USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 429 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 15 MET CE :methyl -150:sc= -0.122 (180deg=-0.676) USER MOD Set 1.2: A 21 TYR OH : rot 42:sc= 1.19 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.98 K(o=-0.13,f=-19!) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 151:sc= -1.11! (180deg=-5.44!) USER MOD Set 3.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 8 SER OG : rot 150:sc= -1.02 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0774 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 66:sc= 1.2 USER MOD Single : A 16 SER OG : rot 74:sc= 0.2 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0734 F(o=-1.5!,f=-0.073) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 1.12 (180deg=1.09) USER MOD Single : A 32 GLN : amide:sc= 0.925 K(o=0.93,f=-0.9) USER MOD Single : A 33 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= -0.0622 K(o=-0.062,f=-3.7!) USER MOD Single : A 37 MET CE :methyl -133:sc= -2.67! (180deg=-5.39!) USER MOD Single : A 40 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00871 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.036 5.908 1.447 1.00 0.00 N ATOM 2 CA ALA A 1 -18.731 7.140 0.690 1.00 0.00 C ATOM 3 C ALA A 1 -17.266 7.157 0.281 1.00 0.00 C ATOM 4 O ALA A 1 -16.422 6.548 0.940 1.00 0.00 O ATOM 5 CB ALA A 1 -19.055 8.367 1.526 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.655 5.295 0.878 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.152 5.404 1.661 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.517 6.156 2.335 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.347 7.157 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.825 9.267 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.114 8.362 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.459 8.354 2.438 1.00 0.00 H new ATOM 13 N THR A 2 -16.961 7.851 -0.801 1.00 0.00 N ATOM 14 CA THR A 2 -15.587 7.966 -1.255 1.00 0.00 C ATOM 15 C THR A 2 -15.248 9.409 -1.626 1.00 0.00 C ATOM 16 O THR A 2 -16.026 10.101 -2.289 1.00 0.00 O ATOM 17 CB THR A 2 -15.298 7.021 -2.448 1.00 0.00 C ATOM 18 OG1 THR A 2 -13.938 7.176 -2.881 1.00 0.00 O ATOM 19 CG2 THR A 2 -16.241 7.284 -3.610 1.00 0.00 C ATOM 0 H THR A 2 -17.643 8.341 -1.379 1.00 0.00 H new ATOM 0 HA THR A 2 -14.949 7.663 -0.425 1.00 0.00 H new ATOM 0 HB THR A 2 -15.459 5.998 -2.108 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.764 6.574 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.009 6.603 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.270 7.125 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.122 8.313 -3.949 1.00 0.00 H new ATOM 27 N ALA A 3 -14.090 9.861 -1.161 1.00 0.00 N ATOM 28 CA ALA A 3 -13.605 11.202 -1.451 1.00 0.00 C ATOM 29 C ALA A 3 -12.085 11.186 -1.524 1.00 0.00 C ATOM 30 O ALA A 3 -11.417 12.189 -1.266 1.00 0.00 O ATOM 31 CB ALA A 3 -14.084 12.185 -0.390 1.00 0.00 C ATOM 0 H ALA A 3 -13.464 9.310 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.003 11.527 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.712 13.182 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.174 12.199 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.710 11.877 0.586 1.00 0.00 H new ATOM 37 N SER A 4 -11.548 10.026 -1.871 1.00 0.00 N ATOM 38 CA SER A 4 -10.113 9.828 -1.950 1.00 0.00 C ATOM 39 C SER A 4 -9.551 10.472 -3.217 1.00 0.00 C ATOM 40 O SER A 4 -10.074 10.261 -4.309 1.00 0.00 O ATOM 41 CB SER A 4 -9.824 8.329 -1.941 1.00 0.00 C ATOM 42 OG SER A 4 -10.441 7.711 -0.824 1.00 0.00 O ATOM 0 H SER A 4 -12.096 9.198 -2.105 1.00 0.00 H new ATOM 0 HA SER A 4 -9.632 10.300 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.190 7.877 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.748 8.160 -1.909 1.00 0.00 H new ATOM 0 HG SER A 4 -10.248 6.750 -0.834 1.00 0.00 H new ATOM 48 N PRO A 5 -8.486 11.285 -3.084 1.00 0.00 N ATOM 49 CA PRO A 5 -7.875 11.981 -4.209 1.00 0.00 C ATOM 50 C PRO A 5 -6.963 11.080 -5.033 1.00 0.00 C ATOM 51 O PRO A 5 -7.266 9.916 -5.281 1.00 0.00 O ATOM 52 CB PRO A 5 -7.052 13.065 -3.516 1.00 0.00 C ATOM 53 CG PRO A 5 -6.610 12.404 -2.267 1.00 0.00 C ATOM 54 CD PRO A 5 -7.801 11.617 -1.818 1.00 0.00 C ATOM 0 HA PRO A 5 -8.617 12.352 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.206 13.381 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.648 13.955 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.750 11.757 -2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.311 13.135 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.508 10.720 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.441 12.199 -1.155 1.00 0.00 H new ATOM 62 N GLN A 6 -5.819 11.616 -5.390 1.00 0.00 N ATOM 63 CA GLN A 6 -4.927 10.970 -6.355 1.00 0.00 C ATOM 64 C GLN A 6 -3.936 10.048 -5.664 1.00 0.00 C ATOM 65 O GLN A 6 -3.737 8.912 -6.074 1.00 0.00 O ATOM 66 CB GLN A 6 -4.170 12.014 -7.171 1.00 0.00 C ATOM 67 CG GLN A 6 -5.074 12.943 -7.960 1.00 0.00 C ATOM 68 CD GLN A 6 -4.293 13.972 -8.752 1.00 0.00 C ATOM 69 OE1 GLN A 6 -4.004 15.060 -8.261 1.00 0.00 O ATOM 70 NE2 GLN A 6 -3.948 13.636 -9.986 1.00 0.00 N ATOM 0 H GLN A 6 -5.472 12.505 -5.029 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.548 10.372 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.550 12.608 -6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.496 11.505 -7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.690 12.355 -8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.753 13.453 -7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.207 12.722 -10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.423 14.291 -10.565 1.00 0.00 H new ATOM 79 N LEU A 7 -3.324 10.556 -4.611 1.00 0.00 N ATOM 80 CA LEU A 7 -2.346 9.797 -3.836 1.00 0.00 C ATOM 81 C LEU A 7 -3.025 8.573 -3.239 1.00 0.00 C ATOM 82 O LEU A 7 -2.486 7.468 -3.250 1.00 0.00 O ATOM 83 CB LEU A 7 -1.746 10.689 -2.736 1.00 0.00 C ATOM 84 CG LEU A 7 -0.396 10.236 -2.164 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.564 8.971 -1.350 1.00 0.00 C ATOM 86 CD2 LEU A 7 0.618 10.028 -3.279 1.00 0.00 C ATOM 0 H LEU A 7 -3.486 11.502 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.533 9.466 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.629 11.696 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.462 10.753 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.021 11.020 