USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 73 ASN : amide:sc= 1.28 K(o=1.2,f=-0.71) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.037 K(o=1.2,f=-0.28) USER MOD Set 2.1: A 56 THR OG1 : rot -170:sc= 0.432 USER MOD Set 2.2: A 59 THR OG1 : rot 104:sc= 0.491 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0296) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.768) USER MOD Single : A 9 ASN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.00674 X(o=0.0067,f=-0.43) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.21 K(o=1.2,f=-0.044) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.392 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 23.365 -39.051 -37.155 1.00 0.00 N ATOM 77 CA MET A 1 23.956 -37.700 -37.233 1.00 0.00 C ATOM 78 C MET A 1 22.896 -36.610 -36.967 1.00 0.00 C ATOM 79 O MET A 1 22.565 -35.808 -37.843 1.00 0.00 O ATOM 80 CB MET A 1 24.659 -37.495 -38.594 1.00 0.00 C ATOM 81 CG MET A 1 25.893 -38.384 -38.788 1.00 0.00 C ATOM 82 SD MET A 1 26.833 -38.024 -40.297 1.00 0.00 S ATOM 83 CE MET A 1 28.206 -39.189 -40.077 1.00 0.00 C ATOM 0 H1 MET A 1 24.115 -39.764 -37.254 1.00 0.00 H new ATOM 0 H2 MET A 1 22.892 -39.171 -36.236 1.00 0.00 H new ATOM 0 H3 MET A 1 22.671 -39.171 -37.920 1.00 0.00 H new ATOM 0 HA MET A 1 24.710 -37.609 -36.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.947 -37.696 -39.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.956 -36.450 -38.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.551 -38.268 -37.926 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.577 -39.427 -38.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.892 -39.106 -40.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.736 -38.956 -39.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.816 -40.205 -40.025 1.00 0.00 H new ATOM 93 N ASP A 2 22.330 -36.595 -35.755 1.00 0.00 N ATOM 94 CA ASP A 2 21.212 -35.720 -35.361 1.00 0.00 C ATOM 95 C ASP A 2 21.503 -34.978 -34.032 1.00 0.00 C ATOM 96 O ASP A 2 21.518 -35.615 -32.973 1.00 0.00 O ATOM 97 CB ASP A 2 19.925 -36.557 -35.258 1.00 0.00 C ATOM 98 CG ASP A 2 19.477 -37.102 -36.626 1.00 0.00 C ATOM 99 OD1 ASP A 2 19.819 -38.261 -36.964 1.00 0.00 O ATOM 100 OD2 ASP A 2 18.771 -36.372 -37.363 1.00 0.00 O ATOM 0 H ASP A 2 22.642 -37.205 -35.000 1.00 0.00 H new ATOM 0 HA ASP A 2 21.084 -34.953 -36.125 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.088 -37.389 -34.573 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.129 -35.946 -34.833 1.00 0.00 H new ATOM 105 N PRO A 3 21.723 -33.644 -34.044 1.00 0.00 N ATOM 106 CA PRO A 3 22.077 -32.869 -32.846 1.00 0.00 C ATOM 107 C PRO A 3 20.889 -32.397 -32.000 1.00 0.00 C ATOM 108 O PRO A 3 21.081 -31.912 -30.883 1.00 0.00 O ATOM 109 CB PRO A 3 22.915 -31.700 -33.374 1.00 0.00 C ATOM 110 CG PRO A 3 22.283 -31.422 -34.738 1.00 0.00 C ATOM 111 CD PRO A 3 21.887 -32.813 -35.232 1.00 0.00 C ATOM 0 HA PRO A 3 22.620 -33.499 -32.142 1.00 0.00 H new ATOM 0 HB2 PRO A 3 22.858 -30.832 -32.717 1.00 0.00 H new ATOM 0 HB3 PRO A 3 23.969 -31.965 -33.462 1.00 0.00 H new ATOM 0 HG2 PRO A 3 21.418 -30.764 -34.654 1.00 0.00 H new ATOM 0 HG3 PRO A 3 22.986 -30.939 -35.416 1.00 0.00 H new ATOM 0 HD2 PRO A 3 20.962 -32.772 -35.807 1.00 0.00 H new ATOM 0 HD3 PRO A 3 22.653 -33.224 -35.890 1.00 0.00 H new ATOM 119 N LEU A 4 19.671 -32.572 -32.504 1.00 0.00 N ATOM 120 CA LEU A 4 18.408 -32.154 -31.886 1.00 0.00 C ATOM 121 C LEU A 4 17.570 -33.374 -31.450 1.00 0.00 C ATOM 122 O LEU A 4 16.382 -33.478 -31.747 1.00 0.00 O ATOM 123 CB LEU A 4 17.670 -31.194 -32.844 1.00 0.00 C ATOM 124 CG LEU A 4 18.386 -29.861 -33.128 1.00 0.00 C ATOM 125 CD1 LEU A 4 17.579 -29.058 -34.150 1.00 0.00 C ATOM 126 CD2 LEU A 4 18.550 -29.002 -31.872 1.00 0.00 C ATOM 0 H LEU A 4 19.526 -33.033 -33.402 1.00 0.00 H new ATOM 0 HA LEU A 4 18.602 -31.604 -30.965 1.00 0.00 H new ATOM 0 HB2 LEU A 4 17.507 -31.708 -33.791 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.687 -30.977 -32.426 1.00 0.00 H new ATOM 0 HG LEU A 4 19.378 -30.108 -33.506 1.00 0.00 H new ATOM 0 HD11 LEU A 4 18.085 -28.114 -34.352 1.00 0.00 H new ATOM 0 HD12 LEU A 4 17.493 -29.629 -35.075 1.00 0.00 H new ATOM 0 HD13 LEU A 4 16.584 -28.859 -33.752 1.00 0.00 H new ATOM 0 HD21 LEU A 4 19.061 -28.074 -32.130 1.00 0.00 H new ATOM 0 HD22 LEU A 4 17.568 -28.773 -31.457 1.00 0.00 H new ATOM 0 HD23 LEU A 4 19.138 -29.546 -31.133 1.00 0.00 H new ATOM 138 N ASP A 5 18.208 -34.314 -30.748 1.00 0.00 N ATOM 139 CA ASP A 5 17.584 -35.554 -30.244 1.00 0.00 C ATOM 140 C ASP A 5 17.595 -35.690 -28.706 1.00 0.00 C ATOM 141 O ASP A 5 17.142 -36.700 -28.162 1.00 0.00 O ATOM 142 CB ASP A 5 18.248 -36.765 -30.928 1.00 0.00 C ATOM 143 CG ASP A 5 17.208 -37.715 -31.543 1.00 0.00 C ATOM 144 OD1 ASP A 5 16.720 -38.632 -30.840 1.00 0.00 O ATOM 145 OD2 ASP A 5 16.883 -37.557 -32.744 1.00 0.00 O ATOM 0 H ASP A 5 19.196 -34.238 -30.505 1.00 0.00 H new ATOM 0 HA ASP A 5 16.526 -35.512 -30.503 1.00 0.00 H new ATOM 0 HB2 ASP A 5 18.926 -36.416 -31.706 1.00 0.00 H new ATOM 0 HB3 ASP A 5 18.851 -37.308 -30.200 1.00 0.00 H new ATOM 150 N LYS A 6 18.128 -34.678 -28.006 1.00 0.00 N ATOM 151 CA LYS A 6 18.449 -34.730 -26.560 1.00 0.00 C ATOM 152 C LYS A 6 17.677 -33.694 -25.742 1.00 0.00 C ATOM 153 O LYS A 6 16.980 -34.035 -24.786 1.00 0.00 O ATOM 154 CB LYS A 6 19.967 -34.589 -26.300 1.00 0.00 C ATOM 155 CG LYS A 6 20.886 -35.304 -27.306 1.00 0.00 C ATOM 156 CD LYS A 6 21.454 -34.385 -28.404 1.00 0.00 C ATOM 157 CE LYS A 6 22.460 -33.367 -27.843 1.00 0.00 C ATOM 158 NZ LYS A 6 23.063 -32.540 -28.921 1.00 0.00 N ATOM 0 H LYS A 6 18.355 -33.779 -28.432 1.00 0.00 H new ATOM 0 HA LYS A 6 18.130 -35.717 -26.225 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.219 -33.529 -26.296 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.183 -34.972 -25.303 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.715 -35.760 -26.764 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.330 -36.114 -27.777 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.941 -34.992 -29.168 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.636 -33.855 -28.891 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.959 -32.719 -27.124 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.248 -33.893 -27.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.443 -31.662 -28.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.832 -33.071 -29.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.336 -32.308 -29.628 1.00 0.00 H new ATOM 172 N ILE A 7 17.821 -32.427 -26.140 1.00 0.00 N ATOM 173 CA ILE A 7 17.297 -31.229 -25.456 1.00 0.00 C ATOM 174 C ILE A 7 16.505 -30.305 -26.397 1.00 0.00 C ATOM 175 O ILE A 7 16.250 -29.150 -26.057 1.00 0.00 O ATOM 176 CB ILE A 7 18.430 -30.494 -24.688 1.00 0.00 C ATOM 177 CG1 ILE A 7 19.690 -30.155 -25.522 1.00 0.00 C ATOM 178 CG2 ILE A 7 18.865 -31.338 -23.477 1.00 0.00 C ATOM 179 CD1 ILE A 7 19.478 -29.158 -26.666 1.00 0.00 C ATOM 0 H ILE A 7 18.331 -32.191 -26.991 1.00 0.00 H new ATOM 0 HA ILE A 7 16.571 -31.563 -24.715 1.00 0.00 H new ATOM 0 HB ILE A 7 17.993 -29.539 -24.395 1.00 0.00 H new ATOM 0 HG12 ILE A 7 20.451 -29.755 -24.852 1.00 0.00 H new ATOM 0 HG13 ILE A 7 20.087 -31.080 -25.939 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.660 -30.821 -22.940 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.014 -31.486 -22.812 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.230 -32.306 -23.820 1.00 0.00 H new ATOM 0 HD11 ILE A 7 20.423 -28.992 -27.184 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.746 -29.559 -27.367 1.00 0.00 H new ATOM 0 HD13 ILE A 7 19.115 -28.213 -26.262 1.00 0.00 H new ATOM 191 N ILE A 8 16.134 -30.804 -27.586 1.00 0.00 N ATOM 192 CA ILE A 8 15.366 -30.073 -28.620 1.00 0.00 C ATOM 193 C ILE A 8 14.141 -29.326 -28.029 1.00 0.00 C ATOM 194 O ILE A 8 13.130 -29.934 -27.671 1.00 0.00 O ATOM 195 CB ILE A 8 14.978 -31.018 -29.790 1.00 0.00 C ATOM 196 CG1 ILE A 8 14.291 -30.212 -30.922 1.00 0.00 C ATOM 197 CG2 ILE A 8 14.163 -32.260 -29.367 1.00 0.00 C