 0.160 -2.517 1.00 0.00 N ATOM 855 CA SER A 56 2.641 0.312 -3.515 1.00 0.00 C ATOM 856 C SER A 56 2.910 -1.021 -4.217 1.00 0.00 C ATOM 857 O SER A 56 2.542 -2.076 -3.738 1.00 0.00 O ATOM 858 CB SER A 56 3.909 0.770 -2.793 1.00 0.00 C ATOM 859 OG SER A 56 4.250 -0.182 -1.793 1.00 0.00 O ATOM 0 H SER A 56 1.748 -0.453 -1.729 1.00 0.00 H new ATOM 0 HA SER A 56 2.348 1.050 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.728 0.877 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.750 1.749 -2.341 1.00 0.00 H new ATOM 0 HG SER A 56 5.063 0.108 -1.329 1.00 0.00 H new ATOM 865 N ASP A 57 3.556 -0.974 -5.351 1.00 0.00 N ATOM 866 CA ASP A 57 3.863 -2.228 -6.097 1.00 0.00 C ATOM 867 C ASP A 57 5.214 -2.775 -5.628 1.00 0.00 C ATOM 868 O ASP A 57 5.349 -3.233 -4.510 1.00 0.00 O ATOM 869 CB ASP A 57 3.917 -1.934 -7.601 1.00 0.00 C ATOM 870 CG ASP A 57 4.889 -0.783 -7.878 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.960 0.122 -7.063 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.548 -0.827 -8.903 1.00 0.00 O ATOM 0 H ASP A 57 3.886 -0.117 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 57 3.085 -2.967 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.233 -2.826 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.922 -1.676 -7.965 1.00 0.00 H new ATOM 877 N TRP A 58 6.216 -2.731 -6.469 1.00 0.00 N ATOM 878 CA TRP A 58 7.556 -3.243 -6.065 1.00 0.00 C ATOM 879 C TRP A 58 8.651 -2.336 -6.633 1.00 0.00 C ATOM 880 O TRP A 58 8.380 -1.382 -7.336 1.00 0.00 O ATOM 881 CB TRP A 58 7.752 -4.665 -6.597 1.00 0.00 C ATOM 882 CG TRP A 58 9.076 -5.169 -6.130 1.00 0.00 C ATOM 883 CD1 TRP A 58 10.181 -5.300 -6.901 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.456 -5.597 -4.793 1.00 0.00 C ATOM 885 NE1 TRP A 58 11.217 -5.778 -6.117 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.819 -5.978 -4.810 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.756 -5.690 -3.578 1.00 0.00 C ATOM 888 CZ2 TRP A 58 11.463 -6.433 -3.659 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.401 -6.148 -2.420 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.751 -6.518 -2.462 1.00 0.00 C ATOM 0 H TRP A 58 6.162 -2.362 -7.418 1.00 0.00 H new ATOM 0 HA TRP A 58 7.618 -3.251 -4.977 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.953 -5.315 -6.242 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.707 -4.671 -7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.244 -5.070 -7.954 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.159 -5.960 -6.463 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.715 -5.407 -3.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.504 -6.717 -3.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.854 -6.216 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.242 -6.870 -1.567 1.00 0.00 H new ATOM 901 N ASN A 59 9.888 -2.628 -6.328 1.00 0.00 N ATOM 902 CA ASN A 59 11.007 -1.787 -6.840 1.00 0.00 C ATOM 903 C ASN A 59 11.266 -2.114 -8.316 1.00 0.00 C ATOM 904 O ASN A 59 12.229 -2.773 -8.659 1.00 0.00 O ATOM 905 CB ASN A 59 12.273 -2.070 -6.020 1.00 0.00 C ATOM 906 CG ASN A 59 11.894 -2.314 -4.557 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.439 -1.582 -3.625 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 11.097 -3.181 -4.261 1.00 0.00 N flip ATOM 0 H ASN A 59 10.171 -3.415 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 59 10.741 -0.734 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.792 -2.941 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.961 -1.228 -6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.671 -3.753 -4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.853 -3.337 -3.283 1.00 0.00 H new ATOM 915 N MET A 60 10.421 -1.654 -9.196 1.00 0.00 N ATOM 916 CA MET A 60 10.636 -1.940 -10.640 1.00 0.00 C ATOM 917 C MET A 60 11.577 -0.889 -11.261 1.00 0.00 C ATOM 918 O MET A 60 12.531 -1.257 -11.918 1.00 0.00 O ATOM 919 CB MET A 60 9.297 -1.960 -11.385 1.00 0.00 C ATOM 920 CG MET A 60 9.056 -3.357 -11.960 1.00 0.00 C ATOM 921 SD MET A 60 7.515 -3.360 -12.910 1.00 0.00 S ATOM 922 CE MET A 60 6.396 -3.702 -11.530 1.00 0.00 C ATOM 0 H MET A 60 9.596 -1.096 -8.979 1.00 0.00 H new ATOM 0 HA MET A 60 11.101 -2.922 -10.733 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.487 -1.689 -10.707 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.303 -1.221 -12.186 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.890 -3.648 -12.599 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.001 -4.089 -11.154 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.370 -3.748 -11.896 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.661 -4.656 -11.074 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.481 -2.909 -10.787 1.00 0.00 H new ATOM 932 N PRO A 61 11.307 0.388 -11.050 1.00 0.00 N ATOM 933 CA PRO A 61 12.166 1.447 -11.613 1.00 0.00 C ATOM 934 C PRO A 61 13.551 1.389 -10.964 1.00 0.00 C ATOM 935 O PRO A 61 14.561 1.289 -11.631 1.00 0.00 O ATOM 936 CB PRO A 61 11.467 2.764 -11.249 1.00 0.00 C ATOM 937 CG PRO A 61 10.188 2.413 -10.450 1.00 0.00 C ATOM 938 CD PRO A 61 10.157 0.888 -10.262 1.00 0.00 C ATOM 0 HA PRO A 61 12.303 1.341 -12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.127 3.396 -10.655 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.214 3.324 -12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.191 2.917 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.299 2.751 -10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.250 0.617 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.218 0.464 -10.619 1.00 0.00 H new ATOM 946 N ASN A 62 13.599 1.452 -9.662 1.00 0.00 N ATOM 947 CA ASN A 62 14.906 1.404 -8.951 1.00 0.00 C ATOM 948 C ASN A 62 14.650 1.307 -7.444 1.00 0.00 C ATOM 949 O ASN A 62 13.566 0.967 -7.015 1.00 0.00 O ATOM 950 CB ASN A 62 15.699 2.677 -9.259 1.00 0.00 C ATOM 951 CG ASN A 62 14.776 3.893 -9.156 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.451 4.333 -8.071 1.00 0.00 O ATOM 953 ND2 ASN A 62 14.338 4.459 -10.247 1.00 0.00 N ATOM 0 H ASN A 62 12.782 1.535 -9.056 1.00 0.00 H new ATOM 0 HA ASN A 62 15.477 0.537 -9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.530 2.778 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.129 2.617 -10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.723 5.271 -10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.611 4.090 -11.158 1.00 0.00 H new ATOM 960 N MET A 63 15.633 1.605 -6.637 1.00 0.00 N ATOM 961 CA MET A 63 15.430 1.529 -5.162 1.00 0.00 C ATOM 962 C MET A 63 14.123 2.237 -4.796 1.00 0.00 C ATOM 963 O MET A 63 14.079 3.442 -4.644 1.00 0.00 O ATOM 964 CB MET A 63 16.602 2.211 -4.451 1.00 0.00 C ATOM 965 CG MET A 63 17.916 1.792 -5.113 1.00 0.00 C ATOM 966 SD MET A 63 18.491 3.117 -6.203 1.00 0.00 S ATOM 967 CE MET A 63 19.920 2.241 -6.885 1.00 0.00 C ATOM 0 H MET A 63 16.564 1.897 -6.934 1.00 0.00 H new ATOM 0 HA MET A 63 15.378 0.486 -4.851 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.489 3.294 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.610 1.936 -3.396 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.668 1.580 -4.352 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.772 0.874 -5.683 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.435 2.885 -7.598 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.602 1.974 -6.078 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.584 1.336 -7.391 1.00 0.00 H new ATOM 977 N ASP A 64 13.053 1.498 -4.660 1.00 0.00 N ATOM 978 CA ASP A 64 11.748 2.130 -4.314 1.00 0.00 C ATOM 979 C ASP A 64 10.763 1.052 -3.849 1.00 0.00 C ATOM 980 O ASP A 64 10.678 -0.010 -4.428 1.00 0.00 O ATOM 981 CB ASP A 64 11.190 2.834 -5.553 1.00 0.00 C ATOM 982 CG ASP A 64 9.673 2.643 -5.616 1.00 0.00 C ATOM 983 OD1 ASP A 64 8.979 3.329 -4.884 1.00 0.00 O ATOM 984 OD2 ASP A 64 9.232 1.816 -6.397 1.00 0.00 O ATOM 0 H ASP A 64 13.028 0.485 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 64 11.891 2.855 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.431 3.896 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.655 2.430 -6.453 1.00 0.00 H new ATOM 989 N GLY A 65 10.023 1.319 -2.802 1.00 0.00 N ATOM 990 CA GLY A 65 9.046 0.309 -2.291 1.00 0.00 C ATOM 991 C GLY A 65 9.621 -0.357 -1.040 1.00 0.00 C ATOM 992 O GLY A 65 8.985 -0.400 -0.005 1.00 0.00 O ATOM 0 H GLY A 65 10.053 2.194 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.096 0.790 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.845 -0.440 -3.057 1.00 0.00 H new ATOM 996 N LEU A 66 10.832 -0.835 -1.101 1.00 0.00 N ATOM 997 CA LEU A 66 11.429 -1.437 0.120 1.00 0.00 C ATOM 998 C LEU A 66 12.051 -0.301 0.924 1.00 0.00 C ATOM 999 O LEU A 66 11.832 -0.174 2.113 1.00 0.00 O ATOM 1000 CB LEU A 66 12.496 -2.468 -0.248 