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.403 8.664 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.253 9.157 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.963 8.180 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.568 9.707 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.252 9.264 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.761 10.963 -3.820 1.00 0.00 H new ATOM 98 N SER A 8 -4.227 8.776 -2.742 1.00 0.00 N ATOM 99 CA SER A 8 -5.017 7.693 -2.197 1.00 0.00 C ATOM 100 C SER A 8 -5.421 6.721 -3.307 1.00 0.00 C ATOM 101 O SER A 8 -5.677 5.543 -3.056 1.00 0.00 O ATOM 102 CB SER A 8 -6.240 8.273 -1.499 1.00 0.00 C ATOM 103 OG SER A 8 -7.020 7.263 -0.884 1.00 0.00 O ATOM 0 H SER A 8 -4.681 9.689 -2.704 1.00 0.00 H new ATOM 0 HA SER A 8 -4.428 7.135 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.922 8.995 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.850 8.814 -2.223 1.00 0.00 H new ATOM 0 HG SER A 8 -7.470 7.632 -0.096 1.00 0.00 H new ATOM 109 N SER A 9 -5.457 7.226 -4.533 1.00 0.00 N ATOM 110 CA SER A 9 -5.751 6.408 -5.698 1.00 0.00 C ATOM 111 C SER A 9 -4.591 5.470 -6.006 1.00 0.00 C ATOM 112 O SER A 9 -4.798 4.357 -6.498 1.00 0.00 O ATOM 113 CB SER A 9 -6.054 7.303 -6.905 1.00 0.00 C ATOM 114 OG SER A 9 -7.370 7.826 -6.835 1.00 0.00 O ATOM 0 H SER A 9 -5.284 8.209 -4.745 1.00 0.00 H new ATOM 0 HA SER A 9 -6.629 5.799 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.336 8.122 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.935 6.731 -7.825 1.00 0.00 H new ATOM 0 HG SER A 9 -7.441 8.430 -6.067 1.00 0.00 H new ATOM 120 N GLU A 10 -3.369 5.911 -5.708 1.00 0.00 N ATOM 121 CA GLU A 10 -2.197 5.074 -5.906 1.00 0.00 C ATOM 122 C GLU A 10 -2.344 3.817 -5.064 1.00 0.00 C ATOM 123 O GLU A 10 -2.143 2.691 -5.545 1.00 0.00 O ATOM 124 CB GLU A 10 -0.925 5.829 -5.510 1.00 0.00 C ATOM 125 CG GLU A 10 -0.843 7.250 -6.056 1.00 0.00 C ATOM 126 CD GLU A 10 -0.746 7.319 -7.570 1.00 0.00 C ATOM 127 OE1 GLU A 10 -1.077 6.322 -8.244 1.00 0.00 O ATOM 128 OE2 GLU A 10 -0.339 8.381 -8.086 1.00 0.00 O ATOM 0 H GLU A 10 -3.170 6.838 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.117 4.805 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.862 5.866 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.059 5.267 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.723 7.805 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.025 7.747 -5.622 1.00 0.00 H new ATOM 135 N ILE A 11 -2.721 4.031 -3.803 1.00 0.00 N ATOM 136 CA ILE A 11 -3.024 2.951 -2.875 1.00 0.00 C ATOM 137 C ILE A 11 -4.106 2.045 -3.438 1.00 0.00 C ATOM 138 O ILE A 11 -3.919 0.834 -3.542 1.00 0.00 O ATOM 139 CB ILE A 11 -3.502 3.499 -1.512 1.00 0.00 C ATOM 140 CG1 ILE A 11 -2.356 4.187 -0.788 1.00 0.00 C ATOM 141 CG2 ILE A 11 -4.085 2.390 -0.663 1.00 0.00 C ATOM 142 CD1 ILE A 11 -2.796 5.019 0.396 1.00 0.00 C ATOM 0 H ILE A 11 -2.824 4.962 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.103 2.385 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.287 4.234 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.648 3.432 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.825 4.827 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.415 2.798 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.935 1.944 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.326 1.628 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.924 5.479 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.480 5.798 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.301 4.381 1.121 1.00 0.00 H new ATOM 154 N GLU A 12 -5.225 2.648 -3.818 1.00 0.00 N ATOM 155 CA GLU A 12 -6.369 1.896 -4.308 1.00 0.00 C ATOM 156 C GLU A 12 -6.009 1.029 -5.512 1.00 0.00 C ATOM 157 O GLU A 12 -6.653 0.008 -5.758 1.00 0.00 O ATOM 158 CB GLU A 12 -7.520 2.838 -4.652 1.00 0.00 C ATOM 159 CG GLU A 12 -8.164 3.461 -3.428 1.00 0.00 C ATOM 160 CD GLU A 12 -8.844 2.434 -2.544 1.00 0.00 C ATOM 161 OE1 GLU A 12 -8.160 1.827 -1.697 1.00 0.00 O ATOM 162 OE2 GLU A 12 -10.069 2.234 -2.699 1.00 0.00 O ATOM 0 H GLU A 12 -5.363 3.658 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.686 1.227 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.151 3.630 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.276 2.289 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.404 3.987 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.896 4.204 -3.745 1.00 0.00 H new ATOM 169 N ASN A 13 -4.981 1.425 -6.258 1.00 0.00 N ATOM 170 CA ASN A 13 -4.528 0.629 -7.389 1.00 0.00 C ATOM 171 C ASN A 13 -3.944 -0.708 -6.945 1.00 0.00 C ATOM 172 O ASN A 13 -4.363 -1.751 -7.437 1.00 0.00 O ATOM 173 CB ASN A 13 -3.514 1.389 -8.240 1.00 0.00 C ATOM 174 CG ASN A 13 -2.786 0.480 -9.216 1.00 0.00 C ATOM 175 OD1 ASN A 13 -1.668 0.042 -8.948 1.00 0.00 O ATOM 176 ND2 ASN A 13 -3.418 0.161 -10.333 1.00 0.00 N ATOM 0 H ASN A 13 -4.453 2.283 -6.100 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.408 0.428 -8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.025 2.177 -8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.788 1.875 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.979 -0.468 -11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.345 0.543 -10.522 1.00 0.00 H new ATOM 183 N LEU A 14 -3.005 -0.703 -5.991 1.00 0.00 N ATOM 184 CA LEU A 14 -2.433 -1.978 -5.555 1.00 0.00 C ATOM 185 C LEU A 14 -3.384 -2.665 -4.582 1.00 0.00 C ATOM 186 O LEU A 14 -3.334 -3.881 -4.391 1.00 0.00 O ATOM 187 CB LEU A 14 -0.977 -1.906 -5.006 1.00 0.00 C ATOM 188 CG LEU A 14 -0.655 -1.012 -3.801 1.00 0.00 C ATOM 189 CD1 LEU A 14 -0.924 0.437 -4.110 1.00 0.00 C ATOM 190 CD2 LEU A 14 -1.401 -1.466 -2.568 1.00 0.00 C ATOM 0 H LEU A 14 -2.640 0.128 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.329 -2.584 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.678 -2.921 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.336 -1.586 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 14 0.410 -1.108 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.686 1.045 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.305 0.751 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.976 0.565 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.152 -0.813 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.474 -1.423 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.116 -2.490 -2.327 1.00 