ATOM 198 CD1 ILE A 8 13.769 -31.036 -32.108 1.00 0.00 C ATOM 0 H ILE A 8 16.365 -31.757 -27.869 1.00 0.00 H new ATOM 0 HA ILE A 8 16.016 -29.298 -29.027 1.00 0.00 H new ATOM 0 HB ILE A 8 15.909 -31.437 -30.173 1.00 0.00 H new ATOM 0 HG12 ILE A 8 13.456 -29.659 -30.493 1.00 0.00 H new ATOM 0 HG13 ILE A 8 15.000 -29.476 -31.300 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.936 -32.863 -30.246 1.00 0.00 H new ATOM 0 HG22 ILE A 8 14.744 -32.853 -28.660 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.233 -31.942 -28.895 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.308 -30.371 -32.838 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.598 -31.568 -32.574 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.029 -31.754 -31.754 1.00 0.00 H new ATOM 210 N ASN A 9 14.229 -27.993 -27.906 1.00 0.00 N ATOM 211 CA ASN A 9 13.169 -27.153 -27.311 1.00 0.00 C ATOM 212 C ASN A 9 13.166 -25.687 -27.795 1.00 0.00 C ATOM 213 O ASN A 9 12.291 -24.912 -27.409 1.00 0.00 O ATOM 214 CB ASN A 9 13.291 -27.236 -25.768 1.00 0.00 C ATOM 215 CG ASN A 9 11.955 -27.186 -25.038 1.00 0.00 C ATOM 216 OD1 ASN A 9 11.536 -28.141 -24.397 1.00 0.00 O ATOM 217 ND2 ASN A 9 11.244 -26.084 -25.088 1.00 0.00 N ATOM 0 H ASN A 9 15.041 -27.461 -28.217 1.00 0.00 H new ATOM 0 HA ASN A 9 12.211 -27.548 -27.648 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.804 -28.161 -25.503 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.916 -26.414 -25.418 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.352 -26.030 -24.596 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.583 -25.282 -25.619 1.00 0.00 H new ATOM 224 N ASP A 10 14.122 -25.273 -28.631 1.00 0.00 N ATOM 225 CA ASP A 10 14.427 -23.847 -28.845 1.00 0.00 C ATOM 226 C ASP A 10 13.542 -23.136 -29.894 1.00 0.00 C ATOM 227 O ASP A 10 13.830 -22.022 -30.337 1.00 0.00 O ATOM 228 CB ASP A 10 15.938 -23.704 -29.111 1.00 0.00 C ATOM 229 CG ASP A 10 16.453 -22.256 -28.988 1.00 0.00 C ATOM 230 OD1 ASP A 10 17.157 -21.781 -29.913 1.00 0.00 O ATOM 231 OD2 ASP A 10 16.211 -21.610 -27.939 1.00 0.00 O ATOM 0 H ASP A 10 14.705 -25.908 -29.177 1.00 0.00 H new ATOM 0 HA ASP A 10 14.167 -23.311 -27.932 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.483 -24.335 -28.409 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.159 -24.075 -30.112 1.00 0.00 H new ATOM 236 N ILE A 11 12.456 -23.797 -30.303 1.00 0.00 N ATOM 237 CA ILE A 11 11.547 -23.374 -31.383 1.00 0.00 C ATOM 238 C ILE A 11 10.082 -23.781 -31.141 1.00 0.00 C ATOM 239 O ILE A 11 9.313 -23.993 -32.081 1.00 0.00 O ATOM 240 CB ILE A 11 12.157 -23.809 -32.748 1.00 0.00 C ATOM 241 CG1 ILE A 11 11.564 -23.145 -34.011 1.00 0.00 C ATOM 242 CG2 ILE A 11 12.160 -25.340 -32.922 1.00 0.00 C ATOM 243 CD1 ILE A 11 11.562 -21.612 -33.967 1.00 0.00 C ATOM 0 H ILE A 11 12.170 -24.678 -29.876 1.00 0.00 H new ATOM 0 HA ILE A 11 11.472 -22.287 -31.401 1.00 0.00 H new ATOM 0 HB ILE A 11 13.178 -23.434 -32.677 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.132 -23.473 -34.882 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.541 -23.496 -34.147 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.595 -25.595 -33.888 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.750 -25.795 -32.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.137 -25.714 -32.874 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.131 -21.222 -34.889 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.969 -21.273 -33.117 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.585 -21.250 -33.863 1.00 0.00 H new ATOM 255 N LYS A 12 9.680 -23.881 -29.863 1.00 0.00 N ATOM 256 CA LYS A 12 8.315 -24.279 -29.468 1.00 0.00 C ATOM 257 C LYS A 12 7.561 -23.243 -28.618 1.00 0.00 C ATOM 258 O LYS A 12 6.395 -22.964 -28.902 1.00 0.00 O ATOM 259 CB LYS A 12 8.376 -25.658 -28.778 1.00 0.00 C ATOM 260 CG LYS A 12 7.025 -26.398 -28.755 1.00 0.00 C ATOM 261 CD LYS A 12 6.579 -26.958 -30.119 1.00 0.00 C ATOM 262 CE LYS A 12 7.487 -28.073 -30.659 1.00 0.00 C ATOM 263 NZ LYS A 12 7.327 -29.346 -29.906 1.00 0.00 N ATOM 0 H LYS A 12 10.293 -23.688 -29.071 1.00 0.00 H new ATOM 0 HA LYS A 12 7.724 -24.341 -30.381 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.112 -26.278 -29.290 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.726 -25.527 -27.754 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.088 -27.220 -28.042 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.258 -25.716 -28.388 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.563 -27.342 -30.029 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.549 -26.144 -30.843 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.261 -28.245 -31.711 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.527 -27.750 -30.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.959 -30.068 -30.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.568 -29.191 -28.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.342 -29.670 -29.978 1.00 0.00 H new ATOM 608 N LEU A 35 -10.076 3.588 0.219 1.00 0.00 N ATOM 609 CA LEU A 35 -9.290 4.113 1.341 1.00 0.00 C ATOM 610 C LEU A 35 -9.879 5.440 1.856 1.00 0.00 C ATOM 611 O LEU A 35 -10.551 6.160 1.110 1.00 0.00 O ATOM 612 CB LEU A 35 -7.842 4.301 0.854 1.00 0.00 C ATOM 613 CG LEU A 35 -7.146 2.983 0.463 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.901 3.281 -0.361 1.00 0.00 C ATOM 615 CD2 LEU A 35 -6.743 2.176 1.694 1.00 0.00 C ATOM 0 HA LEU A 35 -9.315 3.413 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.841 4.971 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.264 4.788 1.639 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.855 2.396 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.413 2.345 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.183 3.821 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.214 3.891 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.255 1.253 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.055 2.761 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.631 1.936 2.279 1.00 0.00 H new ATOM 627 N SER A 36 -9.592 5.789 3.114 1.00 0.00 N ATOM 628 CA SER A 36 -9.901 7.125 3.667 1.00 0.00 C ATOM 629 C SER A 36 -8.943 8.174 3.088 1.00 0.00 C ATOM 630 O SER A 36 -7.904 7.811 2.545 1.00 0.00 O ATOM 631 CB SER A 36 -9.821 7.110 5.199 1.00 0.00 C ATOM 632 OG SER A 36 -10.791 6.223 5.735 1.00 0.00 O ATOM 0 H SER A 36 -9.141 5.162 3.780 1.00 0.00 H new ATOM 0 HA SER A 36 -10.920 7.389 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.824 6.803 5.515 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.983 8.115 5.588 1.00 0.00 H new ATOM 0 HG SER A 36 -10.728 6.222 6.713 1.00 0.00 H new ATOM 638 N GLU A 37 -9.232 9.474 3.212 1.00 0.00 N ATOM 639 CA GLU A 37 -8.400 10.537 2.611 1.00 0.00 C ATOM 640 C GLU A 37 -6.921 10.454 3.042 1.00 0.00 C ATOM 641 O GLU A 37 -6.023 10.507 2.202 1.00 0.00 O ATOM 642 CB GLU A 37 -9.009 11.906 2.958 1.00 0.00 C ATOM 643 CG GLU A 37 -8.272 13.079 2.294 1.00 0.00 C ATOM 644 CD GLU A 37 -8.971 14.416 2.603 1.00 0.00 C ATOM 645 OE1 GLU A 37 -9.824 14.863 1.797 1.00 0.00 O ATOM 646 OE2 GLU A 37 -8.669 15.038 3.652 1.00 0.00 O ATOM 0 H GLU A 37 -10.041 9.823 3.726 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.400 10.398 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.054 11.920 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.993 12.040 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.242 13.113 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.234 12.925 1.216 1.00 0.00 H new ATOM 653 N GLN A 38 -6.662 10.229 4.334 1.00 0.00 N ATOM 654 CA GLN A 38 -5.308 10.046 4.870 1.00 0.00 C ATOM 655 C GLN A 38 -4.703 8.714 4.406 1.00 0.00 C ATOM 656 O GLN A 38 -3.546 8.669 3.995 1.00 0.00 O ATOM 657 CB GLN A 38 -5.362 10.123 6.406 1.00 0.00 C ATOM 658 CG GLN A 38 -3.967 10.145 7.053 1.00 0.00 C ATOM 659 CD GLN A 38 -4.036 9.853 8.549 1.00 0.00 C ATOM 660 OE1 GLN A 38 -4.048 10.743 9.392 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.103 8.594 8.937 1.00 0.00 N ATOM 0 H GLN A 38 -7.392 10.168 5.044 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.663 10.839 4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.908 11.019 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.921 9.269 6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.328 9.407 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.507 11.120 6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.094 7.846 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.164 8.369 9.930 1.00 0.00 H new ATOM 670 N GLN A 39 -5.484 7.629 4.424 1.00 0.00 N ATOM 671 CA GLN A 39 -5.022 6.308 3.988 1.00 0.00 C ATOM 672 C GLN A 39 -4.658 6.286 2.496 1.00 0.00 C ATOM 673 O GLN A 39 -3.623 5.739 2.127 1.00 0.00 O ATOM 674 CB GLN A 39 -6.040 5.230 4.373 1.00 0.00 C ATOM 675 CG GLN A 39 -5.995 4.911 5.878 1.00 0.00 C ATOM 676 CD GLN A 39 -6.884 3.724 6.252 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.975 3.538 5.728 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.461 2.876 7.167 1.00 0.00 N ATOM 0 H GLN A 39 -6.453 7.642 4.741 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.096 6.080 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.042 5.563 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.841 4.322 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.967 4.697 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.310 5.789 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.554 3.017 7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.040 2.078 7.430 1.00 0.00 H new ATOM 687 N LYS A 40 -5.420 6.969 1.638 1.00 0.00 N ATOM 688 CA LYS A 40 -5.095 7.130 0.215 1.00 0.00 C ATOM 689 C LYS A 40 -3.758 7.865 0.038 1.00 0.00 C ATOM 690 O LYS A 40 -2.950 7.450 -0.790 1.00 0.00 O ATOM 691 CB LYS A 40 -6.264 7.869 -0.458 1.00 0.00 C ATOM 692 CG LYS A 40 -6.035 8.098 -1.961 1.00 0.00 C ATOM 693 CD LYS A 40 -7.223 8.801 -2.633 1.00 0.00 C ATOM 694 CE LYS A 40 -8.448 7.883 -2.755 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.551 8.544 -3.501 1.00 0.00 N ATOM 0 H LYS A 40 -6.287 7.430 1.912 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.968 6.158 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.180 7.295 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.412 8.831 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.135 8.697 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.860 7.139 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.491 9.687 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.927 9.143 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.164 6.961 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.796 7.604 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.363 7.897 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.837 9.410 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.226 8.787 -4.458 1.00 0.00 H new ATOM 709 N ILE A 41 -3.477 8.894 0.847 1.00 0.00 N ATOM 710 CA ILE A 41 -2.187 9.608 0.820 1.00 0.00 C ATOM 711 C ILE A 41 -1.045 8.736 1.355 1.00 0.00 C ATOM 712 O ILE A 41 0.021 8.761 0.755 1.00 0.00 O ATOM 713 CB ILE A 41 -2.255 10.949 1.575 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.300 11.897 0.937 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.889 11.664 1.610 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.786 12.990 1.895 1.00 0.00 C ATOM 0 H ILE A 41 -4.133 9.257 1.538 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.975 9.830 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.551 10.711 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.866 12.364 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.155 11.311 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.985 12.605 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.159 11.029 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.557 11.864 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.516 13.620 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.249 12.529 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.939 13.599 2.212 1.00 0.00 H new ATOM 728 N ILE A 42 -1.227 7.932 2.411 1.00 0.00 N ATOM 729 CA ILE A 42 -0.162 7.032 2.901 1.00 0.00 C ATOM 730 C ILE A 42 0.176 5.982 1.839 1.00 0.00 C ATOM 731 O ILE A 42 1.346 5.713 1.558 1.00 0.00 O ATOM 732 CB ILE A 42 -0.548 6.353 4.230 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.757 7.376 5.368 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.556 5.365 4.651 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.664 6.805 6.462 1.00 0.00 C ATOM 0 H ILE A 42 -2.096 7.883 2.944 1.00 0.00 H new ATOM 0 HA ILE A 42 0.721 7.641 3.093 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.490 5.831 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.207 7.650 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.198 8.288 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.278 4.888 5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.677 4.604 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.495 5.903 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.794 7.546 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.635 6.555 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.209 5.907 6.880 1.00 0.00 H new ATOM 747 N LEU A 43 -0.859 5.421 1.213 1.00 0.00 N ATOM 748 CA LEU A 43 -0.731 4.452 0.127 1.00 0.00 C ATOM 749 C LEU A 43 0.042 5.056 -1.059 1.00 0.00 C ATOM 750 O LEU A 43 0.999 4.461 -1.558 1.00 0.00 O ATOM 751 CB LEU A 43 -2.157 3.989 -0.242 1.00 0.00 C ATOM 752 CG LEU A 43 -2.305 2.831 -1.239 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.194 3.270 -2.697 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.299 1.717 -0.962 1.00 0.00 C ATOM 0 H LEU A 43 -1.828 5.632 1.452 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.147 3.584 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.664 3.703 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.692 4.848 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.315 2.450 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.308 2.403 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.977 3.995 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.218 3.725 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.435 0.915 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.287 2.113 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.456 1.326 0.043 1.00 0.00 H new ATOM 766 N ALA A 44 -0.332 6.270 -1.463 1.00 0.00 N ATOM 767 CA ALA A 44 0.279 6.991 -2.568 1.00 0.00 C ATOM 768 C ALA A 44 1.709 7.453 -2.260 1.00 0.00 C ATOM 769 O ALA A 44 2.611 7.195 -3.055 1.00 0.00 O ATOM 770 CB ALA A 44 -0.621 8.181 -2.895 1.00 0.00 C ATOM 0 H ALA A 44 -1.088 6.788 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 44 0.368 6.321 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.191 8.746 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.611 7.822 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.704 8.826 -2.020 1.00 0.00 H new ATOM 776 N GLU A 45 1.948 8.096 -1.110 1.00 0.00 N ATOM 777 CA GLU A 45 3.268 8.640 -0.758 1.00 0.00 C ATOM 778 C GLU A 45 4.341 7.551 -0.593 1.00 0.00 C ATOM 779 O GLU A 45 5.528 7.822 -0.778 1.00 0.00 O ATOM 780 CB GLU A 45 3.174 9.567 0.471 1.00 0.00 C ATOM 781 CG GLU A 45 3.272 8.871 1.837 1.00 0.00 C ATOM 782 CD GLU A 45 3.072 9.858 3.008 1.00 0.00 C ATOM 783 OE1 GLU A 45 2.349 9.521 3.976 1.00 0.00 O ATOM 784 OE2 GLU A 45 3.671 10.963 2.999 1.00 0.00 O ATOM 0 H GLU A 45 1.235 8.254 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 45 3.599 9.246 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.968 10.310 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.228 10.106 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.522 8.082 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.247 8.392 1.930 1.00 0.00 H new ATOM 791 N TYR A 46 3.929 6.310 -0.308 1.00 0.00 N ATOM 792 CA TYR A 46 4.809 5.150 -0.239 1.00 0.00 C ATOM 793 C TYR A 46 5.330 4.777 -1.640 1.00 0.00 C ATOM 794 O TYR A 46 6.531 4.860 -1.903 1.00 0.00 O ATOM 795 CB TYR A 46 4.044 4.015 0.469 1.00 0.00 C ATOM 796 CG TYR A 