USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 72 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0) USER MOD Set 1.2: B 11 GLN : amide:sc= 1.07 K(o=2.3,f=-4.6) USER MOD Set 2.1: A 71 HIS : no HE2:sc= 0.361 K(o=0.68,f=-1) USER MOD Set 2.2: B 13 SER OG : rot 78:sc= 0.317 USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.285) USER MOD Single : A 14 ASN : amide:sc= 0.422 K(o=0.42,f=-5.4!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 17 SER OG : rot 180:sc= 0.127 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 120:sc= 0.183 USER MOD Single : A 32 HIS : no HD1:sc= 0.0374 K(o=0.037,f=-1.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0196) USER MOD Single : A 43 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.024) USER MOD Single : A 48 SER OG : rot 74:sc= 0.00159 USER MOD Single : A 53 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.016) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.2!) USER MOD Single : A 65 SER OG : rot -167:sc= 1.09 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.239 X(o=0.24,f=-0.00054) USER MOD Single : A 77 THR OG1 : rot 75:sc= 0.0626 USER MOD Single : A 80 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.497 7.256 -10.129 1.00 0.00 N ATOM 54 CA GLY A 4 -11.205 7.071 -9.545 1.00 0.00 C ATOM 55 C GLY A 4 -10.402 6.132 -10.378 1.00 0.00 C ATOM 56 O GLY A 4 -10.469 4.916 -10.200 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.692 8.029 -9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.306 6.678 -8.533 1.00 0.00 H new ATOM 60 N ASP A 5 -9.641 6.663 -11.351 1.00 0.00 N ATOM 61 CA ASP A 5 -8.853 5.889 -12.259 1.00 0.00 C ATOM 62 C ASP A 5 -7.528 5.479 -11.714 1.00 0.00 C ATOM 63 O ASP A 5 -7.144 5.815 -10.594 1.00 0.00 O ATOM 64 CB ASP A 5 -8.718 6.669 -13.578 1.00 0.00 C ATOM 65 CG ASP A 5 -9.025 5.787 -14.780 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.380 4.712 -14.913 1.00 0.00 O ATOM 67 OD2 ASP A 5 -9.918 6.163 -15.586 1.00 0.00 O ATOM 0 H ASP A 5 -9.572 7.668 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.372 4.947 -12.434 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.396 7.522 -13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.707 7.066 -13.665 1.00 0.00 H new ATOM 72 N ILE A 6 -6.738 4.734 -12.507 1.00 0.00 N ATOM 73 CA ILE A 6 -5.435 4.254 -12.167 1.00 0.00 C ATOM 74 C ILE A 6 -4.394 5.298 -12.376 1.00 0.00 C ATOM 75 O ILE A 6 -4.554 6.193 -13.205 1.00 0.00 O ATOM 76 CB ILE A 6 -5.188 2.939 -12.846 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.780 1.836 -11.954 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.712 2.636 -13.159 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.032 0.506 -12.664 1.00 0.00 C ATOM 0 H ILE A 6 -7.027 4.450 -13.443 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.374 4.048 -11.098 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.670 2.984 -13.823 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.104 1.663 -11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.721 2.193 -11.535 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.636 1.665 -13.649 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.314 3.407 -13.819 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.139 2.621 -12.232 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.450 -0.211 -11.957 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.734 0.658 -13.484 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.092 0.120 -13.059 1.00 0.00 H new ATOM 91 N PHE A 7 -3.302 5.282 -11.592 1.00 0.00 N ATOM 92 CA PHE A 7 -2.220 6.208 -11.719 1.00 0.00 C ATOM 93 C PHE A 7 -0.918 5.615 -11.302 1.00 0.00 C ATOM 94 O PHE A 7 -0.827 4.849 -10.345 1.00 0.00 O ATOM 95 CB PHE A 7 -2.477 7.585 -11.083 1.00 0.00 C ATOM 96 CG PHE A 7 -2.768 7.637 -9.623 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.826 6.979 -9.039 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.018 8.480 -8.839 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.096 7.117 -7.698 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.273 8.627 -7.497 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.313 7.936 -6.919 1.00 0.00 C ATOM 0 H PHE A 7 -3.167 4.601 -10.844 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.152 6.414 -12.787 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.603 8.208 -11.272 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.315 8.044 -11.607 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.455 6.343 -9.644 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.210 9.039 -9.288 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.924 6.582 -7.256 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.659 9.283 -6.898 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.513 8.036 -5.862 1.00 0.00 H new ATOM 111 N GLU A 8 0.154 5.926 -12.053 1.00 0.00 N ATOM 112 CA GLU A 8 1.491 5.477 -11.823 1.00 0.00 C ATOM 113 C GLU A 8 2.339 6.572 -11.276 1.00 0.00 C ATOM 114 O GLU A 8 2.694 7.528 -11.964 1.00 0.00 O ATOM 115 CB GLU A 8 2.088 4.860 -13.099 1.00 0.00 C ATOM 116 CG GLU A 8 2.052 5.736 -14.353 1.00 0.00 C ATOM 117 CD GLU A 8 2.540 5.010 -15.599 1.00 0.00 C ATOM 118 OE1 GLU A 8 1.727 4.295 -16.243 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.724 5.193 -15.994 1.00 0.00 O ATOM 0 H GLU A 8 0.081 6.529 -12.872 1.00 0.00 H new ATOM 0 HA GLU A 8 1.464 4.691 -11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.125 4.593 -12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.556 3.933 -13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.032 6.084 -14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.668 6.620 -14.190 1.00 0.00 H new ATOM 126 N VAL A 9 2.661 6.517 -9.971 1.00 0.00 N ATOM 127 CA VAL A 9 3.362 7.549 -9.273 1.00 0.00 C ATOM 128 C VAL A 9 4.794 7.204 -9.049 1.00 0.00 C ATOM 129 O VAL A 9 5.125 6.115 -8.583 1.00 0.00 O ATOM 130 CB VAL A 9 2.714 7.875 -7.960 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.454 8.986 -7.196 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.273 8.340 -8.232 1.00 0.00 C ATOM 0 H VAL A 9 2.423 5.721 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 9 3.316 8.429 -9.915 1.00 0.00 H new ATOM 0 HB VAL A 9 2.740 6.977 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.943 9.182 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.477 8.670 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.467 9.895 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.784 8.582 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.290 9.224 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.722 7.543 -8.732 1.00 0.00 H new ATOM 142 N GLU A 10 5.694 8.165 -9.320 1.00 0.00 N ATOM 143 CA GLU A 10 7.073 8.106 -8.942 1.00 0.00 C ATOM 144 C GLU A 10 7.308 9.147 -7.902 1.00 0.00 C ATOM 145 O GLU A 10 6.970 10.313 -8.101 1.00 0.00 O ATOM 146 CB GLU A 10 7.990 8.442 -10.130 1.00 0.00 C ATOM 147 CG GLU A 10 9.481 8.346 -9.804 1.00 0.00 C ATOM 148 CD GLU A 10 10.320 9.168 -10.771 1.00 0.00 C ATOM 149 OE1 GLU A 10 10.130 10.413 -10.819 1.00 0.00 O ATOM 150 OE2 GLU A 10 11.188 8.578 -11.468 1.00 0.00 O ATOM 0 H GLU A 10 5.452 9.019 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 10 7.293 7.099 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.763 7.766 -10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.767 9.452 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.654 8.693 -8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.796 7.303 -9.844 1.00 0.00 H new ATOM 157 N LEU A 11 7.889 8.783 -6.744 1.00 0.00 N ATOM 158 CA LEU A 11 8.288 9.731 -5.751 1.00 0.00 C ATOM 159 C LEU A 11 9.646 9.383 -5.244 1.00 0.00 C ATOM 160 O LEU A 11 10.397 8.646 -5.882 1.00 0.00 O ATOM 161 CB LEU A 11 7.214 9.852 -4.656 1.00 0.00 C ATOM 162 CG LEU A 11 7.047 11.240 -4.016 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.594 12.309 -5.026 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.036 11.181 -2.859 1.00 0.00 C ATOM 0 H LEU A 11 8.085 7.814 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 11 8.369 10.727 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.256 9.554 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.448 9.137 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 11 8.030 11.527 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.492 13.269 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.334 12.395 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.634 12.021 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.930 12.172 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.070 10.847 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.391 10.482 -2.101 1.00 0.00 H new ATOM 176 N ALA A 12 10.026 9.869 -4.049 1.00 0.00 N ATOM 177 CA ALA A 12 11.232 9.486 -3.382 1.00 0.00 C ATOM 178 C ALA A 12 11.045 9.675 -1.916 1.00 0.00 C ATOM 179 O ALA A 12 10.087 10.302 -1.464 1.00 0.00 O ATOM 180 CB ALA A 12 12.421 10.336 -3.862 1.00 0.00 C ATOM 0 H ALA A 12 9.475 10.552 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 12 11.448 8.442 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.325 10.025 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.557 10.199 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.225 11.387 -3.652 1.00 0.00 H new ATOM 186 N LYS A 13 11.968 9.146 -1.092 1.00 0.00 N ATOM 187 CA LYS A 13 12.104 9.519 0.282 1.00 0.00 C ATOM 188 C LYS A 13 12.690 10.884 0.391 1.00 0.00 C ATOM 189 O LYS A 13 13.847 11.112 0.040 1.00 0.00 O ATOM 190 CB LYS A 13 12.951 8.528 1.097 1.00 0.00 C ATOM 191 CG LYS A 13 13.019 8.847 2.592 1.00 0.00 C ATOM 192 CD LYS A 13 13.877 7.860 3.386 1.00 0.00 C ATOM 193 CE LYS A 13 13.829 8.031 4.906 1.00 0.00 C ATOM 194 NZ LYS A 13 14.361 9.346 5.323 1.00 0.00 N ATOM 0 H LYS A 13 12.639 8.438 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 13 11.099 9.506 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.542 7.526 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.963 8.514 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.419 9.852 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.009 8.850 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.559 6.847 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.912 7.957 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.801 7.928 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.406 7.237 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.801 9.261 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.072 9.667 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.585 10.037 5.366 1.00 