USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1023 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 8 GLN : amide:sc= -1.57! C(o=-5.1!,f=-5.8!) USER MOD Set 1.2: A 124 TYR OH : rot 101:sc= -3.49! USER MOD Set 2.1: A 74 HIS : no HE2:sc= 0.0843 X(o=0.17,f=0) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -163:sc= 0.0874 (180deg=0) USER MOD Set 3.1: A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 3.2: A 123 LYS NZ :NH3+ 167:sc= -0.0206 (180deg=-0.144) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00586 K(o=-0.0059,f=-1.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -97:sc= 0.972 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -3:sc= 1.07 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -90:sc= -5.71! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.073 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.576 K(o=-0.58,f=-0.042) USER MOD Single : A 39 THR OG1 : rot 81:sc= 0.864 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -166:sc= 1.11 USER MOD Single : A 50 THR OG1 : rot -130:sc= 0.0815 USER MOD Single : A 54 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.7!) USER MOD Single : A 56 TYR OH : rot -177:sc= 0.447 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.339 X(o=-0.34,f=0.065) USER MOD Single : A 59 HIS : no HD1:sc= -22.2! C(o=-22!,f=-27!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 95:sc= 0.543 USER MOD Single : A 71 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 72 GLN : amide:sc= -4.36! C(o=-4.4!,f=-7.9!) USER MOD Single : A 76 HIS : no HD1:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 78 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.021) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 97 ASN : amide:sc= -0.313 K(o=-0.31,f=-2!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.615! USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.031) USER MOD Single : A 105 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.28) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 107 SER OG : rot 180:sc= -0.399 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 111 ASN : amide:sc= -0.739 K(o=-0.74,f=-7.1!) USER MOD Single : A 117 LYS NZ :NH3+ -162:sc= -3.23! (180deg=-3.52!) USER MOD Single : A 118 THR OG1 : rot 63:sc= -0.73! USER MOD Single : A 120 MET CE :methyl -129:sc= -9.23! (180deg=-14!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 16.050 5.338 -27.837 1.00 0.00 N ATOM 53 CA ASP A 4 14.967 6.316 -28.114 1.00 0.00 C ATOM 54 C ASP A 4 15.261 7.640 -27.409 1.00 0.00 C ATOM 55 O ASP A 4 16.052 7.714 -26.489 1.00 0.00 O ATOM 56 CB ASP A 4 13.644 5.760 -27.610 1.00 0.00 C ATOM 57 CG ASP A 4 12.501 6.278 -28.486 1.00 0.00 C ATOM 58 OD1 ASP A 4 12.048 7.384 -28.239 1.00 0.00 O ATOM 59 OD2 ASP A 4 12.101 5.563 -29.388 1.00 0.00 O ATOM 0 HA ASP A 4 14.910 6.489 -29.189 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.665 4.670 -27.629 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.484 6.057 -26.574 1.00 0.00 H new ATOM 64 N ILE A 5 14.624 8.685 -27.850 1.00 0.00 N ATOM 65 CA ILE A 5 14.837 10.029 -27.243 1.00 0.00 C ATOM 66 C ILE A 5 14.211 10.105 -25.845 1.00 0.00 C ATOM 67 O ILE A 5 14.661 10.849 -24.999 1.00 0.00 O ATOM 68 CB ILE A 5 14.192 11.078 -28.144 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.839 11.022 -29.527 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.393 12.469 -27.539 1.00 0.00 C ATOM 71 CD1 ILE A 5 14.057 10.054 -30.416 1.00 0.00 C ATOM 0 H ILE A 5 13.953 8.666 -28.618 1.00 0.00 H new ATOM 0 HA ILE A 5 15.908 10.210 -27.148 1.00 0.00 H new ATOM 0 HB ILE A 5 13.125 10.876 -28.232 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.851 12.015 -29.975 1.00 0.00 H new ATOM 0 HG13 ILE A 5 15.876 10.698 -29.442 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.932 13.217 -28.184 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.932 12.507 -26.552 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.459 12.676 -27.449 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.518 10.013 -31.403 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.068 9.060 -29.969 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.027 10.398 -30.510 1.00 0.00 H new ATOM 83 N THR A 6 13.161 9.368 -25.605 1.00 0.00 N ATOM 84 CA THR A 6 12.498 9.432 -24.271 1.00 0.00 C ATOM 85 C THR A 6 13.526 9.237 -23.158 1.00 0.00 C ATOM 86 O THR A 6 13.597 10.012 -22.225 1.00 0.00 O ATOM 87 CB THR A 6 11.436 8.333 -24.179 1.00 0.00 C ATOM 88 OG1 THR A 6 10.363 8.641 -25.057 1.00 0.00 O ATOM 89 CG2 THR A 6 10.915 8.242 -22.744 1.00 0.00 C ATOM 0 H THR A 6 12.734 8.726 -26.273 1.00 0.00 H new ATOM 0 HA THR A 6 12.031 10.410 -24.154 1.00 0.00 H new ATOM 0 HB THR A 6 11.876 7.377 -24.463 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.683 7.938 -25.001 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.159 7.459 -22.680 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.740 8.006 -22.072 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.474 9.196 -22.456 1.00 0.00 H new ATOM 97 N LEU A 7 14.317 8.208 -23.241 1.00 0.00 N ATOM 98 CA LEU A 7 15.325 7.968 -22.188 1.00 0.00 C ATOM 99 C LEU A 7 16.446 9.006 -22.275 1.00 0.00 C ATOM 100 O LEU A 7 16.861 9.552 -21.273 1.00 0.00 O ATOM 101 CB LEU A 7 15.877 6.554 -22.322 1.00 0.00 C ATOM 102 CG LEU A 7 14.728 5.539 -22.309 1.00 0.00 C ATOM 103 CD1 LEU A 7 14.223 5.300 -23.734 1.00 0.00 C ATOM 104 CD2 LEU A 7 15.226 4.219 -21.721 1.00 0.00 C ATOM 0 H LEU A 7 14.306 7.523 -23.997 1.00 0.00 H new ATOM 0 HA LEU A 7 14.854 8.067 -21.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.444 6.462 -23.249 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.567 6.345 -21.504 1.00 0.00 H new ATOM 0 HG LEU A 7 13.912 5.931 -21.702 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.407 4.578 -23.714 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.866 6.239 -24.156 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.036 4.912 -24.348 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.411 3.495 -21.710 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.044 3.835 -22.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.578 4.384 -20.703 1.00 0.00 H new ATOM 116 N GLN A 8 16.947 9.302 -23.448 1.00 0.00 N ATOM 117 CA GLN A 8 18.030 10.318 -23.531 1.00 0.00 C ATOM 118 C GLN A 8 17.579 11.568 -22.790 1.00 0.00 C ATOM 119 O GLN A 8 18.366 12.310 -22.236 1.00 0.00 O ATOM 120 CB GLN A 8 18.313 10.659 -24.995 1.00 0.00 C ATOM 121 CG GLN A 8 19.283 9.631 -25.581 1.00 0.00 C ATOM 122 CD GLN A 8 20.076 10.271 -26.720 1.00 0.00 C ATOM 123 OE1 GLN A 8 21.291 10.286 -26.697 1.00 0.00 O ATOM 124 NE2 GLN A 8 19.436 10.804 -27.725 1.00 0.00 N ATOM 0 H GLN A 8 16.657 8.890 -24.335 1.00 0.00 H new ATOM 0 HA GLN A 8 18.942 9.926 -23.081 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.384 10.663 -25.564 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.738 11.660 -25.071 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.962 9.273 -24.807 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.733 8.764 -25.948 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.416 10.792 -27.745 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.956 11.233 -28.491 1.00 0.00 H new ATOM 133 N GLU A 9 16.306 11.787 -22.780 1.00 0.00 N ATOM 134 CA GLU A 9 15.740 12.974 -22.082 1.00 0.00 C ATOM 135 C GLU A 9 15.854 12.794 -20.566 1.00 0.00 C ATOM 136 O GLU A 9 16.270 13.689 -19.858 1.00 0.00 O ATOM 137 CB GLU A 9 14.267 13.132 -22.465 1.00 0.00 C ATOM 138 CG GLU A 9 14.153 14.023 -23.703 1.00 0.00 C ATOM 139 CD GLU A 9 12.795 13.798 -24.372 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.807 14.268 -23.834 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.767 13.159 -25.411 1.00 0.00 O ATOM 0 H GLU A 9 15.615 11.187 -23.232 1.00 0.00 H new ATOM 0 HA GLU A 9 16.296 13.863 -22.379 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.826 12.156 -22.665 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.710 13.570 -21.637 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.262 15.070 -23.421 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.957 13.796 -24.403 1.00 0.00 H new ATOM 148 N ILE A 10 15.470 11.652 -20.059 1.00 0.00 N ATOM 149 CA ILE A 10 15.541 11.435 -18.585 1.00 0.00 C ATOM 150 C ILE A 10 16.985 11.532 -18.102 1.00 0.00 C ATOM 151 O ILE A 10 17.277 12.238 -17.167 1.00 0.00 O ATOM 152 CB ILE A 10 14.994 10.045 -18.244 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.812 9.706 -19.159 1.00 0.00 C ATOM 154 CG2 ILE A 10 14.532 10.024 -16.787 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.890 10.919 -19.293 1.00 0.00 C ATOM 0 H ILE A 10 15.112 10.864 -20.599 1.00 0.00 H new ATOM 0 HA ILE A 10 14.945 12.203 -18.091 1.00 0.00 H new ATOM 0 HB ILE A 10 15.782 9.306 -18.391 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.176 9.405 -20.141 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.257 8.860 -18.752 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.143 9.036 -16.543 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.375 10.253 -16.135 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.749 10.768 -16.643 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.053 10.669 -19.945 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.513 11.200 -18.310 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.446 11.753 -19.720 1.00 0.00 H new ATOM 167 N ILE A 11 17.892 10.830 -18.717 1.00 0.00 N ATOM 168 CA ILE A 11 19.306 10.895 -18.255 1.00 0.00 C ATOM 169 C ILE A 11 19.743 12.351 -18.119 1.00 0.00 C ATOM 170 O ILE A 11 20.574 12.683 -17.298 1.00 0.00 O ATOM 171 CB ILE A 11 20.211 10.170 -19.252 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.755 8.710 -19.375 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.658 10.220 -18.754 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.857 7.873 -20.033 1.00 0.00 C ATOM 0 H ILE A 11 17.719 10.218 -19.514 1.00 0.00 H new ATOM 0 HA ILE A 11 19.386 10.409 -17.283 1.00 0.00 H new ATOM 0 HB ILE A 11 20.150 10.653 -20.227 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.521 8.309 -18.389 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.841 8.654 -19.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.305 9.704 -19.463 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.976 11.259 -18.663 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.725 9.733 -17.781 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.526 6.838 -20.117 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.070 8.268 -21.026 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.760 7.917 -19.424 1.00 0.00 H new ATOM 186 N LYS A 12 19.191 13.227 -18.906 1.00 0.00 N ATOM 187 CA LYS A 12 19.580 14.660 -18.798 1.00 0.00 C ATOM 188 C LYS A 12 19.144 15.202 -17.433 1.00 0.00 C ATOM 189 O LYS A 12 19.897 15.867 -16.748 1.00 0.00 O ATOM 190 CB LYS A 12 18.895 15.461 -19.907 1.00 0.00 C ATOM 191 CG LYS A 12 19.562 16.834 -20.028 1.00 0.00 C ATOM 192 CD LYS A 12 20.918 16.684 -20.719 1.00 0.00 C ATOM 193 CE LYS A 12 20.883 17.395 -22.073 1.00 0.00 C ATOM 194 NZ LYS A 12 21.669 16.609 -23.067 1.00 0.00 N ATOM 0 H LYS A 12 18.490 13.016 -19.617 1.00 0.00 H new ATOM 0 HA LYS A 12 20.661 14.753 -18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.965 14.926 -20.854 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.834 15.578 -19.684 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.925 17.511 -20.597 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.692 17.275 -19.040 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.705 17.107 -20.095 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.153 15.629 -20.857 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.853 17.504 -22.412 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.296 18.399 -21.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.646 17.092 -23.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.654 16.527 -22.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.256 15.659 -23.163 1.00 0.00 H new ATOM 208 N THR A 13 17.928 14.932 -17.037 1.00 0.00 N ATOM 209 CA THR A 13 17.433 15.437 -15.723 1.00 0.00 C ATOM 210 C THR A 13 18.122 14.704 -14.567 1.00 0.00 C ATOM 211 O THR A 13 18.582 15.311 -13.621 1.00 0.00 O ATOM 212 CB THR A 13 15.916 15.219 -15.647 1.00 0.00 C ATOM 213 OG1 THR A 13 15.264 16.171 -16.475 1.00 0.00 O ATOM 214 CG2 THR A 13 15.439 15.385 -14.203 1.00 0.00 C ATOM 0 H THR A 13 17.254 14.381 -17.569 1.00 0.00 H new ATOM 0 HA THR A 13 17.663 16.499 -15.638 1.00 0.00 H new ATOM 0 HB THR A 13 15.678 14.211 -15.988 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.295 16.034 -16.430 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.361 15.229 -14.156 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.940 14.654 -13.568 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.676 16.390 -13.855 1.00 0.00 H new ATOM 222 N LEU A 14 18.188 13.405 -14.631 1.00 0.00 N ATOM 223 CA LEU A 14 18.834 12.629 -13.540 1.00 0.00 C ATOM 224 C LEU A 14 20.308 13.022 -13.443 1.00 0.00 C ATOM 225 O LEU A 14 20.912 12.965 -12.390 1.00 0.00 O ATOM 226 CB LEU A 14 18.701 11.141 -13.867 1.00 0.00 C ATOM 227 CG LEU A 14 19.265 10.293 -12.731 1.00 0.00 C ATOM 228 CD1 LEU A 14 18.648 10.738 -11.403 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.913 8.825 -12.994 1.00 0.00 C ATOM 0 H LEU A 14 17.819 12.844 -15.399 1.00 0.00 H new ATOM 0 HA LEU A 14 18.355 12.839 -12.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.653 10.891 -14.030 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.230 10.917 -14.793 1.00 0.00 H new ATOM 0 HG LEU A 14 20.347 10.413 -12.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.052 10.131 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.886 11.787 -11.