USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 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 6 ASN : amide:sc= 0.0993 K(o=-0.032,f=-2.2!) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.132 K(o=-0.032,f=-2.8) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= -0.109 F(o=-2.6,f=-0.11) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 130:sc= 1.31 (180deg=-1.3!) USER MOD Set 3.2: A 69 TYR OH : rot 30:sc= 0.447 USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0 K(o=0,f=-0.84) USER MOD Set 4.2: A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.0224 (180deg=-0.345) USER MOD Single : A 9 HIS : no HE2:sc= -2.76! C(o=-2.8!,f=-7.9!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0095 X(o=-0.0095,f=-0.053) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.149) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.336 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.7!) USER MOD Single : A 27 TYR OH : rot 178:sc= 1.1 USER MOD Single : A 28 CYS SG : rot -56:sc= 0.092 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -143:sc= -0.0246 (180deg=-2.87!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.2) USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 46 SER OG : rot 81:sc= 0.772 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 1.02 (180deg=-0.446) USER MOD Single : A 63 CYS SG : rot 150:sc= -1.24 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.17 (180deg=-0.588) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.752 K(o=-0.75,f=-1.6!) USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= 1.25 (180deg=0.97) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 0.721 (180deg=0.0563) USER MOD Single : A 96 MET CE :methyl -100:sc= -0.0259 (180deg=-0.485) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.0062) USER MOD Single : A 104 SER OG : rot 73:sc= 1.24 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00446 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.504 -13.458 -15.962 1.00 1.74 N ATOM 2 CA MET A 1 -8.847 -12.823 -16.047 1.00 1.02 C ATOM 3 C MET A 1 -8.947 -11.699 -15.013 1.00 0.87 C ATOM 4 O MET A 1 -9.768 -11.759 -14.092 1.00 1.29 O ATOM 5 CB MET A 1 -9.959 -13.857 -15.813 1.00 1.60 C ATOM 6 CG MET A 1 -9.972 -14.938 -16.896 1.00 2.33 C ATOM 7 SD MET A 1 -11.190 -16.225 -16.566 1.00 3.31 S ATOM 8 CE MET A 1 -10.121 -17.592 -16.082 1.00 4.33 C ATOM 0 H1 MET A 1 -7.107 -13.559 -16.918 1.00 1.74 H new ATOM 0 H2 MET A 1 -6.874 -12.863 -15.387 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.591 -14.396 -15.522 1.00 1.74 H new ATOM 0 HA MET A 1 -8.975 -12.410 -17.048 1.00 1.02 H new ATOM 0 HB2 MET A 1 -9.822 -14.323 -14.837 1.00 1.60 H new ATOM 0 HB3 MET A 1 -10.925 -13.353 -15.792 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.185 -14.479 -17.861 1.00 2.33 H new ATOM 0 HG3 MET A 1 -8.982 -15.388 -16.968 1.00 2.33 H new ATOM 0 HE1 MET A 1 -10.730 -18.464 -15.846 1.00 4.33 H new ATOM 0 HE2 MET A 1 -9.445 -17.833 -16.902 1.00 4.33 H new ATOM 0 HE3 MET A 1 -9.540 -17.307 -15.205 1.00 4.33 H new ATOM 20 N GLU A 2 -8.106 -10.674 -15.169 1.00 0.51 N ATOM 21 CA GLU A 2 -8.086 -9.524 -14.253 1.00 0.37 C ATOM 22 C GLU A 2 -7.971 -8.220 -15.038 1.00 0.34 C ATOM 23 O GLU A 2 -7.541 -8.213 -16.193 1.00 0.48 O ATOM 24 CB GLU A 2 -6.891 -9.611 -13.295 1.00 0.53 C ATOM 25 CG GLU A 2 -6.841 -10.926 -12.513 1.00 0.96 C ATOM 26 CD GLU A 2 -5.691 -10.897 -11.510 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.891 -9.935 -11.541 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.570 -11.842 -10.706 1.00 2.16 O ATOM 0 H GLU A 2 -7.424 -10.614 -15.925 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.016 -9.541 -13.685 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.968 -9.499 -13.864 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.935 -8.779 -12.592 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.785 -11.084 -11.991 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.713 -11.762 -13.200 1.00 0.96 H new ATOM 35 N GLY A 3 -8.336 -7.114 -14.398 1.00 0.25 N ATOM 36 CA GLY A 3 -8.254 -5.795 -15.024 1.00 0.28 C ATOM 37 C GLY A 3 -9.178 -4.799 -14.327 1.00 0.22 C ATOM 38 O GLY A 3 -10.064 -5.183 -13.555 1.00 0.22 O ATOM 0 H GLY A 3 -8.693 -7.103 -13.443 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.227 -5.433 -14.984 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.524 -5.871 -16.077 1.00 0.28 H new ATOM 42 N PHE A 4 -8.979 -3.513 -14.624 1.00 0.24 N ATOM 43 CA PHE A 4 -9.800 -2.443 -14.051 1.00 0.21 C ATOM 44 C PHE A 4 -11.005 -2.193 -14.949 1.00 0.22 C ATOM 45 O PHE A 4 -10.899 -2.216 -16.180 1.00 0.27 O ATOM 46 CB PHE A 4 -8.996 -1.148 -13.907 1.00 0.23 C ATOM 47 CG PHE A 4 -8.242 -1.037 -12.602 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.906 -0.691 -11.435 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.878 -1.295 -12.568 1.00 0.34 C ATOM 50 CE1 PHE A 4 -8.209 -0.605 -10.241 1.00 0.37 C ATOM 51 CE2 PHE A 4 -6.183 -1.204 -11.374 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.866 -0.810 -10.206 1.00 0.41 C ATOM 0 H PHE A 4 -8.253 -3.186 -15.261 1.00 0.24 H new ATOM 0 HA PHE A 4 -10.129 -2.756 -13.060 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.287 -1.079 -14.732 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.674 -0.299 -13.997 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.967 -0.489 -11.457 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.358 -1.567 -13.475 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.738 -0.373 -9.329 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -5.128 -1.433 -11.338 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.322 -0.671 -9.283 1.00 0.41 H new ATOM 62 N LEU A 5 -12.138 -1.945 -14.326 1.00 0.19 N ATOM 63 CA LEU A 5 -13.387 -1.682 -15.038 1.00 0.21 C ATOM 64 C LEU A 5 -14.208 -0.642 -14.277 1.00 0.20 C ATOM 65 O LEU A 5 -14.290 -0.679 -13.045 1.00 0.21 O ATOM 66 CB LEU A 5 -14.220 -2.976 -15.163 1.00 0.23 C ATOM 67 CG LEU A 5 -13.754 -3.907 -16.294 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.587 -5.192 -16.291 1.00 0.27 C ATOM 69 CD2 LEU A 5 -13.853 -3.213 -17.655 1.00 0.31 C ATOM 0 H LEU A 5 -12.227 -1.918 -13.310 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.142 -1.311 -16.033 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -14.177 -3.518 -14.218 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.264 -2.710 -15.331 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.708 -4.159 -16.120 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.250 -5.846 -17.095 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.467 -5.701 -15.335 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.638 -4.945 -16.441 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.517 -3.895 -18.436 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -14.888 -2.927 -17.843 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.225 -2.322 -17.656 1.00 0.31 H new ATOM 81 N ASN A 6 -14.863 0.244 -15.021 1.00 0.22 N ATOM 82 CA ASN A 6 -15.743 1.257 -14.433 1.00 0.23 C ATOM 83 C ASN A 6 -17.044 0.543 -14.082 1.00 0.22 C ATOM 84 O ASN A 6 -17.673 -0.026 -14.965 1.00 0.26 O ATOM 85 CB ASN A 6 -15.994 2.398 -15.442 1.00 0.28 C ATOM 86 CG ASN A 6 -15.852 3.780 -14.797 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.850 3.924 -13.573 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.728 4.808 -15.626 1.00 1.24 N ATOM 0 H ASN A 6 -14.802 0.283 -16.038 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.297 1.709 -13.547 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.290 2.311 -16.270 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.994 2.296 -15.862 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.627 5.753 -15.255 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.734 4.654 -16.634 1.00 1.24 H new ATOM 95 N ARG A 7 -17.403 0.507 -12.802 1.00 0.23 N ATOM 96 CA ARG A 7 -18.598 -0.212 -12.351 1.00 0.24 C ATOM 97 C ARG A 7 -19.673 0.735 -11.817 1.00 0.25 C ATOM 98 O ARG A 7 -19.496 1.372 -10.775 1.00 0.32 O ATOM 99 CB ARG A 7 -18.202 -1.218 -11.261 1.00 0.28 C ATOM 100 CG ARG A 7 -19.324 -2.230 -10.998 1.00 0.34 C ATOM 101 CD ARG A 7 -18.908 -3.292 -9.973 1.00 0.54 C ATOM 102 NE ARG A 7 -18.588 -2.677 -8.681 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.506 -2.039 -7.959 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.269 -2.725 -7.121 1.00 1.46 N ATOM 105 NH2 ARG A 7 -19.657 -0.724 -8.086 1.00 1.71 N ATOM 0 H ARG A 7 -16.884 0.968 -12.054 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.021 -0.732 -13.210 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.297 -1.746 -11.563 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.968 -0.685 -10.340 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.209 -1.705 -10.638 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.600 -2.717 -11.933 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.713 -4.015 -9.846 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.042 -3.841 -10.343 1.00 0.54 H new ATOM 0 HE ARG A 7 -17.634 -2.740 -8.325 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.150 -3.734 -7.033 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -20.975 -2.244 -6.564 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -19.069 -0.204 -8.737 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.361 -0.236 -7.532 1.00 1.71 H new ATOM 119 N LYS A 8 -20.804 0.776 -12.522 1.00 0.27 N ATOM 120 CA LYS A 8 -21.960 1.587 -12.131 1.00 0.29 C ATOM 121 C LYS A 8 -23.038 0.663 -11.588 1.00 0.29 C ATOM 122 O LYS A 8 -23.258 -0.416 -12.135 1.00 0.38 O ATOM 123 CB LYS A 8 -22.525 2.344 -13.334 1.00 0.36 C ATOM 124 CG LYS A 8 -23.393 3.528 -12.896 1.00 0.37 C ATOM 125 CD LYS A 8 -24.378 3.948 -14.001 1.00 0.50 C ATOM 126 CE LYS A 8 -25.835 3.732 -13.572 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.792 4.284 -14.575 1.00 1.02 N ATOM 0 H LYS A 8 -20.946 0.247 -13.382 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.646 2.309 -11.377 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.706 2.703 -13.957 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.117 1.665 -13.947 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.947 3.260 -11.996 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.754 4.372 -12.637 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.223 4.998 -14.247 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.176 3.375 -14.906 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.021 2.666 -13.439 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -26.005 4.208 -12.606 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.505 3.564 -14.807 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -27.263 5.123 -14.180 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.276 4.551 -15.437 1.00 1.02 H new ATOM 141 N HIS A 9 -23.713 1.089 -10.531 1.00 0.43 N ATOM 142 CA HIS A 9 -24.782 0.296 -9.921 1.00 0.52 C ATOM 143 C HIS A 9 -26.141 0.978 -10.111 1.00 0.58 C ATOM 144 O HIS A 9 -26.407 2.036 -9.544 1.00 0.73 O ATOM 145 CB HIS A 9 -24.490 0.036 -8.428 1.00 0.68 C ATOM 146 CG HIS A 9 -24.206 1.258 -7.596 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.153 1.225 -6.229 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.932 2.546 -7.923 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.863 2.401 -5.738 1.00 1.69 C ATOM 150 NE2 HIS A 9 -23.718 3.241 -6.747 1.00 1.75 N ATOM 0 H HIS A 9 -23.542 1.984 -10.072 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.820 -0.670 -10.425 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.344 -0.485 -7.995 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.636 -0.637 -8.356 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.318 0.391 -5.666 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.889 2.955 -8.922 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.760 2.644 -4.691 1.00 1.69 H new ATOM 158 N GLU A 10 -26.997 0.355 -10.915 1.00 0.60 N ATOM 159 CA GLU A 10 -28.343 0.871 -11.189 1.00 0.73 C ATOM 160 C GLU A 10 -29.347 0.229 -10.224 1.00 0.83 C ATOM 161 O GLU A 10 -30.242 0.895 -9.703 1.00 1.00 O ATOM 162 CB GLU A 10 -28.731 0.562 -12.641 1.00 0.79 C ATOM 163 CG GLU A 10 -29.902 1.436 -13.114 1.00 1.28 C ATOM 164 CD GLU A 10 -29.388 2.748 -13.690 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.002 2.779 -14.874 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.382 3.760 -12.965 1.00 1.72 O ATOM 0 H GLU A 10 -26.783 -0.519 -11.396 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.354 1.951 -11.044 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.870 0.724 -13.290 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.003 -0.490 -12.729 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.480 0.903 -13.868 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.574 1.637 -12.280 1.00 1.28 H new ATOM 173 N TRP A 11 -29.173 -1.075 -9.999 1.00 0.82 N ATOM 174 CA TRP A 11 -30.033 -1.862 -9.111 1.00 0.96 C ATOM 