46 4.791 2.727 0.766 1.00 0.00 C ATOM 797 CD1 TYR A 46 4.052 1.599 1.183 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.197 2.649 0.669 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.717 0.393 1.472 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.859 1.445 0.961 1.00 0.00 C ATOM 801 CZ TYR A 46 6.120 0.311 1.347 1.00 0.00 C ATOM 802 OH TYR A 46 6.759 -0.865 1.573 1.00 0.00 O ATOM 0 H TYR A 46 2.953 6.085 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 46 5.704 5.365 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.665 4.406 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.177 3.765 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.978 1.661 1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.765 3.517 0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.153 -0.471 1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.935 1.389 0.889 1.00 0.00 H new ATOM 0 HH TYR A 46 7.723 -0.744 1.442 1.00 0.00 H new ATOM 812 N ILE A 47 4.435 4.464 -2.583 1.00 0.00 N ATOM 813 CA ILE A 47 4.751 4.148 -3.981 1.00 0.00 C ATOM 814 C ILE A 47 5.443 5.327 -4.682 1.00 0.00 C ATOM 815 O ILE A 47 6.336 5.120 -5.498 1.00 0.00 O ATOM 816 CB ILE A 47 3.426 3.795 -4.681 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.902 2.458 -4.115 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.547 3.705 -6.213 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.389 2.284 -4.304 1.00 0.00 C ATOM 0 H ILE A 47 3.435 4.422 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 47 5.447 3.310 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 47 2.727 4.606 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.422 1.634 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.140 2.400 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.577 3.453 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.880 4.665 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.271 2.934 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.078 1.326 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.863 3.090 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.150 2.312 -5.367 1.00 0.00 H new ATOM 831 N ALA A 48 5.090 6.567 -4.342 1.00 0.00 N ATOM 832 CA ALA A 48 5.726 7.770 -4.879 1.00 0.00 C ATOM 833 C ALA A 48 7.196 7.936 -4.430 1.00 0.00 C ATOM 834 O ALA A 48 7.967 8.632 -5.095 1.00 0.00 O ATOM 835 CB ALA A 48 4.875 8.966 -4.450 1.00 0.00 C ATOM 0 H ALA A 48 4.343 6.767 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 48 5.773 7.692 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.319 9.885 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.867 8.857 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.832 9.010 -3.362 1.00 0.00 H new ATOM 841 N GLU A 49 7.600 7.289 -3.330 1.00 0.00 N ATOM 842 CA GLU A 49 8.967 7.317 -2.798 1.00 0.00 C ATOM 843 C GLU A 49 9.806 6.090 -3.207 1.00 0.00 C ATOM 844 O GLU A 49 11.018 6.232 -3.385 1.00 0.00 O ATOM 845 CB GLU A 49 8.899 7.495 -1.271 1.00 0.00 C ATOM 846 CG GLU A 49 10.277 7.702 -0.630 1.00 0.00 C ATOM 847 CD GLU A 49 10.148 8.134 0.843 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.067 7.256 1.737 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.148 9.358 1.123 1.00 0.00 O ATOM 0 H GLU A 49 6.968 6.716 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 49 9.490 8.165 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.264 8.350 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.427 6.618 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.852 6.778 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.830 8.459 -1.186 1.00 0.00 H new ATOM 856 N VAL A 50 9.200 4.904 -3.395 1.00 0.00 N ATOM 857 CA VAL A 50 9.941 3.652 -3.658 1.00 0.00 C ATOM 858 C VAL A 50 9.555 2.960 -4.965 1.00 0.00 C ATOM 859 O VAL A 50 10.328 2.151 -5.465 1.00 0.00 O ATOM 860 CB VAL A 50 9.853 2.665 -2.471 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.202 3.334 -1.135 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.492 1.971 -2.325 1.00 0.00 C ATOM 0 H VAL A 50 8.187 4.784 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 50 10.979 3.965 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 50 10.592 1.902 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.126 2.602 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.219 3.723 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.508 4.153 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.517 1.297 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.716 2.721 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.275 1.402 -3.229 1.00 0.00 H new ATOM 872 N GLY A 51 8.395 3.261 -5.545 1.00 0.00 N ATOM 873 CA GLY A 51 7.828 2.562 -6.701 1.00 0.00 C ATOM 874 C GLY A 51 7.065 1.292 -6.313 1.00 0.00 C ATOM 875 O GLY A 51 7.433 0.571 -5.384 1.00 0.00 O ATOM 0 H GLY A 51 7.803 4.023 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.156 3.235 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.630 2.301 -7.391 1.00 0.00 H new ATOM 879 N LEU A 52 6.010 0.975 -7.071 1.00 0.00 N ATOM 880 CA LEU A 52 5.079 -0.143 -6.812 1.00 0.00 C ATOM 881 C LEU A 52 5.755 -1.539 -6.835 1.00 0.00 C ATOM 882 O LEU A 52 5.204 -2.549 -6.404 1.00 0.00 O ATOM 883 CB LEU A 52 3.960 -0.060 -7.876 1.00 0.00 C ATOM 884 CG LEU A 52 2.713 -0.935 -7.626 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.770 -0.288 -6.621 1.00 0.00 C ATOM 886 CD2 LEU A 52 1.938 -1.133 -8.923 1.00 0.00 C ATOM 0 H LEU A 52 5.768 1.502 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 52 4.685 -0.040 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.639 0.979 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.384 -0.337 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 52 3.067 -1.889 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.903 -0.931 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.289 -0.148 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.442 0.680 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.061 -1.752 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.621 -0.164 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.576 -1.625 -9.657 1.00 0.00 H new ATOM 898 N GLN A 53 6.980 -1.569 -7.344 1.00 0.00 N ATOM 899 CA GLN A 53 7.855 -2.740 -7.480 1.00 0.00 C ATOM 900 C GLN A 53 8.730 -3.022 -6.239 1.00 0.00 C ATOM 901 O GLN A 53 9.263 -4.128 -6.119 1.00 0.00 O ATOM 902 CB GLN A 53 8.693 -2.574 -8.763 1.00 0.00 C ATOM 903 CG GLN A 53 9.764 -1.471 -8.663 1.00 0.00 C ATOM 904 CD GLN A 53 10.359 -1.119 -10.021 1.00 0.00 C ATOM 905 OE1 GLN A 53 11.395 -1.623 -10.437 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.731 -0.239 -10.770 1.00 0.00 N ATOM 0 H GLN A 53 7.424 -0.722 -7.698 1.00 0.00 H new ATOM 0 HA GLN A 53 7.225 -3.626 -7.558 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.180 -3.521 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.027 -2.347 -9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.323 -0.578 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.560 -1.799 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.867 0.190 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.108 0.015 -11.683 1.00 0.00 H new ATOM 915 N ASN A 54 8.884 -2.055 -5.321 1.00 0.00 N ATOM 916 CA ASN A 54 9.722 -2.178 -4.112 1.00 0.00 C ATOM 917 C ASN A 54 8.935 -2.227 -2.793 1.00 0.00 C ATOM 918 O ASN A 54 9.494 -2.573 -1.749 1.00 0.00 O ATOM 919 CB ASN A 54 10.768 -1.056 -4.097 1.00 0.00 C ATOM 920 CG ASN A 54 11.725 -1.126 -5.273 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.444 -2.094 -5.475 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.757 -0.100 -6.088 1.00 0.00 N ATOM 0 H ASN A 54 8.423 -1.149 -5.397 1.00 0.00 H new ATOM 0 HA ASN A 54 10.215 -3.148 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.260 -0.092 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.337 -1.108 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.383 -0.108 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.156 0.706 -5.917 1.00 0.00 H new ATOM 929 N ILE A 55 7.640 -1.919 -2.841 1.00 0.00 N ATOM 