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.566 10.614 -11.445 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.310 8.206 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.830 8.713 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.349 8.511 -13.942 1.00 0.00 H new ATOM 241 N ASN A 15 20.889 13.421 -14.540 1.00 0.00 N ATOM 242 CA ASN A 15 22.325 13.821 -14.530 1.00 0.00 C ATOM 243 C ASN A 15 22.495 15.157 -13.776 1.00 0.00 C ATOM 244 O ASN A 15 23.379 15.292 -12.951 1.00 0.00 O ATOM 245 CB ASN A 15 22.807 13.994 -15.971 1.00 0.00 C ATOM 246 CG ASN A 15 23.591 12.751 -16.399 1.00 0.00 C ATOM 247 OD1 ASN A 15 23.068 11.654 -16.384 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.832 12.877 -16.783 1.00 0.00 N ATOM 0 H ASN A 15 20.429 13.488 -15.448 1.00 0.00 H new ATOM 0 HA ASN A 15 22.910 13.049 -14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.956 14.147 -16.635 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.437 14.880 -16.051 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.363 12.055 -17.071 1.00 0.00 H new ATOM 0 HD22 ASN A 15 25.271 13.798 -16.796 1.00 0.00 H new ATOM 255 N SER A 16 21.679 16.163 -14.056 1.00 0.00 N ATOM 256 CA SER A 16 21.844 17.467 -13.352 1.00 0.00 C ATOM 257 C SER A 16 21.866 17.260 -11.834 1.00 0.00 C ATOM 258 O SER A 16 22.728 17.770 -11.144 1.00 0.00 O ATOM 259 CB SER A 16 20.682 18.391 -13.720 1.00 0.00 C ATOM 260 OG SER A 16 21.102 19.743 -13.620 1.00 0.00 O ATOM 0 H SER A 16 20.919 16.127 -14.735 1.00 0.00 H new ATOM 0 HA SER A 16 22.789 17.915 -13.659 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.342 18.179 -14.734 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.837 18.212 -13.056 1.00 0.00 H new ATOM 0 HG SER A 16 20.358 20.335 -13.857 1.00 0.00 H new ATOM 266 N LEU A 17 20.919 16.539 -11.301 1.00 0.00 N ATOM 267 CA LEU A 17 20.889 16.330 -9.823 1.00 0.00 C ATOM 268 C LEU A 17 22.240 15.804 -9.329 1.00 0.00 C ATOM 269 O LEU A 17 22.636 16.059 -8.211 1.00 0.00 O ATOM 270 CB LEU A 17 19.775 15.336 -9.464 1.00 0.00 C ATOM 271 CG LEU A 17 18.455 15.810 -10.083 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.275 15.042 -9.468 1.00 0.00 C ATOM 273 CD2 LEU A 17 18.277 17.307 -9.812 1.00 0.00 C ATOM 0 H LEU A 17 20.167 16.087 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 17 20.691 17.285 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.026 14.341 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.675 15.259 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 17 18.480 15.626 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.343 15.387 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.396 13.976 -9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.248 15.217 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.339 17.647 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.259 17.482 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.106 17.858 -10.256 1.00 0.00 H new ATOM 285 N THR A 18 22.956 15.076 -10.137 1.00 0.00 N ATOM 286 CA THR A 18 24.276 14.557 -9.673 1.00 0.00 C ATOM 287 C THR A 18 25.187 15.728 -9.336 1.00 0.00 C ATOM 288 O THR A 18 25.916 15.713 -8.365 1.00 0.00 O ATOM 289 CB THR A 18 24.912 13.699 -10.768 1.00 0.00 C ATOM 290 OG1 THR A 18 25.374 14.539 -11.817 1.00 0.00 O ATOM 291 CG2 THR A 18 23.877 12.716 -11.318 1.00 0.00 C ATOM 0 H THR A 18 22.691 14.819 -11.088 1.00 0.00 H new ATOM 0 HA THR A 18 24.132 13.943 -8.784 1.00 0.00 H new ATOM 0 HB THR A 18 25.751 13.142 -10.351 1.00 0.00 H new ATOM 0 HG1 THR A 18 24.702 14.572 -12.530 1.00 0.00 H new ATOM 0 HG21 THR A 18 24.333 12.106 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 18 23.524 12.071 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 18 23.036 13.269 -11.735 1.00 0.00 H new ATOM 299 N GLU A 19 25.133 16.746 -10.129 1.00 0.00 N ATOM 300 CA GLU A 19 25.974 17.947 -9.868 1.00 0.00 C ATOM 301 C GLU A 19 25.478 18.615 -8.594 1.00 0.00 C ATOM 302 O GLU A 19 26.223 19.226 -7.855 1.00 0.00 O ATOM 303 CB GLU A 19 25.868 18.922 -11.043 1.00 0.00 C ATOM 304 CG GLU A 19 26.193 18.188 -12.346 1.00 0.00 C ATOM 305 CD GLU A 19 27.625 17.654 -12.288 1.00 0.00 C ATOM 306 OE1 GLU A 19 28.529 18.397 -12.634 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.794 16.510 -11.899 1.00 0.00 O ATOM 0 H GLU A 19 24.539 16.806 -10.956 1.00 0.00 H new ATOM 0 HA GLU A 19 27.018 17.654 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.864 19.343 -11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 19 26.556 19.755 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.493 17.366 -12.497 1.00 0.00 H new ATOM 0 HG3 GLU A 19 26.080 18.863 -13.194 1.00 0.00 H new ATOM 314 N GLN A 20 24.219 18.472 -8.339 1.00 0.00 N ATOM 315 CA GLN A 20 23.620 19.061 -7.109 1.00 0.00 C ATOM 316 C GLN A 20 23.220 17.920 -6.173 1.00 0.00 C ATOM 317 O GLN A 20 22.181 17.310 -6.331 1.00 0.00 O ATOM 318 CB GLN A 20 22.380 19.880 -7.482 1.00 0.00 C ATOM 319 CG GLN A 20 22.803 21.096 -8.308 1.00 0.00 C ATOM 320 CD GLN A 20 21.631 22.074 -8.414 1.00 0.00 C ATOM 321 OE1 GLN A 20 21.278 22.723 -7.449 1.00 0.00 O ATOM 322 NE2 GLN A 20 21.010 22.209 -9.553 1.00 0.00 N ATOM 0 H GLN A 20 23.564 17.966 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 20 24.340 19.715 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.682 19.265 -8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.859 20.202 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 20 23.658 21.586 -7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.119 20.781 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.306 21.664 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.228 22.859 -9.634 1.00 0.00 H new ATOM 331 N LYS A 21 24.040 17.618 -5.207 1.00 0.00 N ATOM 332 CA LYS A 21 23.713 16.506 -4.275 1.00 0.00 C ATOM 333 C LYS A 21 24.316 16.817 -2.906 1.00 0.00 C ATOM 334 O LYS A 21 25.234 16.162 -2.453 1.00 0.00 O ATOM 335 CB LYS A 21 24.302 15.202 -4.822 1.00 0.00 C ATOM 336 CG LYS A 21 25.830 15.282 -4.797 1.00 0.00 C ATOM 337 CD LYS A 21 26.390 14.122 -3.974 1.00 0.00 C ATOM 338 CE LYS A 21 27.712 13.653 -4.585 1.00 0.00 C ATOM 339 NZ LYS A 21 28.139 12.383 -3.933 1.00 0.00 N ATOM 0 H LYS A 21 24.923 18.094 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 21 22.633 16.398 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.962 14.357 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.953 15.032 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 21 26.223 15.244 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 21 26.148 16.232 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 21 26.546 14.436 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.675 13.299 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 21 27.595 13.502 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 21 28.478 14.417 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 29.038 12.064 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 28.266 12.542 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 27.412 11.655 -4.082 1.00 0.00 H new ATOM 353 N THR A 22 23.810 17.824 -2.252 1.00 0.00 N ATOM 354 CA THR A 22 24.354 18.198 -0.910 1.00 0.00 C ATOM 355 C THR A 22 23.309 18.993 -0.117 1.00 0.00 C ATOM 356 O THR A 22 22.760 18.514 0.855 1.00 0.00 O ATOM 357 CB THR A 22 25.610 19.053 -1.095 1.00 0.00 C ATOM 358 OG1 THR A 22 26.660 18.244 -1.602 1.00 0.00 O ATOM 359 CG2 THR A 22 26.024 19.650 0.250 1.00 0.00 C ATOM 0 H THR A 22 23.043 18.407 -2.586 1.00 0.00 H new ATOM 0 HA THR A 22 24.600 17.290 -0.360 1.00 0.00 H new ATOM 0 HB THR A 22 25.402 19.860 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.356 17.314 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.918 20.259 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.216 20.271 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.233 18.846 0.956 1.00 0.00 H new ATOM 367 N LEU A 23 23.049 20.212 -0.517 1.00 0.00 N ATOM 368 CA LEU A 23 22.060 21.066 0.204 1.00 0.00 C ATOM 369 C LEU A 23 20.889 20.243 0.729 1.00 0.00 C ATOM 370 O LEU A 23 20.284 20.568 1.731 1.00 0.00 O ATOM 371 CB LEU A 23 21.541 22.128 -0.760 1.00 0.00 C ATOM 372 CG LEU A 23 20.913 21.441 -1.974 1.00 0.00 C ATOM 373 CD1 LEU A 23 19.390 21.533 -1.886 1.00 0.00 C ATOM 374 CD2 LEU A 23 21.394 22.125 -3.255 1.00 0.00 C ATOM 0 H LEU A 23 23.487 20.657 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 23 22.554 21.527 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 23 20.804 22.759 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.356 22.779 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 23 21.211 20.393 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.945 21.043 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 23 19.048 21.041 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 23 19.089 22.581 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 23 20.946 21.635 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 23 21.099 23.174 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 23 22.480 22.054 -3.320 1.00 0.00 H new ATOM 386 N CYS A 24 20.568 19.194 0.060 1.00 0.00 N ATOM 387 CA CYS A 24 19.424 18.344 0.507 1.00 0.00 C ATOM 388 C CYS A 24 19.361 17.059 -0.325 1.00 0.00 C ATOM 389 O CYS A 24 19.570 15.980 0.193 1.00 0.00 O ATOM 390 CB CYS A 24 18.129 19.135 0.339 1.00 0.00 C ATOM 391 SG CYS A 24 16.702 18.040 0.509 1.00 0.00 S ATOM 0 H CYS A 24 21.043 18.874 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 24 19.560 18.071 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 24 18.079 19.928 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 24 18.113 19.616 -0.639 1.00 0.00 H new ATOM 396 N THR A 25 19.057 17.172 -1.600 1.00 0.00 N ATOM 397 CA THR A 25 18.966 15.963 -2.484 1.00 0.00 C ATOM 398 C THR A 25 19.921 14.877 -1.992 1.00 0.00 C ATOM 399 O THR A 25 20.972 15.161 -1.454 1.00 0.00 O ATOM 400 CB THR A 25 19.339 16.351 -3.920 1.00 0.00 C ATOM 401 OG1 THR A 25 19.894 15.224 -4.583 1.00 0.00 O ATOM 402 CG2 THR A 25 20.363 17.488 -3.897 1.00 0.00 C ATOM 0 H THR A 25 18.867 18.058 -2.069 1.00 0.00 H new ATOM 0 HA THR A 25 17.946 15.581 -2.456 1.00 0.00 H new ATOM 0 HB THR A 25 18.446 16.683 -4.450 1.00 0.00 H new ATOM 0 HG1 THR A 25 20.132 15.469 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.626 17.761 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 25 19.936 18.352 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 25 21.258 17.161 -3.367 1.00 0.00 H new ATOM 410 N GLU A 26 19.558 13.637 -2.167 1.00 0.00 N ATOM 411 CA GLU A 26 20.434 12.524 -1.703 1.00 0.00 C ATOM 412 C GLU A 26 20.268 12.331 -0.178 1.00 0.00 C ATOM 413 O GLU A 26 21.176 11.890 0.499 1.00 0.00 O ATOM 414 CB GLU A 26 21.901 12.859 -2.069 1.00 0.00 C ATOM 415 CG GLU A 26 22.688 13.361 -0.850 1.00 0.00 C ATOM 416 CD GLU A 26 23.789 14.314 -1.307 1.00 0.00 C ATOM 417 OE1 GLU A 26 24.512 13.960 -2.222 1.00 0.00 O ATOM 418 OE2 GLU A 26 23.890 15.383 -0.730 1.00 0.00 O ATOM 0 H GLU A 26 18.689 13.345 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 26 20.153 11.591 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.387 11.972 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.917 13.618 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.018 13.869 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.123 12.518 -0.313 1.00 0.00 H new ATOM 425 N LEU A 27 19.129 12.668 0.383 1.00 0.00 N ATOM 426 CA LEU A 27 18.970 12.514 1.850 1.00 0.00 C ATOM 427 C LEU A 27 18.059 11.326 2.199 1.00 0.00 C ATOM 428 O LEU A 27 17.249 10.887 1.409 1.00 0.00 O ATOM 429 CB LEU A 27 18.465 13.838 2.433 1.00 0.00 C ATOM 430 CG LEU A 27 16.999 13.785 2.809 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.855 13.243 4.229 1.00 0.00 C ATOM 432 CD2 LEU A 27 16.426 15.209 2.752 1.00 0.00 C ATOM 0 H LEU A 27 18.317 13.038 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 27 19.935 12.283 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.054 14.091 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 27 18.622 14.635 1.706 1.00 0.00 H new ATOM 0 HG LEU A 27 16.463 13.135 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.800 13.205 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.279 12.240 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.384 13.896 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.370 15.187 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.965 15.847 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.536 15.605 1.742 1.00 0.00 H new ATOM 444 N THR A 28 18.248 10.800 3.385 1.00 0.00 N ATOM 445 CA THR A 28 17.482 9.602 3.880 1.00 0.00 C ATOM 446 C THR A 28 16.201 9.325 3.084 1.00 0.00 C ATOM 447 O THR A 28 15.449 10.214 2.740 1.00 0.00 O ATOM 448 CB THR A 28 17.131 9.785 5.355 1.00 0.00 C ATOM 449 OG1 THR A 28 17.040 11.166 5.664 1.00 0.00 O ATOM 450 CG2 THR A 28 18.219 9.138 6.211 1.00 0.00 C ATOM 0 H THR A 28 18.925 11.162 4.057 1.00 0.00 H new ATOM 0 HA THR A 28 18.135 8.740 3.742 1.00 0.00 H new ATOM 0 HB THR A 28 16.170 9.313 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.918 11.496 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.975 9.265 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.281 8.075 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.178 9.612 6.001 1.00 0.00 H new ATOM 458 N VAL A 29 15.961 8.065 2.810 1.00 0.00 N ATOM 459 CA VAL A 29 14.744 7.643 2.054 1.00 0.00 C ATOM 460 C VAL A 29 14.519 6.148 2.270 1.00 0.00 C ATOM 461 O VAL A 29 15.239 5.496 3.000 1.00 0.00 O ATOM 462 CB VAL A 29 14.940 7.863 0.555 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.614 8.236 -0.113 1.00 0.00 C ATOM 464 CG2 VAL A 29 15.978 8.955 0.297 1.00 0.00 C ATOM 0 H VAL A 29 16.572 7.297 3.086 1.00 0.00 H new ATOM 0 HA VAL A 29 13.897 8.231 2.409 1.00 0.00 H new ATOM 0 HB VAL A 29 15.302 6.930 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.775 8.389 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.893 7.431 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.229 9.154 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.101 9.094 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.643 9.889 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.932 8.662 0.736 1.00 0.00 H new ATOM 474 N THR A 30 13.536 5.600 1.614 1.00 0.00 N ATOM 475 CA THR A 30 13.270 4.143 1.748 1.00 0.00 C ATOM 476 C THR A 30 14.448 3.375 1.148 1.00 0.00 C ATOM 477 O THR A 30 15.021 3.784 0.158 1.00 0.00 O ATOM 478 CB THR A 30 11.988 3.786 0.991 1.00 0.00 C ATOM 479 OG1 THR A 30 10.898 4.519 1.534 1.00 0.00 O ATOM 480 CG2 THR A 30 11.713 2.286 1.128 1.00 0.00 C ATOM 0 H THR A 30 12.904 6.100 0.989 1.00 0.00 H new ATOM 0 HA THR A 30 13.150 3.880 2.799 1.00 0.00 H new ATOM 0 HB THR A 30 12.107 4.038 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.077 4.292 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.800 2.033 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.548 1.723 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.594 2.033 2.181 1.00 0.00 H new ATOM 488 N ASP A 31 14.827 2.278 1.740 1.00 0.00 N ATOM 489 CA ASP A 31 15.982 1.509 1.197 1.00 0.00 C ATOM 490 C ASP A 31 15.489 0.392 0.275 1.00 0.00 C ATOM 491 O ASP A 31 15.331 -0.740 0.688 1.00 0.00 O ATOM 492 CB ASP A 31 16.772 0.897 2.357 1.00 0.00 C ATOM 493 CG ASP A 31 17.851 -0.036 1.802 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.511 -1.142 1.420 1.00 0.00 O ATOM 495 OD2 ASP A 31 19.001 0.373 1.771 1.00 0.00 O ATOM 0 H ASP A 31 14.390 1.881 2.572 1.00 0.00 H new ATOM 0 HA ASP A 31 16.621 2.183 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.230 1.685 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.102 0.345 3.016 1.00 0.00 H new ATOM 500 N ILE A 32 15.263 0.690 -0.978 1.00 0.00 N ATOM 501 CA ILE A 32 14.804 -0.372 -1.918 1.00 0.00 C ATOM 502 C ILE A 32 16.039 -0.983 -2.585 1.00 0.00 C ATOM 503 O ILE A 32 17.042 -1.216 -1.940 1.00 0.00 O ATOM 504 CB ILE A 32 13.864 0.240 -2.982 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.644 1.230 -3.857 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.718 0.976 -2.288 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.264 1.022 -5.330 1.00 0.00 C ATOM 0 H ILE A 32 15.376 1.617 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 32 14.253 -1.144 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 32 13.463 -0.558 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.421 2.253 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.716 1.084 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.055 1.407 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.158 0.275 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.123 1.771 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.818 1.725 -5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.509 0.003 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.195 1.190 -5.457 1.00 0.00 H new ATOM 519 N PHE A 33 15.994 -1.208 -3.870 1.00 0.00 N ATOM 520 CA PHE A 33 17.173 -1.764 -4.576 1.00 0.00 C ATOM 521 C PHE A 33 17.864 -2.832 -3.714 1.00 0.00 C ATOM 522 O PHE A 33 19.048 -3.068 -3.844 1.00 0.00 O ATOM 523 CB PHE A 33 18.112 -0.600 -4.805 1.00 0.00 C ATOM 524 CG PHE A 33 17.628 0.209 -5.980 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.350 -0.415 -7.200 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.450 1.589 -5.841 1.00 0.00 C ATOM 527 CE1 PHE A 33 16.896 0.344 -8.285 1.00 0.00 C ATOM 528 CE2 PHE A 33 16.995 2.350 -6.923 1.00 0.00 C ATOM 529 CZ PHE A 33 16.718 1.728 -8.145 1.00 0.00 C ATOM 0 H PHE A 33 15.183 -1.028 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 