USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 503 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+ -139:sc= 0.827! (180deg=-0.294) USER MOD Set 1.2: A 39 TYR OH : rot 151:sc= 0.854 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 161:sc= 1.38 (180deg=0.0513!) USER MOD Set 2.2: A 55 THR OG1 : rot 0:sc= 0.771 USER MOD Set 3.1: A 4 ASN : amide:sc= -1.81! C(o=-2.3!,f=-2.5!) USER MOD Set 3.2: A 40 ASN : amide:sc= -0.462 K(o=-2.3,f=-5.1) USER MOD Single : A 5 ASN : amide:sc= -1.81! C(o=-1.8!,f=-1.3!) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0197 (180deg=-0.792) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.187 (180deg=-0.818) USER MOD Single : A 14 LYS NZ :NH3+ 143:sc= 0.291! (180deg=-2.24!) USER MOD Single : A 16 SER OG : rot 94:sc= 1.21 USER MOD Single : A 17 GLN : amide:sc= -8! C(o=-8!,f=-14!) USER MOD Single : A 18 SER OG : rot 170:sc= -2.14! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 78:sc= -0.677! USER MOD Single : A 32 ASN : amide:sc= -3.28! C(o=-3.3!,f=-5.8!) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc=-0.00969 (180deg=-0.587) USER MOD Single : A 37 ASN : amide:sc= 0.374 K(o=0.37,f=-2!) USER MOD Single : A 42 SER OG : rot 180:sc= -1.32 USER MOD Single : A 44 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0234) 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= 0.0022 X(o=0.0022,f=0) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.764 -1.538 -6.202 1.00 0.00 N ATOM 57 CA ASN A 4 -1.325 -2.394 -5.174 1.00 0.00 C ATOM 58 C ASN A 4 -1.558 -3.775 -5.731 1.00 0.00 C ATOM 59 O ASN A 4 -2.231 -3.932 -6.752 1.00 0.00 O ATOM 60 CB ASN A 4 -2.632 -1.811 -4.608 1.00 0.00 C ATOM 61 CG ASN A 4 -3.095 -0.590 -5.411 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.177 -0.640 -6.648 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.380 0.512 -4.791 1.00 0.00 N ATOM 0 HA ASN A 4 -0.611 -2.455 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.410 -2.575 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.484 -1.528 -3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.671 1.334 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.314 0.557 -3.774 1.00 0.00 H new ATOM 70 N ASN A 5 -0.898 -4.751 -5.147 1.00 0.00 N ATOM 71 CA ASN A 5 -0.949 -6.116 -5.649 1.00 0.00 C ATOM 72 C ASN A 5 -0.715 -7.102 -4.525 1.00 0.00 C ATOM 73 O ASN A 5 0.066 -8.048 -4.664 1.00 0.00 O ATOM 74 CB ASN A 5 0.088 -6.337 -6.781 1.00 0.00 C ATOM 75 CG ASN A 5 1.156 -5.243 -6.782 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.635 -4.846 -7.848 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.572 -4.734 -5.660 1.00 0.00 N ATOM 0 H ASN A 5 -0.315 -4.628 -4.319 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.943 -6.283 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.562 -7.310 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.421 -6.351 -7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.291 -4.010 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.180 -5.058 -4.776 1.00 0.00 H new ATOM 84 N LEU A 6 -1.445 -6.935 -3.439 1.00 0.00 N ATOM 85 CA LEU A 6 -1.342 -7.869 -2.325 1.00 0.00 C ATOM 86 C LEU A 6 -1.764 -9.245 -2.768 1.00 0.00 C ATOM 87 O LEU A 6 -1.178 -10.253 -2.369 1.00 0.00 O ATOM 88 CB LEU A 6 -2.237 -7.428 -1.159 1.00 0.00 C ATOM 89 CG LEU A 6 -2.506 -8.641 -0.238 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.225 -8.302 1.201 1.00 0.00 C ATOM 91 CD2 LEU A 6 -3.957 -9.090 -0.388 1.00 0.00 C ATOM 0 H LEU A 6 -2.109 -6.173 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.304 -7.885 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.754 -6.629 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.178 -7.028 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.839 -9.450 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.423 -9.173 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.181 -8.008 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.868 -7.479 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.142 -9.945 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.622 -8.272 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.145 -9.375 -1.423 1.00 0.00 H new ATOM 103 N LYS A 7 -2.840 -9.287 -3.495 1.00 0.00 N ATOM 104 CA LYS A 7 -3.464 -10.524 -3.874 1.00 0.00 C ATOM 105 C LYS A 7 -2.453 -11.470 -4.478 1.00 0.00 C ATOM 106 O LYS A 7 -2.379 -12.628 -4.081 1.00 0.00 O ATOM 107 CB LYS A 7 -4.612 -10.235 -4.833 1.00 0.00 C ATOM 108 CG LYS A 7 -4.087 -9.441 -6.042 1.00 0.00 C ATOM 109 CD LYS A 7 -5.265 -8.791 -6.777 1.00 0.00 C ATOM 110 CE LYS A 7 -4.738 -7.761 -7.784 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.383 -8.438 -9.056 1.00 0.00 N ATOM 0 H LYS A 7 -3.316 -8.456 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.869 -11.015 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.064 -11.169 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.391 -9.668 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.384 -8.676 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.544 -10.102 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.850 -9.553 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.931 -8.308 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.494 -6.997 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.864 -7.253 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.718 -7.844 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.939 -9.355 -8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.243 -8.589 -9.621 1.00 0.00 H new ATOM 125 N LEU A 8 -1.593 -10.947 -5.331 1.00 0.00 N ATOM 126 CA LEU A 8 -0.522 -11.754 -5.887 1.00 0.00 C ATOM 127 C LEU A 8 0.387 -12.224 -4.768 1.00 0.00 C ATOM 128 O LEU A 8 0.811 -13.380 -4.739 1.00 0.00 O ATOM 129 CB LEU A 8 0.313 -10.941 -6.897 1.00 0.00 C ATOM 130 CG LEU A 8 -0.483 -10.625 -8.185 1.00 0.00 C ATOM 131 CD1 LEU A 8 -1.472 -11.746 -8.519 1.00 0.00 C ATOM 132 CD2 LEU A 8 -1.234 -9.295 -8.032 1.00 0.00 C ATOM 0 H LEU A 8 -1.613 -9.979 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.966 -12.606 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.637 -10.009 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.214 -11.498 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 8 0.230 -10.545 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.015 -11.493 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.928 -12.679 -8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.178 -11.866 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.790 -9.084 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.926 -9.363 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.519 -8.493 -7.849 1.00 0.00 H new ATOM 144 N ILE A 9 0.714 -11.314 -3.861 1.00 0.00 N ATOM 145 CA ILE A 9 1.585 -11.657 -2.755 1.00 0.00 C ATOM 146 C ILE A 9 0.879 -12.651 -1.838 1.00 0.00 C ATOM 147 O ILE A 9 1.446 -13.657 -1.429 1.00 0.00 O ATOM 148 CB ILE A 9 1.950 -10.410 -1.936 1.00 0.00 C ATOM 149 CG1 ILE A 9 2.481 -9.267 -2.832 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.047 -10.792 -0.954 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.190 -9.809 -4.061 1.00 0.00 C ATOM 0 H ILE A 9 0.392 -10.346 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 9 2.496 -12.095 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 9 1.052 -10.058 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.652 -8.629 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.168 -8.643 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.323 -9.921 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.686 -11.581 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.919 -11.148 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.551 -8.979 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.034 -10.426 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.495 -10.412 -4.646 1.00 0.00 H new ATOM 163 N ARG A 10 -0.356 -12.341 -1.508 1.00 0.00 N ATOM 164 CA ARG A 10 -1.154 -13.183 -0.637 1.00 0.00 C ATOM 165 C ARG A 10 -1.440 -14.523 -1.294 1.00 0.00 C ATOM 166 O ARG A 10 -1.275 -15.588 -0.678 1.00 0.00 O ATOM 167 CB ARG A 10 -2.457 -12.442 -0.253 1.00 0.00 C ATOM 168 CG ARG A 10 -3.637 -13.413 -0.163 1.00 0.00 C ATOM 169 CD ARG A 10 -4.511 -13.240 -1.405 1.00 0.00 C ATOM 170 NE ARG A 10 -5.462 -14.343 -1.528 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.395 -14.370 -2.488 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.615 -13.306 -3.218 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.121 -15.433 -2.653 1.00 0.00 N ATOM 0 H ARG A 10 -0.836 -11.502 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.595 -13.389 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.324 -11.937 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.672 -11.671 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.277 -14.440 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.218 -13.218 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.050 -12.294 -1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.882 -13.195 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.414 -15.115 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.076 -12.456 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.326 -13.327 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.980 -16.245 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.832 -15.456 -3.384 1.00 0.00 H new ATOM 187 N GLU A 11 -1.858 -14.475 -2.542 1.00 0.00 N ATOM 188 CA GLU A 11 -2.168 -15.688 -3.269 1.00 0.00 C ATOM 189 C GLU A 11 -0.905 -16.512 -3.503 1.00 0.00 C ATOM 190 O GLU A 11 -0.968 -17.724 -3.736 1.00 0.00 O ATOM 191 CB GLU A 11 -2.940 -15.393 -4.580 1.00 0.00 C ATOM 192 CG GLU A 11 -1.976 -15.121 -5.748 1.00 0.00 C ATOM 193 CD GLU A 11 -1.574 -16.420 -6.426 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.418 -17.297 -6.556 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.436 -16.527 -6.811 1.00 0.00 O ATOM 0 H GLU A 11 -1.990 -13.613 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.838 -16.290 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.582 -16.239 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.591 -14.531 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.451 -14.459 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.088 -14.607 -5.381 1.00 0.00 H new ATOM 202 N LYS A 12 0.249 -15.871 -3.328 1.00 0.00 N ATOM 203 CA LYS A 12 1.532 -16.545 -3.456 1.00 0.00 C ATOM 204 C LYS A 12 1.583 -17.697 -2.471 1.00 0.00 C ATOM 205 O LYS A 12 1.995 -18.809 -2.811 1.00 0.00 O ATOM 206 CB LYS A 12 2.642 -15.568 -3.086 1.00 0.00 C ATOM 207 CG LYS A 12 4.021 -16.179 -3.352 1.00 0.00 C ATOM 208 CD LYS A 12 5.050 -15.469 -2.468 1.00 0.00 C ATOM 209 CE LYS A 12 5.382 -14.086 -3.035 1.00 0.00 C ATOM 210 NZ LYS A 12 5.984 -14.223 -4.379 1.00 0.00 N ATOM 0 H LYS A 12 0.318 -14.880 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 12 1.657 -16.904 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.530 -14.649 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.557 -15.297 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.009 -17.247 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.286 -16.070 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.660 -15.369 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.958 -16.069 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.478 -13.480 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.072 -13.567 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.616 -13.417 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.529 -15.108 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.231 -14.241 -5.096 1.00 0.00 H new ATOM 224 N LYS A 13 1.163 -17.425 -1.244 1.00 0.00 N ATOM 225 CA LYS A 13 1.150 -18.449 -0.208 1.00 0.00 C ATOM 226 C LYS A 13 -0.245 -19.043 -0.144 1.00 0.00 C ATOM 227 O LYS A 13 -0.586 -19.758 0.799 1.00 0.00 O ATOM 228 CB LYS A 13 1.500 -17.865 1.174 1.00 0.00 C ATOM 229 CG LYS A 13 2.249 -16.535 1.034 1.00 0.00 C ATOM 230 CD LYS A 13 2.780 -16.102 2.406 1.00 0.00 C ATOM 231 CE LYS A 13 3.581 -14.798 2.262 1.00 0.00 C ATOM 232 NZ LYS A 13 4.170 -14.411 3.576 1.00 0.00 N ATOM 0 H LYS A 13 0.829 -16.510 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 13 1.896 -19.203 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.587 -17.714 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.113 -18.575 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.074 -16.642 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.584 -15.771 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.951 -15.957 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.412 -16.884 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.373 -14.928 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.932 -14.002 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.950 -13.740 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.439 -13.964 4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.532 -15.259 4.057 1.00 0.00 H new ATOM 246 N LYS A 14 -1.087 -18.616 -1.082 1.00 0.00 N ATOM 247 CA LYS A 14 -2.493 -18.975 -1.095 1.00 0.00 C ATOM 248 C LYS A 14 -3.156 -18.540 0.195 1.00 0.00 C ATOM 249 O LYS A 14 -3.997 -19.249 0.763 1.00 0.00 O ATOM 250 CB LYS A 14 -2.676 -20.476 -1.349 1.00 0.00 C ATOM 251 CG LYS A 14 -2.048 -20.824 -2.703 1.00 0.00 C ATOM 252 CD LYS A 14 -2.809 -20.108 -3.833 1.00 0.00 C ATOM 253 CE LYS A 14 -2.133 -20.403 -5.174 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.306 -19.234 -5.565 1.00 0.00 N ATOM 0 H LYS A 14 -0.808 -18.010 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.980 -18.450 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.205 -21.054 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.735 -20.734 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.999 -20.527 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.076 -21.902 -2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.846 -20.443 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.825 -19.033 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.511 -21.295 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.884 -20.606 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.435 -19.564 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.842 -18.635 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.061 -18.683 -4.718 1.00 0.00 H new ATOM 268 N ILE A 15 -2.824 -17.338 0.613 1.00 0.00 N ATOM 269 CA ILE A 15 -3.429 -16.749 1.786 1.00 0.00 C ATOM 270 C ILE A 15 -4.792 -16.219 1.427 1.00 0.00 C ATOM 271 O ILE A 15 -5.014 -15.762 0.305 1.00 0.00 O ATOM 272 CB ILE A 15 -2.561 -15.630 2.367 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.183 -16.158 2.707 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.190 -15.056 3.630 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.284 -17.455 3.522 1.00 0.00 C ATOM 0 H ILE A 15 -2.132 -16.746 0.153 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.521 -17.520 2.551 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.483 -14.845 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.622 -16.341 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.631 -15.409 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.555 -14.263 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.174 -14.650 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.292 -15.844 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.283 -17.817 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.825 -17.261 4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.816 -18.209 2.942 1.00 0.00 H new ATOM 287 N SER A 16 -5.721 -16.378 2.314 1.00 0.00 N ATOM 288 CA SER A 16 -7.076 -15.956 2.043 1.00 0.00 C ATOM 289 C SER A 16 -7.204 -14.447 2.262 1.00 0.00 C ATOM 290 O SER A 16 -6.652 -13.902 3.220 1.00 0.00 O ATOM 291 CB SER A 16 -8.034 -16.722 2.949 1.00 0.00 C ATOM 292 OG SER A 16 -7.586 -18.081 3.046 1.00 0.00 O ATOM 0 H SER A 16 -5.577 -16.795 3.234 1.00 0.00 H new ATOM 0 HA SER A 16 -7.330 -16.171 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.068 -16.264 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.046 -16.685 2.546 1.00 0.00 H new ATOM 0 HG SER A 16 -7.017 -18.182 3.838 1.00 0.00 H new ATOM 298 N GLN A 17 -7.972 -13.775 1.420 1.00 0.00 N ATOM 299 CA GLN A 17 -8.187 -12.347 1.602 1.00 0.00 C ATOM 300 C GLN A 17 -8.938 -12.133 2.908 1.00 0.00 C ATOM 301 O GLN A 17 -8.656 -11.203 3.661 1.00 0.00 O ATOM 302 CB GLN A 17 -9.010 -11.761 0.435 1.00 0.00 C ATOM 303 CG GLN A 17 -8.305 -11.999 -0.914 1.00 0.00 C ATOM 304 CD GLN A 17 -7.146 -11.025 -1.136 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.498 -11.070 -2.186 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.838 -10.149 -0.224 1.00 0.00 N ATOM 0 H GLN A 17 -8.450 -14.185 0.617 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.222 -11.841 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.999 -12.218 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.156 -10.692 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.931 -13.022 -0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.027 -11.894 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.371 -10.108 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.064 -9.503 -0.378 1.00 0.00 H new ATOM 315 N SER A 18 -9.910 -13.003 3.154 1.00 0.00 N ATOM 316 CA SER A 18 -10.756 -12.912 4.334 1.00 0.00 C ATOM 317 C SER A 18 -9.939 -13.023 5.617 1.00 0.00 C ATOM 318 O SER A 18 -10.095 -12.203 6.534 1.00 0.00 O ATOM 319 CB SER A 18 -11.787 -14.037 4.287 1.00 0.00 C ATOM 320 OG SER A 18 -12.431 -14.025 3.016 1.00 0.00 O ATOM 0 H SER A 18 -10.132 -13.788 2.542 1.00 0.00 H new ATOM 0 HA SER A 18 -11.249 -11.940 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.302 -14.999 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.521 -13.908 5.082 1.00 0.00 H new ATOM 0 HG SER A 18 -12.974 -14.835 2.917 1.00 0.00 H new ATOM 326 N GLU A 19 -9.041 -14.008 5.670 1.00 0.00 N ATOM 327 CA GLU A 19 -8.212 -14.188 6.849 1.00 0.00 C ATOM 328 C GLU A 19 -7.231 -13.049 6.970 1.00 0.00 C ATOM 329 O GLU A 19 -7.095 -12.436 8.028 1.00 0.00 O ATOM 330 CB GLU A 19 -7.498 -15.565 6.839 1.00 0.00 C ATOM 331 CG GLU A 19 -6.232 -15.562 5.952 1.00 0.00 C ATOM 332 CD GLU A 19 -5.745 -16.985 5.748 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.411 -17.623 6.717 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.731 -17.431 4.623 1.00 0.00 O ATOM 0 H GLU A 19 -8.875 -14.680 4.921 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.856 -14.178 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.224 -15.837 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.189 -16.328 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.452 -15.102 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.450 -14.964 6.420 1.00 0.00 H new ATOM 341 N LEU A 20 -6.640 -12.688 5.846 1.00 0.00 N ATOM 342 CA LEU A 20 -5.706 -11.586 5.804 1.00 0.00 C ATOM 343 C LEU A 20 -6.394 -10.305 6.246 1.00 0.00 C ATOM 344 O LEU A 20 -5.911 -9.606 7.129 1.00 0.00 O ATOM 345 CB LEU A 20 -5.187 -11.428 4.370 1.00 0.00 C ATOM 346 CG LEU A 20 -4.331 -10.160 4.245 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.883 -10.539 3.923 1.00 0.00 C ATOM 348 CD2 LEU A 20 -4.907 -9.273 3.133 1.00 0.00 C ATOM 0 H LEU A 20 -6.793 -13.146 4.948 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.873 -11.787 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.597 -12.301 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.026 -11.377 3.677 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.345 -9.613 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.281 -9.635 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.484 -11.164 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.851 -11.088 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.304 -8.370 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.894 -9.818 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.933 -9.000 3.380 1.00 0.00 H new ATOM 360 N ALA A 21 -7.573 -10.062 5.717 1.00 0.00 N ATOM 361 CA ALA A 21 -8.339 -8.892 6.112 1.00 0.00 C ATOM 362 C ALA A 21 -8.618 -8.929 7.602 1.00 0.00 C ATOM 363 O ALA A 21 -8.508 -7.904 8.292 1.00 0.00 O ATOM 364 CB ALA A 21 -9.645 -8.800 5.325 1.00 0.00 C ATOM 0 H ALA A 21 -8.023 -10.652 5.017 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.748 -8.004 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.198 -7.916 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.424 -8.729 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.246 -9.690 5.512 1.00 0.00 H new ATOM 370 N ALA A 22 -8.865 -10.130 8.123 1.00 0.00 N ATOM 371 CA ALA A 22 -9.041 -10.298 9.547 1.00 0.00 C ATOM 372 C ALA A 22 -7.746 -9.972 10.252 1.00 0.00 C ATOM 373 O ALA A 22 -7.741 -9.337 11.310 1.00 0.00 O ATOM 374 CB ALA A 22 -9.480 -11.725 9.879 1.00 0.00 C ATOM 0 H ALA A 22 -8.945 -10.988 7.578 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.823 -9.619 9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.606 -11.826 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.426 -11.940 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.722 -12.428 9.535 1.00 0.00 H new ATOM 380 N LEU A 23 -6.640 -10.381 9.649 1.00 0.00 N ATOM 381 CA LEU A 23 -5.334 -10.091 10.206 1.00 0.00 C ATOM 382 C LEU A 23 -5.114 -8.589 10.222 1.00 0.00 C ATOM 383 O LEU A 23 -4.562 -8.040 11.171 1.00 0.00 O ATOM 384 CB LEU A 23 -4.215 -10.752 9.383 1.00 0.00 C ATOM 385 CG LEU A 23 -4.321 -12.281 9.450 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.080 -12.921 8.826 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.501 -12.750 10.890 1.00 0.00 C ATOM 0 H LEU A 23 -6.624 -10.912 8.778 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.302 -10.492 11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.278 -10.424 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.243 -10.433 9.