USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 Single : A 3 THR OG1 : rot -109:sc= 1.07 USER MOD Single : A 4 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.13) USER MOD Single : A 16 ASN : amide:sc= -9.45! C(o=-9.4!,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.092) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 84:sc= 0.566 USER MOD Single : A 33 THR OG1 : rot 28:sc= 0.441 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -150:sc= -0.289 USER MOD Single : A 43 MET CE :methyl 161:sc= -7.39! (180deg=-8.24!) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0.753) USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= 0.87 (180deg=0.545) USER MOD Single : A 65 ASN : amide:sc= 0.415 X(o=0.41,f=-0.0024) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.21) USER MOD Single : A 68 THR OG1 : rot -93:sc= 1.86 USER MOD Single : A 73 THR OG1 : rot 90:sc= 0.224 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= -0.017 (180deg=-0.113) USER MOD Single : A 75 TYR OH : rot 26:sc= 0.357 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.77! K(o=-2.8!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.284 -8.346 0.762 1.00 0.54 N ATOM 24 CA THR A 3 10.093 -8.337 -0.667 1.00 0.48 C ATOM 25 C THR A 3 8.597 -8.370 -0.994 1.00 0.35 C ATOM 26 O THR A 3 7.786 -8.451 -0.075 1.00 0.35 O ATOM 27 CB THR A 3 10.958 -9.440 -1.380 1.00 0.59 C ATOM 28 OG1 THR A 3 10.639 -9.590 -2.772 1.00 0.66 O ATOM 29 CG2 THR A 3 10.876 -10.772 -0.665 1.00 0.66 C ATOM 0 HA THR A 3 10.470 -7.403 -1.083 1.00 0.48 H new ATOM 0 HB THR A 3 11.988 -9.087 -1.325 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.182 -10.445 -2.913 1.00 0.66 H new ATOM 0 HG21 THR A 3 11.488 -11.505 -1.190 1.00 0.66 H new ATOM 0 HG22 THR A 3 11.241 -10.660 0.356 1.00 0.66 H new ATOM 0 HG23 THR A 3 9.840 -11.111 -0.645 1.00 0.66 H new ATOM 37 N GLN A 4 8.232 -8.289 -2.272 1.00 0.32 N ATOM 38 CA GLN A 4 6.816 -8.229 -2.706 1.00 0.28 C ATOM 39 C GLN A 4 5.947 -9.279 -2.061 1.00 0.27 C ATOM 40 O GLN A 4 4.813 -8.975 -1.673 1.00 0.26 O ATOM 41 CB GLN A 4 6.671 -8.253 -4.239 1.00 0.33 C ATOM 42 CG GLN A 4 5.215 -8.215 -4.770 1.00 0.37 C ATOM 43 CD GLN A 4 4.608 -9.588 -5.072 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.739 -10.087 -6.184 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.919 -10.190 -4.127 1.00 0.48 N ATOM 0 H GLN A 4 8.899 -8.262 -3.043 1.00 0.32 H new ATOM 0 HA GLN A 4 6.451 -7.264 -2.354 1.00 0.28 H new ATOM 0 HB2 GLN A 4 7.212 -7.402 -4.652 1.00 0.33 H new ATOM 0 HB3 GLN A 4 7.155 -9.153 -4.619 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.588 -7.709 -4.036 1.00 0.37 H new ATOM 0 HG3 GLN A 4 5.190 -7.614 -5.679 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.824 -9.755 -3.209 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.480 -11.092 -4.312 1.00 0.48 H new ATOM 54 N GLU A 5 6.478 -10.486 -1.928 1.00 0.33 N ATOM 55 CA GLU A 5 5.769 -11.614 -1.332 1.00 0.40 C ATOM 56 C GLU A 5 5.293 -11.260 0.079 1.00 0.39 C ATOM 57 O GLU A 5 4.229 -11.680 0.513 1.00 0.55 O ATOM 58 CB GLU A 5 6.653 -12.879 -1.269 1.00 0.57 C ATOM 59 CG GLU A 5 7.357 -13.268 -2.574 1.00 0.85 C ATOM 60 CD GLU A 5 8.679 -12.550 -2.781 1.00 1.88 C ATOM 61 OE1 GLU A 5 8.664 -11.360 -3.134 1.00 2.66 O ATOM 62 OE2 GLU A 5 9.753 -13.162 -2.613 1.00 2.37 O ATOM 0 H GLU A 5 7.424 -10.714 -2.234 1.00 0.33 H new ATOM 0 HA GLU A 5 4.910 -11.827 -1.969 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.411 -12.731 -0.500 1.00 0.57 H new ATOM 0 HB3 GLU A 5 6.033 -13.717 -0.949 1.00 0.57 H new ATOM 0 HG2 GLU A 5 7.531 -14.344 -2.578 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.697 -13.049 -3.414 1.00 0.85 H new ATOM 69 N GLU A 6 6.080 -10.459 0.753 1.00 0.36 N ATOM 70 CA GLU A 6 5.785 -10.011 2.083 1.00 0.42 C ATOM 71 C GLU A 6 4.916 -8.743 2.026 1.00 0.32 C ATOM 72 O GLU A 6 3.993 -8.583 2.818 1.00 0.37 O ATOM 73 CB GLU A 6 7.099 -9.677 2.803 1.00 0.55 C ATOM 74 CG GLU A 6 6.960 -9.407 4.290 1.00 0.82 C ATOM 75 CD GLU A 6 6.542 -10.626 5.057 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.282 -11.646 5.061 1.00 2.73 O ATOM 77 OE2 GLU A 6 5.465 -10.605 5.670 1.00 2.05 O ATOM 0 H GLU A 6 6.958 -10.096 0.382 1.00 0.36 H new ATOM 0 HA GLU A 6 5.250 -10.797 2.617 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.795 -10.504 2.662 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.544 -8.802 2.329 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.911 -9.044 4.681 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.228 -8.615 4.446 1.00 0.82 H new ATOM 84 N ILE A 7 5.200 -7.869 1.049 1.00 0.21 N ATOM 85 CA ILE A 7 4.571 -6.557 0.963 1.00 0.16 C ATOM 86 C ILE A 7 3.083 -6.665 0.691 1.00 0.14 C ATOM 87 O ILE A 7 2.291 -6.307 1.518 1.00 0.18 O ATOM 88 CB ILE A 7 5.221 -5.719 -0.156 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.705 -5.534 0.124 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.537 -4.357 -0.255 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.460 -4.910 -1.016 1.00 0.23 C ATOM 0 H ILE A 7 5.870 -8.057 0.303 1.00 0.21 H new ATOM 0 HA ILE A 7 4.717 -6.070 1.927 1.00 0.16 H new ATOM 0 HB ILE A 7 5.102 -6.245 -1.103 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.824 -4.912 1.011 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.146 -6.504 0.353 1.00 0.18 H new ATOM 0 HG21 ILE A 7 5.003 -3.773 -1.048 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.480 -4.496 -0.480 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.639 -3.829 0.693 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.511 -4.809 -0.745 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.372 -5.542 -1.900 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.045 -3.925 -1.232 1.00 0.23 H new ATOM 103 N VAL A 8 2.724 -7.159 -0.457 1.00 0.13 N ATOM 104 CA VAL A 8 1.319 -7.293 -0.841 1.00 0.15 C ATOM 105 C VAL A 8 0.549 -8.124 0.163 1.00 0.18 C ATOM 106 O VAL A 8 -0.566 -7.760 0.544 1.00 0.25 O ATOM 107 CB VAL A 8 1.182 -7.877 -2.257 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.272 -7.983 -2.687 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.968 -7.047 -3.233 1.00 0.17 C ATOM 0 H VAL A 8 3.383 -7.485 -1.164 1.00 0.13 H new ATOM 0 HA VAL A 8 0.886 -6.293 -0.847 1.00 0.15 H new ATOM 0 HB VAL A 8 1.586 -8.889 -2.244 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.325 -8.400 -3.693 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.809 -8.633 -1.996 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.726 -6.992 -2.681 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.866 -7.467 -4.233 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.590 -6.025 -3.229 1.00 0.17 H new ATOM 0 HG23 VAL A 8 3.019 -7.046 -2.946 1.00 0.17 H new ATOM 119 N ALA A 9 1.155 -9.194 0.605 1.00 0.18 N ATOM 120 CA ALA A 9 0.555 -10.053 1.590 1.00 0.22 C ATOM 121 C ALA A 9 0.241 -9.286 2.880 1.00 0.21 C ATOM 122 O ALA A 9 -0.817 -9.473 3.474 1.00 0.27 O ATOM 123 CB ALA A 9 1.455 -11.228 1.883 1.00 0.26 C ATOM 0 H ALA A 9 2.078 -9.494 0.292 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.386 -10.424 1.182 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.986 -11.868 2.630 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.619 -11.798 0.968 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.411 -10.868 2.262 1.00 0.26 H new ATOM 129 N GLY A 10 1.139 -8.385 3.259 1.00 0.18 N ATOM 130 CA GLY A 10 0.998 -7.641 4.459 1.00 0.18 C ATOM 131 C GLY A 10 0.130 -6.444 4.305 1.00 0.15 C ATOM 132 O GLY A 10 -0.663 -6.122 5.194 1.00 0.16 O ATOM 0 H GLY A 10 1.981 -8.165 2.726 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.582 -8.286 5.233 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.984 -7.326 4.802 1.00 0.18 H new ATOM 136 N LEU A 11 0.259 -5.797 3.172 1.00 0.14 N ATOM 137 CA LEU A 11 -0.458 -4.616 2.864 1.00 0.13 C ATOM 138 C LEU A 11 -1.920 -4.935 2.806 1.00 0.14 C ATOM 139 O LEU A 11 -2.732 -4.184 3.316 1.00 0.16 O ATOM 140 CB LEU A 11 0.028 -4.080 1.540 1.00 0.13 C ATOM 141 CG LEU A 11 0.458 -2.618 1.523 1.00 0.15 C ATOM 142 CD1 LEU A 11 1.091 -2.271 0.195 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.723 -1.723 1.782 1.00 0.20 C ATOM 0 H LEU A 11 0.888 -6.099 2.428 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.296 -3.857 3.630 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.871 -4.689 1.212 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.766 -4.212 0.805 1.00 0.13 H new ATOM 0 HG LEU A 11 1.194 -2.465 2.312 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.393 -1.224 0.198 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.966 -2.900 0.034 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.371 -2.439 -0.606 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.401 -0.682 1.767 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.476 -1.881 1.010 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.150 -1.957 2.757 1.00 0.20 H new ATOM 155 N ALA A 12 -2.235 -6.092 2.220 1.00 0.12 N ATOM 156 CA ALA A 12 -3.586 -6.585 2.151 1.00 0.13 C ATOM 157 C ALA A 12 -4.188 -6.614 3.535 1.00 0.11 C ATOM 158 O ALA A 12 -5.235 -6.031 3.762 1.00 0.13 O ATOM 159 CB ALA A 12 -3.602 -7.980 1.566 1.00 0.14 C ATOM 0 H ALA A 12 -1.548 -6.706 1.782 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.171 -5.923 1.512 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.629 -8.343 1.519 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.178 -7.958 0.562 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.011 -8.645 2.195 1.00 0.14 H new ATOM 165 N GLU A 13 -3.460 -7.221 4.464 1.00 0.12 N ATOM 166 CA GLU A 13 -3.893 -7.386 5.845 1.00 0.13 C ATOM 167 C GLU A 13 -4.107 -6.064 6.528 1.00 0.15 C ATOM 168 O GLU A 13 -5.068 -5.895 7.284 1.00 0.19 O ATOM 169 CB GLU A 13 -2.917 -8.245 6.601 1.00 0.18 C ATOM 170 CG GLU A 13 -2.782 -9.609 5.983 1.00 0.23 C ATOM 171 CD GLU A 13 -1.730 -10.440 6.642 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.574 -9.983 6.745 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.031 -11.549 7.102 1.00 0.68 O ATOM 0 H GLU A 13 -2.539 -7.618 4.276 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.858 -7.892 5.834 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.943 -7.757 6.622 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.246 -8.345 7.635 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.739 -10.127 6.044 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.544 -9.502 4.925 1.00 0.23 H new ATOM 180 N ILE A 14 -3.243 -5.128 6.240 1.00 0.14 N ATOM 181 CA ILE A 14 -3.381 -3.768 6.748 1.00 0.17 C ATOM 182 C ILE A 14 -4.713 -3.170 6.263 1.00 0.18 C ATOM 183 O ILE A 14 -5.490 -2.634 7.044 1.00 0.22 O ATOM 184 CB ILE A 14 -2.210 -2.907 6.244 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.908 -3.440 6.811 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.402 -1.455 6.645 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.308 -2.996 6.074 1.00 0.25 C ATOM 0 H ILE A 14 -2.424 -5.274 5.650 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.370 -3.785 7.838 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.177 -2.958 5.156 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.823 -3.126 7.851 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.943 -4.529 6.808 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.563 -0.863 6.279 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.329 -1.078 6.213 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.452 -1.381 7.731 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.194 -3.422 6.545 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.249 -3.333 5.039 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.371 -1.908 6.098 1.00 0.25 H new ATOM 199 N VAL A 15 -5.002 -3.366 4.991 1.00 0.15 N ATOM 200 CA VAL A 15 -6.182 -2.804 4.350 1.00 0.17 C ATOM 201 C VAL A 15 -7.448 -3.452 4.916 1.00 0.18 C ATOM 202 O VAL A 15 -8.543 -2.861 4.914 1.00 0.22 O ATOM 203 CB VAL A 15 -6.127 -3.004 2.806 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.311 -2.402 2.130 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.882 -2.405 2.234 1.00 0.23 C ATOM 0 H VAL A 15 -4.421 -3.924 4.365 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.203 -1.734 4.557 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.130 -4.079 2.627 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.236 -2.562 1.054 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.221 -2.871 2.504 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.343 -1.332 2.336 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.867 -2.558 1.155 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -4.860 -1.337 2.450 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.010 -2.883 2.680 1.00 0.23 H new ATOM 215 N ASN A 16 -7.284 -4.648 5.428 1.00 0.16 N ATOM 216 CA ASN A 16 -8.393 -5.391 6.031 1.00 0.20 C ATOM 217 C ASN A 16 -8.760 -4.756 7.355 1.00 0.25 C ATOM 218 O ASN A 16 -9.926 -4.661 7.711 1.00 0.34 O ATOM 219 CB ASN A 16 -8.048 -6.871 6.315 1.00 0.20 C ATOM 220 CG ASN A 16 -7.395 -7.627 5.210 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.643 -8.551 5.453 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.683 -7.285 4.013 1.00 0.27 N ATOM 0 H ASN A 16 -6.391 -5.141 5.445 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.212 -5.357 5.313 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.394 -6.907 7.186 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.968 -7.389 6.586 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.278 -7.792 3.226 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.318 -6.505 3.844 1.00 0.27 H new ATOM 229 N GLU A 17 -7.754 -4.323 8.075 1.00 0.26 N ATOM 230 CA GLU A 17 -7.944 -3.757 9.395 1.00 0.35 C ATOM 231 C GLU A 17 -8.349 -2.300 9.317 1.00 0.38 C ATOM 232 O GLU A 17 -9.315 -1.880 9.945 1.00 0.47 O ATOM 233 CB GLU A 17 -6.664 -3.897 10.220 1.00 0.41 C ATOM 234 CG GLU A 17 -6.187 -5.328 10.358 1.00 0.46 C ATOM 235 CD GLU A 17 -7.238 -6.225 10.946 1.00 1.22 C ATOM 236 OE1 GLU A 17 -7.454 -6.183 12.166 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.860 -7.004 10.207 1.00 2.07 O ATOM 0 H GLU A 17 -6.782 -4.351 7.767 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.749 -4.308 9.881 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.876 -3.303 9.757 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.834 -3.482 11.213 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.895 -5.707 9.379 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.298 -5.353 10.988 1.00 0.46 H new ATOM 244 N ILE A 18 -7.618 -1.543 8.533 1.00 0.32 N ATOM 245 CA ILE A 18 -7.855 -0.114 8.400 1.00 0.38 C ATOM 246 C ILE A 18 -9.245 0.148 7.811 1.00 0.39 C ATOM 247 O ILE A 18 -10.045 0.881 8.385 1.00 0.43 O ATOM 248 CB ILE A 18 -6.796 0.511 7.470 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.379 0.244 7.992 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.033 1.999 7.343 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.035 0.931 9.287 1.00 0.58 C ATOM 0 H ILE A 18 -6.844 -1.893 7.969 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.792 0.335 9.391 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.888 0.048 6.487 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.254 -0.831 8.124 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.663 0.557 7.232 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.280 2.432 6.684 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.025 2.175 6.926 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -6.965 2.464 8.327 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.013 0.680 9.572 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.121 2.010 9.161 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.721 0.601 10.067 1.00 0.58 H new ATOM 263 N ALA A 19 -9.528 -0.463 6.693 1.00 0.39 N ATOM 264 CA ALA A 19 -10.801 -0.271 6.057 1.00 0.44 C ATOM 265 C ALA A 19 -11.667 -1.492 6.285 1.00 0.41 C ATOM 266 O ALA A 19 -12.506 -1.513 7.181 1.00 0.54 O ATOM 267 CB ALA A 19 -10.617 0.015 4.573 1.00 0.48 C ATOM 0 H ALA A 19 -8.895 -1.097 6.205 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.301 0.593 6.495 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.592 0.158 4.106 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.019 0.918 4.448 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.108 -0.826 4.101 1.00 0.48 H new ATOM 273 N GLY A 20 -11.404 -2.521 5.531 1.00 0.34 N ATOM 274 CA GLY A 20 -12.149 -3.743 5.669 1.00 0.33 C ATOM 275 C GLY A 20 -12.179 -4.527 4.399 1.00 0.32 C ATOM 276 O GLY A 20 -13.227 -4.991 3.969 1.00 0.43 O ATOM 0 H GLY A 20 -10.679 -2.540 4.814 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.707 -4.350 6.459 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.169 -3.513 5.977 1.00 0.33 H new ATOM 280 N ILE A 21 -11.037 -4.652 3.785 1.00 0.27 N ATOM 281 CA ILE A 21 -10.897 -5.430 2.571 1.00 0.26 C ATOM 282 C ILE A 21 -10.786 -6.909 2.937 1.00 0.25 C ATOM 283 O ILE A 21 -10.364 -7.222 4.025 1.00 0.24 O ATOM 284 CB ILE A 21 -9.681 -4.907 1.722 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.136 -3.843 0.701 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.838 -6.006 1.062 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.812 -2.620 1.300 1.00 0.29 C ATOM 0 H ILE A 21 -10.171 -4.220 4.107 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.778 -5.314 1.939 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.007 -4.440 2.440 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.267 -3.515 0.130 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.824 -4.310 -0.004 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -8.024 -5.551 0.498 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.426 -6.660 1.831 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.465 -6.589 0.387 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.094 -1.933 0.502 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.704 -2.928 1.846 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.123 -2.121 1.982 1.00 0.29 H new ATOM 299 N PRO A 22 -11.196 -7.825 2.057 1.00 0.29 N ATOM 300 CA PRO A 22 -11.176 -9.275 2.334 1.00 0.35 C ATOM 301 C PRO A 22 -9.832 -9.975 2.055 1.00 0.45 C ATOM 302 O PRO A 22 -9.822 -11.165 1.800 1.00 1.08 O ATOM 303 CB PRO A 22 -12.205 -9.816 1.345 1.00 0.37 C ATOM 304 CG PRO A 22 -12.830 -8.623 0.696 1.00 0.44 C ATOM 305 CD PRO A 22 -11.821 -7.555 0.760 1.00 0.34 C ATOM 0 HA PRO A 22 -11.368 -9.455 3.392 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.731 -10.459 0.603 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.956 -10.419 1.856 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -13.105 -8.839 -0.336 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.743 -8.330 1.214 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -11.106 -7.615 -0.061 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.270 -6.563 0.719 1.00 0.34 H new ATOM 313 N VAL A 23 -8.735 -9.222 2.067 1.00 0.39 N ATOM 314 CA VAL A 23 -7.307 -9.696 1.863 1.00 0.32 C ATOM 315 C VAL A 23 -7.024 -10.409 0.505 1.00 0.42 C ATOM 316 O VAL A 23 -5.883 -10.579 0.119 1.00 0.81 O ATOM 317 CB VAL A 23 -6.749 -10.551 3.081 1.00 0.31 C ATOM 318 CG1 VAL A 23 -7.273 -11.975 3.120 1.00 0.41 C ATOM 319 CG2 VAL A 23 -5.236 -10.536 3.168 1.00 0.33 C ATOM 0 H VAL A 23 -8.785 -8.215 2.224 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.748 -8.761 1.822 1.00 0.32 H new ATOM 0 HB VAL A 23 -7.140 -10.046 3.965 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.848 -12.496 3.978 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -8.360 -11.961 3.206 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.988 -12.493 2.204 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.915 -11.137 4.019 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.815 -10.950 2.252 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.889 -9.511 3.296 1.00 0.33 H new ATOM 329 N GLU A 24 -8.051 -10.702 -0.233 1.00 0.33 N ATOM 330 CA GLU A 24 -7.925 -11.476 -1.464 1.00 0.40 C ATOM 331 C GLU A 24 -8.030 -10.589 -2.678 1.00 0.34 C ATOM 332 O GLU A 24 -7.810 -11.018 -3.799 1.00 0.44 O ATOM 333 CB GLU A 24 -9.033 -12.532 -1.510 1.00 0.57 C ATOM 334 CG GLU A 24 -10.444 -11.940 -1.512 1.00 1.36 C ATOM 335 CD GLU A 24 -11.525 -12.983 -1.505 1.00 1.86 C ATOM 336 OE1 GLU A 24 -11.942 -13.441 -2.589 1.00 2.20 O ATOM 337 OE2 GLU A 24 -11.996 -13.349 -0.415 1.00 2.31 O ATOM 0 H GLU A 24 -9.006 -10.419 -0.013 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.945 -11.954 -1.473 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.903 -13.144 -2.403 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.927 -13.195 -0.651 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -10.562 -11.298 -0.639 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -10.564 -11.308 -2.392 1.00 1.36 H new ATOM 344 N ASP A 25 -8.351 -9.348 -2.442 1.00 0.28 N ATOM 345 CA ASP A 25 -8.656 -8.447 -3.538 1.00 0.29 C ATOM 346 C ASP A 25 -7.471 -7.584 -3.860 1.00 0.25 C ATOM 347 O ASP A 25 -7.377 -6.986 -4.931 1.00 0.28 O ATOM 348 CB ASP A 25 -9.809 -7.572 -3.121 1.00 0.35 C ATOM 349 CG ASP A 25 -10.508 -6.932 -4.289 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.885 -7.635 -5.231 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.646 -5.697 -4.299 1.00 1.57 O ATOM 0 H ASP A 25 -8.410 -8.932 -1.513 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.910 -9.027 -4.425 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.526 -8.168 -2.557 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.444 -6.794 -2.451 1.00 0.35 H new ATOM 356 N VAL A 26 -6.562 -7.552 -2.931 1.00 0.23 N ATOM 357 CA VAL A 26 -5.397 -6.678 -2.999 1.00 0.22 C ATOM 358 C VAL A 26 -4.348 -7.258 -3.949 1.00 0.25 C ATOM 359 O VAL A 26 -3.490 -8.036 -3.542 1.00 0.30 O ATOM 360 CB VAL A 26 -4.790 -6.477 -1.584 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.758 -5.372 -1.563 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.874 -6.188 -0.577 1.00 0.27 C ATOM 0 H VAL A 26 -6.596 -8.131 -2.092 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.714 -5.709 -3.383 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.289 -7.407 -1.315 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.359 -5.266 -0.554 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.948 -5.618 -2.249 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -4.222 -4.435 -1.871 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.428 -6.050 0.408 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.405 -5.281 -0.865 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.573 -7.024 -0.545 1.00 0.27 H new ATOM 372 N LYS A 27 -4.500 -6.950 -5.223 1.00 0.28 N ATOM 373 CA LYS A 27 -3.596 -7.404 -6.255 1.00 0.35 C ATOM 374 C LYS A 27 -2.907 -6.221 -6.819 1.00 0.37 C ATOM 375 O LYS A 27 -3.470 -5.155 -6.846 1.00 0.72 O ATOM 376 CB LYS A 27 -4.348 -8.159 -7.375 1.00 0.40 C ATOM 377 CG LYS A 27 -4.489 -9.672 -7.170 1.00 0.83 C ATOM 378 CD LYS A 27 -5.052 -10.013 -5.814 1.00 1.13 C ATOM 379 CE LYS A 27 -5.217 -11.510 -5.621 1.00 1.15 C ATOM 380 NZ LYS A 27 -6.232 -12.093 -6.529 1.00 1.58 N ATOM 0 H LYS A 27 -5.264 -6.371 -5.571 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.877 -8.098 -5.820 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.345 -7.729 -7.474 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.830 -7.984 -8.318 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.137 -10.083 -7.944 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -3.514 -10.145 -7.286 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -4.394 -9.619 -5.040 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -6.018 -9.524 -5.690 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.259 -12.002 -5.789 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.501 -11.710 -4.588 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -6.429 -13.074 -6.246 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -7.108 -11.535 -6.475 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -5.873 -12.080 -7.505 1.00 1.58 H new ATOM 394 N LEU A 28 -1.712 -6.389 -7.255 1.00 0.24 N ATOM 395 CA LEU A 28 -0.956 -5.323 -7.820 1.00 0.22 C ATOM 396 C LEU A 28 -1.684 -4.770 -9.034 1.00 0.23 C ATOM 397 O LEU A 28 -2.315 -5.527 -9.783 1.00 0.31 O ATOM 398 CB LEU A 28 0.457 -5.769 -8.194 1.00 0.27 C ATOM 399 CG LEU A 28 1.394 -6.171 -7.044 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.144 -7.590 -6.555 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.831 -5.978 -7.443 1.00 1.05 C ATOM 0 H LEU A 28 -1.221 -7.283 -7.231 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.857 -4.538 -7.070 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.375 -6.616 -8.875 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.931 -4.959 -8.749 1.00 0.27 H new ATOM 0 HG LEU A 28 1.174 -5.512 -6.204 1.00 0.43 H new ATOM 0 HD11 LEU A 28 1.833 -7.822 -5.743 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.118 -7.676 -6.196 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.301 -8.291 -7.375 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.480 -6.268 -6.617 1.00 1.05 H new ATOM 0 HD22 LEU A 28 3.053 -6.596 -8.313 1.00 1.05 H new ATOM 0 HD23 LEU A 28 3.003 -4.930 -7.689 1.00 1.05 H new ATOM 413 N ASP A 29 -1.640 -3.444 -9.153 1.00 0.24 N ATOM 414 CA ASP A 29 -2.325 -2.646 -10.208 1.00 0.31 C ATOM 415 C ASP A 29 -3.751 -2.314 -9.758 1.00 0.28 C ATOM 416 O ASP A 29 -4.537 -1.701 -10.462 1.00 0.38 O ATOM 417 CB ASP A 29 -2.260 -3.325 -11.612 1.00 0.42 C ATOM 418 CG ASP A 29 -2.943 -2.561 -12.735 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.466 -1.455 -13.093 1.00 0.72 O ATOM 420 OD2 ASP A 29 -3.976 -3.035 -13.265 1.00 0.70 O ATOM 0 H ASP A 29 -1.112 -2.861 -8.503 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.789 -1.705 -10.336 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.213 -3.471 -11.878 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -2.712 -4.314 -11.540 1.00 0.42 H new ATOM 425 N LYS A 30 -4.041 -2.647 -8.516 1.00 0.19 N ATOM 426 CA LYS A 30 -5.331 -2.364 -7.947 1.00 0.20 C ATOM 427 C LYS A 30 -5.218 -1.217 -7.043 1.00 0.20 C ATOM 428 O LYS A 30 -4.378 -1.192 -6.146 1.00 0.24 O ATOM 429 CB LYS A 30 -5.908 -3.491 -7.156 1.00 0.28 C ATOM 430 CG LYS A 30 -6.278 -4.733 -7.941 1.00 0.36 C ATOM 431 CD LYS A 30 -7.468 -4.469 -8.842 1.00 0.45 C ATOM 432 CE LYS A 30 -7.862 -5.693 -9.645 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.094 -5.449 -10.418 1.00 1.48 N ATOM 0 H LYS A 30 -3.393 -3.116 -7.884 1.00 0.19 H new ATOM 0 HA LYS A 30 -5.992 -2.174 -8.792 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.190 -3.773 -6.386 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.800 -3.130 -6.644 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.427 -5.056 -8.541 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.510 -5.547 -7.254 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.315 -4.146 -8.237 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.232 -3.651 -9.522 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.052 -5.963 -10.322 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -8.012 -6.539 -8.974 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.340 -6.303 -10.958 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -9.871 -5.215 -9.768 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -8.941 -4.657 -11.074 1.00 1.48 H new ATOM 447 N SER A 31 -6.041 -0.318 -7.259 1.00 0.20 N ATOM 448 CA SER A 31 -6.096 0.904 -6.539 1.00 0.34 C ATOM 449 C SER A 31 -6.826 0.654 -5.228 1.00 0.53 C ATOM 450 O SER A 31 -8.020 0.432 -5.232 1.00 1.25 O ATOM 451 CB SER A 31 -6.873 1.918 -7.375 1.00 0.36 C ATOM 452 OG SER A 31 -6.502 1.843 -8.757 1.00 0.86 O ATOM 0 H SER A 31 -6.755 -0.389 -7.984 1.00 0.20 H new ATOM 0 HA SER A 31 -5.095 1.284 -6.336 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.943 