USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 919 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 105 GLN : amide:sc= -1.84 K(o=-3.2,f=-4.6) USER MOD Set 1.2: A 106 GLN : amide:sc= -1.36 K(o=-3.2,f=-1.8) USER MOD Set 2.1: A 93 ASN : amide:sc= -2.64! K(o=-2.4!,f=-5) USER MOD Set 2.2: A 95 THR OG1 : rot 82:sc= 0.192 USER MOD Set 3.1: A 59 MET CE :methyl 139:sc= -3.2! (180deg=-0.994) USER MOD Set 3.2: A 90 SER OG : rot 180:sc= -0.639 USER MOD Set 4.1: A 55 SER OG : rot 180:sc= -0.902 USER MOD Set 4.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 51 THR OG1 : rot 96:sc= 0.737 USER MOD Set 5.2: A 97 MET CE :methyl 150:sc= -2.59 (180deg=-5.64!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 4 SER OG : rot 0:sc= 0.476 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= 0.0536 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 87:sc= 0.00121 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.218 (180deg=-0.649) USER MOD Single : A 38 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -29:sc= 0.0573 USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -0.0676 (180deg=-0.941) USER MOD Single : A 49 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 54 SER OG : rot -35:sc= 0.161 USER MOD Single : A 58 MET CE :methyl 155:sc= -2.02 (180deg=-4.28!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -0.01 (180deg=-0.172) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 78 ASN : amide:sc= -3.13 K(o=-3.1,f=-1.8) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.3) USER MOD Single : A 87 HIS : no HE2:sc= 0.0152 X(o=0.015,f=-0.25) USER MOD Single : A 88 MET CE :methyl -175:sc= -2.22 (180deg=-2.36) USER MOD Single : A 92 ASN : amide:sc= -3.53! C(o=-3.5!,f=-8.8!) USER MOD Single : A 99 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.5) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.0608 (180deg=-0.389) USER MOD Single : A 102 MET CE :methyl 161:sc= 0 (180deg=-0.337) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.911 USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0747) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.483 11.159 7.150 1.00 0.00 N ATOM 2 CA PRO A 1 -11.118 10.603 7.226 1.00 0.00 C ATOM 3 C PRO A 1 -10.966 9.351 6.366 1.00 0.00 C ATOM 4 O PRO A 1 -10.395 8.351 6.802 1.00 0.00 O ATOM 5 CB PRO A 1 -10.861 10.282 8.694 1.00 0.00 C ATOM 6 CG PRO A 1 -11.941 11.012 9.435 1.00 0.00 C ATOM 7 CD PRO A 1 -13.109 11.173 8.481 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.048 10.603 6.508 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.450 12.106 6.774 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.395 11.323 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.909 9.209 8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.871 10.616 9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.243 10.455 10.322 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.585 11.985 9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.830 10.363 8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.646 12.105 8.660 1.00 0.00 H new ATOM 17 N SER A 2 -11.479 9.413 5.141 1.00 0.00 N ATOM 18 CA SER A 2 -11.400 8.287 4.219 1.00 0.00 C ATOM 19 C SER A 2 -9.949 7.899 3.955 1.00 0.00 C ATOM 20 O SER A 2 -9.632 6.722 3.786 1.00 0.00 O ATOM 21 CB SER A 2 -12.098 8.630 2.901 1.00 0.00 C ATOM 22 OG SER A 2 -13.435 9.040 3.123 1.00 0.00 O ATOM 0 H SER A 2 -11.954 10.233 4.764 1.00 0.00 H new ATOM 0 HA SER A 2 -11.905 7.437 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.551 9.424 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.085 7.761 2.243 1.00 0.00 H new ATOM 0 HG SER A 2 -13.858 9.255 2.265 1.00 0.00 H new ATOM 28 N HIS A 3 -9.072 8.898 3.921 1.00 0.00 N ATOM 29 CA HIS A 3 -7.654 8.661 3.677 1.00 0.00 C ATOM 30 C HIS A 3 -7.060 7.743 4.738 1.00 0.00 C ATOM 31 O HIS A 3 -6.058 7.067 4.499 1.00 0.00 O ATOM 32 CB HIS A 3 -6.891 9.987 3.648 1.00 0.00 C ATOM 33 CG HIS A 3 -7.062 10.748 2.370 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.002 11.744 2.207 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.406 10.654 1.190 1.00 0.00 C ATOM 36 CE1 HIS A 3 -7.916 12.229 0.981 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.956 11.586 0.344 1.00 0.00 N ATOM 0 H HIS A 3 -9.318 9.878 4.059 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.558 8.172 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.226 10.608 4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.830 9.790 3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.601 9.973 0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.528 13.018 0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.669 11.754 -0.620 1.00 0.00 H new ATOM 46 N SER A 4 -7.683 7.720 5.909 1.00 0.00 N ATOM 47 CA SER A 4 -7.218 6.884 7.009 1.00 0.00 C ATOM 48 C SER A 4 -8.258 5.831 7.372 1.00 0.00 C ATOM 49 O SER A 4 -9.417 6.151 7.636 1.00 0.00 O ATOM 50 CB SER A 4 -6.897 7.746 8.231 1.00 0.00 C ATOM 51 OG SER A 4 -8.042 8.457 8.668 1.00 0.00 O ATOM 0 H SER A 4 -8.514 8.272 6.122 1.00 0.00 H new ATOM 0 HA SER A 4 -6.311 6.373 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.527 7.114 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.101 8.448 7.985 1.00 0.00 H new ATOM 0 HG SER A 4 -8.802 8.242 8.088 1.00 0.00 H new ATOM 57 N GLY A 5 -7.831 4.573 7.385 1.00 0.00 N ATOM 58 CA GLY A 5 -8.728 3.485 7.719 1.00 0.00 C ATOM 59 C GLY A 5 -7.980 2.277 8.244 1.00 0.00 C ATOM 60 O GLY A 5 -6.816 2.066 7.903 1.00 0.00 O ATOM 0 H GLY A 5 -6.876 4.288 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.444 3.822 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.300 3.202 6.835 1.00 0.00 H new ATOM 64 N ALA A 6 -8.641 1.482 9.077 1.00 0.00 N ATOM 65 CA ALA A 6 -8.014 0.298 9.646 1.00 0.00 C ATOM 66 C ALA A 6 -7.677 -0.720 8.566 1.00 0.00 C ATOM 67 O ALA A 6 -8.455 -0.940 7.638 1.00 0.00 O ATOM 68 CB ALA A 6 -8.908 -0.332 10.698 1.00 0.00 C ATOM 0 H ALA A 6 -9.605 1.635 9.371 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.084 0.613 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.419 -1.215 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.092 0.386 11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.856 -0.620 10.244 1.00 0.00 H new ATOM 74 N ALA A 7 -6.511 -1.338 8.696 1.00 0.00 N ATOM 75 CA ALA A 7 -6.067 -2.337 7.732 1.00 0.00 C ATOM 76 C ALA A 7 -5.018 -3.272 8.328 1.00 0.00 C ATOM 77 O ALA A 7 -4.217 -2.867 9.169 1.00 0.00 O ATOM 78 CB ALA A 7 -5.515 -1.655 6.489 1.00 0.00 C ATOM 0 H ALA A 7 -5.856 -1.166 9.458 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.932 -2.942 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.186 -2.410 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.293 -1.041 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.670 -1.024 6.765 1.00 0.00 H new ATOM 84 N ILE A 8 -5.028 -4.530 7.883 1.00 0.00 N ATOM 85 CA ILE A 8 -4.078 -5.522 8.370 1.00 0.00 C ATOM 86 C ILE A 8 -2.887 -5.655 7.436 1.00 0.00 C ATOM 87 O ILE A 8 -3.026 -5.600 6.214 1.00 0.00 O ATOM 88 CB ILE A 8 -4.722 -6.910 8.495 1.00 0.00 C ATOM 89 CG1 ILE A 8 -6.023 -6.833 9.279 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.771 -7.904 9.150 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.867 -8.062 9.094 1.00 0.00 C ATOM 0 H ILE A 8 -5.685 -4.882 7.186 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.753 -5.171 9.350 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.942 -7.263 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.801 -6.702 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.586 -5.956 8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.256 -8.877 9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.867 -7.994 8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.508 -7.553 10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.786 -7.963 9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.113 -8.179 8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.315 -8.937 9.437 1.00 0.00 H new ATOM 103 N PHE A 9 -1.721 -5.862 8.025 1.00 0.00 N ATOM 104 CA PHE A 9 -0.499 -6.041 7.261 1.00 0.00 C ATOM 105 C PHE A 9 0.408 -7.043 7.962 1.00 0.00 C ATOM 106 O PHE A 9 1.008 -6.738 8.992 1.00 0.00 O ATOM 107 CB PHE A 9 0.220 -4.706 7.069 1.00 0.00 C ATOM 108 CG PHE A 9 1.486 -4.820 6.270 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.468 -5.354 4.993 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.692 -4.393 6.798 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.633 -5.459 4.255 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.860 -4.495 6.066 1.00 0.00 C ATOM 113 CZ PHE A 9 3.830 -5.029 4.793 1.00 0.00 C ATOM 0 H PHE A 9 -1.596 -5.910 9.036 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.756 -6.429 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.453 -4.008 6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.453 -4.283 8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.534 -5.692 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.721 -3.975 7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.607 -5.877 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.795 -4.158 6.489 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.741 -5.110 4.219 1.00 0.00 H new ATOM 123 N GLU A 10 0.491 -8.245 7.398 1.00 0.00 N ATOM 124 CA GLU A 10 1.309 -9.314 7.959 1.00 0.00 C ATOM 125 C GLU A 10 0.617 -9.973 9.153 1.00 0.00 C ATOM 126 O GLU A 10 1.221 -10.159 10.209 1.00 0.00 O ATOM 127 CB GLU A 10 2.685 -8.787 8.370 1.00 0.00 C ATOM 128 CG GLU A 10 3.380 -7.983 7.284 1.00 0.00 C ATOM 129 CD GLU A 10 4.782 -7.559 7.676 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.130 -7.687 8.869 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.531 -7.096 6.790 1.00 0.00 O ATOM 0 H GLU A 10 -0.004 -8.504 6.544 1.00 0.00 H new ATOM 0 HA GLU A 10 1.442 -10.068 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.575 -8.164 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.319 -9.629 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.426 -8.577 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.787 -7.097 7.058 1.00 0.00 H new ATOM 138 N LYS A 11 -0.651 -10.349 8.965 1.00 0.00 N ATOM 139 CA LYS A 11 -1.424 -11.013 10.001 1.00 0.00 C ATOM 140 C LYS A 11 -1.627 -10.143 11.241 1.00 0.00 C ATOM 141 O LYS A 11 -2.093 -10.631 12.272 1.00 0.00 O ATOM 142 CB LYS A 11 -0.741 -12.319 10.367 1.00 0.00 C ATOM 143 CG LYS A 11 -1.103 -13.457 9.432 1.00 0.00 C ATOM 144 CD LYS A 11 -0.097 -14.594 9.519 1.00 0.00 C ATOM 145 CE LYS A 11 1.238 -14.205 8.903 1.00 0.00 C ATOM 146 NZ LYS A 11 1.393 -14.746 7.525 1.00 0.00 N ATOM 0 H LYS A 11 -1.162 -10.200 8.095 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.420 -11.208 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.339 -12.174 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.013 -12.592 11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.097 -13.830 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.147 -13.087 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.050 -14.872 10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.493 -15.472 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.323 -13.119 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.049 -14.574 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.316 -14.458 7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.337 -15.784 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.634 -14.374 6.919 1.00 0.00 H new ATOM 160 N VAL A 12 -1.314 -8.855 11.139 1.00 0.00 N ATOM 161 CA VAL A 12 -1.505 -7.944 12.245 1.00 0.00 C ATOM 162 C VAL A 12 -2.394 -6.795 11.798 1.00 0.00 C ATOM 163 O VAL A 12 -2.254 -6.298 10.683 1.00 0.00 O ATOM 164 CB VAL A 12 -0.168 -7.399 12.783 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.397 -6.481 13.975 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.762 -8.544 13.156 1.00 0.00 C ATOM 0 H VAL A 12 -0.927 -8.426 10.298 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.980 -8.493 13.058 1.00 0.00 H new ATOM 0 HB VAL A 12 0.305 -6.815 11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.561 -6.109 14.337 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.022 -5.641 13.672 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.895 -7.035 14.771 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.702 -8.141 13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.294 -9.157 13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.958 -9.155 12.275 1.00 0.00 H new ATOM 176 N SER A 13 -3.327 -6.396 12.648 1.00 0.00 N ATOM 177 CA SER A 13 -4.248 -5.323 12.299 1.00 0.00 C ATOM 178 C SER A 13 -3.839 -4.005 12.935 1.00 0.00 C ATOM 179 O SER A 13 -3.366 -3.961 14.071 1.00 0.00 O ATOM 180 CB SER A 13 -5.673 -5.687 12.720 1.00 0.00 C ATOM 181 OG SER A 13 -6.606 -4.740 12.228 1.00 0.00 O ATOM 0 H SER A 13 -3.467 -6.794 13.577 1.00 0.00 H new ATOM 0 HA SER A 13 -4.213 -5.199 11.217 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.924 -6.679 12.345 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.734 -5.732 13.807 1.00 0.00 H new ATOM 0 HG SER A 13 -7.510 -4.995 12.509 1.00 0.00 H new ATOM 187 N GLY A 14 -4.035 -2.931 12.182 1.00 0.00 N ATOM 188 CA GLY A 14 -3.696 -1.609 12.657 1.00 0.00 C ATOM 189 C GLY A 14 -4.385 -0.534 11.845 1.00 0.00 C ATOM 190 O GLY A 14 -5.128 -0.837 10.911 1.00 0.00 O ATOM 0 H GLY A 14 -4.427 -2.956 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.981 -1.514 13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.616 -1.469 12.606 1.00 0.00 H new ATOM 194 N ILE A 15 -4.146 0.723 12.192 1.00 0.00 N ATOM 195 CA ILE A 15 -4.758 1.830 11.476 1.00 0.00 C ATOM 196 C ILE A 15 -3.862 2.314 10.342 1.00 0.00 C ATOM 197 O ILE A 15 -2.690 2.631 10.545 1.00 0.00 O ATOM 198 CB ILE A 15 -5.091 2.995 12.429 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.147 2.529 13.446 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.567 4.216 11.645 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.445 3.312 13.411 1.00 0.00 C ATOM 0 H ILE A 15 -3.536 0.999 12.961 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.690 1.464 11.045 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.192 3.293 12.970 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.367 