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.198 -12.592 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.165 -14.006 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.997 -12.614 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.192 -12.600 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.574 -13.837 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.646 -12.431 11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.412 -12.317 11.302 1.00 0.00 H new ATOM 399 N LEU A 24 -5.518 -7.936 9.141 1.00 0.00 N ATOM 400 CA LEU A 24 -5.299 -6.501 8.995 1.00 0.00 C ATOM 401 C LEU A 24 -6.225 -5.719 9.908 1.00 0.00 C ATOM 402 O LEU A 24 -5.972 -4.546 10.195 1.00 0.00 O ATOM 403 CB LEU A 24 -5.549 -6.057 7.552 1.00 0.00 C ATOM 404 CG LEU A 24 -4.637 -6.824 6.589 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.877 -6.365 5.154 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.172 -6.641 6.963 1.00 0.00 C ATOM 0 H LEU A 24 -5.997 -8.374 8.354 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.262 -6.301 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.593 -6.228 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.368 -4.986 7.458 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.878 -7.884 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.222 -6.918 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.916 -6.549 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.664 -5.299 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.546 -7.196 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.915 -5.583 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.005 -7.014 7.974 1.00 0.00 H new ATOM 418 N GLU A 25 -7.343 -6.343 10.268 1.00 0.00 N ATOM 419 CA GLU A 25 -8.398 -5.707 11.065 1.00 0.00 C ATOM 420 C GLU A 25 -9.223 -4.767 10.187 1.00 0.00 C ATOM 421 O GLU A 25 -9.836 -3.812 10.683 1.00 0.00 O ATOM 422 CB GLU A 25 -7.818 -4.914 12.248 1.00 0.00 C ATOM 423 CG GLU A 25 -7.038 -5.846 13.195 1.00 0.00 C ATOM 424 CD GLU A 25 -6.422 -5.053 14.334 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.605 -3.855 14.374 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.772 -5.650 15.158 1.00 0.00 O ATOM 0 H GLU A 25 -7.548 -7.310 10.016 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.031 -6.501 11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.159 -4.128 11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.624 -4.423 12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.706 -6.609 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.256 -6.365 12.641 1.00 0.00 H new ATOM 433 N VAL A 26 -9.258 -5.048 8.894 1.00 0.00 N ATOM 434 CA VAL A 26 -10.024 -4.239 7.950 1.00 0.00 C ATOM 435 C VAL A 26 -10.866 -5.132 7.048 1.00 0.00 C ATOM 436 O VAL A 26 -10.658 -6.346 7.005 1.00 0.00 O ATOM 437 CB VAL A 26 -9.089 -3.354 7.114 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.326 -2.392 8.034 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.087 -4.220 6.344 1.00 0.00 C ATOM 0 H VAL A 26 -8.764 -5.833 8.470 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.693 -3.590 8.515 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.689 -2.784 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.664 -1.766 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.035 -1.762 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.736 -2.964 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.430 -3.580 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.492 -4.801 7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.625 -4.896 5.680 1.00 0.00 H new ATOM 449 N SER A 27 -11.842 -4.548 6.375 1.00 0.00 N ATOM 450 CA SER A 27 -12.729 -5.315 5.523 1.00 0.00 C ATOM 451 C SER A 27 -11.985 -5.864 4.299 1.00 0.00 C ATOM 452 O SER A 27 -11.152 -5.175 3.686 1.00 0.00 O ATOM 453 CB SER A 27 -13.927 -4.462 5.096 1.00 0.00 C ATOM 454 OG SER A 27 -14.422 -3.753 6.230 1.00 0.00 O ATOM 0 H SER A 27 -12.039 -3.548 6.403 1.00 0.00 H new ATOM 0 HA SER A 27 -13.097 -6.167 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.631 -3.762 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.709 -5.095 4.677 1.00 0.00 H new ATOM 0 HG SER A 27 -15.188 -3.203 5.963 1.00 0.00 H new ATOM 460 N ARG A 28 -12.319 -7.087 3.940 1.00 0.00 N ATOM 461 CA ARG A 28 -11.731 -7.778 2.798 1.00 0.00 C ATOM 462 C ARG A 28 -12.015 -7.035 1.502 1.00 0.00 C ATOM 463 O ARG A 28 -11.126 -6.871 0.658 1.00 0.00 O ATOM 464 CB ARG A 28 -12.326 -9.188 2.736 1.00 0.00 C ATOM 465 CG ARG A 28 -11.730 -10.003 1.592 1.00 0.00 C ATOM 466 CD ARG A 28 -12.432 -11.365 1.560 1.00 0.00 C ATOM 467 NE ARG A 28 -13.850 -11.189 1.234 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.780 -12.094 1.572 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.447 -13.153 2.257 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.020 -11.915 1.213 1.00 0.00 N ATOM 0 H ARG A 28 -13.016 -7.641 4.437 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.649 -7.824 2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.145 -9.701 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.407 -9.122 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.865 -9.483 0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.657 -10.131 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.958 -12.011 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.331 -11.859 2.527 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.139 -10.349 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.477 -13.295 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.157 -13.839 2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.281 -11.088 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.729 -12.602 1.469 1.00 0.00 H new ATOM 484 N GLN A 29 -13.249 -6.589 1.349 1.00 0.00 N ATOM 485 CA GLN A 29 -13.657 -5.888 0.144 1.00 0.00 C ATOM 486 C GLN A 29 -12.755 -4.696 -0.099 1.00 0.00 C ATOM 487 O GLN A 29 -12.283 -4.475 -1.212 1.00 0.00 O ATOM 488 CB GLN A 29 -15.121 -5.437 0.259 1.00 0.00 C ATOM 489 CG GLN A 29 -15.325 -4.625 1.546 1.00 0.00 C ATOM 490 CD GLN A 29 -16.807 -4.518 1.858 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.503 -3.672 1.302 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.335 -5.328 2.714 1.00 0.00 N ATOM 0 H GLN A 29 -13.987 -6.700 2.045 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.570 -6.569 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.393 -4.834 -0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.778 -6.307 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.803 -5.103 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.896 -3.630 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.757 -6.030 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.330 -5.266 2.929 1.00 0.00 H new ATOM 501 N THR A 30 -12.469 -3.969 0.951 1.00 0.00 N ATOM 502 CA THR A 30 -11.592 -2.830 0.851 1.00 0.00 C ATOM 503 C THR A 30 -10.194 -3.259 0.419 1.00 0.00 C ATOM 504 O THR A 30 -9.593 -2.644 -0.461 1.00 0.00 O ATOM 505 CB THR A 30 -11.542 -2.103 2.199 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.987 -2.989 3.230 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.454 -0.870 2.162 1.00 0.00 C ATOM 0 H THR A 30 -12.832 -4.146 1.888 1.00 0.00 H new ATOM 0 HA THR A 30 -11.980 -2.150 0.093 1.00 0.00 H new ATOM 0 HB THR A 30 -10.518 -1.786 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.266 -3.612 3.460 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.413 -0.358 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.119 -0.193 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.479 -1.181 1.960 1.00 0.00 H new ATOM 515 N ILE A 31 -9.680 -4.316 1.035 1.00 0.00 N ATOM 516 CA ILE A 31 -8.336 -4.773 0.726 1.00 0.00 C ATOM 517 C ILE A 31 -8.228 -5.232 -0.719 1.00 0.00 C ATOM 518 O ILE A 31 -7.320 -4.820 -1.435 1.00 0.00 O ATOM 519 CB ILE A 31 -7.913 -5.895 1.691 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.784 -5.325 3.110 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.567 -6.491 1.260 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.723 -4.215 3.128 1.00 0.00 C ATOM 0 H ILE A 31 -10.168 -4.865 1.742 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.656 -3.931 0.856 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.670 -6.679 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.744 -4.929 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.508 -6.117 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.281 -7.283 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.657 -6.903 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.805 -5.711 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.634 -3.813 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.763 -4.625 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.018 -3.419 2.445 1.00 0.00 H new ATOM 534 N ASN A 32 -9.195 -6.006 -1.178 1.00 0.00 N ATOM 535 CA ASN A 32 -9.178 -6.431 -2.569 1.00 0.00 C ATOM 536 C ASN A 32 -9.520 -5.263 -3.486 1.00 0.00 C ATOM 537 O ASN A 32 -9.151 -5.250 -4.654 1.00 0.00 O ATOM 538 CB ASN A 32 -10.087 -7.653 -2.817 1.00 0.00 C ATOM 539 CG ASN A 32 -11.560 -7.263 -2.898 1.00 0.00 C ATOM 540 OD1 ASN A 32 -11.932 -6.345 -3.637 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.429 -7.909 -2.186 1.00 0.00 N ATOM 0 H ASN A 32 -9.983 -6.347 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.166 -6.758 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.790 -8.143 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.947 -8.377 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.417 -7.659 -2.237 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.125 -8.667 -1.575 1.00 0.00 H new ATOM 548 N GLY A 33 -10.189 -4.261 -2.932 1.00 0.00 N ATOM 549 CA GLY A 33 -10.527 -3.050 -3.674 1.00 0.00 C ATOM 550 C GLY A 33 -9.281 -2.245 -4.022 1.00 0.00 C ATOM 551 O GLY A 33 -9.237 -1.546 -5.048 1.00 0.00 O ATOM 0 H GLY A 33 -10.511 -4.262 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.056 -3.318 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.205 -2.436 -3.081 1.00 0.00 H new ATOM 555 N ILE A 34 -8.308 -2.261 -3.126 1.00 0.00 N ATOM 556 CA ILE A 34 -7.107 -1.459 -3.298 1.00 0.00 C ATOM 557 C ILE A 34 -6.335 -1.890 -4.546 1.00 0.00 C ATOM 558 O ILE A 34 -5.977 -1.053 -5.379 1.00 0.00 O ATOM 559 CB ILE A 34 -6.227 -1.552 -2.041 1.00 0.00 C ATOM 560 CG1 ILE A 34 -6.935 -0.856 -0.875 1.00 0.00 C ATOM 561 CG2 ILE A 34 -4.887 -0.863 -2.286 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.195 -1.149 0.432 1.00 0.00 C ATOM 0 H ILE A 34 -8.326 -2.820 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.400 -0.418 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.056 -2.602 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.971 0.219 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.966 -1.202 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.272 -0.935 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.375 -1.348 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.056 0.187 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.704 -0.651 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.182 -2.224 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.172 -0.781 0.361 1.00 0.00 H new ATOM 574 N GLU A 35 -6.184 -3.194 -4.739 1.00 0.00 N ATOM 575 CA GLU A 35 -5.510 -3.701 -5.945 1.00 0.00 C ATOM 576 C GLU A 35 -6.220 -3.166 -7.151 1.00 0.00 C ATOM 577 O GLU A 35 -5.622 -2.890 -8.190 1.00 0.00 O ATOM 578 CB GLU A 35 -5.541 -5.237 -6.037 1.00 0.00 C ATOM 579 CG GLU A 35 -5.809 -5.892 -4.682 1.00 0.00 C ATOM 580 CD GLU A 35 -4.491 -6.278 -4.025 1.00 0.00 C ATOM 581 OE1 GLU A 35 -3.582 -5.465 -4.021 1.00 0.00 O ATOM 582 OE2 GLU A 35 -4.395 -7.387 -3.561 1.00 0.00 O ATOM 0 H GLU A 35 -6.509 -3.914 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.470 -3.377 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.312 -5.541 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.589 -5.595 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.359 -5.205 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.433 -6.776 -4.812 1.00 0.00 H new ATOM 589 N LYS A 36 -7.519 -3.101 -7.029 1.00 0.00 N ATOM 590 CA LYS A 36 -8.357 -2.665 -8.103 1.00 0.00 C ATOM 591 C LYS A 36 -8.164 -1.193 -8.385 1.00 0.00 C ATOM 592 O LYS A 36 -8.688 -0.694 -9.371 1.00 0.00 O ATOM 593 CB LYS A 36 -9.813 -2.977 -7.807 1.00 0.00 C ATOM 594 CG LYS A 36 -10.111 -4.434 -8.170 1.00 0.00 C ATOM 595 CD LYS A 36 -8.958 -5.339 -7.687 1.00 0.00 C ATOM 596 CE LYS A 36 -9.422 -6.787 -7.627 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.286 -7.088 -8.795 1.00 0.00 N ATOM 0 H LYS A 36 -8.023 -3.351 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.067 -3.213 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.025 -2.804 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.461 -2.310 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.049 -4.748 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.235 -4.532 -9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.107 -5.249 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.619 -5.016 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.560 -7.454 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.971 -6.964 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.337 -8.118 -8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.241 -6.714 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.886 -6.644 -9.646 1.00 0.00 H new ATOM 611 N ASN A 37 -7.378 -0.523 -7.521 1.00 0.00 N ATOM 612 CA ASN A 37 -7.006 0.908 -7.655 1.00 0.00 C ATOM 613 C ASN A 37 -7.639 1.788 -6.583 1.00 0.00 C ATOM 614 O ASN A 37 -7.510 3.017 -6.628 1.00 0.00 O ATOM 615 CB ASN A 37 -7.287 1.482 -9.061 1.00 0.00 C ATOM 616 CG ASN A 37 -8.657 2.158 -9.101 1.00 0.00 C ATOM 617 OD1 ASN A 37 -8.755 3.384 -9.066 1.00 0.00 O ATOM 618 ND2 ASN A 37 -9.723 1.435 -9.169 1.00 0.00 N ATOM 0 H ASN A 37 -6.974 -0.964 -6.695 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.926 0.927 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.513 2.201 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.248 0.682 -9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.640 1.880 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.649 0.418 -9.198 1.00 0.00 H new ATOM 625 N LYS A 38 -8.260 1.178 -5.585 1.00 0.00 N ATOM 626 CA LYS A 38 -8.840 1.962 -4.499 1.00 0.00 C ATOM 627 C LYS A 38 -7.723 2.524 -3.627 1.00 0.00 C ATOM 628 O LYS A 38 -6.632 1.957 -3.579 1.00 0.00 O ATOM 629 CB LYS A 38 -9.822 1.128 -3.654 1.00 0.00 C ATOM 630 CG LYS A 38 -10.898 2.048 -3.035 1.00 0.00 C ATOM 631 CD LYS A 38 -11.894 2.469 -4.133 1.00 0.00 C ATOM 632 CE LYS A 38 -12.952 3.434 -3.578 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.691 2.805 -2.446 1.00 0.00 N ATOM 0 H LYS A 38 -8.375 0.168 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.410 2.783 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.295 0.368 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.282 0.604 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.421 1.528 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.431 2.928 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.357 2.946 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.383 1.585 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.473 4.353 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.651 3.710 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.702 3.036 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.568 1.773 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.319 3.167 -1.545 1.00 0.00 H new ATOM 647 N TYR A 39 -7.977 3.670 -3.006 1.00 0.00 N ATOM 648 CA TYR A 39 -6.974 4.348 -2.176 1.00 0.00 C ATOM 649 C TYR A 39 -6.143 3.340 -1.387 1.00 0.00 C ATOM 650 O TYR A 39 -6.683 2.480 -0.692 1.00 0.00 O ATOM 651 CB TYR A 39 -7.649 5.343 -1.216 1.00 0.00 C ATOM 652 CG TYR A 39 -9.083 4.928 -0.974 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.366 3.829 -0.154 