1.735 -7.272 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.685 2.924 -6.999 1.00 0.36 H new ATOM 0 HG SER A 31 -7.008 1.126 -9.193 1.00 0.86 H new ATOM 458 N PHE A 32 -6.101 0.613 -4.142 1.00 0.29 N ATOM 459 CA PHE A 32 -6.655 0.408 -2.810 1.00 0.28 C ATOM 460 C PHE A 32 -7.930 1.240 -2.579 1.00 0.26 C ATOM 461 O PHE A 32 -8.993 0.713 -2.307 1.00 0.40 O ATOM 462 CB PHE A 32 -5.663 0.813 -1.735 1.00 0.40 C ATOM 463 CG PHE A 32 -4.329 0.136 -1.682 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.159 -1.026 -0.963 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.234 0.697 -2.296 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.932 -1.618 -0.869 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.001 0.113 -2.196 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.850 -1.046 -1.485 1.00 0.36 C ATOM 0 H PHE A 32 -5.087 0.722 -4.148 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.886 -0.655 -2.747 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.484 1.883 -1.839 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.146 0.663 -0.769 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.007 -1.475 -0.467 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.349 1.609 -2.863 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.815 -2.535 -0.310 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.147 0.567 -2.678 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.878 -1.510 -1.409 1.00 0.36 H new ATOM 478 N THR A 33 -7.832 2.515 -2.772 1.00 0.28 N ATOM 479 CA THR A 33 -8.911 3.425 -2.455 1.00 0.36 C ATOM 480 C THR A 33 -10.044 3.434 -3.518 1.00 0.45 C ATOM 481 O THR A 33 -11.017 4.180 -3.382 1.00 1.06 O ATOM 482 CB THR A 33 -8.355 4.857 -2.246 1.00 0.61 C ATOM 483 OG1 THR A 33 -9.334 5.708 -1.663 1.00 1.01 O ATOM 484 CG2 THR A 33 -7.893 5.446 -3.568 1.00 0.78 C ATOM 0 H THR A 33 -7.002 2.968 -3.155 1.00 0.28 H new ATOM 0 HA THR A 33 -9.362 3.064 -1.531 1.00 0.36 H new ATOM 0 HB THR A 33 -7.506 4.786 -1.566 1.00 0.61 H new ATOM 0 HG1 THR A 33 -9.950 5.174 -1.120 1.00 1.01 H new ATOM 0 HG21 THR A 33 -7.506 6.451 -3.403 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.108 4.819 -3.991 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.734 5.490 -4.260 1.00 0.78 H new ATOM 492 N ASP A 34 -9.971 2.552 -4.491 1.00 0.32 N ATOM 493 CA ASP A 34 -10.937 2.579 -5.583 1.00 0.34 C ATOM 494 C ASP A 34 -11.337 1.165 -5.958 1.00 0.35 C ATOM 495 O ASP A 34 -12.471 0.759 -5.770 1.00 0.50 O ATOM 496 CB ASP A 34 -10.299 3.273 -6.786 1.00 0.38 C ATOM 497 CG ASP A 34 -11.273 3.590 -7.888 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.635 2.662 -8.652 1.00 1.74 O ATOM 499 OD2 ASP A 34 -11.702 4.739 -8.005 1.00 1.04 O ATOM 0 H ASP A 34 -9.268 1.816 -4.555 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.829 3.122 -5.271 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.827 4.198 -6.453 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.508 2.637 -7.184 1.00 0.38 H new ATOM 504 N ASP A 35 -10.360 0.409 -6.400 1.00 0.30 N ATOM 505 CA ASP A 35 -10.535 -0.969 -6.835 1.00 0.32 C ATOM 506 C ASP A 35 -10.880 -1.839 -5.666 1.00 0.35 C ATOM 507 O ASP A 35 -11.784 -2.664 -5.735 1.00 0.52 O ATOM 508 CB ASP A 35 -9.244 -1.493 -7.489 1.00 0.31 C ATOM 509 CG ASP A 35 -9.004 -0.991 -8.889 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.860 -1.180 -9.758 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.941 -0.390 -9.141 1.00 1.10 O ATOM 0 H ASP A 35 -9.397 0.736 -6.471 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.346 -0.997 -7.563 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.396 -1.211 -6.865 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.278 -2.582 -7.508 1.00 0.31 H new ATOM 516 N LEU A 36 -10.156 -1.639 -4.589 1.00 0.30 N ATOM 517 CA LEU A 36 -10.370 -2.405 -3.386 1.00 0.33 C ATOM 518 C LEU A 36 -11.528 -1.818 -2.622 1.00 0.39 C ATOM 519 O LEU A 36 -12.382 -2.548 -2.099 1.00 0.81 O ATOM 520 CB LEU A 36 -9.154 -2.339 -2.494 1.00 0.33 C ATOM 521 CG LEU A 36 -7.815 -2.732 -3.049 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.888 -2.902 -1.895 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.887 -3.984 -3.874 1.00 0.36 C ATOM 0 H LEU A 36 -9.409 -0.947 -4.523 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.569 -3.439 -3.669 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.070 -1.315 -2.129 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.348 -2.971 -1.628 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.455 -1.954 -3.723 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.902 -3.189 -2.260 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.813 -1.963 -1.347 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.270 -3.679 -1.233 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.895 -4.227 -4.253 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.251 -4.806 -3.257 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.567 -3.829 -4.711 1.00 0.36 H new ATOM 535 N ASP A 37 -11.496 -0.479 -2.541 1.00 0.35 N ATOM 536 CA ASP A 37 -12.477 0.373 -1.895 1.00 0.45 C ATOM 537 C ASP A 37 -12.097 0.689 -0.473 1.00 0.39 C ATOM 538 O ASP A 37 -12.666 0.194 0.502 1.00 0.87 O ATOM 539 CB ASP A 37 -13.920 -0.089 -2.034 1.00 0.79 C ATOM 540 CG ASP A 37 -14.911 0.858 -1.382 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.069 2.005 -1.879 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.548 0.484 -0.372 1.00 0.99 O ATOM 0 H ASP A 37 -10.734 0.060 -2.953 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.450 1.308 -2.455 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.163 -0.189 -3.092 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.024 -1.078 -1.588 1.00 0.79 H new ATOM 547 N VAL A 38 -11.023 1.396 -0.373 1.00 0.38 N ATOM 548 CA VAL A 38 -10.596 1.941 0.884 1.00 0.37 C ATOM 549 C VAL A 38 -11.101 3.374 0.959 1.00 0.48 C ATOM 550 O VAL A 38 -11.213 4.043 -0.058 1.00 0.79 O ATOM 551 CB VAL A 38 -9.054 1.892 1.040 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.613 2.414 2.404 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.563 0.481 0.853 1.00 0.43 C ATOM 0 H VAL A 38 -10.411 1.617 -1.158 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.006 1.345 1.699 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.620 2.536 0.275 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.527 2.365 2.478 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.939 3.448 2.521 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -9.058 1.803 3.189 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.479 0.455 0.964 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.020 -0.166 1.602 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -8.834 0.130 -0.143 1.00 0.43 H new ATOM 563 N ASP A 39 -11.377 3.834 2.151 1.00 0.39 N ATOM 564 CA ASP A 39 -11.980 5.151 2.400 1.00 0.55 C ATOM 565 C ASP A 39 -11.058 6.357 2.211 1.00 0.67 C ATOM 566 O ASP A 39 -11.384 7.442 2.681 1.00 1.53 O ATOM 567 CB ASP A 39 -12.593 5.185 3.785 1.00 0.64 C ATOM 568 CG ASP A 39 -13.861 4.386 3.864 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.795 3.165 4.124 1.00 2.00 O ATOM 570 OD2 ASP A 39 -14.948 4.968 3.659 1.00 1.51 O ATOM 0 H ASP A 39 -11.192 3.306 3.004 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.739 5.257 1.625 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.875 4.797 4.508 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -12.799 6.218 4.064 1.00 0.64 H new ATOM 575 N SER A 40 -9.946 6.186 1.514 1.00 0.45 N ATOM 576 CA SER A 40 -9.018 7.273 1.176 1.00 0.37 C ATOM 577 C SER A 40 -8.242 7.902 2.356 1.00 0.34 C ATOM 578 O SER A 40 -7.024 7.967 2.303 1.00 0.46 O ATOM 579 CB SER A 40 -9.700 8.301 0.327 1.00 0.51 C ATOM 580 OG SER A 40 -8.839 9.411 0.108 1.00 0.78 O ATOM 0 H SER A 40 -9.651 5.277 1.158 1.00 0.45 H new ATOM 0 HA SER A 40 -8.226 6.795 0.599 1.00 0.37 H new ATOM 0 HB2 SER A 40 -9.987 7.861 -0.628 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.617 8.634 0.813 1.00 0.51 H new ATOM 0 HG SER A 40 -9.296 10.075 -0.449 1.00 0.78 H new ATOM 585 N LEU A 41 -8.910 8.358 3.402 1.00 0.32 N ATOM 586 CA LEU A 41 -8.186 8.945 4.533 1.00 0.36 C ATOM 587 C LEU A 41 -7.468 7.830 5.277 1.00 0.33 C ATOM 588 O LEU A 41 -6.351 7.984 5.774 1.00 0.41 O ATOM 589 CB LEU A 41 -9.103 9.720 5.515 1.00 0.51 C ATOM 590 CG LEU A 41 -10.139 8.914 6.326 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.477 9.652 7.605 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.419 8.690 5.542 1.00 1.18 C ATOM 0 H LEU A 41 -9.925 8.338 3.499 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.482 9.673 4.130 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.464 10.249 6.222 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.641 10.476 4.943 1.00 0.51 H new ATOM 0 HG LEU A 41 -9.694 7.944 6.549 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.209 9.078 8.174 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.573 9.779 8.201 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.892 10.630 7.362 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.122 8.119 6.148 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.861 9.652 5.284 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.195 8.138 4.629 1.00 1.18 H new ATOM 604 N SER A 42 -8.117 6.690 5.284 