1.477 13.265 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.723 2.598 14.448 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.796 5.026 12.337 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.783 4.536 10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.462 3.958 11.078 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.130 2.915 14.160 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.243 4.362 13.624 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.897 3.223 12.423 1.00 0.00 H new ATOM 213 N ILE A 16 -4.431 2.346 9.146 1.00 0.00 N ATOM 214 CA ILE A 16 -3.715 2.762 7.956 1.00 0.00 C ATOM 215 C ILE A 16 -4.074 4.197 7.575 1.00 0.00 C ATOM 216 O ILE A 16 -5.238 4.514 7.335 1.00 0.00 O ATOM 217 CB ILE A 16 -4.041 1.801 6.784 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.849 0.883 6.516 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.445 2.561 5.522 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.984 0.045 5.260 1.00 0.00 C ATOM 0 H ILE A 16 -5.402 2.084 8.976 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.646 2.725 8.166 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.897 1.192 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.947 1.490 6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.716 0.219 7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.665 1.851 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.331 3.162 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.628 3.213 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.098 -0.578 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.866 -0.590 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.085 0.700 4.395 1.00 0.00 H new ATOM 232 N ALA A 17 -3.062 5.055 7.512 1.00 0.00 N ATOM 233 CA ALA A 17 -3.266 6.450 7.149 1.00 0.00 C ATOM 234 C ALA A 17 -2.503 6.790 5.877 1.00 0.00 C ATOM 235 O ALA A 17 -1.387 6.318 5.666 1.00 0.00 O ATOM 236 CB ALA A 17 -2.839 7.367 8.282 1.00 0.00 C ATOM 0 H ALA A 17 -2.092 4.808 7.708 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.330 6.601 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.000 8.405 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.428 7.145 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.782 7.210 8.498 1.00 0.00 H new ATOM 242 N ILE A 18 -3.112 7.607 5.030 1.00 0.00 N ATOM 243 CA ILE A 18 -2.495 8.005 3.778 1.00 0.00 C ATOM 244 C ILE A 18 -2.071 9.472 3.828 1.00 0.00 C ATOM 245 O ILE A 18 -2.911 10.373 3.823 1.00 0.00 O ATOM 246 CB ILE A 18 -3.464 7.765 2.596 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.180 6.407 1.953 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.371 8.875 1.562 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.280 5.935 1.026 1.00 0.00 C ATOM 0 H ILE A 18 -4.036 8.007 5.190 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.605 7.394 3.627 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.481 7.768 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.246 6.467 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.035 5.665 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.066 8.672 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.625 9.828 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.355 8.922 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.011 4.966 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.212 5.843 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.411 6.656 0.219 1.00 0.00 H new ATOM 261 N ASN A 19 -0.765 9.702 3.874 1.00 0.00 N ATOM 262 CA ASN A 19 -0.232 11.056 3.920 1.00 0.00 C ATOM 263 C ASN A 19 0.319 11.458 2.558 1.00 0.00 C ATOM 264 O ASN A 19 1.347 10.944 2.116 1.00 0.00 O ATOM 265 CB ASN A 19 0.865 11.162 4.980 1.00 0.00 C ATOM 266 CG ASN A 19 0.339 10.918 6.381 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.863 11.016 6.632 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.240 10.601 7.304 1.00 0.00 N ATOM 0 H ASN A 19 -0.056 8.968 3.880 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.043 11.735 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.651 10.440 4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.319 12.152 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.946 10.428 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.226 10.531 7.052 1.00 0.00 H new ATOM 275 N GLU A 20 -0.372 12.378 1.893 1.00 0.00 N ATOM 276 CA GLU A 20 0.052 12.844 0.579 1.00 0.00 C ATOM 277 C GLU A 20 0.905 14.104 0.689 1.00 0.00 C ATOM 278 O GLU A 20 1.595 14.479 -0.260 1.00 0.00 O ATOM 279 CB GLU A 20 -1.162 13.108 -0.315 1.00 0.00 C ATOM 280 CG GLU A 20 -2.292 13.842 0.388 1.00 0.00 C ATOM 281 CD GLU A 20 -3.048 14.773 -0.539 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.530 15.873 -0.829 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.159 14.404 -0.974 1.00 0.00 O ATOM 0 H GLU A 20 -1.226 12.814 2.242 1.00 0.00 H new ATOM 0 HA GLU A 20 0.659 12.059 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.845 13.691 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.538 12.157 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.985 13.115 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.885 14.416 1.221 1.00 0.00 H new ATOM 290 N ASP A 21 0.865 14.752 1.851 1.00 0.00 N ATOM 291 CA ASP A 21 1.649 15.961 2.073 1.00 0.00 C ATOM 292 C ASP A 21 3.126 15.705 1.793 1.00 0.00 C ATOM 293 O ASP A 21 3.885 16.630 1.504 1.00 0.00 O ATOM 294 CB ASP A 21 1.466 16.458 3.508 1.00 0.00 C ATOM 295 CG ASP A 21 0.059 16.956 3.774 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.683 17.192 2.796 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.303 17.111 4.959 1.00 0.00 O ATOM 0 H ASP A 21 0.300 14.461 2.649 1.00 0.00 H new ATOM 0 HA ASP A 21 1.294 16.728 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.699 15.650 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.176 17.262 3.704 1.00 0.00 H new ATOM 302 N VAL A 22 3.524 14.439 1.879 1.00 0.00 N ATOM 303 CA VAL A 22 4.901 14.049 1.634 1.00 0.00 C ATOM 304 C VAL A 22 5.160 13.869 0.143 1.00 0.00 C ATOM 305 O VAL A 22 4.242 13.582 -0.625 1.00 0.00 O ATOM 306 CB VAL A 22 5.260 12.745 2.358 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.756 12.671 2.619 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.476 12.603 3.655 1.00 0.00 C ATOM 0 H VAL A 22 2.905 13.664 2.118 1.00 0.00 H new ATOM 0 HA VAL A 22 5.527 14.853 2.022 1.00 0.00 H new ATOM 0 HB VAL A 22 4.984 11.913 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.990 11.739 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.293 12.707 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.059 13.514 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.751 11.670 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.706 13.441 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.408 12.597 3.436 1.00 0.00 H new ATOM 318 N SER A 23 6.413 14.037 -0.259 1.00 0.00 N ATOM 319 CA SER A 23 6.788 13.890 -1.659 1.00 0.00 C ATOM 320 C SER A 23 8.085 13.092 -1.793 1.00 0.00 C ATOM 321 O SER A 23 9.162 13.593 -1.468 1.00 0.00 O ATOM 322 CB SER A 23 6.949 15.262 -2.313 1.00 0.00 C ATOM 323 OG SER A 23 7.294 16.247 -1.355 1.00 0.00 O ATOM 0 H SER A 23 7.185 14.275 0.363 1.00 0.00 H new ATOM 0 HA SER A 23 5.993 13.346 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.719 15.213 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.020 15.543 -2.809 1.00 0.00 H new ATOM 0 HG SER A 23 7.393 17.115 -1.799 1.00 0.00 H new ATOM 329 N PRO A 24 8.007 11.833 -2.270 1.00 0.00 N ATOM 330 CA PRO A 24 6.745 11.194 -2.668 1.00 0.00 C ATOM 331 C PRO A 24 5.865 10.844 -1.473 1.00 0.00 C ATOM 332 O PRO A 24 6.363 10.538 -0.389 1.00 0.00 O ATOM 333 CB PRO A 24 7.205 9.922 -3.382 1.00 0.00 C ATOM 334 CG PRO A 24 8.528 9.610 -2.777 1.00 0.00 C ATOM 335 CD PRO A 24 9.161 10.936 -2.458 1.00 0.00 C ATOM 0 HA PRO A 24 6.133 11.852 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.498 9.106 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.288 10.079 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.413 9.006 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.148 9.038 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.777 10.881 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.807 11.277 -3.267 1.00 0.00 H new ATOM 343 N ALA A 25 4.553 10.886 -1.683 1.00 0.00 N ATOM 344 CA ALA A 25 3.593 10.568 -0.627 1.00 0.00 C ATOM 345 C ALA A 25 3.877 9.194 -0.028 1.00 0.00 C ATOM 346 O ALA A 25 4.722 8.453 -0.531 1.00 0.00 O ATOM 347 CB ALA A 25 2.174 10.626 -1.171 1.00 0.00 C ATOM 0 H ALA A 25 4.128 11.137 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 25 3.697 11.311 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.469 10.387 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.970 11.628 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.065 9.904 -1.981 1.00 0.00 H new ATOM 353 N GLU A 26 3.174 8.858 1.050 1.00 0.00 N ATOM 354 CA GLU A 26 3.372 7.568 1.707 1.00 0.00 C ATOM 355 C GLU A 26 2.133 7.130 2.485 1.00 0.00 C ATOM 356 O GLU A 26 1.299 7.950 2.867 1.00 0.00 O ATOM 357 CB GLU A 26 4.575 7.637 2.649 1.00 0.00 C ATOM 358 CG GLU A 26 5.882 7.966 1.946 1.00 0.00 C ATOM 359 CD GLU A 26 7.076 7.919 2.880 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.867 7.870 4.111 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.221 7.932 2.381 1.00 0.00 O ATOM 0 H GLU A 26 2.469 9.454 1.484 1.00 0.00 H new ATOM 0 HA GLU A 26 3.557 6.829 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.384 8.390 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.679 6.681 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.037 7.262 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.811 8.959 1.503 1.00 0.00 H new ATOM 368 N LEU A 27 2.034 5.822 2.720 1.00 0.00 N ATOM 369 CA LEU A 27 0.916 5.245 3.459 1.00 0.00 C ATOM 370 C LEU A 27 1.413 4.646 4.774 1.00 0.00 C ATOM 371 O LEU A 27 2.187 3.687 4.775 1.00 0.00 O ATOM 372 CB LEU A 27 0.221 4.177 2.601 1.00 0.00 C ATOM 373 CG LEU A 27 -0.421 3.019 3.371 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.471 3.538 4.339 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.034 2.015 2.406 1.00 0.00 C ATOM 0 H LEU A 27 2.722 5.138 2.405 1.00 0.00 H new ATOM 0 HA LEU A 27 0.193 6.027 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.550 4.663 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.952 3.765 1.905 1.00 0.00 H new ATOM 0 HG LEU A 27 0.356 2.515 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.916 2.701 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.005 4.220 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.247 4.067 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.486 1.198 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.798 2.508 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.258 1.618 1.752 1.00 0.00 H new ATOM 387 N THR A 28 0.987 5.229 5.890 1.00 0.00 N ATOM 388 CA THR A 28 1.398 4.784 7.195 1.00 0.00 C ATOM 389 C THR A 28 0.462 3.715 7.754 1.00 0.00 C ATOM 390 O THR A 28 -0.744 3.738 7.516 1.00 0.00 O ATOM 391 CB THR A 28 1.418 5.992 8.118 1.00 0.00 C ATOM 392 OG1 THR A 28 1.305 7.195 7.375 1.00 0.00 O ATOM 393 CG2 THR A 28 2.670 6.086 8.938 1.00 0.00 C ATOM 0 H THR A 28 0.347 6.023 5.903 1.00 0.00 H new ATOM 0 HA THR A 28 2.388 4.333 7.121 1.00 0.00 H new ATOM 0 HB THR A 28 0.568 5.859 8.787 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.158 7.945 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.622 6.969 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.766 5.195 9.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.533 6.162 8.277 1.00 0.00 H new ATOM 401 N TRP A 29 1.037 2.788 8.512 1.00 0.00 N ATOM 402 CA TRP A 29 0.282 1.714 9.130 1.00 0.00 C ATOM 403 C TRP A 29 0.689 1.543 10.587 1.00 0.00 C ATOM 404 O TRP A 29 1.804 1.115 10.881 1.00 0.00 O ATOM 405 CB TRP A 29 0.508 0.397 8.391 1.00 0.00 C ATOM 406 CG TRP A 29 -0.230 -0.742 9.018 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.561 -0.781 9.297 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.313 -1.991 9.465 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.890 -1.984 9.871 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.755 -2.742 9.987 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.594 -2.551 9.471 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.585 -4.017 10.505 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.762 -3.823 9.990 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.674 -4.545 10.500 1.00 0.00 C ATOM 0 H TRP A 29 2.037 2.763 8.713 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.774 1.979 9.077 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.190 0.506 7.354 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.574 0.171 8.375 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.258 0.019 9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.826 -2.267 10.163 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.437 -2.001 9.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.422 -4.574 10.