175 C TRP A 11 -29.148 -2.759 -8.243 1.00 0.94 C ATOM 176 O TRP A 11 -28.345 -3.542 -8.765 1.00 0.84 O ATOM 177 CB TRP A 11 -30.999 -2.703 -9.966 1.00 1.08 C ATOM 178 CG TRP A 11 -32.081 -3.388 -9.185 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.203 -2.814 -8.651 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.148 -4.791 -8.861 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.937 -3.787 -8.034 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.325 -4.998 -8.136 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.323 -5.890 -9.115 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.692 -6.249 -7.669 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.683 -7.146 -8.651 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.858 -7.325 -7.933 1.00 1.53 C ATOM 0 H TRP A 11 -28.426 -1.619 -10.431 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.620 -1.212 -8.463 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.460 -2.057 -10.713 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.425 -3.456 -10.506 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.464 -1.768 -8.708 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.826 -3.627 -7.560 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.407 -5.761 -9.672 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.607 -6.384 -7.112 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.043 -7.993 -8.850 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.124 -8.309 -7.578 1.00 1.53 H new ATOM 197 N GLU A 12 -29.281 -2.632 -6.923 1.00 1.16 N ATOM 198 CA GLU A 12 -28.479 -3.424 -5.979 1.00 1.26 C ATOM 199 C GLU A 12 -29.274 -3.766 -4.717 1.00 1.56 C ATOM 200 O GLU A 12 -28.694 -4.022 -3.662 1.00 2.03 O ATOM 201 CB GLU A 12 -27.189 -2.664 -5.617 1.00 1.34 C ATOM 202 CG GLU A 12 -27.465 -1.232 -5.135 1.00 1.63 C ATOM 203 CD GLU A 12 -26.173 -0.564 -4.667 1.00 1.81 C ATOM 204 OE1 GLU A 12 -25.083 -1.067 -4.994 1.00 2.05 O ATOM 205 OE2 GLU A 12 -26.246 0.469 -3.963 1.00 2.09 O ATOM 0 H GLU A 12 -29.936 -1.989 -6.479 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.215 -4.364 -6.464 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.656 -3.210 -4.838 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.534 -2.631 -6.488 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -27.910 -0.650 -5.942 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -28.188 -1.250 -4.319 1.00 1.63 H new ATOM 212 N ALA A 13 -30.598 -3.782 -4.836 1.00 1.77 N ATOM 213 CA ALA A 13 -31.486 -4.104 -3.719 1.00 2.14 C ATOM 214 C ALA A 13 -32.922 -4.184 -4.227 1.00 2.15 C ATOM 215 O ALA A 13 -33.311 -3.449 -5.138 1.00 2.54 O ATOM 216 CB ALA A 13 -31.366 -3.048 -2.613 1.00 2.70 C ATOM 0 H ALA A 13 -31.087 -3.573 -5.707 1.00 1.77 H new ATOM 0 HA ALA A 13 -31.198 -5.067 -3.297 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.034 -3.305 -1.791 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -30.339 -3.017 -2.250 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -31.640 -2.071 -3.011 1.00 2.70 H new ATOM 222 N HIS A 14 -33.707 -5.082 -3.638 1.00 2.38 N ATOM 223 CA HIS A 14 -35.110 -5.274 -4.031 1.00 2.81 C ATOM 224 C HIS A 14 -35.938 -4.032 -3.681 1.00 2.77 C ATOM 225 O HIS A 14 -36.136 -3.725 -2.505 1.00 3.31 O ATOM 226 CB HIS A 14 -35.701 -6.518 -3.338 1.00 3.51 C ATOM 227 CG HIS A 14 -35.240 -7.818 -3.943 1.00 3.99 C ATOM 228 ND1 HIS A 14 -35.966 -8.519 -4.874 1.00 4.73 N ATOM 229 CD2 HIS A 14 -34.120 -8.563 -3.746 1.00 4.33 C ATOM 230 CE1 HIS A 14 -35.348 -9.619 -5.227 1.00 5.34 C ATOM 231 NE2 HIS A 14 -34.208 -9.682 -4.557 1.00 5.13 N ATOM 0 H HIS A 14 -33.398 -5.694 -2.882 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.146 -5.427 -5.110 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -35.428 -6.500 -2.283 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -36.789 -6.469 -3.387 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -33.307 -8.325 -3.076 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -35.706 -10.347 -5.940 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -33.514 -10.426 -4.626 1.00 5.13 H new ATOM 239 N ASN A 15 -36.409 -3.323 -4.712 1.00 2.64 N ATOM 240 CA ASN A 15 -37.223 -2.098 -4.553 1.00 2.83 C ATOM 241 C ASN A 15 -36.356 -0.907 -4.100 1.00 2.48 C ATOM 242 O ASN A 15 -36.826 -0.025 -3.381 1.00 2.96 O ATOM 243 CB ASN A 15 -38.388 -2.340 -3.564 1.00 3.64 C ATOM 244 CG ASN A 15 -39.552 -1.373 -3.823 1.00 4.19 C ATOM 245 OD1 ASN A 15 -40.143 -1.368 -4.903 1.00 4.25 O ATOM 246 ND2 ASN A 15 -39.890 -0.565 -2.828 1.00 4.99 N ATOM 0 H ASN A 15 -36.240 -3.577 -5.685 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.647 -1.849 -5.526 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -38.739 -3.368 -3.657 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -38.031 -2.217 -2.542 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -40.664 0.090 -2.943 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -39.377 -0.598 -1.947 1.00 4.99 H new ATOM 253 N LYS A 16 -35.093 -0.885 -4.533 1.00 2.30 N ATOM 254 CA LYS A 16 -34.156 0.189 -4.187 1.00 2.46 C ATOM 255 C LYS A 16 -33.122 0.362 -5.307 1.00 2.10 C ATOM 256 O LYS A 16 -32.714 -0.612 -5.946 1.00 2.44 O ATOM 257 CB LYS A 16 -33.445 -0.137 -2.865 1.00 3.26 C ATOM 258 CG LYS A 16 -34.239 0.348 -1.651 1.00 3.87 C ATOM 259 CD LYS A 16 -33.384 0.291 -0.381 1.00 4.83 C ATOM 260 CE LYS A 16 -34.161 0.782 0.847 1.00 5.52 C ATOM 261 NZ LYS A 16 -33.929 2.232 1.111 1.00 6.03 N ATOM 0 H LYS A 16 -34.692 -1.607 -5.131 1.00 2.30 H new ATOM 0 HA LYS A 16 -34.713 1.119 -4.069 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -33.293 -1.214 -2.792 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -32.458 0.326 -2.861 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -34.580 1.369 -1.819 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -35.129 -0.268 -1.523 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -33.048 -0.732 -0.214 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -32.491 0.902 -0.515 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -35.226 0.607 0.696 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -33.863 0.202 1.720 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -34.472 2.524 1.949 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -32.916 2.396 1.280 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -34.237 2.788 0.288 1.00 6.03 H new ATOM 275 N LYS A 17 -32.695 1.606 -5.526 1.00 1.88 N ATOM 276 CA LYS A 17 -31.699 