0.00 H new ATOM 208 N ASN A 14 11.904 11.862 0.877 1.00 0.00 N ATOM 209 CA ASN A 14 12.360 13.193 1.132 1.00 0.00 C ATOM 210 C ASN A 14 12.786 13.277 2.557 1.00 0.00 C ATOM 211 O ASN A 14 13.935 12.995 2.897 1.00 0.00 O ATOM 212 CB ASN A 14 11.324 14.241 0.694 1.00 0.00 C ATOM 213 CG ASN A 14 9.888 13.837 0.994 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.430 13.950 2.130 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.163 13.311 -0.030 1.00 0.00 N ATOM 0 H ASN A 14 10.919 11.721 1.100 1.00 0.00 H new ATOM 0 HA ASN A 14 13.232 13.431 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.540 15.185 1.195 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.427 14.417 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.207 12.995 0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.576 13.233 -0.960 1.00 0.00 H new ATOM 222 N ASP A 15 11.850 13.602 3.464 1.00 0.00 N ATOM 223 CA ASP A 15 11.990 13.449 4.879 1.00 0.00 C ATOM 224 C ASP A 15 11.737 12.026 5.245 1.00 0.00 C ATOM 225 O ASP A 15 12.566 11.350 5.852 1.00 0.00 O ATOM 226 CB ASP A 15 10.960 14.349 5.583 1.00 0.00 C ATOM 227 CG ASP A 15 11.488 15.776 5.566 1.00 0.00 C ATOM 228 OD1 ASP A 15 12.523 16.047 6.232 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.881 16.628 4.863 1.00 0.00 O ATOM 0 H ASP A 15 10.947 13.993 3.196 1.00 0.00 H new ATOM 0 HA ASP A 15 12.997 13.731 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.997 14.294 5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.800 14.015 6.608 1.00 0.00 H new ATOM 234 N ASN A 16 10.577 11.486 4.830 1.00 0.00 N ATOM 235 CA ASN A 16 10.128 10.187 5.225 1.00 0.00 C ATOM 236 C ASN A 16 9.603 9.487 4.019 1.00 0.00 C ATOM 237 O ASN A 16 9.524 10.045 2.927 1.00 0.00 O ATOM 238 CB ASN A 16 9.025 10.298 6.291 1.00 0.00 C ATOM 239 CG ASN A 16 9.675 10.641 7.623 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.383 9.815 8.197 1.00 0.00 O ATOM 241 ND2 ASN A 16 9.449 11.880 8.134 1.00 0.00 N ATOM 0 H ASN A 16 9.933 11.967 4.202 1.00 0.00 H new ATOM 0 HA ASN A 16 10.957 9.626 5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.304 11.067 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.476 9.359 6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.872 12.151 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.856 12.539 7.630 1.00 0.00 H new ATOM 248 N SER A 17 9.275 8.192 4.179 1.00 0.00 N ATOM 249 CA SER A 17 8.767 7.359 3.133 1.00 0.00 C ATOM 250 C SER A 17 7.303 7.586 2.972 1.00 0.00 C ATOM 251 O SER A 17 6.894 8.436 2.183 1.00 0.00 O ATOM 252 CB SER A 17 9.088 5.874 3.371 1.00 0.00 C ATOM 253 OG SER A 17 8.791 5.459 4.697 1.00 0.00 O ATOM 0 H SER A 17 9.367 7.707 5.071 1.00 0.00 H new ATOM 0 HA SER A 17 9.267 7.635 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.520 5.265 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.144 5.696 3.166 1.00 0.00 H new ATOM 0 HG SER A 17 9.010 4.509 4.799 1.00 0.00 H new ATOM 259 N LEU A 18 6.434 6.862 3.701 1.00 0.00 N ATOM 260 CA LEU A 18 5.018 7.040 3.622 1.00 0.00 C ATOM 261 C LEU A 18 4.475 7.808 4.778 1.00 0.00 C ATOM 262 O LEU A 18 4.344 9.030 4.724 1.00 0.00 O ATOM 263 CB LEU A 18 4.342 5.670 3.445 1.00 0.00 C ATOM 264 CG LEU A 18 4.505 5.141 2.010 1.00 0.00 C ATOM 265 CD1 LEU A 18 4.496 3.603 1.977 1.00 0.00 C ATOM 266 CD2 LEU A 18 3.418 5.715 1.086 1.00 0.00 C ATOM 0 H LEU A 18 6.722 6.138 4.359 1.00 0.00 H new ATOM 0 HA LEU A 18 4.790 7.650 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.773 4.957 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.282 5.753 3.685 1.00 0.00 H new ATOM 0 HG LEU A 18 5.475 5.476 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.613 3.260 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.318 3.221 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.550 3.236 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.555 5.326 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.435 5.424 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.492 6.802 1.069 1.00 0.00 H new ATOM 278 N GLY A 19 4.099 7.110 5.865 1.00 0.00 N ATOM 279 CA GLY A 19 3.290 7.654 6.912 1.00 0.00 C ATOM 280 C GLY A 19 1.845 7.419 6.635 1.00 0.00 C ATOM 281 O GLY A 19 1.015 8.322 6.728 1.00 0.00 O ATOM 0 H GLY A 19 4.366 6.138 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.562 7.197 7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.478 8.723 7.006 1.00 0.00 H new ATOM 285 N ILE A 20 1.485 6.174 6.279 1.00 0.00 N ATOM 286 CA ILE A 20 0.134 5.830 5.959 1.00 0.00 C ATOM 287 C ILE A 20 -0.204 4.557 6.656 1.00 0.00 C ATOM 288 O ILE A 20 0.672 3.815 7.097 1.00 0.00 O ATOM 289 CB ILE A 20 -0.073 5.814 4.474 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.537 6.049 4.067 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.511 4.553 3.813 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.674 6.501 2.614 1.00 0.00 C ATOM 0 H ILE A 20 2.140 5.395 6.212 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.566 6.584 6.320 1.00 0.00 H new ATOM 0 HB ILE A 20 0.490 6.664 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.104 5.129 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.977 6.802 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.335 4.591 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.583 4.506 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.029 3.668 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.727 6.653 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.132 7.436 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.261 5.737 1.955 1.00 0.00 H new ATOM 304 N SER A 21 -1.503 4.248 6.820 1.00 0.00 N ATOM 305 CA SER A 21 -1.962 3.085 7.515 1.00 0.00 C ATOM 306 C SER A 21 -2.785 2.294 6.557 1.00 0.00 C ATOM 307 O SER A 21 -3.491 2.834 5.707 1.00 0.00 O ATOM 308 CB SER A 21 -2.786 3.434 8.766 1.00 0.00 C ATOM 309 OG SER A 21 -3.163 2.269 9.486 1.00 0.00 O ATOM 0 H SER A 21 -2.260 4.827 6.456 1.00 0.00 H new ATOM 0 HA SER A 21 -1.103 2.515 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.205 4.090 9.414 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.679 3.986 8.472 1.00 0.00 H new ATOM 0 HG SER A 21 -3.684 2.526 10.275 1.00 0.00 H new ATOM 315 N VAL A 22 -2.674 0.956 6.636 1.00 0.00 N ATOM 316 CA VAL A 22 -3.047 0.048 5.596 1.00 0.00 C ATOM 317 C VAL A 22 -4.054 -0.898 6.156 1.00 0.00 C ATOM 318 O VAL A 22 -4.077 -1.149 7.360 1.00 0.00 O ATOM 319 CB VAL A 22 -1.815 -0.650 5.102 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.136 -1.728 4.054 1.00 0.00 C ATOM 321 CG2 VAL A 22 -0.870 0.393 4.481 1.00 0.00 C ATOM 0 H VAL A 22 -2.307 0.486 7.463 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.495 0.560 4.744 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.347 -1.147 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.212 -2.205 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.795 -2.477 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.629 -1.268 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.030 -0.102 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.371 0.889 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.598 1.132 5.235 1.00 0.00 H new ATOM 331 N THR A 23 -4.958 -1.467 5.340 1.00 0.00 N ATOM 332 CA THR A 23 -5.875 -2.451 5.827 1.00 0.00 C ATOM 333 C THR A 23 -6.188 -3.499 4.817 1.00 0.00 C ATOM 334 O THR A 23 -6.434 -3.239 3.639 1.00 0.00 O ATOM 335 CB THR A 23 -7.107 -1.832 6.417 1.00 0.00 C ATOM 336 OG1 THR A 23 -7.926 -2.767 7.103 1.00 0.00 O ATOM 337 CG2 THR A 23 -7.956 -1.102 5.362 1.00 0.00 C ATOM 0 H THR A 23 -5.055 -1.248 4.348 1.00 0.00 H new ATOM 0 HA THR A 23 -5.366 -2.967 6.641 1.00 0.00 H new ATOM 0 HB THR A 23 -6.734 -1.107 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.712 -2.308 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.837 -0.671 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.365 -0.308 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.269 -1.809 4.594 1.00 0.00 H new ATOM 345 N GLY A 24 -6.161 -4.768 5.263 1.00 0.00 N ATOM 346 CA GLY A 24 -6.524 -5.944 4.534 1.00 0.00 C ATOM 347 C GLY A 24 -5.443 -6.479 3.661 1.00 0.00 C ATOM 348 O GLY A 24 -4.274 -6.510 4.046 1.00 0.00 O ATOM 0 H GLY A 24 -5.860 -4.988 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.822 -6.719 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.396 -5.722 3.919 1.00 0.00 H new ATOM 352 N GLY A 25 -5.815 -6.968 2.464 1.00 0.00 N ATOM 353 CA GLY A 25 -4.920 -7.532 1.502 1.00 0.00 C ATOM 354 C GLY A 25 -4.338 -8.855 1.862 1.00 0.00 C ATOM 355 O GLY A 25 -3.188 -9.160 1.549 1.00 0.00 O ATOM 0 H GLY A 25 -6.786 -6.970 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.450 -7.634 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.104 -6.829 1.336 1.00 0.00 H new ATOM 359 N VAL A 26 -5.110 -9.697 2.573 1.00 0.00 N ATOM 360 CA VAL A 26 -4.640 -10.913 3.161 1.00 0.00 C ATOM 361 C VAL A 26 -4.833 -12.108 2.292 1.00 0.00 C ATOM 362 O VAL A 26 -4.362 -12.164 1.158 1.00 0.00 O ATOM 363 CB VAL A 26 -5.168 -11.057 4.557 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.504 -9.977 5.429 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.695 -10.905 4.668 1.00 0.00 C ATOM 0 H VAL A 26 -6.100 -9.524 2.745 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.555 -10.849 3.246 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.932 -12.069 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.871 -10.059 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.423 -10.115 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.747 -8.990 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.998 -11.022 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.989 -9.917 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.182 -11.668 4.060 1.00 0.00 H new ATOM 375 N ASN A 27 -5.523 -13.155 2.781 1.00 0.00 N ATOM 376 CA ASN A 27 -5.747 -14.392 2.100 1.00 0.00 C ATOM 377 C ASN A 27 -6.713 -14.224 0.977 1.00 0.00 C ATOM 378 O ASN A 27 -6.385 -14.451 -0.186 1.00 0.00 O ATOM 379 CB ASN A 27 -6.145 -15.507 3.082 1.00 0.00 C ATOM 380 CG ASN A 27 -7.201 -15.077 4.091 1.00 0.00 C ATOM 381 OD1 ASN A 27 -8.401 -15.208 3.858 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.767 -14.523 5.256 1.00 0.00 N ATOM 0 H ASN A 27 -5.949 -13.135 3.707 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.807 -14.709 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.519 -16.361 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.257 -15.843 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.441 -14.208 5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.767 -14.423 5.432 1.00 0.00 H new ATOM 389 N THR A 28 -7.936 -13.742 1.258 1.00 0.00 N ATOM 390 CA THR A 28 -8.652 -12.942 0.313 1.00 0.00 C ATOM 391 C THR A 28 -9.317 -11.876 1.114 1.00 0.00 C ATOM 392 O THR A 28 -9.505 -11.994 2.323 1.00 0.00 O ATOM 393 CB THR A 28 -9.577 -13.665 -0.619 1.00 0.00 C ATOM 394 OG1 THR A 28 -10.020 -12.804 -1.659 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.815 -14.235 0.094 1.00 0.00 C ATOM 0 H THR A 28 -8.428 -13.905 2.136 1.00 0.00 H new ATOM 0 HA THR A 28 -7.946 -12.533 -0.410 1.00 0.00 H new ATOM 0 HB THR A 28 -9.000 -14.494 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.621 -13.296 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.448 -14.747 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.500 -14.940 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.376 -13.422 0.555 1.00 0.00 H new ATOM 403 N SER A 29 -9.595 -10.724 0.477 1.00 0.00 N ATOM 404 CA SER A 29 -9.929 -9.519 1.170 1.00 0.00 C ATOM 405 C SER A 29 -10.720 -8.674 0.231 1.00 0.00 C ATOM 406 O SER A 29 -11.880 -8.956 -0.065 1.00 0.00 O ATOM 407 CB SER A 29 -8.625 -8.850 1.637 1.00 0.00 C ATOM 408 OG SER A 29 -8.825 -7.651 2.371 1.00 0.00 O ATOM 0 H SER A 29 -9.588 -10.628 -0.538 1.00 0.00 H new ATOM 0 HA SER A 29 -10.533 -9.693 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.068 -9.554 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.007 -8.632 0.766 1.00 0.00 H new ATOM 0 HG SER A 29 -8.443 -7.749 3.268 1.00 0.00 H new ATOM 414 N VAL A 30 -10.082 -7.634 -0.337 1.00 0.00 N ATOM 415 CA VAL A 30 -10.493 -6.936 -1.516 1.00 0.00 C ATOM 416 C VAL A 30 -10.502 -7.863 -2.682 1.00 0.00 C ATOM 417 O VAL A 30 -11.555 -8.120 -3.263 1.00 0.00 O ATOM 418 CB VAL A 30 -9.685 -5.682 -1.675 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.162 -5.881 -1.589 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.045 -4.910 -2.956 1.00 0.00 C ATOM 0 H VAL A 30 -9.220 -7.256 0.056 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.524 -6.591 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.966 -5.083 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.662 -4.921 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.904 -6.299 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.839 -6.564 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.432 -4.011 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.860 -5.541 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.098 -4.630 -2.928 1.00 0.00 H new ATOM 430 N ARG A 31 -9.358 -8.488 -3.012 1.00 0.00 N ATOM 431 CA ARG A 31 -9.249 -9.654 -3.833 1.00 0.00 C ATOM 432 C ARG A 31 -8.145 -10.455 -3.234 1.00 0.00 C ATOM 433 O ARG A 31 -7.733 -10.199 -2.104 1.00 0.00 O ATOM 434 CB ARG A 31 -8.976 -9.328 -5.311 1.00 0.00 C ATOM 435 CG ARG A 31 -10.147 -8.587 -5.957 1.00 0.00 C ATOM 436 CD ARG A 31 -10.083 -8.400 -7.474 1.00 0.00 C ATOM 437 NE ARG A 31 -11.298 -7.610 -7.821 1.00 0.00 N ATOM 438 CZ ARG A 31 -11.841 -7.484 -9.068 1.00 0.00 C ATOM 439 NH1 ARG A 31 -11.213 -7.940 -10.191 1.00 0.00 N ATOM 440 NH2 ARG A 31 -13.057 -6.872 -9.166 1.00 0.00 N ATOM 0 H ARG A 31 -8.451 -8.157 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.191 -10.202 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.075 -8.720 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.785 -10.252 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.065 -9.125 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.225 -7.603 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.174 -7.875 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.077 -9.360 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.766 -7.119 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.303 -8.395 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.654 -7.826 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.525 -6.529 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.498 -6.757 -10.078 1.00 0.00 H new ATOM 454 N HIS A 32 -7.578 -11.432 -3.964 1.00 0.00 N ATOM 455 CA HIS A 32 -6.432 -12.206 -3.597 1.00 0.00 C ATOM 456 C HIS A 32 -5.150 -11.478 -3.812 1.00 0.00 C ATOM 457 O HIS A 32 -4.170 -11.994 -4.348 1.00 0.00 O ATOM 458 CB HIS A 32 -6.419 -13.497 -4.432 1.00 0.00 C ATOM 459 CG HIS A 32 -6.501 -13.238 -5.907 1.00 0.00 C ATOM 460 ND1 HIS A 32 -7.737 -13.145 -6.514 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.516 -12.978 -6.808 1.00 0.00 C ATOM 462 CE1 HIS A 32 -7.485 -12.830 -7.772 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.151 -12.720 -8.007 1.00 0.00 N ATOM 0 H HIS A 32 -7.948 -11.700 -4.876 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.509 -12.421 -2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.508 -14.054 -4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.256 -14.127 -4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.452 -12.974 -6.623 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.247 -12.678 -8.523 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.706 -12.491 -8.896 1.00 0.00 H new ATOM 471 N GLY A 33 -5.106 -10.193 -3.415 1.00 0.00 N ATOM 472 CA GLY A 33 -4.040 -9.299 -3.745 1.00 0.00 C ATOM 473 C GLY A 33 -4.565 -7.930 -4.010 1.00 0.00 C ATOM 474 O GLY A 33 -5.703 -7.733 -4.433 1.00 0.00 O ATOM 0 H GLY A 33 -5.836 -9.763 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.320 -9.266 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.509 -9.667 -4.623 1.00 0.00 H new ATOM 478 N GLY A 34 -3.717 -6.921 -3.747 1.00 0.00 N ATOM 479 CA GLY A 34 -4.120 -5.549 -3.704 1.00 0.00 C ATOM 480 C GLY A 34 -4.494 -5.192 -2.306 1.00 0.00 C ATOM 481 O GLY A 34 -5.029 -6.015 -1.565 1.00 0.00 O ATOM 0 H GLY A 34 -2.724 -7.062 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.309 -4.908 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.965 -5.385 -4.373 1.00 0.00 H new ATOM 485 N ILE A 35 -4.177 -3.956 -1.881 1.00 0.00 N ATOM 486 CA ILE A 35 -4.341 -3.547 -0.521 1.00 0.00 C ATOM 487 C ILE A 35 -5.096 -2.263 -0.554 1.00 0.00 C ATOM 488 O ILE A 35 -5.160 -1.597 -1.586 1.00 0.00 O ATOM 489 CB ILE A 35 -3.048 -3.422 0.229 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.863 -4.244 -0.306 1.00 0.00 C ATOM 491 CG2 ILE A 35 -3.286 -3.779 1.707 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.880 -5.748 -0.038 1.00 0.00 C ATOM 0 H ILE A 35 -3.801 -3.230 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.887 -4.313 0.029 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.747 -2.383 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.807 -4.093 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.948 -3.835 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.350 -3.690 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.023 -3.098 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.654 -4.802 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.989 -6.204 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.896 -5.926 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.768 -6.188 -0.492 1.00 0.00 H new ATOM 504 N TYR A 36 -5.696 -1.832 0.570 1.00 0.00 N ATOM 505 CA TYR A 36 -6.471 -0.634 0.654 1.00 0.00 C ATOM 506 C TYR A 36 -5.886 0.212 1.732 1.00 0.00 C ATOM 507 O TYR A 36 -5.279 -0.265 2.690 1.00 0.00 O ATOM 508 CB TYR A 36 -7.940 -0.922 1.008 1.00 0.00 C ATOM 509 CG TYR A 36 -8.880 -0.804 -0.142 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.147 0.428 -0.694 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.595 -1.893 -0.580 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.093 0.571 -1.682 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.557 -1.755 -1.553 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.798 -0.525 -2.118 1.00 0.00 C ATOM 515 OH TYR A 36 -11.762 -0.414 -3.143 1.00 0.00 O ATOM 0 H TYR A 36 -5.639 -2.338 1.454 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.449 -0.138 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.012 -1.929 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.255 -0.233 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.606 1.295 -0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.399 -2.867 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.281 1.543 -2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.125 -2.616 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.157 -1.294 -3.318 1.00 0.00 H new ATOM 525 N VAL A 37 -6.034 1.543 1.606 1.00 0.00 N ATOM 526 CA VAL A 37 -5.615 2.488 2.595 1.00 0.00 C ATOM 527 C VAL A 37 -6.641 2.629 3.666 1.00 0.00 C ATOM 528 O VAL A 37 -7.836 2.753 3.406 1.00 0.00 O ATOM 529 CB VAL A 37 -5.309 3.821 1.979 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.953 4.876 3.041 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.134 3.665 1.000 1.00 0.00 C ATOM 0 H VAL A 37 -6.460 1.977 0.787 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.699 2.108 3.046 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.202 4.164 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.738 5.826 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.792 5.001 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.076 4.549 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.906 4.630 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.259 3.300 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.403 2.954 0.219 1.00 0.00 H new ATOM 541 N LYS A 38 -6.202 2.629 4.937 1.00 0.00 N ATOM 542 CA LYS A 38 -7.027 2.863 6.082 1.00 0.00 C ATOM 543 C LYS A 38 -7.160 4.324 6.342 1.00 0.00 C ATOM 544 O LYS A 38 -8.267 4.859 6.311 1.00 0.00 O ATOM 545 CB LYS A 38 -6.463 2.112 7.299 1.00 0.00 C ATOM 546 CG LYS A 38 -7.273 2.256 8.589 1.00 0.00 C ATOM 547 CD LYS A 38 -6.791 1.323 9.702 1.00 0.00 C ATOM 548 CE LYS A 38 -7.478 1.517 11.054 1.00 0.00 C ATOM 549 NZ LYS A 38 -7.104 2.814 11.660 1.00 0.00 N ATOM 0 H LYS A 38 -5.226 2.458 5.178 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.028 2.478 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.391 1.053 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.449 2.465 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.214 3.288 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.322 2.050 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.940 0.292 9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.718 1.464 9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.559 1.470 10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.201 0.705 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.515 2.884 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.068 