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.747 -4.266 10.002 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.835 -5.537 10.896 1.00 0.00 H new ATOM 425 N ARG A 30 -0.219 1.862 11.495 1.00 0.00 N ATOM 426 CA ARG A 30 0.059 1.720 12.917 1.00 0.00 C ATOM 427 C ARG A 30 -0.689 0.514 13.476 1.00 0.00 C ATOM 428 O ARG A 30 -1.905 0.417 13.335 1.00 0.00 O ATOM 429 CB ARG A 30 -0.343 2.987 13.674 1.00 0.00 C ATOM 430 CG ARG A 30 0.120 3.004 15.121 1.00 0.00 C ATOM 431 CD ARG A 30 -0.324 4.272 15.835 1.00 0.00 C ATOM 432 NE ARG A 30 -1.771 4.314 16.031 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.630 4.805 15.139 1.00 0.00 C ATOM 434 NH1 ARG A 30 -2.197 5.298 13.985 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.930 4.801 15.403 1.00 0.00 N ATOM 0 H ARG A 30 -1.149 2.219 11.276 1.00 0.00 H new ATOM 0 HA ARG A 30 1.130 1.567 13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.070 3.854 13.159 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.428 3.087 13.647 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.279 2.134 15.642 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.207 2.927 15.157 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.174 4.336 16.802 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.011 5.142 15.257 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.147 3.945 16.904 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.199 5.303 13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.862 5.672 13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.270 4.423 16.287 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.590 5.176 14.722 1.00 0.00 H new ATOM 449 N SER A 31 0.037 -0.407 14.102 1.00 0.00 N ATOM 450 CA SER A 31 -0.579 -1.600 14.660 1.00 0.00 C ATOM 451 C SER A 31 -1.576 -1.231 15.748 1.00 0.00 C ATOM 452 O SER A 31 -1.462 -0.182 16.382 1.00 0.00 O ATOM 453 CB SER A 31 0.489 -2.545 15.212 1.00 0.00 C ATOM 454 OG SER A 31 -0.065 -3.805 15.550 1.00 0.00 O ATOM 0 H SER A 31 1.047 -0.349 14.234 1.00 0.00 H new ATOM 0 HA SER A 31 -1.117 -2.113 13.862 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.278 -2.679 14.471 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.951 -2.100 16.093 1.00 0.00 H new ATOM 0 HG SER A 31 0.640 -4.390 15.899 1.00 0.00 H new ATOM 460 N THR A 32 -2.550 -2.105 15.963 1.00 0.00 N ATOM 461 CA THR A 32 -3.564 -1.895 16.970 1.00 0.00 C ATOM 462 C THR A 32 -2.919 -1.693 18.334 1.00 0.00 C ATOM 463 O THR A 32 -3.432 -0.966 19.185 1.00 0.00 O ATOM 464 CB THR A 32 -4.480 -3.113 16.982 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.578 -2.932 16.106 1.00 0.00 O ATOM 466 CG2 THR A 32 -5.027 -3.454 18.341 1.00 0.00 C ATOM 0 H THR A 32 -2.654 -2.976 15.442 1.00 0.00 H new ATOM 0 HA THR A 32 -4.143 -1.000 16.742 1.00 0.00 H new ATOM 0 HB THR A 32 -3.846 -3.938 16.656 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.326 -3.216 15.203 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.669 -4.332 18.265 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.203 -3.665 19.022 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.606 -2.613 18.722 1.00 0.00 H new ATOM 474 N ASP A 33 -1.792 -2.353 18.521 1.00 0.00 N ATOM 475 CA ASP A 33 -1.051 -2.273 19.773 1.00 0.00 C ATOM 476 C ASP A 33 -0.483 -0.877 19.981 1.00 0.00 C ATOM 477 O ASP A 33 -0.365 -0.401 21.111 1.00 0.00 O ATOM 478 CB ASP A 33 0.077 -3.305 19.792 1.00 0.00 C ATOM 479 CG ASP A 33 -0.443 -4.731 19.790 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.639 -4.927 20.089 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.348 -5.649 19.487 1.00 0.00 O ATOM 0 H ASP A 33 -1.364 -2.956 17.818 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.742 -2.488 20.588 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.719 -3.154 18.924 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.695 -3.148 20.676 1.00 0.00 H new ATOM 486 N GLY A 34 -0.128 -0.232 18.882 1.00 0.00 N ATOM 487 CA GLY A 34 0.435 1.102 18.949 1.00 0.00 C ATOM 488 C GLY A 34 1.917 1.077 19.246 1.00 0.00 C ATOM 489 O GLY A 34 2.475 2.048 19.757 1.00 0.00 O ATOM 0 H GLY A 34 -0.220 -0.610 17.939 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.263 1.616 18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.080 1.674 19.721 1.00 0.00 H new ATOM 493 N ASP A 35 2.553 -0.042 18.925 1.00 0.00 N ATOM 494 CA ASP A 35 3.981 -0.205 19.159 1.00 0.00 C ATOM 495 C ASP A 35 4.742 -0.400 17.849 1.00 0.00 C ATOM 496 O ASP A 35 5.961 -0.243 17.803 1.00 0.00 O ATOM 497 CB ASP A 35 4.235 -1.391 20.091 1.00 0.00 C ATOM 498 CG ASP A 35 5.697 -1.527 20.470 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.461 -0.564 20.249 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.078 -2.598 20.989 1.00 0.00 O ATOM 0 H ASP A 35 2.101 -0.852 18.501 1.00 0.00 H new ATOM 0 HA ASP A 35 4.346 0.707 19.631 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.638 -1.273 20.995 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.902 -2.308 19.606 1.00 0.00 H new ATOM 505 N LYS A 36 4.019 -0.743 16.786 1.00 0.00 N ATOM 506 CA LYS A 36 4.637 -0.957 15.484 1.00 0.00 C ATOM 507 C LYS A 36 4.002 -0.054 14.431 1.00 0.00 C ATOM 508 O LYS A 36 2.784 -0.051 14.254 1.00 0.00 O ATOM 509 CB LYS A 36 4.507 -2.422 15.065 1.00 0.00 C ATOM 510 CG LYS A 36 5.804 -3.204 15.181 1.00 0.00 C ATOM 511 CD LYS A 36 6.101 -3.581 16.623 1.00 0.00 C ATOM 512 CE LYS A 36 7.365 -4.416 16.732 1.00 0.00 C ATOM 513 NZ LYS A 36 7.401 -5.504 15.716 1.00 0.00 N ATOM 0 H LYS A 36 3.008 -0.878 16.802 1.00 0.00 H new ATOM 0 HA LYS A 36 5.695 -0.706 15.565 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.747 -2.902 15.681 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.156 -2.467 14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.741 -4.107 14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.626 -2.609 14.783 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.209 -2.677 17.222 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.259 -4.138 17.035 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.237 -3.773 16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.429 -4.849 17.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.121 -6.205 15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.470 -5.965 15.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.637 -5.103 14.786 1.00 0.00 H new ATOM 527 N VAL A 37 4.838 0.710 13.738 1.00 0.00 N ATOM 528 CA VAL A 37 4.359 1.617 12.704 1.00 0.00 C ATOM 529 C VAL A 37 5.096 1.383 11.390 1.00 0.00 C ATOM 530 O VAL A 37 6.318 1.507 11.319 1.00 0.00 O ATOM 531 CB VAL A 37 4.529 3.089 13.124 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.887 4.015 12.103 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.938 3.317 14.507 1.00 0.00 C ATOM 0 H VAL A 37 5.849 0.719 13.873 1.00 0.00 H new ATOM 0 HA VAL A 37 3.298 1.411 12.565 1.00 0.00 H new ATOM 0 HB VAL A 37 5.594 3.317 13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.018 5.050 12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.359 3.869 11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.823 3.791 12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.066 4.362 14.790 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.876 3.072 14.494 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.448 2.681 15.230 1.00 0.00 H new ATOM 543 N HIS A 38 4.340 1.043 10.353 1.00 0.00 N ATOM 544 CA HIS A 38 4.918 0.789 9.036 1.00 0.00 C ATOM 545 C HIS A 38 4.564 1.898 8.059 1.00 0.00 C ATOM 546 O HIS A 38 3.458 2.430 8.076 1.00 0.00 O ATOM 547 CB HIS A 38 4.446 -0.549 8.478 1.00 0.00 C ATOM 548 CG HIS A 38 5.165 -0.968 7.233 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.925 -2.116 7.150 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.230 -0.388 6.011 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.428 -2.222 5.933 1.00 0.00 C ATOM 552 NE2 HIS A 38 6.019 -1.186 5.223 1.00 0.00 N ATOM 0 H HIS A 38 3.327 0.937 10.397 1.00 0.00 H new ATOM 0 HA HIS A 38 6.001 0.759 9.160 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.578 -1.317 9.240 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.378 -0.489 8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.750 0.532 5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.065 -3.019 5.579 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.252 -1.008 4.246 1.00 0.00 H new ATOM 561 N THR A 39 5.517 2.235 7.212 1.00 0.00 N ATOM 562 CA THR A 39 5.321 3.283 6.215 1.00 0.00 C ATOM 563 C THR A 39 5.479 2.722 4.805 1.00 0.00 C ATOM 564 O THR A 39 6.402 1.955 4.532 1.00 0.00 O ATOM 565 CB THR A 39 6.316 4.422 6.439 1.00 0.00 C ATOM 566 OG1 THR A 39 6.344 4.800 7.804 1.00 0.00 O ATOM 567 CG2 THR A 39 6.001 5.659 5.626 1.00 0.00 C ATOM 0 H THR A 39 6.439 1.800 7.190 1.00 0.00 H new ATOM 0 HA THR A 39 4.308 3.671 6.323 1.00 0.00 H new ATOM 0 HB THR A 39 7.281 4.032 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.987 5.529 7.929 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.745 6.429 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.019 5.411 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.012 6.029 5.895 1.00 0.00 H new ATOM 575 N VAL A 40 4.570 3.107 3.914 1.00 0.00 N ATOM 576 CA VAL A 40 4.607 2.637 2.534 1.00 0.00 C ATOM 577 C VAL A 40 4.749 3.798 1.557 1.00 0.00 C ATOM 578 O VAL A 40 4.286 4.907 1.824 1.00 0.00 O ATOM 579 CB VAL A 40 3.337 1.842 2.177 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.481 1.189 0.811 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.038 0.802 3.244 1.00 0.00 C ATOM 0 H VAL A 40 3.800 3.742 4.123 1.00 0.00 H new ATOM 0 HA VAL A 40 5.476 1.985 2.450 1.00 0.00 H new ATOM 0 HB VAL A 40 2.498 2.536 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.574 0.632 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.640 1.958 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.332 0.508 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.137 0.251 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.876 0.110 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.886 1.298 4.203 1.00 0.00 H new ATOM 591 N VAL A 41 5.385 3.532 0.421 1.00 0.00 N ATOM 592 CA VAL A 41 5.580 4.551 -0.601 1.00 0.00 C ATOM 593 C VAL A 41 4.476 4.477 -1.650 1.00 0.00 C ATOM 594 O VAL A 41 4.259 3.431 -2.261 1.00 0.00 O ATOM 595 CB VAL A 41 6.947 4.403 -1.296 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.234 5.610 -2.176 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.051 4.210 -0.267 1.00 0.00 C ATOM 0 H VAL A 41 5.774 2.619 0.186 1.00 0.00 H new ATOM 0 HA VAL A 41 5.546 5.518 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 41 6.916 3.519 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.204 5.486 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.459 5.698 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.245 6.512 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.009 4.107 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.084 5.073 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.852 3.311 0.316 1.00 0.00 H new ATOM 607 N LEU A 42 3.775 5.588 -1.846 1.00 0.00 N ATOM 608 CA LEU A 42 2.685 5.643 -2.814 1.00 0.00 C ATOM 609 C LEU A 42 3.190 6.018 -4.208 1.00 0.00 C ATOM 610 O LEU A 42 2.456 5.901 -5.190 1.00 0.00 O ATOM 611 CB LEU A 42 1.622 6.643 -2.354 1.00 0.00 C ATOM 612 CG LEU A 42 1.178 6.491 -0.898 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.004 7.411 -0.599 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.814 5.044 -0.594 1.00 0.00 C ATOM 0 H LEU A 42 3.942 6.462 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 42 2.243 4.649 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.008 7.652 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.748 6.542 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 42 2.011 6.776 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.298 7.289 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.299 8.446 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.832 7.158 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.501 4.958 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.002 4.729 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.682 4.407 -0.766 1.00 0.00 H new ATOM 626 N SER A 43 4.439 6.465 -4.292 1.00 0.00 N ATOM 627 CA SER A 43 5.026 6.850 -5.570 1.00 0.00 C ATOM 628 C SER A 43 5.498 5.623 -6.341 1.00 0.00 C ATOM 629 O SER A 43 5.536 5.628 -7.572 1.00 0.00 O ATOM 630 CB SER A 43 6.196 7.810 -5.350 1.00 0.00 C ATOM 631 OG SER A 43 7.002 7.909 -6.512 1.00 0.00 O ATOM 0 H SER A 43 5.063 6.569 -3.492 1.00 0.00 H new ATOM 0 HA SER A 43 4.259 7.354 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.816 8.796 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.802 7.464 -4.512 1.00 0.00 H new ATOM 0 HG SER A 43 7.742 8.530 -6.345 1.00 0.00 H new ATOM 637 N THR A 44 5.858 4.573 -5.610 1.00 0.00 N ATOM 638 CA THR A 44 6.328 3.340 -6.227 1.00 0.00 C ATOM 639 C THR A 44 5.158 2.456 -6.656 1.00 0.00 C ATOM 640 O THR A 44 5.318 1.562 -7.487 1.00 0.00 O ATOM 641 CB THR A 44 7.236 2.576 -5.265 1.00 0.00 C ATOM 642 OG1 THR A 44 7.790 1.435 -5.897 1.00 0.00 O ATOM 643 CG2 THR A 44 6.525 2.106 -4.013 1.00 0.00 C ATOM 0 H THR A 44 5.833 4.552 -4.591 1.00 0.00 H new ATOM 0 HA THR A 44 6.897 3.608 -7.117 1.00 0.00 H new ATOM 0 HB THR A 44 8.012 3.286 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.172 1.110 -6.585 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.228 1.571 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.129 2.967 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.706 1.441 -4.288 1.00 0.00 H new ATOM 651 N ILE A 45 3.986 2.709 -6.084 1.00 0.00 N ATOM 652 CA ILE A 45 2.795 1.934 -6.409 1.00 0.00 C ATOM 653 C ILE A 45 2.406 2.111 -7.871 1.00 0.00 C ATOM 654 O ILE A 45 1.689 3.047 -8.225 1.00 0.00 O ATOM 655 CB ILE A 45 1.602 2.334 -5.518 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.003 2.294 -4.044 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.416 1.416 -5.776 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.547 0.954 -3.599 1.00 0.00 C ATOM 0 H ILE A 45 3.836 3.444 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 45 3.040 0.888 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 45 1.307 3.353 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.755 3.061 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.136 2.545 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.418 1.711 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.118 1.491 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.697 0.387 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.810 1.001 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.789 0.185 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.434 0.709 -4.183 1.00 0.00 H new ATOM 670 N ASP A 46 2.881 1.204 -8.715 1.00 0.00 N ATOM 671 CA ASP A 46 2.580 1.255 -10.140 1.00 0.00 C ATOM 672 C ASP A 46 1.084 1.092 -10.382 1.00 0.00 C ATOM 673 O ASP A 46 0.538 1.637 -11.341 1.00 0.00 O ATOM 674 CB ASP A 46 3.353 0.164 -10.885 1.00 0.00 C ATOM 675 CG ASP A 46 3.233 0.296 -12.392 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.791 1.365 -12.861 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.583 -0.670 -13.101 1.00 0.00 O ATOM 0 H ASP A 46 3.477 0.424 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 46 2.888 2.230 -10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.405 