1.932 -6.557 1.00 1.62 C ATOM 277 C LYS A 17 -30.611 2.847 -5.986 1.00 1.62 C ATOM 278 O LYS A 17 -30.633 3.203 -4.802 1.00 2.06 O ATOM 279 CB LYS A 17 -32.382 2.593 -7.766 1.00 1.84 C ATOM 280 CG LYS A 17 -33.137 3.877 -7.389 1.00 2.30 C ATOM 281 CD LYS A 17 -33.607 4.629 -8.640 1.00 2.75 C ATOM 282 CE LYS A 17 -32.505 5.526 -9.218 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.195 6.675 -8.320 1.00 3.75 N ATOM 0 H LYS A 17 -33.025 2.415 -4.999 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.226 1.007 -6.888 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -31.631 2.826 -8.521 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -33.078 1.886 -8.217 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.996 3.628 -6.767 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -32.490 4.522 -6.795 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -33.925 3.911 -9.397 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -34.477 5.237 -8.392 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -31.603 4.936 -9.377 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -32.816 5.901 -10.193 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -31.689 7.408 -8.856 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -33.080 7.070 -7.944 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -31.599 6.349 -7.532 1.00 3.75 H new ATOM 297 N ALA A 18 -29.659 3.223 -6.839 1.00 1.43 N ATOM 298 CA ALA A 18 -28.543 4.094 -6.445 1.00 1.61 C ATOM 299 C ALA A 18 -28.907 5.573 -6.638 1.00 1.86 C ATOM 300 O ALA A 18 -30.069 5.912 -6.880 1.00 2.10 O ATOM 301 CB ALA A 18 -27.301 3.734 -7.267 1.00 1.58 C ATOM 0 H ALA A 18 -29.636 2.937 -7.818 1.00 1.43 H new ATOM 0 HA ALA A 18 -28.331 3.940 -5.387 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.472 4.379 -6.976 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -27.032 2.694 -7.084 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.514 3.873 -8.327 1.00 1.58 H new ATOM 307 N SER A 19 -27.909 6.456 -6.518 1.00 2.24 N ATOM 308 CA SER A 19 -28.120 7.901 -6.668 1.00 2.71 C ATOM 309 C SER A 19 -28.283 8.283 -8.151 1.00 2.85 C ATOM 310 O SER A 19 -29.399 8.531 -8.608 1.00 3.33 O ATOM 311 CB SER A 19 -26.951 8.672 -6.034 1.00 3.28 C ATOM 312 OG SER A 19 -26.693 8.198 -4.716 1.00 3.62 O ATOM 0 H SER A 19 -26.944 6.194 -6.317 1.00 2.24 H new ATOM 0 HA SER A 19 -29.041 8.172 -6.151 1.00 2.71 H new ATOM 0 HB2 SER A 19 -26.058 8.558 -6.648 1.00 3.28 H new ATOM 0 HB3 SER A 19 -27.184 9.736 -6.004 1.00 3.28 H new ATOM 0 HG SER A 19 -25.945 8.699 -4.329 1.00 3.62 H new ATOM 318 N SER A 20 -27.175 8.329 -8.899 1.00 2.92 N ATOM 319 CA SER A 20 -27.224 8.688 -10.320 1.00 3.46 C ATOM 320 C SER A 20 -25.865 8.455 -10.992 1.00 3.36 C ATOM 321 O SER A 20 -25.622 7.404 -11.587 1.00 3.74 O ATOM 322 CB SER A 20 -27.647 10.161 -10.469 1.00 4.13 C ATOM 323 OG SER A 20 -26.947 10.991 -9.544 1.00 4.31 O ATOM 0 H SER A 20 -26.240 8.124 -8.547 1.00 2.92 H new ATOM 0 HA SER A 20 -27.958 8.051 -10.814 1.00 3.46 H new ATOM 0 HB2 SER A 20 -27.450 10.498 -11.487 1.00 4.13 H new ATOM 0 HB3 SER A 20 -28.721 10.253 -10.305 1.00 4.13 H new ATOM 0 HG SER A 20 -27.232 11.922 -9.659 1.00 4.31 H new ATOM 329 N ARG A 21 -24.990 9.456 -10.893 1.00 3.28 N ATOM 330 CA ARG A 21 -23.644 9.413 -11.490 1.00 3.37 C ATOM 331 C ARG A 21 -22.660 8.628 -10.604 1.00 2.30 C ATOM 332 O ARG A 21 -21.489 8.989 -10.497 1.00 2.78 O ATOM 333 CB ARG A 21 -23.141 10.854 -11.695 1.00 4.44 C ATOM 334 CG ARG A 21 -22.054 10.940 -12.779 1.00 5.18 C ATOM 335 CD ARG A 21 -20.862 11.795 -12.332 1.00 5.89 C ATOM 336 NE ARG A 21 -21.313 13.113 -11.875 1.00 6.25 N ATOM 337 CZ ARG A 21 -20.642 13.820 -10.966 1.00 6.92 C ATOM 338 NH1 ARG A 21 -20.602 13.413 -9.704 1.00 7.43 N ATOM 339 NH2 ARG A 21 -19.987 14.913 -11.331 1.00 7.30 N ATOM 0 H ARG A 21 -25.190 10.324 -10.396 1.00 3.28 H new ATOM 0 HA ARG A 21 -23.703 8.898 -12.449 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -23.979 11.494 -11.971 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -22.745 11.236 -10.754 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -21.708 9.936 -13.025 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -22.482 11.362 -13.688 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -20.326 11.290 -11.528 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -20.161 11.911 -13.159 1.00 5.89 H new ATOM 0 HE ARG A 21 -22.171 13.503 -12.267 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -21.085 12.558 -9.428 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -20.088 13.955 -9.009 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -19.997 15.212 -12.306 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -19.473 15.455 -10.637 1.00 7.30 H new ATOM 353 N SER A 22 -23.143 7.552 -9.984 1.00 1.32 N ATOM 354 CA SER A 22 -22.322 6.705 -9.114 1.00 0.74 C ATOM 355 C SER A 22 -21.505 5.711 -9.957 1.00 0.68 C ATOM 356 O SER A 22 -21.986 4.621 -10.287 1.00 1.69 O ATOM 357 CB SER A 22 -23.230 5.953 -8.130 1.00 1.62 C ATOM 358 OG SER A 22 -24.176 6.835 -7.522 1.00 1.86 O ATOM 0 H SER A 22 -24.111 7.242 -10.069 1.00 1.32 H new ATOM 0 HA SER A 22 -21.627 7.330 -8.553 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.757 5.156 -8.654 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.622 5.480 -7.359 1.00 1.62 H new ATOM 0 HG SER A 22 -24.742 6.330 -6.902 1.00 1.86 H new ATOM 364 N TRP A 23 -20.274 6.106 -10.300 1.00 0.69 N ATOM 365 CA TRP A 23 -19.356 5.284 -11.109 1.00 0.41 C ATOM 366 C TRP A 23 -18.084 4.991 -10.307 1.00 0.40 C ATOM 367 O TRP A 23 -17.299 5.902 -10.029 1.00 0.55 O ATOM 368 CB TRP A 23 -18.998 6.030 -12.409 1.00 0.43 C ATOM 369 CG TRP A 23 -19.986 5.798 -13.516 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.025 6.611 -13.886 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.022 4.664 -14.412 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.685 6.032 -14.938 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.101 4.848 -15.284 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.244 3.508 -14.552 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.413 3.922 -16.274 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.550 2.585 -15.542 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.626 2.789 -16.394 1.00 0.31 C ATOM 0 H TRP A 23 -19.882 7.007 -10.026 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.843 4.342 -11.362 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.938 7.099 -12.202 