2.881 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.465 3.590 11.069 1.00 0.00 H new ATOM 563 N ALA A 39 -6.040 5.027 6.587 1.00 0.00 N ATOM 564 CA ALA A 39 -6.009 6.445 6.773 1.00 0.00 C ATOM 565 C ALA A 39 -4.591 6.897 6.723 1.00 0.00 C ATOM 566 O ALA A 39 -3.672 6.080 6.736 1.00 0.00 O ATOM 567 CB ALA A 39 -6.647 6.874 8.106 1.00 0.00 C ATOM 0 H ALA A 39 -5.121 4.591 6.658 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.593 6.908 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.599 7.959 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.689 6.554 8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.106 6.414 8.933 1.00 0.00 H new ATOM 573 N VAL A 40 -4.353 8.219 6.647 1.00 0.00 N ATOM 574 CA VAL A 40 -3.046 8.801 6.654 1.00 0.00 C ATOM 575 C VAL A 40 -2.638 9.228 8.022 1.00 0.00 C ATOM 576 O VAL A 40 -3.403 9.805 8.794 1.00 0.00 O ATOM 577 CB VAL A 40 -2.901 9.887 5.629 1.00 0.00 C ATOM 578 CG1 VAL A 40 -3.506 11.228 6.076 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.425 10.072 5.237 1.00 0.00 C ATOM 0 H VAL A 40 -5.100 8.910 6.578 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.345 8.021 6.357 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.470 9.562 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.367 11.970 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.571 11.100 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.009 11.566 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.343 10.864 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.845 10.342 6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.040 9.141 4.820 1.00 0.00 H new ATOM 589 N ILE A 41 -1.381 8.935 8.402 1.00 0.00 N ATOM 590 CA ILE A 41 -0.823 9.263 9.676 1.00 0.00 C ATOM 591 C ILE A 41 -0.363 10.679 9.604 1.00 0.00 C ATOM 592 O ILE A 41 0.307 11.009 8.627 1.00 0.00 O ATOM 593 CB ILE A 41 0.300 8.332 10.024 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.159 6.864 10.033 1.00 0.00 C ATOM 595 CG2 ILE A 41 0.976 8.686 11.360 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.288 6.538 11.010 1.00 0.00 C ATOM 0 H ILE A 41 -0.725 8.447 7.792 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.567 9.152 10.465 1.00 0.00 H new ATOM 0 HB ILE A 41 1.044 8.459 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.482 6.596 9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.698 6.234 10.271 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.781 7.978 11.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.385 9.695 11.305 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.242 8.636 12.164 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.537 5.479 10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.967 6.767 12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.166 7.135 10.763 1.00 0.00 H new ATOM 608 N PRO A 42 -0.628 11.578 10.506 1.00 0.00 N ATOM 609 CA PRO A 42 -0.315 12.968 10.346 1.00 0.00 C ATOM 610 C PRO A 42 1.111 13.282 10.640 1.00 0.00 C ATOM 611 O PRO A 42 1.408 14.355 11.163 1.00 0.00 O ATOM 612 CB PRO A 42 -1.249 13.645 11.347 1.00 0.00 C ATOM 613 CG PRO A 42 -1.312 12.643 12.511 1.00 0.00 C ATOM 614 CD PRO A 42 -1.362 11.318 11.734 1.00 0.00 C ATOM 0 HA PRO A 42 -0.451 13.304 9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.860 14.611 11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.235 13.825 10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.441 12.709 13.163 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.191 12.790 13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.906 10.508 12.303 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.390 11.021 11.525 1.00 0.00 H new ATOM 622 N GLN A 43 2.042 12.372 10.301 1.00 0.00 N ATOM 623 CA GLN A 43 3.432 12.440 10.630 1.00 0.00 C ATOM 624 C GLN A 43 4.180 11.723 9.559 1.00 0.00 C ATOM 625 O GLN A 43 4.818 10.691 9.765 1.00 0.00 O ATOM 626 CB GLN A 43 3.671 11.841 12.027 1.00 0.00 C ATOM 627 CG GLN A 43 4.799 12.494 12.828 1.00 0.00 C ATOM 628 CD GLN A 43 6.169 12.293 12.196 1.00 0.00 C ATOM 629 OE1 GLN A 43 6.646 13.121 11.421 1.00 0.00 O ATOM 630 NE2 GLN A 43 6.846 11.165 12.540 1.00 0.00 N ATOM 0 H GLN A 43 1.809 11.537 9.764 1.00 0.00 H new ATOM 0 HA GLN A 43 3.785 13.470 10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.747 11.917 12.601 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.892 10.779 11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.601 13.562 12.921 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.806 12.082 13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.427 10.495 13.185 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.773 10.989 12.153 1.00 0.00 H new ATOM 639 N GLY A 44 4.087 12.235 8.319 1.00 0.00 N ATOM 640 CA GLY A 44 4.765 11.650 7.203 1.00 0.00 C ATOM 641 C GLY A 44 4.616 12.466 5.965 1.00 0.00 C ATOM 642 O GLY A 44 3.692 13.267 5.827 1.00 0.00 O ATOM 0 H GLY A 44 3.537 13.062 8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.823 11.541 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.373 10.649 7.026 1.00 0.00 H new ATOM 646 N ALA A 45 5.509 12.227 4.989 1.00 0.00 N ATOM 647 CA ALA A 45 5.489 12.754 3.660 1.00 0.00 C ATOM 648 C ALA A 45 4.194 12.653 2.929 1.00 0.00 C ATOM 649 O ALA A 45 3.801 13.586 2.232 1.00 0.00 O ATOM 650 CB ALA A 45 6.594 12.063 2.845 1.00 0.00 C ATOM 0 H ALA A 45 6.310 11.615 5.144 1.00 0.00 H new ATOM 0 HA ALA A 45 5.654 13.826 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.593 12.453 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.562 12.256 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.411 10.989 2.822 1.00 0.00 H new ATOM 656 N ALA A 46 3.448 11.545 3.090 1.00 0.00 N ATOM 657 CA ALA A 46 2.157 11.335 2.512 1.00 0.00 C ATOM 658 C ALA A 46 1.139 12.371 2.847 1.00 0.00 C ATOM 659 O ALA A 46 0.398 12.826 1.978 1.00 0.00 O ATOM 660 CB ALA A 46 1.637 9.948 2.924 1.00 0.00 C ATOM 0 H ALA A 46 3.763 10.755 3.653 1.00 0.00 H new ATOM 0 HA ALA A 46 2.299 11.407 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.653 9.783 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.325 9.181 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.564 9.895 4.010 1.00 0.00 H new ATOM 666 N GLU A 47 1.101 12.814 4.117 1.00 0.00 N ATOM 667 CA GLU A 47 0.283 13.877 4.609 1.00 0.00 C ATOM 668 C GLU A 47 0.815 15.209 4.201 1.00 0.00 C ATOM 669 O GLU A 47 0.102 16.023 3.618 1.00 0.00 O ATOM 670 CB GLU A 47 0.188 13.793 6.141 1.00 0.00 C ATOM 671 CG GLU A 47 -0.650 14.867 6.840 1.00 0.00 C ATOM 672 CD GLU A 47 -2.154 14.633 6.824 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.776 14.652 5.728 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.749 14.511 7.928 1.00 0.00 O ATOM 0 H GLU A 47 1.681 12.401 4.847 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.711 13.769 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.222 12.818 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.199 13.833 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.322 14.942 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.444 15.828 6.370 1.00 0.00 H new ATOM 681 N SER A 48 2.104 15.483 4.470 1.00 0.00 N ATOM 682 CA SER A 48 2.761 16.726 4.212 1.00 0.00 C ATOM 683 C SER A 48 2.707 17.193 2.799 1.00 0.00 C ATOM 684 O SER A 48 2.281 18.308 2.503 1.00 0.00 O ATOM 685 CB SER A 48 4.256 16.692 4.574 1.00 0.00 C ATOM 686 OG SER A 48 4.466 16.479 5.962 1.00 0.00 O ATOM 0 H SER A 48 2.725 14.793 4.894 1.00 0.00 H new ATOM 0 HA SER A 48 2.197 17.412 4.844 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.747 15.901 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.722 17.632 4.278 1.00 0.00 H new ATOM 0 HG SER A 48 4.271 15.544 6.183 1.00 0.00 H new ATOM 692 N ASP A 49 3.124 16.331 1.854 1.00 0.00 N ATOM 693 CA ASP A 49 3.187 16.635 0.458 1.00 0.00 C ATOM 694 C ASP A 49 1.843 16.477 -0.163 1.00 0.00 C ATOM 695 O ASP A 49 1.429 17.268 -1.010 1.00 0.00 O ATOM 696 CB ASP A 49 4.272 15.732 -0.153 1.00 0.00 C ATOM 697 CG ASP A 49 4.978 16.356 -1.349 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.268 17.581 -1.337 1.00 0.00 O ATOM 699 OD2 ASP A 49 5.344 15.595 -2.284 1.00 0.00 O ATOM 0 H ASP A 49 3.430 15.383 2.072 1.00 0.00 H new ATOM 0 HA ASP A 49 3.464 17.673 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.011 15.496 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.819 14.789 -0.460 1.00 0.00 H new ATOM 704 N GLY A 50 1.063 15.478 0.287 1.00 0.00 N ATOM 705 CA GLY A 50 -0.317 15.325 -0.053 1.00 0.00 C ATOM 706 C GLY A 50 -0.501 14.511 -1.288 1.00 0.00 C ATOM 707 O GLY A 50 -0.731 15.040 -2.373 1.00 0.00 O ATOM 0 H GLY A 50 1.407 14.749 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.844 14.851 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.766 16.308 -0.196 1.00 0.00 H new ATOM 711 N ARG A 51 -0.410 13.175 -1.154 1.00 0.00 N ATOM 712 CA ARG A 51 -0.102 12.325 -2.262 1.00 0.00 C ATOM 713 C ARG A 51 -0.953 11.104 -2.320 1.00 0.00 C ATOM 714 O ARG A 51 -1.422 10.751 -3.401 1.00 0.00 O ATOM 715 CB ARG A 51 1.369 11.887 -2.166 1.00 0.00 C ATOM 716 CG ARG A 51 2.414 12.967 -2.458 1.00 0.00 C ATOM 717 CD ARG A 51 2.527 13.380 -3.927 1.00 0.00 C ATOM 718 NE ARG A 51 3.638 14.372 -3.991 1.00 0.00 N ATOM 719 CZ ARG A 51 4.062 15.015 -5.117 1.00 0.00 C ATOM 720 NH1 ARG A 51 3.606 14.704 -6.365 1.00 0.00 N ATOM 721 NH2 ARG A 51 5.006 15.990 -4.971 1.00 0.00 N ATOM 0 H ARG A 51 -0.551 12.682 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.294 12.903 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.547 11.500 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.527 11.061 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.176 13.850 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.387 12.610 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.737 12.518 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.594 13.816 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 51 4.122 14.588 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.917 13.961 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.954 15.214 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.368 16.214 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.349 16.494 -5.789 1.00 0.00 H new ATOM 735 N ILE A 52 -1.201 10.410 -1.194 1.00 0.00 N ATOM 736 CA ILE A 52 -2.033 9.249 -1.131 1.00 0.00 C ATOM 737 C ILE A 52 -2.991 9.523 -0.022 1.00 0.00 C ATOM 738 O ILE A 52 -2.635 10.174 0.959 1.00 0.00 O ATOM 739 CB ILE A 52 -1.274 7.977 -0.893 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.157 7.791 -1.932 