USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 38 LYS NZ :NH3+ 160:sc= 0.683 (180deg=0) USER MOD Set 1.2: A 39 TYR OH : rot 15:sc= 0.968 USER MOD Set 2.1: A 16 SER OG : rot -179:sc= 0.645 USER MOD Set 2.2: A 17 GLN : amide:sc= -1.67! C(o=-1.1!,f=-17!) USER MOD Set 2.3: A 18 SER OG : rot 180:sc= 0.447 USER MOD Set 2.4: A 32 ASN : amide:sc= -0.873 K(o=-1.1,f=-2.2) USER MOD Set 2.5: A 36 LYS NZ :NH3+ 142:sc= 0.365 (180deg=-0.578) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.709 F(o=-2.3,f=-0.71) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.169 (180deg=-0.982) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.136 K(o=-0.14,f=-8.2!) USER MOD Single : A 42 SER OG : rot 140:sc= 0.00439 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.101 (180deg=-0.612) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3!) USER MOD Single : A 55 THR OG1 : rot -63:sc= 0.16! USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 2.742 6.977 -2.430 1.00 0.00 N ATOM 71 CA ASN A 5 2.856 6.102 -3.582 1.00 0.00 C ATOM 72 C ASN A 5 2.637 4.638 -3.192 1.00 0.00 C ATOM 73 O ASN A 5 2.829 3.747 -4.012 1.00 0.00 O ATOM 74 CB ASN A 5 4.230 6.251 -4.268 1.00 0.00 C ATOM 75 CG ASN A 5 4.367 7.597 -4.985 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.377 8.447 -4.994 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 5.430 7.887 -5.556 1.00 0.00 N flip ATOM 0 HA ASN A 5 2.078 6.401 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.020 6.154 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.367 5.442 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.207 7.227 -5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.526 8.786 -6.029 1.00 0.00 H new ATOM 84 N LEU A 6 2.255 4.376 -1.942 1.00 0.00 N ATOM 85 CA LEU A 6 2.120 2.984 -1.491 1.00 0.00 C ATOM 86 C LEU A 6 1.124 2.225 -2.365 1.00 0.00 C ATOM 87 O LEU A 6 1.434 1.142 -2.881 1.00 0.00 O ATOM 88 CB LEU A 6 1.704 2.918 0.002 1.00 0.00 C ATOM 89 CG LEU A 6 1.956 1.510 0.618 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.736 0.601 0.418 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.190 0.852 0.000 1.00 0.00 C ATOM 0 H LEU A 6 2.038 5.083 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 6 3.094 2.505 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.261 3.665 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.648 3.170 0.095 1.00 0.00 H new ATOM 0 HG LEU A 6 2.128 1.646 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.935 -0.377 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.133 1.046 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.538 0.487 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.342 -0.130 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.044 0.741 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.065 1.475 0.185 1.00 0.00 H new ATOM 103 N LYS A 7 -0.012 2.837 -2.642 1.00 0.00 N ATOM 104 CA LYS A 7 -0.967 2.220 -3.560 1.00 0.00 C ATOM 105 C LYS A 7 -0.338 2.064 -4.938 1.00 0.00 C ATOM 106 O LYS A 7 -0.474 1.024 -5.594 1.00 0.00 O ATOM 107 CB LYS A 7 -2.264 3.034 -3.640 1.00 0.00 C ATOM 108 CG LYS A 7 -2.012 4.401 -4.310 1.00 0.00 C ATOM 109 CD LYS A 7 -3.341 5.154 -4.448 1.00 0.00 C ATOM 110 CE LYS A 7 -3.793 5.654 -3.075 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.982 6.531 -3.218 1.00 0.00 N ATOM 0 H LYS A 7 -0.297 3.738 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.223 1.232 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.013 2.479 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.667 3.184 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.310 4.986 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.558 4.259 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.225 5.995 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.100 4.498 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.031 4.807 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.983 6.202 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.281 6.866 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.742 7.347 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.757 5.996 -3.658 1.00 0.00 H new ATOM 125 N LEU A 8 0.398 3.080 -5.346 1.00 0.00 N ATOM 126 CA LEU A 8 1.091 3.052 -6.624 1.00 0.00 C ATOM 127 C LEU A 8 2.117 1.920 -6.620 1.00 0.00 C ATOM 128 O LEU A 8 2.251 1.178 -7.590 1.00 0.00 O ATOM 129 CB LEU A 8 1.785 4.396 -6.878 1.00 0.00 C ATOM 130 CG LEU A 8 0.727 5.506 -7.022 1.00 0.00 C ATOM 131 CD1 LEU A 8 1.412 6.876 -7.165 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.158 5.226 -8.243 1.00 0.00 C ATOM 0 H LEU A 8 0.533 3.938 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 8 0.369 2.880 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.461 4.629 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.391 4.338 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 8 0.103 5.520 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.654 7.653 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.019 7.074 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.049 6.874 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.904 6.014 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.459 5.198 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.659 4.266 -8.117 1.00 0.00 H new ATOM 144 N ILE A 9 2.797 1.762 -5.505 1.00 0.00 N ATOM 145 CA ILE A 9 3.737 0.679 -5.336 1.00 0.00 C ATOM 146 C ILE A 9 2.988 -0.663 -5.407 1.00 0.00 C ATOM 147 O ILE A 9 3.524 -1.653 -5.897 1.00 0.00 O ATOM 148 CB ILE A 9 4.504 0.832 -3.996 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.396 2.087 -4.047 1.00 0.00 C ATOM 150 CG2 ILE A 9 5.398 -0.391 -3.739 1.00 0.00 C ATOM 151 CD1 ILE A 9 6.432 1.946 -5.160 1.00 0.00 C ATOM 0 H ILE A 9 2.714 2.377 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 9 4.474 0.706 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 9 3.771 0.920 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.783 2.972 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.896 2.227 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.927 -0.263 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.782 -1.289 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.121 -0.490 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.058 2.838 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.054 1.071 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.924 1.828 -6.117 1.00 0.00 H new ATOM 163 N ARG A 10 1.822 -0.722 -4.759 1.00 0.00 N ATOM 164 CA ARG A 10 1.048 -1.976 -4.652 1.00 0.00 C ATOM 165 C ARG A 10 0.466 -2.494 -5.969 1.00 0.00 C ATOM 166 O ARG A 10 0.453 -3.709 -6.183 1.00 0.00 O ATOM 167 CB ARG A 10 0.001 -1.907 -3.534 1.00 0.00 C ATOM 168 CG ARG A 10 0.518 -2.663 -2.277 1.00 0.00 C ATOM 169 CD ARG A 10 1.830 -2.036 -1.763 1.00 0.00 C ATOM 170 NE ARG A 10 2.885 -2.165 -2.781 1.00 0.00 N ATOM 171 CZ ARG A 10 3.630 -3.270 -2.949 1.00 0.00 C ATOM 172 NH1 ARG A 10 3.559 -4.256 -2.102 1.00 0.00 N ATOM 173 NH2 ARG A 10 4.438 -3.352 -3.973 1.00 0.00 N ATOM 0 H ARG A 10 1.388 0.078 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 10 1.782 -2.732 