0.00 H new ATOM 202 N MET A 15 -4.243 -1.864 -3.959 1.00 0.00 N ATOM 203 CA MET A 15 -5.287 -2.361 -3.076 1.00 0.00 C ATOM 204 C MET A 15 -6.151 -3.416 -3.760 1.00 0.00 C ATOM 205 O MET A 15 -6.534 -4.410 -3.147 1.00 0.00 O ATOM 206 CB MET A 15 -6.171 -1.204 -2.629 1.00 0.00 C ATOM 207 CG MET A 15 -5.832 -0.658 -1.258 1.00 0.00 C ATOM 208 SD MET A 15 -5.908 -1.933 0.018 1.00 0.00 S ATOM 209 CE MET A 15 -7.580 -2.542 -0.203 1.00 0.00 C ATOM 0 H MET A 15 -4.233 -0.849 -4.054 1.00 0.00 H new ATOM 0 HA MET A 15 -4.803 -2.823 -2.216 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.092 -0.398 -3.359 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.210 -1.534 -2.630 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.832 -0.225 -1.278 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.523 0.147 -1.008 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.966 -2.899 0.752 1.00 0.00 H new ATOM 0 HE2 MET A 15 -8.215 -1.737 -0.573 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.577 -3.361 -0.922 1.00 0.00 H new ATOM 219 N SER A 16 -6.439 -3.203 -5.040 1.00 0.00 N ATOM 220 CA SER A 16 -7.305 -4.107 -5.790 1.00 0.00 C ATOM 221 C SER A 16 -6.624 -5.439 -6.082 1.00 0.00 C ATOM 222 O SER A 16 -7.229 -6.347 -6.656 1.00 0.00 O ATOM 223 CB SER A 16 -7.761 -3.447 -7.071 1.00 0.00 C ATOM 224 OG SER A 16 -8.526 -2.288 -6.789 1.00 0.00 O ATOM 0 H SER A 16 -6.086 -2.413 -5.580 1.00 0.00 H new ATOM 0 HA SER A 16 -8.176 -4.322 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.895 -3.180 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.356 -4.148 -7.656 1.00 0.00 H new ATOM 0 HG SER A 16 -7.933 -1.571 -6.481 1.00 0.00 H new ATOM 230 N GLN A 17 -5.364 -5.558 -5.684 1.00 0.00 N ATOM 231 CA GLN A 17 -4.653 -6.816 -5.790 1.00 0.00 C ATOM 232 C GLN A 17 -4.892 -7.644 -4.537 1.00 0.00 C ATOM 233 O GLN A 17 -4.677 -8.853 -4.527 1.00 0.00 O ATOM 234 CB GLN A 17 -3.161 -6.564 -6.005 1.00 0.00 C ATOM 235 CG GLN A 17 -2.882 -5.756 -7.270 1.00 0.00 C ATOM 236 CD GLN A 17 -1.443 -5.314 -7.415 1.00 0.00 C ATOM 237 OE1 GLN A 17 -0.792 -5.044 -6.304 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -0.928 -5.197 -8.526 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.817 -4.795 -5.285 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.026 -7.372 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.757 -6.034 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.639 -7.519 -6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.156 -6.355 -8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.524 -4.875 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.467 -5.417 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.038 -4.880 -8.610 1.00 0.00 H new ATOM 247 N GLY A 18 -5.367 -6.983 -3.487 1.00 0.00 N ATOM 248 CA GLY A 18 -5.697 -7.675 -2.257 1.00 0.00 C ATOM 249 C GLY A 18 -4.802 -7.279 -1.105 1.00 0.00 C ATOM 250 O GLY A 18 -4.988 -7.745 0.022 1.00 0.00 O ATOM 0 H GLY A 18 -5.530 -5.976 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.734 -7.466 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.620 -8.750 -2.418 1.00 0.00 H new ATOM 254 N TYR A 19 -3.830 -6.421 -1.380 1.00 0.00 N ATOM 255 CA TYR A 19 -2.850 -6.014 -0.376 1.00 0.00 C ATOM 256 C TYR A 19 -3.508 -5.310 0.815 1.00 0.00 C ATOM 257 O TYR A 19 -4.685 -4.949 0.772 1.00 0.00 O ATOM 258 CB TYR A 19 -1.790 -5.128 -1.024 1.00 0.00 C ATOM 259 CG TYR A 19 -0.774 -5.916 -1.816 1.00 0.00 C ATOM 260 CD1 TYR A 19 0.302 -6.516 -1.182 1.00 0.00 C ATOM 261 CD2 TYR A 19 -0.896 -6.072 -3.189 1.00 0.00 C ATOM 262 CE1 TYR A 19 1.234 -7.244 -1.891 1.00 0.00 C ATOM 263 CE2 TYR A 19 0.033 -6.800 -3.907 1.00 0.00 C ATOM 264 CZ TYR A 19 1.094 -7.384 -3.255 1.00 0.00 C ATOM 265 OH TYR A 19 2.021 -8.113 -3.965 1.00 0.00 O ATOM 0 H TYR A 19 -3.696 -5.990 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.372 -6.911 0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.277 -4.408 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.277 -4.557 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.413 -6.412 -0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.729 -5.618 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.069 -7.702 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.073 -6.910 -4.976 1.00 0.00 H new ATOM 0 HH TYR A 19 1.777 -8.116 -4.914 1.00 0.00 H new ATOM 275 N SER A 20 -2.735 -5.116 1.877 1.00 0.00 N ATOM 276 CA SER A 20 -3.286 -4.673 3.155 1.00 0.00 C ATOM 277 C SER A 20 -2.809 -3.276 3.532 1.00 0.00 C ATOM 278 O SER A 20 -1.623 -2.960 3.430 1.00 0.00 O ATOM 279 CB SER A 20 -2.891 -5.665 4.243 1.00 0.00 C ATOM 280 OG SER A 20 -3.406 -6.953 3.956 1.00 0.00 O ATOM 0 H SER A 20 -1.725 -5.258 1.880 1.00 0.00 H new ATOM 0 HA SER A 20 -4.371 -4.631 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.805 -5.712 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.267 -5.324 5.207 1.00 0.00 H new ATOM 0 HG SER A 20 -3.141 -7.577 4.664 1.00 0.00 H new ATOM 286 N TYR A 21 -3.761 -2.464 4.009 1.00 0.00 N ATOM 287 CA TYR A 21 -3.530 -1.050 4.309 1.00 0.00 C ATOM 288 C TYR A 21 -2.441 -0.856 5.353 1.00 0.00 C ATOM 289 O TYR A 21 -1.699 0.121 5.298 1.00 0.00 O ATOM 290 CB TYR A 21 -4.814 -0.385 4.811 1.00 0.00 C ATOM 291 CG TYR A 21 -5.820 -0.038 3.733 1.00 0.00 C ATOM 292 CD1 TYR A 21 -5.642 1.081 2.926 1.00 0.00 C ATOM 293 CD2 TYR A 21 -6.957 -0.813 3.537 1.00 0.00 C ATOM 294 CE1 TYR A 21 -6.566 1.413 1.952 1.00 0.00 C ATOM 295 CE2 TYR A 21 -7.887 -0.483 2.569 1.00 0.00 C ATOM 296 CZ TYR A 21 -7.686 0.631 1.779 1.00 0.00 C ATOM 297 OH TYR A 21 -8.614 0.966 0.821 1.00 0.00 O ATOM 0 H TYR A 21 -4.715 -2.772 4.197 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.207 -0.585 3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.291 -1.049 5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.548 0.527 5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.768 1.701 3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.116 -1.687 4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.410 2.282 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.767 -1.094 2.431 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.153 1.245 0.002 1.00 0.00 H new ATOM 307 N GLN A 22 -2.365 -1.772 6.309 1.00 0.00 N ATOM 308 CA GLN A 22 -1.355 -1.710 7.362 1.00 0.00 C ATOM 309 C GLN A 22 0.051 -1.594 6.773 1.00 0.00 C ATOM 310 O GLN A 22 0.825 -0.712 7.147 1.00 0.00 O ATOM 311 CB GLN