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.009 5.714 -12.741 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.282 7.553 -13.424 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.502 6.432 -15.400 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.408 3.335 -13.891 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.252 4.083 -16.935 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.944 1.698 -15.651 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.851 2.058 -17.157 1.00 0.31 H new ATOM 388 N HIS A 24 -17.890 3.725 -9.932 1.00 0.37 N ATOM 389 CA HIS A 24 -16.726 3.295 -9.150 1.00 0.45 C ATOM 390 C HIS A 24 -15.751 2.495 -10.029 1.00 0.36 C ATOM 391 O HIS A 24 -16.137 1.500 -10.644 1.00 0.34 O ATOM 392 CB HIS A 24 -17.221 2.435 -7.973 1.00 0.61 C ATOM 393 CG HIS A 24 -16.141 1.851 -7.109 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.965 2.489 -6.802 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.065 0.659 -6.476 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.213 1.742 -6.027 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.857 0.608 -5.802 1.00 2.74 N ATOM 0 H HIS A 24 -18.534 2.968 -10.161 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.192 4.167 -8.772 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.874 3.044 -7.348 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.828 1.620 -8.369 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -14.709 3.420 -7.132 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.815 -0.118 -6.493 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.240 2.007 -5.641 1.00 2.98 H new ATOM 405 N ASN A 25 -14.483 2.911 -10.049 1.00 0.37 N ATOM 406 CA ASN A 25 -13.436 2.215 -10.810 1.00 0.35 C ATOM 407 C ASN A 25 -12.889 1.096 -9.925 1.00 0.34 C ATOM 408 O ASN A 25 -12.107 1.348 -9.003 1.00 0.55 O ATOM 409 CB ASN A 25 -12.322 3.198 -11.214 1.00 0.44 C ATOM 410 CG ASN A 25 -11.433 2.611 -12.318 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.835 1.701 -13.046 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.225 3.133 -12.449 1.00 1.49 N ATOM 0 H ASN A 25 -14.152 3.733 -9.544 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.843 1.796 -11.730 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.766 4.132 -11.560 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.713 3.438 -10.343 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.594 2.783 -13.170 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.925 3.885 -11.829 1.00 1.49 H new ATOM 419 N VAL A 26 -13.354 -0.126 -10.172 1.00 0.22 N ATOM 420 CA VAL A 26 -12.973 -1.288 -9.366 1.00 0.21 C ATOM 421 C VAL A 26 -12.147 -2.297 -10.175 1.00 0.18 C ATOM 422 O VAL A 26 -12.211 -2.339 -11.407 1.00 0.23 O ATOM 423 CB VAL A 26 -14.258 -1.932 -8.799 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.931 -2.860 -9.817 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.986 -2.672 -7.492 1.00 0.31 C ATOM 0 H VAL A 26 -14.001 -0.340 -10.931 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.334 -0.963 -8.545 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.949 -1.116 -8.587 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.830 -3.291 -9.377 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.200 -2.290 -10.707 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.242 -3.659 -10.092 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.913 -3.112 -7.123 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.254 -3.461 -7.666 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.597 -1.973 -6.752 1.00 0.31 H new ATOM 435 N TYR A 27 -11.388 -3.122 -9.451 1.00 0.16 N ATOM 436 CA TYR A 27 -10.544 -4.167 -10.040 1.00 0.16 C ATOM 437 C TYR A 27 -11.308 -5.489 -9.999 1.00 0.19 C ATOM 438 O TYR A 27 -11.501 -6.069 -8.928 1.00 0.34 O ATOM 439 CB TYR A 27 -9.235 -4.273 -9.245 1.00 0.17 C ATOM 440 CG TYR A 27 -8.158 -5.084 -9.934 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.336 -4.485 -10.872 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.979 -6.418 -9.613 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.337 -5.219 -11.488 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.979 -7.152 -10.233 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.164 -6.548 -11.166 1.00 0.29 C ATOM 446 OH TYR A 27 -5.167 -7.277 -11.777 1.00 0.37 O ATOM 0 H TYR A 27 -11.340 -3.085 -8.433 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.300 -3.924 -11.074 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.854 -3.269 -9.057 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.447 -4.721 -8.274 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.474 -3.444 -11.124 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.618 -6.888 -8.880 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.695 -4.751 -12.219 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.839 -8.194 -9.985 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.158 -8.187 -11.415 1.00 0.37 H new ATOM 456 N CYS A 28 -11.761 -5.950 -11.162 1.00 0.16 N ATOM 457 CA CYS A 28 -12.529 -7.195 -11.266 1.00 0.19 C ATOM 458 C CYS A 28 -11.607 -8.378 -11.559 1.00 0.19 C ATOM 459 O CYS A 28 -10.688 -8.275 -12.373 1.00 0.23 O ATOM 460 CB CYS A 28 -13.581 -7.059 -12.375 1.00 0.23 C ATOM 461 SG CYS A 28 -14.592 -5.581 -12.187 1.00 0.34 S ATOM 0 H CYS A 28 -11.610 -5.478 -12.054 1.00 0.16 H new ATOM 0 HA CYS A 28 -13.027 -7.379 -10.314 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.082 -7.033 -13.344 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.225 -7.939 -12.371 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.154 -5.586 -11.015 1.00 0.34 H new ATOM 467 N VAL A 29 -11.860 -9.500 -10.882 1.00 0.21 N ATOM 468 CA VAL A 29 -11.069 -10.724 -11.047 1.00 0.24 C ATOM 469 C VAL A 29 -12.004 -11.938 -11.095 1.00 0.26 C ATOM 470 O VAL A 29 -12.633 -12.277 -10.095 1.00 0.38 O ATOM 471 CB VAL A 29 -10.081 -10.870 -9.876 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.235 -12.139 -10.026 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.177 -9.640 -9.771 1.00 0.33 C ATOM 0 H VAL A 29 -12.618 -9.587 -10.205 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.507 -10.666 -11.979 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.663 -10.952 -8.958 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.545 -12.218 -9.186 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.888 -13.012 -10.043 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.669 -12.091 -10.956 