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.208 -0.867 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.936 -2.347 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.237 -2.632 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.682 -3.713 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.671 -0.984 -1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.141 -2.528 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 10 3.061 -1.369 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.932 -4.195 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.130 -5.090 -2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.499 -2.580 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.007 -4.188 -4.108 1.00 0.00 H new ATOM 187 N GLU A 11 0.000 -1.611 -6.858 1.00 0.00 N ATOM 188 CA GLU A 11 -0.566 -2.089 -8.137 1.00 0.00 C ATOM 189 C GLU A 11 0.419 -3.021 -8.835 1.00 0.00 C ATOM 190 O GLU A 11 0.026 -3.947 -9.548 1.00 0.00 O ATOM 191 CB GLU A 11 -0.963 -0.935 -9.072 1.00 0.00 C ATOM 192 CG GLU A 11 0.194 0.060 -9.226 1.00 0.00 C ATOM 193 CD GLU A 11 -0.027 0.929 -10.448 1.00 0.00 C ATOM 194 OE1 GLU A 11 0.026 0.405 -11.537 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.249 2.111 -10.279 1.00 0.00 O ATOM 0 H GLU A 11 -0.001 -0.599 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.478 -2.637 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.241 -1.331 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.839 -0.423 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.269 0.684 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.137 -0.478 -9.318 1.00 0.00 H new ATOM 202 N LYS A 12 1.686 -2.858 -8.508 1.00 0.00 N ATOM 203 CA LYS A 12 2.728 -3.745 -8.999 1.00 0.00 C ATOM 204 C LYS A 12 2.435 -5.164 -8.549 1.00 0.00 C ATOM 205 O LYS A 12 2.621 -6.114 -9.300 1.00 0.00 O ATOM 206 CB LYS A 12 4.057 -3.323 -8.405 1.00 0.00 C ATOM 207 CG LYS A 12 4.459 -1.980 -8.985 1.00 0.00 C ATOM 208 CD LYS A 12 5.767 -1.544 -8.353 1.00 0.00 C ATOM 209 CE LYS A 12 6.184 -0.210 -8.936 1.00 0.00 C ATOM 210 NZ LYS A 12 7.457 0.222 -8.299 1.00 0.00 N ATOM 0 H LYS A 12 2.023 -2.113 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 12 2.763 -3.695 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.979 -3.255 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.820 -4.070 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.569 -2.054 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.683 -1.239 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.652 -1.462 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.539 -2.291 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.313 -0.295 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.406 0.535 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.750 1.138 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.317 0.317 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.195 -0.487 -8.483 1.00 0.00 H new ATOM 224 N LYS A 13 1.950 -5.287 -7.319 1.00 0.00 N ATOM 225 CA LYS A 13 1.574 -6.574 -6.736 1.00 0.00 C ATOM 226 C LYS A 13 0.105 -6.878 -7.050 1.00 0.00 C ATOM 227 O LYS A 13 -0.455 -7.857 -6.561 1.00 0.00 O ATOM 228 CB LYS A 13 1.823 -6.572 -5.208 1.00 0.00 C ATOM 229 CG LYS A 13 2.204 -7.991 -4.728 1.00 0.00 C ATOM 230 CD LYS A 13 3.736 -8.127 -4.571 1.00 0.00 C ATOM 231 CE LYS A 13 4.336 -8.860 -5.796 1.00 0.00 C ATOM 232 NZ LYS A 13 5.056 -7.889 -6.652 1.00 0.00 N ATOM 0 H LYS A 13 1.805 -4.495 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 13 2.193 -7.356 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.621 -5.871 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.928 -6.232 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.717 -8.200 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.840 -8.731 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.188 -7.140 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.968 -8.677 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.017 -9.644 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.544 -9.345 -6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.458 -8.383 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.394 -7.156 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.822 -7.446 -6.106 1.00 0.00 H new ATOM 246 N LYS A 14 -0.495 -6.014 -7.872 1.00 0.00 N ATOM 247 CA LYS A 14 -1.887 -6.127 -8.328 1.00 0.00 C ATOM 248 C LYS A 14 -2.881 -6.532 -7.240 1.00 0.00 C ATOM 249 O LYS A 14 -3.892 -7.182 -7.532 1.00 0.00 O ATOM 250 CB LYS A 14 -2.038 -7.013 -9.588 1.00 0.00 C ATOM 251 CG LYS A 14 -1.128 -8.252 -9.528 1.00 0.00 C ATOM 252 CD LYS A 14 0.241 -7.924 -10.155 1.00 0.00 C ATOM 253 CE LYS A 14 1.045 -9.209 -10.356 1.00 0.00 C ATOM 254 NZ LYS A 14 0.322 -10.087 -11.309 1.00 0.00 N ATOM 0 H LYS A 14 -0.017 -5.196 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.154 -5.108 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.076 -7.329 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.797 -6.427 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.998 -8.569 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.593 -9.082 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.101 -7.420 -11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.791 -7.238 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.039 -8.976 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.182 -9.720 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.004 -10.690 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.351 -10.685 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.195 -9.502 -11.996 1.00 0.00 H new ATOM 268 N ILE A 15 -2.690 -6.024 -6.036 1.00 0.00 N ATOM 269 CA ILE A 15 -3.673 -6.205 -4.975 1.00 0.00 C ATOM 270 C ILE A 15 -4.087 -4.861 -4.390 1.00 0.00 C ATOM 271 O ILE A 15 -3.241 -4.011 -4.105 1.00 0.00 O ATOM 272 CB ILE A 15 -3.167 -7.161 -3.887 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.842 -6.671 -3.303 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.973 -8.567 -4.464 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.474 -7.548 -2.106 1.00 0.00 C ATOM 0 H ILE A 15 -1.868 -5.484 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.556 -6.667 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.915 -7.190 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.058 -6.716 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.928 -5.629 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.614 -9.235 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.923 -8.937 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.244 -8.531 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.530 -7.207 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.257 -7.480 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.373 -8.583 -2.431 1.00 0.00 H new ATOM 287 N SER A 16 -5.389 -4.634 -4.322 1.00 0.00 N ATOM 288 CA SER A 16 -5.931 -3.358 -3.895 1.00 0.00 C ATOM 289 C SER A 16 -5.852 -3.196 -2.389 1.00 0.00 C ATOM 290 O SER A 16 -5.847 -4.175 -1.646 1.00 0.00 O ATOM 291 CB SER A 16 -7.380 -3.230 -4.353 1.00 0.00 C ATOM 292 OG SER A 16 -7.898 -1.952 -3.979 1.00 0.00 O ATOM 0 H SER A 16 -6.097 -5.328 -4.561 1.00 0.00 H new ATOM 0 HA SER A 16 -5.331 -2.570 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.441 -3.354 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.983 -4.021 -3.907 1.00 0.00 H new ATOM 0 HG SER A 16 -8.833 -1.882 -4.263 1.00 0.00 H new ATOM 298 N GLN A 17 -5.901 -1.958 -1.933 1.00 0.00 N ATOM 299 CA GLN A 17 -5.899 -1.686 -0.503 1.00 0.00 C ATOM 300 C GLN A 17 -6.999 -2.486 0.186 1.00 0.00 C ATOM 301 O GLN A 17 -6.775 -3.085 1.235 1.00 0.00 O ATOM 302 CB GLN A 17 -6.057 -0.177 -0.205 1.00 0.00 C ATOM 303 CG GLN A 17 -6.848 0.529 -1.327 1.00 0.00 C ATOM 304 CD GLN A 17 -8.332 0.199 -1.213 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.980 0.577 -0.236 1.00 0.00 O ATOM 306 NE2 GLN A 17 -8.909 -0.493 -2.138 1.00 0.00 N ATOM 0 H GLN A 17 -5.942 -1.129 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.932 -1.996 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.571 -0.043 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.074 0.282 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.702 1.607 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.472 0.214 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.375 -0.807 -2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.899 -0.725 -2.059 1.00 0.00 H new ATOM 315 N SER A 18 -8.152 -2.574 -0.454 1.00 0.00 N ATOM 316 CA SER A 18 -9.234 -3.395 0.061 1.00 0.00 C ATOM 317 C SER A 18 -8.768 -4.835 0.183 1.00 0.00 C ATOM 318 O SER A 18 -9.058 -5.512 1.173 1.00 0.00 O ATOM 319 CB SER A 18 -10.452 -3.318 -0.855 1.00 0.00 C ATOM 320 OG SER A 18 -10.808 -1.948 -1.030 1.00 0.00 O ATOM 0 H SER A 18 -8.363 -2.090 -1.327 1.00 0.00 H new ATOM 0 HA SER A 18 -9.519 -3.021 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.229 -3.776 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.285 -3.872 -0.423 1.00 0.00 H new ATOM 0 HG SER A 18 -11.589 -1.886 -1.619 1.00 0.00 H new ATOM 326 N GLU A 19 -7.984 -5.275 -0.792 1.00 0.00 N ATOM 327 CA GLU A 19 -7.424 -6.612 -0.752 1.00 0.00 C ATOM 328 C GLU A 19 -6.459 -6.705 0.414 1.00 0.00 C ATOM 329 O GLU A 19 -6.520 -7.648 1.211 1.00 0.00 O ATOM 330 CB GLU A 19 -6.695 -6.930 -2.066 1.00 0.00 C ATOM 331 CG GLU A 19 -7.717 -7.009 -3.204 1.00 0.00 C ATOM 332 CD GLU A 19 -7.016 -7.272 -4.513 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.522 -8.361 -4.684 1.00 0.00 O ATOM 334 OE2 GLU A 19 -6.969 -6.378 -5.326 1.00 0.00 O ATOM 0 H GLU A 19 -7.725 -4.728 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.228 -7.337 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.954 -6.160 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.157 -7.874 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.437 -7.802 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.279 -6.077 -3.264 1.00 0.00 H new ATOM 341 N LEU A 20 -5.646 -5.667 0.584 1.00 0.00 N ATOM 342 CA LEU A 20 -4.744 -5.599 1.727 1.00 0.00 C ATOM 343 C LEU A 20 -5.541 -5.589 3.011 1.00 0.00 C ATOM 344 O LEU A 20 -5.240 -6.322 3.946 1.00 0.00 O ATOM 345 CB LEU A 20 -3.884 -4.331 1.671 1.00 0.00 C ATOM 346 CG LEU A 20 -2.649 -4.542 0.784 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.068 -4.687 -0.675 1.00 0.00 C ATOM 348 CD2 LEU A 20 -1.725 -3.336 0.924 1.00 0.00 C ATOM 0 H LEU A 20 -5.593 -4.869 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.094 -6.473 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.477 -3.502 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.570 -4.055 2.678 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.133 -5.450 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.184 -4.836 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.733 -5.545 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.588 -3.784 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.845 -3.477 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.253 -2.435 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.417 -3.233 1.964 1.00 0.00 H new ATOM 360 N ALA A 21 -6.592 -4.795 3.034 1.00 0.00 N ATOM 361 CA ALA A 21 -7.453 -4.743 4.204 1.00 0.00 C ATOM 362 C ALA A 21 -8.149 -6.077 4.410 1.00 0.00 C ATOM 363 O ALA A 21 -8.353 -6.519 5.547 1.00 0.00 O ATOM 364 CB ALA A 21 -8.471 -3.610 4.093 1.00 0.00 C ATOM 0 H ALA A 21 -6.871 -4.183 2.267 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.828 -4.541 5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.100 -3.597 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.948 -2.658 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.093 -3.765 3.211 1.00 0.00 H new ATOM 370 N ALA A 22 -8.521 -6.712 3.308 1.00 0.00 N ATOM 371 CA ALA A 22 -9.199 -8.003 3.360 1.00 0.00 C ATOM 372 C ALA A 22 -8.327 -9.046 4.038 1.00 0.00 C ATOM 373 O ALA A 22 -8.834 -9.981 4.648 1.00 0.00 O ATOM 374 CB ALA A 22 -9.603 -8.480 1.961 1.00 0.00 C ATOM 0 H ALA A 22 -8.365 -6.355 2.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.107 -7.871 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.105 -9.444 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.278 -7.753 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.713 -8.582 1.340 1.00 0.00 H new ATOM 380 N LEU A 23 -7.014 -8.856 3.975 1.00 0.00 N ATOM 381 CA LEU A 23 -6.093 -9.765 4.640 1.00 0.00 C ATOM 382 C LEU A 23 -6.324 -9.726 6.140 1.00 0.00 C ATOM 383 O LEU A 23 -6.184 -10.741 6.832 1.00 0.00 O ATOM 384 CB LEU A 23 -4.627 -9.413 4.330 1.00 0.00 C ATOM 385 CG LEU A 23 -4.309 -9.684 2.848 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.903 -9.175 2.515 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.386 -11.187 2.561 1.00 0.00 C ATOM 0 H LEU A 23 -6.568 -8.087 3.474 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.284 -10.770 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.442 -8.364 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.964 -10.001 4.964 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.040 -9.161 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.685 -9.370 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.850 -8.103 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.172 -9.690 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.160 -11.369 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.664 -11.714 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.390 -11.549 2.784 1.00 0.00 H new ATOM 399 N LEU A 24 -6.589 -8.531 6.649 1.00 0.00 N ATOM 400 CA LEU A 24 -6.745 -8.329 8.081 1.00 0.00 C ATOM 401 C LEU A 24 -8.074 -8.893 8.571 1.00 0.00 C ATOM 402 O LEU A 24 -8.173 -9.357 9.704 1.00 0.00 O ATOM 403 CB LEU A 24 -6.672 -6.837 8.415 1.00 0.00 C ATOM 404 CG LEU A 24 -5.323 -6.256 7.966 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.278 -4.761 8.272 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.161 -6.970 8.669 1.00 0.00 C ATOM 0 H LEU A 24 -6.701 -7.686 6.089 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.934 -8.856 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.486 -6.307 7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.800 -6.691 9.488 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.220 -6.409 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.319 -4.353 