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.129 5.633 -1.583 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.690 3.439 0.055 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.450 5.243 -1.367 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.730 4.146 -0.548 1.00 0.00 C ATOM 658 OH TYR A 39 -13.031 3.751 -0.353 1.00 0.00 O ATOM 0 H TYR A 39 -8.872 4.156 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.307 4.897 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.106 5.377 -0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.618 6.348 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.561 3.284 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.912 6.478 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.909 2.589 0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.257 5.789 -1.833 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.622 4.530 -0.416 1.00 0.00 H new ATOM 668 N ASN A 40 -4.833 3.438 -1.530 1.00 0.00 N ATOM 669 CA ASN A 40 -3.916 2.511 -0.879 1.00 0.00 C ATOM 670 C ASN A 40 -4.079 2.541 0.642 1.00 0.00 C ATOM 671 O ASN A 40 -4.623 3.498 1.199 1.00 0.00 O ATOM 672 CB ASN A 40 -2.469 2.822 -1.279 1.00 0.00 C ATOM 673 CG ASN A 40 -2.113 2.079 -2.562 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.060 0.848 -2.574 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.874 2.748 -3.650 1.00 0.00 N ATOM 0 H ASN A 40 -4.375 4.154 -2.094 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.160 1.503 -1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.345 3.895 -1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.790 2.528 -0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.643 2.254 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.917 3.767 -3.642 1.00 0.00 H new ATOM 682 N PRO A 41 -3.614 1.515 1.326 1.00 0.00 N ATOM 683 CA PRO A 41 -3.744 1.402 2.814 1.00 0.00 C ATOM 684 C PRO A 41 -2.951 2.475 3.545 1.00 0.00 C ATOM 685 O PRO A 41 -2.028 3.065 2.980 1.00 0.00 O ATOM 686 CB PRO A 41 -3.200 0.003 3.119 1.00 0.00 C ATOM 687 CG PRO A 41 -2.271 -0.298 1.987 1.00 0.00 C ATOM 688 CD PRO A 41 -2.901 0.349 0.756 1.00 0.00 C ATOM 0 HA PRO A 41 -4.772 1.543 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.678 -0.019 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.004 -0.731 3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.277 0.107 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.156 -1.373 1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.148 0.652 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.582 -0.332 0.245 1.00 0.00 H new ATOM 696 N SER A 42 -3.357 2.775 4.769 1.00 0.00 N ATOM 697 CA SER A 42 -2.720 3.814 5.562 1.00 0.00 C ATOM 698 C SER A 42 -1.273 3.458 5.893 1.00 0.00 C ATOM 699 O SER A 42 -0.775 2.383 5.511 1.00 0.00 O ATOM 700 CB SER A 42 -3.519 4.074 6.833 1.00 0.00 C ATOM 701 OG SER A 42 -3.856 2.833 7.447 1.00 0.00 O ATOM 0 H SER A 42 -4.133 2.308 5.238 1.00 0.00 H new ATOM 0 HA SER A 42 -2.703 4.728 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.937 4.686 7.522 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.425 4.633 6.598 1.00 0.00 H new ATOM 0 HG SER A 42 -4.368 3.001 8.265 1.00 0.00 H new ATOM 707 N LEU A 43 -0.568 4.402 6.498 1.00 0.00 N ATOM 708 CA LEU A 43 0.860 4.255 6.743 1.00 0.00 C ATOM 709 C LEU A 43 1.149 3.048 7.619 1.00 0.00 C ATOM 710 O LEU A 43 1.953 2.189 7.257 1.00 0.00 O ATOM 711 CB LEU A 43 1.372 5.532 7.439 1.00 0.00 C ATOM 712 CG LEU A 43 2.871 5.424 7.756 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.660 5.183 6.473 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.343 6.731 8.403 1.00 0.00 C ATOM 0 H LEU A 43 -0.963 5.282 6.830 1.00 0.00 H new ATOM 0 HA LEU A 43 1.368 4.106 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.194 6.396 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.813 5.697 8.360 1.00 0.00 H new ATOM 0 HG LEU A 43 3.035 4.590 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.722 5.108 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.324 4.256 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.498 6.013 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.407 6.661 8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.173 7.560 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.786 6.903 9.324 1.00 0.00 H new ATOM 726 N GLN A 44 0.436 2.934 8.724 1.00 0.00 N ATOM 727 CA GLN A 44 0.604 1.793 9.603 1.00 0.00 C ATOM 728 C GLN A 44 0.069 0.528 8.955 1.00 0.00 C ATOM 729 O GLN A 44 0.629 -0.555 9.117 1.00 0.00 O ATOM 730 CB GLN A 44 -0.126 2.034 10.917 1.00 0.00 C ATOM 731 CG GLN A 44 0.127 0.872 11.874 1.00 0.00 C ATOM 732 CD GLN A 44 -0.695 1.073 13.126 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.147 1.200 14.223 1.00 0.00 O ATOM 734 NE2 GLN A 44 -1.983 1.122 13.021 1.00 0.00 N ATOM 0 H GLN A 44 -0.260 3.613 9.032 1.00 0.00 H new ATOM 0 HA GLN A 44 1.670 1.667 9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.215 2.967 11.366 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.195 2.140 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.138 -0.072 11.398 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.186 0.816 12.125 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.425 1.016 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.557 1.267 13.851 1.00 0.00 H new ATOM 743 N LEU A 45 -1.092 0.646 8.335 1.00 0.00 N ATOM 744 CA LEU A 45 -1.782 -0.522 7.819 1.00 0.00 C ATOM 745 C LEU A 45 -0.935 -1.214 6.758 1.00 0.00 C ATOM 746 O LEU A 45 -0.737 -2.427 6.812 1.00 0.00 O ATOM 747 CB LEU A 45 -3.168 -0.131 7.274 1.00 0.00 C ATOM 748 CG LEU A 45 -4.152 -1.319 7.360 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.685 -2.466 6.466 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.263 -1.811 8.818 1.00 0.00 C ATOM 0 H LEU A 45 -1.573 1.531 8.178 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.936 -1.230 8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.561 0.713 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.076 0.196 6.238 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.130 -0.981 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.390 -3.294 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.633 -2.124 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.698 -2.800 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.959 -2.648 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.283 -2.133 9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.626 -1.000 9.449 1.00 0.00 H new ATOM 762 N ALA A 46 -0.326 -0.433 5.874 1.00 0.00 N ATOM 763 CA ALA A 46 0.569 -1.012 4.874 1.00 0.00 C ATOM 764 C ALA A 46 1.707 -1.750 5.565 1.00 0.00 C ATOM 765 O ALA A 46 2.051 -2.879 5.197 1.00 0.00 O ATOM 766 CB ALA A 46 1.133 0.076 3.958 1.00 0.00 C ATOM 0 H ALA A 46 -0.430 0.581 5.826 1.00 0.00 H new ATOM 0 HA ALA A 46 0.000 -1.715 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.797 -0.377 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.314 0.582 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.691 0.799 4.553 1.00 0.00 H new ATOM 772 N LEU A 47 2.222 -1.150 6.627 1.00 0.00 N ATOM 773 CA LEU A 47 3.266 -1.779 7.423 1.00 0.00 C ATOM 774 C LEU A 47 2.733 -3.065 8.043 1.00 0.00 C ATOM 775 O LEU A 47 3.401 -4.115 8.009 1.00 0.00 O ATOM 776 CB LEU A 47 3.756 -0.819 8.513 1.00 0.00 C ATOM 777 CG LEU A 47 4.501 0.362 7.865 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.797 1.434 8.919 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.819 -0.125 7.246 1.00 0.00 C ATOM 0 H LEU A 47 1.935 -0.229 6.958 1.00 0.00 