1.00 0.31 N ATOM 605 CA SER A 42 -7.646 5.484 5.890 1.00 0.33 C ATOM 606 C SER A 42 -6.396 4.979 5.155 1.00 0.27 C ATOM 607 O SER A 42 -5.576 4.274 5.708 1.00 0.26 O ATOM 608 CB SER A 42 -8.760 4.483 5.723 1.00 0.45 C ATOM 609 OG SER A 42 -10.008 5.113 5.946 1.00 0.60 O ATOM 0 H SER A 42 -9.031 6.581 4.844 1.00 0.31 H new ATOM 0 HA SER A 42 -7.383 5.638 6.936 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.731 4.057 4.720 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.628 3.658 6.423 1.00 0.45 H new ATOM 0 HG SER A 42 -10.644 4.460 6.305 1.00 0.60 H new ATOM 615 N MET A 43 -6.263 5.398 3.918 1.00 0.27 N ATOM 616 CA MET A 43 -5.199 4.985 3.047 1.00 0.31 C ATOM 617 C MET A 43 -3.877 5.380 3.564 1.00 0.25 C ATOM 618 O MET A 43 -2.968 4.584 3.549 1.00 0.28 O ATOM 619 CB MET A 43 -5.390 5.554 1.670 1.00 0.46 C ATOM 620 CG MET A 43 -6.468 4.909 0.852 1.00 0.73 C ATOM 621 SD MET A 43 -5.926 3.442 -0.036 1.00 0.86 S ATOM 622 CE MET A 43 -5.243 2.384 1.243 1.00 0.40 C ATOM 0 H MET A 43 -6.912 6.053 3.483 1.00 0.27 H new ATOM 0 HA MET A 43 -5.233 3.897 2.999 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.614 6.617 1.762 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.448 5.473 1.128 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.297 4.640 1.507 1.00 0.73 H new ATOM 0 HG3 MET A 43 -6.851 5.635 0.135 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.196 1.357 0.880 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.240 2.724 1.499 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.878 2.427 2.128 1.00 0.40 H new ATOM 632 N VAL A 44 -3.789 6.599 4.049 1.00 0.22 N ATOM 633 CA VAL A 44 -2.551 7.127 4.597 1.00 0.22 C ATOM 634 C VAL A 44 -2.025 6.193 5.717 1.00 0.21 C ATOM 635 O VAL A 44 -0.839 5.852 5.746 1.00 0.26 O ATOM 636 CB VAL A 44 -2.762 8.559 5.149 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.466 9.125 5.726 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.293 9.467 4.050 1.00 0.30 C ATOM 0 H VAL A 44 -4.570 7.254 4.076 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.812 7.174 3.797 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.493 8.509 5.956 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.645 10.131 6.106 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.120 8.487 6.539 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.706 9.162 4.946 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.438 10.472 4.447 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.577 9.501 3.229 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.244 9.079 3.686 1.00 0.30 H new ATOM 648 N GLU A 45 -2.940 5.746 6.585 1.00 0.19 N ATOM 649 CA GLU A 45 -2.616 4.823 7.685 1.00 0.18 C ATOM 650 C GLU A 45 -2.013 3.548 7.100 1.00 0.20 C ATOM 651 O GLU A 45 -0.975 3.081 7.530 1.00 0.25 O ATOM 652 CB GLU A 45 -3.889 4.421 8.429 1.00 0.17 C ATOM 653 CG GLU A 45 -4.811 5.559 8.811 1.00 0.29 C ATOM 654 CD GLU A 45 -4.206 6.538 9.775 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.563 7.501 9.335 1.00 0.58 O ATOM 656 OE2 GLU A 45 -4.407 6.384 10.998 1.00 0.68 O ATOM 0 H GLU A 45 -3.924 6.012 6.547 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.922 5.320 8.363 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.445 3.720 7.807 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.605 3.887 9.336 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.108 6.091 7.907 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.719 5.146 9.251 1.00 0.29 H new ATOM 663 N VAL A 46 -2.679 3.041 6.065 1.00 0.19 N ATOM 664 CA VAL A 46 -2.294 1.814 5.355 1.00 0.22 C ATOM 665 C VAL A 46 -0.874 1.921 4.775 1.00 0.20 C ATOM 666 O VAL A 46 -0.160 0.935 4.660 1.00 0.23 O ATOM 667 CB VAL A 46 -3.291 1.520 4.188 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.949 0.251 3.459 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.718 1.462 4.677 1.00 0.63 C ATOM 0 H VAL A 46 -3.519 3.477 5.685 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.321 1.002 6.081 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.196 2.350 3.488 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.668 0.087 2.657 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.947 0.332 3.037 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -2.983 -0.588 4.154 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.382 1.256 3.838 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.816 0.671 5.420 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.988 2.418 5.127 1.00 0.63 H new ATOM 679 N VAL A 47 -0.464 3.124 4.497 1.00 0.17 N ATOM 680 CA VAL A 47 0.821 3.381 3.862 1.00 0.18 C ATOM 681 C VAL A 47 1.866 3.307 4.914 1.00 0.19 C ATOM 682 O VAL A 47 2.851 2.585 4.767 1.00 0.21 O ATOM 683 CB VAL A 47 0.879 4.781 3.221 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.193 4.977 2.490 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.273 4.992 2.286 1.00 0.54 C ATOM 0 H VAL A 47 -1.004 3.965 4.700 1.00 0.17 H new ATOM 0 HA VAL A 47 0.973 2.643 3.074 1.00 0.18 H new ATOM 0 HB VAL A 47 0.809 5.520 4.019 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.216 5.971 2.044 1.00 0.55 H new ATOM 0 HG12 VAL A 47 3.019 4.876 3.194 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.289 4.225 1.707 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.208 5.988 1.847 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.241 4.244 1.494 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.210 4.898 2.836 1.00 0.54 H new ATOM 695 N VAL A 48 1.640 4.062 5.969 1.00 0.19 N ATOM 696 CA VAL A 48 2.509 4.084 7.115 1.00 0.23 C ATOM 697 C VAL A 48 2.669 2.663 7.641 1.00 0.23 C ATOM 698 O VAL A 48 3.781 2.211 7.882 1.00 0.35 O ATOM 699 CB VAL A 48 1.921 5.005 8.220 1.00 0.31 C ATOM 700 CG1 VAL A 48 2.799 5.010 9.459 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.759 6.424 7.692 1.00 0.33 C ATOM 0 H VAL A 48 0.836 4.684 6.050 1.00 0.19 H new ATOM 0 HA VAL A 48 3.483 4.478 6.827 1.00 0.23 H new ATOM 0 HB VAL A 48 0.943 4.611 8.498 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.360 5.664 10.213 1.00 0.42 H new ATOM 0 HG12 VAL A 48 2.874 3.998 9.856 1.00 0.42 H new ATOM 0 HG13 VAL A 48 3.793 5.373 9.199 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.346 7.059 8.476 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.731 6.811 7.385 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.084 6.419 6.836 1.00 0.33 H new ATOM 711 N ALA A 49 1.554 1.940 7.727 1.00 0.18 N ATOM 712 CA ALA A 49 1.555 0.616 8.240 1.00 0.18 C ATOM 713 C ALA A 49 2.349 -0.308 7.342 1.00 0.17 C ATOM 714 O ALA A 49 3.075 -1.191 7.812 1.00 0.21 O ATOM 715 CB ALA A 49 0.144 0.110 8.445 1.00 0.20 C ATOM 0 H ALA A 49 0.636 2.276 7.437 1.00 0.18 H new ATOM 0 HA ALA A 49 2.042 0.631 9.215 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.175 -0.906 8.838 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.375 0.757 9.152 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.386 0.114 7.493 1.00 0.20 H new ATOM 721 N ALA A 50 2.231 -0.081 6.048 1.00 0.16 N ATOM 722 CA ALA A 50 2.946 -0.845 5.075 1.00 0.18 C ATOM 723 C ALA A 50 4.441 -0.615 5.221 1.00 0.18 C ATOM 724 O ALA A 50 5.194 -1.559 5.452 1.00 0.21 O ATOM 725 CB ALA A 50 2.467 -0.520 3.663 1.00 0.18 C ATOM 0 H ALA A 50 1.632 0.643 5.653 1.00 0.16 H new ATOM 0 HA ALA A 50 2.747 -1.902 5.249 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.028 -1.115 2.942 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.405 -0.751 3.577 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.625 0.539 3.460 1.00 0.18 H new ATOM 731 N GLU A 51 4.875 0.624 5.158 1.00 0.18 N ATOM 732 CA GLU A 51 6.297 0.907 5.251 1.00 0.23 C ATOM 733 C GLU A 51 6.915 0.503 6.576 1.00 0.23 C ATOM 734 O GLU A 51 8.055 0.033 6.608 1.00 0.30 O ATOM 735 CB GLU A 51 6.679 2.318 4.795 1.00 0.29 C ATOM 736 CG GLU A 51 5.806 3.428 5.260 1.00 0.31 C ATOM 737 CD GLU A 51 6.436 4.311 6.266 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.566 3.868 7.413 1.00 0.51 O ATOM 739 OE2 GLU A 51 6.802 5.449 5.961 1.00 0.64 O ATOM 0 H GLU A 51 4.278 1.443 5.045 1.00 0.18 H new ATOM 0 HA GLU A 51 6.759 0.247 4.517 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.696 2.521 5.131 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.695 2.331 3.705 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.510 4.028 4.400 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.894 3.006 5.683 1.00 0.31 H new ATOM 746 N GLU A 52 6.161 0.617 7.646 1.00 0.22 N ATOM 747 CA GLU A 52 6.638 0.186 8.948 1.00 0.26 C ATOM 748 C GLU A 52 6.799 -1.337 9.019 1.00 0.24 C ATOM 749 O GLU A 52 7.651 -1.844 9.761 1.00 0.35 O ATOM 750 CB GLU A 52 5.741 0.683 10.073 1.00 0.33 C ATOM 751 CG GLU A 52 5.768 2.183 10.269 1.00 0.46 C ATOM 752 CD GLU A 52 5.033 2.614 11.509 1.00 1.20 C ATOM 753 OE1 GLU A 52 3.843 2.273 11.679 1.00 1.50 O ATOM 754 OE2 GLU A 52 5.631 3.307 12.341 1.00 2.07 O ATOM 0 H GLU A 52 5.217 1.003 7.645 1.00 0.22 H new ATOM 0 HA GLU A 52 7.622 0.634 9.083 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.716 0.372 9.870 1.00 0.33 H new ATOM 0 HB3 GLU A 52 6.042 0.201 11.003 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.803 2.520 10.328 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.324 2.668 9.400 1.00 0.46 H new ATOM 761 N ARG A 53 6.008 -2.063 8.249 1.00 0.18 N ATOM 762 CA ARG A 53 6.097 -3.515 8.236 1.00 0.21 C ATOM 763 C ARG A 53 7.144 -4.009 7.215 1.00 0.24 C ATOM 764 O ARG A 53 7.880 -4.957 7.478 1.00 0.37 O ATOM 765 CB ARG A 53 4.716 -4.175 7.954 1.00 0.25 C ATOM 766 CG ARG A 53 4.777 -5.707 7.914 1.00 0.41 C ATOM 767 CD ARG A 53 3.440 -6.374 7.569 1.00 0.49 C ATOM 768 NE ARG A 53 3.640 -7.818 7.345 1.00 1.36 N ATOM 769 CZ ARG A 53 2.678 -8.737 7.174 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.416 -8.468 7.492 1.00 1.19 N ATOM 771 NH2 ARG A 53 2.999 -9.948 6.720 1.00 2.48 N ATOM 0 H ARG A 53 5.299 -1.675 7.627 1.00 0.18 H new ATOM 0 HA ARG A 53 6.420 -3.818 9.232 1.00 0.21 H new ATOM 0 HB2 ARG A 53 4.009 -3.866 8.723 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.332 -3.808 7.002 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.524 -6.012 7.181 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.115 -6.073 8.884 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.727 -6.218 8.379 1.00 0.49 H new ATOM 0 HD3 ARG A 53 3.014 -5.915 6.677 1.00 0.49 H new ATOM 0 HE ARG A 53 4.604 -8.150 7.317 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.169 -7.554 7.871 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.694 -9.176 7.357 1.00 1.19 H new ATOM 0 HH21 ARG A 53 3.971 -10.171 6.505 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.273 -10.652 6.587 1.00 2.48 H new ATOM 785 N PHE A 54 7.233 -3.355 6.061 1.00 0.20 N ATOM 786 CA PHE A 54 8.100 -3.867 4.980 1.00 0.26 C ATOM 787 C PHE A 54 9.476 -3.252 4.984 1.00 0.37 C ATOM 788 O PHE A 54 10.315 -3.623 4.180 1.00 0.81 O ATOM 789 CB PHE A 54 7.440 -3.714 3.613 1.00 0.18 C ATOM 790 CG PHE A 54 6.025 -4.144 3.643 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.693 -5.357 4.162 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.035 -3.357 3.090 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.406 -5.793 4.139 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.747 -3.793 3.054 1.00 0.29 C ATOM 795 CZ PHE A 54 3.387 -4.860 3.818 1.00 0.33 C ATOM 0 H PHE A 54 6.735 -2.492 5.843 1.00 0.20 H new ATOM 0 HA PHE A 54 8.232 -4.930 5.181 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.498 -2.673 3.294 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.985 -4.304 2.876 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.460 -5.980 4.597 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.285 -2.388 2.683 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.166 -6.823 4.359 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.020 -3.299 2.427 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.372 -4.990 4.164 1.00 0.33 H new ATOM 805 N ASP A 55 9.672 -2.305 5.885 1.00 0.23 N ATOM 806 CA ASP A 55 10.992 -1.638 6.169 1.00 0.30 C ATOM 807 C ASP A 55 11.291 -0.432 5.304 1.00 0.21 C ATOM 808 O ASP A 55 12.330 0.208 5.485 1.00 0.44 O ATOM 809 CB ASP A 55 12.219 -2.587 6.129 1.00 0.60 C ATOM 810 CG ASP A 55 12.148 -3.738 7.079 1.00 1.22 C ATOM 811 OD1 ASP A 55 12.346 -3.542 8.294 1.00 1.56 O ATOM 812 OD2 ASP A 55 11.920 -4.884 6.622 1.00 1.99 O ATOM 0 H ASP A 55 8.916 -1.948 6.470 1.00 0.23 H new ATOM 0 HA ASP A 55 10.846 -1.301 7.195 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.328 -2.975 5.116 1.00 0.60 H new ATOM 0 HB3 ASP A 55 13.116 -2.008 6.347 1.00 0.60 H new ATOM 817 N VAL A 56 10.431 -0.100 4.369 1.00 0.17 N ATOM 818 CA VAL A 56 10.691 1.070 3.543 1.00 0.21 C ATOM 819 C VAL A 56 10.260 2.331 4.319 1.00 0.20 C ATOM 820 O VAL A 56 9.719 2.222 5.427 1.00 0.21 O ATOM 821 CB VAL A 56 9.947 0.962 2.164 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.459 0.972 2.338 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.376 2.020 1.161 1.00 0.37 C ATOM 0 H VAL A 56 9.568 -0.602 4.160 1.00 0.17 H new ATOM 0 HA VAL A 56 11.757 1.133 3.323 1.00 0.21 H new ATOM 0 HB VAL A 56 10.243 -0.001 1.747 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.978 0.896 1.363 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.159 0.127 2.957 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.155 1.901 2.821 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.822 1.886 0.232 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.170 3.011 1.567 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.444 1.923 0.964 1.00 0.37 H new ATOM 833 N LYS A 57 10.524 3.491 3.803 1.00 0.25 N ATOM 834 CA LYS A 57 9.992 4.672 4.380 1.00 0.25 C ATOM 835 C LYS A 57 9.305 5.440 3.284 1.00 0.22 C ATOM 836 O LYS A 57 9.907 5.718 2.242 1.00 0.28 O ATOM 837 CB LYS A 57 11.065 5.531 5.054 1.00 0.33 C ATOM 838 CG LYS A 57 10.462 6.538 6.007 1.00 0.44 C ATOM 839 CD LYS A 57 9.761 5.796 7.135 1.00 0.89 C ATOM 840 CE LYS A 57 8.941 6.687 8.023 1.00 1.46 C ATOM 841 NZ LYS A 57 7.846 7.358 7.304 1.00 2.12 N ATOM 0 H LYS A 57 11.108 3.639 2.980 1.00 0.25 H new ATOM 0 HA LYS A 57 9.290 4.401 5.168 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.758 4.888 5.596 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.644 6.053 4.292 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.239 7.187 6.410 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.754 7.178 5.480 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.115 5.029 6.708 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.508 5.282 7.740 1.00 0.89 H new ATOM 0 HE2 LYS A 57 8.525 6.096 8.839 1.00 1.46 H new ATOM 0 HE3 LYS A 57 9.589 7.439 8.473 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.074 7.570 7.967 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 8.196 8.244 6.886 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 7.493 6.735 6.549 1.00 2.12 H new ATOM 855 N ILE A 58 8.057 5.755 3.481 1.00 0.20 N ATOM 856 CA ILE A 58 7.304 6.416 2.462 1.00 0.19 C ATOM 857 C ILE A 58 6.907 7.825 2.898 1.00 0.21 C ATOM 858 O ILE A 58 6.151 7.996 3.859 1.00 0.25 O ATOM 859 CB ILE A 58 6.044 5.597 2.056 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.461 4.180 1.625 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.307 6.296 0.912 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.311 3.269 1.256 1.00 0.24 C ATOM 0 H ILE A 58 7.542 5.563 4.340 1.00 0.20 H new ATOM 0 HA ILE A 58 7.948 6.495 1.586 1.00 0.19 H new ATOM 0 HB ILE A 58 5.375 5.528 2.914 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.134 4.258 0.771 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.026 3.720 2.435 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.427 5.714 0.636 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.998 7.291 1.232 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.970 6.382 0.051 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.699 2.293 0.966 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.647 3.155 2.113 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.757 3.702 0.423 1.00 0.24 H new ATOM 874 N PRO A 59 7.454 8.854 2.236 1.00 0.23 N ATOM 875 CA PRO A 59 7.082 10.244 2.493 1.00 0.28 C ATOM 876 C PRO A 59 5.652 10.479 2.068 1.00 0.24 C ATOM 877 O PRO A 59 5.168 9.819 1.137 1.00 0.21 O ATOM 878 CB PRO A 59 7.997 11.040 1.567 1.00 0.33 C ATOM 879 CG PRO A 59 8.404 10.075 0.523 1.00 0.30 C ATOM 880 CD PRO A 59 8.482 8.748 1.199 1.00 0.25 C ATOM 0 HA PRO A 59 7.174 10.515 3.545 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.477 11.895 1.135 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.861 11.431 2.104 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.682 10.055 -0.293 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.366 10.350 0.091 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.278 7.929 0.509 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.469 8.568 1.624 1.00 0.25 H new ATOM 888 N ASP A 60 4.996 11.428 2.697 1.00 0.30 N ATOM 889 CA ASP A 60 3.596 11.740 2.403 1.00 0.34 C ATOM 890 C ASP A 60 3.416 12.139 0.936 1.00 0.31 C ATOM 891 O ASP A 60 2.359 11.930 0.363 1.00 0.36 O ATOM 892 CB ASP A 60 3.024 12.825 3.335 1.00 0.51 C ATOM 893 CG ASP A 60 3.594 14.202 3.093 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.628 14.556 3.716 1.00 1.98 O ATOM 895 OD2 ASP A 60 3.029 14.947 2.263 1.00 1.92 O ATOM 0 H ASP A 60 5.407 12.010 3.427 1.00 0.30 H new ATOM 0 HA ASP A 60 3.029 10.828 2.588 1.00 0.34 H new ATOM 0 HB2 ASP A 60 1.942 12.863 3.210 1.00 0.51 H new ATOM 0 HB3 ASP A 60 3.216 12.540 4.369 1.00 0.51 H new ATOM 900 N ASP A 61 4.464 12.692 0.333 1.00 0.30 N ATOM 901 CA ASP A 61 4.452 13.030 -1.088 1.00 0.37 C ATOM 902 C ASP A 61 4.310 11.768 -1.933 1.00 0.33 C ATOM 903 O ASP A 61 3.484 11.703 -2.834 1.00 0.46 O ATOM 904 CB ASP A 61 5.726 13.776 -1.490 1.00 0.50 C ATOM 905 CG ASP A 61 5.757 14.132 -2.964 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.242 15.201 -3.344 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.278 13.340 -3.775 1.00 2.06 O ATOM 0 H ASP A 61 5.338 12.917 0.809 1.00 0.30 H new ATOM 0 HA ASP A 61 3.597 13.683 -1.266 1.00 0.37 H new ATOM 0 HB2 ASP A 61 5.810 14.688 -0.899 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.593 13.160 -1.251 1.00 0.50 H new ATOM 912 N ASP A 62 5.083 10.744 -1.602 1.00 0.25 N ATOM 913 CA ASP A 62 5.034 9.486 -2.347 1.00 0.25 C ATOM 914 C ASP A 62 3.811 8.694 -2.027 1.00 0.23 C ATOM 915 O ASP A 62 3.344 7.923 -2.852 1.00 0.28 O ATOM 916 CB ASP A 62 6.280 8.638 -2.198 1.00 0.26 C ATOM 917 CG ASP A 62 7.415 