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.084 -4.256 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.399 -4.605 9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.216 -6.542 8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.256 -6.844 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.185 -8.032 8.424 1.00 0.00 H new ATOM 418 N GLU A 25 -9.078 -8.887 7.704 1.00 0.00 N ATOM 419 CA GLU A 25 -10.402 -9.426 8.046 1.00 0.00 C ATOM 420 C GLU A 25 -10.955 -8.764 9.315 1.00 0.00 C ATOM 421 O GLU A 25 -11.649 -9.407 10.111 1.00 0.00 O ATOM 422 CB GLU A 25 -10.283 -10.931 8.274 1.00 0.00 C ATOM 423 CG GLU A 25 -9.899 -11.618 6.959 1.00 0.00 C ATOM 424 CD GLU A 25 -9.662 -13.092 7.180 1.00 0.00 C ATOM 425 OE1 GLU A 25 -9.625 -13.507 8.317 1.00 0.00 O ATOM 426 OE2 GLU A 25 -9.486 -13.786 6.215 1.00 0.00 O ATOM 0 H GLU A 25 -9.008 -8.516 6.756 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.086 -9.218 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.532 -11.136 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.228 -11.330 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.692 -11.478 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.000 -11.157 6.550 1.00 0.00 H new ATOM 433 N VAL A 26 -10.592 -7.509 9.538 1.00 0.00 N ATOM 434 CA VAL A 26 -10.998 -6.800 10.754 1.00 0.00 C ATOM 435 C VAL A 26 -11.469 -5.384 10.481 1.00 0.00 C ATOM 436 O VAL A 26 -11.314 -4.865 9.366 1.00 0.00 O ATOM 437 CB VAL A 26 -9.880 -6.814 11.814 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.904 -8.148 12.559 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.511 -6.640 11.148 1.00 0.00 C ATOM 0 H VAL A 26 -10.019 -6.958 8.899 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.854 -7.345 11.152 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.047 -5.992 12.510 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.114 -8.160 13.309 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.870 -8.275 13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.745 -8.962 11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.732 -6.652 11.910 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.343 -7.455 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.484 -5.689 10.616 1.00 0.00 H new ATOM 449 N SER A 27 -12.008 -4.750 11.519 1.00 0.00 N ATOM 450 CA SER A 27 -12.491 -3.370 11.444 1.00 0.00 C ATOM 451 C SER A 27 -11.499 -2.491 10.685 1.00 0.00 C ATOM 452 O SER A 27 -11.869 -1.465 10.094 1.00 0.00 O ATOM 453 CB SER A 27 -12.690 -2.820 12.853 1.00 0.00 C ATOM 454 OG SER A 27 -11.604 -3.250 13.681 1.00 0.00 O ATOM 0 H SER A 27 -12.123 -5.177 12.438 1.00 0.00 H new ATOM 0 HA SER A 27 -13.441 -3.363 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.736 -1.731 12.829 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.637 -3.170 13.263 1.00 0.00 H new ATOM 0 HG SER A 27 -11.725 -2.898 14.588 1.00 0.00 H new ATOM 460 N ARG A 28 -10.260 -2.958 10.622 1.00 0.00 N ATOM 461 CA ARG A 28 -9.211 -2.292 9.881 1.00 0.00 C ATOM 462 C ARG A 28 -9.697 -1.980 8.464 1.00 0.00 C ATOM 463 O ARG A 28 -9.321 -0.969 7.883 1.00 0.00 O ATOM 464 CB ARG A 28 -7.964 -3.190 9.829 1.00 0.00 C ATOM 465 CG ARG A 28 -7.148 -3.044 11.134 1.00 0.00 C ATOM 466 CD ARG A 28 -8.004 -3.446 12.356 1.00 0.00 C ATOM 467 NE ARG A 28 -7.163 -3.909 13.459 1.00 0.00 N ATOM 468 CZ ARG A 28 -6.448 -3.068 14.197 1.00 0.00 C ATOM 469 NH1 ARG A 28 -6.483 -1.791 13.938 1.00 0.00 N ATOM 470 NH2 ARG A 28 -5.725 -3.513 15.171 1.00 0.00 N ATOM 0 H ARG A 28 -9.958 -3.814 11.087 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.953 -1.357 10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.261 -4.230 9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.347 -2.919 8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.257 -3.670 11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.808 -2.014 11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.600 -2.594 12.682 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.702 -4.233 12.072 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.124 -4.907 13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.058 -1.442 13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.936 -1.141 14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.703 -4.512 15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.177 -2.865 15.736 1.00 0.00 H new ATOM 484 N GLN A 29 -10.607 -2.811 7.953 1.00 0.00 N ATOM 485 CA GLN A 29 -11.216 -2.571 6.643 1.00 0.00 C ATOM 486 C GLN A 29 -11.880 -1.198 6.631 1.00 0.00 C ATOM 487 O GLN A 29 -11.603 -0.365 5.765 1.00 0.00 O ATOM 488 CB GLN A 29 -12.283 -3.646 6.371 1.00 0.00 C ATOM 489 CG GLN A 29 -11.620 -4.966 5.939 1.00 0.00 C ATOM 490 CD GLN A 29 -11.585 -5.067 4.414 1.00 0.00 C ATOM 491 OE1 GLN A 29 -11.560 -6.170 3.863 1.00 0.00 O ATOM 492 NE2 GLN A 29 -11.591 -3.978 3.693 1.00 0.00 N ATOM 0 H GLN A 29 -10.938 -3.653 8.424 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.444 -2.612 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.881 -3.809 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.964 -3.302 5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.607 -5.019 6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.171 -5.810 6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.612 -3.065 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.575 -4.040 2.675 1.00 0.00 H new ATOM 501 N THR A 30 -12.663 -0.940 7.661 1.00 0.00 N ATOM 502 CA THR A 30 -13.306 0.341 7.845 1.00 0.00 C ATOM 503 C THR A 30 -12.251 1.433 8.012 1.00 0.00 C ATOM 504 O THR A 30 -12.346 2.505 7.404 1.00 0.00 O ATOM 505 CB THR A 30 -14.221 0.276 9.068 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.001 -0.919 8.995 1.00 0.00 O ATOM 507 CG2 THR A 30 -15.157 1.479 9.083 1.00 0.00 C ATOM 0 H THR A 30 -12.870 -1.618 8.395 1.00 0.00 H new ATOM 0 HA THR A 30 -13.908 0.581 6.969 1.00 0.00 H new ATOM 0 HB THR A 30 -13.616 0.281 9.975 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.591 -0.973 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.805 1.425 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.570 2.396 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.766 1.477 8.179 1.00 0.00 H new ATOM 515 N ILE A 31 -11.225 1.139 8.809 1.00 0.00 N ATOM 516 CA ILE A 31 -10.146 2.079 9.024 1.00 0.00 C ATOM 517 C ILE A 31 -9.448 2.340 7.700 1.00 0.00 C ATOM 518 O ILE A 31 -9.222 3.484 7.313 1.00 0.00 O ATOM 519 CB ILE A 31 -9.143 1.510 10.038 1.00 0.00 C ATOM 520 CG1 ILE A 31 -9.793 1.407 11.425 1.00 0.00 C ATOM 521 CG2 ILE A 31 -7.919 2.425 10.131 1.00 0.00 C ATOM 522 CD1 ILE A 31 -8.862 0.640 12.364 1.00 0.00 C ATOM 0 H ILE A 31 -11.126 0.257 9.312 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.549 3.011 9.419 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.838 0.518 9.704 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.989 2.403 11.822 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.754 0.898 11.352 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.212 2.015 10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.441 2.494 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.231 