0.210 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.982 -0.814 -10.578 1.00 0.00 H new ATOM 682 N LYS A 47 0.426 0.341 -9.504 1.00 0.00 N ATOM 683 CA LYS A 47 -1.008 0.105 -9.622 1.00 0.00 C ATOM 684 C LYS A 47 -1.603 -0.322 -8.285 1.00 0.00 C ATOM 685 O LYS A 47 -0.875 -0.636 -7.343 1.00 0.00 O ATOM 686 CB LYS A 47 -1.287 -0.963 -10.680 1.00 0.00 C ATOM 687 CG LYS A 47 -0.914 -0.539 -12.091 1.00 0.00 C ATOM 688 CD LYS A 47 -1.415 -1.537 -13.123 1.00 0.00 C ATOM 689 CE LYS A 47 -0.713 -2.878 -12.988 1.00 0.00 C ATOM 690 NZ LYS A 47 -1.461 -3.809 -12.098 1.00 0.00 N ATOM 0 H LYS A 47 0.864 -0.114 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.478 1.040 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.735 -1.868 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.346 -1.218 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.335 0.444 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.169 -0.445 -12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.490 -1.674 -13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.252 -1.139 -14.125 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.600 -3.330 -13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.291 -2.724 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.816 -4.194 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.235 -3.295 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.855 -4.588 -12.663 1.00 0.00 H new ATOM 704 N LEU A 48 -2.929 -0.335 -8.211 1.00 0.00 N ATOM 705 CA LEU A 48 -3.623 -0.729 -6.991 1.00 0.00 C ATOM 706 C LEU A 48 -4.597 -1.869 -7.265 1.00 0.00 C ATOM 707 O LEU A 48 -5.453 -1.771 -8.144 1.00 0.00 O ATOM 708 CB LEU A 48 -4.371 0.465 -6.396 1.00 0.00 C ATOM 709 CG LEU A 48 -5.342 1.164 -7.350 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.429 1.887 -6.569 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.596 2.133 -8.255 1.00 0.00 C ATOM 0 H LEU A 48 -3.545 -0.077 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.878 -1.075 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.926 0.127 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.640 1.195 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.816 0.407 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.110 2.378 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.983 1.168 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.974 2.633 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.302 2.621 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.094 2.886 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.856 1.588 -8.841 1.00 0.00 H new ATOM 723 N GLN A 49 -4.462 -2.953 -6.507 1.00 0.00 N ATOM 724 CA GLN A 49 -5.330 -4.114 -6.669 1.00 0.00 C ATOM 725 C GLN A 49 -6.136 -4.371 -5.401 1.00 0.00 C ATOM 726 O GLN A 49 -5.706 -4.027 -4.300 1.00 0.00 O ATOM 727 CB GLN A 49 -4.503 -5.350 -7.024 1.00 0.00 C ATOM 728 CG GLN A 49 -3.763 -5.228 -8.345 1.00 0.00 C ATOM 729 CD GLN A 49 -2.987 -6.482 -8.698 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.935 -7.432 -7.919 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.378 -6.488 -9.878 1.00 0.00 N ATOM 0 H GLN A 49 -3.759 -3.051 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.025 -3.907 -7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.781 -5.535 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.161 -6.218 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.478 -5.012 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.077 -4.383 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.448 -5.677 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.840 -7.304 -10.170 1.00 0.00 H new ATOM 740 N ALA A 50 -7.306 -4.980 -5.563 1.00 0.00 N ATOM 741 CA ALA A 50 -8.173 -5.284 -4.431 1.00 0.00 C ATOM 742 C ALA A 50 -8.848 -6.640 -4.603 1.00 0.00 C ATOM 743 O ALA A 50 -8.870 -7.200 -5.699 1.00 0.00 O ATOM 744 CB ALA A 50 -9.217 -4.191 -4.258 1.00 0.00 C ATOM 0 H ALA A 50 -7.675 -5.273 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.555 -5.327 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.858 -4.431 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.720 -3.238 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.823 -4.120 -5.161 1.00 0.00 H new ATOM 750 N THR A 51 -9.400 -7.164 -3.513 1.00 0.00 N ATOM 751 CA THR A 51 -10.076 -8.454 -3.544 1.00 0.00 C ATOM 752 C THR A 51 -11.391 -8.361 -4.313 1.00 0.00 C ATOM 753 O THR A 51 -12.048 -7.320 -4.312 1.00 0.00 O ATOM 754 CB THR A 51 -10.338 -8.951 -2.122 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.615 -7.865 -1.255 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.176 -9.723 -1.534 1.00 0.00 C ATOM 0 H THR A 51 -9.392 -6.714 -2.598 1.00 0.00 H new ATOM 0 HA THR A 51 -9.426 -9.164 -4.055 1.00 0.00 H new ATOM 0 HB THR A 51 -11.194 -9.621 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.585 -7.750 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.428 -10.047 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.968 -10.596 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.294 -9.083 -1.501 1.00 0.00 H new ATOM 764 N PRO A 52 -11.796 -9.453 -4.983 1.00 0.00 N ATOM 765 CA PRO A 52 -13.040 -9.489 -5.760 1.00 0.00 C ATOM 766 C PRO A 52 -14.280 -9.447 -4.874 1.00 0.00 C ATOM 767 O PRO A 52 -14.241 -9.857 -3.714 1.00 0.00 O ATOM 768 CB PRO A 52 -12.958 -10.825 -6.503 1.00 0.00 C ATOM 769 CG PRO A 52 -12.072 -11.674 -5.661 1.00 0.00 C ATOM 770 CD PRO A 52 -11.073 -10.739 -5.038 1.00 0.00 C ATOM 0 HA PRO A 52 -13.133 -8.625 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.944 -11.275 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.547 -10.696 -7.504 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.645 -12.198 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.573 -12.434 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.774 -11.074 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.165 -10.664 -5.636 1.00 0.00 H new ATOM 778 N ALA A 53 -15.380 -8.948 -5.429 1.00 0.00 N ATOM 779 CA ALA A 53 -16.635 -8.852 -4.692 1.00 0.00 C ATOM 780 C ALA A 53 -17.195 -10.233 -4.362 1.00 0.00 C ATOM 781 O ALA A 53 -18.066 -10.369 -3.503 1.00 0.00 O ATOM 782 CB ALA A 53 -17.650 -8.044 -5.486 1.00 0.00 C ATOM 0 H ALA A 53 -15.428 -8.603 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.433 -8.342 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.583 -7.980 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.261 -7.041 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -17.835 -8.532 -6.443 1.00 0.00 H new ATOM 788 N SER A 54 -16.694 -11.257 -5.049 1.00 0.00 N ATOM 789 CA SER A 54 -17.151 -12.625 -4.824 1.00 0.00 C ATOM 790 C SER A 54 -16.321 -13.317 -3.742 1.00 0.00 C ATOM 791 O SER A 54 -16.568 -14.477 -3.410 1.00 0.00 O ATOM 792 CB SER A 54 -17.077 -13.425 -6.124 1.00 0.00 C ATOM 793 OG SER A 54 -17.856 -14.606 -6.042 1.00 0.00 O ATOM 0 H SER A 54 -15.973 -11.165 -5.765 1.00 0.00 H new ATOM 0 HA SER A 54 -18.186 -12.581 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.429 -12.811 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.040 -13.684 -6.337 1.00 0.00 H new ATOM 0 HG SER A 54 -17.812 -14.964 -5.131 1.00 0.00 H new ATOM 799 N SER A 55 -15.341 -12.603 -3.195 1.00 0.00 N ATOM 800 CA SER A 55 -14.485 -13.154 -2.153 1.00 0.00 C ATOM 801 C SER A 55 -14.822 -12.540 -0.802 1.00 0.00 C ATOM 802 O SER A 55 -14.604 -11.350 -0.577 1.00 0.00 O ATOM 803 CB SER A 55 -13.013 -12.905 -2.487 1.00 0.00 C ATOM 804 OG SER A 55 -12.534 -13.856 -3.422 1.00 0.00 O ATOM 0 H SER A 55 -15.121 -11.642 -3.457 1.00 0.00 H new ATOM 0 HA SER A 55 -14.659 -14.229 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.894 -11.900 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.417 -12.954 -1.576 1.00 0.00 H new ATOM 0 HG SER A 55 -11.592 -13.674 -3.620 1.00 0.00 H new ATOM 810 N GLU A 56 -15.349 -13.363 0.097 1.00 0.00 N ATOM 811 CA GLU A 56 -15.709 -12.902 1.433 1.00 0.00 C ATOM 812 C GLU A 56 -14.503 -12.291 2.138 1.00 0.00 C ATOM 813 O GLU A 56 -14.651 -11.537 3.101 1.00 0.00 O ATOM 814 CB GLU A 56 -16.269 -14.060 2.261 1.00 0.00 C ATOM 815 CG GLU A 56 -16.840 -13.627 3.602 1.00 0.00 C ATOM 816 CD GLU A 56 -15.954 -14.019 4.768 1.00 0.00 C ATOM 817 OE1 GLU A 56 -15.263 -15.055 4.667 1.00 0.00 O ATOM 818 OE2 GLU A 56 -15.952 -13.292 5.784 1.00 0.00 O ATOM 0 H GLU A 56 -15.536 -14.351 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.476 -12.134 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.049 -14.562 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.478 -14.791 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.977 -12.546 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.826 -14.073 3.734 1.00 0.00 H new ATOM 825 N LYS A 57 -13.310 -12.619 1.652 1.00 0.00 N ATOM 826 CA LYS A 57 -12.078 -12.100 2.236 1.00 0.00 C ATOM 827 C LYS A 57 -11.700 -10.764 1.604 1.00 0.00 C ATOM 828 O LYS A 57 -11.485 -10.677 0.394 1.00 0.00 O ATOM 829 CB LYS A 57 -10.940 -13.106 2.057 1.00 0.00 C ATOM 830 CG LYS A 57 -10.555 -13.342 0.606 1.00 0.00 C ATOM 831 CD LYS A 57 -9.547 -14.471 0.473 1.00 0.00 C ATOM 832 CE LYS A 57 -8.935 -14.513 -0.918 1.00 0.00 C ATOM 833 NZ LYS A 57 -9.601 -15.520 -1.788 1.00 0.00 N ATOM 0 H LYS A 57 -13.170 -13.241 0.856 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.247 -11.942 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.065 -12.752 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.233 -14.056 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.447 -13.579 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.136 -12.427 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.758 -14.345 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.035 -15.422 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.012 -13.528 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.873 -14.746 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.154 -15.517 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.506 -16.464 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.609 -15.284 -1.884 1.00 0.00 H new ATOM 847 N MET A 58 -11.622 -9.726 2.429 1.00 0.00 N ATOM 848 CA MET A 58 -11.272 -8.394 1.950 1.00 0.00 C ATOM 849 C MET A 58 -9.775 -8.140 2.094 1.00 0.00 C ATOM 850 O MET A 58 -9.232 -8.181 3.197 1.00 0.00 O ATOM 851 CB MET A 58 -12.059 -7.331 2.719 1.00 0.00 C ATOM 852 CG MET A 58 -12.518 -6.169 1.853 1.00 0.00 C ATOM 853 SD MET A 58 -13.971 -6.575 0.864 1.00 0.00 S ATOM 854 CE MET A 58 -15.133 -7.039 2.145 1.00 0.00 C ATOM 0 H MET A 58 -11.796 -9.781 3.432 1.00 0.00 H new ATOM 0 HA MET A 58 -11.531 -8.334 0.893 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.931 -7.797 3.178 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.439 -6.947 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.743 -5.313 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.705 -5.870 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.151 -6.888 1.785 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.991 -8.089 2.402 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.966 -6.423 3.029 1.00 0.00 H new ATOM 864 N MET A 59 -9.112 -7.881 0.971 1.00 0.00 N ATOM 865 CA MET A 59 -7.678 -7.624 0.972 1.00 0.00 C ATOM 866 C MET A 59 -7.288 -6.702 -0.181 1.00 0.00 C ATOM 867 O MET A 59 -7.808 -6.828 -1.290 1.00 0.00 O ATOM 868 CB MET A 59 -6.905 -8.940 0.867 1.00 0.00 C ATOM 869 CG MET A 59 -7.249 -9.936 1.964 1.00 0.00 C ATOM 870 SD MET A 59 -6.182 -11.390 1.941 1.00 0.00 S ATOM 871 CE MET A 59 -4.644 -10.689 2.536 1.00 0.00 C ATOM 0 H MET A 59 -9.546 -7.844 0.049 1.00 0.00 H new ATOM 0 HA MET A 59 -7.423 -7.131 1.910 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.108 -9.395 -0.102 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.836 -8.728 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.167 -9.445 2.934 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.287 -10.250 1.852 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.172 -11.384 3.231 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.976 -10.509 1.694 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.847 -9.747 3.046 1.00 0.00 H new ATOM 881 N LEU A 60 -6.371 -5.777 0.087 1.00 0.00 N ATOM 882 CA LEU A 60 -5.913 -4.840 -0.932 1.00 0.00 C ATOM 883 C LEU A 60 -4.437 -5.062 -1.247 1.00 0.00 C ATOM 884 O LEU A 60 -3.589 -5.014 -0.357 1.00 0.00 O ATOM 885 CB LEU A 60 -6.136 -3.399 -0.467 1.00 0.00 C ATOM 886 CG LEU A 60 -5.905 -2.331 -1.537 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.187 -2.058 -2.308 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.374 -1.052 -0.904 1.00 0.00 C ATOM 0 H LEU A 60 -5.932 -5.657 1.000 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.492 -5.015 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.157 -3.306 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.473 -3.198 0.374 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.159 -2.702 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.001 -1.295 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.523 -2.975 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.957 -1.708 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.215 -0.302 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.097 -0.678 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.430 -1.260 -0.401 1.00 0.00 H new ATOM 900 N ARG A 61 -4.139 -5.309 -2.518 1.00 0.00 N ATOM 901 CA ARG A 61 -2.765 -5.541 -2.950 1.00 0.00 C ATOM 902 C ARG A 61 -2.232 -4.354 -3.742 1.00 0.00 C ATOM 903 O ARG A 61 -2.898 -3.846 -4.644 1.00 0.00 O ATOM 904 CB ARG A 61 -2.683 -6.813 -3.797 1.00 0.00 C ATOM 905 CG ARG A 61 -1.276 -7.136 -4.275 1.00 0.00 C ATOM 906 CD ARG A 61 -1.285 -8.217 -5.344 1.00 0.00 C ATOM 907 NE ARG A 61 -1.228 -9.560 -4.770 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.106 -10.137 -4.344 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.050 -9.492 -4.421 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.143 -11.362 -3.840 1.00 0.00 N ATOM 0 H ARG A 61 -4.830 -5.354 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.148 -5.664 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.062 -7.653 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.336 -6.706 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.809 -6.234 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.670 -7.463 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.186 -8.120 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.436 -8.073 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.098 -10.086 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.083 -8.549 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.906 -9.939 -4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.030 -11.862 -3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.716 -11.805 -3.513 1.00 0.00 H new ATOM 924 N LEU A 62 -1.023 -3.919 -3.402 1.00 0.00 N ATOM 925 CA LEU A 62 -0.395 -2.792 -4.082 1.00 0.00 C ATOM 926 C LEU A 62 0.864 -3.238 -4.817 1.00 0.00 C ATOM 927 O LEU A 62 1.734 -3.892 -4.242 1.00 0.00 O ATOM 928 CB LEU A 62 -0.058 -1.688 -3.078 1.00 0.00 C ATOM 929 CG LEU A 62 -0.912 -0.424 -3.202 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.369 -0.734 -2.901 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.393 0.662 -2.272 1.00 0.00 C ATOM 0 H LEU A 62 -0.458 -4.330 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.099 -2.399 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.169 -2.087 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.990 -1.414 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.843 -0.060 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.961 0.176 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.736 -1.479 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.456 -1.122 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.012 1.554 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.432 0.308 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.637 0.904 -2.534 1.00 0.00 H new ATOM 943 N ILE A 63 0.951 -2.879 -6.092 1.00 0.00 N ATOM 944 CA ILE A 63 2.102 -3.242 -6.911 1.00 0.00 C ATOM 945 C ILE A 63 3.136 -2.123 -6.929 1.00 0.00 C ATOM 946 O ILE A 63 2.855 -1.012 -7.378 1.00 0.00 O ATOM 947 CB ILE A 63 1.686 -3.562 -8.360 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.438 -4.450 -8.378 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.830 -4.232 -9.104 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.580 -5.712 -7.557 1.00 0.00 C ATOM 0 H ILE A 63 0.239 -2.337 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 63 2.539 -4.134 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 63 1.447 -2.626 -8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.411 -3.877 -8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.210 -4.721 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.520 -4.452 -10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.692 -3.566 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.099 -5.160 -8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.342 -6.291 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.407 -6.307 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.777 -5.450 -6.518 1.00 0.00 H new ATOM 962 N GLY A 64 4.335 -2.424 -6.441 1.00 0.00 N ATOM 963 CA GLY A 64 5.394 -1.433 -6.411 1.00 0.00 C ATOM 964 C GLY A 64 6.352 -1.575 -7.576 1.00 0.00 C ATOM 965 O GLY A 64 7.503 -1.976 -7.398 1.00 0.00 O ATOM 0 H GLY A 64 4.592 -3.337 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.955 -0.436 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.947 -1.525 -5.476 1.00 0.00 H new ATOM 969 N LYS A 65 5.878 -1.243 -8.775 1.00 0.00 N ATOM 970 CA LYS A 65 6.699 -1.332 -9.977 1.00 0.00 C ATOM 971 C LYS A 65 7.347 -2.707 -10.104 1.00 0.00 C ATOM 972 O LYS A 65 7.143 -3.582 -9.262 1.00 0.00 O ATOM 973 CB LYS A 65 7.772 -0.243 -9.959 1.00 0.00 C ATOM 974 CG LYS A 65 7.375 1.013 -10.717 1.00 0.00 C ATOM 975 CD LYS A 65 8.470 2.066 -10.662 1.00 0.00 C ATOM 976 CE LYS A 65 8.008 3.381 -11.267 1.00 0.00 C ATOM 977 NZ LYS A 65 7.672 4.386 -10.220 1.00 0.00 N ATOM 0 H LYS A 65 4.928 -0.910 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 65 6.052 -1.185 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.993 0.021 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.691 -0.642 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.163 0.761 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.456 1.419 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.771 2.226 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.349 1.707 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.791 3.778 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.135 3.205 -11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.361 5.269 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.908 4.018 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.512 4.574 -9.636 1.00 0.00 H new ATOM 991 N VAL A 66 8.129 -2.891 -11.163 1.00 0.00 N ATOM 992 CA VAL A 66 8.807 -4.161 -11.400 1.00 0.00 C ATOM 993 C VAL A 66 10.311 -3.963 -11.556 1.00 0.00 C ATOM 994 O VAL A 66 11.095 -4.403 -10.717 1.00 0.00 O ATOM 995 CB VAL A 66 8.261 -4.863 -12.658 1.00 0.00 C ATOM 996 CG1 VAL A 66 8.837 -6.263 -12.782 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.741 -4.905 -12.627 1.00 0.00 C ATOM 0 H VAL A 66 8.309 -2.178 -11.870 1.00 0.00 H new ATOM 0 HA VAL A 66 8.615 -4.788 -10.529 1.00 0.00 H new ATOM 0 HB VAL A 66 8.569 -4.291 -13.533 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.439 -6.742 -13.677 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.923 -6.205 -12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.563 -6.848 -11.904 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.372 -5.404 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.410 -5.453 -11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.350 -3.888 -12.591 1.00 0.00 H new ATOM 1007 N ASP A 67 10.706 -3.297 -12.637 1.00 0.00 N ATOM 1008 CA ASP A 67 12.118 -3.043 -12.903 1.00 0.00 C ATOM 1009 C ASP A 67 12.641 -1.906 -12.031 1.00 0.00 C ATOM 1010 O ASP A 67 12.122 -0.791 -12.070 1.00 0.00 O ATOM 1011 CB ASP A 67 12.325 -2.706 -14.380 1.00 0.00 C ATOM 1012 CG ASP A 67 12.012 -3.876 -15.292 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.940 -5.017 -14.790 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.840 -3.651 -16.508 1.00 0.00 O ATOM 0 H ASP A 67 10.070 -2.924 -13.342 1.00 0.00 H new ATOM 0 HA ASP A 67 12.677 -3.947 -12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.692 -1.861 -14.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.357 -2.393 -14.537 1.00 0.00 H new ATOM 1019 N GLU A 68 13.671 -2.197 -11.244 1.00 0.00 N ATOM 1020 CA GLU A 68 14.266 -1.202 -10.363 1.00 0.00 C ATOM 1021 C GLU A 68 15.668 -0.830 -10.832 1.00 0.00 C ATOM 1022 O GLU A 68 16.569 -0.608 -10.022 1.00 0.00 O ATOM 1023 CB GLU A 68 14.312 -1.726 -8.926 1.00 0.00 C ATOM 1024 CG GLU A 68 15.275 -2.885 -8.729 1.00 0.00 C ATOM 1025 CD GLU A 68 15.205 -3.471 -7.332 1.00 0.00 C ATOM 1026 OE1 GLU A 68 14.085 -3.769 -6.869 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.272 -3.631 -6.701 1.00 0.00 O ATOM 0 H GLU A 68 14.111 -3.116 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 68 13.646 -0.306 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.597 -0.911 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.311 -2.043 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.053 -3.665 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.292 -2.545 -8.926 1.00 0.00 H new ATOM 1034 N SER A 69 15.845 -0.768 -12.146 1.00 0.00 N ATOM 1035 CA SER A 69 17.136 -0.425 -12.730 1.00 0.00 C ATOM 1036 C SER A 69 17.583 0.965 -12.295 1.00 0.00 C ATOM 1037 O SER A 69 18.777 1.268 -12.274 1.00 0.00 O ATOM 1038 CB SER A 69 17.065 -0.498 -14.257 1.00 0.00 C ATOM 1039 OG SER A 69 16.619 -1.773 -14.686 1.00 0.00 O ATOM 0 H SER A 69 15.109 -0.951 -12.829 1.00 0.00 H new ATOM 0 HA SER A 69 17.869 -1.148 -12.372 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.389 0.272 -14.630 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.048 -0.292 -14.680 1.00 0.00 H new ATOM 0 HG SER A 69 16.580 -1.794 -15.665 1.00 0.00 H new ATOM 1045 N LYS A 70 16.618 1.808 -11.951 1.00 0.00 N ATOM 1046 CA LYS A 70 16.908 3.170 -11.516 1.00 0.00 C ATOM 1047 C LYS A 70 17.806 3.169 -10.284 1.00 0.00 C ATOM 1048 O LYS A 70 18.627 4.069 -10.102 1.00 0.00 O ATOM 1049 CB LYS A 70 15.608 3.919 -11.215 1.00 0.00 C ATOM 1050 CG LYS A 70 14.728 4.126 -12.436 1.00 0.00 C ATOM 1051 CD LYS A 70 13.471 4.908 -12.091 1.00 0.00 C ATOM 1052 CE LYS A 70 13.782 6.374 -11.830 1.00 0.00 C ATOM 1053 NZ LYS A 70 14.174 7.089 -13.075 1.00 0.00 N ATOM 0 H LYS A 70 15.626 1.573 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 70 17.433 3.679 -12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.046 3.366 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.850 4.890 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.289 4.658 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.452 3.158 -12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.755 4.827 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.000 4.472 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.909 6.858 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.587 6.450 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.147 8.115 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.137 6.808 -13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.512 6.844 -13.839 1.00 0.00 H new ATOM 1067 N LYS A 71 17.645 2.155 -9.440 1.00 0.00 N ATOM 1068 CA LYS A 71 18.443 2.038 -8.225 1.00 0.00 C ATOM 1069 C LYS A 71 19.823 1.468 -8.531 1.00 0.00 C ATOM 1070 O LYS A 71 19.991 0.687 -9.469 1.00 0.00 O ATOM 1071 CB LYS A 71 17.727 1.151 -7.205 1.00 0.00 C ATOM 1072 CG LYS A 71 16.574 1.845 -6.500 1.00 0.00 C ATOM 1073 CD LYS A 71 15.348 1.935 -7.394 1.00 0.00 C ATOM 1074 CE LYS A 71 14.190 2.619 -6.685 1.00 0.00 C ATOM 1075 NZ LYS A 71 12.878 2.256 -7.288 1.00 0.00 N ATOM 0 H LYS A 71 16.969 1.403 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 71 18.569 3.036 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.351 0.261 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 71 18.448 0.814 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.323 1.301 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.880 2.847 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.597 2.486 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.047 0.934 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.194 2.341 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.324 3.700 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.114 2.743 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.864 2.544 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.738 1.228 -7.222 1.00 0.00 H new ATOM 1089 N ARG A 72 20.811 1.864 -7.734 1.00 0.00 N ATOM 1090 CA ARG A 72 22.178 1.394 -7.920 1.00 0.00 C ATOM 1091 C ARG A 72 22.554 0.378 -6.847 1.00 0.00 C ATOM 1092 O ARG A 72 22.466 0.661 -5.652 1.00 0.00 O ATOM 1093 CB ARG A 72 23.154 2.571 -7.889 1.00 0.00 C ATOM 1094 CG ARG A 72 22.965 3.550 -9.037 1.00 0.00 C ATOM 1095 CD ARG A 72 23.999 4.664 -8.998 1.00 0.00 C ATOM 1096 NE ARG A 72 25.355 4.160 -9.206 1.00 0.00 N ATOM 1097 CZ ARG A 72 26.143 3.714 -8.229 1.00 0.00 C ATOM 1098 NH1 ARG A 72 25.718 3.706 -6.971 1.00 0.00 N ATOM 1099 NH2 ARG A 72 27.362 3.274 -8.511 1.00 0.00 N ATOM 0 H ARG A 72 20.690 2.509 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 72 22.239 0.907 -8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.037 3.104 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.174 2.187 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 72 23.038 3.018 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.964 3.980 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.765 5.403 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.946 5.175 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 72 25.721 4.149 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 72 24.782 4.043 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.328 3.363 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.695 3.277 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 72 27.966 2.932 -7.764 1.00 0.00 H new ATOM 1113 N LYS A 73 22.974 -0.805 -7.282 1.00 0.00 N ATOM 1114 CA LYS A 73 23.363 -1.866 -6.359 1.00 0.00 C ATOM 1115 C LYS A 73 24.583 -1.454 -5.541 1.00 0.00 C ATOM 1116 O LYS A 73 25.360 -0.594 -5.957 1.00 0.00 O ATOM 1117 CB LYS A 73 23.661 -3.154 -7.127 1.00 0.00 C ATOM 1118 CG LYS A 73 24.743 -2.999 -8.182 1.00 0.00 C ATOM 1119 CD LYS A 73 26.122 -3.291 -7.615 1.00 0.00 C ATOM 1120 CE LYS A 73 27.179 -3.325 -8.707 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.227 -4.347 -8.436 1.00 0.00 N ATOM 0 H LYS A 73 23.054 -1.054 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 73 22.532 -2.043 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.963 -3.927 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.746 -3.501 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.540 -3.674 -9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.720 -1.985 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.382 -2.530 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.106 -4.248 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.704 -3.538 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.644 -2.343 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.928 -4.337 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.698 -4.130 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.788 -5.288 -8.380 1.00 0.00 H new ATOM 1135 N ASP A 74 24.745 -2.072 -4.376 1.00 0.00 N ATOM 1136 CA ASP A 74 25.872 -1.772 -3.500 1.00 0.00 C ATOM 1137 C ASP A 74 26.640 -3.040 -3.148 1.00 0.00 C ATOM 1138 O ASP A 74 26.180 -4.151 -3.410 1.00 0.00 O ATOM 1139 CB ASP A 74 25.381 -1.086 -2.222 1.00 0.00 C ATOM 1140 CG ASP A 74 24.743 0.261 -2.496 1.00 0.00 C ATOM 1141 OD1 ASP A 74 24.970 0.815 -3.593 1.00 0.00 O ATOM 1142 OD2 ASP A 74 24.015 0.763 -1.614 1.00 0.00 O ATOM 0 H ASP A 74 24.110 -2.784 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 74 26.545 -1.098 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 74 24.659 -1.731 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 74 26.220 -0.955 -1.538 1.00 0.00 H new ATOM 1147 N ASN A 75 27.816 -2.867 -2.552 1.00 0.00 N ATOM 1148 CA ASN A 