A 22 -1.465 -2.945 8.263 1.00 0.00 C ATOM 312 CG GLN A 22 -1.495 -4.263 7.502 1.00 0.00 C ATOM 313 CD GLN A 22 -1.704 -5.462 8.402 1.00 0.00 C ATOM 314 OE1 GLN A 22 -0.749 -6.042 8.919 1.00 0.00 O ATOM 315 NE2 GLN A 22 -2.958 -5.844 8.590 1.00 0.00 N ATOM 0 H GLN A 22 -2.994 -2.572 6.379 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.536 -0.818 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.622 -2.955 8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.370 -2.864 8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.293 -4.229 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.558 -4.383 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.719 -5.334 8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.163 -6.648 9.183 1.00 0.00 H new ATOM 324 N ASP A 23 0.363 -2.477 5.841 1.00 0.00 N ATOM 325 CA ASP A 23 1.664 -2.478 5.189 1.00 0.00 C ATOM 326 C ASP A 23 1.702 -1.459 4.056 1.00 0.00 C ATOM 327 O ASP A 23 2.764 -0.959 3.702 1.00 0.00 O ATOM 328 CB ASP A 23 1.990 -3.868 4.660 1.00 0.00 C ATOM 329 CG ASP A 23 2.008 -4.918 5.755 1.00 0.00 C ATOM 330 OD1 ASP A 23 3.002 -4.988 6.505 1.00 0.00 O ATOM 331 OD2 ASP A 23 1.024 -5.670 5.877 1.00 0.00 O ATOM 0 H ASP A 23 -0.270 -3.208 5.516 1.00 0.00 H new ATOM 0 HA ASP A 23 2.416 -2.198 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.255 -4.147 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.961 -3.846 4.166 1.00 0.00 H new ATOM 336 N ILE A 24 0.541 -1.169 3.482 1.00 0.00 N ATOM 337 CA ILE A 24 0.423 -0.131 2.459 1.00 0.00 C ATOM 338 C ILE A 24 0.851 1.218 3.020 1.00 0.00 C ATOM 339 O ILE A 24 1.663 1.928 2.425 1.00 0.00 O ATOM 340 CB ILE A 24 -1.028 -0.027 1.940 1.00 0.00 C ATOM 341 CG1 ILE A 24 -1.340 -1.188 0.996 1.00 0.00 C ATOM 342 CG2 ILE A 24 -1.291 1.315 1.264 1.00 0.00 C ATOM 343 CD1 ILE A 24 -2.779 -1.229 0.552 1.00 0.00 C ATOM 0 H ILE A 24 -0.336 -1.638 3.707 1.00 0.00 H new ATOM 0 HA ILE A 24 1.076 -0.406 1.631 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.696 -0.090 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.699 -1.115 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.094 -2.126 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.322 1.349 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.124 2.121 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.615 1.435 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.930 -2.077 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.426 -1.333 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.024 -0.306 0.027 1.00 0.00 H new ATOM 355 N GLN A 25 0.298 1.557 4.172 1.00 0.00 N ATOM 356 CA GLN A 25 0.638 2.794 4.846 1.00 0.00 C ATOM 357 C GLN A 25 2.108 2.753 5.244 1.00 0.00 C ATOM 358 O GLN A 25 2.818 3.755 5.177 1.00 0.00 O ATOM 359 CB GLN A 25 -0.263 2.971 6.069 1.00 0.00 C ATOM 360 CG GLN A 25 -0.545 4.419 6.438 1.00 0.00 C ATOM 361 CD GLN A 25 0.569 5.071 7.229 1.00 0.00 C ATOM 362 OE1 GLN A 25 1.458 5.705 6.669 1.00 0.00 O ATOM 363 NE2 GLN A 25 0.519 4.928 8.542 1.00 0.00 N ATOM 0 H GLN A 25 -0.393 0.987 4.661 1.00 0.00 H new ATOM 0 HA GLN A 25 0.481 3.645 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.210 2.465 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.201 2.475 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.715 4.991 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.466 4.464 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.237 4.393 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.237 5.353 9.129 1.00 0.00 H new ATOM 372 N LYS A 26 2.566 1.559 5.612 1.00 0.00 N ATOM 373 CA LYS A 26 3.963 1.336 5.945 1.00 0.00 C ATOM 374 C LYS A 26 4.841 1.695 4.755 1.00 0.00 C ATOM 375 O LYS A 26 5.856 2.373 4.889 1.00 0.00 O ATOM 376 CB LYS A 26 4.184 -0.127 6.289 1.00 0.00 C ATOM 377 CG LYS A 26 5.270 -0.344 7.315 1.00 0.00 C ATOM 378 CD LYS A 26 6.045 -1.615 7.034 1.00 0.00 C ATOM 379 CE LYS A 26 5.137 -2.813 6.818 1.00 0.00 C ATOM 380 NZ LYS A 26 4.330 -3.141 8.023 1.00 0.00 N ATOM 0 H LYS A 26 1.981 0.727 5.686 1.00 0.00 H new ATOM 0 HA LYS A 26 4.223 1.961 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.251 -0.550 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.439 -0.672 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.950 0.508 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.828 -0.397 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.667 -1.470 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.718 -1.818 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.469 -2.612 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.741 -3.678 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.679 -3.922 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.963 -3.426 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.783 -2.305 8.312 1.00 0.00 H new ATOM 394 N ALA A 27 4.430 1.226 3.586 1.00 0.00 N ATOM 395 CA ALA A 27 5.139 1.496 2.349 1.00 0.00 C ATOM 396 C ALA A 27 5.241 2.988 2.097 1.00 0.00 C ATOM 397 O ALA A 27 6.277 3.478 1.672 1.00 0.00 O ATOM 398 CB ALA A 27 4.439 0.827 1.184 1.00 0.00 C ATOM 0 H ALA A 27 3.597 0.649 3.471 1.00 0.00 H new ATOM 0 HA ALA A 27 6.146 1.090 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.982 1.038 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.408 -0.250 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.422 1.211 1.102 1.00 0.00 H new ATOM 404 N LEU A 28 4.166 3.705 2.377 1.00 0.00 N ATOM 405 CA LEU A 28 4.118 5.137 2.142 1.00 0.00 C ATOM 406 C LEU A 28 5.156 5.880 2.976 1.00 0.00 C ATOM 407 O LEU A 28 5.794 6.807 2.486 1.00 0.00 O ATOM 408 CB LEU A 28 2.728 5.672 2.458 1.00 0.00 C ATOM 409 CG LEU A 28 1.615 5.163 1.544 1.00 0.00 C ATOM 410 CD1 LEU A 28 0.272 5.373 2.207 1.00 0.00 C ATOM 411 CD2 LEU A 28 1.662 5.872 0.199 1.00 0.00 C ATOM 0 H LEU A 28 3.309 3.315 2.770 1.00 0.00 H new ATOM 0 HA LEU A 28 4.347 5.306 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.480 5.411 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.753 6.760 2.403 1.00 0.00 H new ATOM 0 HG LEU A 28 1.761 4.097 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.519 5.008 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.242 4.827 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.123 6.436 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.862 5.496 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.534 6.944 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.624 