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.487 -9.766 -8.937 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.611 -9.524 -10.695 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.788 -8.752 -9.606 1.00 0.33 H new ATOM 483 N ILE A 30 -12.085 -12.598 -12.251 1.00 0.28 N ATOM 484 CA ILE A 30 -12.937 -13.786 -12.409 1.00 0.32 C ATOM 485 C ILE A 30 -12.167 -15.021 -11.943 1.00 0.35 C ATOM 486 O ILE A 30 -11.015 -15.221 -12.338 1.00 0.44 O ATOM 487 CB ILE A 30 -13.384 -13.961 -13.875 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.601 -12.600 -14.556 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.668 -14.793 -13.943 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.099 -12.749 -16.000 1.00 0.57 C ATOM 0 H ILE A 30 -11.573 -12.334 -13.093 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.833 -13.658 -11.802 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.590 -14.485 -14.408 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.323 -12.019 -13.982 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.666 -12.040 -14.552 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.972 -14.909 -14.983 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.489 -15.775 -13.506 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.459 -14.288 -13.388 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.238 -11.762 -16.441 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.365 -13.306 -16.582 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.048 -13.285 -16.004 1.00 0.57 H new ATOM 502 N ASN A 31 -12.795 -15.839 -11.100 1.00 0.46 N ATOM 503 CA ASN A 31 -12.160 -17.056 -10.577 1.00 0.58 C ATOM 504 C ASN A 31 -13.114 -18.248 -10.695 1.00 0.71 C ATOM 505 O ASN A 31 -13.229 -19.053 -9.770 1.00 1.20 O ATOM 506 CB ASN A 31 -11.725 -16.835 -9.113 1.00 0.73 C ATOM 507 CG ASN A 31 -10.547 -17.747 -8.746 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.462 -17.641 -9.323 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.752 -18.636 -7.784 1.00 1.47 N ATOM 0 H ASN A 31 -13.745 -15.684 -10.762 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.272 -17.278 -11.169 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.442 -15.793 -8.967 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.564 -17.033 -8.447 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.998 -19.261 -7.499 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.663 -18.694 -7.329 1.00 1.47 H new ATOM 516 N ASN A 32 -13.777 -18.360 -11.858 1.00 0.85 N ATOM 517 CA ASN A 32 -14.715 -19.460 -12.159 1.00 1.00 C ATOM 518 C ASN A 32 -15.955 -19.441 -11.248 1.00 1.00 C ATOM 519 O ASN A 32 -15.846 -19.569 -10.026 1.00 1.97 O ATOM 520 CB ASN A 32 -13.989 -20.813 -12.045 1.00 1.24 C ATOM 521 CG ASN A 32 -14.750 -21.899 -12.805 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.719 -21.944 -14.036 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.431 -22.775 -12.081 1.00 2.52 N ATOM 0 H ASN A 32 -13.679 -17.689 -12.620 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.068 -19.317 -13.180 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.978 -20.724 -12.443 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.895 -21.094 -10.996 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.954 -23.520 -12.541 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.432 -22.704 -11.063 1.00 2.52 H new ATOM 530 N GLN A 33 -17.137 -19.306 -11.859 1.00 0.75 N ATOM 531 CA GLN A 33 -18.424 -19.297 -11.137 1.00 0.67 C ATOM 532 C GLN A 33 -18.650 -18.004 -10.328 1.00 0.56 C ATOM 533 O GLN A 33 -19.815 -17.631 -10.080 1.00 0.71 O ATOM 534 CB GLN A 33 -18.535 -20.527 -10.220 1.00 0.83 C ATOM 535 CG GLN A 33 -19.994 -20.921 -9.983 1.00 1.46 C ATOM 536 CD GLN A 33 -20.070 -22.213 -9.175 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.398 -23.271 -9.710 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.754 -22.131 -7.892 1.00 2.67 N ATOM 0 H GLN A 33 -17.234 -19.199 -12.869 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.207 -19.336 -11.894 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.999 -21.364 -10.667 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.055 -20.314 -9.265 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.512 -20.122 -9.453 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.502 -21.051 -10.938 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.487 -21.233 -7.489 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.777 -22.966 -7.307 1.00 2.67 H new ATOM 547 N GLU A 34 -17.553 -17.339 -9.902 1.00 0.53 N ATOM 548 CA GLU A 34 -17.628 -16.112 -9.110 1.00 0.49 C ATOM 549 C GLU A 34 -16.515 -15.139 -9.510 1.00 0.45 C ATOM 550 O GLU A 34 -15.490 -15.541 -10.075 1.00 0.64 O ATOM 551 CB GLU A 34 -17.526 -16.465 -7.620 1.00 0.61 C ATOM 552 CG GLU A 34 -16.242 -17.243 -7.295 1.00 1.25 C ATOM 553 CD GLU A 34 -16.208 -17.630 -5.822 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.207 -18.189 -5.325 1.00 1.79 O ATOM 555 OE2 GLU A 34 -15.181 -17.381 -5.161 1.00 1.89 O ATOM 0 H GLU A 34 -16.600 -17.644 -10.101 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.583 -15.622 -9.300 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.554 -15.550 -7.029 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.392 -17.059 -7.329 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.187 -18.139 -7.913 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.371 -16.635 -7.537 1.00 1.25 H new ATOM 562 N MET A 35 -16.722 -13.862 -9.199 1.00 0.36 N ATOM 563 CA MET A 35 -15.755 -12.806 -9.495 1.00 0.35 C ATOM 564 C MET A 35 -15.483 -11.994 -8.226 1.00 0.32 C ATOM 565 O MET A 35 -16.397 -11.737 -7.440 1.00 0.42 O ATOM 566 CB MET A 35 -16.275 -11.896 -10.618 1.00 0.41 C ATOM 567 CG MET A 35 -17.496 -11.074 -10.188 1.00 0.43 C ATOM 568 SD MET A 35 -18.221 -10.148 -11.553 1.00 0.60 S ATOM 569 CE MET A 35 -16.887 -9.011 -11.967 1.00 1.25 C ATOM 0 H MET A 35 -17.566 -13.529 -8.734 1.00 0.36 H new ATOM 0 HA MET A 35 -14.824 -13.260 -9.835 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.479 -11.221 -10.933 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.537 -12.505 -11.483 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.248 -11.740 -9.766 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.204 -10.382 -9.398 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.306 -8.044 -12.246 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.233 -8.888 -11.104 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.313 -9.412 -12.802 1.00 1.25 H new ATOM 579 N GLY A 36 -14.227 -11.602 -8.033 1.00 0.27 N ATOM 580 CA GLY A 36 -13.812 -10.824 -6.863 1.00 0.29 C ATOM 581 C GLY A 36 -13.608 -9.353 -7.220 1.00 0.25 C ATOM 582 O GLY A 36 -12.975 -9.031 -8.231 1.00 0.28 O ATOM 0 H GLY A 36 -13.467 -11.813 -8.680 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.566 -10.910 -6.080 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.886 -11.235 -6.460 1.00 0.29 H new ATOM 586 N PHE A 37 -14.136 -8.467 -6.374 1.00 0.24 N ATOM 587 CA PHE A 37 -14.016 -7.014 -6.557 1.00 0.25 C ATOM 588 C PHE A 37 -12.965 -6.479 -5.588 1.00 0.25 C ATOM 589 O PHE A 37 -13.243 -6.289 -4.400 1.00 0.40 O ATOM 590 CB PHE A 37 -15.362 -6.324 -6.298 1.00 0.30 C ATOM 591 CG PHE A 37 -16.386 -6.592 -7.381 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.129 -6.214 -8.693 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.579 -7.224 -7.071 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.063 -6.466 -9.683 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.513 -7.473 -8.062 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.254 -7.097 -9.369 1.00 0.33 C ATOM 0 H PHE A 37 -14.660 -8.734 -5.541 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.717 -6.805 -7.584 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.758 -6.662 -5.340 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.202 -5.249 -6.216 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.199 -5.723 -8.941 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.781 -7.523 -6.053 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.862 -6.170 -10.702 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.444 -7.961 -7.815 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.981 -7.296 -10.143 1.00 0.33 H new ATOM 606 N TYR A 38 -11.757 -6.252 -6.095 1.00 0.20 N ATOM 607 CA TYR A 38 -10.639 -5.751 -5.283 1.00 0.21 C ATOM 608 C TYR A 38 -10.324 -4.290 -5.616 1.00 0.21 C ATOM 609 O TYR A 38 -10.953 -3.680 -6.487 1.00 0.23 O ATOM 610 CB TYR A 38 -9.398 -6.618 -5.527 1.00 0.23 C ATOM 611 CG TYR A 38 -9.597 -8.066 -5.143 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.445 -8.460 -3.825 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.942 -8.999 -6.107 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.632 -9.783 -3.471 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.127 -10.324 -5.754 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.952 -10.715 -4.443 1.00 0.44 C ATOM 617 OH TYR A 38 -10.161 -12.025 -4.081 1.00 0.55 O ATOM 0 H TYR A 38 -11.520 -6.407 -7.075 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.926 -5.805 -4.233 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.126 -6.563 -6.581 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.561 -6.210 -4.960 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.180 -7.733 -3.072 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.067 -8.692 -7.135 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.529 -10.088 -2.440 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.408 -11.050 -6.503 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.378 -12.554 -4.877 1.00 0.55 H new ATOM 627 N LYS A 39 -9.332 -3.740 -4.915 1.00 0.25 N ATOM 628 CA LYS A 39 -8.896 -2.354 -5.113 1.00 0.29 C ATOM 629 C LYS A 39 -7.951 -2.250 -6.320 1.00 0.28 C ATOM 630 O LYS A 39 -7.996 -1.277 -7.071 1.00 0.33 O ATOM 631 CB LYS A 39 -8.195 -1.857 -3.838 1.00 0.36 C ATOM 632 CG LYS A 39 -8.053 -0.331 -3.820 1.00 0.70 C ATOM 633 CD LYS A 39 -7.969 0.210 -2.386 1.00 1.15 C ATOM 634 CE LYS A 39 -6.673 0.988 -2.149 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.481 0.090 -2.148 1.00 2.51 N ATOM 0 H LYS A 39 -8.809 -4.239 -4.196 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.767 -1.730 -5.314 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.761 -2.179 -2.964 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.208 -2.314 -3.765 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.159 -0.041 -4.372 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.903 0.121 -4.331 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.823 0.858 -2.191 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.030 -0.619 -1.680 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.557 1.746 -2.924 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.733 1.513 -1.196 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -4.622 0.653 -1.985 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.580 -0.618 -1.392 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -5.409 -0.392 -3.067 1.00 2.51 H new ATOM 649 N ASP A 40 -7.096 -3.264 -6.494 1.00 0.28 N ATOM 650 CA ASP A 40 -6.127 -3.313 -7.599 1.00 0.32 C ATOM 651 C ASP A 40 -5.516 -4.719 -7.706 1.00 0.33 C ATOM 652 O ASP A 40 -5.991 -5.665 -7.065 1.00 0.32 O ATOM 653 CB ASP A 40 -5.021 -2.248 -7.402 1.00 0.38 C ATOM 654 CG ASP A 40 -3.999 -2.670 -6.341 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.390 -2.852 -5.173 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.805 -2.810 -6.676 1.00 0.94 O ATOM 0 H ASP A 40 -7.055 -4.073 -5.875 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.648 -3.090 -8.530 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.510 -2.077 -8.349 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.477 -1.302 -7.110 1.00 0.38 H new ATOM 661 N ALA A 41 -4.451 -4.844 -8.507 1.00 0.40 N ATOM 662 CA ALA A 41 -3.752 -6.122 -8.702 1.00 0.45 C ATOM 663 C ALA A 41 -3.114 -6.608 -7.396 1.00 0.45 C ATOM 664 O ALA A 41 -3.157 -7.799 -7.084 1.00 0.47 O ATOM 665 CB ALA A 41 -2.679 -5.975 -9.783 1.00 0.55 C ATOM 0 H ALA A 41 -4.051 -4.069 -9.035 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.485 -6.863 -9.020 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.167 -6.928 -9.920 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.146 -5.676 -10.721 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.958 -5.216 -9.479 1.00 0.55 H new ATOM 671 N LYS A 42 -2.544 -5.674 -6.625 1.00 0.46 N ATOM 672 CA LYS A 42 -1.911 -5.997 -5.337 1.00 0.48 C ATOM 673 C LYS A 42 -2.958 -6.540 -4.353 1.00 0.43 C ATOM 674 O LYS A 42 -2.740 -7.561 -3.695 1.00 0.47 O ATOM 675 CB LYS A 42 -1.244 -4.746 -4.748 1.00 0.54 C ATOM 676 CG LYS A 42 -0.097 -4.238 -5.627 1.00 0.77 C ATOM 677 CD LYS A 42 0.716 -3.147 -4.916 1.00 1.12 C ATOM 678 CE LYS A 42 0.465 -1.760 -5.523 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.961 -1.345 -5.397 1.00 2.76 N ATOM 