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.235 6.777 -0.924 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.745 6.583 -1.679 1.00 0.00 C ATOM 0 H ILE A 52 -0.805 10.669 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.529 9.084 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.809 8.039 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.608 7.692 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.458 8.691 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.675 5.858 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.989 6.895 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.723 6.726 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.505 6.527 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.228 6.687 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.146 5.673 -1.690 1.00 0.00 H new ATOM 754 N HIS A 53 -4.265 9.112 -0.151 1.00 0.00 N ATOM 755 CA HIS A 53 -5.299 9.489 0.761 1.00 0.00 C ATOM 756 C HIS A 53 -6.091 8.315 1.220 1.00 0.00 C ATOM 757 O HIS A 53 -5.864 7.162 0.855 1.00 0.00 O ATOM 758 CB HIS A 53 -6.244 10.524 0.126 1.00 0.00 C ATOM 759 CG HIS A 53 -5.511 11.684 -0.483 1.00 0.00 C ATOM 760 ND1 HIS A 53 -5.372 12.860 0.225 1.00 0.00 N ATOM 761 CD2 HIS A 53 -4.833 11.765 -1.659 1.00 0.00 C ATOM 762 CE1 HIS A 53 -4.603 13.631 -0.519 1.00 0.00 C ATOM 763 NE2 HIS A 53 -4.252 13.016 -1.680 1.00 0.00 N ATOM 0 H HIS A 53 -4.583 8.504 -0.906 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.806 9.932 1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.846 10.037 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.933 10.894 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.763 11.004 -2.422 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.291 14.627 -0.241 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.671 13.405 -2.423 1.00 0.00 H new ATOM 771 N LYS A 54 -7.066 8.570 2.112 1.00 0.00 N ATOM 772 CA LYS A 54 -7.981 7.600 2.631 1.00 0.00 C ATOM 773 C LYS A 54 -8.769 6.866 1.602 1.00 0.00 C ATOM 774 O LYS A 54 -9.509 7.447 0.809 1.00 0.00 O ATOM 775 CB LYS A 54 -8.913 8.253 3.666 1.00 0.00 C ATOM 776 CG LYS A 54 -9.970 7.331 4.276 1.00 0.00 C ATOM 777 CD LYS A 54 -10.750 8.023 5.396 1.00 0.00 C ATOM 778 CE LYS A 54 -12.130 7.411 5.648 1.00 0.00 C ATOM 779 NZ LYS A 54 -13.098 7.868 4.626 1.00 0.00 N ATOM 0 H LYS A 54 -7.224 9.504 2.491 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.362 6.839 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.303 8.661 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.419 9.094 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.661 7.006 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.488 6.435 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.167 7.976 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.869 9.077 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.060 6.323 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.482 7.691 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.028 7.442 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.178 8.904 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.769 7.579 3.683 1.00 0.00 H new ATOM 793 N GLY A 55 -8.667 5.525 1.616 1.00 0.00 N ATOM 794 CA GLY A 55 -9.371 4.637 0.744 1.00 0.00 C ATOM 795 C GLY A 55 -8.895 4.496 -0.660 1.00 0.00 C ATOM 796 O GLY A 55 -9.650 3.991 -1.491 1.00 0.00 O ATOM 0 H GLY A 55 -8.060 5.034 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.359 3.647 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.411 4.960 0.711 1.00 0.00 H new ATOM 800 N ASP A 56 -7.639 4.848 -0.988 1.00 0.00 N ATOM 801 CA ASP A 56 -7.027 4.476 -2.225 1.00 0.00 C ATOM 802 C ASP A 56 -6.696 3.023 -2.257 1.00 0.00 C ATOM 803 O ASP A 56 -6.553 2.380 -1.218 1.00 0.00 O ATOM 804 CB ASP A 56 -5.770 5.316 -2.508 1.00 0.00 C ATOM 805 CG ASP A 56 -6.118 6.768 -2.802 1.00 0.00 C ATOM 806 OD1 ASP A 56 -6.987 6.996 -3.685 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.510 7.689 -2.191 1.00 0.00 O ATOM 0 H ASP A 56 -7.036 5.403 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.755 4.677 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.100 5.269 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.232 4.892 -3.356 1.00 0.00 H new ATOM 812 N ARG A 57 -6.567 2.426 -3.455 1.00 0.00 N ATOM 813 CA ARG A 57 -6.393 1.017 -3.625 1.00 0.00 C ATOM 814 C ARG A 57 -5.131 0.772 -4.379 1.00 0.00 C ATOM 815 O ARG A 57 -4.992 1.140 -5.544 1.00 0.00 O ATOM 816 CB ARG A 57 -7.562 0.367 -4.383 1.00 0.00 C ATOM 817 CG ARG A 57 -7.438 -1.154 -4.498 1.00 0.00 C ATOM 818 CD ARG A 57 -8.659 -1.913 -5.019 1.00 0.00 C ATOM 819 NE ARG A 57 -8.838 -1.660 -6.476 1.00 0.00 N ATOM 820 CZ ARG A 57 -9.201 -2.617 -7.380 1.00 0.00 C ATOM 821 NH1 ARG A 57 -9.133 -3.958 -7.134 1.00 0.00 N ATOM 822 NH2 ARG A 57 -9.652 -2.240 -8.612 1.00 0.00 N ATOM 0 H ARG A 57 -6.584 2.941 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.353 0.568 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.495 0.611 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.621 0.796 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.596 -1.377 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.189 -1.549 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.536 -2.981 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.550 -1.600 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.680 -0.713 -6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.796 -4.295 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.420 -4.623 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.716 -1.250 -8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.925 -2.948 -9.294 1.00 0.00 H new ATOM 836 N VAL A 58 -4.124 0.146 -3.743 1.00 0.00 N ATOM 837 CA VAL A 58 -2.833 -0.028 -4.331 1.00 0.00 C ATOM 838 C VAL A 58 -2.665 -1.401 -4.888 1.00 0.00 C ATOM 839 O VAL A 58 -3.343 -2.351 -4.503 1.00 0.00 O ATOM 840 CB VAL A 58 -1.714 0.286 -3.383 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.786 1.773 -2.998 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.772 -0.598 -2.125 1.00 0.00 C ATOM 0 H VAL A 58 -4.208 -0.246 -2.805 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.779 0.691 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.767 0.077 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.976 2.010 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.691 2.386 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.743 1.979 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.946 -0.342 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.717 -0.433 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.694 -1.646 -2.413 1.00 0.00 H new ATOM 852 N LEU A 59 -1.741 -1.555 -5.853 1.00 0.00 N ATOM 853 CA LEU A 59 -1.383 -2.839 -6.370 1.00 0.00 C ATOM 854 C LEU A 59 0.096 -3.008 -6.421 1.00 0.00 C ATOM 855 O LEU A 59 0.699 -3.631 -5.548 1.00 0.00 O ATOM 856 CB LEU A 59 -2.019 -3.062 -7.753 1.00 0.00 C ATOM 857 CG LEU A 59 -1.871 -4.477 -8.338 1.00 0.00 C ATOM 858 CD1 LEU A 59 -2.609 -5.540 -7.506 1.00 0.00 C ATOM 859 CD2 LEU A 59 -2.372 -4.520 -9.791 1.00 0.00 C ATOM 0 H LEU A 59 -1.236 -0.779 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.773 -3.598 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.081 -2.826 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.579 -2.352 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.807 -4.714 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.472 -6.520 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.207 -5.553 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.672 -5.302 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.258 -5.530 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.424 -4.235 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.790 -3.826 -10.397 1.00 0.00 H new ATOM 871 N ALA A 60 0.756 -2.476 -7.465 1.00 0.00 N ATOM 872 CA ALA A 60 2.071 -2.904 -7.831 1.00 0.00 C ATOM 873 C ALA A 60 3.152 -2.009 -7.330 1.00 0.00 C ATOM 874 O ALA A 60 3.139 -0.798 -7.543 1.00 0.00 O ATOM 875 CB ALA A 60 2.162 -3.052 -9.359 1.00 0.00 C ATOM 0 H ALA A 60 0.374 -1.742 -8.061 1.00 0.00 H new ATOM 0 HA ALA A 60 2.233 -3.868 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.165 -3.378 -9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.435 -3.790 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.950 -2.092 -9.831 1.00 0.00 H new ATOM 881 N VAL A 61 4.160 -2.585 -6.650 1.00 0.00 N ATOM 882 CA VAL A 61 5.319 -1.883 -6.191 1.00 0.00 C ATOM 883 C VAL A 61 6.390 -1.982 -7.222 1.00 0.00 C ATOM 884 O VAL A 61 6.872 -3.056 -7.576 1.00 0.00 O ATOM 885 CB VAL A 61 5.742 -2.307 -4.816 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.030 -3.813 -4.700 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.936 -1.474 -4.317 1.00 0.00 C ATOM 0 H VAL A 61 4.168 -3.577 -6.411 1.00 0.00 H new ATOM 0 HA VAL A 61 5.079 -0.827 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 61 4.888 -2.112 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.330 -4.048 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.131 -4.376 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.833 -4.084 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.219 -1.805 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.779 -1.605 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.657 -0.421 -4.284 1.00 0.00 H new ATOM 897 N ASN A 62 6.733 -0.842 -7.846 1.00 0.00 N ATOM 898 CA ASN A 62 7.708 -0.691 -8.883 1.00 0.00 C ATOM 899 C ASN A 62 7.457 -1.542 -10.080 1.00 0.00 C ATOM 900 O ASN A 62 8.369 -1.947 -10.798 1.00 0.00 O ATOM 901 CB ASN A 62 9.118 -0.731 -8.270 1.00 0.00 C ATOM 902 CG ASN A 62 10.255 -0.333 -9.200 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.386 0.809 -9.638 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.152 -1.307 -9.507 1.00 0.00 N ATOM 0 H ASN A 62 6.292 0.046 -7.605 1.00 0.00 H new ATOM 0 HA ASN A 62 7.614 0.297 -9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.135 -0.072 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.307 -1.741 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.948 -1.096 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.029 -2.249 -9.136 1.00 0.00 H new ATOM 911 N GLY A 63 6.175 -1.806 -10.392 1.00 0.00 N ATOM 912 CA GLY A 63 5.751 -2.555 -11.533 1.00 0.00 C ATOM 913 C GLY A 63 5.366 -3.967 -11.252 1.00 0.00 C ATOM 914 O GLY A 63 4.765 -4.624 -12.102 1.00 0.00 O ATOM 0 H GLY A 63 5.396 -1.480 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.901 -2.046 -11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.555 -2.553 -12.269 1.00 0.00 H new ATOM 918 N VAL A 64 5.675 -4.494 -10.055 1.00 0.00 N ATOM 919 CA VAL A 64 5.472 -5.870 -9.720 1.00 0.00 C ATOM 920 C VAL A 64 4.187 -6.080 -8.996 1.00 0.00 C ATOM 921 O VAL A 64 4.014 -5.620 -7.869 1.00 0.00 O ATOM 922 CB VAL A 64 6.588 -6.401 -8.868 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.474 -7.928 -8.735 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.946 -6.049 -9.498 1.00 0.00 C ATOM 0 H VAL A 64 6.079 -3.946 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 64 5.446 -6.410 -10.667 1.00 0.00 H new ATOM 0 HB VAL A 64 6.515 -5.945 -7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.289 -8.301 -8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.520 -8.183 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.532 -8.385 -9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.749 -6.439 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.012 -6.493 -10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.041 -4.966 -9.577 1.00 0.00 H new ATOM 934 N SER A 65 3.235 -6.835 -9.572 1.00 0.00 N ATOM 935 CA SER A 65 2.020 -7.201 -8.913 1.00 0.00 C ATOM 936 C SER A 65 2.232 -8.284 -7.912 1.00 0.00 C ATOM 937 O SER A 65 2.834 -9.321 -8.188 1.00 0.00 O ATOM 938 CB SER A 65 0.897 -7.648 -9.863 1.00 0.00 C ATOM 939 OG SER A 65 -0.327 -7.857 -9.173 1.00 0.00 O ATOM 0 H SER A 65 3.312 -7.201 -10.521 1.00 0.00 H new ATOM 0 HA SER A 65 1.704 -6.281 -8.421 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.754 -6.894 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.192 -8.569 -10.366 1.00 0.00 H new ATOM 0 HG SER A 65 -0.953 -8.336 -9.755 1.00 0.00 H new ATOM 945 N LEU A 66 1.699 -8.078 -6.694 1.00 0.00 N ATOM 946 CA LEU A 66 1.891 -8.920 -5.553 1.00 0.00 C ATOM 947 C LEU A 66 0.930 -10.056 -5.485 1.00 0.00 C ATOM 948 O LEU A 66 1.141 -10.995 -4.718 1.00 0.00 O ATOM 949 CB LEU A 66 1.861 -8.108 -4.247 1.00 0.00 C ATOM 950 CG LEU A 66 0.558 -7.520 -3.679 1.00 0.00 C ATOM 951 CD1 LEU A 66 -0.299 -6.739 -4.691 1.00 0.00 C ATOM 952 CD2 LEU A 66 -0.303 -8.515 -2.883 1.00 0.00 C ATOM 0 H LEU A 66 1.099 -7.277 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 66 2.882 -9.359 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.281 -8.747 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.550 -7.274 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 66 0.936 -6.788 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.195 -6.364 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.276 -5.901 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.586 -7.398 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.200 -8.012 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.588 -9.347 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.268 -8.893 -2.035 1.00 0.00 H new ATOM 964 N GLU A 67 -0.147 -10.034 -6.289 1.00 0.00 N ATOM 965 CA GLU A 67 -1.281 -10.901 -6.183 1.00 0.00 C ATOM 966 C GLU A 67 -0.961 -12.354 -6.117 1.00 0.00 C ATOM 967 O GLU A 67 -0.147 -12.881 -6.875 1.00 0.00 O ATOM 968 CB GLU A 67 -2.314 -10.563 -7.271 1.00 0.00 C ATOM 969 CG GLU A 67 -1.906 -10.954 -8.692 1.00 0.00 C ATOM 970 CD GLU A 67 -2.641 -10.148 -9.753 1.00 0.00 C ATOM 971 OE1 GLU A 67 -3.902 -10.131 -9.763 1.00 0.00 O ATOM 972 OE2 GLU A 67 -1.944 -9.525 -10.597 1.00 0.00 O ATOM 0 H GLU A 67 -0.232 -9.371 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.725 -10.702 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.252 -11.062 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.508 -9.491 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.832 -10.810 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.104 -12.015 -8.844 1.00 0.00 H new ATOM 979 N GLY A 68 -1.529 -13.043 -5.111 1.00 0.00 N ATOM 980 CA GLY A 68 -1.063 -14.311 -4.644 1.00 0.00 C ATOM 981 C GLY A 68 -0.416 -14.218 -3.305 1.00 0.00 C ATOM 982 O GLY A 68 -0.517 -15.127 -2.484 1.00 0.00 O ATOM 0 H GLY A 68 -2.345 -12.703 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.900 -15.007 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.352 -14.721 -5.361 1.00 0.00 H new ATOM 986 N ALA A 69 0.296 -13.113 -3.016 1.00 0.00 N ATOM 987 CA ALA A 69 0.880 -12.863 -1.735 1.00 0.00 C ATOM 988 C ALA A 69 -0.131 -12.416 -0.735 1.00 0.00 C ATOM 989 O ALA A 69 -1.189 -11.890 -1.073 1.00 0.00 O ATOM 990 CB ALA A 69 1.964 -11.775 -1.819 1.00 0.00 C ATOM 0 H ALA A 69 0.470 -12.372 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 69 1.315 -13.811 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.389 -11.608 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.750 -12.097 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.522 -10.848 -2.185 1.00 0.00 H new ATOM 996 N THR A 70 0.158 -12.640 0.560 1.00 0.00 N ATOM 997 CA THR A 70 -0.566 -12.064 1.649 1.00 0.00 C ATOM 998 C THR A 70 0.092 -10.800 2.084 1.00 0.00 C ATOM 999 O THR A 70 1.279 -10.570 1.853 1.00 0.00 O ATOM 1000 CB THR A 70 -0.726 -12.965 2.837 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.510 -13.466 3.326 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.584 -14.182 2.455 1.00 0.00 C ATOM 0 H THR A 70 0.924 -13.244 0.858 1.00 0.00 H new ATOM 0 HA THR A 70 -1.569 -11.879 1.265 1.00 0.00 H new ATOM 0 HB THR A 70 -1.193 -12.359 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.345 -14.045 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.697 -14.834 3.321 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.566 -13.845 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.098 -14.731 1.649 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.666 -9.942 2.790 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.276 -8.725 3.432 1.00 0.00 C ATOM 1012 C HIS A 71 1.028 -8.727 4.151 1.00 0.00 C ATOM 1013 O HIS A 71 1.826 -7.806 3.984 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.402 -8.363 4.417 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.158 -7.191 5.319 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.783 -5.930 4.903 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.227 -7.132 6.676 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.635 -5.176 6.025 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -0.867 -5.876 7.121 1.00 0.00 N ATOM 0 H HIS A 71 -1.661 -10.124 2.924 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.124 -7.996 2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.307 -8.167 3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.603 -9.235 5.039 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.644 -5.623 3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.522 -7.952 7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.361 -4.131 6.021 1.00 0.00 H new ATOM 1027 N LYS A 72 1.334 -9.767 4.947 1.00 0.00 N ATOM 1028 CA LYS A 72 2.560 -9.879 5.676 1.00 0.00 C ATOM 1029 C LYS A 72 3.779 -9.902 4.821 1.00 0.00 C ATOM 1030 O LYS A 72 4.800 -9.291 5.135 1.00 0.00 O ATOM 1031 CB LYS A 72 2.504 -11.106 6.601 1.00 0.00 C ATOM 1032 CG LYS A 72 3.644 -11.251 7.611 1.00 0.00 C ATOM 1033 CD LYS A 72 3.795 -10.096 8.603 1.00 0.00 C ATOM 1034 CE LYS A 72 2.658 -9.928 9.613 1.00 0.00 C ATOM 1035 NZ LYS A 72 2.758 -10.898 10.727 1.00 0.00 N ATOM 0 H LYS A 72 0.706 -10.558 5.088 1.00 0.00 H new ATOM 0 HA LYS A 72 2.652 -8.971 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.563 -11.077 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.483 -12.001 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.493 -12.173 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.580 -11.361 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.726 -10.235 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.893 -9.169 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.675 -8.914 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.701 -10.055 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.076 -10.645 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.548 -11.854 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.721 -10.878 11.119 1.00 0.00 H new ATOM 1049 N GLN A 73 3.704 -10.564 3.652 1.00 0.00 N ATOM 1050 CA GLN A 73 4.736 -10.590 2.662 1.00 0.00 C ATOM 1051 C GLN A 73 4.761 -9.342 1.849 1.00 0.00 C ATOM 1052 O GLN A 73 5.829 -8.799 1.566 1.00 0.00 O ATOM 1053 CB GLN A 73 4.554 -11.831 1.773 1.00 0.00 C ATOM 1054 CG GLN A 73 5.558 -11.994 0.629 1.00 0.00 C ATOM 1055 CD GLN A 73 6.991 -12.164 1.113 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.434 -13.268 1.426 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.755 -11.042 1.199 1.00 0.00 N ATOM 0 H GLN A 73 2.883 -11.108 3.385 1.00 0.00 H new ATOM 0 HA GLN A 73 5.700 -10.647 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.608 -12.717 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.551 -11.804 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.278 -12.860 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.502 -11.122 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.365 -10.138 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.718 -11.105 1.529 1.00 0.00 H new ATOM 1066 N ALA A 74 3.595 -8.800 1.458 1.00 0.00 N ATOM 1067 CA ALA A 74 3.468 -7.591 0.707 1.00 0.00 C ATOM 1068 C ALA A 74 4.034 -6.388 1.382 1.00 0.00 C ATOM 1069 O ALA A 74 4.642 -5.528 0.747 1.00 0.00 O ATOM 1070 CB ALA A 74 1.986 -7.341 0.381 1.00 0.00 C ATOM 0 H ALA A 74 2.695 -9.227 1.677 1.00 0.00 H new ATOM 0 HA ALA A 74 4.054 -7.737 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.890 -6.419 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.597 -8.174 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.419 -7.253 1.308 1.00 0.00 H new ATOM 1076 N VAL A 75 3.882 -6.268 2.712 1.00 0.00 N ATOM 1077 CA VAL A 75 4.474 -5.209 3.471 1.00 0.00 C ATOM 1078 C VAL A 75 5.953 -5.338 3.594 1.00 0.00 C ATOM 1079 O VAL A 75 6.668 -4.338 3.551 1.00 0.00 O ATOM 1080 CB VAL A 75 3.781 -4.974 4.780 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.099 -6.041 5.841 1.00 0.00 C ATOM 1082 CG2 VAL A 75 4.126 -3.566 5.297 1.00 0.00 C ATOM 0 H VAL A 75 3.336 -6.921 3.274 1.00 0.00 H new ATOM 0 HA VAL A 75 4.315 -4.299 2.893 1.00 0.00 H new ATOM 0 HB VAL A 75 2.709 -5.051 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.565 -5.809 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.787 -7.020 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.171 -6.052 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.623 -3.394 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.204 -3.484 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.796 -2.821 4.573 1.00 0.00 H new ATOM 1092 N GLU A 76 6.503 -6.563 3.667 1.00 0.00 N ATOM 1093 CA GLU A 76 7.910 -6.821 3.660 1.00 0.00 C ATOM 1094 C GLU A 76 8.573 -6.365 2.406 1.00 0.00 C ATOM 1095 O GLU A 76 9.587 -5.669 2.439 1.00 0.00 O ATOM 1096 CB GLU A 76 8.204 -8.310 3.907 1.00 0.00 C ATOM 1097 CG GLU A 76 9.686 -8.633 4.109 1.00 0.00 C ATOM 1098 CD GLU A 76 9.926 -10.091 4.471 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.934 -10.966 3.565 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.121 -10.381 5.682 1.00 0.00 O ATOM 0 H GLU A 76 5.942 -7.412 3.734 1.00 0.00 H new ATOM 0 HA GLU A 76 8.331 -6.237 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.650 -8.637 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.830 -8.888 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.233 -8.395 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.088 -7.996 4.897 1.00 0.00 H new ATOM 1107 N THR A 77 7.980 -6.676 1.240 1.00 0.00 N ATOM 1108 CA THR A 77 8.393 -6.222 -0.051 1.00 0.00 C ATOM 1109 C THR A 77 8.451 -4.736 -0.140 1.00 0.00 C ATOM 1110 O THR A 77 9.442 -4.161 -0.586 1.00 0.00 O ATOM 1111 CB THR A 77 7.489 -6.737 -1.132 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.479 -8.156 -1.132 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.955 -6.321 -2.538 1.00 0.00 C ATOM 0 H THR A 77 7.161 -7.282 1.197 1.00 0.00 H new ATOM 0 HA THR A 77 9.398 -6.619 -0.196 1.00 0.00 H new ATOM 0 HB THR A 77 6.507 -6.315 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.943 -8.479 -0.378 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.266 -6.720 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.975 -5.233 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.955 -6.715 -2.721 1.00 0.00 H new ATOM 1121 N LEU A 78 7.388 -4.046 0.313 1.00 0.00 N ATOM 1122 CA LEU A 78 7.221 -2.635 0.148 1.00 0.00 C ATOM 1123 C LEU A 78 7.999 -1.798 1.105 1.00 0.00 C ATOM 1124 O LEU A 78 8.515 -0.747 0.728 1.00 0.00 O ATOM 1125 CB LEU A 78 5.722 -2.302 0.238 1.00 0.00 C ATOM 1126 CG LEU A 78 5.330 -0.872 -0.174 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.995 -0.863 -0.938 1.00 0.00 C ATOM 1128 CD2 LEU A 78 5.226 0.082 1.028 1.00 0.00 C ATOM 0 H LEU A 78 6.616 -4.488 0.813 1.00 0.00 H new ATOM 0 HA LEU A 78 7.625 -2.384 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.174 -3.004 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.393 -2.468 1.264 1.00 0.00 H new ATOM 0 HG LEU A 78 6.130 -0.516 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.742 0.160 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.086 -1.472 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.209 -1.270 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.947 1.077 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.469 -0.286 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.189 0.133 1.537 1.00 0.00 H new ATOM 1140 N ARG A 79 8.161 -2.214 2.373 1.00 0.00 N ATOM 1141 CA ARG A 79 8.954 -1.521 3.340 1.00 0.00 C ATOM 1142 C ARG A 79 10.385 -1.373 2.953 1.00 0.00 C ATOM 1143 O ARG A 79 11.016 -0.356 3.236 1.00 0.00 O ATOM 1144 CB ARG A 79 8.919 -2.235 4.701 1.00 0.00 C ATOM 1145 CG ARG A 79 7.721 -1.875 5.582 1.00 0.00 C ATOM 1146 CD ARG A 79 7.630 -2.790 6.805 1.00 0.00 C ATOM 1147 NE ARG A 79 6.529 -2.310 7.688 1.00 0.00 N ATOM 1148 CZ ARG A 79 5.876 -3.135 8.558 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.098 -4.481 8.606 1.00 0.00 N ATOM 1150 NH2 ARG A 79 4.988 -2.593 9.442 1.00 0.00 N ATOM 0 H ARG A 79 7.726 -3.061 2.738 1.00 0.00 H new ATOM 0 HA ARG A 79 8.507 -0.529 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.917 -3.312 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.835 -2.000 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.806 -0.838 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.803 -1.952 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.442 -3.818 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.575 -2.789 7.347 1.00 0.00 H new ATOM 0 HE ARG A 79 6.253 -1.329 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.775 -4.909 7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.587 -5.059 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.821 -1.587 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.491 -3.194 10.099 1.00 0.00 H new ATOM 1164 N ASN A 80 10.976 -2.389 2.299 1.00 0.00 N ATOM 1165 CA ASN A 80 12.385 -2.431 2.058 1.00 0.00 C ATOM 1166 C ASN A 80 12.757 -1.905 0.714 1.00 0.00 C ATOM 1167 O ASN A 80 13.334 -2.605 -0.118 1.00 0.00 O ATOM 1168 CB ASN A 80 12.907 -3.862 2.270 1.00 0.00 C ATOM 1169 CG ASN A 80 12.796 -4.236 3.741 1.00 0.00 C ATOM 1170 OD1 ASN A 80 13.604 -3.807 4.563 1.00 0.00 O ATOM 1171 ND2 ASN A 80 11.762 -5.040 4.106 1.00 0.00 N ATOM 0 H ASN A 80 10.468 -3.194 1.932 1.00 0.00 H new ATOM 0 HA ASN A 80 12.864 -1.768 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.334 -4.562 1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.945 -3.933 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.641 -5.303 5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.108 -5.381 3.402 1.00 0.00 H new ATOM 1178 N THR A 81 12.436 -0.624 0.465 1.00 0.00 N ATOM 1179 CA THR A 81 12.722 0.132 -0.715 1.00 0.00 C ATOM 1180 C THR A 81 13.915 1.005 -0.524 1.00 0.00 C ATOM 1181 O THR A 81 14.988 0.745 -1.067 1.00 0.00 O ATOM 1182 CB THR A 81 11.562 0.985 -1.134 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.943 1.604 -0.015 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.512 0.084 -1.804 1.00 0.00 C ATOM 0 H THR A 81 11.930 -0.068 1.154 1.00 0.00 H new ATOM 0 HA THR A 81 12.924 -0.597 -1.500 1.00 0.00 H new ATOM 0 HB THR A 81 11.932 1.756 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.192 2.155 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.660 0.688 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.951 -0.401 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.179 -0.675 -1.096 1.00 0.00 H new ATOM 1192 N GLY A 82 13.776 2.096 0.251 1.00 0.00 N ATOM 1193 CA GLY A 82 14.822 3.014 0.581 1.00 0.00 C ATOM 1194 C GLY A 82 14.586 4.376 0.025 1.00 0.00 C ATOM 1195 O GLY A 82 13.630 5.052 0.398 1.00 0.00 O ATOM 0 H GLY A 82 12.882 2.351 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.914 3.079 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.770 2.630 0.203 1.00 0.00 H new ATOM 1199 N GLN A 83 15.465 4.842 -0.880 1.00 0.00 N ATOM 1200 CA GLN A 83 15.498 6.201 -1.322 1.00 0.00 C ATOM 1201 C GLN A 83 14.450 6.527 -2.329 1.00 0.00 C ATOM 1202 O GLN A 83 13.896 7.625 -2.330 1.00 0.00 O ATOM 1203 CB GLN A 83 16.893 6.581 -1.851 1.00 0.00 C ATOM 1204 CG GLN A 83 17.052 8.073 -2.150 1.00 0.00 C ATOM 1205 CD GLN A 83 18.455 8.483 -2.573 1.00 0.00 C ATOM 1206 OE1 GLN A 83 19.101 9.324 -1.949 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.951 7.905 -3.700 1.00 0.00 N ATOM 0 H GLN A 83 16.175 4.255 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 83 15.275 6.803 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.643 6.285 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.094 6.014 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.352 8.350 -2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.773 8.641 -1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.399 7.210 -4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.875 8.167 -4.043 1.00 0.00 H new ATOM 1216 N VAL A 84 14.121 5.590 -3.237 1.00 0.00 N ATOM 1217 CA VAL A 84 13.220 5.834 -4.320 1.00 0.00 C ATOM 1218 C VAL A 84 11.881 5.221 -4.089 1.00 0.00 C ATOM 1219 O VAL A 84 11.698 4.361 -3.229 1.00 0.00 O ATOM 1220 CB VAL A 84 13.779 5.372 -5.633 1.00 0.00 C ATOM 1221 CG1 VAL A 84 15.015 6.220 -5.979 1.00 0.00 C ATOM 1222 CG2 VAL A 84 14.127 3.873 -5.602 1.00 0.00 C ATOM 0 H VAL A 84 14.491 4.640 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 84 13.093 6.916 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 84 13.022 5.504 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.427 5.890 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.728 7.269 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.767 6.103 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.529 3.573 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.870 3.688 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.228 3.295 -5.388 1.00 0.00 H new ATOM 1232 N VAL A 85 10.867 5.683 -4.842 1.00 0.00 N ATOM 1233 CA VAL A 85 9.527 5.182 -4.804 1.00 0.00 C ATOM 1234 C VAL A 85 9.013 5.085 -6.200 1.00 0.00 C ATOM 1235 O VAL A 85 9.102 6.041 -6.968 1.00 0.00 O ATOM 1236 CB VAL A 85 8.595 6.087 -4.054 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.142 5.589 -4.105 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.037 6.209 -2.586 1.00 0.00 C ATOM 0 H VAL A 85 10.987 6.444 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 85 9.559 4.216 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 85 8.637 7.062 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.503 6.275 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.809 5.543 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.082 4.596 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.352 6.869 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.028 5.224 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.045 6.621 -2.543 1.00 0.00 H new ATOM 1248 N HIS A 86 8.427 3.940 -6.595 1.00 0.00 N ATOM 1249 CA HIS A 86 7.581 3.866 -7.745 1.00 0.00 C ATOM 1250 C HIS A 86 6.449 2.950 -7.428 1.00 0.00 C ATOM 1251 O HIS A 86 6.670 1.833 -6.963 1.00 0.00 O ATOM 1252 CB HIS A 86 8.332 3.364 -8.991 1.00 0.00 C ATOM 1253 CG HIS A 86 7.658 3.711 -10.286 1.00 0.00 C ATOM 1254 ND1 HIS A 86 7.828 4.990 -10.774 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.855 2.989 -11.111 1.00 0.00 C ATOM 1256 CE1 HIS A 86 7.116 5.032 -11.884 1.00 0.00 C ATOM 1257 NE2 HIS A 86 6.511 3.842 -12.140 1.00 0.00 N ATOM 0 H HIS A 86 8.543 3.051 -6.108 1.00 0.00 H new ATOM 0 HA HIS A 86 7.220 4.868 -7.979 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.338 3.785 -8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.440 2.281 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.549 1.961 -10.987 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.025 5.905 -12.513 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.917 3.622 -12.939 1.00 0.00 H new ATOM 1265 N LEU A 87 5.185 3.362 -7.631 1.00 0.00 N ATOM 1266 CA LEU A 87 4.067 2.518 -7.345 1.00 0.00 C ATOM 1267 C LEU A 87 2.900 2.773 -8.235 1.00 0.00 C ATOM 1268 O LEU A 87 2.769 