H new ATOM 0 HA LEU A 47 4.110 -2.021 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.911 -0.453 9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.416 -1.344 9.204 1.00 0.00 H new ATOM 0 HG LEU A 47 3.872 0.788 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.324 2.266 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.861 1.792 9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.417 1.008 9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.340 0.717 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.446 -0.562 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.608 -0.876 6.485 1.00 0.00 H new ATOM 791 N LYS A 48 1.492 -3.005 8.526 1.00 0.00 N ATOM 792 CA LYS A 48 0.830 -4.184 9.071 1.00 0.00 C ATOM 793 C LYS A 48 0.659 -5.244 8.005 1.00 0.00 C ATOM 794 O LYS A 48 0.810 -6.432 8.282 1.00 0.00 O ATOM 795 CB LYS A 48 -0.548 -3.841 9.659 1.00 0.00 C ATOM 796 CG LYS A 48 -0.393 -3.055 10.970 1.00 0.00 C ATOM 797 CD LYS A 48 -1.790 -2.725 11.528 1.00 0.00 C ATOM 798 CE LYS A 48 -1.662 -2.027 12.885 1.00 0.00 C ATOM 799 NZ LYS A 48 -1.348 -3.027 13.938 1.00 0.00 N ATOM 0 H LYS A 48 0.929 -2.155 8.550 1.00 0.00 H new ATOM 0 HA LYS A 48 1.467 -4.564 9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.120 -3.253 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.110 -4.757 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.173 -3.640 11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.168 -2.137 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.327 -2.084 10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.373 -3.640 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.878 -1.271 12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.590 -1.510 13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.362 -2.566 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.057 -3.788 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.404 -3.429 13.765 1.00 0.00 H new ATOM 813 N ILE A 49 0.294 -4.831 6.799 1.00 0.00 N ATOM 814 CA ILE A 49 0.039 -5.804 5.753 1.00 0.00 C ATOM 815 C ILE A 49 1.313 -6.574 5.469 1.00 0.00 C ATOM 816 O ILE A 49 1.314 -7.809 5.461 1.00 0.00 O ATOM 817 CB ILE A 49 -0.478 -5.130 4.466 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.851 -4.518 4.730 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.626 -6.183 3.358 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.289 -3.688 3.524 1.00 0.00 C ATOM 0 H ILE A 49 0.171 -3.856 6.528 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.738 -6.487 6.096 1.00 0.00 H new ATOM 0 HB ILE A 49 0.228 -4.358 4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.579 -5.306 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.814 -3.891 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.991 -5.706 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.342 -6.643 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.334 -6.948 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.270 -3.254 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.567 -2.890 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.343 -4.327 2.643 1.00 0.00 H new ATOM 832 N ALA A 50 2.419 -5.854 5.363 1.00 0.00 N ATOM 833 CA ALA A 50 3.707 -6.500 5.182 1.00 0.00 C ATOM 834 C ALA A 50 3.990 -7.412 6.362 1.00 0.00 C ATOM 835 O ALA A 50 4.373 -8.573 6.186 1.00 0.00 O ATOM 836 CB ALA A 50 4.826 -5.460 5.043 1.00 0.00 C ATOM 0 H ALA A 50 2.451 -4.835 5.399 1.00 0.00 H new ATOM 0 HA ALA A 50 3.674 -7.089 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.781 -5.969 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.628 -4.826 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.866 -4.846 5.943 1.00 0.00 H new ATOM 842 N TYR A 51 3.786 -6.884 7.565 1.00 0.00 N ATOM 843 CA TYR A 51 4.015 -7.658 8.773 1.00 0.00 C ATOM 844 C TYR A 51 3.088 -8.865 8.851 1.00 0.00 C ATOM 845 O TYR A 51 3.549 -9.990 9.028 1.00 0.00 O ATOM 846 CB TYR A 51 3.834 -6.778 10.017 1.00 0.00 C ATOM 847 CG TYR A 51 3.980 -7.624 11.263 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.244 -8.064 11.666 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.849 -7.970 12.012 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.380 -8.847 12.816 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.985 -8.753 13.162 1.00 0.00 C ATOM 852 CZ TYR A 51 4.248 -9.191 13.563 1.00 0.00 C ATOM 853 OH TYR A 51 4.384 -9.962 14.695 1.00 0.00 O ATOM 0 H TYR A 51 3.465 -5.929 7.726 1.00 0.00 H new ATOM 0 HA TYR A 51 5.042 -8.023 8.738 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.574 -5.978 10.020 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.853 -6.304 10.000 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.117 -7.799 11.088 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.871 -7.632 11.701 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.357 -9.186 13.127 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.113 -9.019 13.740 1.00 0.00 H new ATOM 0 HH TYR A 51 3.503 -10.110 15.098 1.00 0.00 H new ATOM 863 N TYR A 52 1.789 -8.640 8.686 1.00 0.00 N ATOM 864 CA TYR A 52 0.837 -9.742 8.737 1.00 0.00 C ATOM 865 C TYR A 52 1.094 -10.719 7.616 1.00 0.00 C ATOM 866 O TYR A 52 1.144 -11.930 7.829 1.00 0.00 O ATOM 867 CB TYR A 52 -0.604 -9.230 8.630 1.00 0.00 C ATOM 868 CG TYR A 52 -1.122 -8.792 9.980 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.363 -9.746 10.977 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.384 -7.442 10.230 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.863 -9.351 12.220 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.889 -7.044 11.473 1.00 0.00 C ATOM 873 CZ TYR A 52 -2.128 -8.003 12.467 1.00 0.00 C ATOM 874 OH TYR A 52 -2.639 -7.618 13.691 1.00 0.00 O ATOM 0 H TYR A 52 1.377 -7.722 8.519 1.00 0.00 H new ATOM 0 HA TYR A 52 0.969 -10.243 9.696 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.646 -8.395 7.931 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.244 -10.015 8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.162 -10.789 10.784 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.196 -6.705 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.044 -10.087 12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.094 -6.001 11.666 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.766 -6.646 13.702 1.00 0.00 H new ATOM 884 N LEU A 53 1.228 -10.191 6.414 1.00 0.00 N ATOM 885 CA LEU A 53 1.452 -11.019 5.247 1.00 0.00 C ATOM 886 C LEU A 53 2.806 -11.710 5.324 1.00 0.00 C ATOM 887 O LEU A 53 2.966 -12.830 4.844 1.00 0.00 O ATOM 888 CB LEU A 53 1.294 -10.206 3.946 1.00 0.00 C ATOM 889 CG LEU A 53 1.016 -11.125 2.727 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.323 -11.521 2.059 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.243 -12.390 3.140 1.00 0.00 C ATOM 0 H LEU A 53 1.185 -9.190 6.221 1.00 0.00 H new ATOM 0 HA LEU A 53 0.689 -11.797 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.477 -9.493 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.200 -9.627 3.766 1.00 0.00 H new ATOM 0 HG LEU A 53 0.402 -10.564 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.115 -12.166 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.844 -10.626 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.949 -12.056 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.065 -13.011 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.827 -12.951 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.712 -12.105 3.582 1.00 0.00 H new ATOM 903 N ASN A 54 3.802 -10.990 5.838 1.00 0.00 N ATOM 904 CA ASN A 54 5.186 -11.474 5.889 