3.418 10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.321 0.565 13.350 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.689 -0.360 11.967 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.912 1.168 12.445 1.00 0.00 H new ATOM 534 N ASN A 32 -9.204 1.273 6.964 1.00 0.00 N ATOM 535 CA ASN A 32 -8.602 1.396 5.655 1.00 0.00 C ATOM 536 C ASN A 32 -9.481 2.239 4.781 1.00 0.00 C ATOM 537 O ASN A 32 -9.003 3.124 4.080 1.00 0.00 O ATOM 538 CB ASN A 32 -8.431 0.026 5.011 1.00 0.00 C ATOM 539 CG ASN A 32 -7.848 0.192 3.620 1.00 0.00 C ATOM 540 OD1 ASN A 32 -6.746 0.717 3.461 1.00 0.00 O ATOM 541 ND2 ASN A 32 -8.532 -0.208 2.598 1.00 0.00 N ATOM 0 H ASN A 32 -9.413 0.317 7.250 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.622 1.860 5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.775 -0.595 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.392 -0.485 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.159 -0.089 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.445 -0.643 2.734 1.00 0.00 H new ATOM 548 N GLY A 33 -10.780 2.015 4.880 1.00 0.00 N ATOM 549 CA GLY A 33 -11.725 2.787 4.118 1.00 0.00 C ATOM 550 C GLY A 33 -11.487 4.277 4.333 1.00 0.00 C ATOM 551 O GLY A 33 -11.266 5.023 3.372 1.00 0.00 O ATOM 0 H GLY A 33 -11.196 1.304 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.632 2.546 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.741 2.527 4.416 1.00 0.00 H new ATOM 555 N ILE A 34 -11.487 4.712 5.582 1.00 0.00 N ATOM 556 CA ILE A 34 -11.207 6.113 5.863 1.00 0.00 C ATOM 557 C ILE A 34 -9.729 6.471 5.628 1.00 0.00 C ATOM 558 O ILE A 34 -9.416 7.543 5.084 1.00 0.00 O ATOM 559 CB ILE A 34 -11.687 6.518 7.274 1.00 0.00 C ATOM 560 CG1 ILE A 34 -11.547 8.035 7.455 1.00 0.00 C ATOM 561 CG2 ILE A 34 -10.872 5.799 8.341 1.00 0.00 C ATOM 562 CD1 ILE A 34 -12.399 8.761 6.413 1.00 0.00 C ATOM 0 H ILE A 34 -11.673 4.133 6.401 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.783 6.701 5.148 1.00 0.00 H new ATOM 0 HB ILE A 34 -12.734 6.234 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.861 8.321 8.459 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.502 8.328 7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.224 6.096 9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.988 4.722 8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.820 6.064 8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.296 9.838 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.064 8.485 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.444 8.478 6.537 1.00 0.00 H new ATOM 574 N GLU A 35 -8.829 5.589 6.053 1.00 0.00 N ATOM 575 CA GLU A 35 -7.399 5.847 5.940 1.00 0.00 C ATOM 576 C GLU A 35 -6.938 5.920 4.505 1.00 0.00 C ATOM 577 O GLU A 35 -6.237 6.861 4.134 1.00 0.00 O ATOM 578 CB GLU A 35 -6.600 4.796 6.710 1.00 0.00 C ATOM 579 CG GLU A 35 -6.777 5.029 8.213 1.00 0.00 C ATOM 580 CD GLU A 35 -6.131 6.344 8.604 1.00 0.00 C ATOM 581 OE1 GLU A 35 -4.958 6.513 8.323 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.810 7.173 9.165 1.00 0.00 O ATOM 0 H GLU A 35 -9.065 4.692 6.478 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.216 6.826 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.940 3.796 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.545 4.856 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.837 5.044 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.326 4.210 8.774 1.00 0.00 H new ATOM 589 N LYS A 36 -7.362 4.968 3.687 1.00 0.00 N ATOM 590 CA LYS A 36 -6.981 4.979 2.291 1.00 0.00 C ATOM 591 C LYS A 36 -7.727 6.065 1.534 1.00 0.00 C ATOM 592 O LYS A 36 -7.270 6.528 0.483 1.00 0.00 O ATOM 593 CB LYS A 36 -7.134 3.578 1.644 1.00 0.00 C ATOM 594 CG LYS A 36 -8.276 3.544 0.615 1.00 0.00 C ATOM 595 CD LYS A 36 -9.603 3.265 1.323 1.00 0.00 C ATOM 596 CE LYS A 36 -10.747 3.342 0.315 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.525 2.349 -0.766 1.00 0.00 N ATOM 0 H LYS A 36 -7.961 4.191 3.964 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.920 5.223 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.199 3.298 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.323 2.838 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.329 4.495 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.082 2.774 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.579 2.279 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.760 3.989 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.697 3.147 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.807 4.346 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.435 1.929 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.096 2.820 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.888 1.601 -0.425 1.00 0.00 H new ATOM 611 N ASN A 37 -8.893 6.454 2.045 1.00 0.00 N ATOM 612 CA ASN A 37 -9.666 7.510 1.403 1.00 0.00 C ATOM 613 C ASN A 37 -8.940 8.837 1.477 1.00 0.00 C ATOM 614 O ASN A 37 -8.744 9.505 0.460 1.00 0.00 O ATOM 615 CB ASN A 37 -11.017 7.671 2.094 1.00 0.00 C ATOM 616 CG ASN A 37 -11.689 8.959 1.614 1.00 0.00 C ATOM 617 OD1 ASN A 37 -11.876 9.159 0.413 1.00 0.00 O ATOM 618 ND2 ASN A 37 -12.032 9.862 2.486 1.00 0.00 N ATOM 0 H ASN A 37 -9.316 6.061 2.886 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.804 7.225 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.653 6.814 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.883 7.700 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.456 10.736 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.877 9.696 3.480 1.00 0.00 H new ATOM 625 N LYS A 38 -8.559 9.230 2.689 1.00 0.00 N ATOM 626 CA LYS A 38 -7.882 10.505 2.880 1.00 0.00 C ATOM 627 C LYS A 38 -6.405 10.395 2.562 1.00 0.00 C ATOM 628 O LYS A 38 -5.830 11.253 1.889 1.00 0.00 O ATOM 629 CB LYS A 38 -8.051 10.983 4.322 1.00 0.00 C ATOM 630 CG LYS A 38 -9.519 11.351 4.576 1.00 0.00 C ATOM 631 CD LYS A 38 -9.649 12.007 5.952 1.00 0.00 C ATOM 632 CE LYS A 38 -9.482 10.951 7.059 1.00 0.00 C ATOM 633 NZ LYS A 38 -9.000 11.602 8.300 1.00 0.00 N ATOM 0 H LYS A 38 -8.706 8.691 3.542 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.335 11.225 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.737 10.201 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.412 11.847 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.874 12.031 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.143 10.458 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.895 12.786 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.622 12.490 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.433 10.451 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.775 10.185 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.205 10.990 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.974 11.759 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.482 12.515 8.423 1.00 0.00 H new ATOM 647 N TYR A 39 -5.790 9.369 3.104 1.00 0.00 N ATOM 648 CA TYR A 39 -4.368 9.148 2.973 1.00 0.00 C ATOM 649 C TYR A 39 -4.130 7.870 2.185 1.00 0.00 C ATOM 650 O TYR A 39 -5.078 7.215 1.756 1.00 0.00 O ATOM 651 CB TYR A 39 -3.748 