75 28.651 -3.998 -2.165 1.00 0.00 C ATOM 1149 C ASN A 75 28.272 -4.526 -0.781 1.00 0.00 C ATOM 1150 O ASN A 75 28.868 -5.485 -0.292 1.00 0.00 O ATOM 1151 CB ASN A 75 30.126 -3.593 -2.179 1.00 0.00 C ATOM 1152 CG ASN A 75 30.577 -3.097 -3.537 1.00 0.00 C ATOM 1153 OD1 ASN A 75 31.188 -2.034 -3.652 1.00 0.00 O ATOM 1154 ND2 ASN A 75 30.277 -3.865 -4.578 1.00 0.00 N ATOM 0 H ASN A 75 28.212 -1.954 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 75 28.486 -4.796 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 75 30.292 -2.812 -1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 75 30.737 -4.447 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 75 30.554 -3.581 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 75 29.769 -4.738 -4.438 1.00 0.00 H new ATOM 1161 N GLU A 76 27.282 -3.896 -0.151 1.00 0.00 N ATOM 1162 CA GLU A 76 26.837 -4.312 1.174 1.00 0.00 C ATOM 1163 C GLU A 76 25.623 -5.230 1.082 1.00 0.00 C ATOM 1164 O GLU A 76 24.710 -5.155 1.905 1.00 0.00 O ATOM 1165 CB GLU A 76 26.506 -3.088 2.032 1.00 0.00 C ATOM 1166 CG GLU A 76 27.699 -2.184 2.289 1.00 0.00 C ATOM 1167 CD GLU A 76 27.363 -1.015 3.193 1.00 0.00 C ATOM 1168 OE1 GLU A 76 26.160 -0.770 3.428 1.00 0.00 O ATOM 1169 OE2 GLU A 76 28.301 -0.341 3.669 1.00 0.00 O ATOM 0 H GLU A 76 26.776 -3.099 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 76 27.650 -4.867 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.723 -2.511 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 76 26.102 -3.423 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 76 28.502 -2.768 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.075 -1.806 1.338 1.00 0.00 H new ATOM 1176 N GLY A 77 25.622 -6.098 0.076 1.00 0.00 N ATOM 1177 CA GLY A 77 24.517 -7.023 -0.108 1.00 0.00 C ATOM 1178 C GLY A 77 23.177 -6.321 -0.218 1.00 0.00 C ATOM 1179 O GLY A 77 22.140 -6.895 0.117 1.00 0.00 O ATOM 0 H GLY A 77 26.367 -6.178 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.688 -7.613 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.489 -7.720 0.729 1.00 0.00 H new ATOM 1183 N ASN A 78 23.196 -5.078 -0.689 1.00 0.00 N ATOM 1184 CA ASN A 78 21.972 -4.301 -0.841 1.00 0.00 C ATOM 1185 C ASN A 78 20.993 -5.003 -1.777 1.00 0.00 C ATOM 1186 O ASN A 78 19.780 -4.965 -1.566 1.00 0.00 O ATOM 1187 CB ASN A 78 22.292 -2.903 -1.373 1.00 0.00 C ATOM 1188 CG ASN A 78 22.653 -1.932 -0.267 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.075 -0.849 -0.162 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.614 -2.314 0.567 1.00 0.00 N ATOM 0 H ASN A 78 24.045 -4.588 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 78 21.506 -4.210 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.119 -2.967 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.432 -2.520 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.900 -1.701 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 78 24.066 -3.220 0.443 1.00 0.00 H new ATOM 1197 N GLU A 79 21.527 -5.642 -2.813 1.00 0.00 N ATOM 1198 CA GLU A 79 20.701 -6.352 -3.782 1.00 0.00 C ATOM 1199 C GLU A 79 21.187 -7.786 -3.965 1.00 0.00 C ATOM 1200 O GLU A 79 22.361 -8.086 -3.748 1.00 0.00 O ATOM 1201 CB GLU A 79 20.712 -5.621 -5.126 1.00 0.00 C ATOM 1202 CG GLU A 79 20.173 -4.203 -5.053 1.00 0.00 C ATOM 1203 CD GLU A 79 20.088 -3.537 -6.413 1.00 0.00 C ATOM 1204 OE1 GLU A 79 20.614 -4.111 -7.389 1.00 0.00 O ATOM 1205 OE2 GLU A 79 19.496 -2.442 -6.501 1.00 0.00 O ATOM 0 H GLU A 79 22.528 -5.682 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 79 19.680 -6.380 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.733 -5.593 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.120 -6.189 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.182 -4.218 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.814 -3.609 -4.402 1.00 0.00 H new ATOM 1212 N VAL A 80 20.276 -8.667 -4.365 1.00 0.00 N ATOM 1213 CA VAL A 80 20.612 -10.070 -4.578 1.00 0.00 C ATOM 1214 C VAL A 80 19.709 -10.696 -5.636 1.00 0.00 C ATOM 1215 O VAL A 80 20.185 -11.224 -6.640 1.00 0.00 O ATOM 1216 CB VAL A 80 20.494 -10.880 -3.274 1.00 0.00 C ATOM 1217 CG1 VAL A 80 21.036 -12.287 -3.468 1.00 0.00 C ATOM 1218 CG2 VAL A 80 21.217 -10.174 -2.138 1.00 0.00 C ATOM 0 H VAL A 80 19.300 -8.434 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 80 21.646 -10.099 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 80 19.439 -10.955 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.944 -12.844 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.468 -12.791 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.085 -12.236 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 80 21.122 -10.762 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 80 22.272 -10.064 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.776 -9.189 -1.983 1.00 0.00 H new ATOM 1228 N VAL A 81 18.401 -10.632 -5.402 1.00 0.00 N ATOM 1229 CA VAL A 81 17.430 -11.191 -6.335 1.00 0.00 C ATOM 1230 C VAL A 81 16.366 -10.158 -6.701 1.00 0.00 C ATOM 1231 O VAL A 81 15.243 -10.201 -6.197 1.00 0.00 O ATOM 1232 CB VAL A 81 16.749 -12.445 -5.749 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.035 -12.112 -4.448 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.782 -13.052 -6.757 1.00 0.00 C ATOM 0 H VAL A 81 17.990 -10.199 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 81 17.975 -11.476 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 81 17.521 -13.183 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.562 -13.011 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.756 -11.733 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.275 -11.354 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.312 -13.935 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.015 -12.321 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.326 -13.335 -7.658 1.00 0.00 H new ATOM 1244 N PRO A 82 16.707 -9.210 -7.591 1.00 0.00 N ATOM 1245 CA PRO A 82 15.775 -8.162 -8.023 1.00 0.00 C ATOM 1246 C PRO A 82 14.441 -8.731 -8.495 1.00 0.00 C ATOM 1247 O PRO A 82 14.398 -9.611 -9.353 1.00 0.00 O ATOM 1248 CB PRO A 82 16.511 -7.492 -9.186 1.00 0.00 C ATOM 1249 CG PRO A 82 17.955 -7.741 -8.914 1.00 0.00 C ATOM 1250 CD PRO A 82 18.023 -9.084 -8.243 1.00 0.00 C ATOM 0 HA PRO A 82 15.522 -7.481 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.209 -7.917 -10.143 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.295 -6.425 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.533 -7.737 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.372 -6.963 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.192 -9.884 -8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.836 -9.130 -7.518 1.00 0.00 H new ATOM 1258 N LYS A 83 13.354 -8.221 -7.926 1.00 0.00 N ATOM 1259 CA LYS A 83 12.017 -8.676 -8.285 1.00 0.00 C ATOM 1260 C LYS A 83 10.975 -7.606 -7.968 1.00 0.00 C ATOM 1261 O LYS A 83 11.255 -6.653 -7.238 1.00 0.00 O ATOM 1262 CB LYS A 83 11.679 -9.970 -7.543 1.00 0.00 C ATOM 1263 CG LYS A 83 11.919 -11.225 -8.367 1.00 0.00 C ATOM 1264 CD LYS A 83 12.412 -12.374 -7.504 1.00 0.00 C ATOM 1265 CE LYS A 83 11.281 -12.990 -6.697 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.238 -12.462 -5.305 1.00 0.00 N ATOM 0 H LYS A 83 13.373 -7.491 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 83 12.001 -8.867 -9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.276 -10.024 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.633 -9.941 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.995 -11.515 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.651 -11.015 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.866 -13.137 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.189 -12.016 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.331 -12.788 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.402 -14.073 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.453 -12.908 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.135 -12.677 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.096 -11.432 -5.329 1.00 0.00 H new ATOM 1280 N PRO A 84 9.754 -7.748 -8.512 1.00 0.00 N ATOM 1281 CA PRO A 84 8.671 -6.787 -8.281 1.00 0.00 C ATOM 1282 C PRO A 84 8.201 -6.787 -6.830 1.00 0.00 C ATOM 1283 O PRO A 84 7.848 -7.830 -6.282 1.00 0.00 O ATOM 1284 CB PRO A 84 7.552 -7.276 -9.206 1.00 0.00 C ATOM 1285 CG PRO A 84 7.839 -8.721 -9.422 1.00 0.00 C ATOM 1286 CD PRO A 84 9.336 -8.853 -9.392 1.00 0.00 C ATOM 0 HA PRO A 84 8.986 -5.763 -8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.572 -7.131 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.550 -6.728 -10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.378 -9.331 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.436 -9.061 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.647 -9.821 -8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.768 -8.760 -10.388 1.00 0.00 H new ATOM 1294 N GLN A 85 8.198 -5.608 -6.215 1.00 0.00 N ATOM 1295 CA GLN A 85 7.770 -5.473 -4.828 1.00 0.00 C ATOM 1296 C GLN A 85 6.267 -5.237 -4.743 1.00 0.00 C ATOM 1297 O GLN A 85 5.735 -4.327 -5.376 1.00 0.00 O ATOM 1298 CB GLN A 85 8.519 -4.323 -4.150 1.00 0.00 C ATOM 1299 CG GLN A 85 9.943 -4.675 -3.758 1.00 0.00 C ATOM 1300 CD GLN A 85 10.007 -5.628 -2.581 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.324 -5.435 -1.574 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.828 -6.665 -2.701 1.00 0.00 N ATOM 0 H GLN A 85 8.487 -4.734 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 85 8.003 -6.403 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.537 -3.465 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.970 -4.018 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.450 -5.124 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.484 -3.762 -3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.375 -6.786 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.911 -7.340 -1.941 1.00 0.00 H new ATOM 1311 N ARG A 86 5.587 -6.066 -3.957 1.00 0.00 N ATOM 1312 CA ARG A 86 4.145 -5.948 -3.789 1.00 0.00 C ATOM 1313 C ARG A 86 3.760 -6.018 -2.315 1.00 0.00 C ATOM 1314 O ARG A 86 4.341 -6.786 -1.548 1.00 0.00 O ATOM 1315 CB ARG A 86 3.428 -7.052 -4.568 1.00 0.00 C ATOM 1316 CG ARG A 86 3.671 -6.996 -6.067 1.00 0.00 C ATOM 1317 CD ARG A 86 2.827 -8.020 -6.808 1.00 0.00 C ATOM 1318 NE ARG A 86 3.187 -8.107 -8.221 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.828 -9.112 -9.017 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.100 -10.114 -8.543 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.196 -9.112 -10.290 1.00 0.00 N ATOM 0 H ARG A 86 6.013 -6.826 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 86 3.838 -4.978 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.755 -8.021 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.357 -6.981 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.440 -5.997 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.726 -7.176 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.951 -8.997 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.774 -7.755 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 86 3.746 -7.354 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.812 -10.117 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.828 -10.882 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.754 -8.342 -10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.921 -9.882 -10.900 1.00 0.00 H new ATOM 1335 N HIS A 87 2.775 -5.215 -1.927 1.00 0.00 N ATOM 1336 CA HIS A 87 2.311 -5.187 -0.545 1.00 0.00 C ATOM 1337 C HIS A 87 0.851 -5.619 -0.453 1.00 0.00 C ATOM 1338 O HIS A 87 -0.048 -4.898 -0.886 1.00 0.00 O ATOM 1339 CB HIS A 87 2.476 -3.785 0.045 1.00 0.00 C ATOM 1340 CG HIS A 87 3.852 -3.515 0.569 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.130 -3.361 1.910 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.033 -3.372 -0.077 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.423 -3.133 2.067 1.00 0.00 C ATOM 1344 NE2 HIS A 87 5.992 -3.135 0.876 1.00 0.00 N ATOM 0 H HIS A 87 2.283 -4.575 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 87 2.918 -5.888 0.028 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.236 -3.047 -0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.756 -3.652 0.852 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.445 -3.415 2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.191 -3.433 -1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.927 -2.973 3.009 1.00 0.00 H new ATOM 1353 N MET A 88 0.621 -6.797 0.114 1.00 0.00 N ATOM 1354 CA MET A 88 -0.731 -7.322 0.263 1.00 0.00 C ATOM 1355 C MET A 88 -1.293 -6.986 1.640 1.00 0.00 C ATOM 1356 O MET A 88 -0.708 -7.342 2.663 1.00 0.00 O ATOM 1357 CB MET A 88 -0.741 -8.837 0.052 1.00 0.00 C ATOM 1358 CG MET A 88 -2.132 -9.449 0.109 1.00 0.00 C ATOM 1359 SD MET A 88 -2.094 -11.245 0.272 1.00 0.00 S ATOM 1360 CE MET A 88 -1.394 -11.714 -1.309 1.00 0.00 C ATOM 0 H MET A 88 1.353 -7.407 0.478 1.00 0.00 H new ATOM 0 HA MET A 88 -1.361 -6.854 -0.493 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.292 -9.064 -0.915 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.115 -9.306 0.812 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.678 -9.023 0.951 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.680 -9.181 -0.795 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.389 -12.800 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.993 -11.287 -2.113 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.373 -11.340 -1.380 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.426 -6.293 1.659 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.063 -5.905 2.912 1.00 0.00 C ATOM 1372 C PHE A 89 -4.378 -6.649 3.116 1.00 0.00 C ATOM 1373 O PHE A 89 -5.017 -7.079 2.157 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.313 -4.398 2.933 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.056 -3.587 3.059 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.434 -3.440 4.286 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.499 -2.973 1.949 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.276 -2.695 4.405 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.342 -2.227 