33 16.882 -2.239 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.158 0.025 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.122 -0.965 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.485 -1.481 -7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.664 2.068 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.683 -0.136 -9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.858 3.416 -6.815 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.367 2.314 -8.981 1.00 0.00 H new ATOM 539 N ALA A 34 17.139 -3.479 -2.837 1.00 0.00 N ATOM 540 CA ALA A 34 17.766 -4.521 -1.977 1.00 0.00 C ATOM 541 C ALA A 34 16.708 -5.555 -1.596 1.00 0.00 C ATOM 542 O ALA A 34 16.333 -5.683 -0.447 1.00 0.00 O ATOM 543 CB ALA A 34 18.329 -3.872 -0.711 1.00 0.00 C ATOM 0 H ALA A 34 16.142 -3.329 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 34 18.577 -5.007 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.787 -4.636 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.079 -3.130 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.522 -3.387 -0.161 1.00 0.00 H new ATOM 549 N ALA A 35 16.220 -6.287 -2.556 1.00 0.00 N ATOM 550 CA ALA A 35 15.182 -7.312 -2.268 1.00 0.00 C ATOM 551 C ALA A 35 14.771 -7.950 -3.588 1.00 0.00 C ATOM 552 O ALA A 35 13.810 -7.546 -4.214 1.00 0.00 O ATOM 553 CB ALA A 35 13.968 -6.647 -1.616 1.00 0.00 C ATOM 0 H ALA A 35 16.498 -6.218 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 35 15.574 -8.068 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.209 -7.401 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.272 -6.169 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.557 -5.897 -2.292 1.00 0.00 H new ATOM 559 N SER A 36 15.504 -8.929 -4.030 1.00 0.00 N ATOM 560 CA SER A 36 15.169 -9.573 -5.326 1.00 0.00 C ATOM 561 C SER A 36 15.400 -8.559 -6.449 1.00 0.00 C ATOM 562 O SER A 36 14.550 -8.348 -7.291 1.00 0.00 O ATOM 563 CB SER A 36 13.702 -10.006 -5.318 1.00 0.00 C ATOM 564 OG SER A 36 13.357 -10.494 -4.031 1.00 0.00 O ATOM 0 H SER A 36 16.320 -9.311 -3.551 1.00 0.00 H new ATOM 0 HA SER A 36 15.797 -10.450 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.062 -9.164 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.537 -10.780 -6.068 1.00 0.00 H new ATOM 0 HG SER A 36 12.417 -10.769 -4.027 1.00 0.00 H new ATOM 570 N LYS A 37 16.545 -7.924 -6.467 1.00 0.00 N ATOM 571 CA LYS A 37 16.828 -6.922 -7.535 1.00 0.00 C ATOM 572 C LYS A 37 16.855 -7.618 -8.893 1.00 0.00 C ATOM 573 O LYS A 37 16.856 -6.985 -9.930 1.00 0.00 O ATOM 574 CB LYS A 37 18.181 -6.258 -7.272 1.00 0.00 C ATOM 575 CG LYS A 37 17.994 -4.743 -7.153 1.00 0.00 C ATOM 576 CD LYS A 37 19.345 -4.045 -7.331 1.00 0.00 C ATOM 577 CE LYS A 37 20.398 -4.734 -6.459 1.00 0.00 C ATOM 578 NZ LYS A 37 21.736 -4.141 -6.734 1.00 0.00 N ATOM 0 H LYS A 37 17.294 -8.057 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 37 16.047 -6.161 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.620 -6.654 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.874 -6.487 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.290 -4.393 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.569 -4.494 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.647 -4.077 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.262 -2.994 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.146 -4.617 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.413 -5.804 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 22.451 -4.609 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 21.976 -4.275 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.717 -3.124 -6.515 1.00 0.00 H new ATOM 592 N ASN A 38 16.869 -8.915 -8.890 1.00 0.00 N ATOM 593 CA ASN A 38 16.888 -9.666 -10.176 1.00 0.00 C ATOM 594 C ASN A 38 15.613 -9.346 -10.959 1.00 0.00 C ATOM 595 O ASN A 38 15.506 -9.622 -12.139 1.00 0.00 O ATOM 596 CB ASN A 38 16.950 -11.169 -9.892 1.00 0.00 C ATOM 597 CG ASN A 38 17.802 -11.856 -10.961 1.00 0.00 C ATOM 598 OD1 ASN A 38 18.396 -12.885 -10.712 1.00 0.00 O ATOM 599 ND2 ASN A 38 17.887 -11.326 -12.152 1.00 0.00 N ATOM 0 H ASN A 38 16.868 -9.494 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 38 17.762 -9.375 -10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.375 -11.346 -8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.945 -11.591 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.452 -11.777 -12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.388 -10.461 -12.362 1.00 0.00 H new ATOM 606 N THR A 39 14.646 -8.760 -10.308 1.00 0.00 N ATOM 607 CA THR A 39 13.375 -8.414 -11.001 1.00 0.00 C ATOM 608 C THR A 39 13.665 -7.393 -12.108 1.00 0.00 C ATOM 609 O THR A 39 14.505 -6.528 -11.951 1.00 0.00 O ATOM 610 CB THR A 39 12.406 -7.809 -9.979 1.00 0.00 C ATOM 611 OG1 THR A 39 12.223 -8.722 -8.907 1.00 0.00 O ATOM 612 CG2 THR A 39 11.058 -7.526 -10.643 1.00 0.00 C ATOM 0 H THR A 39 14.683 -8.505 -9.321 1.00 0.00 H new ATOM 0 HA THR A 39 12.932 -9.306 -11.443 1.00 0.00 H new ATOM 0 HB THR A 39 12.820 -6.875 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.978 -8.652 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.375 -7.096 -9.911 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.198 -6.824 -11.465 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.639 -8.456 -11.028 1.00 0.00 H new ATOM 620 N THR A 40 12.983 -7.483 -13.225 1.00 0.00 N ATOM 621 CA THR A 40 13.227 -6.516 -14.335 1.00 0.00 C ATOM 622 C THR A 40 13.437 -5.110 -13.771 1.00 0.00 C ATOM 623 O THR A 40 12.865 -4.741 -12.767 1.00 0.00 O ATOM 624 CB THR A 40 12.021 -6.512 -15.278 1.00 0.00 C ATOM 625 OG1 THR A 40 10.856 -6.145 -14.552 1.00 0.00 O ATOM 626 CG2 THR A 40 11.832 -7.905 -15.879 1.00 0.00 C ATOM 0 H THR A 40 12.268 -8.186 -13.413 1.00 0.00 H new ATOM 0 HA THR A 40 14.121 -6.817 -14.881 1.00 0.00 H new ATOM 0 HB THR A 40 12.191 -5.795 -16.081 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.083 -6.140 -15.154 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.973 -7.898 -16.550 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.726 -8.185 -16.437 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.663 -8.626 -15.080 1.00 0.00 H new ATOM 634 N GLU A 41 14.258 -4.324 -14.413 1.00 0.00 N ATOM 635 CA GLU A 41 14.502 -2.942 -13.917 1.00 0.00 C ATOM 636 C GLU A 41 13.167 -2.203 -13.823 1.00 0.00 C ATOM 637 O GLU A 41 12.948 -1.406 -12.933 1.00 0.00 O ATOM 638 CB GLU A 41 15.429 -2.203 -14.885 1.00 0.00 C ATOM 639 CG GLU A 41 15.021 -2.519 -16.327 1.00 0.00 C ATOM 640 CD GLU A 41 16.215 -3.117 -17.075 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.328 -2.697 -16.805 1.00 0.00 O ATOM 642 OE2 GLU A 41 15.995 -3.984 -17.903 1.00 0.00 O ATOM 0 H GLU A 41 14.769 -4.580 -15.258 1.00 0.00 H new ATOM 0 HA GLU A 41 14.971 -2.983 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.375 -1.129 -14.708 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.463 -2.503 -14.715 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.186 -3.219 -16.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.682 -1.612 -16.827 1.00 0.00 H new ATOM 649 N LYS A 42 12.271 -2.464 -14.735 1.00 0.00 N ATOM 650 CA LYS A 42 10.948 -1.783 -14.698 1.00 0.00 C ATOM 651 C LYS A 42 10.316 -1.976 -13.320 1.00 0.00 C ATOM 652 O LYS A 42 9.652 -1.098 -12.804 1.00 0.00 O ATOM 653 CB LYS A 42 10.034 -2.388 -15.766 1.00 0.00 C ATOM 654 CG LYS A 42 10.269 -1.676 -17.101 1.00 0.00 C ATOM 655 CD LYS A 42 10.249 -2.699 -18.237 1.00 0.00 C ATOM 656 CE LYS A 42 9.486 -2.123 -19.432 1.00 0.00 C ATOM 657 NZ LYS A 42 9.786 -2.931 -20.647 1.00 0.00 N ATOM 0 H LYS A 42 12.399 -3.121 -15.505 1.00 0.00 H new ATOM 0 HA LYS A 42 11.081 -0.719 -14.893 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.234 -3.454 -15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.991 -2.288 -15.467 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.499 -0.922 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.226 -1.155 -17.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.268 -2.952 -18.531 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.776 -3.622 -17.901 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.415 -2.131 -19.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.772 -1.084 -19.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.309 -2.511 -21.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.813 -2.943 -20.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.446 -3.904 -20.509 1.00 0.00 H new ATOM 671 N GLU A 43 10.514 -3.118 -12.717 1.00 0.00 N ATOM 672 CA GLU A 43 9.917 -3.356 -11.371 1.00 0.00 C ATOM 673 C GLU A 43 10.628 -2.487 -10.331 1.00 0.00 C ATOM 674 O GLU A 43 9.998 -1.885 -9.484 1.00 0.00 O ATOM 675 CB GLU A 43 10.066 -4.829 -10.997 1.00 0.00 C ATOM 676 CG GLU A 43 9.125 -5.152 -9.834 1.00 0.00 C ATOM 677 CD GLU A 43 8.192 -6.297 -10.234 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.831 -6.361 -11.398 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.853 -7.089 -9.371 1.00 0.00 O ATOM 0 H GLU A 43 11.060 -3.892 -13.096 1.00 0.00 H new ATOM 0 HA GLU A 43 8.859 -3.095 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.833 -5.460 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.097 -5.042 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.702 -5.430 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.542 -4.270 -9.568 1.00 0.00 H new ATOM 686 N THR A 44 11.931 -2.401 -10.385 1.00 0.00 N ATOM 687 CA THR A 44 12.643 -1.546 -9.383 1.00 0.00 C ATOM 688 C THR A 44 12.158 -0.114 -9.557 1.00 0.00 C ATOM 689 O THR A 44 12.139 0.670 -8.637 1.00 0.00 O ATOM 690 CB THR A 44 14.180 -1.613 -9.546 1.00 0.00 C ATOM 691 OG1 THR A 44 14.785 -1.372 -8.284 1.00 0.00 O ATOM 692 CG2 THR A 44 14.666 -0.551 -10.543 1.00 0.00 C ATOM 0 H THR A 44 12.526 -2.875 -11.065 1.00 0.00 H new ATOM 0 HA THR A 44 12.419 -1.914 -8.382 1.00 0.00 H new ATOM 0 HB THR A 44 14.454 -2.599 -9.922 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.741 -1.195 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.749 -0.615 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.201 -0.723 -11.514 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.393 0.440 -10.181 1.00 0.00 H new ATOM 700 N PHE A 45 11.775 0.222 -10.747 1.00 0.00 N ATOM 701 CA PHE A 45 11.281 1.597 -11.023 1.00 0.00 C ATOM 702 C PHE A 45 9.917 1.795 -10.362 1.00 0.00 C ATOM 703 O PHE A 45 9.547 2.893 -10.003 1.00 0.00 O ATOM 704 CB PHE A 45 11.176 1.802 -12.526 1.00 0.00 C ATOM 705 CG PHE A 45 12.590 1.969 -13.087 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.523 2.788 -12.420 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.985 1.291 -14.253 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.823 2.922 -12.915 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.288 1.434 -14.744 1.00 0.00 C ATOM 710 CZ PHE A 45 15.204 2.247 -14.075 1.00 0.00 C ATOM 0 H PHE A 45 11.782 -0.402 -11.554 1.00 0.00 H new ATOM 0 HA PHE A 45 11.978 2.328 -10.613 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.681 0.950 -12.992 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.573 2.682 -12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.232 3.314 -11.523 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.281 0.658 -14.772 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.534 3.549 -12.398 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.585 0.914 -15.643 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.209 2.354 -14.456 1.00 0.00 H new ATOM 720 N CYS A 46 9.160 0.742 -10.207 1.00 0.00 N ATOM 721 CA CYS A 46 7.821 0.890 -9.572 1.00 0.00 C ATOM 722 C CYS A 46 7.991 1.325 -8.113 1.00 0.00 C ATOM 723 O CYS A 46 7.423 2.307 -7.678 1.00 0.00 O ATOM 724 CB CYS A 46 7.099 -0.452 -9.608 1.00 0.00 C ATOM 725 SG CYS A 46 5.379 -0.220 -10.113 1.00 0.00 S ATOM 0 H CYS A 46 9.409 -0.206 -10.490 1.00 0.00 H new ATOM 0 HA CYS A 46 7.243 1.639 -10.113 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.602 -1.126 -10.302 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.137 -0.921 -8.625 1.00 0.00 H new ATOM 730 N ARG A 47 8.782 0.610 -7.359 1.00 0.00 N ATOM 731 CA ARG A 47 9.005 0.988 -5.933 1.00 0.00 C ATOM 732 C ARG A 47 9.888 2.238 -5.851 1.00 0.00 C ATOM 733 O ARG A 47 9.583 3.194 -5.165 1.00 0.00 O ATOM 734 CB ARG A 47 9.700 -0.170 -5.216 1.00 0.00 C ATOM 735 CG ARG A 47 9.344 -0.139 -3.729 1.00 0.00 C ATOM 736 CD ARG A 47 8.423 -1.316 -3.403 1.00 0.00 C ATOM 737 NE ARG A 47 9.242 -2.542 -3.187 1.00 0.00 N ATOM 738 CZ ARG A 47 9.529 -2.928 -1.974 1.00 0.00 C ATOM 739 NH1 ARG A 47 9.762 -2.042 -1.044 1.00 0.00 N ATOM 740 NH2 ARG A 47 9.582 -4.201 -1.689 1.00 0.00 N ATOM 0 H ARG A 47 9.285 -0.221 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 47 8.046 1.200 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.393 -1.120 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.780 -0.095 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.250 -0.194 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.852 0.802 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.836 -1.096 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.717 -1.476 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 47 9.578 -3.079 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.720 -1.047 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.986 -2.345 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.399 -4.894 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.806 -4.502 -0.741 1.00 0.00 H new ATOM 754 N ALA A 48 10.998 2.210 -6.535 1.00 0.00 N ATOM 755 CA ALA A 48 11.955 3.368 -6.504 1.00 0.00 C ATOM 756 C ALA A 48 11.263 4.647 -6.938 1.00 0.00 C ATOM 757 O ALA A 48 11.548 5.723 -6.461 1.00 0.00 O ATOM 758 CB ALA A 48 13.152 3.108 -7.434 1.00 0.00 C ATOM 0 H ALA A 48 11.292 1.429 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 48 12.309 3.477 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.833 3.958 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.676 2.209 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.796 2.972 -8.455 1.00 0.00 H new ATOM 764 N ALA A 49 10.363 4.532 -7.842 1.00 0.00 N ATOM 765 CA ALA A 49 9.636 5.737 -8.327 1.00 0.00 C ATOM 766 C ALA A 49 8.711 6.235 -7.220 1.00 0.00 C ATOM 767 O ALA A 49 8.483 7.418 -7.069 1.00 0.00 O ATOM 768 CB ALA A 49 8.820 5.382 -9.568 1.00 0.00 C ATOM 0 H ALA A 49 10.086 3.653 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 49 10.349 6.519 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.289 6.267 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.487 5.023 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.100 4.602 -9.319 1.00 0.00 H new ATOM 774 N THR A 50 8.182 5.336 -6.439 1.00 0.00 N ATOM 775 CA THR A 50 7.277 5.750 -5.335 1.00 0.00 C ATOM 776 C THR A 50 8.098 6.458 -4.255 1.00 0.00 C ATOM 777 O THR A 50 7.653 7.415 -3.656 1.00 0.00 O ATOM 778 CB THR A 50 6.604 4.514 -4.734 1.00 0.00 C ATOM 779 OG1 THR A 50 6.745 3.420 -5.628 1.00 0.00 O ATOM 780 CG2 THR A 50 5.119 4.802 -4.508 1.00 0.00 C ATOM 0 H THR A 50 8.338 4.331 -6.519 1.00 0.00 H new ATOM 0 HA THR A 50 6.513 6.425 -5.720 1.00 0.00 H new ATOM 0 HB THR A 50 7.074 4.269 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.872 2.999 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.639 3.922 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.012 5.643 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.647 5.046 -5.460 1.00 0.00 H new ATOM 788 N VAL A 51 9.290 5.990 -3.998 1.00 0.00 N ATOM 789 CA VAL A 51 10.133 6.638 -2.952 1.00 0.00 C ATOM 790 C VAL A 51 10.606 8.008 -3.436 1.00 0.00 C ATOM 791 O VAL A 51 10.541 8.976 -2.712 1.00 0.00 O ATOM 