5.684 -0.278 1.00 0.00 H new ATOM 423 N VAL A 29 5.339 5.467 4.224 1.00 0.00 N ATOM 424 CA VAL A 29 6.246 6.176 5.119 1.00 0.00 C ATOM 425 C VAL A 29 7.697 6.032 4.665 1.00 0.00 C ATOM 426 O VAL A 29 8.501 6.947 4.850 1.00 0.00 O ATOM 427 CB VAL A 29 6.097 5.721 6.592 1.00 0.00 C ATOM 428 CG1 VAL A 29 4.632 5.654 6.991 1.00 0.00 C ATOM 429 CG2 VAL A 29 6.779 4.388 6.844 1.00 0.00 C ATOM 0 H VAL A 29 4.878 4.656 4.636 1.00 0.00 H new ATOM 0 HA VAL A 29 5.967 7.229 5.071 1.00 0.00 H new ATOM 0 HB VAL A 29 6.594 6.467 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.552 5.332 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.179 6.639 6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.112 4.942 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.651 4.105 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.335 3.625 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.842 4.475 6.620 1.00 0.00 H new ATOM 439 N ILE A 30 8.027 4.901 4.050 1.00 0.00 N ATOM 440 CA ILE A 30 9.363 4.693 3.524 1.00 0.00 C ATOM 441 C ILE A 30 9.444 5.268 2.118 1.00 0.00 C ATOM 442 O ILE A 30 10.498 5.723 1.662 1.00 0.00 O ATOM 443 CB ILE A 30 9.771 3.183 3.578 1.00 0.00 C ATOM 444 CG1 ILE A 30 10.912 2.849 2.598 1.00 0.00 C ATOM 445 CG2 ILE A 30 8.569 2.269 3.346 1.00 0.00 C ATOM 446 CD1 ILE A 30 10.445 2.509 1.201 1.00 0.00 C ATOM 0 H ILE A 30 7.387 4.120 3.906 1.00 0.00 H new ATOM 0 HA ILE A 30 10.084 5.219 4.150 1.00 0.00 H new ATOM 0 HB ILE A 30 10.147 3.000 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.592 3.699 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.482 2.009 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.889 1.228 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.819 2.451 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.139 2.475 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.308 2.286 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.789 1.639 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.901 3.356 0.783 1.00 0.00 H new ATOM 458 N ALA A 31 8.301 5.291 1.456 1.00 0.00 N ATOM 459 CA ALA A 31 8.219 5.755 0.087 1.00 0.00 C ATOM 460 C ALA A 31 7.903 7.229 -0.004 1.00 0.00 C ATOM 461 O ALA A 31 7.536 7.688 -1.067 1.00 0.00 O ATOM 462 CB ALA A 31 7.151 4.994 -0.672 1.00 0.00 C ATOM 0 H ALA A 31 7.410 4.990 1.851 1.00 0.00 H new ATOM 0 HA ALA A 31 9.201 5.580 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.105 5.358 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.393 3.931 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.185 5.145 -0.190 1.00 0.00 H new ATOM 468 N GLN A 32 8.019 7.953 1.116 1.00 0.00 N ATOM 469 CA GLN A 32 7.650 9.378 1.192 1.00 0.00 C ATOM 470 C GLN A 32 6.339 9.659 0.453 1.00 0.00 C ATOM 471 O GLN A 32 6.206 10.658 -0.259 1.00 0.00 O ATOM 472 CB GLN A 32 8.794 10.321 0.730 1.00 0.00 C ATOM 473 CG GLN A 32 9.609 9.883 -0.490 1.00 0.00 C ATOM 474 CD GLN A 32 9.071 10.399 -1.818 1.00 0.00 C ATOM 475 OE1 GLN A 32 9.381 11.517 -2.236 1.00 0.00 O ATOM 476 NE2 GLN A 32 8.307 9.574 -2.512 1.00 0.00 N ATOM 0 H GLN A 32 8.370 7.572 1.995 1.00 0.00 H new ATOM 0 HA GLN A 32 7.484 9.601 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.361 11.298 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.481 10.454 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.636 10.226 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.639 8.794 -0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.072 8.657 -2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.953 9.855 -3.426 1.00 0.00 H new ATOM 485 N ASN A 33 5.369 8.767 0.672 1.00 0.00 N ATOM 486 CA ASN A 33 4.074 8.795 -0.009 1.00 0.00 C ATOM 487 C ASN A 33 4.258 8.788 -1.522 1.00 0.00 C ATOM 488 O ASN A 33 3.790 9.686 -2.221 1.00 0.00 O ATOM 489 CB ASN A 33 3.237 10.008 0.417 1.00 0.00 C ATOM 490 CG ASN A 33 2.738 9.914 1.850 1.00 0.00 C ATOM 491 OD1 ASN A 33 3.392 9.339 2.719 1.00 0.00 O ATOM 492 ND2 ASN A 33 1.564 10.474 2.103 1.00 0.00 N ATOM 0 H ASN A 33 5.463 7.997 1.335 1.00 0.00 H new ATOM 0 HA ASN A 33 3.534 7.895 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.835 10.912 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.383 10.106 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.174 10.437 3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.051 10.942 1.356 1.00 0.00 H new ATOM 499 N ASN A 34 4.950 7.770 -2.022 1.00 0.00 N ATOM 500 CA ASN A 34 5.191 7.641 -3.455 1.00 0.00 C ATOM 501 C ASN A 34 4.089 6.844 -4.106 1.00 0.00 C ATOM 502 O ASN A 34 3.449 6.010 -3.470 1.00 0.00 O ATOM 503 CB ASN A 34 6.506 6.921 -3.758 1.00 0.00 C ATOM 504 CG ASN A 34 7.274 7.553 -4.908 1.00 0.00 C ATOM 505 OD1 ASN A 34 6.681 8.078 -5.849 1.00 0.00 O ATOM 506 ND2 ASN A 34 8.595 7.496 -4.841 1.00 0.00 N ATOM 0 H ASN A 34 5.354 7.023 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 34 5.232 8.657 -3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.131 6.925 -2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.297 5.878 -3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.161 7.897 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.046 7.051 -4.042 1.00 0.00 H new ATOM 513 N ILE A 35 3.890 7.091 -5.379 1.00 0.00 N ATOM 514 CA ILE A 35 3.036 6.256 -6.186 1.00 0.00 C ATOM 515 C ILE A 35 3.663 4.872 -6.347 1.00 0.00 C ATOM 516 O ILE A 35 3.154 3.870 -5.833 1.00 0.00 O ATOM 517 CB ILE A 35 2.814 6.914 -7.564 1.00 0.00 C ATOM 518 CG1 ILE A 35 2.324 5.903 -8.601 1.00 0.00 C ATOM 519 CG2 ILE A 35 4.095 7.602 -8.025 1.00 0.00 C ATOM 520 CD1 ILE A 35 1.992 6.551 -9.915 1.00 0.00 C ATOM 0 H ILE A 35 4.313 7.872 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 35 2.070 6.144 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 35 2.031 7.665 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.091 5.144 -8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.442 5.391 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.930 8.064 -8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.377 8.368 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.895 6.866 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.649 5.792 -10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.206 7.291 -9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.880 7.040 -10.314 1.00 0.00 H new ATOM 532 N GLU A 36 4.804 4.847 -7.017 1.00 0.00 N ATOM 533 CA GLU A 36 5.489 3.615 -7.351 1.00 0.00 C ATOM 534 C GLU