930 CA ILE A 55 6.703 -2.143 -1.729 1.00 0.00 C ATOM 931 C ILE A 55 6.470 -3.642 -1.474 1.00 0.00 C ATOM 932 O ILE A 55 6.614 -4.476 -2.372 1.00 0.00 O ATOM 933 CB ILE A 55 5.363 -1.401 -1.942 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.596 -1.919 -3.172 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.587 0.113 -2.065 1.00 0.00 C ATOM 936 CD1 ILE A 55 3.205 -1.306 -3.319 1.00 0.00 C ATOM 0 H ILE A 55 7.201 -1.501 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 55 7.170 -1.724 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 55 4.753 -1.603 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.176 -1.705 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.502 -3.003 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.629 0.612 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.053 0.487 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.238 0.317 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.719 -1.714 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.609 -1.542 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.293 -0.224 -3.419 1.00 0.00 H new ATOM 948 N THR A 56 6.053 -3.981 -0.255 1.00 0.00 N ATOM 949 CA THR A 56 5.655 -5.330 0.171 1.00 0.00 C ATOM 950 C THR A 56 4.318 -5.264 0.897 1.00 0.00 C ATOM 951 O THR A 56 4.091 -4.342 1.675 1.00 0.00 O ATOM 952 CB THR A 56 6.720 -5.965 1.090 1.00 0.00 C ATOM 953 OG1 THR A 56 7.355 -5.020 1.923 1.00 0.00 O ATOM 954 CG2 THR A 56 7.808 -6.660 0.275 1.00 0.00 C ATOM 0 H THR A 56 5.979 -3.297 0.498 1.00 0.00 H new ATOM 0 HA THR A 56 5.561 -5.954 -0.717 1.00 0.00 H new ATOM 0 HB THR A 56 6.179 -6.682 1.707 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.122 -5.438 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.544 -7.098 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.361 -7.446 -0.334 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.297 -5.933 -0.373 1.00 0.00 H new ATOM 962 N ALA A 57 3.437 -6.250 0.706 1.00 0.00 N ATOM 963 CA ALA A 57 2.141 -6.327 1.385 1.00 0.00 C ATOM 964 C ALA A 57 2.289 -6.470 2.908 1.00 0.00 C ATOM 965 O ALA A 57 1.422 -6.029 3.653 1.00 0.00 O ATOM 966 CB ALA A 57 1.354 -7.505 0.799 1.00 0.00 C ATOM 0 H ALA A 57 3.606 -7.027 0.067 1.00 0.00 H new ATOM 0 HA ALA A 57 1.602 -5.395 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.385 -7.577 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.205 -7.348 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.911 -8.429 0.956 1.00 0.00 H new ATOM 972 N ILE A 58 3.412 -7.020 3.376 1.00 0.00 N ATOM 973 CA ILE A 58 3.785 -7.103 4.794 1.00 0.00 C ATOM 974 C ILE A 58 3.960 -5.691 5.363 1.00 0.00 C ATOM 975 O ILE A 58 3.406 -5.348 6.405 1.00 0.00 O ATOM 976 CB ILE A 58 5.103 -7.904 4.938 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.936 -9.427 4.712 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.688 -7.720 6.355 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.514 -9.872 3.305 1.00 0.00 C ATOM 0 H ILE A 58 4.111 -7.434 2.760 1.00 0.00 H new ATOM 0 HA ILE A 58 2.998 -7.613 5.349 1.00 0.00 H new ATOM 0 HB ILE A 58 5.763 -7.509 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.881 -9.913 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.197 -9.798 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.614 -8.288 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.892 -6.664 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.971 -8.078 7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.432 -10.959 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.550 -9.428 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.260 -9.545 2.581 1.00 0.00 H new ATOM 991 N THR A 59 4.729 -4.862 4.660 1.00 0.00 N ATOM 992 CA THR A 59 5.045 -3.494 5.072 1.00 0.00 C ATOM 993 C THR A 59 3.851 -2.574 4.850 1.00 0.00 C ATOM 994 O THR A 59 3.514 -1.788 5.725 1.00 0.00 O ATOM 995 CB THR A 59 6.272 -3.006 4.299 1.00 0.00 C ATOM 996 OG1 THR A 59 7.372 -3.838 4.587 1.00 0.00 O ATOM 997 CG2 THR A 59 6.684 -1.585 4.658 1.00 0.00 C ATOM 0 H THR A 59 5.158 -5.126 3.773 1.00 0.00 H new ATOM 0 HA THR A 59 5.271 -3.480 6.138 1.00 0.00 H new ATOM 0 HB THR A 59 5.994 -3.033 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.536 -4.437 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.560 -1.302 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.864 -0.902 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.923 -1.533 5.720 1.00 0.00 H new ATOM 1005 N LEU A 60 3.145 -2.706 3.726 1.00 0.00 N ATOM 1006 CA LEU A 60 1.951 -1.927 3.398 1.00 0.00 C ATOM 1007 C LEU A 60 0.769 -2.259 4.336 1.00 0.00 C ATOM 1008 O LEU A 60 0.055 -1.352 4.758 1.00 0.00 O ATOM 1009 CB LEU A 60 1.692 -2.114 1.890 1.00 0.00 C ATOM 1010 CG LEU A 60 0.836 -1.013 1.247 1.00 0.00 C ATOM 1011 CD1 LEU A 60 1.279 -0.811 -0.198 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.633 -1.416 1.233 1.00 0.00 C ATOM 0 H LEU A 60 3.395 -3.376 2.999 1.00 0.00 H new ATOM 0 HA LEU A 60 2.094 -0.862 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.651 -2.159 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.201 -3.075 1.735 1.00 0.00 H new ATOM 0 HG LEU A 60 0.961 -0.098 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.674 -0.030 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.328 -0.517 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.152 -1.742 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.223 -0.623 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.753 -2.336 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.976 -1.578 2.255 1.00 0.00 H new ATOM 1024 N SER A 61 0.660 -3.510 4.807 1.00 0.00 N ATOM 1025 CA SER A 61 -0.207 -3.914 5.930 1.00 0.00 C ATOM 1026 C SER A 61 0.036 -3.096 7.197 1.00 0.00 C ATOM 1027 O SER A 61 -0.887 -2.749 7.937 1.00 0.00 O ATOM 1028 CB SER A 61 -0.046 -5.411 6.216 1.00 0.00 C ATOM 1029 OG SER A 61 -0.839 -5.827 7.311 1.00 0.00 O ATOM 0 H SER A 61 1.184 -4.290 4.410 1.00 0.00 H new ATOM 0 HA SER A 61 -1.233 -3.712 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.323 -5.982 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.002 -5.631 6.422 1.00 0.00 H new ATOM 0 HG SER A 61 -0.711 -6.787 7.462 1.00 0.00 H new ATOM 1035 N LYS A 62 1.286 -2.698 7.393 1.00 0.00 N ATOM 1036 CA LYS A 62 1.768 -1.993 8.583 1.00 0.00 C ATOM 1037 C LYS A 62 1.854 -0.473 8.405 1.00 0.00 C ATOM 1038 O LYS A 62 1.755 0.253 9.394 1.00 0.00 O ATOM 1039 CB LYS A 62 3.097 -2.604 9.050 1.00 0.00 C ATOM 1040 CG LYS A 62 2.902 -4.046 9.548 1.00 0.00 C ATOM 1041 CD LYS A 62 4.241 -4.650 9.973 1.00 0.00 C ATOM 1042 CE LYS A 62 4.052 -6.109 10.404 1.00 0.00 C ATOM 1043 NZ LYS A 62 5.333 -6.719 10.848 1.00 0.00 N ATOM 0 H LYS A 62 2.022 -2.861 6.706 1.00 0.00 H new ATOM 0 HA LYS A 62 1.024 -2.134 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.813 -2.594 8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.520 -1.995 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.208 -4.056 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.456 -4.652 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.951 -4.596 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.664 -4.072 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.325 -6.158 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.643 -6.684 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.168 -7.706 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.019 -6.694 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.710 -6.185 11.656 1.00 0.00 H new ATOM 1057 N LYS A 63 1.956 0.028 7.163 1.00 0.00 N ATOM 1058 CA LYS A 63 1.961 1.462 6.834 1.00 0.00 C ATOM 1059 C LYS A 63 0.592 2.097 7.086 1.00 0.00 C ATOM 1060 O LYS A 63 0.508 3.222 7.574 1.00 0.00 O ATOM 1061 CB LYS A 63 2.373 1.608 5.359 1.00 0.00 C ATOM 1062 CG LYS A 63 3.854 1.261 5.111 1.00 0.00 C ATOM 1063 CD LYS A 63 4.668 2.478 4.664 1.00 0.00 C ATOM 1064 CE LYS A 63 6.153 2.144 4.483 1.00 0.00 C ATOM 1065 NZ LYS A 63 6.877 2.052 5.779 1.00 0.00 N ATOM 0 H LYS A 63 2.039 -0.568 6.340 1.00 0.00 H new ATOM 0 HA LYS A 63 2.670 1.985 