9.122 -3.060 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.275 9.125 -4.287 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.476 9.490 -2.526 1.00 0.44 O ATOM 0 H ASP A 62 5.748 10.755 -0.829 1.00 0.25 H new ATOM 0 HA ASP A 62 4.988 9.780 -3.395 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.594 8.641 -1.154 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.046 7.606 -2.458 1.00 0.26 H new ATOM 924 N VAL A 63 3.278 8.890 -0.827 1.00 0.22 N ATOM 925 CA VAL A 63 1.993 8.303 -0.441 1.00 0.26 C ATOM 926 C VAL A 63 0.942 8.742 -1.479 1.00 0.29 C ATOM 927 O VAL A 63 0.152 7.950 -1.960 1.00 0.38 O ATOM 928 CB VAL A 63 1.552 8.804 0.980 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.221 8.231 1.381 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.577 8.449 2.033 1.00 0.27 C ATOM 0 H VAL A 63 3.716 9.454 -0.098 1.00 0.22 H new ATOM 0 HA VAL A 63 2.085 7.217 -0.406 1.00 0.26 H new ATOM 0 HB VAL A 63 1.467 9.889 0.913 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.051 8.600 2.370 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.538 8.534 0.659 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.286 7.143 1.405 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.241 8.810 3.005 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.700 7.367 2.071 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.531 8.914 1.784 1.00 0.27 H new ATOM 940 N LYS A 64 1.028 10.004 -1.864 1.00 0.27 N ATOM 941 CA LYS A 64 0.108 10.622 -2.822 1.00 0.34 C ATOM 942 C LYS A 64 0.365 10.160 -4.273 1.00 0.32 C ATOM 943 O LYS A 64 -0.396 10.495 -5.184 1.00 0.38 O ATOM 944 CB LYS A 64 0.243 12.133 -2.753 1.00 0.44 C ATOM 945 CG LYS A 64 -0.071 12.747 -1.397 1.00 0.83 C ATOM 946 CD LYS A 64 0.313 14.217 -1.375 1.00 0.73 C ATOM 947 CE LYS A 64 -0.103 14.924 -0.089 1.00 1.59 C ATOM 948 NZ LYS A 64 0.592 14.406 1.111 1.00 2.16 N ATOM 0 H LYS A 64 1.746 10.642 -1.519 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.900 10.309 -2.548 1.00 0.34 H new ATOM 0 HB2 LYS A 64 1.262 12.404 -3.030 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.419 12.576 -3.497 1.00 0.44 H new ATOM 0 HG2 LYS A 64 -1.134 12.640 -1.180 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.469 12.212 -0.616 1.00 0.83 H new ATOM 0 HD2 LYS A 64 1.392 14.307 -1.499 1.00 0.73 H new ATOM 0 HD3 LYS A 64 -0.148 14.720 -2.225 1.00 0.73 H new ATOM 0 HE2 LYS A 64 0.099 15.991 -0.186 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -1.179 14.815 0.047 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -0.074 14.369 1.909 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 0.954 13.451 0.917 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.385 15.035 1.351 1.00 2.16 H new ATOM 962 N ASN A 65 1.434 9.428 -4.491 1.00 0.26 N ATOM 963 CA ASN A 65 1.772 8.936 -5.813 1.00 0.29 C ATOM 964 C ASN A 65 1.315 7.525 -5.973 1.00 0.28 C ATOM 965 O ASN A 65 1.076 7.055 -7.082 1.00 0.42 O ATOM 966 CB ASN A 65 3.262 8.990 -6.036 1.00 0.36 C ATOM 967 CG ASN A 65 3.779 10.361 -6.450 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.902 10.646 -7.640 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.048 11.227 -5.513 1.00 1.43 N ATOM 0 H ASN A 65 2.093 9.156 -3.762 1.00 0.26 H new ATOM 0 HA ASN A 65 1.272 9.572 -6.544 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.767 8.685 -5.120 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.530 8.265 -6.805 1.00 0.36 H new ATOM 0 HD21 ASN A 65 4.368 12.163 -5.761 1.00 1.43 H new ATOM 0 HD22 ASN A 65 3.939 10.968 -4.533 1.00 1.43 H new ATOM 976 N LEU A 66 1.182 6.842 -4.873 1.00 0.21 N ATOM 977 CA LEU A 66 0.774 5.490 -4.909 1.00 0.23 C ATOM 978 C LEU A 66 -0.723 5.462 -4.944 1.00 0.25 C ATOM 979 O LEU A 66 -1.377 6.003 -4.060 1.00 0.31 O ATOM 980 CB LEU A 66 1.260 4.721 -3.682 1.00 0.22 C ATOM 981 CG LEU A 66 2.744 4.792 -3.323 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.023 3.871 -2.149 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.626 4.447 -4.515 1.00 0.23 C ATOM 0 H LEU A 66 1.355 7.213 -3.939 1.00 0.21 H new ATOM 0 HA LEU A 66 1.204 5.014 -5.790 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.693 5.075 -2.821 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.002 3.671 -3.824 1.00 0.22 H new ATOM 0 HG LEU A 66 2.986 5.816 -3.038 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.081 3.920 -1.891 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.426 4.183 -1.292 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.763 2.848 -2.419 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.674 4.508 -4.222 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.402 3.435 -4.853 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.434 5.151 -5.325 1.00 0.23 H new ATOM 995 N LYS A 67 -1.264 4.923 -5.980 1.00 0.28 N ATOM 996 CA LYS A 67 -2.704 4.775 -6.021 1.00 0.34 C ATOM 997 C LYS A 67 -3.094 3.301 -5.959 1.00 0.30 C ATOM 998 O LYS A 67 -4.164 2.948 -5.456 1.00 0.38 O ATOM 999 CB LYS A 67 -3.388 5.501 -7.231 1.00 0.46 C ATOM 1000 CG LYS A 67 -3.222 4.908 -8.644 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.797 4.887 -9.159 1.00 1.26 C ATOM 1002 CE LYS A 67 -1.159 6.261 -9.203 1.00 1.83 C ATOM 1003 NZ LYS A 67 0.206 6.185 -9.751 1.00 2.55 N ATOM 0 H LYS A 67 -0.760 4.580 -6.798 1.00 0.28 H new ATOM 0 HA LYS A 67 -3.086 5.281 -5.134 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.456 5.558 -7.021 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.013 6.524 -7.257 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.609 3.889 -8.643 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.836 5.481 -9.338 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.197 4.235 -8.524 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.785 4.456 -10.160 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.765 6.929 -9.815 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -1.130 6.686 -8.200 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.662 7.117 -9.679 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.758 5.487 -9.213 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 0.164 5.897 -10.749 1.00 2.55 H new ATOM 1017 N THR A 68 -2.223 2.423 -6.467 1.00 0.23 N ATOM 1018 CA THR A 68 -2.502 1.038 -6.454 1.00 0.19 C ATOM 1019 C THR A 68 -1.480 0.325 -5.593 1.00 0.18 C ATOM 1020 O THR A 68 -0.531 0.938 -5.089 1.00 0.20 O ATOM 1021 CB THR A 68 -2.472 0.421 -7.888 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.125 0.256 -8.339 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.225 1.299 -8.879 1.00 0.22 C ATOM 0 H THR A 68 -1.328 2.676 -6.885 1.00 0.23 H new ATOM 0 HA THR A 68 -3.506 0.909 -6.050 1.00 0.19 H new ATOM 0 HB THR A 68 -2.959 -0.553 -7.834 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.854 1.044 -8.855 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.188 0.845 -9.869 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.264 1.396 -8.563 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.763 2.286 -8.915 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.627 -0.967 -5.485 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.703 -1.790 -4.780 1.00 0.18 C ATOM 1033 C VAL A 69 0.405 -2.212 -5.699 1.00 0.15 C ATOM 1034 O VAL A 69 1.476 -2.622 -5.278 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.403 -2.948 -3.991 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.592 -3.417 -4.723 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.490 -4.124 -3.671 1.00 1.21 C ATOM 0 H VAL A 69 -2.408 -1.479 -5.894 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.234 -1.208 -3.986 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.693 -2.521 -3.031 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.069 -4.222 -4.164 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.294 -2.592 -4.843 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.293 -3.785 -5.705 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.051 -4.882 -3.124 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.110 -4.553 -4.598 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.346 -3.781 -3.061 1.00 1.21 H new ATOM 1047 N GLY A 70 0.178 -1.985 -6.980 1.00 0.14 N ATOM 1048 CA GLY A 70 1.224 -2.244 -7.938 1.00 0.16 C ATOM 1049 C GLY A 70 2.223 -1.128 -7.858 1.00 0.19 C ATOM 1050 O GLY A 70 3.399 -1.304 -8.067 1.00 0.33 O ATOM 0 H GLY A 70 -0.697 -1.632 -7.368 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.704 -3.199 -7.727 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.810 -2.311 -8.944 1.00 0.16 H new ATOM 1054 N ASP A 71 1.713 0.022 -7.524 1.00 0.17 N ATOM 1055 CA ASP A 71 2.487 1.195 -7.251 1.00 0.20 C ATOM 1056 C ASP A 71 3.203 1.019 -5.944 1.00 0.17 C ATOM 1057 O ASP A 71 4.429 1.022 -5.898 1.00 0.20 O ATOM 1058 CB ASP A 71 1.536 2.378 -7.111 1.00 0.32 C ATOM 1059 CG ASP A 71 1.016 2.964 -8.379 1.00 0.87 C ATOM 1060 OD1 ASP A 71 0.134 2.370 -9.002 1.00 1.39 O ATOM 1061 OD2 ASP A 71 1.527 3.995 -8.810 1.00 1.28 O ATOM 0 H ASP A 71 0.708 0.173 -7.431 1.00 0.17 H new ATOM 0 HA ASP A 71 3.203 1.362 -8.055 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.686 2.063 -6.506 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.048 3.164 -6.556 1.00 0.32 H new ATOM 1066 N ALA A 72 2.404 0.832 -4.887 1.00 0.15 N ATOM 1067 CA ALA A 72 2.885 0.730 -3.512 