792 CB VAL A 51 11.343 5.751 -2.630 1.00 0.00 C ATOM 793 CG1 VAL A 51 10.869 4.441 -1.996 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.108 5.430 -3.912 1.00 0.00 C ATOM 0 H VAL A 51 9.715 5.189 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 51 9.537 6.768 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 51 11.995 6.283 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.731 3.814 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.325 4.658 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.212 3.917 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.966 4.800 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.452 4.904 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.454 6.356 -4.371 1.00 0.00 H new ATOM 804 N LEU A 52 11.071 8.107 -4.650 1.00 0.00 N ATOM 805 CA LEU A 52 11.526 9.432 -5.156 1.00 0.00 C ATOM 806 C LEU A 52 10.325 10.375 -5.164 1.00 0.00 C ATOM 807 O LEU A 52 10.456 11.567 -4.970 1.00 0.00 O ATOM 808 CB LEU A 52 12.086 9.278 -6.571 1.00 0.00 C ATOM 809 CG LEU A 52 12.302 10.658 -7.195 1.00 0.00 C ATOM 810 CD1 LEU A 52 13.013 11.569 -6.191 1.00 0.00 C ATOM 811 CD2 LEU A 52 13.160 10.520 -8.454 1.00 0.00 C ATOM 0 H LEU A 52 11.155 7.334 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 52 12.311 9.835 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.028 8.730 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.398 8.695 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 52 11.337 11.091 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.166 12.552 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.402 11.669 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.978 11.136 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.314 11.503 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.124 10.085 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.654 9.873 -9.170 1.00 0.00 H new ATOM 823 N ARG A 53 9.149 9.844 -5.362 1.00 0.00 N ATOM 824 CA ARG A 53 7.941 10.703 -5.353 1.00 0.00 C ATOM 825 C ARG A 53 7.742 11.227 -3.933 1.00 0.00 C ATOM 826 O ARG A 53 7.541 12.404 -3.716 1.00 0.00 O ATOM 827 CB ARG A 53 6.720 9.885 -5.776 1.00 0.00 C ATOM 828 CG ARG A 53 5.448 10.702 -5.532 1.00 0.00 C ATOM 829 CD ARG A 53 4.234 9.923 -6.036 1.00 0.00 C ATOM 830 NE ARG A 53 2.988 10.553 -5.514 1.00 0.00 N ATOM 831 CZ ARG A 53 1.839 10.284 -6.073 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.718 10.329 -7.372 1.00 0.00 N ATOM 833 NH2 ARG A 53 0.810 9.975 -5.332 1.00 0.00 N ATOM 0 H ARG A 53 8.977 8.853 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 53 8.063 11.532 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.796 9.617 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.680 8.953 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.340 10.916 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.516 11.661 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.221 9.914 -7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.294 8.885 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 53 3.033 11.193 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.521 10.574 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.820 10.119 -7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.904 9.944 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.088 9.765 -5.768 1.00 0.00 H new ATOM 847 N GLN A 54 7.801 10.357 -2.958 1.00 0.00 N ATOM 848 CA GLN A 54 7.624 10.802 -1.551 1.00 0.00 C ATOM 849 C GLN A 54 8.750 11.750 -1.146 1.00 0.00 C ATOM 850 O GLN A 54 8.603 12.583 -0.276 1.00 0.00 O ATOM 851 CB GLN A 54 7.620 9.585 -0.640 1.00 0.00 C ATOM 852 CG GLN A 54 6.279 8.865 -0.768 1.00 0.00 C ATOM 853 CD GLN A 54 5.621 8.757 0.609 1.00 0.00 C ATOM 854 OE1 GLN A 54 5.830 9.596 1.463 1.00 0.00 O ATOM 855 NE2 GLN A 54 4.829 7.751 0.864 1.00 0.00 N ATOM 0 H GLN A 54 7.964 9.358 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 54 6.677 11.333 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.434 8.912 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.786 9.889 0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.627 9.408 -1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.427 7.871 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.653 7.046 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.386 7.670 1.779 1.00 0.00 H new ATOM 864 N PHE A 55 9.879 11.595 -1.754 1.00 0.00 N ATOM 865 CA PHE A 55 11.054 12.442 -1.408 1.00 0.00 C ATOM 866 C PHE A 55 10.844 13.888 -1.864 1.00 0.00 C ATOM 867 O PHE A 55 10.988 14.801 -1.084 1.00 0.00 O ATOM 868 CB PHE A 55 12.297 11.864 -2.103 1.00 0.00 C ATOM 869 CG PHE A 55 13.552 12.334 -1.399 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.848 11.859 -0.117 1.00 0.00 C ATOM 871 CD2 PHE A 55 14.420 13.238 -2.027 1.00 0.00 C ATOM 872 CE1 PHE A 55 15.009 12.282 0.539 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.585 13.664 -1.369 1.00 0.00 C ATOM 874 CZ PHE A 55 15.881 13.185 -0.084 1.00 0.00 C ATOM 0 H PHE A 55 10.048 10.908 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 55 11.183 12.442 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.253 10.775 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.318 12.176 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.178 11.164 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 55 14.193 13.607 -3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.234 11.912 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 55 16.254 14.361 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.777 13.511 0.423 1.00 0.00 H new ATOM 884 N TYR A 56 10.508 14.115 -3.107 1.00 0.00 N ATOM 885 CA TYR A 56 10.301 15.527 -3.561 1.00 0.00 C ATOM 886 C TYR A 56 8.979 16.100 -2.992 1.00 0.00 C ATOM 887 O TYR A 56 8.940 17.241 -2.579 1.00 0.00 O ATOM 888 CB TYR A 56 10.338 15.627 -5.103 1.00 0.00 C ATOM 889 CG TYR A 56 9.013 15.240 -5.723 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.948 16.145 -5.710 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.856 13.984 -6.328 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.723 15.798 -6.293 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.630 13.638 -6.910 1.00 0.00 C ATOM 894 CZ TYR A 56 6.564 14.544 -6.891 1.00 0.00 C ATOM 895 OH TYR A 56 5.357 14.202 -7.465 1.00 0.00 O ATOM 0 H TYR A 56 10.369 13.398 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 56 11.122 16.130 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.592 16.646 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.124 14.979 -5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.070 17.114 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.679 13.285 -6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.901 16.499 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.507 12.671 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 56 5.401 13.280 -7.794 1.00 0.00 H new ATOM 905 N SER A 57 7.887 15.345 -2.962 1.00 0.00 N ATOM 906 CA SER A 57 6.625 15.922 -2.412 1.00 0.00 C ATOM 907 C SER A 57 6.745 16.091 -0.896 1.00 0.00 C ATOM 908 O SER A 57 6.459 17.137 -0.349 1.00 0.00 O ATOM 909 CB SER A 57 5.458 14.985 -2.729 1.00 0.00 C ATOM 910 OG SER A 57 4.441 15.148 -1.752 1.00 0.00 O ATOM 0 H SER A 57 7.827 14.381 -3.289 1.00 0.00 H new ATOM 0 HA SER A 57 6.448 16.897 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.062 15.203 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.802 13.951 -2.743 1.00 0.00 H new ATOM 0 HG SER A 57 3.693 14.549 -1.956 1.00 0.00 H new ATOM 916 N HIS A 58 7.157 15.058 -0.217 1.00 0.00 N ATOM 917 CA HIS A 58 7.292 15.127 1.266 1.00 0.00 C ATOM 918 C HIS A 58 8.401 16.108 1.654 1.00 0.00 C ATOM 919 O HIS A 58 8.368 16.704 2.713 1.00 0.00 O ATOM 920 CB HIS A 58 7.633 13.739 1.810 1.00 0.00 C ATOM 921 CG HIS A 58 7.148 13.621 3.229 1.00 0.00 C ATOM 922 ND1 HIS A 58 6.303 12.603 3.639 1.00 0.00 N ATOM 923 CD2 HIS A 58 7.380 14.387 4.342 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.060 12.781 4.951 1.00 0.00 C ATOM 925 NE2 HIS A 58 6.693 13.854 5.430 1.00 0.00 N ATOM 0 H HIS A 58 7.409 14.160 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 58 6.349 15.471 1.690 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.169 12.971 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.710 13.575 1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.001 15.270 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.430 12.135 5.544 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.677 14.207 6.387 1.00 0.00 H new ATOM 933 N HIS A 59 9.389 16.276 0.820 1.00 0.00 N ATOM 934 CA HIS A 59 10.495 17.206 1.156 1.00 0.00 C ATOM 935 C HIS A 59 9.943 18.626 1.289 1.00 0.00 C ATOM 936 O HIS A 59 10.454 19.415 2.058 1.00 0.00 O ATOM 937 CB HIS A 59 11.517 17.189 0.028 1.00 0.00 C ATOM 938 CG HIS A 59 12.717 16.348 0.377 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.977 16.668 -0.100 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.881 15.200 1.119 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.829 15.737 0.350 1.00 0.00 C ATOM 942 NE2 HIS A 59 14.214 14.821 1.097 1.00 0.00 N ATOM 0 H HIS A 59 9.476 15.807 -0.081 1.00 0.00 H new ATOM 0 HA HIS A 59 10.958 16.897 2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.052 16.802 -0.879 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.837 18.208 -0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.092 14.676 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.887 15.730 0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 59 14.635 14.013 1.555 1.00 0.00 H new ATOM 950 N GLU A 60 8.905 18.959 0.543 1.00 0.00 N ATOM 951 CA GLU A 60 8.318 20.338 0.637 1.00 0.00 C ATOM 952 C GLU A 60 8.378 20.773 2.095 1.00 0.00 C ATOM 953 O GLU A 60 8.602 21.922 2.420 1.00 0.00 O ATOM 954 CB GLU A 60 6.862 20.311 0.165 1.00 0.00 C ATOM 955 CG GLU A 60 6.813 20.491 -1.355 1.00 0.00 C ATOM 956 CD GLU A 60 5.762 21.545 -1.710 1.00 0.00 C ATOM 957 OE1 GLU A 60 4.875 21.766 -0.901 1.00 0.00 O ATOM 958 OE2 GLU A 60 5.860 22.111 -2.786 1.00 0.00 O ATOM 0 H GLU A 60 8.444 18.337 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 60 8.875 21.034 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.396 19.366 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.296 21.104 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.791 20.797 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.571 19.544 -1.837 1.00 0.00 H new ATOM 965 N LYS A 61 8.227 19.822 2.966 1.00 0.00 N ATOM 966 CA LYS A 61 8.321 20.093 4.422 1.00 0.00 C ATOM 967 C LYS A 61 9.397 19.156 4.976 1.00 0.00 C ATOM 968 O LYS A 61 10.411 18.947 4.343 1.00 0.00 O ATOM 969 CB LYS A 61 6.975 19.806 5.092 1.00 0.00 C ATOM 970 CG LYS A 61 5.851 20.443 4.272 1.00 0.00 C ATOM 971 CD LYS A 61 5.416 21.753 4.934 1.00 0.00 C ATOM 972 CE LYS A 61 4.804 22.677 3.880 1.00 0.00 C ATOM 973 NZ LYS A 61 4.602 24.032 4.466 1.00 0.00 N ATOM 0 H LYS A 61 8.039 18.849 2.726 1.00 0.00 H new ATOM 0 HA LYS A 61 8.575 21.135 4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.818 18.730 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.970 20.204 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.192 20.633 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.005 19.760 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.690 21.551 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.272 22.237 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.459 22.739 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.853 22.273 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.186 24.661 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.961 23.965 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.518 24.417 4.775 1.00 0.00 H new ATOM 987 N ASP A 62 9.189 18.582 6.136 1.00 0.00 N ATOM 988 CA ASP A 62 10.204 17.641 6.705 1.00 0.00 C ATOM 989 C ASP A 62 11.268 18.407 7.477 1.00 0.00 C ATOM 990 O ASP A 62 11.967 17.864 8.309 1.00 0.00 O ATOM 991 CB ASP A 62 10.855 16.823 5.578 1.00 0.00 C ATOM 992 CG ASP A 62 11.269 15.451 6.117 1.00 0.00 C ATOM 993 OD1 ASP A 62 11.166 15.253 7.317 1.00 0.00 O ATOM 994 OD2 ASP A 62 11.679 14.623 5.322 1.00 0.00 O ATOM 0 H ASP A 62 8.360 18.724 6.713 1.00 0.00 H new ATOM 0 HA ASP A 62 9.700 16.961 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.156 16.705 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.726 17.350 5.188 1.00 0.00 H new ATOM 999 N THR A 63 11.379 19.659 7.201 1.00 0.00 N ATOM 1000 CA THR A 63 12.384 20.523 7.889 1.00 0.00 C ATOM 1001 C THR A 63 13.673 19.732 8.099 1.00 0.00 C ATOM 1002 O THR A 63 14.418 19.970 9.028 1.00 0.00 O ATOM 1003 CB THR A 63 11.832 20.974 9.243 1.00 0.00 C ATOM 1004 OG1 THR A 63 10.428 21.171 9.138 1.00 0.00 O ATOM 1005 CG2 THR A 63 12.503 22.284 9.659 1.00 0.00 C ATOM 0 H THR A 63 10.806 20.144 6.511 1.00 0.00 H new ATOM 0 HA THR A 63 12.591 21.400 7.275 1.00 0.00 H new ATOM 0 HB THR A 63 12.037 20.210 9.993 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.072 21.458 10.005 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.109 22.604 10.624 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.579 22.132 9.739 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.299 23.051 8.911 1.00 0.00 H new ATOM 1013 N ARG A 64 13.937 18.796 7.237 1.00 0.00 N ATOM 1014 CA ARG A 64 15.178 17.986 7.375 1.00 0.00 C ATOM 1015 C ARG A 64 16.318 18.708 6.663 1.00 0.00 C ATOM 1016 O ARG A 64 17.061 19.460 7.261 1.00 0.00 O ATOM 1017 CB ARG A 64 14.966 16.609 6.740 1.00 0.00 C ATOM 1018 CG ARG A 64 14.357 15.660 7.774 1.00 0.00 C ATOM 1019 CD ARG A 64 15.375 14.577 8.136 1.00 0.00 C ATOM 1020 NE ARG A 64 16.688 15.211 8.438 1.00 0.00 N ATOM 1021 CZ ARG A 64 17.487 14.673 9.318 1.00 0.00 C ATOM 1022 NH1 ARG A 64 18.314 13.729 8.958 1.00 0.00 N ATOM 1023 NH2 ARG A 64 17.457 15.075 10.560 1.00 0.00 N ATOM 0 H ARG A 64 13.347 18.555 6.441 1.00 0.00 H new ATOM 0 HA ARG A 64 15.422 17.858 8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.308 16.693 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.915 16.212 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.068 16.215 8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.451 15.204 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.026 14.009 8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.481 13.872 7.311 1.00 0.00 H new ATOM 0 HE ARG A 64 16.963 16.067 7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.335 13.412 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.939 13.308 9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.809 15.810 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.082 14.654 11.248 1.00 0.00 H new ATOM 1037 N CYS A 65 16.456 18.495 5.385 1.00 0.00 N ATOM 1038 CA CYS A 65 17.537 19.180 4.631 1.00 0.00 C ATOM 1039 C CYS A 65 17.119 20.626 4.340 1.00 0.00 C ATOM 1040 O CYS A 65 17.812 21.357 3.661 1.00 0.00 O ATOM 1041 CB CYS A 65 17.779 18.444 3.310 1.00 0.00 C ATOM 1042 SG CYS A 65 16.200 18.194 2.459 1.00 0.00 S ATOM 0 H CYS A 65 15.865 17.875 4.831 1.00 0.00 H new ATOM 0 HA CYS A 65 18.452 19.178 5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 65 18.457 19.020 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 65 18.258 17.483 3.499 1.00 0.00 H new ATOM 1047 N LEU A 66 15.989 21.047 4.850 1.00 0.00 N ATOM 1048 CA LEU A 66 15.530 22.441 4.601 1.00 0.00 C ATOM 1049 C LEU A 66 15.610 23.230 5.908 1.00 0.00 C ATOM 1050 O LEU A 66 14.805 23.042 6.797 1.00 0.00 O ATOM 1051 CB LEU A 66 14.068 22.458 4.119 1.00 0.00 C ATOM 1052 CG LEU A 66 13.625 21.087 3.589 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.305 20.703 4.252 1.00 0.00 C ATOM 1054 CD2 LEU A 66 13.417 21.162 2.077 1.00 0.00 C ATOM 0 H LEU A 66 15.366 20.483 