3.827 -8.857 1.00 0.00 O ATOM 1269 CB LEU A 87 3.649 2.499 -5.865 1.00 0.00 C ATOM 1270 CG LEU A 87 2.829 3.686 -5.329 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.285 3.353 -3.930 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.613 5.009 -5.263 1.00 0.00 C ATOM 0 H LEU A 87 4.937 4.282 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 87 4.433 1.515 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.072 1.590 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.555 2.420 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 87 2.018 3.837 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.705 4.196 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.647 2.471 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.117 3.155 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.966 5.796 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.474 4.889 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.955 5.280 -6.262 1.00 0.00 H new ATOM 1284 N LEU A 88 1.999 1.780 -8.341 1.00 0.00 N ATOM 1285 CA LEU A 88 0.850 1.818 -9.192 1.00 0.00 C ATOM 1286 C LEU A 88 -0.361 1.669 -8.338 1.00 0.00 C ATOM 1287 O LEU A 88 -0.531 0.680 -7.625 1.00 0.00 O ATOM 1288 CB LEU A 88 0.836 0.668 -10.213 1.00 0.00 C ATOM 1289 CG LEU A 88 1.750 0.814 -11.440 1.00 0.00 C ATOM 1290 CD1 LEU A 88 3.255 0.724 -11.136 1.00 0.00 C ATOM 1291 CD2 LEU A 88 1.378 -0.263 -12.473 1.00 0.00 C ATOM 0 H LEU A 88 2.075 0.912 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 88 0.870 2.762 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.111 -0.250 -9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.187 0.541 -10.566 1.00 0.00 H new ATOM 0 HG LEU A 88 1.583 1.821 -11.822 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.820 0.838 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.534 1.516 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.479 -0.245 -10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.022 -0.167 -13.347 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.510 -1.251 -12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.338 -0.136 -12.773 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.244 2.682 -8.385 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.403 2.790 -7.555 1.00 0.00 C ATOM 1305 C LEU A 89 -3.626 2.932 -8.394 1.00 0.00 C ATOM 1306 O LEU A 89 -3.578 3.312 -9.563 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.377 3.998 -6.603 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.018 4.419 -6.019 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.200 5.309 -6.969 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.240 5.235 -4.734 1.00 0.00 C ATOM 0 H LEU A 89 -1.145 3.463 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.411 1.877 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.793 4.853 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.048 3.784 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.469 3.494 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.747 5.571 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.007 4.770 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.760 6.218 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.276 5.533 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.826 6.124 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.775 4.627 -4.005 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.800 2.668 -7.792 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.086 3.063 -8.277 1.00 0.00 C ATOM 1324 C GLU A 90 -6.648 4.033 -7.296 1.00 0.00 C ATOM 1325 O GLU A 90 -6.573 3.835 -6.085 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.015 1.842 -8.393 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.392 2.147 -8.987 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.276 0.916 -8.840 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.701 0.623 -7.692 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.550 0.223 -9.856 1.00 0.00 O ATOM 0 H GLU A 90 -4.854 2.149 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.998 3.512 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.527 1.087 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.149 1.408 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.843 2.998 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.297 2.420 -10.038 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.231 5.143 -7.785 1.00 0.00 N ATOM 1338 CA LYS A 91 -7.757 6.174 -6.945 1.00 0.00 C ATOM 1339 C LYS A 91 -9.047 5.796 -6.303 1.00 0.00 C ATOM 1340 O LYS A 91 -9.945 5.222 -6.917 1.00 0.00 O ATOM 1341 CB LYS A 91 -7.877 7.485 -7.739 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.361 8.679 -6.913 1.00 0.00 C ATOM 1343 CD LYS A 91 -8.292 10.017 -7.653 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.859 10.481 -7.922 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.832 11.886 -8.385 1.00 0.00 N ATOM 0 H LYS A 91 -7.339 5.327 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.055 6.323 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.905 7.726 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.564 7.331 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.390 8.500 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.762 8.746 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.823 9.929 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.810 10.777 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.265 10.383 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.400 9.838 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.848 12.175 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.380 11.972 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.249 12.500 -7.656 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.154 6.062 -4.988 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.309 5.813 -4.183 1.00 0.00 C ATOM 1361 C GLY A 92 -11.356 6.873 -4.236 1.00 0.00 C ATOM 1362 O GLY A 92 -11.271 7.871 -4.950 1.00 0.00 O ATOM 0 H GLY A 92 -8.388 6.475 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.754 4.868 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.992 5.689 -3.148 1.00 0.00 H new ATOM 1560 N GLN B 11 -3.626 -9.265 10.519 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.022 -8.154 11.187 1.00 0.00 C ATOM 1562 C GLN B 11 -2.943 -6.951 10.311 1.00 0.00 C ATOM 1563 O GLN B 11 -3.241 -7.009 9.119 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.609 -8.534 11.661 1.00 0.00 C ATOM 1565 CG GLN B 11 -1.589 -9.747 12.594 1.00 0.00 C ATOM 1566 CD GLN B 11 -0.188 -10.070 13.090 1.00 0.00 C ATOM 1567 OE1 GLN B 11 0.817 -9.884 12.405 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -0.093 -10.578 14.347 1.00 0.00 N ATOM 0 HA GLN B 11 -3.651 -7.906 12.042 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.986 -8.743 10.792 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.164 -7.682 12.175 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -2.240 -9.557 13.448 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -1.995 -10.612 12.070 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.936 -10.726 14.902 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.821 -10.811 14.735 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.547 -5.800 10.881 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.450 -4.545 10.202 1.00 0.00 C ATOM 1579 C VAL B 12 -1.069 -3.999 10.308 1.00 0.00 C ATOM 1580 O VAL B 12 -0.293 -4.375 11.185 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.432 -3.519 10.686 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -4.860 -3.981 10.345 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -3.295 -3.258 12.196 1.00 0.00 C ATOM 0 H VAL B 12 -2.281 -5.741 11.864 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.696 -4.752 9.161 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.219 -2.577 10.180 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.576 -3.238 10.695 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.957 -4.098 9.266 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.060 -4.935 10.832 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.025 -2.509 12.503 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.473 -4.184 12.743 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.290 -2.896 12.413 1.00 0.00 H new ATOM 1593 N SER B 13 -0.681 -3.096 9.390 1.00 0.00 N ATOM 1594 CA SER B 13 0.648 -2.584 9.271 1.00 0.00 C ATOM 1595 C SER B 13 0.706 -1.118 9.014 1.00 0.00 C ATOM 1596 O SER B 13 -0.151 -0.540 8.347 1.00 0.00 O ATOM 1597 CB SER B 13 1.385 -3.187 8.063 1.00 0.00 C ATOM 1598 OG SER B 13 1.492 -4.598 8.190 1.00 0.00 O ATOM 0 H SER B 13 -1.323 -2.706 8.700 1.00 0.00 H new ATOM 0 HA SER B 13 1.099 -2.840 10.229 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.852 -2.939 7.145 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.379 -2.748 7.982 1.00 0.00 H new ATOM 0 HG SER B 13 0.634 -5.013 7.961 1.00 0.00 H new ATOM 1604 N ALA B 14 1.784 -0.476 9.498 1.00 0.00 N ATOM 1605 CA ALA B 14 2.151 0.871 9.182 1.00 0.00 C ATOM 1606 C ALA B 14 3.535 0.946 8.635 1.00 0.00 C ATOM 1607 O ALA B 14 4.403 0.124 8.928 1.00 0.00 O ATOM 1608 CB ALA B 14 2.033 1.726 10.455 1.00 0.00 C ATOM 0 H ALA B 14 2.435 -0.921 10.145 1.00 0.00 H new ATOM 0 HA ALA B 14 1.478 1.249 8.412 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.310 2.756 10.229 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.006 1.698 10.818 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.700 1.331 11.222 1.00 0.00 H new ATOM 1614 N VAL B 15 3.782 1.945 7.769 1.00 0.00 N ATOM 1615 CA VAL B 15 5.054 2.480 7.393 1.00 0.00 C ATOM 1616 C VAL B 15 4.806 3.905 6.917 1.00 0.00 C ATOM 1617 O VAL B 15 3.674 4.190 6.441 1.00 0.00 O ATOM 1618 CB VAL B 15 5.852 1.655 6.427 1.00 0.00 C ATOM 1619 CG1 VAL B 15 5.209 1.553 5.033 1.00 0.00 C ATOM 1620 CG2 VAL B 15 7.278 2.219 6.313 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.697 4.783 7.064 1.00 0.00 O ATOM 0 H VAL B 15 3.019 2.421 7.288 1.00 0.00 H new ATOM 0 HA VAL B 15 5.708 2.465 8.265 1.00 0.00 H new ATOM 0 HB VAL B 15 5.879 0.642 6.828 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.839 0.943 4.386 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.224 1.094 5.119 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.108 2.550 4.605 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.853 1.616 5.610 1.00 0.00 H new ATOM 0 HG22 VAL B 15 7.235 3.248 5.957 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.759 2.193 7.291 1.00 0.00 H new