1.00 0.13 C ATOM 1068 C ALA A 72 4.008 -0.223 -3.378 1.00 0.12 C ATOM 1069 O ALA A 72 5.104 0.159 -3.038 1.00 0.14 O ATOM 1070 CB ALA A 72 1.764 0.253 -2.609 1.00 0.13 C ATOM 0 H ALA A 72 1.391 0.747 -4.968 1.00 0.15 H new ATOM 0 HA ALA A 72 3.231 1.724 -3.226 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.129 0.179 -1.584 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.937 0.962 -2.649 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.419 -0.726 -2.943 1.00 0.13 H new ATOM 1076 N THR A 73 3.733 -1.431 -3.708 1.00 0.11 N ATOM 1077 CA THR A 73 4.643 -2.506 -3.549 1.00 0.13 C ATOM 1078 C THR A 73 5.950 -2.285 -4.273 1.00 0.16 C ATOM 1079 O THR A 73 7.026 -2.499 -3.692 1.00 0.24 O ATOM 1080 CB THR A 73 3.995 -3.774 -4.011 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.754 -3.926 -3.327 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.870 -4.915 -3.706 1.00 0.17 C ATOM 0 H THR A 73 2.838 -1.709 -4.110 1.00 0.11 H new ATOM 0 HA THR A 73 4.890 -2.574 -2.489 1.00 0.13 H new ATOM 0 HB THR A 73 3.825 -3.735 -5.087 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.041 -3.493 -3.842 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.396 -5.837 -4.043 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.824 -4.789 -4.218 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.039 -4.966 -2.630 1.00 0.17 H new ATOM 1090 N LYS A 74 5.851 -1.887 -5.519 1.00 0.17 N ATOM 1091 CA LYS A 74 6.999 -1.591 -6.315 1.00 0.20 C ATOM 1092 C LYS A 74 7.839 -0.557 -5.630 1.00 0.23 C ATOM 1093 O LYS A 74 9.003 -0.781 -5.403 1.00 0.45 O ATOM 1094 CB LYS A 74 6.569 -1.109 -7.672 1.00 0.25 C ATOM 1095 CG LYS A 74 6.521 -2.178 -8.762 1.00 0.98 C ATOM 1096 CD LYS A 74 5.652 -3.372 -8.401 1.00 2.21 C ATOM 1097 CE LYS A 74 5.527 -4.344 -9.569 1.00 2.92 C ATOM 1098 NZ LYS A 74 6.833 -4.841 -10.045 1.00 3.63 N ATOM 0 H LYS A 74 4.963 -1.761 -6.004 1.00 0.17 H new ATOM 0 HA LYS A 74 7.595 -2.495 -6.441 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.580 -0.660 -7.583 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.249 -0.319 -7.991 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.146 -1.731 -9.683 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.534 -2.524 -8.965 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.079 -3.888 -7.541 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.661 -3.027 -8.106 1.00 2.21 H new ATOM 0 HE2 LYS A 74 4.910 -5.190 -9.266 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.010 -3.851 -10.392 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 6.683 -5.596 -10.744 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 7.362 -4.061 -10.485 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 7.375 -5.217 -9.241 1.00 3.63 H new ATOM 1112 N TYR A 75 7.195 0.522 -5.225 1.00 0.16 N ATOM 1113 CA TYR A 75 7.835 1.626 -4.544 1.00 0.16 C ATOM 1114 C TYR A 75 8.559 1.161 -3.291 1.00 0.16 C ATOM 1115 O TYR A 75 9.742 1.477 -3.073 1.00 0.19 O ATOM 1116 CB TYR A 75 6.790 2.646 -4.145 1.00 0.16 C ATOM 1117 CG TYR A 75 7.398 3.850 -3.477 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.126 4.784 -4.195 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.286 4.017 -2.112 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.729 5.846 -3.563 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.868 5.072 -1.476 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.595 5.987 -2.200 1.00 0.28 C ATOM 1123 OH TYR A 75 9.211 7.038 -1.549 1.00 0.40 O ATOM 0 H TYR A 75 6.193 0.656 -5.364 1.00 0.16 H new ATOM 0 HA TYR A 75 8.562 2.064 -5.228 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.238 2.963 -5.030 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.071 2.182 -3.470 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.221 4.677 -5.265 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.725 3.296 -1.536 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.303 6.563 -4.131 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.759 5.189 -0.408 1.00 0.26 H new ATOM 0 HH TYR A 75 9.336 7.782 -2.174 1.00 0.40 H new ATOM 1133 N ILE A 76 7.828 0.439 -2.480 1.00 0.14 N ATOM 1134 CA ILE A 76 8.295 -0.101 -1.226 1.00 0.16 C ATOM 1135 C ILE A 76 9.549 -0.910 -1.436 1.00 0.17 C ATOM 1136 O ILE A 76 10.618 -0.495 -1.015 1.00 0.21 O ATOM 1137 CB ILE A 76 7.171 -0.977 -0.617 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.021 -0.097 -0.198 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.657 -1.800 0.560 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.744 -0.850 -0.004 1.00 0.13 C ATOM 0 H ILE A 76 6.856 0.202 -2.681 1.00 0.14 H new ATOM 0 HA ILE A 76 8.537 0.711 -0.540 1.00 0.16 H new ATOM 0 HB ILE A 76 6.843 -1.679 -1.383 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.280 0.411 0.731 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.869 0.675 -0.952 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.833 -2.397 0.952 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.461 -2.461 0.235 1.00 0.19 H new ATOM 0 HG23 ILE A 76 8.027 -1.135 1.341 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.956 -0.159 0.297 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.463 -1.336 -0.938 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.880 -1.604 0.771 1.00 0.13 H new ATOM 1152 N LEU A 77 9.418 -2.005 -2.146 1.00 0.17 N ATOM 1153 CA LEU A 77 10.492 -2.953 -2.387 1.00 0.20 C ATOM 1154 C LEU A 77 11.701 -2.220 -2.984 1.00 0.22 C ATOM 1155 O LEU A 77 12.832 -2.390 -2.532 1.00 0.29 O ATOM 1156 CB LEU A 77 9.945 -3.981 -3.389 1.00 0.23 C ATOM 1157 CG LEU A 77 10.683 -5.301 -3.668 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.875 -6.046 -4.683 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.095 -5.112 -4.205 1.00 1.44 C ATOM 0 H LEU A 77 8.538 -2.273 -2.587 1.00 0.17 H new ATOM 0 HA LEU A 77 10.816 -3.438 -1.466 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.940 -4.243 -3.057 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.841 -3.468 -4.345 1.00 0.23 H new ATOM 0 HG LEU A 77 10.786 -5.839 -2.725 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.363 -6.993 -4.912 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.879 -6.238 -4.285 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.794 -5.450 -5.592 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.552 -6.086 -4.378 1.00 1.44 H new ATOM 0 HD22 LEU A 77 12.056 -4.558 -5.143 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.689 -4.556 -3.479 1.00 1.44 H new ATOM 1171 N ASP A 78 11.409 -1.332 -3.916 1.00 0.22 N ATOM 1172 CA ASP A 78 12.400 -0.628 -4.724 1.00 0.29 C ATOM 1173 C ASP A 78 13.302 0.232 -3.871 1.00 0.30 C ATOM 1174 O ASP A 78 14.464 0.471 -4.205 1.00 0.36 O ATOM 1175 CB ASP A 78 11.675 0.230 -5.765 1.00 0.45 C ATOM 1176 CG ASP A 78 12.571 0.849 -6.802 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.296 0.104 -7.484 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.627 2.100 -6.901 1.00 0.59 O ATOM 0 H ASP A 78 10.450 -1.070 -4.142 1.00 0.22 H new ATOM 0 HA ASP A 78 13.031 -1.364 -5.223 1.00 0.29 H new ATOM 0 HB2 ASP A 78 10.930 -0.386 -6.269 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.136 1.024 -5.249 1.00 0.45 H new ATOM 1183 N HIS A 79 12.782 0.652 -2.748 1.00 0.29 N ATOM 1184 CA HIS A 79 13.505 1.514 -1.849 1.00 0.36 C ATOM 1185 C HIS A 79 14.091 0.790 -0.636 1.00 0.42 C ATOM 1186 O HIS A 79 14.862 1.380 0.101 1.00 0.58 O ATOM 1187 CB HIS A 79 12.637 2.681 -1.397 1.00 0.38 C ATOM 1188 CG HIS A 79 12.526 3.803 -2.380 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.044 5.052 -2.142 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.929 3.873 -3.590 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.778 5.841 -3.157 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.101 5.151 -4.049 1.00 1.18 N ATOM 0 H HIS A 79 11.845 0.406 -2.430 1.00 0.29 H new ATOM 0 HA HIS A 79 14.353 1.890 -2.422 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.636 2.307 -1.180 1.00 0.38 H new ATOM 0 HB3 HIS A 79 13.040 3.074 -0.464 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.413 3.072 -4.099 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.066 6.878 -3.245 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.759 5.511 -4.940 1.00 1.18 H new ATOM 1201 N GLN A 80 13.765 -0.475 -0.426 1.00 0.39 N ATOM 1202 CA GLN A 80 14.294 -1.166 0.768 1.00 0.49 C ATOM 1203 C GLN A 80 15.113 -2.379 0.488 1.00 0.58 C ATOM 1204 O GLN A 80 16.163 -2.611 1.100 1.00 0.83 O ATOM 1205 CB GLN A 80 13.222 -1.466 1.801 1.00 0.67 C ATOM 1206 CG GLN A 80 11.873 -1.818 1.260 1.00 0.52 C ATOM 1207 CD GLN A 80 11.560 -3.273 1.316 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.427 -4.110 1.320 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.317 -3.580 1.315 1.00 0.56 N ATOM 0 H GLN A 80 13.164 -1.036 -1.030 1.00 0.39 H new ATOM 0 HA GLN A 80 14.984 -0.436 1.192 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.567 -2.290 2.426 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.116 -0.596 2.449 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.114 -1.272 1.820 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.809 -1.482 0.225 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.610 -2.845 1.312 1.00 0.56 H new ATOM 0 HE22 GLN A 80 10.034 -4.560 1.318 1.00 0.56 H new