1.00 0.00 C ATOM 905 C ASN A 54 5.802 -11.452 4.512 1.00 0.00 C ATOM 906 O ASN A 54 5.889 -12.482 3.825 1.00 0.00 O ATOM 907 CB ASN A 54 5.288 -12.867 6.515 1.00 0.00 C ATOM 908 CG ASN A 54 4.999 -12.776 8.005 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.892 -12.448 8.796 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.804 -13.014 8.439 1.00 0.00 N ATOM 0 H ASN A 54 3.676 -10.057 6.230 1.00 0.00 H new ATOM 0 HA ASN A 54 5.747 -10.797 6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.580 -13.545 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.284 -13.279 6.351 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.597 -12.931 9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.069 -13.284 7.786 1.00 0.00 H new ATOM 917 N THR A 55 6.070 -10.252 4.055 1.00 0.00 N ATOM 918 CA THR A 55 6.600 -10.000 2.730 1.00 0.00 C ATOM 919 C THR A 55 7.098 -8.556 2.673 1.00 0.00 C ATOM 920 O THR A 55 6.561 -7.697 3.380 1.00 0.00 O ATOM 921 CB THR A 55 5.482 -10.232 1.696 1.00 0.00 C ATOM 922 OG1 THR A 55 5.225 -11.631 1.589 1.00 0.00 O ATOM 923 CG2 THR A 55 5.860 -9.665 0.317 1.00 0.00 C ATOM 0 H THR A 55 5.924 -9.404 4.603 1.00 0.00 H new ATOM 0 HA THR A 55 7.429 -10.672 2.507 1.00 0.00 H new ATOM 0 HB THR A 55 4.587 -9.710 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.817 -12.120 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.048 -9.847 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.034 -8.592 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.766 -10.153 -0.041 1.00 0.00 H new ATOM 931 N PRO A 56 8.044 -8.245 1.809 1.00 0.00 N ATOM 932 CA PRO A 56 8.488 -6.840 1.614 1.00 0.00 C ATOM 933 C PRO A 56 7.307 -5.958 1.207 1.00 0.00 C ATOM 934 O PRO A 56 6.412 -6.394 0.475 1.00 0.00 O ATOM 935 CB PRO A 56 9.504 -6.938 0.464 1.00 0.00 C ATOM 936 CG PRO A 56 9.993 -8.349 0.507 1.00 0.00 C ATOM 937 CD PRO A 56 8.795 -9.187 0.943 1.00 0.00 C ATOM 0 HA PRO A 56 8.908 -6.398 2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.039 -6.709 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.323 -6.231 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.359 -8.667 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.821 -8.455 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.200 -9.518 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.101 -10.081 1.486 1.00 0.00 H new ATOM 945 N LEU A 57 7.327 -4.726 1.665 1.00 0.00 N ATOM 946 CA LEU A 57 6.274 -3.765 1.372 1.00 0.00 C ATOM 947 C LEU A 57 6.191 -3.573 -0.138 1.00 0.00 C ATOM 948 O LEU A 57 5.099 -3.447 -0.709 1.00 0.00 O ATOM 949 CB LEU A 57 6.610 -2.418 2.060 1.00 0.00 C ATOM 950 CG LEU A 57 5.342 -1.572 2.328 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.490 -1.430 1.068 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.508 -2.214 3.445 1.00 0.00 C ATOM 0 H LEU A 57 8.074 -4.356 2.253 1.00 0.00 H new ATOM 0 HA LEU A 57 5.316 -4.127 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.123 -2.610 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.298 -1.852 1.432 1.00 0.00 H new ATOM 0 HG LEU A 57 5.664 -0.577 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.608 -0.830 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.073 -0.941 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.181 -2.417 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.618 -1.612 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.211 -3.219 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.102 -2.268 4.357 1.00 0.00 H new ATOM 964 N GLU A 58 7.351 -3.559 -0.782 1.00 0.00 N ATOM 965 CA GLU A 58 7.419 -3.318 -2.212 1.00 0.00 C ATOM 966 C GLU A 58 6.557 -4.313 -2.988 1.00 0.00 C ATOM 967 O GLU A 58 5.927 -3.944 -3.975 1.00 0.00 O ATOM 968 CB GLU A 58 8.868 -3.419 -2.712 1.00 0.00 C ATOM 969 CG GLU A 58 9.718 -2.259 -2.156 1.00 0.00 C ATOM 970 CD GLU A 58 11.169 -2.378 -2.621 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.491 -3.338 -3.290 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.939 -1.505 -2.307 1.00 0.00 O ATOM 0 H GLU A 58 8.255 -3.712 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 58 7.040 -2.311 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.299 -4.372 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.884 -3.399 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.302 -1.307 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.679 -2.263 -1.067 1.00 0.00 H new ATOM 979 N ASP A 59 6.581 -5.582 -2.591 1.00 0.00 N ATOM 980 CA ASP A 59 5.827 -6.604 -3.326 1.00 0.00 C ATOM 981 C ASP A 59 4.337 -6.357 -3.235 1.00 0.00 C ATOM 982 O ASP A 59 3.627 -6.381 -4.244 1.00 0.00 O ATOM 983 CB ASP A 59 6.140 -8.006 -2.804 1.00 0.00 C ATOM 984 CG ASP A 59 7.392 -8.532 -3.470 1.00 0.00 C ATOM 985 OD1 ASP A 59 7.385 -8.665 -4.678 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.351 -8.772 -2.775 1.00 0.00 O ATOM 0 H ASP A 59 7.100 -5.927 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 59 6.135 -6.537 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.276 -7.980 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.302 -8.674 -3.004 1.00 0.00 H new ATOM 991 N ILE A 60 3.860 -6.140 -2.025 1.00 0.00 N ATOM 992 CA ILE A 60 2.441 -5.911 -1.807 1.00 0.00 C ATOM 993 C ILE A 60 2.008 -4.549 -2.330 1.00 0.00 C ATOM 994 O ILE A 60 1.030 -4.447 -3.089 1.00 0.00 O ATOM 995 CB ILE A 60 2.086 -6.083 -0.319 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.020 -5.226 0.552 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.225 -7.554 0.085 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.598 -5.337 2.015 1.00 0.00 C ATOM 0 H ILE A 60 4.430 -6.117 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 60 1.889 -6.661 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 60 1.056 -5.760 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.051 -5.559 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.982 -4.185 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.972 -7.667 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.550 -8.162 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.252 -7.881 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.260 -4.729 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.573 -4.983 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.659 -6.378 2.333 1.00 0.00 H new ATOM 1010 N PHE A 61 2.800 -3.530 -2.028 1.00 0.00 N ATOM 1011 CA PHE A 61 2.540 -2.192 -2.527 1.00 0.00 C ATOM 1012 C PHE A 61 3.841 -1.529 -2.929 1.00 0.00 C ATOM 1013 O PHE A 61 4.420 -0.772 -2.148 1.00 0.00 O ATOM 1014 CB PHE A 61 1.853 -1.328 -1.450 1.00 0.00 C ATOM 1015 CG PHE A 61 0.599 -2.010 -0.953 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.589 -1.923 -1.684 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.631 -2.736 0.242 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.746 -2.562 -1.219 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.518 -3.375 0.704 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.709 -3.290 -0.026 1.00 0.00 C ATOM 0 H PHE A 61 3.629 -3.607 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 61 1.881 -2.277 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.537 -1.159 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.604 -0.350 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.615 -1.363 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.548 -2.802 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.665 -2.492 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.489 -3.936 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.599 -3.786 0.332 1.00 0.00 H new