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.746 0.960 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.186 2.632 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.287 0.852 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.920 0.483 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.265 2.858 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.563 3.274 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.247 1.198 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.621 2.908 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.876 1.824 5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.812 2.962 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.450 1.305 6.363 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.473 1.349 6.780 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.870 1.796 6.856 1.00 0.00 C ATOM 1081 C LEU A 64 -2.663 1.182 8.025 1.00 0.00 C ATOM 1082 O LEU A 64 -3.830 1.527 8.214 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.525 1.520 5.493 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.882 2.353 4.366 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.135 1.504 3.342 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.933 3.142 3.613 1.00 0.00 C ATOM 0 H LEU A 64 -0.385 0.384 6.462 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.882 2.864 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.437 0.460 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.590 1.747 5.549 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.172 3.011 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.706 2.151 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.337 0.952 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.827 0.801 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.456 3.722 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.657 2.456 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.443 3.817 4.300 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.032 0.312 8.823 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.639 -0.455 9.922 1.00 0.00 C ATOM 1100 C ASN A 65 -3.818 -1.339 9.450 1.00 0.00 C ATOM 1101 O ASN A 65 -4.907 -1.321 10.033 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.981 0.464 11.117 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.849 1.391 11.524 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -0.936 1.018 12.247 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.871 2.626 11.070 1.00 0.00 N ATOM 0 H ASN A 65 -1.037 0.113 8.716 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.896 -1.164 10.285 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.855 1.064 10.863 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.256 -0.155 11.971 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.125 3.275 11.321 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.634 2.934 10.467 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.603 -2.089 8.365 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.591 -2.955 7.704 1.00 0.00 C ATOM 1114 C ILE A 66 -4.220 -4.442 7.869 1.00 0.00 C ATOM 1115 O ILE A 66 -3.487 -4.806 8.792 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.760 -2.513 6.230 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.428 -2.552 5.445 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.468 -1.154 6.157 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.497 -2.003 4.021 1.00 0.00 C ATOM 0 H ILE A 66 -2.695 -2.112 7.901 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.564 -2.846 8.183 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.402 -3.238 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.681 -1.985 6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.079 -3.584 5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.579 -0.857 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.452 -1.231 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.876 -0.407 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.514 -2.074 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.216 -2.583 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.811 -0.959 4.048 1.00 0.00 H new ATOM 1131 N THR A 67 -4.745 -5.312 7.002 1.00 0.00 N ATOM 1132 CA THR A 67 -4.312 -6.709 6.854 1.00 0.00 C ATOM 1133 C THR A 67 -3.392 -6.881 5.644 1.00 0.00 C ATOM 1134 O THR A 67 -3.429 -6.091 4.695 1.00 0.00 O ATOM 1135 CB THR A 67 -5.509 -7.665 6.728 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.191 -7.419 5.516 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.509 -7.529 7.875 1.00 0.00 C ATOM 0 H THR A 67 -5.502 -5.061 6.366 1.00 0.00 H new ATOM 0 HA THR A 67 -3.759 -6.962 7.759 1.00 0.00 H new ATOM 0 HB THR A 67 -5.100 -8.675 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.952 -8.031 5.439 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.330 -8.231 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.011 -7.747 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.901 -6.512 7.898 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.626 -7.979 5.613 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.867 -8.392 4.415 1.00 0.00 C ATOM 1147 C VAL A 68 -2.809 -8.682 3.238 1.00 0.00 C ATOM 1148 O VAL A 68 -2.412 -8.527 2.089 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.959 -9.607 4.721 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.129 -10.061 3.510 1.00 0.00 C ATOM 1151 CG2 VAL A 68 0.041 -9.274 5.838 1.00 0.00 C ATOM 0 H VAL A 68 -2.512 -8.606 6.410 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.221 -7.563 4.126 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.642 -10.405 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.486 -10.916 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.797 -10.345 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.514 -9.244 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.668 -10.143 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.667 -8.437 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.502 -9.005 6.744 1.00 0.00 H new ATOM 1161 N GLU A 69 -4.078 -9.023 3.486 1.00 0.00 N ATOM 1162 CA GLU A 69 -5.045 -9.357 2.442 1.00 0.00 C ATOM 1163 C GLU A 69 -5.567 -8.085 1.779 1.00 0.00 C ATOM 1164 O GLU A 69 -5.688 -8.063 0.553 1.00 0.00 O ATOM 1165 CB GLU A 69 -6.198 -10.193 3.022 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.729 -11.565 3.524 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.919 -12.401 4.031 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -7.553 -13.120 3.219 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -7.225 -12.356 5.248 1.00 0.00 O ATOM 0 H GLU A 69 -4.464 -9.075 4.429 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.547 -9.957 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.662 -9.647 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.964 -10.330 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.222 -12.097 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.003 -11.434 4.327 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.770 -6.991 2.539 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.004 -5.675 1.943 1.00 0.00 C ATOM 1178 C LYS A 70 -4.776 -5.209 1.179 1.00 0.00 C ATOM 1179 O LYS A 70 -4.869 -4.865 0.004 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.343 -4.596 2.981 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.779 -4.617 3.512 1.00 0.00 C ATOM 1182 CD LYS A 70 -8.161 -3.173 3.884 1.00 0.00 C ATOM 1183 CE LYS A 70 -9.465 -3.029 4.672 1.00 0.00 C ATOM 1184 NZ LYS A 70 -10.650 -3.522 3.920 1.00 0.00 N ATOM 0 H LYS A 70 -5.775 -6.999 3.559 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.859 -5.801 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.661 -4.702 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.153 -3.618 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.460 -5.011 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.856 -5.269 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.351 -2.739 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.242 -2.588 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.380 -3.579 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.614 -1.981 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.505 -3.401 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.751 -2.981 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.524 -4.530 3.696 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.629 -5.222 1.849 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.385 -4.661 1.344 1.00 0.00 C ATOM 1200 C ALA A 71 -1.935 -5.305 0.020 1.00 0.00 C ATOM 1201 O ALA A 71 -1.460 -4.618 -0.884 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.333 -4.851 2.436 1.00 0.00 C ATOM 0 H ALA A 71 -3.538 -5.632 2.778 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.528 -3.605 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.380 -4.443 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.650 -4.332 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.217 -5.914 2.649 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.144 -6.620 -0.113 1.00 0.00 N ATOM 1209 CA LYS A 72 -1.835 -7.410 -1.300 1.00 0.00 C ATOM 1210 C LYS A 72 -2.873 -7.217 -2.396 1.00 0.00 C ATOM 1211 O LYS A 72 -2.502 -7.250 -3.566 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.725 -8.877 -0.852 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.360 -9.874 -1.955 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.202 -11.291 -1.371 1.00 0.00 C ATOM 1215 CE LYS A 72 0.077 -11.499 -0.541 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.297 -11.577 -1.389 1.00 0.00 N ATOM 0 H LYS A 72 -2.550 -7.181 0.636 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.893 -7.083 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.976 -8.943 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.677 -9.178 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.134 -9.875 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.432 -9.568 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.066 -11.511 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.210 -12.011 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.183 -10.679 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.016 -12.415 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.132 -11.717 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.210 -12.375 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.403 -10.693 -1.926 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.141 -6.958 -2.052 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.188 -6.753 -3.058 1.00 0.00 C ATOM 1232 C ASN A 73 -4.830 -5.604 -4.021 1.00 0.00 C ATOM 1233 O ASN A 73 -4.966 -5.759 -5.234 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.574 -6.576 -2.392 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.205 -5.217 -2.636 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.874 -4.995 -3.632 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -6.944 -4.255 -1.786 1.00 0.00 N ATOM 0 H ASN A 73 -4.465 -6.886 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.251 -7.652 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.246 -7.350 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.472 -6.731 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.301 -3.314 -1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.384 -4.447 -0.955 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.298 -4.499 -3.484 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.873 -3.334 -4.248 1.00 0.00 C ATOM 1246 C TYR A 74 -2.752 -3.731 -5.210 1.00 0.00 C ATOM 1247 O TYR A 74 -2.871 -3.555 -6.413 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.386 -2.232 -3.295 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.389 -1.812 -2.240 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -4.052 -1.925 -0.878 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.653 -1.313 -2.621 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.992 -1.569 0.108 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.596 -0.962 -1.636 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.280 -1.126 -0.271 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.231 -0.881 0.667 1.00 0.00 O ATOM 0 H TYR A 74 -4.150 -4.394 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.717 -2.953 -4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.480 -2.577 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.113 -1.357 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.075 -2.284 -0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.897 -1.200 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.729 -1.634 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.559 -0.568 -1.925 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.055 -0.583 0.228 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.706 -4.388 -4.702 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.540 -4.830 -5.484 1.00 0.00 C ATOM 1267 C ILE A 75 -0.943 -5.848 -6.578 1.00 0.00 C ATOM 1268 O ILE A 75 -0.297 -5.948 -7.622 1.00 0.00 O ATOM 1269 CB ILE A 75 0.537 -5.380 -4.507 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.917 -4.311 -3.446 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.803 -5.831 -5.262 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.822 -4.810 -2.311 1.00 0.00 C ATOM 0 H ILE A 75 -1.641 -4.635 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.112 -3.984 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 75 0.106 -6.246 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.416 -3.483 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.001 -3.913 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.536 -6.210 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.544 -6.619 -5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.226 -4.984 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.029 -3.990 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.321 -5.616 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.759 -5.179 -2.728 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.055 -6.570 -6.387 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.599 -7.589 -7.290 1.00 0.00 C ATOM 1286 C LYS A 76 -3.533 -7.012 -8.364 1.00 0.00 C ATOM 1287 O LYS A 76 -3.603 -7.598 -9.444 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.280 -8.665 -6.423 1.00 0.00 C ATOM 1289 CG LYS A 76 -3.530 -10.007 -7.130 1.00 0.00 C ATOM 1290 CD LYS A 76 -2.269 -10.847 -7.402 1.00 0.00 C ATOM 1291 CE LYS A 76 -1.620 -11.353 -6.104 1.00 0.00 C ATOM 1292 NZ LYS A 76 -0.502 -12.293 -6.382 1.00 0.00 N ATOM 0 H LYS A 76 -2.629 -6.451 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.786 -8.034 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.663 -8.845 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.234 -8.275 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.217 -10.597 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.030 -9.812 -8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.530 -11.698 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.548 -10.248 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.249 -10.506 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.371 -11.851 -5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.087 -12.614 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.861 -13.113 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.226 -11.810 -6.946 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.210 -5.877 -8.123 1.00 0.00 N ATOM 1307 CA ASN A 77 -5.086 -5.237 -9.111 1.00 0.00 C ATOM 1308 C ASN A 77 -4.456 -3.990 -9.774 1.00 0.00 C ATOM 1309 O ASN A 77 -4.699 -3.742 -10.955 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.478 -4.943 -8.524 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.576 -4.052 -7.302 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -5.813 -3.129 -7.076 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -7.580 -4.298 -6.498 1.00 0.00 N ATOM 0 H ASN A 77 -4.163 -5.378 -7.234 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.215 -5.960 