5.428 1.00 0.00 H new ATOM 0 HA LEU A 66 16.167 22.883 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.418 22.757 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.953 23.205 3.334 1.00 0.00 H new ATOM 0 HG LEU A 66 14.391 20.345 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.982 19.730 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.441 20.653 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.548 21.451 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.103 20.187 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.649 21.902 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.351 21.451 1.595 1.00 0.00 H new ATOM 1066 N GLY A 67 16.559 24.117 6.041 1.00 0.00 N ATOM 1067 CA GLY A 67 16.638 24.896 7.308 1.00 0.00 C ATOM 1068 C GLY A 67 18.029 25.512 7.494 1.00 0.00 C ATOM 1069 O GLY A 67 18.702 25.247 8.470 1.00 0.00 O ATOM 0 H GLY A 67 17.270 24.333 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.886 25.685 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.409 24.246 8.153 1.00 0.00 H new ATOM 1073 N ALA A 68 18.463 26.350 6.587 1.00 0.00 N ATOM 1074 CA ALA A 68 19.800 26.988 6.752 1.00 0.00 C ATOM 1075 C ALA A 68 19.878 28.238 5.873 1.00 0.00 C ATOM 1076 O ALA A 68 20.817 28.410 5.124 1.00 0.00 O ATOM 1077 CB ALA A 68 20.903 26.006 6.357 1.00 0.00 C ATOM 0 H ALA A 68 17.952 26.617 5.746 1.00 0.00 H new ATOM 0 HA ALA A 68 19.938 27.269 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.876 26.482 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 68 20.848 25.122 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.773 25.713 5.315 1.00 0.00 H new ATOM 1083 N THR A 69 18.876 29.092 5.974 1.00 0.00 N ATOM 1084 CA THR A 69 18.800 30.363 5.180 1.00 0.00 C ATOM 1085 C THR A 69 17.632 30.263 4.202 1.00 0.00 C ATOM 1086 O THR A 69 17.330 29.195 3.713 1.00 0.00 O ATOM 1087 CB THR A 69 20.094 30.617 4.400 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.188 30.679 5.306 1.00 0.00 O ATOM 1089 CG2 THR A 69 19.987 31.943 3.650 1.00 0.00 C ATOM 0 H THR A 69 18.082 28.950 6.598 1.00 0.00 H new ATOM 0 HA THR A 69 18.655 31.194 5.870 1.00 0.00 H new ATOM 0 HB THR A 69 20.252 29.807 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 69 21.617 29.799 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.908 32.123 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 69 19.148 31.902 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.829 32.752 4.363 1.00 0.00 H new ATOM 1097 N ALA A 70 16.977 31.356 3.876 1.00 0.00 N ATOM 1098 CA ALA A 70 15.873 31.260 2.892 1.00 0.00 C ATOM 1099 C ALA A 70 16.416 30.468 1.709 1.00 0.00 C ATOM 1100 O ALA A 70 15.691 29.800 1.001 1.00 0.00 O ATOM 1101 CB ALA A 70 15.451 32.659 2.438 1.00 0.00 C ATOM 0 H ALA A 70 17.162 32.288 4.246 1.00 0.00 H new ATOM 0 HA ALA A 70 14.999 30.774 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.639 32.578 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.113 33.235 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.300 33.163 1.975 1.00 0.00 H new ATOM 1107 N GLN A 71 17.710 30.528 1.507 1.00 0.00 N ATOM 1108 CA GLN A 71 18.318 29.762 0.387 1.00 0.00 C ATOM 1109 C GLN A 71 18.034 28.279 0.619 1.00 0.00 C ATOM 1110 O GLN A 71 17.548 27.589 -0.248 1.00 0.00 O ATOM 1111 CB GLN A 71 19.829 30.000 0.357 1.00 0.00 C ATOM 1112 CG GLN A 71 20.458 29.134 -0.736 1.00 0.00 C ATOM 1113 CD GLN A 71 19.925 29.570 -2.102 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.306 30.604 -2.614 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.051 28.820 -2.719 1.00 0.00 N ATOM 0 H GLN A 71 18.364 31.073 2.069 1.00 0.00 H new ATOM 0 HA GLN A 71 17.896 30.084 -0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.039 31.053 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.266 29.757 1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.544 29.229 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.225 28.084 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.731 27.952 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.689 29.103 -3.630 1.00 0.00 H new ATOM 1124 N GLN A 72 18.321 27.790 1.794 1.00 0.00 N ATOM 1125 CA GLN A 72 18.049 26.358 2.095 1.00 0.00 C ATOM 1126 C GLN A 72 16.595 26.027 1.759 1.00 0.00 C ATOM 1127 O GLN A 72 16.280 24.935 1.328 1.00 0.00 O ATOM 1128 CB GLN A 72 18.311 26.089 3.569 1.00 0.00 C ATOM 1129 CG GLN A 72 19.549 25.203 3.660 1.00 0.00 C ATOM 1130 CD GLN A 72 20.762 25.962 3.121 1.00 0.00 C ATOM 1131 OE1 GLN A 72 20.795 27.176 3.143 1.00 0.00 O ATOM 1132 NE2 GLN A 72 21.770 25.290 2.631 1.00 0.00 N ATOM 0 H GLN A 72 18.733 28.323 2.560 1.00 0.00 H new ATOM 0 HA GLN A 72 18.706 25.731 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.468 27.024 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.453 25.597 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.722 24.908 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 72 19.396 24.287 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 72 21.743 24.271 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.584 25.785 2.267 1.00 0.00 H new ATOM 1141 N PHE A 73 15.708 26.959 1.962 1.00 0.00 N ATOM 1142 CA PHE A 73 14.266 26.704 1.669 1.00 0.00 C ATOM 1143 C PHE A 73 14.015 26.617 0.152 1.00 0.00 C ATOM 1144 O PHE A 73 13.282 25.766 -0.312 1.00 0.00 O ATOM 1145 CB PHE A 73 13.420 27.835 2.266 1.00 0.00 C ATOM 1146 CG PHE A 73 11.968 27.419 2.279 1.00 0.00 C ATOM 1147 CD1 PHE A 73 11.199 27.526 1.114 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.390 26.926 3.456 1.00 0.00 C ATOM 1149 CE1 PHE A 73 9.853 27.142 1.126 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.045 26.540 3.467 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.275 26.649 2.303 1.00 0.00 C ATOM 0 H PHE A 73 15.918 27.891 2.320 1.00 0.00 H new ATOM 0 HA PHE A 73 13.985 25.750 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.755 28.059 3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 73 13.544 28.746 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.644 27.905 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.983 26.844 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.260 27.226 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.601 26.158 4.374 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.236 26.353 2.312 1.00 0.00 H new ATOM 1161 N HIS A 74 14.586 27.501 -0.624 1.00 0.00 N ATOM 1162 CA HIS A 74 14.344 27.479 -2.103 1.00 0.00 C ATOM 1163 C HIS A 74 15.001 26.273 -2.759 1.00 0.00 C ATOM 1164 O HIS A 74 14.488 25.685 -3.689 1.00 0.00 O ATOM 1165 CB HIS A 74 14.921 28.748 -2.717 1.00 0.00 C ATOM 1166 CG HIS A 74 14.273 29.004 -4.048 1.00 0.00 C ATOM 1167 ND1 HIS A 74 13.155 29.811 -4.187 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.577 28.564 -5.311 1.00 0.00 C ATOM 1169 CE1 HIS A 74 12.828 29.833 -5.492 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.664 29.088 -6.223 1.00 0.00 N ATOM 0 H HIS A 74 15.211 28.239 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 74 13.269 27.418 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.754 29.595 -2.051 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.999 28.647 -2.840 1.00 0.00 H new ATOM 0 HD1 HIS A 74 12.668 30.300 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.400 27.910 -5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.993 30.384 -5.899 1.00 0.00 H new ATOM 1178 N ARG A 75 16.139 25.936 -2.290 1.00 0.00 N ATOM 1179 CA ARG A 75 16.907 24.790 -2.862 1.00 0.00 C ATOM 1180 C ARG A 75 16.020 23.549 -2.982 1.00 0.00 C ATOM 1181 O ARG A 75 15.965 22.918 -4.018 1.00 0.00 O ATOM 1182 CB ARG A 75 18.095 24.479 -1.951 1.00 0.00 C ATOM 1183 CG ARG A 75 19.401 24.758 -2.699 1.00 0.00 C ATOM 1184 CD ARG A 75 20.450 25.283 -1.717 1.00 0.00 C ATOM 1185 NE ARG A 75 21.806 25.142 -2.317 1.00 0.00 N ATOM 1186 CZ ARG A 75 22.098 25.768 -3.424 1.00 0.00 C ATOM 1187 NH1 ARG A 75 22.050 27.072 -3.468 1.00 0.00 N ATOM 1188 NH2 ARG A 75 22.439 25.092 -4.487 1.00 0.00 N ATOM 0 H ARG A 75 16.599 26.408 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 75 17.257 25.063 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.044 25.088 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.061 23.437 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.760 23.847 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.230 25.488 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.252 26.329 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.396 24.729 -0.780 1.00 0.00 H new ATOM 0 HE ARG A 75 22.506 24.556 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.784 27.601 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 75 22.278 27.562 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.477 24.073 -4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.667 25.582 -5.352 1.00 0.00 H new ATOM 1202 N HIS A 76 15.334 23.181 -1.937 1.00 0.00 N ATOM 1203 CA HIS A 76 14.470 21.967 -2.018 1.00 0.00 C ATOM 1204 C HIS A 76 13.415 22.165 -3.111 1.00 0.00 C ATOM 1205 O HIS A 76 12.966 21.223 -3.726 1.00 0.00 O ATOM 1206 CB HIS A 76 13.793 21.702 -0.658 1.00 0.00 C ATOM 1207 CG HIS A 76 12.555 22.551 -0.504 1.00 0.00 C ATOM 1208 ND1 HIS A 76 11.451 22.411 -1.332 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.228 23.543 0.389 1.00 0.00 C ATOM 1210 CE1 HIS A 76 10.524 23.297 -0.925 1.00 0.00 C ATOM 1211 NE2 HIS A 76 10.946 24.011 0.121 1.00 0.00 N ATOM 0 H HIS A 76 15.332 23.662 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 76 15.085 21.103 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.529 20.648 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.492 21.919 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.869 23.904 1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.556 23.416 -1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.437 24.743 0.617 1.00 0.00 H new ATOM 1219 N LYS A 77 13.012 23.382 -3.347 1.00 0.00 N ATOM 1220 CA LYS A 77 11.975 23.636 -4.398 1.00 0.00 C ATOM 1221 C LYS A 77 12.574 23.405 -5.793 1.00 0.00 C ATOM 1222 O LYS A 77 11.960 22.807 -6.653 1.00 0.00 O ATOM 1223 CB LYS A 77 11.431 25.081 -4.258 1.00 0.00 C ATOM 1224 CG LYS A 77 11.996 26.017 -5.337 1.00 0.00 C ATOM 1225 CD LYS A 77 11.288 25.759 -6.669 1.00 0.00 C ATOM 1226 CE LYS A 77 12.280 25.933 -7.819 1.00 0.00 C ATOM 1227 NZ LYS A 77 12.018 27.225 -8.512 1.00 0.00 N ATOM 0 H LYS A 77 13.352 24.212 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 77 11.145 22.942 -4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.343 25.067 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.685 25.470 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.860 27.056 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.068 25.855 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.873 24.751 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.453 26.449 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.301 25.913 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.186 25.106 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.479 27.218 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.993 27.352 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.399 28.008 -7.943 1.00 0.00 H new ATOM 1241 N GLN A 78 13.756 23.901 -6.024 1.00 0.00 N ATOM 1242 CA GLN A 78 14.389 23.742 -7.370 1.00 0.00 C ATOM 1243 C GLN A 78 14.694 22.267 -7.664 1.00 0.00 C ATOM 1244 O GLN A 78 14.341 21.753 -8.705 1.00 0.00 O ATOM 1245 CB GLN A 78 15.692 24.549 -7.411 1.00 0.00 C ATOM 1246 CG GLN A 78 16.488 24.176 -8.663 1.00 0.00 C ATOM 1247 CD GLN A 78 16.851 25.447 -9.434 1.00 0.00 C ATOM 1248 OE1 GLN A 78 18.003 25.673 -9.746 1.00 0.00 O ATOM 1249 NE2 GLN A 78 15.908 26.290 -9.758 1.00 0.00 N ATOM 0 H GLN A 78 14.315 24.411 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 78 13.694 24.107 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.471 25.616 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.284 24.348 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.393 23.636 -8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.901 23.510 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.941 26.099 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 78 16.138 27.139 -10.274 1.00 0.00 H new ATOM 1258 N LEU A 79 15.345 21.583 -6.765 1.00 0.00 N ATOM 1259 CA LEU A 79 15.668 20.152 -7.010 1.00 0.00 C ATOM 1260 C LEU A 79 14.390 19.333 -6.952 1.00 0.00 C ATOM 1261 O LEU A 79 14.269 18.345 -7.627 1.00 0.00 O ATOM 1262 CB LEU A 79 16.657 19.650 -5.958 1.00 0.00 C ATOM 1263 CG LEU A 79 18.021 20.307 -6.185 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.502 20.946 -4.880 1.00 0.00 C ATOM 1265 CD2 LEU A 79 19.028 19.247 -6.635 1.00 0.00 C ATOM 0 H LEU A 79 15.667 21.954 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 79 16.123 20.047 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.291 19.884 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.749 18.566 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 79 17.932 21.074 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.473 21.414 -5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.784 21.701 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.592 20.179 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.000 19.714 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.117 18.480 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.685 18.791 -7.564 1.00 0.00 H new ATOM 1277 N ILE A 80 13.434 19.724 -6.158 1.00 0.00 N ATOM 1278 CA ILE A 80 12.167 18.945 -6.105 1.00 0.00 C ATOM 1279 C ILE A 80 11.414 19.140 -7.428 1.00 0.00 C ATOM 1280 O ILE A 80 10.709 18.263 -7.876 1.00 0.00 O ATOM 1281 CB ILE A 80 11.291 19.447 -4.953 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.755 18.796 -3.652 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.817 19.092 -5.217 1.00 0.00 C ATOM 1284 CD1 ILE A 80 10.769 19.122 -2.531 1.00 0.00 C ATOM 0 H ILE A 80 13.474 20.541 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 80 12.395 17.891 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 80 11.381 20.530 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.829 17.716 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.750 19.155 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.202 19.453 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.490 19.561 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.713 18.010 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.104 18.655 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.717 20.202 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.782 18.741 -2.793 1.00 0.00 H new ATOM 1296 N ARG A 81 11.550 20.285 -8.056 1.00 0.00 N ATOM 1297 CA ARG A 81 10.835 20.507 -9.341 1.00 0.00 C ATOM 1298 C ARG A 81 11.414 19.539 -10.358 1.00 0.00 C ATOM 1299 O ARG A 81 10.705 18.797 -11.009 1.00 0.00 O ATOM 1300 CB ARG A 81 11.052 21.947 -9.814 1.00 0.00 C ATOM 1301 CG ARG A 81 9.765 22.472 -10.455 1.00 0.00 C ATOM 1302 CD ARG A 81 9.916 22.463 -11.978 1.00 0.00 C ATOM 1303 NE ARG A 81 9.955 23.866 -12.481 1.00 0.00 N ATOM 1304 CZ ARG A 81 9.439 24.155 -13.643 1.00 0.00 C ATOM 1305 NH1 ARG A 81 10.160 24.042 -14.724 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.200 24.559 -13.724 1.00 0.00 N ATOM 0 H ARG A 81 12.122 21.066 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 81 9.764 20.343 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.336 22.579 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.871 21.986 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.919 21.852 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.557 23.483 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.829 21.938 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.085 21.925 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 81 10.385 24.599 -11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.128 23.727 -14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.756 24.268 -15.633 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.636 24.648 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.796 24.785 -14.633 1.00 0.00 H new ATOM 1320 N PHE A 82 12.711 19.515 -10.469 1.00 0.00 N ATOM 1321 CA PHE A 82 13.359 18.581 -11.393 1.00 0.00 C ATOM 1322 C PHE A 82 13.146 17.167 -10.840 1.00 0.00 C ATOM 1323 O PHE A 82 13.058 16.205 -11.578 1.00 0.00 O ATOM 1324 CB PHE A 82 14.840 18.947 -11.466 1.00 0.00 C ATOM 1325 CG PHE A 82 15.068 19.887 -12.624 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.644 19.530 -13.910 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.705 21.115 -12.413 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.857 20.401 -14.984 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.918 21.987 -13.488 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.493 21.631 -14.773 1.00 0.00 C ATOM 0 H PHE A 82 13.348 20.116 -9.946 1.00 0.00 H new ATOM 0 HA PHE A 82 12.945 18.629 -12.400 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.156 19.417 -10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.443 18.047 -11.590 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.153 18.582 -14.073 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.032 21.390 -11.421 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.531 20.125 -15.