1.00 0.00 C ATOM 1001 CG LEU A 66 12.663 -3.445 0.921 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.673 -4.603 0.775 1.00 0.00 C ATOM 1003 CD2 LEU A 66 14.089 -3.997 0.932 1.00 0.00 C ATOM 0 H LEU A 66 11.426 -0.835 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 66 10.664 -1.953 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.206 -3.006 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.442 -1.972 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 66 12.469 -2.918 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.796 -5.294 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.655 -4.213 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.862 -5.127 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.204 -4.691 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.285 -4.518 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.796 -3.175 1.044 1.00 0.00 H new ATOM 1015 N GLU A 67 12.790 0.558 0.272 1.00 0.00 N ATOM 1016 CA GLU A 67 13.379 1.717 0.990 1.00 0.00 C ATOM 1017 C GLU A 67 12.214 2.567 1.491 1.00 0.00 C ATOM 1018 O GLU A 67 12.338 3.352 2.409 1.00 0.00 O ATOM 1019 CB GLU A 67 14.247 2.534 0.030 1.00 0.00 C ATOM 1020 CG GLU A 67 15.713 2.445 0.459 1.00 0.00 C ATOM 1021 CD GLU A 67 15.908 3.208 1.770 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.749 4.417 1.758 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.212 2.569 2.764 1.00 0.00 O ATOM 0 H GLU A 67 13.008 0.504 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 67 14.006 1.389 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.132 2.160 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.922 3.574 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.003 1.402 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.356 2.862 -0.316 1.00 0.00 H new ATOM 1030 N LEU A 68 11.070 2.382 0.888 1.00 0.00 N ATOM 1031 CA LEU A 68 9.855 3.130 1.306 1.00 0.00 C ATOM 1032 C LEU A 68 9.455 2.628 2.691 1.00 0.00 C ATOM 1033 O LEU A 68 9.449 3.355 3.664 1.00 0.00 O ATOM 1034 CB LEU A 68 8.728 2.822 0.314 1.00 0.00 C ATOM 1035 CG LEU A 68 8.554 3.953 -0.680 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.714 3.461 -1.869 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.835 5.110 -0.001 1.00 0.00 C ATOM 0 H LEU A 68 10.927 1.735 0.113 1.00 0.00 H new ATOM 0 HA LEU A 68 10.042 4.204 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.950 1.897 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.796 2.663 0.856 1.00 0.00 H new ATOM 0 HG LEU A 68 9.530 4.284 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.587 4.273 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.221 2.626 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.737 3.135 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.707 5.926 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.858 4.777 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.424 5.457 0.848 1.00 0.00 H new ATOM 1049 N LEU A 69 9.140 1.367 2.772 1.00 0.00 N ATOM 1050 CA LEU A 69 8.754 0.752 4.073 1.00 0.00 C ATOM 1051 C LEU A 69 9.741 1.195 5.153 1.00 0.00 C ATOM 1052 O LEU A 69 9.384 1.869 6.094 1.00 0.00 O ATOM 1053 CB LEU A 69 8.840 -0.762 3.912 1.00 0.00 C ATOM 1054 CG LEU A 69 7.568 -1.451 4.403 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.633 -2.946 4.055 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.425 -1.312 5.925 1.00 0.00 C ATOM 0 H LEU A 69 9.133 0.725 1.979 1.00 0.00 H new ATOM 0 HA LEU A 69 7.747 1.056 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.007 -1.008 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.698 -1.140 4.469 1.00 0.00 H new ATOM 0 HG LEU A 69 6.713 -0.979 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.727 -3.441 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.718 -3.065 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.501 -3.395 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.512 -1.810 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.284 -1.771 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.377 -0.256 6.191 1.00 0.00 H new ATOM 1068 N LYS A 70 10.982 0.802 5.020 1.00 0.00 N ATOM 1069 CA LYS A 70 12.015 1.175 6.032 1.00 0.00 C ATOM 1070 C LYS A 70 11.840 2.637 6.452 1.00 0.00 C ATOM 1071 O LYS A 70 11.807 2.951 7.624 1.00 0.00 O ATOM 1072 CB LYS A 70 13.407 0.985 5.427 1.00 0.00 C ATOM 1073 CG LYS A 70 14.189 -0.042 6.250 1.00 0.00 C ATOM 1074 CD LYS A 70 15.535 -0.322 5.575 1.00 0.00 C ATOM 1075 CE LYS A 70 15.436 -1.608 4.751 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.548 -2.788 5.654 1.00 0.00 N ATOM 0 H LYS A 70 11.326 0.233 4.246 1.00 0.00 H new ATOM 0 HA LYS A 70 11.901 0.538 6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.323 0.649 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.940 1.935 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.348 0.332 7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.616 -0.965 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.812 0.514 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.318 -0.419 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.488 -1.636 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.227 -1.634 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.600 -3.657 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.407 -2.702 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.715 -2.830 6.275 1.00 0.00 H new ATOM 1090 N THR A 71 11.732 3.535 5.512 1.00 0.00 N ATOM 1091 CA THR A 71 11.560 4.970 5.876 1.00 0.00 C ATOM 1092 C THR A 71 10.230 5.148 6.609 1.00 0.00 C ATOM 1093 O THR A 71 10.097 5.977 7.487 1.00 0.00 O ATOM 1094 CB THR A 71 11.569 5.826 4.607 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.076 5.059 3.517 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.998 6.279 4.307 1.00 0.00 C ATOM 0 H THR A 71 11.755 3.339 4.511 1.00 0.00 H new ATOM 0 HA THR A 71 12.378 5.284 6.525 1.00 0.00 H new ATOM 0 HB THR A 71 10.935 6.700 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.207 4.673 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.004 6.889 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.377 6.866 5.144 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.633 5.406 4.160 1.00 0.00 H new ATOM 1104 N ILE A 72 9.246 4.369 6.256 1.00 0.00 N ATOM 1105 CA ILE A 72 7.921 4.481 6.931 1.00 0.00 C ATOM 1106 C ILE A 72 8.013 3.857 8.326 1.00 0.00 C ATOM 1107 O ILE A 72 7.341 4.274 9.249 1.00 0.00 O ATOM 1108 CB ILE A 72 6.874 3.733 6.099 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.742 4.409 4.724 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.526 3.774 6.821 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.195 3.423 3.676 1.00 0.00 C ATOM 0 H ILE A 72 9.302 3.657 5.527 1.00 0.00 H new ATOM 0 HA ILE A 72 7.635 5.529 7.022 1.00 0.00 H new ATOM 0 HB ILE A 72 7.182 2.696 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.078 5.270 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.714 4.784 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.780 3.242 6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.622 3.299 7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.214 4.810 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.111 3.926 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.874 2.575 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.212 3.069 3.987 1.00 0.00 H new ATOM 1123 N ARG A 73 8.842 2.862 8.483 1.00 0.00 N ATOM 1124 CA ARG A 73 8.989 2.204 9.812 1.00 0.00 C ATOM 1125 C ARG A 73 10.091 2.907 10.607 1.00 0.00 C ATOM 1126 O ARG A 73 10.163 2.802 11.816 1.00 0.00 O ATOM 1127 CB ARG A 73 9.366 0.734 9.607 1.00 0.00 C ATOM 1128 CG ARG A 73 8.413 -0.161 10.403 1.00 0.00 C ATOM 1129 CD ARG A 73 8.554 0.127 11.901 1.00 0.00 C ATOM 1130 NE ARG A 73 8.351 -1.135 12.668 1.00 0.00 N ATOM 1131 CZ ARG A 73 9.358 -1.937 12.885 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.484 -1.460 13.342 1.00 0.00 N ATOM 1133 NH2 ARG A 73 9.239 -3.214 12.647 1.00 0.00 N ATOM 0 H ARG A 73 9.427 2.474 7.743 1.00 0.00 H new ATOM 0 HA ARG A 73 8.049 2.268 10.360 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.318 0.481 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.393 0.564 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.385 0.015 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.633 -1.210 10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.541 0.539 12.112 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.823 0.875 12.209 1.00 0.00 H new ATOM 0 HE ARG A 73 7.425 -1.372 13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.576 -0.462 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.271 -2.086 13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.359 -3.587 