2.061 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.271 -2.086 3.291 1.00 0.00 C ATOM 0 H PHE A 89 -2.922 -5.988 0.821 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.389 -6.171 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.832 -4.110 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.976 -4.159 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.858 -3.912 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.975 -3.079 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.201 -2.589 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.083 -1.754 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.175 -1.502 3.382 1.00 0.00 H new ATOM 1390 N SER A 90 -4.779 -6.787 4.375 1.00 0.00 N ATOM 1391 CA SER A 90 -6.022 -7.468 4.715 1.00 0.00 C ATOM 1392 C SER A 90 -6.978 -6.511 5.418 1.00 0.00 C ATOM 1393 O SER A 90 -6.654 -5.960 6.470 1.00 0.00 O ATOM 1394 CB SER A 90 -5.741 -8.682 5.603 1.00 0.00 C ATOM 1395 OG SER A 90 -6.297 -9.861 5.046 1.00 0.00 O ATOM 0 H SER A 90 -4.259 -6.435 5.179 1.00 0.00 H new ATOM 0 HA SER A 90 -6.489 -7.812 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.665 -8.806 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.157 -8.514 6.596 1.00 0.00 H new ATOM 0 HG SER A 90 -6.102 -10.623 5.631 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.148 -6.304 4.826 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.136 -5.399 5.393 1.00 0.00 C ATOM 1403 C PHE A 91 -10.242 -6.150 6.112 1.00 0.00 C ATOM 1404 O PHE A 91 -10.755 -7.156 5.621 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.741 -4.531 4.294 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.895 -3.346 3.952 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.856 -3.462 3.047 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.137 -2.119 4.543 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.069 -2.371 2.732 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.353 -1.022 4.236 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.317 -1.149 3.328 1.00 0.00 C ATOM 0 H PHE A 91 -8.434 -6.751 3.955 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.625 -4.771 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.887 -5.137 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.726 -4.188 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.657 -4.416 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.946 -2.017 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.262 -2.473 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.549 -0.069 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.703 -0.294 3.085 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.623 -5.635 7.273 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.688 -6.233 8.059 1.00 0.00 C ATOM 1423 C ASN A 92 -13.003 -5.497 7.814 1.00 0.00 C ATOM 1424 O ASN A 92 -13.993 -5.732 8.506 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.337 -6.198 9.548 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.103 -7.017 9.870 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.677 -7.857 9.077 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.524 -6.778 11.041 1.00 0.00 N ATOM 0 H ASN A 92 -10.208 -4.802 7.690 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.803 -7.272 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.175 -5.165 9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.181 -6.574 10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.692 -7.300 11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.912 -6.072 11.667 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.008 -4.601 6.823 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.205 -3.838 6.500 1.00 0.00 C ATOM 1437 C ASN A 93 -14.197 -3.383 5.046 1.00 0.00 C ATOM 1438 O ASN A 93 -13.268 -2.710 4.599 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.333 -2.629 7.427 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.718 -2.013 7.387 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.593 -2.473 6.652 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.925 -0.967 8.177 1.00 0.00 N ATOM 0 H ASN A 93 -12.200 -4.391 6.237 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.065 -4.492 6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.103 -2.932 8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.596 -1.878 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.837 -0.511 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.172 -0.619 8.770 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.244 -3.752 4.314 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.365 -3.380 2.910 1.00 0.00 C ATOM 1451 C ARG A 94 -15.400 -1.865 2.756 1.00 0.00 C ATOM 1452 O ARG A 94 -14.795 -1.308 1.841 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.626 -3.996 2.303 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.753 -3.773 0.805 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.992 -4.451 0.243 1.00 0.00 C ATOM 1456 NE ARG A 94 -19.223 -3.809 0.696 1.00 0.00 N ATOM 1457 CZ ARG A 94 -20.406 -3.976 0.111 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.524 -4.766 -0.949 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.476 -3.354 0.587 1.00 0.00 N ATOM 0 H ARG A 94 -16.021 -4.309 4.671 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.493 -3.764 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.629 -5.067 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.501 -3.576 2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.797 -2.704 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.866 -4.159 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.953 -4.431 -0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.999 -5.499 0.543 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.173 -3.196 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.705 -5.249 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.434 -4.890 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.392 -2.747 1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.383 -3.483 0.138 1.00 0.00 H new ATOM 1473 N THR A 95 -16.113 -1.197 3.657 1.00 0.00 N ATOM 1474 CA THR A 95 -16.228 0.240 3.627 1.00 0.00 C ATOM 1475 C THR A 95 -14.878 0.897 3.860 1.00 0.00 C ATOM 1476 O THR A 95 -14.518 1.865 3.191 1.00 0.00 O ATOM 1477 CB THR A 95 -17.226 0.672 4.692 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.087 -0.401 5.037 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.091 1.822 4.259 1.00 0.00 C ATOM 0 H THR A 95 -16.621 -1.642 4.421 1.00 0.00 H new ATOM 0 HA THR A 95 -16.579 0.555 2.645 1.00 0.00 H new ATOM 0 HB THR A 95 -16.623 0.987 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.640 -0.983 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.780 2.081 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.463 2.682 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.658 1.537 3.373 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.136 0.354 4.809 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.818 0.873 5.135 1.00 0.00 C ATOM 1489 C VAL A 96 -11.831 0.569 4.018 1.00 0.00 C ATOM 1490 O VAL A 96 -10.922 1.351 3.744 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.285 0.291 6.461 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.918 0.870 6.794 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.269 0.550 7.591 1.00 0.00 C ATOM 0 H VAL A 96 -14.424 -0.448 5.369 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.919 1.952 5.250 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.176 -0.787 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.562 0.446 7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.216 0.627 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.996 1.953 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.876 0.133 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.413 1.624 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.224 0.079 7.357 1.00 0.00 H new ATOM 1503 N MET A 97 -12.027 -0.572 3.374 1.00 0.00 N ATOM 1504 CA MET A 97 -11.161 -0.983 2.279 1.00 0.00 C ATOM 1505 C MET A 97 -11.469 -0.181 1.018 1.00 0.00 C ATOM 1506 O MET A 97 -10.585 0.081 0.204 1.00 0.00 O ATOM 1507 CB MET A 97 -11.298 -2.493 2.022 1.00 0.00 C ATOM 1508 CG MET A 97 -12.324 -2.867 0.959 1.00 0.00 C ATOM 1509 SD MET A 97 -11.576 -3.158 -0.655 1.00 0.00 S ATOM 1510 CE MET A 97 -12.465 -4.622 -1.180 1.00 0.00 C ATOM 0 H MET A 97 -12.777 -1.229 3.590 1.00 0.00 H new ATOM 0 HA MET A 97 -10.128 -0.780 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.326 -2.887 1.724 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.568 -2.984 2.957 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.858 -3.763 1.275 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.062 -2.069 0.875 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.543 -4.630 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.930 -5.511 -0.848 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.464 -4.616 -0.745 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.732 0.209 0.865 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.153 0.982 -0.291 1.00 0.00 C ATOM 1522 C ASP A 98 -12.755 2.444 -0.137 1.00 0.00 C ATOM 1523 O ASP A 98 -12.538 3.148 -1.124 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.666 0.868 -0.490 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.099 -0.545 -0.827 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.235 -1.353 -1.225 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.305 -0.844 -0.693 1.00 0.00 O ATOM 0 H ASP A 98 -13.478 0.001 1.529 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.651 0.577 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.175 1.195 0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.976 1.541 -1.289 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.660 2.893 1.107 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.285 4.269 1.397 1.00 0.00 C ATOM 1534 C ASN A 99 -10.813 4.502 1.088 1.00 0.00 C ATOM 1535 O ASN A 99 -10.413 5.595 0.686 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.572 4.603 2.861 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.054 4.571 3.182 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -14.897 4.647 2.288 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.379 4.456 4.464 1.00 0.00 N ATOM 0 H ASN A 99 -12.838 2.322 1.933 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.881 4.925 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.049 3.893 3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.175 5.592 3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.360 4.428 4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.647 4.396 5.172 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.015 3.462 1.279 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.583 3.532 1.025 1.00 0.00 C ATOM 1548 C ILE A 100 -8.269 3.236 -0.439 1.00 0.00 C ATOM 1549 O ILE A 100 -7.481 3.940 -1.071 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.809 2.538 1.914 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.133 2.780 3.391 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.311 2.651 1.666 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.625 4.108 3.913 1.00 0.00 C ATOM 0 H ILE A 100 -10.338 2.553 1.611 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.267 4.548 1.263 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.121 1.526 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.213 2.734 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.700 1.976 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.782 1.942 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.098 2.429 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.979 3.663 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.891 4.211 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.541 4.150 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.077 4.920 3.343 1.00 0.00 H new ATOM 1565 N LYS A 101 -8.888 2.187 -0.970 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.673 1.790 -2.357 1.00 0.00 C ATOM 1567 C LYS A 101 -8.985 2.937 -3.315 1.00 0.00 C ATOM 1568 O LYS A 101 -8.210 3.223 -4.227 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.538 0.576 -2.699 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.251 -0.010 -4.072 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.079 -1.257 -4.329 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.522 -0.911 -4.654 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.640 -0.176 -5.944 1.00 0.00 N ATOM 0 H LYS A 101 -9.544 1.595 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.621 1.527 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.382 -0.195 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.588 0.863 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.465 0.735 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.191 -0.253 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.644 -1.820 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.048 -1.903 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.113 -1.826 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.940 -0.304 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.610 -0.267 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.420 0.829 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.973 -0.576 -6.634 1.00 0.00 H new ATOM 1587 N MET A 102 -10.124 3.587 -3.104 1.00 0.00 N ATOM 1588 CA MET A 102 -10.534 4.698 -3.954 1.00 0.00 C ATOM 1589 C MET A 102 -9.629 5.904 -3.755 1.00 0.00 C ATOM 1590 O MET A 102 -9.407 6.686 -4.677 1.00 0.00 O ATOM 1591 CB MET A 102 -11.988 5.080 -3.674 1.00 0.00 C ATOM 1592 CG MET A 102 -12.982 3.985 -4.024 1.00 0.00 C ATOM 1593 SD MET A 102 -14.695 4.506 -3.803 1.00 0.00 S ATOM 1594 CE MET A 102 -15.555 2.954 -4.042 1.00 0.00 C ATOM 0 H MET A 102 -10.778 3.364 -2.354 1.00 0.00 H new ATOM 0 HA MET A 102 -10.448 4.374 -4.991 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.092 5.330 -2.618 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.235 5.978 -4.240 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.830 3.679 -5.059 1.00 0.00 H new ATOM 0 HG3 MET A 102 -12.789 3.111 -3.401 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.556 