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.410 22.934 -13.325 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.655 22.304 -15.602 1.00 0.00 H new ATOM 1340 N LEU A 83 13.031 17.042 -9.537 1.00 0.00 N ATOM 1341 CA LEU A 83 12.787 15.713 -8.924 1.00 0.00 C ATOM 1342 C LEU A 83 11.413 15.220 -9.357 1.00 0.00 C ATOM 1343 O LEU A 83 11.160 14.038 -9.477 1.00 0.00 O ATOM 1344 CB LEU A 83 12.818 15.885 -7.411 1.00 0.00 C ATOM 1345 CG LEU A 83 14.262 15.798 -6.928 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.379 16.310 -5.492 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.706 14.344 -6.956 1.00 0.00 C ATOM 0 H LEU A 83 13.098 17.815 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 83 13.543 14.992 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.386 16.846 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.214 15.114 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 83 14.887 16.408 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.416 16.240 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.054 17.349 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.750 15.706 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.738 14.272 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.063 13.755 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.635 13.962 -7.974 1.00 0.00 H new ATOM 1359 N LYS A 84 10.536 16.139 -9.597 1.00 0.00 N ATOM 1360 CA LYS A 84 9.162 15.787 -10.035 1.00 0.00 C ATOM 1361 C LYS A 84 9.227 15.248 -11.457 1.00 0.00 C ATOM 1362 O LYS A 84 8.645 14.231 -11.766 1.00 0.00 O ATOM 1363 CB LYS A 84 8.274 17.032 -9.997 1.00 0.00 C ATOM 1364 CG LYS A 84 6.829 16.640 -10.307 1.00 0.00 C ATOM 1365 CD LYS A 84 5.881 17.713 -9.769 1.00 0.00 C ATOM 1366 CE LYS A 84 6.027 18.987 -10.601 1.00 0.00 C ATOM 1367 NZ LYS A 84 4.901 19.914 -10.290 1.00 0.00 N ATOM 0 H LYS A 84 10.713 17.140 -9.508 1.00 0.00 H new ATOM 0 HA LYS A 84 8.742 15.032 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.331 17.502 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.626 17.765 -10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.695 16.528 -11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.598 15.676 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.852 17.357 -9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.107 17.921 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.980 19.469 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.028 18.743 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.999 20.781 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.998 19.452 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.920 20.156 -9.279 1.00 0.00 H new ATOM 1381 N ARG A 85 9.945 15.904 -12.329 1.00 0.00 N ATOM 1382 CA ARG A 85 10.037 15.380 -13.713 1.00 0.00 C ATOM 1383 C ARG A 85 10.429 13.915 -13.630 1.00 0.00 C ATOM 1384 O ARG A 85 10.021 13.093 -14.422 1.00 0.00 O ATOM 1385 CB ARG A 85 11.080 16.156 -14.499 1.00 0.00 C ATOM 1386 CG ARG A 85 10.399 16.768 -15.720 1.00 0.00 C ATOM 1387 CD ARG A 85 9.623 15.682 -16.472 1.00 0.00 C ATOM 1388 NE ARG A 85 9.782 15.885 -17.939 1.00 0.00 N ATOM 1389 CZ ARG A 85 8.729 15.975 -18.704 1.00 0.00 C ATOM 1390 NH1 ARG A 85 7.691 16.659 -18.307 1.00 0.00 N ATOM 1391 NH2 ARG A 85 8.714 15.382 -19.866 1.00 0.00 N ATOM 0 H ARG A 85 10.461 16.764 -12.144 1.00 0.00 H new ATOM 0 HA ARG A 85 9.080 15.489 -14.223 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.521 16.936 -13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.892 15.497 -14.807 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.723 17.565 -15.411 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.143 17.219 -16.377 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.990 14.695 -16.189 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.568 15.720 -16.201 1.00 0.00 H new ATOM 0 HE ARG A 85 10.715 15.954 -18.346 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.703 17.123 -17.399 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.868 16.730 -18.905 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.526 14.848 -20.177 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.891 15.452 -20.464 1.00 0.00 H new ATOM 1405 N LEU A 86 11.220 13.598 -12.655 1.00 0.00 N ATOM 1406 CA LEU A 86 11.669 12.192 -12.461 1.00 0.00 C ATOM 1407 C LEU A 86 10.502 11.315 -11.986 1.00 0.00 C ATOM 1408 O LEU A 86 10.390 10.171 -12.372 1.00 0.00 O ATOM 1409 CB LEU A 86 12.786 12.158 -11.416 1.00 0.00 C ATOM 1410 CG LEU A 86 13.988 11.398 -11.978 1.00 0.00 C ATOM 1411 CD1 LEU A 86 14.416 12.029 -13.304 1.00 0.00 C ATOM 1412 CD2 LEU A 86 15.148 11.470 -10.982 1.00 0.00 C ATOM 0 H LEU A 86 11.583 14.261 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 86 12.035 11.805 -13.412 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.078 13.173 -11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.431 11.676 -10.505 1.00 0.00 H new ATOM 0 HG LEU A 86 13.714 10.356 -12.143 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.273 11.487 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.591 11.979 -14.014 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.690 13.071 -13.139 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.005 10.928 -11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.422 12.512 -10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.844 11.021 -10.036 1.00 0.00 H new ATOM 1424 N ASP A 87 9.645 11.819 -11.134 1.00 0.00 N ATOM 1425 CA ASP A 87 8.515 10.982 -10.640 1.00 0.00 C ATOM 1426 C ASP A 87 7.490 10.727 -11.757 1.00 0.00 C ATOM 1427 O ASP A 87 7.040 9.616 -11.951 1.00 0.00 O ATOM 1428 CB ASP A 87 7.833 11.706 -9.476 1.00 0.00 C ATOM 1429 CG ASP A 87 6.727 10.818 -8.898 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.852 9.609 -9.000 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.776 11.364 -8.364 1.00 0.00 O ATOM 0 H ASP A 87 9.680 12.768 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 87 8.907 10.020 -10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.564 11.943 -8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.413 12.652 -9.818 1.00 0.00 H new ATOM 1436 N ARG A 88 7.105 11.743 -12.478 1.00 0.00 N ATOM 1437 CA ARG A 88 6.097 11.558 -13.564 1.00 0.00 C ATOM 1438 C ARG A 88 6.699 10.766 -14.733 1.00 0.00 C ATOM 1439 O ARG A 88 6.058 9.908 -15.308 1.00 0.00 O ATOM 1440 CB ARG A 88 5.649 12.931 -14.070 1.00 0.00 C ATOM 1441 CG ARG A 88 4.278 12.804 -14.739 1.00 0.00 C ATOM 1442 CD ARG A 88 4.173 13.815 -15.882 1.00 0.00 C ATOM 1443 NE ARG A 88 5.004 13.355 -17.029 1.00 0.00 N ATOM 1444 CZ ARG A 88 4.619 13.598 -18.253 1.00 0.00 C ATOM 1445 NH1 ARG A 88 4.063 14.741 -18.549 1.00 0.00 N ATOM 1446 NH2 ARG A 88 4.790 12.697 -19.181 1.00 0.00 N ATOM 0 H ARG A 88 7.445 12.698 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 88 5.248 11.004 -13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.597 13.637 -13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.377 13.325 -14.779 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.140 11.792 -15.120 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.488 12.980 -14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.134 13.923 -16.192 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.509 14.796 -15.546 1.00 0.00 H new ATOM 0 HE ARG A 88 5.874 12.850 -16.859 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.929 15.446 -17.824 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.763 14.930 -19.505 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.224 11.803 -18.950 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.489 12.886 -20.137 1.00 0.00 H new ATOM 1460 N ASN A 89 7.916 11.060 -15.099 1.00 0.00 N ATOM 1461 CA ASN A 89 8.551 10.328 -16.256 1.00 0.00 C ATOM 1462 C ASN A 89 8.868 8.884 -15.853 1.00 0.00 C ATOM 1463 O ASN A 89 8.710 7.969 -16.632 1.00 0.00 O ATOM 1464 CB ASN A 89 9.840 11.055 -16.729 1.00 0.00 C ATOM 1465 CG ASN A 89 10.958 10.051 -17.043 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.992 10.055 -16.405 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.790 9.184 -18.004 1.00 0.00 N ATOM 0 H ASN A 89 8.503 11.768 -14.657 1.00 0.00 H new ATOM 0 HA ASN A 89 7.846 10.316 -17.087 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.621 11.649 -17.616 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.175 11.747 -15.956 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.526 8.511 -18.218 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.923 9.179 -18.541 1.00 0.00 H new ATOM 1474 N LEU A 90 9.337 8.675 -14.658 1.00 0.00 N ATOM 1475 CA LEU A 90 9.679 7.291 -14.230 1.00 0.00 C ATOM 1476 C LEU A 90 8.507 6.356 -14.532 1.00 0.00 C ATOM 1477 O LEU A 90 8.676 5.312 -15.123 1.00 0.00 O ATOM 1478 CB LEU A 90 9.967 7.280 -12.728 1.00 0.00 C ATOM 1479 CG LEU A 90 11.409 7.727 -12.486 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.609 8.024 -10.998 1.00 0.00 C ATOM 1481 CD2 LEU A 90 12.362 6.614 -12.917 1.00 0.00 C ATOM 0 H LEU A 90 9.499 9.400 -13.959 1.00 0.00 H new ATOM 0 HA LEU A 90 10.561 6.951 -14.773 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.276 7.945 -12.209 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.812 6.280 -12.324 1.00 0.00 H new ATOM 0 HG LEU A 90 11.614 8.627 -13.065 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.637 8.343 -10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.927 8.817 -10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.406 7.125 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.391 6.930 -12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.157 5.714 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.219 6.403 -13.977 1.00 0.00 H new ATOM 1493 N TRP A 91 7.323 6.721 -14.128 1.00 0.00 N ATOM 1494 CA TRP A 91 6.144 5.861 -14.386 1.00 0.00 C ATOM 1495 C TRP A 91 6.114 5.467 -15.867 1.00 0.00 C ATOM 1496 O TRP A 91 5.763 4.358 -16.211 1.00 0.00 O ATOM 1497 CB TRP A 91 4.879 6.634 -14.001 1.00 0.00 C ATOM 1498 CG TRP A 91 4.842 6.790 -12.523 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.826 7.970 -11.881 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.814 5.758 -11.497 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.794 7.738 -10.517 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.785 6.385 -10.231 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.812 4.352 -11.544 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.756 5.645 -9.049 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.782 3.603 -10.357 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.754 4.249 -9.112 1.00 0.00 C ATOM 0 H TRP A 91 7.124 7.586 -13.626 1.00 0.00 H new ATOM 0 HA TRP A 91 6.199 4.950 -13.791 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.873 7.611 -14.484 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.992 6.102 -14.346 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.836 8.942 -12.353 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.779 8.474 -9.810 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.834 3.846 -12.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.735 6.147 -8.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.780 2.524 -10.403 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.731 3.667 -8.202 1.00 0.00 H new ATOM 1517 N GLY A 92 6.501 6.352 -16.749 1.00 0.00 N ATOM 1518 CA GLY A 92 6.511 5.999 -18.195 1.00 0.00 C ATOM 1519 C GLY A 92 7.636 4.995 -18.460 1.00 0.00 C ATOM 1520 O GLY A 92 7.479 4.038 -19.192 1.00 0.00 O ATOM 0 H GLY A 92 6.809 7.299 -16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.551 5.572 -18.484 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.657 6.894 -18.799 1.00 0.00 H new ATOM 1524 N LEU A 93 8.777 5.228 -17.872 1.00 0.00 N ATOM 1525 CA LEU A 93 9.940 4.335 -18.065 1.00 0.00 C ATOM 1526 C LEU A 93 9.624 2.915 -17.562 1.00 0.00 C ATOM 1527 O LEU A 93 10.148 1.942 -18.068 1.00 0.00 O ATOM 1528 CB LEU A 93 11.104 4.936 -17.279 1.00 0.00 C ATOM 1529 CG LEU A 93 12.439 4.739 -18.011 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.438 3.450 -18.840 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.688 5.944 -18.924 1.00 0.00 C ATOM 0 H LEU A 93 8.949 6.020 -17.253 1.00 0.00 H new ATOM 0 HA LEU A 93 10.190 4.254 -19.123 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.927 6.000 -17.122 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.156 4.473 -16.294 1.00 0.00 H new ATOM 0 HG LEU A 93 13.234 4.656 -17.270 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.398 3.341 -19.345 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.275 2.595 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.641 3.495 -19.582 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.634 5.814 -19.449 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.879 6.024 -19.650 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.728 6.853 -18.324 1.00 0.00 H new ATOM 1543 N ALA A 94 8.774 2.778 -16.574 1.00 0.00 N ATOM 1544 CA ALA A 94 8.444 1.418 -16.056 1.00 0.00 C ATOM 1545 C ALA A 94 7.240 0.851 -16.815 1.00 0.00 C ATOM 1546 O ALA A 94 7.342 -0.151 -17.496 1.00 0.00 O ATOM 1547 CB ALA A 94 8.108 1.509 -14.566 1.00 0.00 C ATOM 0 H ALA A 94 8.296 3.548 -16.106 1.00 0.00 H new ATOM 0 HA ALA A 94 9.302 0.761 -16.200 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.867 0.516 -14.186 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.966 1.907 -14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.252 2.169 -14.426 1.00 0.00 H new ATOM 1553 N GLY A 95 6.102 1.485 -16.713 1.00 0.00 N ATOM 1554 CA GLY A 95 4.903 0.974 -17.439 1.00 0.00 C ATOM 1555 C GLY A 95 3.734 0.752 -16.467 1.00 0.00 C ATOM 1556 O GLY A 95 2.584 0.790 -16.857 1.00 0.00 O ATOM 0 H GLY A 95 5.951 2.330 -16.162 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.610 1.684 -18.212 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.147 0.038 -17.942 1.00 0.00 H new ATOM 1560 N LEU A 96 4.008 0.518 -15.209 1.00 0.00 N ATOM 1561 CA LEU A 96 2.898 0.296 -14.239 1.00 0.00 C ATOM 1562 C LEU A 96 2.592 1.604 -13.503 1.00 0.00 C ATOM 1563 O LEU A 96 3.341 2.560 -13.575 1.00 0.00 O ATOM 1564 CB LEU A 96 3.309 -0.772 -13.220 1.00 0.00 C ATOM 1565 CG LEU A 96 2.064 -1.488 -12.694 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.257 -2.046 -13.868 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.488 -2.636 -11.776 1.00 0.00 C ATOM 0 H LEU A 96 4.948 0.472 -14.815 1.00 0.00 H new ATOM 0 HA LEU A 96 2.012 -0.037 -14.779 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.985 -1.490 -13.684 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.852 -0.311 -12.394 1.00 0.00 H new ATOM 0 HG LEU A 96 1.449 -0.782 -12.136 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.371 -2.556 -13.491 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.955 -1.229 -14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.870 -2.752 -14.428 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.602 -3.148 -11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.104 -3.340 -12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.061 -2.239 -10.938 1.00 0.00 H new ATOM 1579 N ASN A 97 1.495 1.654 -12.798 1.00 0.00 N ATOM 1580 CA ASN A 97 1.127 2.896 -12.057 1.00 0.00 C ATOM 1581 C ASN A 97 0.753 2.536 -10.617 1.00 0.00 C ATOM 1582 O ASN A 97 -0.238 2.997 -10.089 1.00 0.00 O ATOM 1583 CB ASN A 97 -0.067 3.564 -12.741 1.00 0.00 C ATOM 1584 CG ASN A 97 0.167 5.075 -12.815 1.00 0.00 C ATOM 1585 OD1 ASN A 97 1.293 5.523 -12.893 1.00 0.00 O ATOM 1586 ND2 ASN A 97 -0.856 5.883 -12.795 1.00 0.00 N ATOM 0 H ASN A 97 0.833 0.884 -12.702 1.00 0.00 H new ATOM 0 HA ASN A 97 1.974 3.582 -12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.200 3.156 -13.743 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.982 3.354 -12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.711 6.891 -12.845 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.802 5.507 -12.730 1.00 0.00 H new ATOM 1593 N SER A 98 1.539 1.712 -9.981 1.00 0.00 N ATOM 1594 CA SER A 98 1.232 1.314 -8.578 1.00 0.00 C ATOM 1595 C SER A 98 2.534 1.000 -7.842 1.00 0.00 C ATOM 1596 O SER A 98 3.570 1.572 -8.117 1.00 0.00 O ATOM 1597 CB SER A 98 0.337 0.073 -8.591 1.00 0.00 C ATOM 1598 OG SER A 98 1.146 -1.094 -8.639 1.00 0.00 O ATOM 0 H SER A 98 2.383 1.296 -10.374 1.00 0.00 H new ATOM 0 HA SER A 98 0.718 2.129 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.292 0.056 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.330 0.102 -9.453 1.00 0.00 H new ATOM 0 HG SER A 98 0.573 -1.889 -8.646 1.00 0.00 H new ATOM 1604 N CYS A 99 2.488 0.084 -6.916 1.00 0.00 N ATOM 1605 CA CYS A 99 3.724 -0.284 -6.161 1.00 0.00 C ATOM 1606 C CYS A 99 4.068 0.810 -5.136 1.00 0.00 C ATOM 1607 O CYS A 99 4.811 1.718 -5.451 1.00 0.00 O ATOM 1608 CB CYS A 99 4.893 -0.419 -7.141 1.00 0.00 C ATOM 1609 SG CYS A 99 4.328 -1.185 -8.683 1.00 0.00 S ATOM 0 H CYS A 99 1.648 -0.428 -6.647 1.00 0.00 H new ATOM 0 HA CYS A 99 3.551 -1.227 -5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.319 0.563 -7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.684 -1.022 -6.695 1.00 0.00 H new ATOM 1614 N PRO A 100 3.543 0.698 -3.931 1.00 0.00 N ATOM 1615 CA PRO A 100 3.823 1.687 -2.838 1.00 0.00 C ATOM 1616 C PRO A 100 5.282 1.582 -2.379 1.00 0.00 C ATOM 1617 O PRO A 100 6.159 2.221 -2.926 1.00 0.00 O ATOM 1618 CB PRO A 100 2.868 1.263 -1.729 1.00 0.00 C ATOM 1619 CG PRO A 100 2.549 -0.202 -1.976 1.00 0.00 C ATOM 1620 CD PRO A 100 2.620 -0.405 -3.487 1.00 0.00 C ATOM 0 HA PRO A 100 3.681 2.723 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.325 1.401 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.960 1.867 -1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.262 -0.847 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 100 1.559 -0.454 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.013 -1.389 -3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.638 -0.322 -3.952 1.00 0.00 H new ATOM 1628 N VAL A 101 5.550 0.781 -1.382 1.00 0.00 N ATOM 1629 CA VAL A 101 6.953 0.641 -0.896 1.00 0.00 C ATOM 1630 C VAL A 101 7.077 -0.634 -0.058 1.00 0.00 C ATOM 1631 O VAL A 101 7.363 -1.698 -0.568 1.00 0.00 O ATOM 1632 CB VAL A 101 7.327 1.856 -0.041 1.00 0.00 C ATOM 1633 CG1 VAL A 101 7.917 2.947 -0.936 1.00 0.00 C ATOM 1634 CG2 VAL A 101 6.080 2.395 0.664 1.00 0.00 C ATOM 0 H VAL A 101 4.859 0.219 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 101 7.627 0.582 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 101 8.063 1.558 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.183 3.812 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 101 8.808 2.566 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.181 3.242 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.350 3.259 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.341 2.691 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.660 1.619 1.304 1.00 0.00 H new ATOM 1644 N LYS A 102 6.863 -0.534 1.226 1.00 0.00 N ATOM 1645 CA LYS A 102 6.970 -1.740 2.093 1.00 0.00 C ATOM 1646 C LYS A 102 8.443 -2.091 2.298 1.00 0.00 C ATOM 1647 O LYS A 102 8.964 -3.010 1.696 1.00 0.00 O ATOM 1648 CB LYS A 102 6.249 -2.916 1.430 1.00 0.00 C ATOM 1649 CG LYS A 102 5.948 -3.988 2.480 1.00 0.00 C ATOM 1650 CD LYS A 102 4.527 -3.797 3.014 1.00 0.00 C ATOM 1651 CE LYS A 102 4.359 -4.585 4.314 1.00 0.00 C ATOM 1652 NZ LYS A 102 4.415 -6.044 4.020 1.00 0.00 N ATOM 0 H LYS A 102 6.619 0.330 1.711 1.00 0.00 H new ATOM 0 HA LYS A 102 6.509 -1.534 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.323 -2.575 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.867 -3.334 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.052 -4.980 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.666 -3.923 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.333 -2.739 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.801 -4.136 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.144 -4.315 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.408 -4.334 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.150 -6.580 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.753 -6.269 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.381 -6.304 3.734 1.00 0.00 H new ATOM 1666 N GLU A 103 9.115 -1.363 3.142 1.00 0.00 N ATOM 1667 CA GLU A 103 10.555 -1.646 3.394 1.00 0.00 C ATOM 1668 C GLU A 103 10.973 -1.020 4.725 1.00 0.00 C ATOM 1669 O GLU A 103 10.879 0.176 4.918 1.00 0.00 O ATOM 1670 CB GLU A 103 11.398 -1.051 2.264 1.00 0.00 C ATOM 1671 CG GLU A 103 12.732 -1.795 2.174 1.00 0.00 C ATOM 1672 CD GLU A 103 12.469 -3.291 1.997 1.00 0.00 C ATOM 1673 OE1 GLU A 103 12.025 -3.671 0.925 1.00 0.00 O ATOM 1674 OE2 GLU A 103 12.719 -4.033 2.932 1.00 0.00 O ATOM 0 H GLU A 103 8.729 -0.581 3.671 1.00 0.00 H new ATOM 0 HA GLU A 103 10.711 -2.724 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.862 -1.128 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.573 0.009 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.317 -1.416 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.319 -1.622 3.076 1.00 0.00 H new ATOM 1681 N ALA A 104 11.435 -1.820 5.647 1.00 0.00 N ATOM 1682 CA ALA A 104 11.858 -1.273 6.967 1.00 0.00 C ATOM 1683 C ALA A 104 13.290 -0.742 6.866 1.00 0.00 C ATOM 1684 O ALA A 104 13.645 0.237 7.491 1.00 0.00 O ATOM 1685 CB ALA A 104 11.798 -2.380 8.020 1.00 0.00 C ATOM 0 H ALA A 104 11.538 -2.829 5.543 1.00 0.00 H new ATOM 0 HA ALA A 104 11.190 -0.461 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.107 -1.981 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.778 -2.758 8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.466 -3.192 7.733 1.00 0.00 H new ATOM 1691 N ASN A 105 14.118 -1.381 6.083 1.00 0.00 N ATOM 1692 CA ASN A 105 15.525 -0.911 5.946 1.00 0.00 C ATOM 1693 C ASN A 105 15.533 0.597 5.685 1.00 0.00 C ATOM 1694 O ASN A 105 14.499 1.220 5.554 1.00 0.00 O ATOM 1695 CB ASN A 105 16.194 -1.636 4.778 1.00 0.00 C ATOM 1696 CG ASN A 105 15.973 -3.144 4.920 1.00 0.00 C ATOM 1697 OD1 ASN A 105 15.194 -3.726 4.192 1.00 0.00 O ATOM 1698 ND2 ASN A 105 16.628 -3.805 5.835 1.00 0.00 N ATOM 0 H ASN A 105 13.880 -2.207 5.534 1.00 0.00 H new ATOM 0 HA ASN A 105 16.072 -1.124 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.780 -1.284 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.261 -1.414 4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.486 -4.810 5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.282 -3.317 6.447 1.00 0.00 H new ATOM 1705 N GLN A 106 16.694 1.190 5.609 1.00 0.00 N ATOM 1706 CA GLN A 106 16.763 2.657 5.358 1.00 0.00 C ATOM 1707 C GLN A 106 18.086 2.999 4.667 1.00 0.00 C ATOM 1708 O GLN A 106 19.124 2.456 4.988 1.00 0.00 O ATOM 1709 CB GLN A 106 16.673 3.408 6.688 1.00 0.00 C ATOM 1710 CG GLN A 106 17.927 3.128 7.517 1.00 0.00 C ATOM 1711 CD GLN A 106 17.846 3.891 8.841 1.00 0.00 C ATOM 1712 OE1 GLN A 106 16.777 4.059 9.394 1.00 0.00 O ATOM 1713 NE2 GLN A 106 18.940 4.363 9.376 1.00 0.00 N ATOM 0 H GLN A 106 17.595 0.723 5.710 1.00 0.00 H new ATOM 0 HA GLN A 106 15.933 2.953 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.575 4.478 6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.784 3.094 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.019 2.059 7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.816 3.431 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.837 4.222 8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.897 4.873 10.258 1.00 0.00 H new ATOM 1722 N SER A 107 18.052 3.896 3.721 1.00 0.00 N ATOM 1723 CA SER A 107 19.301 4.279 3.003 1.00 0.00 C ATOM 1724 C SER A 107 19.279 5.788 2.736 1.00 0.00 C ATOM 1725 O SER A 107 18.455 6.502 3.266 1.00 0.00 O ATOM 1726 CB SER A 107 19.374 3.512 1.679 1.00 0.00 C ATOM 1727 OG SER A 107 18.995 4.369 0.613 1.00 0.00 O ATOM 0 H SER A 107 17.210 4.382 3.413 1.00 0.00 H new ATOM 0 HA SER A 107 20.174 4.033 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.386 3.139 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.716 2.644 1.713 1.00 0.00 H new ATOM 0 HG SER A 107 19.043 3.879 -0.234 1.00 0.00 H new ATOM 1733 N THR A 108 20.171 6.287 1.921 1.00 0.00 N ATOM 1734 CA THR A 108 20.177 7.751 1.637 1.00 0.00 C ATOM 1735 C THR A 108 19.770 7.978 0.178 1.00 0.00 C ATOM 1736 O THR A 108 20.194 7.260 -0.705 1.00 0.00 O ATOM 1737 CB THR A 108 21.584 8.308 1.865 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.536 7.264 1.714 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.682 8.888 3.277 1.00 0.00 C ATOM 0 H THR A 108 20.892 5.747 1.442 1.00 0.00 H new ATOM 0 HA THR A 108 19.475 8.258 2.299 1.00 0.00 H new ATOM 0 HB THR A 108 21.786 9.093 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.438 7.620 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.684 9.285 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 108 20.952 9.689 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.480 8.104 4.007 1.00 0.00 H new ATOM 1747 N LEU A 109 18.953 8.963 -0.094 1.00 0.00 N ATOM 1748 CA LEU A 109 18.547 9.197 -1.510 1.00 0.00 C ATOM 1749 C LEU A 109 19.792 9.231 -2.393 1.00 0.00 C ATOM 1750 O LEU A 109 19.730 8.924 -3.557 1.00 0.00 O ATOM 1751 CB LEU A 109 17.778 10.506 -1.683 1.00 0.00 C ATOM 1752 CG LEU A 109 17.144 10.486 -3.080 1.00 0.00 C ATOM 1753 CD1 LEU A 109 15.701 10.948 -3.020 1.00 0.00 C ATOM 1754 CD2 LEU A 109 17.906 11.409 -4.017 1.00 0.00 C ATOM 0 H LEU A 109 18.555 9.605 0.591 1.00 0.00 H new ATOM 0 HA LEU A 109 17.886 8.381 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.011 10.605 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.446 11.360 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 109 17.185 9.461 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.270 10.926 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.134 10.285 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 109 15.660 11.965 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.446 11.385 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 109 17.878 12.427 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 109 18.942 11.078 -4.091 1.00 0.00 H new ATOM 1766 N GLU A 110 20.920 9.617 -1.862 1.00 0.00 N ATOM 1767 CA GLU A 110 22.147 9.660 -2.707 1.00 0.00 C ATOM 1768 C GLU A 110 22.271 8.329 -3.446 1.00 0.00 C ATOM 1769 O GLU A 110 22.465 8.287 -4.643 1.00 0.00 O ATOM 1770 CB GLU A 110 23.379 9.870 -1.822 1.00 0.00 C ATOM 1771 CG GLU A 110 24.642 9.812 -2.684 1.00 0.00 C ATOM 1772 CD GLU A 110 25.448 8.561 -2.327 1.00 0.00 C ATOM 1773 OE1 GLU A 110 24.833 7.541 -2.058 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.665 8.644 -2.328 1.00 0.00 O ATOM 0 H GLU A 110 21.045 9.902 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 110 22.080 10.482 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.316 10.833 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.419 9.104 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.373 9.795 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.246 10.705 -2.523 1.00 0.00 H new ATOM 1781 N ASN A 111 22.142 7.243 -2.738 1.00 0.00 N ATOM 1782 CA ASN A 111 22.231 5.909 -3.391 1.00 0.00 C ATOM 1783 C ASN A 111 21.050 5.745 -4.346 1.00 0.00 C ATOM 1784 O ASN A 111 21.132 5.042 -5.313 1.00 0.00 O ATOM 1785 CB ASN A 111 22.208 4.806 -2.328 1.00 0.00 C ATOM 1786 CG ASN A 111 21.960 3.454 -3.002 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.436 3.208 -4.091 1.00 0.00 O ATOM 1788 ND2 ASN A 111 21.227 2.561 -2.394 1.00 0.00 N ATOM 0 H ASN A 111 21.978 7.222 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 111 23.164 5.833 -3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.154 4.787 -1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.427 5.008 -1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 111 21.055 1.657 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.827 2.767 -1.479 1.00 0.00 H new ATOM 1795 N PHE A 112 19.952 6.379 -4.076 1.00 0.00 N ATOM 1796 CA PHE A 112 18.779 6.257 -4.993 1.00 0.00 C ATOM 1797 C PHE A 112 19.126 6.900 -6.329 1.00 0.00 C ATOM 1798 O PHE A 112 18.805 6.390 -7.374 1.00 0.00 O ATOM 1799 CB PHE A 112 17.591 7.015 -4.390 1.00 0.00 C ATOM 1800 CG PHE A 112 16.367 6.829 -5.253 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.130 7.705 -6.318 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.469 5.790 -4.987 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.995 7.543 -7.119 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.332 5.628 -5.788 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.097 6.505 -6.855 1.00 0.00 C ATOM 0 H PHE A 112 19.809 6.978 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 112 18.528 5.205 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.393 6.653 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.830 8.075 -4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.824 8.507 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.652 5.114 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.813 8.219 -7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.637 4.827 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.221 6.379 -7.474 1.00 0.00 H new ATOM 1815 N LEU A 113 19.767 8.025 -6.307 1.00 0.00 N ATOM 1816 CA LEU A 113 20.133 8.687 -7.577 1.00 0.00 C ATOM 1817 C LEU A 113 21.261 7.883 -8.242 1.00 0.00 C ATOM 1818 O LEU A 113 21.335 7.782 -9.451 1.00 0.00 O ATOM 1819 CB LEU A 113 20.575 10.121 -7.278 1.00 0.00 C ATOM 1820 CG LEU A 113 19.393 10.907 -6.683 1.00 0.00 C ATOM 1821 CD1 LEU A 113 19.903 12.220 -6.086 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.381 11.214 -7.789 1.00 0.00 C ATOM 0 H LEU A 113 20.054 8.517 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 113 19.283 8.724 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.412 