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.026 -3.840 12.817 1.00 0.00 H new ATOM 1147 N ALA A 74 10.954 3.620 9.937 1.00 0.00 N ATOM 1148 CA ALA A 74 12.054 4.327 10.652 1.00 0.00 C ATOM 1149 C ALA A 74 11.475 5.094 11.840 1.00 0.00 C ATOM 1150 O ALA A 74 12.126 5.286 12.847 1.00 0.00 O ATOM 1151 CB ALA A 74 12.739 5.305 9.696 1.00 0.00 C ATOM 0 H ALA A 74 10.945 3.744 8.925 1.00 0.00 H new ATOM 0 HA ALA A 74 12.784 3.600 11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.543 5.822 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.151 4.757 8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.012 6.034 9.338 1.00 0.00 H new ATOM 1157 N ASP A 75 10.252 5.531 11.729 1.00 0.00 N ATOM 1158 CA ASP A 75 9.626 6.283 12.850 1.00 0.00 C ATOM 1159 C ASP A 75 9.485 5.359 14.062 1.00 0.00 C ATOM 1160 O ASP A 75 8.577 4.554 14.138 1.00 0.00 O ATOM 1161 CB ASP A 75 8.245 6.781 12.418 1.00 0.00 C ATOM 1162 CG ASP A 75 7.782 7.887 13.367 1.00 0.00 C ATOM 1163 OD1 ASP A 75 7.823 7.666 14.566 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.395 8.935 12.879 1.00 0.00 O ATOM 0 H ASP A 75 9.659 5.400 10.910 1.00 0.00 H new ATOM 0 HA ASP A 75 10.251 7.136 13.115 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.286 7.158 11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.531 5.958 12.426 1.00 0.00 H new ATOM 1169 N GLY A 76 10.377 5.465 15.008 1.00 0.00 N ATOM 1170 CA GLY A 76 10.296 4.589 16.212 1.00 0.00 C ATOM 1171 C GLY A 76 9.201 5.101 17.148 1.00 0.00 C ATOM 1172 O GLY A 76 9.394 5.213 18.342 1.00 0.00 O ATOM 0 H GLY A 76 11.159 6.120 15.000 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.082 3.563 15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.255 4.577 16.730 1.00 0.00 H new ATOM 1176 N ALA A 77 8.050 5.411 16.617 1.00 0.00 N ATOM 1177 CA ALA A 77 6.943 5.914 17.478 1.00 0.00 C ATOM 1178 C ALA A 77 5.603 5.601 16.812 1.00 0.00 C ATOM 1179 O ALA A 77 4.597 5.430 17.472 1.00 0.00 O ATOM 1180 CB ALA A 77 7.084 7.426 17.658 1.00 0.00 C ATOM 0 H ALA A 77 7.829 5.338 15.624 1.00 0.00 H new ATOM 0 HA ALA A 77 6.988 5.428 18.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.274 7.795 18.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.041 7.649 18.130 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.037 7.914 16.685 1.00 0.00 H new ATOM 1186 N MET A 78 5.585 5.522 15.509 1.00 0.00 N ATOM 1187 CA MET A 78 4.314 5.219 14.793 1.00 0.00 C ATOM 1188 C MET A 78 4.252 3.725 14.476 1.00 0.00 C ATOM 1189 O MET A 78 3.478 2.989 15.054 1.00 0.00 O ATOM 1190 CB MET A 78 4.261 6.019 13.490 1.00 0.00 C ATOM 1191 CG MET A 78 4.261 7.516 13.809 1.00 0.00 C ATOM 1192 SD MET A 78 2.852 8.306 12.993 1.00 0.00 S ATOM 1193 CE MET A 78 3.792 9.552 12.078 1.00 0.00 C ATOM 0 H MET A 78 6.399 5.655 14.908 1.00 0.00 H new ATOM 0 HA MET A 78 3.467 5.492 15.423 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.117 5.770 12.863 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.366 5.757 12.926 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.204 7.669 14.887 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.192 7.971 13.472 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.108 10.166 11.492 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.337 10.184 12.779 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.498 9.058 11.411 1.00 0.00 H new ATOM 1203 N SER A 79 5.060 3.275 13.559 1.00 0.00 N ATOM 1204 CA SER A 79 5.047 1.829 13.199 1.00 0.00 C ATOM 1205 C SER A 79 3.602 1.378 12.986 1.00 0.00 C ATOM 1206 O SER A 79 3.305 0.199 12.974 1.00 0.00 O ATOM 1207 CB SER A 79 5.673 1.013 14.331 1.00 0.00 C ATOM 1208 OG SER A 79 6.392 1.883 15.195 1.00 0.00 O ATOM 0 H SER A 79 5.730 3.845 13.042 1.00 0.00 H new ATOM 0 HA SER A 79 5.619 1.675 12.284 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.897 0.488 14.888 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.341 0.255 13.922 1.00 0.00 H new ATOM 0 HG SER A 79 6.793 1.363 15.923 1.00 0.00 H new ATOM 1214 N ALA A 80 2.702 2.313 12.821 1.00 0.00 N ATOM 1215 CA ALA A 80 1.270 1.959 12.614 1.00 0.00 C ATOM 1216 C ALA A 80 0.897 2.154 11.143 1.00 0.00 C ATOM 1217 O ALA A 80 0.160 1.369 10.585 1.00 0.00 O ATOM 1218 CB ALA A 80 0.394 2.863 13.483 1.00 0.00 C ATOM 0 H ALA A 80 2.902 3.313 12.821 1.00 0.00 H new ATOM 0 HA ALA A 80 1.112 0.917 12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.655 2.606 13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.656 2.724 14.532 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.556 3.904 13.204 1.00 0.00 H new ATOM 1224 N LEU A 81 1.404 3.202 10.531 1.00 0.00 N ATOM 1225 CA LEU A 81 1.098 3.495 9.090 1.00 0.00 C ATOM 1226 C LEU A 81 0.896 2.177 8.305 1.00 0.00 C ATOM 1227 O LEU A 81 1.861 1.555 7.909 1.00 0.00 O ATOM 1228 CB LEU A 81 2.276 4.280 8.486 1.00 0.00 C ATOM 1229 CG LEU A 81 1.755 5.470 7.665 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.758 4.976 6.612 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.065 6.484 8.588 1.00 0.00 C ATOM 0 H LEU A 81 2.026 3.877 10.976 1.00 0.00 H new ATOM 0 HA LEU A 81 0.182 4.082 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.931 4.636 9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.872 3.624 7.852 1.00 0.00 H new ATOM 0 HG LEU A 81 2.597 5.953 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.391 5.823 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.252 4.268 5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.080 4.485 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.699 7.324 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.227 6.004 9.094 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.778 6.845 9.329 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.347 1.756 8.118 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.627 0.496 7.404 1.00 0.00 C ATOM 1245 C PRO A 82 -0.216 0.567 5.925 1.00 0.00 C ATOM 1246 O PRO A 82 -0.920 1.112 5.092 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.144 0.301 7.515 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.717 1.496 8.312 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.559 2.463 8.593 1.00 0.00 C ATOM 0 HA PRO A 82 -0.060 -0.328 7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.596 0.250 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.373 -0.639 8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.503 1.994 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.166 1.154 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.697 3.408 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.489 2.697 9.655 1.00 0.00 H new ATOM 1257 N VAL A 83 0.898 -0.025 5.593 1.00 0.00 N ATOM 1258 CA VAL A 83 1.346 -0.058 4.171 1.00 0.00 C ATOM 1259 C VAL A 83 1.159 -1.470 3.663 1.00 0.00 C ATOM 1260 O VAL A 83 1.818 -2.374 4.127 1.00 0.00 O ATOM 1261 CB VAL A 83 2.844 0.259 4.059 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.428 -0.410 2.793 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.076 1.761 3.982 1.00 0.00 C ATOM 0 H VAL A 83 1.523 -0.491 6.251 1.00 0.00 H new ATOM 0 HA VAL A 83 0.772 0.675 3.604 1.00 0.00 H new ATOM 0 HB VAL A 83 3.341 -0.129 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.491 -0.182 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.292 -1.490 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.913 -0.031 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.145 1.961 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.566 2.163 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.683 2.236 4.881 1.00 0.00 H new ATOM 1273 N LEU A 84 0.315 -1.675 2.702 1.00 0.00 N ATOM 1274 CA LEU A 84 0.176 -3.050 2.172 1.00 0.00 C ATOM 1275 C LEU A 84 0.892 -3.085 0.841 1.00 0.00 C ATOM 1276 O LEU A 84 0.436 -2.538 -0.144 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.306 -3.425 2.014 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.519 -4.913 1.604 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.333 -5.832 1.958 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.747 -5.453 2.333 1.00 0.00 C ATOM 0 H LEU A 84 -0.275 -0.966 2.267 1.00 0.00 H new ATOM 0 HA LEU A 84 0.611 -3.776 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.825 -3.235 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.760 -2.779 1.263 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.633 -4.919 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.555 -6.851 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.564 -5.481 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.168 -5.814 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.907 -6.495 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.590 -5.385 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.622 -4.865 2.056 1.00 0.00 H new ATOM 1292 N