9.014 4.378 1.00 0.00 C ATOM 652 CG TYR A 39 -4.521 9.886 5.367 1.00 0.00 C ATOM 653 CD1 TYR A 39 -4.372 11.281 5.358 1.00 0.00 C ATOM 654 CD2 TYR A 39 -5.394 9.283 6.289 1.00 0.00 C ATOM 655 CE1 TYR A 39 -5.094 12.066 6.271 1.00 0.00 C ATOM 656 CE2 TYR A 39 -6.110 10.071 7.192 1.00 0.00 C ATOM 657 CZ TYR A 39 -5.963 11.460 7.185 1.00 0.00 C ATOM 658 OH TYR A 39 -6.676 12.233 8.082 1.00 0.00 O ATOM 0 H TYR A 39 -6.269 8.656 3.655 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.908 9.986 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.773 7.973 4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.701 9.315 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.704 11.750 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.511 8.209 6.299 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.978 13.140 6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.780 9.605 7.899 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.649 13.171 7.799 1.00 0.00 H new ATOM 668 N ASN A 40 -2.885 7.457 2.098 1.00 0.00 N ATOM 669 CA ASN A 40 -2.567 6.154 1.536 1.00 0.00 C ATOM 670 C ASN A 40 -2.864 5.112 2.595 1.00 0.00 C ATOM 671 O ASN A 40 -3.209 5.467 3.725 1.00 0.00 O ATOM 672 CB ASN A 40 -1.093 6.078 1.120 1.00 0.00 C ATOM 673 CG ASN A 40 -0.989 6.049 -0.400 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.598 5.028 -0.990 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.338 7.093 -1.077 1.00 0.00 N ATOM 0 H ASN A 40 -2.077 7.998 2.406 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.167 5.980 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.549 6.936 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.631 5.186 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.292 7.079 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.659 7.931 -0.592 1.00 0.00 H new ATOM 682 N PRO A 41 -2.772 3.852 2.283 1.00 0.00 N ATOM 683 CA PRO A 41 -3.074 2.805 3.313 1.00 0.00 C ATOM 684 C PRO A 41 -2.149 2.962 4.518 1.00 0.00 C ATOM 685 O PRO A 41 -0.996 3.381 4.376 1.00 0.00 O ATOM 686 CB PRO A 41 -2.811 1.482 2.582 1.00 0.00 C ATOM 687 CG PRO A 41 -2.949 1.822 1.137 1.00 0.00 C ATOM 688 CD PRO A 41 -2.405 3.237 0.993 1.00 0.00 C ATOM 0 HA PRO A 41 -4.090 2.869 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.817 1.095 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.526 0.715 2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.390 1.123 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.991 1.769 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.327 3.243 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.856 3.761 0.150 1.00 0.00 H new ATOM 696 N SER A 42 -2.682 2.722 5.700 1.00 0.00 N ATOM 697 CA SER A 42 -1.918 2.939 6.917 1.00 0.00 C ATOM 698 C SER A 42 -0.691 2.029 6.968 1.00 0.00 C ATOM 699 O SER A 42 -0.785 0.819 6.721 1.00 0.00 O ATOM 700 CB SER A 42 -2.803 2.701 8.139 1.00 0.00 C ATOM 701 OG SER A 42 -4.069 3.335 7.938 1.00 0.00 O ATOM 0 H SER A 42 -3.632 2.380 5.845 1.00 0.00 H new ATOM 0 HA SER A 42 -1.571 3.972 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.941 1.632 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.322 3.098 9.033 1.00 0.00 H new ATOM 0 HG SER A 42 -4.783 2.755 8.277 1.00 0.00 H new ATOM 707 N LEU A 43 0.444 2.599 7.359 1.00 0.00 N ATOM 708 CA LEU A 43 1.683 1.832 7.481 1.00 0.00 C ATOM 709 C LEU A 43 1.552 0.767 8.543 1.00 0.00 C ATOM 710 O LEU A 43 1.988 -0.371 8.357 1.00 0.00 O ATOM 711 CB LEU A 43 2.882 2.745 7.773 1.00 0.00 C ATOM 712 CG LEU A 43 3.170 3.628 6.545 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.294 4.610 6.862 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.568 2.753 5.349 1.00 0.00 C ATOM 0 H LEU A 43 0.534 3.587 7.597 1.00 0.00 H new ATOM 0 HA LEU A 43 1.864 1.343 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.673 3.369 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.759 2.144 8.015 1.00 0.00 H new ATOM 0 HG LEU A 43 2.268 4.186 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.492 5.231 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.998 5.244 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.196 4.058 7.126 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.770 3.387 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.463 2.183 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.754 2.067 5.113 1.00 0.00 H new ATOM 726 N GLN A 44 0.900 1.124 9.634 1.00 0.00 N ATOM 727 CA GLN A 44 0.689 0.183 10.723 1.00 0.00 C ATOM 728 C GLN A 44 0.040 -1.071 10.164 1.00 0.00 C ATOM 729 O GLN A 44 0.514 -2.197 10.389 1.00 0.00 O ATOM 730 CB GLN A 44 -0.282 0.809 11.737 1.00 0.00 C ATOM 731 CG GLN A 44 0.360 2.005 12.451 1.00 0.00 C ATOM 732 CD GLN A 44 -0.672 2.677 13.356 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.819 2.214 13.452 1.00 0.00 O ATOM 734 NE2 GLN A 44 -0.339 3.727 14.035 1.00 0.00 N ATOM 0 H GLN A 44 0.509 2.053 9.791 1.00 0.00 H new ATOM 0 HA GLN A 44 1.640 -0.055 11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.189 1.131 11.225 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.579 0.060 12.471 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.214 1.673 13.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.736 2.719 11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.604 4.108 13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.020 4.174 14.649 1.00 0.00 H new ATOM 743 N LEU A 45 -0.990 -0.863 9.370 1.00 0.00 N ATOM 744 CA LEU A 45 -1.662 -1.956 8.700 1.00 0.00 C ATOM 745 C LEU A 45 -0.720 -2.589 7.687 1.00 0.00 C ATOM 746 O LEU A 45 -0.656 -3.812 7.553 1.00 0.00 O ATOM 747 CB LEU A 45 -2.897 -1.442 7.969 1.00 0.00 C ATOM 748 CG LEU A 45 -3.929 -0.890 8.971 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.095 -0.258 8.215 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.465 -2.007 9.863 1.00 0.00 C ATOM 0 H LEU A 45 -1.381 0.058 9.173 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.960 -2.694 9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.611 -0.660 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.343 -2.248 7.386 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.436 -0.142 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.822 0.131 8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.726 0.557 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.570 -1.010 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.192 -1.596 10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.945 -2.767 9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.641 -2.457 10.417 1.00 0.00 H new ATOM 762 N ALA A 46 -0.002 -1.730 6.956 1.00 0.00 N ATOM 763 CA ALA A 46 0.890 -2.184 5.903 1.00 0.00 C ATOM 764 C ALA A 46 1.924 -3.135 6.452 1.00 0.00 C ATOM 765 O ALA A 46 2.236 -4.130 5.830 1.00 0.00 O ATOM 766 CB ALA A 46 1.594 -0.999 5.238 1.00 0.00 C ATOM 0 H ALA A 46 -0.026 -0.718 7.080 1.00 0.00 H new ATOM 0 HA ALA A 46 0.286 -2.703 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.257 -1.363 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.850 -0.331 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.177 -0.458 5.983 1.00 0.00 H new ATOM 772 