10.117 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 113 20.924 10.603 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 113 18.916 10.313 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.066 12.777 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.628 12.005 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.378 12.814 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.542 11.771 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.861 11.810 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.018 10.281 -8.219 1.00 0.00 H new ATOM 1834 N GLU A 114 22.136 7.299 -7.456 1.00 0.00 N ATOM 1835 CA GLU A 114 23.251 6.486 -8.028 1.00 0.00 C ATOM 1836 C GLU A 114 22.682 5.187 -8.609 1.00 0.00 C ATOM 1837 O GLU A 114 22.956 4.806 -9.727 1.00 0.00 O ATOM 1838 CB GLU A 114 24.222 6.144 -6.898 1.00 0.00 C ATOM 1839 CG GLU A 114 25.610 5.843 -7.455 1.00 0.00 C ATOM 1840 CD GLU A 114 26.043 6.957 -8.409 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.021 8.105 -7.997 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.390 6.644 -9.537 1.00 0.00 O ATOM 0 H GLU A 114 22.123 7.353 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 114 23.761 7.043 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.279 6.976 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 114 23.853 5.282 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.327 5.753 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 114 25.601 4.887 -7.979 1.00 0.00 H new ATOM 1849 N ARG A 115 21.894 4.516 -7.820 1.00 0.00 N ATOM 1850 CA ARG A 115 21.268 3.229 -8.230 1.00 0.00 C ATOM 1851 C ARG A 115 20.309 3.475 -9.388 1.00 0.00 C ATOM 1852 O ARG A 115 20.366 2.832 -10.416 1.00 0.00 O ATOM 1853 CB ARG A 115 20.468 2.694 -7.034 1.00 0.00 C ATOM 1854 CG ARG A 115 20.565 1.168 -6.994 1.00 0.00 C ATOM 1855 CD ARG A 115 21.117 0.725 -5.637 1.00 0.00 C ATOM 1856 NE ARG A 115 22.604 0.809 -5.656 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.320 -0.241 -5.357 1.00 0.00 C ATOM 1858 NH1 ARG A 115 23.657 -1.089 -6.290 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.701 -0.442 -4.125 1.00 0.00 N ATOM 0 H ARG A 115 21.650 4.816 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 115 22.034 2.518 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.854 3.118 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.425 3.000 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 115 19.582 0.726 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 115 21.213 0.813 -7.795 1.00 0.00 H new ATOM 0 HD2 ARG A 115 20.716 1.358 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 115 20.802 -0.296 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 115 23.063 1.686 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 115 23.361 -0.932 -7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 115 24.216 -1.909 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 115 23.439 0.221 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.260 -1.262 -3.892 1.00 0.00 H new ATOM 1873 N LEU A 116 19.437 4.418 -9.217 1.00 0.00 N ATOM 1874 CA LEU A 116 18.463 4.751 -10.287 1.00 0.00 C ATOM 1875 C LEU A 116 19.238 5.050 -11.579 1.00 0.00 C ATOM 1876 O LEU A 116 18.899 4.549 -12.633 1.00 0.00 O ATOM 1877 CB LEU A 116 17.664 5.984 -9.858 1.00 0.00 C ATOM 1878 CG LEU A 116 16.521 6.217 -10.845 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.238 5.588 -10.296 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.312 7.720 -11.038 1.00 0.00 C ATOM 0 H LEU A 116 19.354 4.981 -8.371 1.00 0.00 H new ATOM 0 HA LEU A 116 17.779 3.920 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.268 5.842 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.314 6.858 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 116 16.768 5.760 -11.803 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.422 5.754 -10.999 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.388 4.517 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.990 6.045 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.497 7.887 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.064 8.179 -10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.226 8.167 -11.429 1.00 0.00 H new ATOM 1892 N LYS A 117 20.287 5.850 -11.519 1.00 0.00 N ATOM 1893 CA LYS A 117 21.052 6.138 -12.765 1.00 0.00 C ATOM 1894 C LYS A 117 21.682 4.843 -13.280 1.00 0.00 C ATOM 1895 O LYS A 117 21.803 4.632 -14.471 1.00 0.00 O ATOM 1896 CB LYS A 117 22.152 7.161 -12.468 1.00 0.00 C ATOM 1897 CG LYS A 117 23.018 7.353 -13.716 1.00 0.00 C ATOM 1898 CD LYS A 117 22.899 8.799 -14.201 1.00 0.00 C ATOM 1899 CE LYS A 117 24.298 9.386 -14.402 1.00 0.00 C ATOM 1900 NZ LYS A 117 24.492 10.534 -13.471 1.00 0.00 N ATOM 0 H LYS A 117 20.634 6.304 -10.674 1.00 0.00 H new ATOM 0 HA LYS A 117 20.379 6.543 -13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.709 8.111 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.766 6.820 -11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 117 24.058 7.118 -13.490 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.700 6.667 -14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 117 22.340 8.835 -15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.345 9.393 -13.475 1.00 0.00 H new ATOM 0 HE2 LYS A 117 25.054 8.623 -14.218 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.421 9.715 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.289 11.116 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 23.627 11.112 -13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 24.695 10.176 -12.516 1.00 0.00 H new ATOM 1914 N THR A 118 22.078 3.971 -12.395 1.00 0.00 N ATOM 1915 CA THR A 118 22.694 2.690 -12.835 1.00 0.00 C ATOM 1916 C THR A 118 21.688 1.912 -13.686 1.00 0.00 C ATOM 1917 O THR A 118 22.041 1.302 -14.677 1.00 0.00 O ATOM 1918 CB THR A 118 23.077 1.857 -11.610 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.553 2.717 -10.585 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.171 0.860 -11.991 1.00 0.00 C ATOM 0 H THR A 118 22.001 4.091 -11.385 1.00 0.00 H new ATOM 0 HA THR A 118 23.588 2.899 -13.423 1.00 0.00 H new ATOM 0 HB THR A 118 22.203 1.314 -11.252 1.00 0.00 H new ATOM 0 HG1 THR A 118 22.837 3.328 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.443 0.267 -11.118 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.804 0.200 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.047 1.400 -12.350 1.00 0.00 H new ATOM 1928 N ILE A 119 20.436 1.933 -13.314 1.00 0.00 N ATOM 1929 CA ILE A 119 19.417 1.202 -14.105 1.00 0.00 C ATOM 1930 C ILE A 119 19.210 1.912 -15.440 1.00 0.00 C ATOM 1931 O ILE A 119 19.261 1.306 -16.487 1.00 0.00 O ATOM 1932 CB ILE A 119 18.110 1.176 -13.331 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.337 0.745 -11.869 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.135 0.206 -14.000 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.570 -0.159 -11.752 1.00 0.00 C ATOM 0 H ILE A 119 20.079 2.426 -12.496 1.00 0.00 H new ATOM 0 HA ILE A 119 19.752 0.181 -14.288 1.00 0.00 H new ATOM 0 HB ILE A 119 17.694 2.184 -13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.466 1.627 -11.241 1.00 0.00 H new ATOM 0 HG13 ILE A 119 17.457 0.217 -11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.198 0.189 -13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 119 16.943 0.531 -15.023 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.568 -0.794 -14.012 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.710 -0.450 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.427 -1.051 -12.362 1.00 0.00 H new ATOM 0 HD13 ILE A 119 20.451 0.381 -12.099 1.00 0.00 H new ATOM 1947 N MET A 120 18.985 3.196 -15.408 1.00 0.00 N ATOM 1948 CA MET A 120 18.783 3.959 -16.673 1.00 0.00 C ATOM 1949 C MET A 120 19.931 3.684 -17.627 1.00 0.00 C ATOM 1950 O MET A 120 19.760 3.674 -18.824 1.00 0.00 O ATOM 1951 CB MET A 120 18.741 5.448 -16.351 1.00 0.00 C ATOM 1952 CG MET A 120 17.371 5.796 -15.774 1.00 0.00 C ATOM 1953 SD MET A 120 17.540 6.420 -14.090 1.00 0.00 S ATOM 1954 CE MET A 120 15.767 6.548 -13.744 1.00 0.00 C ATOM 0 H MET A 120 18.932 3.753 -14.555 1.00 0.00 H new ATOM 0 HA MET A 120 17.847 3.651 -17.140 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.525 5.701 -15.637 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.929 6.033 -17.251 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.885 6.545 -16.399 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.732 4.913 -15.779 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.542 7.542 -13.358 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.204 6.379 -14.662 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.486 5.800 -13.003 1.00 0.00 H new ATOM 1964 N ARG A 121 21.099 3.461 -17.116 1.00 0.00 N ATOM 1965 CA ARG A 121 22.245 3.173 -18.015 1.00 0.00 C ATOM 1966 C ARG A 121 21.969 1.861 -18.752 1.00 0.00 C ATOM 1967 O ARG A 121 22.227 1.729 -19.932 1.00 0.00 O ATOM 1968 CB ARG A 121 23.519 3.030 -17.184 1.00 0.00 C ATOM 1969 CG ARG A 121 24.532 4.095 -17.613 1.00 0.00 C ATOM 1970 CD ARG A 121 23.884 5.477 -17.528 1.00 0.00 C ATOM 1971 NE ARG A 121 24.186 6.244 -18.771 1.00 0.00 N ATOM 1972 CZ ARG A 121 25.078 7.194 -18.749 1.00 0.00 C ATOM 1973 NH1 ARG A 121 26.227 7.000 -18.159 1.00 0.00 N ATOM 1974 NH2 ARG A 121 24.823 8.342 -19.317 1.00 0.00 N ATOM 0 H ARG A 121 21.314 3.465 -16.119 1.00 0.00 H new ATOM 0 HA ARG A 121 22.372 3.985 -18.731 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.288 3.138 -16.124 1.00 0.00 H new ATOM 0 HB3 ARG A 121 23.943 2.035 -17.318 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.412 4.054 -16.972 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.870 3.902 -18.631 1.00 0.00 H new ATOM 0 HD2 ARG A 121 22.806 5.378 -17.402 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.259 6.014 -16.656 1.00 0.00 H new ATOM 0 HE ARG A 121 23.695 6.025 -19.638 1.00 0.00 H new ATOM 0 HH11 ARG A 121 26.427 6.104 -17.715 1.00 0.00 H new ATOM 0 HH12 ARG A 121 26.924 7.744 -18.143 1.00 0.00 H new ATOM 0 HH21 ARG A 121 23.926 8.495 -19.778 1.00 0.00 H new ATOM 0 HH22 ARG A 121 25.521 9.086 -19.300 1.00 0.00 H new ATOM 1988 N GLU A 122 21.448 0.889 -18.055 1.00 0.00 N ATOM 1989 CA GLU A 122 21.152 -0.425 -18.699 1.00 0.00 C ATOM 1990 C GLU A 122 19.963 -0.292 -19.666 1.00 0.00 C ATOM 1991 O GLU A 122 19.976 -0.857 -20.742 1.00 0.00 O ATOM 1992 CB GLU A 122 20.828 -1.482 -17.623 1.00 0.00 C ATOM 1993 CG GLU A 122 22.040 -1.726 -16.706 1.00 0.00 C ATOM 1994 CD GLU A 122 21.551 -2.255 -15.356 1.00 0.00 C ATOM 1995 OE1 GLU A 122 20.349 -2.276 -15.151 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.386 -2.630 -14.550 1.00 0.00 O ATOM 0 H GLU A 122 21.213 0.947 -17.064 1.00 0.00 H new ATOM 0 HA GLU A 122 22.032 -0.741 -19.260 1.00 0.00 H new ATOM 0 HB2 GLU A 122 19.978 -1.151 -17.027 1.00 0.00 H new ATOM 0 HB3 GLU A 122 20.536 -2.416 -18.102 1.00 0.00 H new ATOM 0 HG2 GLU A 122 22.721 -2.442 -17.166 1.00 0.00 H new ATOM 0 HG3 GLU A 122 22.598 -0.800 -16.567 1.00 0.00 H new ATOM 2003 N LYS A 123 18.934 0.438 -19.308 1.00 0.00 N ATOM 2004 CA LYS A 123 17.775 0.571 -20.238 1.00 0.00 C ATOM 2005 C LYS A 123 18.188 1.426 -21.435 1.00 0.00 C ATOM 2006 O LYS A 123 17.690 1.270 -22.531 1.00 0.00 O ATOM 2007 CB LYS A 123 16.609 1.243 -19.509 1.00 0.00 C ATOM 2008 CG LYS A 123 15.397 0.309 -19.517 1.00 0.00 C ATOM 2009 CD LYS A 123 14.355 0.831 -20.508 1.00 0.00 C ATOM 2010 CE LYS A 123 13.451 -0.320 -20.954 1.00 0.00 C ATOM 2011 NZ LYS A 123 12.744 -0.885 -19.770 1.00 0.00 N ATOM 0 H LYS A 123 18.849 0.940 -18.424 1.00 0.00 H new ATOM 0 HA LYS A 123 17.465 -0.416 -20.581 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.894 1.478 -18.483 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.358 2.186 -19.994 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.704 -0.700 -19.794 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.965 0.248 -18.518 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.759 1.617 -20.044 1.00 0.00 H new ATOM 0 HD3 LYS A 123 14.850 1.274 -21.372 1.00 0.00 H new ATOM 0 HE2 LYS A 123 12.727 0.035 -21.688 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.044 -1.095 -21.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.975 -1.509 -20.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.415 -1.431 -19.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.347 -0.111 -19.200 1.00 0.00 H new ATOM 2025 N TYR A 124 19.098 2.329 -21.221 1.00 0.00 N ATOM 2026 CA TYR A 124 19.567 3.214 -22.317 1.00 0.00 C ATOM 2027 C TYR A 124 20.394 2.400 -23.314 1.00 0.00 C ATOM 2028 O TYR A 124 20.290 2.578 -24.512 1.00 0.00 O ATOM 2029 CB TYR A 124 20.422 4.332 -21.716 1.00 0.00 C ATOM 2030 CG TYR A 124 20.731 5.355 -22.778 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.713 5.818 -23.619 1.00 0.00 C ATOM 2032 CD2 TYR A 124 22.033 5.838 -22.922 1.00 0.00 C ATOM 2033 CE1 TYR A 124 20.001 6.766 -24.608 1.00 0.00 C ATOM 2034 CE2 TYR A 124 22.324 6.785 -23.910 1.00 0.00 C ATOM 2035 CZ TYR A 124 21.307 7.250 -24.753 1.00 0.00 C ATOM 2036 OH TYR A 124 21.592 8.184 -25.729 1.00 0.00 O ATOM 0 H TYR A 124 19.544 2.494 -20.318 1.00 0.00 H new ATOM 0 HA TYR A 124 18.714 3.647 -22.839 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.894 4.802 -20.886 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.347 3.920 -21.313 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.706 5.444 -23.505 1.00 0.00 H new ATOM 0 HD2 TYR A 124 22.816 5.480 -22.270 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.217 7.124 -25.259 1.00 0.00 H new ATOM 0 HE2 TYR A 124 23.332 7.157 -24.022 1.00 0.00 H new ATOM 0 HH TYR A 124 21.642 9.075 -25.324 1.00 0.00 H new ATOM 2046 N SER A 125 21.214 1.509 -22.829 1.00 0.00 N ATOM 2047 CA SER A 125 22.045 0.685 -23.748 1.00 0.00 C ATOM 2048 C SER A 125 21.143 -0.023 -24.760 1.00 0.00 C ATOM 2049 O SER A 125 21.535 -0.287 -25.880 1.00 0.00 O ATOM 2050 CB SER A 125 22.823 -0.357 -22.940 1.00 0.00 C ATOM 2051 OG SER A 125 23.864 -0.895 -23.741 1.00 0.00 O ATOM 0 H SER A 125 21.344 1.317 -21.836 1.00 0.00 H new ATOM 0 HA SER A 125 22.746 1.331 -24.277 1.00 0.00 H new ATOM 0 HB2 SER A 125 23.239 0.100 -22.042 1.00 0.00 H new ATOM 0 HB3 SER A 125 22.154 -1.152 -22.612 1.00 0.00 H new ATOM 0 HG SER A 125 24.364 -1.561 -23.224 1.00 0.00 H new ATOM 2057 N LYS A 126 19.936 -0.331 -24.374 1.00 0.00 N ATOM 2058 CA LYS A 126 19.006 -1.023 -25.311 1.00 0.00 C ATOM 2059 C LYS A 126 17.565 -0.859 -24.821 1.00 0.00 C ATOM 2060 O LYS A 126 16.878 -1.826 -24.554 1.00 0.00 O ATOM 2061 CB LYS A 126 19.354 -2.511 -25.371 1.00 0.00 C ATOM 2062 CG LYS A 126 20.447 -2.738 -26.418 1.00 0.00 C ATOM 2063 CD LYS A 126 21.743 -3.158 -25.719 1.00 0.00 C ATOM 2064 CE LYS A 126 22.092 -4.596 -26.109 1.00 0.00 C ATOM 2065 NZ LYS A 126 23.051 -5.161 -25.120 1.00 0.00 N ATOM 0 H LYS A 126 19.553 -0.133 -23.450 1.00 0.00 H new ATOM 0 HA LYS A 126 19.104 -0.585 -26.304 1.00 0.00 H new ATOM 0 HB2 LYS A 126 19.694 -2.855 -24.394 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.467 -3.093 -25.623 1.00 0.00 H new ATOM 0 HG2 LYS A 126 20.136 -3.508 -27.124 1.00 0.00 H new ATOM 0 HG3 LYS A 126 20.610 -1.826 -26.993 1.00 0.00 H new ATOM 0 HD2 LYS A 126 22.554 -2.487 -26.001 1.00 0.00 H new ATOM 0 HD3 LYS A 126 21.627 -3.081 -24.638 1.00 0.00 H new ATOM 0 HE2 LYS A 126 21.188 -5.204 -26.143 1.00 0.00 H new ATOM 0 HE3 LYS A 126 22.528 -4.617 -27.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 23.288 -6.138 -25.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 23.917 -4.586 -25.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 22.619 -5.154 -24.174 1.00 0.00 H new