MET A 85 2.028 -3.713 0.809 1.00 0.00 N ATOM 1293 CA MET A 85 2.782 -3.762 -0.456 1.00 0.00 C ATOM 1294 C MET A 85 1.983 -4.609 -1.445 1.00 0.00 C ATOM 1295 O MET A 85 1.119 -5.367 -1.051 1.00 0.00 O ATOM 1296 CB MET A 85 4.158 -4.384 -0.210 1.00 0.00 C ATOM 1297 CG MET A 85 4.922 -4.481 -1.532 1.00 0.00 C ATOM 1298 SD MET A 85 6.697 -4.590 -1.192 1.00 0.00 S ATOM 1299 CE MET A 85 7.133 -2.911 -1.710 1.00 0.00 C ATOM 0 H MET A 85 2.461 -4.190 1.600 1.00 0.00 H new ATOM 0 HA MET A 85 2.928 -2.759 -0.858 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.719 -3.779 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.047 -5.375 0.231 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.593 -5.357 -2.092 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.712 -3.609 -2.151 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.106 -2.644 -1.298 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.175 -2.865 -2.798 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.381 -2.211 -1.346 1.00 0.00 H new ATOM 1309 N VAL A 86 2.242 -4.479 -2.718 1.00 0.00 N ATOM 1310 CA VAL A 86 1.466 -5.273 -3.719 1.00 0.00 C ATOM 1311 C VAL A 86 2.400 -5.823 -4.793 1.00 0.00 C ATOM 1312 O VAL A 86 3.356 -5.183 -5.185 1.00 0.00 O ATOM 1313 CB VAL A 86 0.429 -4.359 -4.371 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.529 -5.185 -5.228 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.359 -3.632 -3.280 1.00 0.00 C ATOM 0 H VAL A 86 2.953 -3.861 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 86 0.975 -6.107 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 86 0.937 -3.632 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.265 -4.526 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.033 -5.702 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.039 -5.917 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.100 -2.979 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.863 -4.362 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.323 -3.036 -2.674 1.00 0.00 H new ATOM 1325 N THR A 87 2.133 -7.008 -5.277 1.00 0.00 N ATOM 1326 CA THR A 87 3.022 -7.580 -6.332 1.00 0.00 C ATOM 1327 C THR A 87 2.232 -8.513 -7.253 1.00 0.00 C ATOM 1328 O THR A 87 1.194 -9.029 -6.895 1.00 0.00 O ATOM 1329 CB THR A 87 4.158 -8.364 -5.672 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.002 -8.904 -6.679 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.575 -9.498 -4.831 1.00 0.00 C ATOM 0 H THR A 87 1.350 -7.597 -4.993 1.00 0.00 H new ATOM 0 HA THR A 87 3.430 -6.762 -6.925 1.00 0.00 H new ATOM 0 HB THR A 87 4.735 -7.699 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.732 -9.406 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.385 -10.056 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.926 -9.083 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.998 -10.166 -5.471 1.00 0.00 H new ATOM 1339 N ALA A 88 2.734 -8.744 -8.437 1.00 0.00 N ATOM 1340 CA ALA A 88 2.034 -9.657 -9.384 1.00 0.00 C ATOM 1341 C ALA A 88 2.618 -11.062 -9.226 1.00 0.00 C ATOM 1342 O ALA A 88 2.083 -11.891 -8.518 1.00 0.00 O ATOM 1343 CB ALA A 88 2.242 -9.171 -10.820 1.00 0.00 C ATOM 0 H ALA A 88 3.601 -8.338 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 88 0.966 -9.670 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.728 -9.842 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.839 -8.164 -10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.307 -9.161 -11.050 1.00 0.00 H new ATOM 1349 N GLU A 89 3.727 -11.331 -9.863 1.00 0.00 N ATOM 1350 CA GLU A 89 4.352 -12.677 -9.725 1.00 0.00 C ATOM 1351 C GLU A 89 5.072 -12.738 -8.378 1.00 0.00 C ATOM 1352 O GLU A 89 6.285 -12.763 -8.310 1.00 0.00 O ATOM 1353 CB GLU A 89 5.358 -12.898 -10.857 1.00 0.00 C ATOM 1354 CG GLU A 89 6.467 -11.848 -10.770 1.00 0.00 C ATOM 1355 CD GLU A 89 6.704 -11.241 -12.154 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.865 -12.002 -13.093 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.720 -10.025 -12.250 1.00 0.00 O ATOM 0 H GLU A 89 4.224 -10.679 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 89 3.587 -13.452 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.785 -13.899 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.855 -12.832 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.189 -11.068 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.385 -12.303 -10.399 1.00 0.00 H new ATOM 1364 N ALA A 90 4.326 -12.741 -7.306 1.00 0.00 N ATOM 1365 CA ALA A 90 4.945 -12.774 -5.950 1.00 0.00 C ATOM 1366 C ALA A 90 6.106 -13.770 -5.911 1.00 0.00 C ATOM 1367 O ALA A 90 5.950 -14.941 -6.196 1.00 0.00 O ATOM 1368 CB ALA A 90 3.891 -13.180 -4.916 1.00 0.00 C ATOM 0 H ALA A 90 3.306 -12.722 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 90 5.328 -11.780 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.344 -13.204 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.075 -12.457 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.502 -14.168 -5.161 1.00 0.00 H new ATOM 1374 N LYS A 91 7.270 -13.304 -5.536 1.00 0.00 N ATOM 1375 CA LYS A 91 8.456 -14.202 -5.448 1.00 0.00 C ATOM 1376 C LYS A 91 8.680 -14.576 -3.980 1.00 0.00 C ATOM 1377 O LYS A 91 9.017 -13.739 -3.167 1.00 0.00 O ATOM 1378 CB LYS A 91 9.688 -13.466 -5.980 1.00 0.00 C ATOM 1379 CG LYS A 91 10.024 -13.965 -7.387 1.00 0.00 C ATOM 1380 CD LYS A 91 11.276 -13.246 -7.896 1.00 0.00 C ATOM 1381 CE LYS A 91 11.104 -12.901 -9.377 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.393 -12.382 -9.917 1.00 0.00 N ATOM 0 H LYS A 91 7.449 -12.332 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 91 8.289 -15.102 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.501 -12.392 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.536 -13.629 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.190 -15.042 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.186 -13.781 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.446 -12.338 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.152 -13.880 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.793 -13.785 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.319 -12.155 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.278 -12.147 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.671 -11.529 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.130 -13.108 -9.813 1.00 0.00 H new ATOM 1396 N LYS A 92 8.488 -15.820 -3.634 1.00 0.00 N ATOM 1397 CA LYS A 92 8.679 -16.244 -2.214 1.00 0.00 C ATOM 1398 C LYS A 92 9.957 -15.622 -1.643 1.00 0.00 C ATOM 1399 O LYS A 92 10.086 -15.439 -0.449 1.00 0.00 O ATOM 1400 CB LYS A 92 8.785 -17.768 -2.147 1.00 0.00 C ATOM 1401 CG LYS A 92 7.648 -18.395 -2.954 1.00 0.00 C ATOM 1402 CD LYS A 92 7.605 -19.902 -2.693 1.00 0.00 C ATOM 1403 CE LYS A 92 6.912 -20.603 -3.861 1.00 0.00 C ATOM 1404 NZ LYS A 92 5.846 -19.717 -4.411 1.00 0.00 N ATOM 0 H LYS A 92 8.207 -16.563 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 92 7.825 -15.906 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.748 -18.094 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.736 -18.101 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.697 -17.940 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.794 -18.204 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.616 -20.290 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.071 -20.106 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.638 -20.842 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.480 -21.546 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.130 -20.295 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.398 -19.190 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.266 -19.047 -5.087 1.00 0.00 H new ATOM 1418 N GLU A 93 10.906 -15.308 -2.481 1.00 0.00 N ATOM 1419 CA GLU A 93 12.170 -14.714 -1.981 1.00 0.00 C ATOM 1420 C GLU A 93 11.983 -13.219 -1.706 1.00 0.00 C ATOM 1421 O GLU A 93 12.524 -12.682 -0.760 1.00 0.00 O ATOM 1422 CB GLU A 93 13.271 -14.902 -3.028 1.00 0.00 C ATOM 1423 CG GLU A 93 13.184 -16.311 -3.615 1.00 0.00 C ATOM 1424 CD GLU A 93 14.560 -16.738 -4.126 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.429 -16.972 -3.302 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.723 -16.821 -5.332 1.00 0.00 O ATOM 0 H GLU A 93 10.857 -15.439 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 93 12.451 -15.213 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.165 -14.160 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.249 -14.746 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.833 -17.011 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.459 -16.333 -4.429 1.00 0.00 H new ATOM 1433 N ASN A 94 11.235 -12.537 -2.532 1.00 0.00 N ATOM 1434 CA ASN A 94 11.031 -11.079 -2.323 1.00 0.00 C ATOM 1435 C ASN A 94 9.806 -10.832 -1.436 1.00 0.00 C ATOM 1436 O ASN A 94 9.560 -9.724 -1.002 1.00 0.00 O ATOM 1437 CB ASN A 94 10.821 -10.407 -3.678 1.00 0.00 C ATOM 1438 CG ASN A 94 12.160 -10.315 -4.414 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.483 -11.164 -5.220 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.959 -9.313 -4.166 1.00 0.00 N ATOM 0 H ASN A 94 10.757 -12.930 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 94 11.909 -10.662 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.106 -10.976 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.400 -9.411 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.855 -9.243 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.688 -8.600 -3.489 1.00 0.00 H new ATOM 1447 N ILE A 95 9.032 -11.846 -1.165 1.00 0.00 N ATOM 1448 CA ILE A 95 7.827 -11.645 -0.308 1.00 0.00 C ATOM 1449 C ILE A 95 8.283 -11.475 1.139 1.00 0.00 C ATOM 1450 O ILE A 95 7.627 -10.836 1.937 1.00 0.00 O ATOM 1451 CB ILE A 95 6.889 -12.864 -0.441 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.764 -12.563 -1.443 1.00 0.00 C ATOM 1453 CG2 ILE A 95 6.253 -13.208 0.912 1.00 0.00 C ATOM 1454 CD1 ILE A 95 6.335 -12.438 -2.856 1.00 0.00 C ATOM 0 H ILE A 95 9.179 -12.799 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 95 7.281 -10.755 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 95 7.486 -13.706 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.018 -13.357 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.257 -11.639 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.596 -14.070 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.036 -13.443 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.675 -12.356 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.528 -12.225 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.063 -11.628 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.821 -13.373 -3.136 1.00 0.00 H new ATOM 1466 N ILE A 96 9.407 -12.037 1.479 1.00 0.00 N ATOM 1467 CA ILE A 96 9.912 -11.902 2.870 1.00 0.00 C ATOM 1468 C ILE A 96 10.732 -10.620 2.976 1.00 0.00 C ATOM 1469 O ILE A 96 11.121 -10.212 4.048 1.00 0.00 O ATOM 1470 CB ILE A 96 10.794 -13.104 3.214 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.950 -14.380 3.189 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.394 -12.917 4.610 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.805 -15.548 2.693 1.00 0.00 C ATOM 0 H ILE A 96 9.998 -12.584 0.853 1.00 0.00 H new ATOM 0 HA ILE A 96 9.073 -11.863 3.565 1.00 0.00 H new ATOM 0 HB ILE A 96 11.598 -13.185 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.566 -14.594 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.087 -14.245 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.022 -13.774 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.996 -12.009 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.591 -12.835 5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.204 -16.457 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.167 -15.333 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.654 -15.687 3.362 1.00 0.00 H new ATOM 1485 N ALA A 97 10.997 -9.983 1.867 1.00 0.00 N ATOM 1486 CA ALA A 97 11.791 -8.724 1.903 1.00 0.00 C ATOM 1487 C ALA A 97 10.918 -7.591 2.444 1.00 0.00 C ATOM 1488 O ALA A 97 11.277 -6.913 3.385 1.00 0.00 O ATOM 1489 CB ALA A 97 12.273 -8.385 0.493 1.00 0.00 C ATOM 0 H ALA A 97 10.697 -10.281 0.939 1.00 0.00 H new ATOM 0 HA ALA A 97 12.656 -8.852 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.854 -7.463 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.896 -9.196 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.413 -8.253 -0.164 1.00 0.00 H new ATOM 1495 N ALA A 98 9.766 -7.386 1.873 1.00 0.00 N ATOM 1496 CA ALA A 98 8.879 -6.307 2.391 1.00 0.00 C ATOM 1497 C ALA A 98 8.460 -6.680 3.801 1.00 0.00 C ATOM 1498 O ALA A 98 8.538 -5.889 4.718 1.00 0.00 O ATOM 1499 CB ALA A 98 7.623 -6.177 1.532 1.00 0.00 C ATOM 0 H ALA A 98 9.402 -7.912 1.078 1.00 0.00 H new ATOM 0 HA ALA A 98 9.418 -5.360 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.991 -5.383 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.906 -5.936 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.074 -7.119 1.545 1.00 0.00 H new ATOM 1505 N ALA A 99 8.015 -7.890 3.981 1.00 0.00 N ATOM 1506 CA ALA A 99 7.595 -8.314 5.326 1.00 0.00 C ATOM 1507 C ALA A 99 8.815 -8.280 6.247 1.00 0.00 C ATOM 1508 O ALA A 99 8.706 -7.998 7.422 1.00 0.00 O ATOM 1509 CB ALA A 99 7.030 -9.731 5.271 1.00 0.00 C ATOM 0 H ALA A 99 7.927 -8.597 3.251 1.00 0.00 H new ATOM 0 HA ALA A 99 6.822 -7.644 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.721 -10.039 6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.170 -9.754 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.795 -10.414 4.902 1.00 0.00 H new ATOM 1515 N GLN A 100 9.993 -8.538 5.725 1.00 0.00 N ATOM 1516 CA GLN A 100 11.193 -8.462 6.602 1.00 0.00 C ATOM 1517 C GLN A 100 11.220 -7.036 7.127 1.00 0.00 C ATOM 1518 O GLN A 100 11.581 -6.772 8.257 1.00 0.00 O ATOM 1519 CB GLN A 100 12.471 -8.763 5.813 1.00 0.00 C ATOM 1520 CG GLN A 100 13.664 -8.076 6.485 1.00 0.00 C ATOM 1521 CD GLN A 100 14.963 -8.793 6.105 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.993 -10.097 6.077 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 15.963 -8.156 5.835 1.00 0.00 N flip ATOM 0 H GLN A 100 10.168 -8.792 4.753 1.00 0.00 H new ATOM 0 HA GLN A 100 11.144 -9.195 7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.637 -9.839 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.368 -8.412 4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.713 -7.031 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.537 -8.085 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.940 -7.137 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.825 -8.641 5.587 1.00 0.00 H new ATOM 1532 N ALA A 101 10.758 -6.123 6.315 1.00 0.00 N ATOM 1533 CA ALA A 101 10.658 -4.713 6.759 1.00 0.00 C ATOM 1534 C ALA A 101 9.404 -4.680 7.626 1.00 0.00 C ATOM 1535 O ALA A 101 9.254 -3.888 8.536 1.00 0.00 O ATOM 1536 CB ALA A 101 10.517 -3.792 5.542 1.00 0.00 C ATOM 0 H ALA A 101 10.446 -6.299 5.360 1.00 0.00 H new ATOM 0 HA ALA A 101 11.538 -4.371 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.444 -2.757 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.389 -3.905 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.618 -4.058 4.986 1.00 0.00 H new ATOM 1542 N GLY A 102 8.542 -5.627 7.360 1.00 0.00 N ATOM 1543 CA GLY A 102 7.300 -5.816 8.144 1.00 0.00 C ATOM 1544 C GLY A 102 6.341 -4.648 8.042 1.00 0.00 C ATOM 1545 O GLY A 102 6.175 -3.905 8.989 1.00 0.00 O ATOM 0 H GLY A 102 8.660 -6.298 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.797 -6.720 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.560 -5.973 9.191 1.00 0.00 H new ATOM 1549 N ALA A 103 5.663 -4.480 6.937 1.00 0.00 N ATOM 1550 CA ALA A 103 4.702 -3.354 6.903 1.00 0.00 C ATOM 1551 C ALA A 103 3.341 -3.830 7.386 1.00 0.00 C ATOM 1552 O ALA A 103 3.161 -4.246 8.512 1.00 0.00 O ATOM 1553 CB ALA A 103 4.523 -2.963 5.451 1.00 0.00 C ATOM 0 H ALA A 103 5.731 -5.049 6.093 1.00 0.00 H new ATOM 0 HA ALA A 103 5.068 -2.536 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.820 -2.133 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.484 -2.660 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.137 -3.814 4.890 1.00 0.00 H new ATOM 1559 N SER A 104 2.415 -3.857 6.482 1.00 0.00 N ATOM 1560 CA SER A 104 1.063 -4.405 6.782 1.00 0.00 C ATOM 1561 C SER A 104 1.072 -5.878 6.416 1.00 0.00 C ATOM 1562 O SER A 104 0.674 -6.748 7.164 1.00 0.00 O ATOM 1563 CB SER A 104 -0.018 -3.677 5.988 1.00 0.00 C ATOM 1564 OG SER A 104 0.266 -2.288 5.977 1.00 0.00 O ATOM 0 H SER A 104 2.535 -3.517 5.528 1.00 0.00 H new ATOM 0 HA SER A 104 0.837 -4.267 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.057 -4.060 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.996 -3.857 6.434 1.00 0.00 H new ATOM 0 HG SER A 104 1.181 -2.144 5.657 1.00 0.00 H new ATOM 1570 N GLY A 105 1.518 -6.122 5.211 1.00 0.00 N ATOM 1571 CA GLY A 105 1.571 -7.499 4.656 1.00 0.00 C ATOM 1572 C GLY A 105 1.874 -7.419 3.158 1.00 0.00 C ATOM 1573 O GLY A 105 2.298 -6.390 2.652 1.00 0.00 O ATOM 0 H GLY A 105 1.856 -5.400 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.339 -8.081 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.622 -8.009 4.822 1.00 0.00 H new ATOM 1577 N TYR A 106 1.647 -8.493 2.445 1.00 0.00 N ATOM 1578 CA TYR A 106 1.895 -8.500 0.974 1.00 0.00 C ATOM 1579 C TYR A 106 0.691 -9.130 0.283 1.00 0.00 C ATOM 1580 O TYR A 106 0.338 -10.262 0.546 1.00 0.00 O ATOM 1581 CB TYR A 106 3.156 -9.314 0.645 1.00 0.00 