A 36 6.109 2.977 -6.120 1.00 0.00 C ATOM 535 O GLU A 36 5.894 1.803 -5.849 1.00 0.00 O ATOM 536 CB GLU A 36 6.582 3.905 -8.373 1.00 0.00 C ATOM 537 CG GLU A 36 6.078 4.581 -9.634 1.00 0.00 C ATOM 538 CD GLU A 36 7.206 5.149 -10.462 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.876 4.374 -11.175 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.437 6.373 -10.391 1.00 0.00 O ATOM 0 H GLU A 36 5.281 5.687 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 36 4.759 2.920 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.340 4.538 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.070 2.969 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.517 3.862 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.387 5.380 -9.365 1.00 0.00 H new ATOM 547 N MET A 37 6.845 3.769 -5.359 1.00 0.00 N ATOM 548 CA MET A 37 7.687 3.227 -4.297 1.00 0.00 C ATOM 549 C MET A 37 6.851 2.514 -3.233 1.00 0.00 C ATOM 550 O MET A 37 7.270 1.504 -2.682 1.00 0.00 O ATOM 551 CB MET A 37 8.556 4.332 -3.673 1.00 0.00 C ATOM 552 CG MET A 37 9.656 3.815 -2.749 1.00 0.00 C ATOM 553 SD MET A 37 11.049 3.066 -3.631 1.00 0.00 S ATOM 554 CE MET A 37 10.402 1.441 -4.033 1.00 0.00 C ATOM 0 H MET A 37 6.879 4.784 -5.453 1.00 0.00 H new ATOM 0 HA MET A 37 8.351 2.486 -4.741 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.013 4.915 -4.473 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.914 5.010 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.024 4.640 -2.139 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.230 3.079 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.142 0.682 -3.781 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.490 1.262 -3.464 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.180 1.391 -5.099 1.00 0.00 H new ATOM 564 N ALA A 38 5.658 3.027 -2.979 1.00 0.00 N ATOM 565 CA ALA A 38 4.753 2.418 -2.014 1.00 0.00 C ATOM 566 C ALA A 38 4.206 1.081 -2.514 1.00 0.00 C ATOM 567 O ALA A 38 4.313 0.063 -1.832 1.00 0.00 O ATOM 568 CB ALA A 38 3.615 3.370 -1.719 1.00 0.00 C ATOM 0 H ALA A 38 5.292 3.866 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 38 5.314 2.219 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.937 2.914 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.014 4.297 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.073 3.585 -2.640 1.00 0.00 H new ATOM 574 N LYS A 39 3.641 1.078 -3.718 1.00 0.00 N ATOM 575 CA LYS A 39 3.083 -0.152 -4.281 1.00 0.00 C ATOM 576 C LYS A 39 4.183 -1.170 -4.551 1.00 0.00 C ATOM 577 O LYS A 39 3.956 -2.382 -4.492 1.00 0.00 O ATOM 578 CB LYS A 39 2.284 0.135 -5.551 1.00 0.00 C ATOM 579 CG LYS A 39 3.062 0.892 -6.600 1.00 0.00 C ATOM 580 CD LYS A 39 2.231 1.214 -7.837 1.00 0.00 C ATOM 581 CE LYS A 39 1.016 2.069 -7.508 1.00 0.00 C ATOM 582 NZ LYS A 39 -0.171 1.253 -7.158 1.00 0.00 N ATOM 0 H LYS A 39 3.557 1.899 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 39 2.399 -0.576 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.942 -0.809 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.394 0.707 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.436 1.820 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.931 0.304 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.853 1.735 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.904 0.285 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.256 2.732 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.779 2.703 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.777 1.785 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.707 1.031 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.137 0.369 -6.705 1.00 0.00 H new ATOM 596 N ASN A 40 5.378 -0.673 -4.828 1.00 0.00 N ATOM 597 CA ASN A 40 6.515 -1.534 -5.113 1.00 0.00 C ATOM 598 C ASN A 40 7.068 -2.155 -3.839 1.00 0.00 C ATOM 599 O ASN A 40 7.550 -3.279 -3.864 1.00 0.00 O ATOM 600 CB ASN A 40 7.616 -0.765 -5.847 1.00 0.00 C ATOM 601 CG ASN A 40 7.278 -0.521 -7.307 1.00 0.00 C ATOM 602 OD1 ASN A 40 6.514 -1.273 -7.915 1.00 0.00 O ATOM 603 ND2 ASN A 40 7.859 0.518 -7.884 1.00 0.00 N ATOM 0 H ASN A 40 5.586 0.325 -4.862 1.00 0.00 H new ATOM 0 HA ASN A 40 6.163 -2.337 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.780 0.191 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.550 -1.323 -5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.681 0.721 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.485 1.116 -7.345 1.00 0.00 H new ATOM 610 N ILE A 41 6.989 -1.433 -2.725 1.00 0.00 N ATOM 611 CA ILE A 41 7.434 -1.970 -1.449 1.00 0.00 C ATOM 612 C ILE A 41 6.531 -3.101 -0.984 1.00 0.00 C ATOM 613 O ILE A 41 7.011 -4.083 -0.438 1.00 0.00 O ATOM 614 CB ILE A 41 7.566 -0.869 -0.371 1.00 0.00 C ATOM 615 CG1 ILE A 41 8.845 -0.080 -0.624 1.00 0.00 C ATOM 616 CG2 ILE A 41 7.577 -1.450 1.042 1.00 0.00 C ATOM 617 CD1 ILE A 41 10.098 -0.939 -0.588 1.00 0.00 C ATOM 0 H ILE A 41 6.623 -0.482 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 41 8.431 -2.383 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 41 6.698 -0.214 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.776 0.409 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.932 0.708 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.671 -0.642 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.648 -1.991 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.420 -2.133 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.972 -0.315 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.190 -1.407 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.032 -1.711 -1.354 1.00 0.00 H new ATOM 629 N LEU A 42 5.226 -2.977 -1.204 1.00 0.00 N ATOM 630 CA LEU A 42 4.330 -4.101 -0.937 1.00 0.00 C ATOM 631 C LEU A 42 4.798 -5.302 -1.751 1.00 0.00 C ATOM 632 O LEU A 42 5.017 -6.378 -1.216 1.00 0.00 O ATOM 633 CB LEU A 42 2.868 -3.784 -1.289 1.00 0.00 C ATOM 634 CG LEU A 42 2.111 -2.831 -0.344 1.00 0.00 C ATOM 635 CD1 LEU A 42 0.989 -3.569 0.346 1.00 0.00 C ATOM 636 CD2 LEU A 42 3.021 -2.217 0.702 1.00 0.00 C ATOM 0 H LEU A 42 4.772 -2.134 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 42 4.366 -4.313 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.846 -3.355 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.319 -4.724 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 42 1.711 -2.024 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.460 -2.887 