3.024 -3.617 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.628 2.739 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.005 2.153 -3.547 1.00 0.00 H new ATOM 1604 N THR A 103 -9.106 6.046 -2.548 1.00 0.00 N ATOM 1605 CA THR A 103 -8.221 7.149 -2.229 1.00 0.00 C ATOM 1606 C THR A 103 -6.830 6.886 -2.796 1.00 0.00 C ATOM 1607 O THR A 103 -6.126 7.810 -3.201 1.00 0.00 O ATOM 1608 CB THR A 103 -8.171 7.363 -0.708 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.976 8.467 -0.335 1.00 0.00 O ATOM 1610 CG2 THR A 103 -6.781 7.608 -0.160 1.00 0.00 C ATOM 0 H THR A 103 -9.281 5.408 -1.772 1.00 0.00 H new ATOM 0 HA THR A 103 -8.605 8.061 -2.686 1.00 0.00 H new ATOM 0 HB THR A 103 -8.540 6.429 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.935 8.589 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.835 7.749 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.146 6.751 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.360 8.501 -0.622 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.448 5.613 -2.830 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.149 5.224 -3.357 1.00 0.00 C ATOM 1620 C LEU A 104 -5.113 5.399 -4.870 1.00 0.00 C ATOM 1621 O LEU A 104 -4.075 5.737 -5.438 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.835 3.772 -2.990 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.482 3.536 -1.521 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.459 2.047 -1.210 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.140 4.172 -1.189 1.00 0.00 C ATOM 0 H LEU A 104 -7.020 4.836 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.392 5.870 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.697 3.155 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.004 3.429 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.248 4.003 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.206 1.898 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.441 1.618 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.714 1.556 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.903 3.995 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.364 3.732 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.190 5.245 -1.374 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.253 5.173 -5.517 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.341 5.314 -6.964 1.00 0.00 C ATOM 1639 C GLN A 105 -6.185 6.772 -7.368 1.00 0.00 C ATOM 1640 O GLN A 105 -5.605 7.086 -8.408 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.670 4.743 -7.479 1.00 0.00 C ATOM 1642 CG GLN A 105 -8.824 5.737 -7.482 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.983 6.440 -8.816 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -9.009 7.668 -8.885 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.091 5.661 -9.887 1.00 0.00 N ATOM 0 H GLN A 105 -7.123 4.893 -5.064 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.528 4.747 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.523 4.373 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.946 3.887 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.749 5.215 -7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.661 6.480 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.064 4.647 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.200 6.078 -10.812 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.704 7.656 -6.532 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.620 9.086 -6.788 1.00 0.00 C ATOM 1656 C GLN A 106 -5.168 9.540 -6.790 1.00 0.00 C ATOM 1657 O GLN A 106 -4.755 10.332 -7.637 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.415 9.869 -5.741 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.918 9.659 -5.836 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.508 10.236 -7.107 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.140 11.330 -7.535 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.429 9.501 -7.719 1.00 0.00 N ATOM 0 H GLN A 106 -7.189 7.409 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.051 9.283 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.078 9.576 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.197 10.931 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.136 8.592 -5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.401 10.120 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.704 8.600 -7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.861 9.838 -8.579 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.388 9.019 -5.847 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.976 9.359 -5.760 1.00 0.00 C ATOM 1673 C ILE A 107 -2.276 9.019 -7.071 1.00 0.00 C ATOM 1674 O ILE A 107 -1.478 9.800 -7.587 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.293 8.612 -4.597 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.924 9.023 -3.265 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.797 8.886 -4.591 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.549 8.118 -2.114 1.00 0.00 C ATOM 0 H ILE A 107 -4.711 8.363 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.898 10.430 -5.572 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.440 7.541 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.621 10.043 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.009 9.030 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.332 8.350 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.362 8.549 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.623 9.956 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.032 8.470 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.877 7.101 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.467 8.130 -1.979 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.608 7.852 -7.612 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.042 7.398 -8.879 1.00 0.00 C ATOM 1692 C ILE A 108 -2.232 8.454 -9.946 1.00 0.00 C ATOM 1693 O ILE A 108 -1.293 8.861 -10.630 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.728 6.109 -9.370 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.927 5.121 -8.222 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.925 5.481 -10.493 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.708 4.942 -7.344 1.00 0.00 C ATOM 0 H ILE A 108 -3.270 7.200 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.983 7.208 -8.707 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.714 6.371 -9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.759 5.460 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.210 4.153 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.421 4.571 -10.830 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.850 6.183 -11.324 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.925 5.237 -10.133 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.931 4.225 -6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.878 4.572 -7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.436 5.899 -6.900 1.00 0.00 H new ATOM 1709 N SER A 109 -3.472 8.880 -10.072 1.00 0.00 N ATOM 1710 CA SER A 109 -3.852 9.892 -11.052 1.00 0.00 C ATOM 1711 C SER A 109 -3.005 11.149 -10.905 1.00 0.00 C ATOM 1712 O SER A 109 -2.760 11.863 -11.877 1.00 0.00 O ATOM 1713 CB SER A 109 -5.334 10.241 -10.909 1.00 0.00 C ATOM 1714 OG SER A 109 -5.757 11.105 -11.949 1.00 0.00 O ATOM 0 H SER A 109 -4.247 8.539 -9.503 1.00 0.00 H new ATOM 0 HA SER A 109 -3.676 9.477 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.929 9.328 -10.926 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.507 10.717 -9.944 1.00 0.00 H new ATOM 0 HG SER A 109 -6.708 11.312 -11.836 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.562 11.414 -9.684 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.743 12.586 -9.407 1.00 0.00 C ATOM 1722 C ARG A 110 -0.340 12.414 -9.965 1.00 0.00 C ATOM 1723 O ARG A 110 0.272 13.368 -10.446 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.684 12.855 -7.902 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.041 13.137 -7.280 1.00 0.00 C ATOM 1726 CD ARG A 110 -2.930 13.373 -5.783 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.241 13.443 -5.141 1.00 0.00 N ATOM 1728 CZ ARG A 110 -4.440 13.260 -3.837 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.418 12.998 -3.033 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -5.665 13.339 -3.336 1.00 0.00 N ATOM 0 H ARG A 110 -2.756 10.833 -8.869 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.204 13.442 -9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.238 11.994 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.026 13.705 -7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.485 14.012 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.710 12.297 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.348 12.570 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.387 14.301 -5.602 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.052 13.644 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.473 12.936 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.577 12.859 -2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.455 13.540 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.818 13.199 -2.337 1.00 0.00 H new ATOM 1744 N TYR A 111 0.161 11.191 -9.902 1.00 0.00 N ATOM 1745 CA TYR A 111 1.495 10.885 -10.408 1.00 0.00 C ATOM 1746 C TYR A 111 1.498 10.863 -11.930 1.00 0.00 C ATOM 1747 O TYR A 111 2.500 11.182 -12.568 1.00 0.00 O ATOM 1748 CB TYR A 111 1.982 9.544 -9.860 1.00 0.00 C ATOM 1749 CG TYR A 111 2.500 9.622 -8.443 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.762 10.137 -8.173 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.729 9.182 -7.375 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.241 10.211 -6.879 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.201 9.252 -6.078 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.457 9.768 -5.835 1.00 0.00 C ATOM 1755 OH TYR A 111 3.928 9.841 -4.545 1.00 0.00 O ATOM 0 H TYR A 111 -0.334 10.392 -9.506 1.00 0.00 H new ATOM 0 HA TYR A 111 2.175 11.667 -10.070 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.163 8.826 -9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.772 9.162 -10.506 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.379 10.485 -8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.745 8.779 -7.561 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.224 10.614 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.589 8.904 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 111 3.252 9.489 -3.929 1.00 0.00 H new ATOM 1765 N LYS A 112 0.363 10.489 -12.502 1.00 0.00 N ATOM 1766 CA LYS A 112 0.214 10.426 -13.946 1.00 0.00 C ATOM 1767 C LYS A 112 0.078 11.824 -14.541 1.00 0.00 C ATOM 1768 O LYS A 112 0.502 12.076 -15.668 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.002 9.578 -14.319 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.807 8.092 -14.063 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.105 7.425 -13.631 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.135 7.435 -14.748 1.00 0.00 C ATOM 1773 NZ LYS A 112 -2.761 6.514 -15.857 1.00 0.00 N ATOM 0 H LYS A 112 -0.473 10.223 -11.982 1.00 0.00 H new ATOM 0 HA LYS A 112 1.110 9.962 -14.358 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.865 9.926 -13.752 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.231 9.730 -15.374 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.434 7.612 -14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.050 7.951 -13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.904 6.397 -13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.507 7.940 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.107 7.146 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.239 8.448 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.549 6.446 -16.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.918 6.881 -16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.555 5.571 -15.470 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.517 12.732 -13.771 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.710 14.107 -14.221 1.00 0.00 C ATOM 1789 C ASP A 113 0.628 14.769 -14.537 1.00 0.00 C ATOM 1790 O ASP A 113 0.741 15.538 -15.490 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.453 14.915 -13.156 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.878 14.436 -12.957 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -3.387 13.703 -13.831 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.486 14.796 -11.926 1.00 0.00 O ATOM 0 H ASP A 113 -0.873 12.540 -12.835 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.308 14.084 -15.132 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.914 14.847 -12.211 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.463 15.967 -13.443 1.00 0.00 H new ATOM 1799 N ALA A 114 1.639 14.463 -13.729 1.00 0.00 N ATOM 1800 CA ALA A 114 2.968 15.028 -13.922 1.00 0.00 C ATOM 1801 C ALA A 114 3.548 14.620 -15.272 1.00 0.00 C ATOM 1802 O ALA A 114 4.287 15.381 -15.897 1.00 0.00 O ATOM 1803 CB ALA A 114 3.894 14.593 -12.795 1.00 0.00 C ATOM 0 H ALA A 114 1.562 13.827 -12.935 1.00 0.00 H new ATOM 0 HA ALA A 114 2.880 16.114 -13.908 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.884 15.022 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.495 14.939 -11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.968 13.506 -12.784 1.00 0.00 H new ATOM 1809 N ASP A 115 3.207 13.416 -15.718 1.00 0.00 N ATOM 1810 CA ASP A 115 3.695 12.907 -16.994 1.00 0.00 C ATOM 1811 C ASP A 115 2.650 12.016 -17.659 1.00 0.00 C ATOM 1812 O ASP A 115 2.276 10.989 -17.054 1.00 0.00 O ATOM 1813 CB ASP A 115 4.993 12.125 -16.793 1.00 0.00 C ATOM 1814 CG ASP A 115 5.611 11.682 -18.105 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.334 12.490 -18.724 1.00 0.00 O ATOM 1816 OD2 ASP A 115 5.371 10.528 -18.514 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.213 12.353 -18.780 1.00 0.00 O ATOM 0 H ASP A 115 2.594 12.774 -15.215 1.00 0.00 H new ATOM 0 HA ASP A 115 3.890 13.759 -17.646 1.00 0.00 H new ATOM 0 HB2 ASP A 115 5.706 12.744 -16.249 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.794 11.250 -16.174 1.00 0.00 H new TER 1822 ASP A 115