C ATOM 1582 CG TYR A 106 2.807 -10.478 -0.271 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.460 -10.254 -1.616 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.832 -11.787 0.228 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.141 -11.336 -2.442 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.515 -12.865 -0.605 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.168 -12.639 -1.938 1.00 0.00 C ATOM 1588 OH TYR A 106 1.854 -13.704 -2.759 1.00 0.00 O ATOM 0 H TYR A 106 1.297 -9.373 2.824 1.00 0.00 H new ATOM 0 HA TYR A 106 2.043 -7.477 0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.896 -8.674 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.606 -9.688 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.440 -9.248 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 106 3.097 -11.964 1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.873 -11.164 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.539 -13.872 -0.217 1.00 0.00 H new ATOM 0 HH TYR A 106 1.923 -14.540 -2.252 1.00 0.00 H new ATOM 1598 N VAL A 107 0.068 -8.406 -0.605 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.110 -8.952 -1.334 1.00 0.00 C ATOM 1600 C VAL A 107 -0.750 -9.107 -2.808 1.00 0.00 C ATOM 1601 O VAL A 107 -0.363 -8.161 -3.468 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.289 -7.985 -1.201 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.986 -6.709 -1.984 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.558 -8.639 -1.761 1.00 0.00 C ATOM 0 H VAL A 107 0.327 -7.452 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.387 -9.919 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.443 -7.742 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.824 -6.018 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.085 -6.243 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.833 -6.955 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.396 -7.948 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.408 -8.883 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.774 -9.551 -1.204 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.882 -10.286 -3.340 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.560 -10.468 -4.774 1.00 0.00 C ATOM 1616 C VAL A 108 -1.558 -9.632 -5.579 1.00 0.00 C ATOM 1617 O VAL A 108 -2.377 -8.944 -5.016 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.685 -11.948 -5.148 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -2.129 -12.412 -4.943 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.297 -12.145 -6.616 1.00 0.00 C ATOM 0 H VAL A 108 -1.196 -11.123 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 108 0.460 -10.149 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.019 -12.533 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.214 -13.465 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.409 -12.279 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.794 -11.823 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.387 -13.199 -6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.960 -11.556 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.733 -11.821 -6.767 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.511 -9.676 -6.877 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.481 -8.868 -7.671 1.00 0.00 C ATOM 1632 C LYS A 109 -2.665 -9.534 -9.046 1.00 0.00 C ATOM 1633 O LYS A 109 -1.794 -10.262 -9.481 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.924 -7.436 -7.820 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.522 -7.135 -9.274 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.889 -5.743 -9.347 1.00 0.00 C ATOM 1637 CE LYS A 109 0.489 -5.846 -10.004 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.041 -4.478 -10.217 1.00 0.00 N ATOM 0 H LYS A 109 -0.851 -10.230 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.450 -8.817 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.675 -6.717 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.059 -7.312 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.818 -7.886 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.397 -7.184 -9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.528 -5.070 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.797 -5.320 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.162 -6.427 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.412 -6.371 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.562 -4.450 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.262 -3.790 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.685 -4.238 -9.436 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.759 -9.249 -9.721 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.846 -8.368 -9.228 1.00 0.00 C ATOM 1654 C PRO A 110 -5.708 -9.107 -8.193 1.00 0.00 C ATOM 1655 O PRO A 110 -6.064 -10.254 -8.383 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.704 -8.089 -10.469 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.088 -8.876 -11.655 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.964 -9.752 -11.088 1.00 0.00 C ATOM 0 HA PRO A 110 -4.455 -7.467 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.735 -8.399 -10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.724 -7.021 -10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.845 -9.490 -12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.699 -8.192 -12.409 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.245 -10.805 -11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.055 -9.666 -11.683 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.063 -8.460 -7.114 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.920 -9.132 -6.091 1.00 0.00 C ATOM 1668 C PHE A 111 -8.372 -8.747 -6.325 1.00 0.00 C ATOM 1669 O PHE A 111 -8.671 -7.756 -6.963 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.532 -8.674 -4.676 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.140 -7.217 -4.709 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.095 -6.227 -4.989 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.811 -6.860 -4.501 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.706 -4.889 -5.058 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.420 -5.524 -4.578 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.367 -4.536 -4.862 1.00 0.00 C ATOM 0 H PHE A 111 -5.798 -7.499 -6.897 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.781 -10.209 -6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.368 -8.821 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.704 -9.276 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.127 -6.500 -5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.079 -7.622 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.440 -4.124 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.387 -5.253 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.065 -3.501 -4.930 1.00 0.00 H new ATOM 1686 N THR A 112 -9.273 -9.494 -5.773 1.00 0.00 N ATOM 1687 CA THR A 112 -10.707 -9.141 -5.906 1.00 0.00 C ATOM 1688 C THR A 112 -11.062 -8.294 -4.686 1.00 0.00 C ATOM 1689 O THR A 112 -10.533 -8.503 -3.614 1.00 0.00 O ATOM 1690 CB THR A 112 -11.564 -10.408 -5.928 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.752 -11.518 -6.283 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.689 -10.242 -6.949 1.00 0.00 C ATOM 0 H THR A 112 -9.080 -10.338 -5.233 1.00 0.00 H new ATOM 0 HA THR A 112 -10.892 -8.598 -6.833 1.00 0.00 H new ATOM 0 HB THR A 112 -11.996 -10.578 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.298 -12.332 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.301 -11.144 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.308 -9.389 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.261 -10.075 -7.938 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.920 -7.330 -4.831 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.261 -6.478 -3.656 1.00 0.00 C ATOM 1702 C ALA A 113 -12.544 -7.362 -2.451 1.00 0.00 C ATOM 1703 O ALA A 113 -12.241 -7.003 -1.332 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.484 -5.618 -3.972 1.00 0.00 C ATOM 0 H ALA A 113 -12.398 -7.093 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.419 -5.823 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.726 -4.999 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.268 -4.979 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.331 -6.262 -4.206 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.096 -8.521 -2.660 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.356 -9.418 -1.506 1.00 0.00 C ATOM 1712 C ALA A 114 -12.015 -9.967 -1.027 1.00 0.00 C ATOM 1713 O ALA A 114 -11.810 -10.202 0.147 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.270 -10.569 -1.929 1.00 0.00 C ATOM 