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.296 -3.958 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.400 -4.396 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.442 -1.553 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.467 -3.008 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.810 -1.648 0.209 1.00 0.00 H new ATOM 648 N ARG A 43 4.984 -5.068 -3.042 1.00 0.00 N ATOM 649 CA ARG A 43 5.517 -6.064 -3.968 1.00 0.00 C ATOM 650 C ARG A 43 6.780 -6.735 -3.420 1.00 0.00 C ATOM 651 O ARG A 43 6.899 -7.963 -3.414 1.00 0.00 O ATOM 652 CB ARG A 43 5.834 -5.376 -5.291 1.00 0.00 C ATOM 653 CG ARG A 43 6.650 -6.216 -6.247 1.00 0.00 C ATOM 654 CD ARG A 43 6.865 -5.485 -7.549 1.00 0.00 C ATOM 655 NE ARG A 43 7.877 -4.431 -7.437 1.00 0.00 N ATOM 656 CZ ARG A 43 8.604 -3.986 -8.464 1.00 0.00 C ATOM 657 NH1 ARG A 43 8.446 -4.508 -9.675 1.00 0.00 N ATOM 658 NH2 ARG A 43 9.505 -3.027 -8.283 1.00 0.00 N ATOM 0 H ARG A 43 4.768 -4.174 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 43 4.768 -6.844 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.898 -5.099 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.373 -4.451 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.613 -6.457 -5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.140 -7.161 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.169 -6.197 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.922 -5.047 -7.876 1.00 0.00 H new ATOM 0 HE ARG A 43 8.035 -4.013 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.766 -5.253 -9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.005 -4.163 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.644 -2.627 -7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.058 -2.691 -9.072 1.00 0.00 H new ATOM 672 N GLU A 44 7.706 -5.909 -2.959 1.00 0.00 N ATOM 673 CA GLU A 44 9.013 -6.367 -2.486 1.00 0.00 C ATOM 674 C GLU A 44 8.958 -6.974 -1.083 1.00 0.00 C ATOM 675 O GLU A 44 9.810 -7.782 -0.716 1.00 0.00 O ATOM 676 CB GLU A 44 9.992 -5.193 -2.498 1.00 0.00 C ATOM 677 CG GLU A 44 10.273 -4.666 -3.892 1.00 0.00 C ATOM 678 CD GLU A 44 11.358 -3.611 -3.913 1.00 0.00 C ATOM 679 OE1 GLU A 44 12.544 -3.981 -4.051 1.00 0.00 O ATOM 680 OE2 GLU A 44 11.038 -2.413 -3.799 1.00 0.00 O ATOM 0 H GLU A 44 7.577 -4.899 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 44 9.346 -7.155 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.590 -4.386 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.930 -5.505 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.566 -5.495 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.357 -4.247 -4.308 1.00 0.00 H new ATOM 687 N PHE A 45 7.963 -6.587 -0.306 1.00 0.00 N ATOM 688 CA PHE A 45 7.913 -6.946 1.108 1.00 0.00 C ATOM 689 C PHE A 45 6.724 -7.837 1.459 1.00 0.00 C ATOM 690 O PHE A 45 6.870 -9.042 1.676 1.00 0.00 O ATOM 691 CB PHE A 45 7.867 -5.670 1.956 1.00 0.00 C ATOM 692 CG PHE A 45 9.221 -5.175 2.370 1.00 0.00 C ATOM 693 CD1 PHE A 45 9.951 -4.338 1.541 1.00 0.00 C ATOM 694 CD2 PHE A 45 9.764 -5.544 3.591 1.00 0.00 C ATOM 695 CE1 PHE A 45 11.196 -3.880 1.921 1.00 0.00 C ATOM 696 CE2 PHE A 45 11.011 -5.088 3.975 1.00 0.00 C ATOM 697 CZ PHE A 45 11.727 -4.254 3.139 1.00 0.00 C ATOM 0 H PHE A 45 7.176 -6.023 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 45 8.813 -7.521 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.360 -4.887 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.270 -5.858 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.541 -4.041 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.207 -6.194 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.755 -3.229 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.425 -5.384 4.928 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.701 -3.895 3.438 1.00 0.00 H new ATOM 707 N VAL A 46 5.558 -7.225 1.528 1.00 0.00 N ATOM 708 CA VAL A 46 4.363 -7.869 2.040 1.00 0.00 C ATOM 709 C VAL A 46 3.616 -8.654 0.960 1.00 0.00 C ATOM 710 O VAL A 46 3.479 -8.214 -0.174 1.00 0.00 O ATOM 711 CB VAL A 46 3.443 -6.809 2.696 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.746 -5.426 2.142 1.00 0.00 C ATOM 713 CG2 VAL A 46 1.966 -7.141 2.511 1.00 0.00 C ATOM 0 H VAL A 46 5.412 -6.261 1.229 1.00 0.00 H new ATOM 0 HA VAL A 46 4.669 -8.597 2.792 1.00 0.00 H new ATOM 0 HB VAL A 46 3.649 -6.818 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.091 -4.694 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.785 -5.170 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.580 -5.421 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.358 -6.372 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.733 -7.182 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.750 -8.107 2.967 1.00 0.00 H new ATOM 723 N SER A 47 3.150 -9.828 1.333 1.00 0.00 N ATOM 724 CA SER A 47 2.351 -10.653 0.449 1.00 0.00 C ATOM 725 C SER A 47 0.896 -10.603 0.888 1.00 0.00 C ATOM 726 O SER A 47 0.570 -10.006 1.914 1.00 0.00 O ATOM 727 CB SER A 47 2.860 -12.090 0.455 1.00 0.00 C ATOM 728 OG SER A 47 4.256 -12.134 0.203 1.00 0.00 O ATOM 0 H SER A 47 3.313 -10.236 2.253 1.00 0.00 H new ATOM 0 HA SER A 47 2.432 -10.269 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.646 -12.552 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.331 -12.670 -0.301 1.00 0.00 H new ATOM 0 HG SER A 47 4.561 -13.065 0.213 1.00 0.00 H new ATOM 734 N ILE A 48 0.028 -11.218 0.112 1.00 0.00 N ATOM 735 CA ILE A 48 -1.397 -11.106 0.346 1.00 0.00 C ATOM 736 C ILE A 48 -1.928 -12.273 1.170 1.00 0.00 C ATOM 737 O ILE A 48 -1.728 -13.435 0.821 1.00 0.00 O ATOM 738 CB ILE A 48 -2.148 -11.030 -0.989 1.00 0.00 C ATOM 739 CG1 ILE A 48 -1.222 -10.447 -2.061 1.00 0.00 C ATOM 740 CG2 ILE A 48 -3.397 -10.188 -0.832 1.00 0.00 C ATOM 741 CD1 ILE A 48 -1.913 -10.130 -3.366 1.00 0.00 C ATOM 0 H ILE A 48 0.284 -11.800 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.565 -10.190 0.913 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.452 -12.030 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.764 -9.537 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.415 -11.154 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.925 -10.139 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.046 -10.637 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.120 -9.181 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.189 -9.722 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.347 -11.041 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.702 -9.398 -3.192 1.00 0.00 H new ATOM 753 N SER A 49 -2.607 -11.942 2.264 1.00 0.00 N ATOM 754 CA SER A 49 -3.181 -12.939 3.169 1.00 0.00 C ATOM 755 C SER A 49 -4.393 -13.623 2.538 1.00 0.00 C ATOM 756 O SER A 49 -4.819 -14.693 2.976 1.00 0.00 O ATOM 757 CB SER A 49 -3.598 -12.272 4.483 1.00 0.00 C ATOM 758 OG SER A 49 -2.560 -11.450 4.990 1.00 0.00 O ATOM 0 H SER A 49 -2.776 -10.978 2.550 1.00 0.00 H new ATOM 0 HA SER A 49 -2.420 -13.695 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.494 -11.673 4.322 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.853 -13.036 5.217 1.00 0.00 H new ATOM 0 HG SER A 49 -2.852 -11.034 5.828 1.00 0.00 H new ATOM 764 N SER A 50 -4.944 -12.990 1.512 1.00 0.00 N ATOM 765 CA SER A 50 -6.106 -13.516 0.817 1.00 0.00 C ATOM 766 C SER A 50 -5.688 -14.690 -0.071 1.00 0.00 C ATOM 767 O SER A 50 -4.624 -14.650 -0.696 1.00 0.00 O ATOM 768 CB SER A 50 -6.753 -12.405 -0.022 1.00 0.00 C ATOM 769 OG SER A 50 -7.979 -12.823 -0.593 1.00 0.00 O ATOM 0 H SER A 50 -4.600 -12.104 1.141 1.00 0.00 H new ATOM 0 HA SER A 50 -6.836 -13.873 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.924 -11.529 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.068 -12.102 -0.814 1.00 0.00 H new ATOM 0 HG SER A 50 -8.362 -12.090 -1.118 1.00 0.00 H new ATOM 775 N PRO A 51 -6.504 -15.758 -0.121 1.00 0.00 N ATOM 776 CA PRO A 51 -6.234 -16.930 -0.967 1.00 0.00 C ATOM 777 C PRO A 51 -6.483 -16.645 -2.450 1.00 0.00 C ATOM 778 O PRO A 51 -7.153 -17.414 -3.143 1.00 0.00 O ATOM 779 CB PRO A 51 -7.223 -17.973 -0.446 1.00 0.00 C ATOM 780 CG PRO A 51 -8.355 -17.177 0.106 1.00 0.00 C ATOM 781 CD PRO A 51 -7.750 -15.915 0.655 1.00 0.00 C ATOM 0 HA PRO A 51 -5.192 -17.246 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.557 -18.636 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.769 -18.601 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.088 -16.953 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.876 -17.731 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.415 -15.061 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.549 -15.999 1.723 1.00 0.00 H new ATOM 789 N ALA A 52 -5.938 -15.534 -2.924 1.00 0.00 N ATOM 790 CA ALA A 52 -6.107 -15.120 -4.305 1.00 0.00 C ATOM 791 C ALA A 52 -5.262 -15.980 -5.231 1.00 0.00 C ATOM 792 O ALA A 52 -4.028 -15.920 -5.203 1.00 0.00 O ATOM 793 CB ALA A 52 -5.746 -13.650 -4.463 1.00 0.00 C ATOM 0 H ALA A 52 -5.370 -14.899 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.154 -15.252 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.877 -13.353 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.395 -13.046 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.707 -13.497 -4.170 1.00 0.00 H new ATOM 799 N HIS A 53 -5.929 -16.793 -6.034 1.00 0.00 N ATOM 800 CA HIS A 53 -5.246 -17.646 -6.995 1.00 0.00 C ATOM 801 C HIS A 53 -4.954 -16.872 -8.271 1.00 0.00 C ATOM 802 O HIS A 53 -5.642 -15.906 -8.594 1.00 0.00 O ATOM 803 CB HIS A 53 -6.078 -18.895 -7.300 1.00 0.00 C ATOM 804 CG HIS A 53 -6.181 -19.829 -6.136 1.00 0.00 C ATOM 805 ND1 HIS A 53 -7.379 -20.272 -5.622 1.00 0.00 N ATOM 806 CD2 HIS A 53 -5.215 -20.394 -5.374 1.00 0.00 C ATOM 807 CE1 HIS A 53 -7.145 -21.063 -4.591 1.00 0.00 C ATOM 808 NE2 HIS A 53 -5.839 -21.154 -4.418 1.00 0.00 N ATOM 0 H HIS A 53 -6.945 -16.881 -6.040 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.300 -17.968 -6.559 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.080 -18.592 -7.605 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.634 -19.423 -8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.149 -20.269 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.896 -21.554 -3.990 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.372 -21.699 -3.693 1.00 0.00 H new ATOM 817 N VAL A 54 -3.938 -17.309 -8.999 1.00 0.00 N ATOM 818 CA VAL A 54 -3.475 -16.586 -10.176 1.00 0.00 C ATOM 819 C VAL A 54 -4.114 -17.131 -11.448 1.00 0.00 C ATOM 820 O VAL A 54 -3.539 -17.057 -12.532 1.00 0.00 O ATOM 821 CB VAL A 54 -1.935 -16.635 -10.296 1.00 0.00 C ATOM 822 CG1 VAL A 54 -1.287 -15.862 -9.157 1.00 0.00 C ATOM 823 CG2 VAL A 54 -1.435 -18.073 -10.315 1.00 0.00 C ATOM 0 H VAL A 54 -3.417 -18.162 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.780 -15.547 -10.054 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.654 -16.166 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.203 -15.907 -9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.612 -14.822 -9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.582 -16.302 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.348 -18.079 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.730 -18.573 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.869 -18.598 -11.166 1.00 0.00 H new ATOM 833 N ALA A 55 -5.316 -17.664 -11.308 1.00 0.00 N ATOM 834 CA ALA A 55 -6.050 -18.200 -12.440 1.00 0.00 C ATOM 835 C ALA A 55 -7.490 -17.704 -12.419 1.00 0.00 C ATOM 836 O ALA A 55 -8.372 -18.354 -11.853 1.00 0.00 O ATOM 837 CB ALA A 55 -6.002 -19.719 -12.428 1.00 0.00 C ATOM 0 H ALA A 55 -5.806 -17.737 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.581 -17.850 -13.360 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.556 -20.107 -13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.965 -20.051 -12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.450 -20.090 -11.506 1.00 0.00 H new ATOM 843 N THR A 56 -7.718 -16.545 -13.015 1.00 0.00 N ATOM 844 CA THR A 56 -9.036 -15.937 -13.032 1.00 0.00 C ATOM 845 C THR A 56 -9.518 -15.751 -14.474 1.00 0.00 C ATOM 846 O THR A 56 -10.552 -16.357 -14.832 1.00 0.00 O ATOM 847 CB THR A 56 -9.046 -14.591 -12.254 1.00 0.00 C ATOM 848 OG1 THR A 56 -10.359 -14.009 -12.254 1.00 0.00 O ATOM 849 CG2 THR A 56 -8.045 -13.595 -12.830 1.00 0.00 C ATOM 850 OXT THR A 56 -8.831 -15.064 -15.260 1.00 0.00 O ATOM 0 H THR A 56 -7.000 -16.004 -13.497 1.00 0.00 H new ATOM 0 HA THR A 56 -9.729 -16.608 -12.525 1.00 0.00 H new ATOM 0 HB THR A 56 -8.752 -14.816 -11.229 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.342 -13.164 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.084 -12.668 -12.258 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.041 -14.015 -12.773 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.294 -13.389 -13.871 1.00 0.00 H new TER 858 THR A 56