N LEU A 47 2.463 -2.816 7.607 1.00 0.00 N ATOM 773 CA LEU A 47 3.483 -3.662 8.210 1.00 0.00 C ATOM 774 C LEU A 47 2.931 -5.049 8.537 1.00 0.00 C ATOM 775 O LEU A 47 3.576 -6.058 8.256 1.00 0.00 O ATOM 776 CB LEU A 47 4.079 -3.000 9.447 1.00 0.00 C ATOM 777 CG LEU A 47 4.911 -1.775 9.025 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.306 -0.976 10.259 1.00 0.00 C ATOM 779 CD2 LEU A 47 6.185 -2.224 8.294 1.00 0.00 C ATOM 0 H LEU A 47 2.219 -1.986 8.148 1.00 0.00 H new ATOM 0 HA LEU A 47 4.283 -3.791 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.284 -2.696 10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.706 -3.710 9.986 1.00 0.00 H new ATOM 0 HG LEU A 47 4.310 -1.158 8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.895 -0.109 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.408 -0.642 10.779 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.898 -1.604 10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.764 -1.348 8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.783 -2.850 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.913 -2.793 7.405 1.00 0.00 H new ATOM 791 N LYS A 48 1.704 -5.108 9.064 1.00 0.00 N ATOM 792 CA LYS A 48 1.068 -6.407 9.332 1.00 0.00 C ATOM 793 C LYS A 48 0.879 -7.123 8.007 1.00 0.00 C ATOM 794 O LYS A 48 1.193 -8.305 7.857 1.00 0.00 O ATOM 795 CB LYS A 48 -0.326 -6.190 9.957 1.00 0.00 C ATOM 796 CG LYS A 48 -0.205 -5.593 11.365 1.00 0.00 C ATOM 797 CD LYS A 48 -1.612 -5.345 11.932 1.00 0.00 C ATOM 798 CE LYS A 48 -1.519 -4.859 13.390 1.00 0.00 C ATOM 799 NZ LYS A 48 -0.498 -3.777 13.510 1.00 0.00 N ATOM 0 H LYS A 48 1.140 -4.294 9.310 1.00 0.00 H new ATOM 0 HA LYS A 48 1.692 -6.985 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.914 -5.525 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.860 -7.139 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.347 -6.272 12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.356 -4.659 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.131 -4.602 11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.199 -6.262 11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.490 -4.491 13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.255 -5.692 14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.766 -3.131 14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.430 -4.197 13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.446 -3.248 12.616 1.00 0.00 H new ATOM 813 N ILE A 49 0.401 -6.365 7.044 1.00 0.00 N ATOM 814 CA ILE A 49 0.180 -6.827 5.689 1.00 0.00 C ATOM 815 C ILE A 49 1.506 -7.199 5.015 1.00 0.00 C ATOM 816 O ILE A 49 1.569 -8.126 4.206 1.00 0.00 O ATOM 817 CB ILE A 49 -0.575 -5.746 4.902 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.985 -5.613 5.492 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.685 -6.130 3.421 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.671 -4.368 4.945 1.00 0.00 C ATOM 0 H ILE A 49 0.149 -5.387 7.184 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.429 -7.731 5.708 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.033 -4.803 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.574 -6.498 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.928 -5.557 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.223 -5.350 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.314 -6.240 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.224 -7.073 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.671 -4.286 5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.089 -3.485 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.745 -4.440 3.860 1.00 0.00 H new ATOM 832 N ALA A 50 2.504 -6.360 5.232 1.00 0.00 N ATOM 833 CA ALA A 50 3.792 -6.443 4.553 1.00 0.00 C ATOM 834 C ALA A 50 4.272 -7.882 4.411 1.00 0.00 C ATOM 835 O ALA A 50 4.967 -8.213 3.452 1.00 0.00 O ATOM 836 CB ALA A 50 4.845 -5.616 5.308 1.00 0.00 C ATOM 0 H ALA A 50 2.444 -5.588 5.896 1.00 0.00 H new ATOM 0 HA ALA A 50 3.656 -6.037 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.802 -5.686 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.529 -4.573 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.951 -6.001 6.322 1.00 0.00 H new ATOM 842 N TYR A 51 3.873 -8.738 5.334 1.00 0.00 N ATOM 843 CA TYR A 51 4.228 -10.150 5.244 1.00 0.00 C ATOM 844 C TYR A 51 3.659 -10.747 3.952 1.00 0.00 C ATOM 845 O TYR A 51 4.329 -11.525 3.256 1.00 0.00 O ATOM 846 CB TYR A 51 3.696 -10.943 6.452 1.00 0.00 C ATOM 847 CG TYR A 51 4.019 -12.413 6.249 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.315 -12.883 6.499 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.032 -13.296 5.796 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.616 -14.231 6.300 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.341 -14.644 5.597 1.00 0.00 C ATOM 852 CZ TYR A 51 4.630 -15.110 5.847 1.00 0.00 C ATOM 853 OH TYR A 51 4.930 -16.439 5.642 1.00 0.00 O ATOM 0 H TYR A 51 3.310 -8.489 6.147 1.00 0.00 H new ATOM 0 HA TYR A 51 5.316 -10.222 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.152 -10.580 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.620 -10.803 6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.080 -12.203 6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.033 -12.936 5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.614 -14.595 6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.579 -15.326 5.249 1.00 0.00 H new ATOM 0 HH TYR A 51 4.130 -16.910 5.328 1.00 0.00 H new ATOM 863 N TYR A 52 2.408 -10.416 3.672 1.00 0.00 N ATOM 864 CA TYR A 52 1.724 -10.920 2.494 1.00 0.00 C ATOM 865 C TYR A 52 2.360 -10.348 1.247 1.00 0.00 C ATOM 866 O TYR A 52 2.529 -11.040 0.237 1.00 0.00 O ATOM 867 CB TYR A 52 0.254 -10.499 2.528 1.00 0.00 C ATOM 868 CG TYR A 52 -0.442 -11.113 3.709 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.987 -12.394 3.626 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.563 -10.378 4.884 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.649 -12.941 4.732 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.218 -10.914 5.986 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.766 -12.196 5.913 1.00 0.00 C ATOM 874 OH TYR A 52 -2.424 -12.724 7.005 1.00 0.00 O ATOM 0 H TYR A 52 1.843 -9.795 4.251 1.00 0.00 H new ATOM 0 HA TYR A 52 1.800 -12.007 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.182 -9.413 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.240 -10.807 1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.899 -12.962 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.145 -9.384 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.068 -13.935 4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.303 -10.340 6.897 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.412 -12.075 7.739 1.00 0.00 H new ATOM 884 N LEU A 53 2.661 -9.062 1.308 1.00 0.00 N ATOM 885 CA LEU A 53 3.227 -8.357 0.173 1.00 0.00 C ATOM 886 C LEU A 53 4.664 -8.748 -0.048 1.00 0.00 C ATOM 887 O LEU A 53 5.519 -8.468 0.792 1.00 0.00 O ATOM 888 CB LEU A 53 3.178 -6.838 0.409 1.00 0.00 C ATOM 889 CG LEU A 53 1.749 -6.317 0.258 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.673 -4.867 0.744 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.355 -6.362 -1.221 1.00 0.00 C ATOM 0 H LEU A 53 2.522 -8.483 2.136 1.00 0.00 H new ATOM 0 HA LEU A 53 2.636 -8.626 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.552 -6.607 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.832 -6.333 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 53 1.074 -6.937 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.653 -4.500 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.965 -4.819 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.347 -4.249 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.336 -5.992 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.036 -5.737 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.411 -7.389 -1.581 1.00 0.00 H new ATOM 903 N ASN A 54 4.975 -9.123 -1.265 1.00 0.00 N ATOM 904 CA ASN A 54 6.364 -9.262 -1.645 1.00 0.00 C ATOM 905 C ASN A 54 6.854 -7.915 -2.106 1.00 0.00 C ATOM 906 O ASN A 54 6.838 -7.610 -3.306 1.00 0.00 O ATOM 907 CB ASN A 54 6.546 -10.290 -2.762 1.00 0.00 C ATOM 908 CG ASN A 54 8.034 -10.415 -3.116 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.667 -9.429 -3.520 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.632 -11.556 -2.995 1.00 0.00 N ATOM 0 H ASN A 54 4.300 -9.335 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 54 6.936 -9.615 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.156 -11.257 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.977 -9.989 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.620 -11.641 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.115 -12.370 -2.663 1.00 0.00 H new ATOM 917 N THR A 55 7.116 -7.046 -1.150 1.00 0.00 N ATOM 918 CA THR A 55 7.554 -5.692 -1.444 1.00 0.00 C ATOM 919 C THR A 55 8.067 -5.009 -0.183 1.00 0.00 C ATOM 920 O THR A 55 7.303 -4.800 0.770 1.00 0.00 O ATOM 921 CB THR A 55 6.430 -4.844 -2.071 1.00 0.00 C ATOM 922 OG1 THR A 55 5.438 -5.677 -2.693 1.00 0.00 O ATOM 923 CG2 THR A 55 7.033 -3.897 -3.107 1.00 0.00 C ATOM 0 H THR A 55 7.033 -7.254 -0.155 1.00 0.00 H new ATOM 0 HA THR A 55 8.363 -5.770 -2.171 1.00 0.00 H new ATOM 0 HB THR A 55 5.944 -4.272 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.847 -6.180 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.242 -3.295 -3.554 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.758 -3.242 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.530 -4.477 -3.884 1.00 0.00 H new ATOM 931 N PRO A 56 9.303 -4.598 -0.166 1.00 0.00 N ATOM 932 CA PRO A 56 9.816 -3.847 1.008 1.00 0.00 C ATOM 933 C PRO A 56 9.157 -2.476 1.112 1.00 0.00 C ATOM 934 O PRO A 56 9.124 -1.719 0.131 1.00 0.00 O ATOM 935 CB PRO A 56 11.313 -3.690 0.712 1.00 0.00 C ATOM 936 CG PRO A 56 11.405 -3.709 -0.778 1.00 0.00 C ATOM 937 CD PRO A 56 10.307 -4.661 -1.253 1.00 0.00 C ATOM 0 HA PRO A 56 9.612 -4.357 1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.703 -2.758 1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.892 -4.500 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 56 11.262 -2.710 -1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.387 -4.051 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.886 -4.344 -2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.686 -5.674 -1.392 1.00 0.00 H new ATOM 945 N LEU A 57 8.812 -2.088 2.328 1.00 0.00 N ATOM 946 CA LEU A 57 8.362 -0.733 2.603 1.00 0.00 C ATOM 947 C LEU A 57 9.567 0.059 3.099 1.00 0.00 C ATOM 948 O LEU A 57 9.484 1.249 3.391 1.00 0.00 O ATOM 949 CB LEU A 57 7.261 -0.726 3.679 1.00 0.00 C ATOM 950 CG LEU A 57 6.079 -1.614 3.254 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.027 -1.642 4.365 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.444 -1.086 1.971 1.00 0.00 C ATOM 0 H LEU A 57 8.835 -2.697 3.146 1.00 0.00 H new ATOM 0 HA LEU A 57 7.945 -0.291 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.668 -1.082 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.915 0.294 3.845 1.00 0.00 H new ATOM 0 HG LEU A 57 6.452 -2.622 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.192 -2.272 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.470 -2.044 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.668 -0.630 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.610 -1.728 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.082 -0.071 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.186 -1.081 1.173 1.00 0.00 H new ATOM 964 N GLU A 58 10.681 -0.646 3.233 1.00 0.00 N ATOM 965 CA GLU A 58 11.918 -0.084 3.743 1.00 0.00 C ATOM 966 C GLU A 58 12.331 1.085 2.862 1.00 0.00 C ATOM 967 O GLU A 58 12.785 2.119 3.348 1.00 0.00 O ATOM 968 CB GLU A 58 13.014 -1.152 3.667 1.00 0.00 C ATOM 969 CG GLU A 58 12.535 -2.473 4.317 1.00 0.00 C ATOM 970 CD GLU A 58 12.310 -2.306 5.799 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.851 -1.387 6.362 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.595 -3.102 6.356 1.00 0.00 O ATOM 0 H GLU A 58 10.750 -1.634 2.988 1.00 0.00 H new ATOM 0 HA GLU A 58 11.777 0.247 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.284 -1.330 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.912 -0.796 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.610 -2.800 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.275 -3.254 4.145 1.00 0.00 H new ATOM 979 N ASP A 59 12.163 0.896 1.553 1.00 0.00 N ATOM 980 CA ASP A 59 12.515 1.908 0.569 1.00 0.00 C ATOM 981 C ASP A 59 11.691 3.163 0.757 1.00 0.00 C ATOM 982 O ASP A 59 12.208 4.274 0.642 1.00 0.00 O ATOM 983 CB ASP A 59 12.309 1.356 -0.854 1.00 0.00 C ATOM 984 CG ASP A 59 13.529 0.571 -1.323 1.00 0.00 C ATOM 985 OD1 ASP A 59 14.532 0.594 -0.645 1.00 0.00 O ATOM 986 OD2 ASP A 59 13.441 -0.058 -2.354 1.00 0.00 O ATOM 0 H ASP A 59 11.781 0.040 1.151 1.00 0.00 H new ATOM 0 HA ASP A 59 13.565 2.164 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.430 0.712 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.117 2.179 -1.542 1.00 0.00 H new ATOM 991 N ILE A 60 10.406 2.983 1.030 1.00 0.00 N ATOM 992 CA ILE A 60 9.521 4.121 1.252 1.00 0.00 C ATOM 993 C ILE A 60 9.604 4.606 2.691 1.00 0.00 C ATOM 994 O ILE A 60 9.241 5.745 2.985 1.00 0.00 O ATOM 995 CB ILE A 60 8.067 3.772 0.895 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.564 2.619 1.773 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.969 3.359 -0.574 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.069 2.411 1.540 1.00 0.00 C ATOM 0 H ILE A 60 9.956 2.071 1.103 1.00 0.00 H new ATOM 0 HA ILE A 60 9.853 4.925 0.596 1.00 0.00 H new ATOM 0 HB ILE A 60 7.452 4.655 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.109 1.705 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.751 2.840 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.935 3.114 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.304 4.181 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.599 2.487 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.714 1.591 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.530 3.323 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.894 2.170 0.491 1.00 0.00 H new