0 H ALA A 114 -13.376 -8.883 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.850 -8.868 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.454 -11.220 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.217 -10.168 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.791 -11.140 -2.724 1.00 0.00 H new ATOM 1720 N THR A 115 -11.093 -10.153 -1.931 1.00 0.00 N ATOM 1721 CA THR A 115 -9.758 -10.663 -1.529 1.00 0.00 C ATOM 1722 C THR A 115 -9.019 -9.554 -0.782 1.00 0.00 C ATOM 1723 O THR A 115 -8.738 -9.690 0.393 1.00 0.00 O ATOM 1724 CB THR A 115 -8.965 -11.080 -2.764 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.503 -12.288 -3.286 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.499 -11.292 -2.386 1.00 0.00 C ATOM 0 H THR A 115 -11.209 -9.973 -2.928 1.00 0.00 H new ATOM 0 HA THR A 115 -9.872 -11.533 -0.883 1.00 0.00 H new ATOM 0 HB THR A 115 -9.032 -10.297 -3.519 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.859 -12.126 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.935 -11.590 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.088 -10.364 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.428 -12.074 -1.630 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.699 -8.446 -1.426 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.992 -7.372 -0.680 1.00 0.00 C ATOM 1736 C LEU A 116 -8.744 -7.118 0.633 1.00 0.00 C ATOM 1737 O LEU A 116 -8.145 -6.924 1.669 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.966 -6.073 -1.506 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.548 -5.464 -1.569 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.654 -4.012 -2.026 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.869 -5.471 -0.197 1.00 0.00 C ATOM 0 H LEU A 116 -8.895 -8.252 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.966 -7.682 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.319 -6.277 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.654 -5.349 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.957 -6.064 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.658 -3.572 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.115 -3.974 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.265 -3.451 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.874 -5.035 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.463 -4.887 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.786 -6.497 0.163 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.058 -7.124 0.605 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.823 -6.887 1.852 1.00 0.00 C ATOM 1755 C GLU A 117 -10.476 -7.959 2.885 1.00 0.00 C ATOM 1756 O GLU A 117 -10.038 -7.663 3.979 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.313 -6.950 1.539 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.766 -5.625 0.920 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.069 -5.835 0.147 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.801 -6.749 0.493 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.314 -5.078 -0.777 1.00 0.00 O ATOM 0 H GLU A 117 -10.623 -7.283 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.568 -5.907 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.516 -7.772 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.878 -7.149 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.912 -4.879 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.994 -5.242 0.253 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.677 -9.203 2.545 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.370 -10.308 3.500 1.00 0.00 C ATOM 1770 C GLU A 118 -9.012 -10.048 4.159 1.00 0.00 C ATOM 1771 O GLU A 118 -8.763 -10.453 5.277 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.324 -11.638 2.743 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.445 -12.798 3.732 1.00 0.00 C ATOM 1774 CD GLU A 118 -9.458 -13.901 3.346 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -8.266 -13.674 3.476 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -9.910 -14.954 2.930 1.00 0.00 O ATOM 0 H GLU A 118 -11.043 -9.504 1.642 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.144 -10.353 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.134 -11.682 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.391 -11.718 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.240 -12.450 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.463 -13.188 3.729 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.136 -9.366 3.477 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.802 -9.064 4.069 1.00 0.00 C ATOM 1785 C LYS A 119 -6.886 -7.732 4.816 1.00 0.00 C ATOM 1786 O LYS A 119 -6.290 -7.547 5.861 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.755 -8.954 2.956 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.301 -10.351 2.524 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.923 -10.650 3.120 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.859 -9.792 2.427 1.00 0.00 C ATOM 1791 NZ LYS A 119 -1.935 -10.671 1.658 1.00 0.00 N ATOM 0 H LYS A 119 -8.285 -9.004 2.535 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.515 -9.862 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.173 -8.419 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.899 -8.377 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.022 -11.098 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.259 -10.411 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.928 -10.445 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.686 -11.707 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.334 -9.074 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.301 -9.218 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.039 -10.170 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.750 -11.539 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.370 -10.919 0.746 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.623 -6.803 4.276 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.757 -5.470 4.922 1.00 0.00 C ATOM 1807 C LEU A 120 -8.515 -5.607 6.246 1.00 0.00 C ATOM 1808 O LEU A 120 -8.044 -5.201 7.289 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.530 -4.537 3.984 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.251 -3.078 4.362 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.187 -2.494 3.433 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.532 -2.240 4.242 1.00 0.00 C ATOM 0 H LEU A 120 -8.143 -6.912 3.406 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.767 -5.060 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.234 -4.718 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.598 -4.742 4.051 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.897 -3.051 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.994 -1.457 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.267 -3.071 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.540 -2.537 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.317 -1.206 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.896 -2.277 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.293 -2.641 4.912 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.692 -6.168 6.210 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.485 -6.323 7.460 1.00 0.00 C ATOM 1826 C ASN A 121 -9.607 -6.915 8.566 1.00 0.00 C ATOM 1827 O ASN A 121 -9.496 -6.371 9.647 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.683 -7.243 7.185 1.00 0.00 C ATOM 1829 CG ASN A 121 -11.260 -8.709 7.228 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -10.532 -9.192 6.265 1.00 0.00 O flip ATOM 1831 ND2 ASN A 121 -11.596 -9.423 8.152 1.00 0.00 N flip ATOM 0 H ASN A 121 -10.139 -6.526 5.366 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.845 -5.348 7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.463 -7.063 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.109 -7.011 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.167 -9.044 8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.307 -10.401 8.172 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.993 -8.028 8.302 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.127 -8.678 9.326 1.00 0.00 C ATOM 1840 C LYS A 122 -7.089 -7.684 9.849 1.00 0.00 C ATOM 1841 O LYS A 122 -6.754 -7.679 11.016 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.401 -9.867 8.695 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.994 -11.173 9.221 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.311 -12.353 8.527 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.946 -13.663 8.993 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.592 -14.750 8.038 1.00 0.00 N ATOM 0 H LYS A 122 -9.052 -8.523 7.412 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.752 -9.015 10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.492 -9.826 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.337 -9.820 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.855 -11.241 10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.068 -11.199 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.406 -12.256 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.245 -12.353 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.595 -13.914 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.029 -13.554 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.023 -15.643 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.947 -14.509 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.558 -14.858 8.003 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.563 -6.856 8.994 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.532 -5.879 9.447 1.00 0.00 C ATOM 1862 C ILE A 123 -6.164 -4.811 10.343 1.00 0.00 C ATOM 1863 O ILE A 123 -5.590 -4.408 11.334 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.897 -5.205 8.232 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.856 -6.144 7.616 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.216 -3.907 8.672 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.583 -5.731 6.168 1.00 0.00 C ATOM 0 H ILE A 123 -6.800 -6.811 8.003 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.771 -6.414 10.015 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.667 -4.981 7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.933 -6.109 8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.215 -7.173 7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.762 -3.423 7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.956 -3.240 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.445 -4.132 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.842 -6.401 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.507 -5.789 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.205 -4.709 6.146 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.327 -4.329 9.998 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.960 -3.272 10.832 1.00 0.00 C ATOM 1881 C PHE A 124 -8.481 -3.861 12.141 1.00 0.00 C ATOM 1882 O PHE A 124 -8.898 -3.142 13.027 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.099 -2.615 10.054 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.513 -1.544 9.167 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.917 -0.411 9.737 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.537 -1.694 7.778 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.344 0.567 8.917 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.968 -0.712 6.961 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.373 0.410 7.528 1.00 0.00 C ATOM 0 H PHE A 124 -7.862 -4.620 9.180 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.211 -2.518 11.073 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.627 -3.357 9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.827 -2.183 10.740 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.900 -0.293 10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.994 -2.567 7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.881 1.439 9.355 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.991 -0.825 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.931 1.163 6.893 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.443 -5.154 12.295 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.916 -5.748 13.571 1.00 0.00 C ATOM 1901 C GLU A 125 -7.858 -5.468 14.636 1.00 0.00 C ATOM 1902 O GLU A 125 -8.122 -5.504 15.822 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.106 -7.256 13.406 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.494 -7.538 12.824 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.507 -7.687 13.960 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -11.737 -6.710 14.654 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.037 -8.774 14.117 1.00 0.00 O ATOM 0 H GLU A 125 -8.108 -5.819 11.598 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.872 -5.314 13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.336 -7.660 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.996 -7.754 14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.793 -6.726 12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.470 -8.447 12.224 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.663 -5.167 14.206 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.572 -4.855 15.166 1.00 0.00 C ATOM 1916 C LYS A 126 -5.462 -3.335 15.291 1.00 0.00 C ATOM 1917 O LYS A 126 -5.048 -2.809 16.305 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.251 -5.421 14.639 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.794 -6.575 15.535 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.473 -7.142 15.008 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.303 -6.400 15.659 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.185 -6.815 17.085 1.00 0.00 N ATOM 0 H LYS A 126 -6.396 -5.124 13.222 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.787 -5.298 16.138 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.376 -5.770 13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.491 -4.640 14.619 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.668 -6.225 16.560 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.554 -7.356 15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.409 -8.208 15.228 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.426 -7.037 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.377 -6.620 15.127 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.460 -5.323 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.203 -6.690 17.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.815 -6.230 17.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.455 -7.815 17.179 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.841 -2.626 14.259 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.774 -1.139 14.307 1.00 0.00 C ATOM 1938 C LEU A 127 -7.069 -0.601 14.921 1.00 0.00 C ATOM 1939 O LEU A 127 -7.096 0.470 15.494 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.612 -0.583 12.883 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.375 0.320 12.802 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.501 1.465 13.810 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.119 -0.499 13.109 1.00 0.00 C ATOM 0 H LEU A 127 -6.194 -3.015 13.385 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.922 -0.829 14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.518 -1.405 12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.501 -0.019 12.602 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.300 0.734 11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.619 2.103 13.748 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.391 2.052 13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.583 1.056 14.817 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.241 0.145 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.195 -0.919 14.112 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.025 -1.307 12.383 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.143 -1.341 14.809 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.438 -0.878 15.389 1.00 0.00 C ATOM 1957 C GLY A 128 -9.662 0.597 15.046 1.00 0.00 C ATOM 1958 O GLY A 128 -9.348 1.478 15.821 1.00 0.00 O ATOM 0 H GLY A 128 -8.178 -2.246 14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.258 -1.480 14.998 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.431 -1.012 16.471 1.00 0.00 H new ATOM 1962 N MET A 129 -10.203 0.873 13.891 1.00 0.00 N ATOM 1963 CA MET A 129 -10.445 2.292 13.504 1.00 0.00 C ATOM 1964 C MET A 129 -11.863 2.699 13.913 1.00 0.00 C ATOM 1965 O MET A 129 -12.191 3.864 13.760 1.00 0.00 O ATOM 1966 CB MET A 129 -10.290 2.443 11.989 1.00 0.00 C ATOM 1967 CG MET A 129 -9.218 3.491 11.686 1.00 0.00 C ATOM 1968 SD MET A 129 -9.718 5.083 12.387 1.00 0.00 S ATOM 1969 CE MET A 129 -9.178 6.120 11.006 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.595 1.839 14.374 1.00 0.00 O ATOM 0 H MET A 129 -10.487 0.179 13.200 1.00 0.00 H new ATOM 0 HA MET A 129 -9.722 2.933 14.009 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.014 1.487 11.544 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.240 2.740 11.544 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.261 3.181 12.106 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.078 3.583 10.609 1.00 0.00 H new ATOM 0 HE1 MET A 129 -9.395 7.165 11.229 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.106 5.996 10.855 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.708 5.825 10.100 1.00 0.00 H new