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.081 -4.492 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.941 -5.898 -8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.729 -3.715 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.213 -5.073 -6.695 1.00 0.00 H new ATOM 1597 N GLU A 95 15.488 21.122 -25.833 1.00 0.00 N ATOM 1598 CA GLU A 95 16.817 20.951 -25.228 1.00 0.00 C ATOM 1599 C GLU A 95 17.864 21.784 -25.993 1.00 0.00 C ATOM 1600 O GLU A 95 18.215 21.468 -27.132 1.00 0.00 O ATOM 1601 CB GLU A 95 17.163 19.450 -25.188 1.00 0.00 C ATOM 1602 CG GLU A 95 18.453 19.131 -24.418 1.00 0.00 C ATOM 1603 CD GLU A 95 18.294 19.377 -22.905 1.00 0.00 C ATOM 1604 OE1 GLU A 95 18.537 20.520 -22.447 1.00 0.00 O ATOM 1605 OE2 GLU A 95 17.925 18.432 -22.166 1.00 0.00 O ATOM 0 HA GLU A 95 16.817 21.320 -24.202 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.335 18.908 -24.731 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.260 19.082 -26.209 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.731 18.091 -24.590 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.267 19.746 -24.802 1.00 0.00 H new ATOM 1612 N GLU A 96 18.350 22.869 -25.381 1.00 0.00 N ATOM 1613 CA GLU A 96 19.257 23.855 -25.997 1.00 0.00 C ATOM 1614 C GLU A 96 20.430 24.195 -25.063 1.00 0.00 C ATOM 1615 O GLU A 96 20.567 25.318 -24.570 1.00 0.00 O ATOM 1616 CB GLU A 96 18.478 25.106 -26.453 1.00 0.00 C ATOM 1617 CG GLU A 96 17.455 24.817 -27.561 1.00 0.00 C ATOM 1618 CD GLU A 96 16.831 26.124 -28.087 1.00 0.00 C ATOM 1619 OE1 GLU A 96 17.335 26.682 -29.093 1.00 0.00 O ATOM 1620 OE2 GLU A 96 15.827 26.603 -27.504 1.00 0.00 O ATOM 0 H GLU A 96 18.119 23.096 -24.414 1.00 0.00 H new ATOM 0 HA GLU A 96 19.694 23.410 -26.891 1.00 0.00 H new ATOM 0 HB2 GLU A 96 17.961 25.536 -25.595 1.00 0.00 H new ATOM 0 HB3 GLU A 96 19.185 25.856 -26.808 1.00 0.00 H new ATOM 0 HG2 GLU A 96 17.940 24.285 -28.380 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.671 24.164 -27.177 1.00 0.00 H new ATOM 1627 N VAL A 97 21.274 23.190 -24.805 1.00 0.00 N ATOM 1628 CA VAL A 97 22.458 23.282 -23.934 1.00 0.00 C ATOM 1629 C VAL A 97 23.690 22.675 -24.608 1.00 0.00 C ATOM 1630 O VAL A 97 23.589 21.652 -25.292 1.00 0.00 O ATOM 1631 CB VAL A 97 22.198 22.600 -22.571 1.00 0.00 C ATOM 1632 CG1 VAL A 97 23.431 22.639 -21.654 1.00 0.00 C ATOM 1633 CG2 VAL A 97 21.038 23.272 -21.826 1.00 0.00 C ATOM 0 H VAL A 97 21.151 22.261 -25.207 1.00 0.00 H new ATOM 0 HA VAL A 97 22.654 24.340 -23.757 1.00 0.00 H new ATOM 0 HB VAL A 97 21.953 21.563 -22.801 1.00 0.00 H new ATOM 0 HG11 VAL A 97 23.198 22.148 -20.709 1.00 0.00 H new ATOM 0 HG12 VAL A 97 24.260 22.122 -22.137 1.00 0.00 H new ATOM 0 HG13 VAL A 97 23.711 23.675 -21.464 1.00 0.00 H new ATOM 0 HG21 VAL A 97 20.879 22.770 -20.871 1.00 0.00 H new ATOM 0 HG22 VAL A 97 21.278 24.321 -21.649 1.00 0.00 H new ATOM 0 HG23 VAL A 97 20.131 23.203 -22.427 1.00 0.00 H new ATOM 1643 N SER A 98 24.862 23.277 -24.380 1.00 0.00 N ATOM 1644 CA SER A 98 26.157 22.742 -24.829 1.00 0.00 C ATOM 1645 C SER A 98 27.330 23.060 -23.889 1.00 0.00 C ATOM 1646 O SER A 98 28.015 22.139 -23.439 1.00 0.00 O ATOM 1647 CB SER A 98 26.438 23.231 -26.251 1.00 0.00 C ATOM 1648 OG SER A 98 26.506 24.649 -26.315 1.00 0.00 O ATOM 0 H SER A 98 24.942 24.159 -23.873 1.00 0.00 H new ATOM 0 HA SER A 98 26.075 21.655 -24.814 1.00 0.00 H new ATOM 0 HB2 SER A 98 27.378 22.805 -26.603 1.00 0.00 H new ATOM 0 HB3 SER A 98 25.655 22.874 -26.920 1.00 0.00 H new ATOM 0 HG SER A 98 26.688 24.926 -27.237 1.00 0.00 H new ATOM 1654 N SER A 99 27.549 24.337 -23.551 1.00 0.00 N ATOM 1655 CA SER A 99 28.595 24.788 -22.619 1.00 0.00 C ATOM 1656 C SER A 99 28.173 26.064 -21.883 1.00 0.00 C ATOM 1657 O SER A 99 28.013 27.122 -22.496 1.00 0.00 O ATOM 1658 CB SER A 99 29.906 25.021 -23.383 1.00 0.00 C ATOM 1659 OG SER A 99 30.958 25.311 -22.476 1.00 0.00 O ATOM 0 H SER A 99 26.992 25.105 -23.926 1.00 0.00 H new ATOM 0 HA SER A 99 28.747 24.009 -21.872 1.00 0.00 H new ATOM 0 HB2 SER A 99 30.155 24.137 -23.970 1.00 0.00 H new ATOM 0 HB3 SER A 99 29.784 25.846 -24.085 1.00 0.00 H new ATOM 0 HG SER A 99 31.789 25.456 -22.975 1.00 0.00 H new ATOM 1665 N MET A 100 27.971 25.958 -20.561 1.00 0.00 N ATOM 1666 CA MET A 100 27.524 27.041 -19.660 1.00 0.00 C ATOM 1667 C MET A 100 26.203 27.738 -20.073 1.00 0.00 C ATOM 1668 O MET A 100 25.937 28.878 -19.685 1.00 0.00 O ATOM 1669 CB MET A 100 28.677 28.024 -19.369 1.00 0.00 C ATOM 1670 CG MET A 100 29.903 27.326 -18.765 1.00 0.00 C ATOM 1671 SD MET A 100 31.232 28.458 -18.271 1.00 0.00 S ATOM 1672 CE MET A 100 32.400 27.257 -17.572 1.00 0.00 C ATOM 0 H MET A 100 28.120 25.079 -20.065 1.00 0.00 H new ATOM 0 HA MET A 100 27.255 26.557 -18.721 1.00 0.00 H new ATOM 0 HB2 MET A 100 28.966 28.525 -20.293 1.00 0.00 H new ATOM 0 HB3 MET A 100 28.328 28.797 -18.684 1.00 0.00 H new ATOM 0 HG2 MET A 100 29.588 26.751 -17.894 1.00 0.00 H new ATOM 0 HG3 MET A 100 30.297 26.615 -19.491 1.00 0.00 H new ATOM 0 HE1 MET A 100 33.288 27.779 -17.214 1.00 0.00 H new ATOM 0 HE2 MET A 100 31.928 26.731 -16.742 1.00 0.00 H new ATOM 0 HE3 MET A 100 32.687 26.539 -18.340 1.00 0.00 H new ATOM 1682 N GLU A 101 25.346 27.051 -20.836 1.00 0.00 N ATOM 1683 CA GLU A 101 24.041 27.546 -21.310 1.00 0.00 C ATOM 1684 C GLU A 101 22.949 27.372 -20.232 1.00 0.00 C ATOM 1685 O GLU A 101 22.033 26.558 -20.366 1.00 0.00 O ATOM 1686 CB GLU A 101 23.675 26.867 -22.646 1.00 0.00 C ATOM 1687 CG GLU A 101 24.538 27.293 -23.842 1.00 0.00 C ATOM 1688 CD GLU A 101 24.269 28.752 -24.267 1.00 0.00 C ATOM 1689 OE1 GLU A 101 24.956 29.678 -23.772 1.00 0.00 O ATOM 1690 OE2 GLU A 101 23.364 28.987 -25.106 1.00 0.00 O ATOM 0 H GLU A 101 25.545 26.102 -21.153 1.00 0.00 H new ATOM 0 HA GLU A 101 24.112 28.618 -21.495 1.00 0.00 H new ATOM 0 HB2 GLU A 101 23.757 25.787 -22.523 1.00 0.00 H new ATOM 0 HB3 GLU A 101 22.631 27.084 -22.874 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.591 27.180 -23.586 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.341 26.629 -24.684 1.00 0.00 H new ATOM 1697 N ALA A 102 23.069 28.121 -19.132 1.00 0.00 N ATOM 1698 CA ALA A 102 22.166 28.084 -17.976 1.00 0.00 C ATOM 1699 C ALA A 102 21.881 29.489 -17.400 1.00 0.00 C ATOM 1700 O ALA A 102 22.652 30.432 -17.613 1.00 0.00 O ATOM 1701 CB ALA A 102 22.775 27.153 -16.918 1.00 0.00 C ATOM 0 H ALA A 102 23.826 28.795 -19.017 1.00 0.00 H new ATOM 0 HA ALA A 102 21.198 27.700 -18.297 1.00 0.00 H new ATOM 0 HB1 ALA A 102 22.118 27.111 -16.049 1.00 0.00 H new ATOM 0 HB2 ALA A 102 22.888 26.153 -17.336 1.00 0.00 H new ATOM 0 HB3 ALA A 102 23.751 27.533 -16.617 1.00 0.00 H new ATOM 1707 N LYS A 103 20.778 29.617 -16.647 1.00 0.00 N ATOM 1708 CA LYS A 103 20.334 30.849 -15.962 1.00 0.00 C ATOM 1709 C LYS A 103 19.924 30.582 -14.508 1.00 0.00 C ATOM 1710 O LYS A 103 19.426 29.502 -14.181 1.00 0.00 O ATOM 1711 CB LYS A 103 19.161 31.498 -16.723 1.00 0.00 C ATOM 1712 CG LYS A 103 19.566 32.088 -18.082 1.00 0.00 C ATOM 1713 CD LYS A 103 18.379 32.820 -18.724 1.00 0.00 C ATOM 1714 CE LYS A 103 18.797 33.459 -20.052 1.00 0.00 C ATOM 1715 NZ LYS A 103 17.672 34.201 -20.678 1.00 0.00 N ATOM 0 H LYS A 103 20.142 28.835 -16.490 1.00 0.00 H new ATOM 0 HA LYS A 103 21.183 31.533 -15.951 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.381 30.752 -16.877 1.00 0.00 H new ATOM 0 HB3 LYS A 103 18.730 32.287 -16.107 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.400 32.778 -17.952 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.911 31.293 -18.743 1.00 0.00 H new ATOM 0 HD2 LYS A 103 17.561 32.120 -18.892 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.007 33.588 -18.045 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.633 34.138 -19.883 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.148 32.685 -20.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 17.989 34.621 -21.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 16.884 33.547 -20.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 17.354 34.955 -20.036 1.00 0.00 H new