0 H LYS A 42 -2.507 -4.685 -6.870 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.151 -6.761 -5.504 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.989 -3.958 -4.633 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.864 -4.973 -3.752 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.558 -5.069 -5.888 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.499 -3.844 -6.560 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.457 -3.132 -3.857 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.778 -3.385 -4.981 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.101 -1.027 -5.027 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.749 -1.768 -6.575 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -1.074 -0.376 -5.758 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -1.561 -1.992 -5.948 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.245 -1.377 -4.397 1.00 2.76 H new ATOM 693 N SER A 43 -4.102 -5.850 -4.282 1.00 0.38 N ATOM 694 CA SER A 43 -5.217 -6.234 -3.406 1.00 0.38 C ATOM 695 C SER A 43 -5.765 -7.621 -3.785 1.00 0.39 C ATOM 696 O SER A 43 -6.160 -8.396 -2.914 1.00 0.45 O ATOM 697 CB SER A 43 -6.327 -5.173 -3.504 1.00 0.37 C ATOM 698 OG SER A 43 -7.417 -5.469 -2.635 1.00 1.04 O ATOM 0 H SER A 43 -4.282 -5.009 -4.830 1.00 0.38 H new ATOM 0 HA SER A 43 -4.856 -6.290 -2.379 1.00 0.38 H new ATOM 0 HB2 SER A 43 -5.918 -4.194 -3.254 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.686 -5.116 -4.532 1.00 0.37 H new ATOM 0 HG SER A 43 -7.841 -4.634 -2.347 1.00 1.04 H new ATOM 704 N ALA A 44 -5.780 -7.923 -5.085 1.00 0.37 N ATOM 705 CA ALA A 44 -6.273 -9.211 -5.587 1.00 0.43 C ATOM 706 C ALA A 44 -5.247 -10.324 -5.347 1.00 0.51 C ATOM 707 O ALA A 44 -5.589 -11.399 -4.847 1.00 0.59 O ATOM 708 CB ALA A 44 -6.579 -9.099 -7.081 1.00 0.43 C ATOM 0 H ALA A 44 -5.454 -7.289 -5.815 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.184 -9.465 -5.046 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.945 -10.057 -7.450 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.339 -8.334 -7.240 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.671 -8.825 -7.619 1.00 0.43 H new ATOM 714 N ALA A 45 -3.990 -10.061 -5.714 1.00 0.54 N ATOM 715 CA ALA A 45 -2.898 -11.033 -5.560 1.00 0.64 C ATOM 716 C ALA A 45 -2.658 -11.395 -4.089 1.00 0.68 C ATOM 717 O ALA A 45 -2.566 -12.573 -3.741 1.00 0.76 O ATOM 718 CB ALA A 45 -1.613 -10.470 -6.168 1.00 0.69 C ATOM 0 H ALA A 45 -3.699 -9.174 -6.124 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.189 -11.943 -6.084 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.807 -11.195 -6.051 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.769 -10.269 -7.228 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.345 -9.544 -5.659 1.00 0.69 H new ATOM 724 N SER A 46 -2.550 -10.381 -3.230 1.00 0.65 N ATOM 725 CA SER A 46 -2.311 -10.596 -1.793 1.00 0.73 C ATOM 726 C SER A 46 -3.559 -11.149 -1.087 1.00 0.74 C ATOM 727 O SER A 46 -3.454 -11.748 -0.013 1.00 0.84 O ATOM 728 CB SER A 46 -1.881 -9.285 -1.131 1.00 0.75 C ATOM 729 OG SER A 46 -0.859 -8.649 -1.887 1.00 1.21 O ATOM 0 H SER A 46 -2.624 -9.400 -3.500 1.00 0.65 H new ATOM 0 HA SER A 46 -1.515 -11.334 -1.697 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.740 -8.620 -1.040 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.523 -9.483 -0.121 1.00 0.75 H new ATOM 0 HG SER A 46 -1.261 -8.162 -2.636 1.00 1.21 H new ATOM 735 N GLY A 47 -4.737 -10.942 -1.685 1.00 0.70 N ATOM 736 CA GLY A 47 -6.005 -11.413 -1.115 1.00 0.74 C ATOM 737 C GLY A 47 -6.420 -10.546 0.070 1.00 0.75 C ATOM 738 O GLY A 47 -6.463 -11.014 1.210 1.00 0.88 O ATOM 0 H GLY A 47 -4.839 -10.447 -2.571 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.783 -11.391 -1.878 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -5.902 -12.450 -0.795 1.00 0.74 H new ATOM 742 N ILE A 48 -6.717 -9.279 -0.214 1.00 0.67 N ATOM 743 CA ILE A 48 -7.130 -8.318 0.812 1.00 0.72 C ATOM 744 C ILE A 48 -8.613 -7.975 0.625 1.00 0.75 C ATOM 745 O ILE A 48 -9.027 -7.580 -0.469 1.00 0.75 O ATOM 746 CB ILE A 48 -6.263 -7.049 0.716 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.815 -7.364 1.121 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.822 -5.920 1.589 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.849 -6.291 0.631 1.00 0.97 C ATOM 0 H ILE A 48 -6.679 -8.889 -1.156 1.00 0.67 H new ATOM 0 HA ILE A 48 -6.994 -8.756 1.801 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.280 -6.711 -0.320 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.750 -7.445 2.206 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.524 -8.331 0.711 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.186 -5.040 1.497 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.832 -5.673 1.262 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.847 -6.243 2.630 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.835 -6.548 0.936 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.896 -6.228 -0.456 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.125 -5.329 1.062 1.00 0.97 H new ATOM 761 N PRO A 49 -9.435 -8.124 1.689 1.00 0.84 N ATOM 762 CA PRO A 49 -10.882 -7.831 1.629 1.00 0.93 C ATOM 763 C PRO A 49 -11.164 -6.324 1.527 1.00 0.93 C ATOM 764 O PRO A 49 -11.182 -5.612 2.536 1.00 1.08 O ATOM 765 CB PRO A 49 -11.431 -8.414 2.932 1.00 1.07 C ATOM 766 CG PRO A 49 -10.274 -8.426 3.874 1.00 1.06 C ATOM 767 CD PRO A 49 -9.032 -8.598 3.031 1.00 0.92 C ATOM 0 HA PRO A 49 -11.350 -8.261 0.744 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.249 -7.807 3.321 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -11.824 -9.419 2.779 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.229 -7.498 4.445 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.369 -9.239 4.594 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.199 -8.016 3.425 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -8.709 -9.639 3.005 1.00 0.92 H new ATOM 775 N TYR A 50 -11.377 -5.855 0.297 1.00 0.87 N ATOM 776 CA TYR A 50 -11.657 -4.438 0.022 1.00 0.91 C ATOM 777 C TYR A 50 -13.086 -4.067 0.449 1.00 1.12 C ATOM 778 O TYR A 50 -13.326 -2.968 0.947 1.00 1.91 O ATOM 779 CB TYR A 50 -11.459 -4.158 -1.476 1.00 0.92 C ATOM 780 CG TYR A 50 -11.722 -2.720 -1.867 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.128 -1.684 -1.160 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.557 -2.434 -2.932 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.373 -0.370 -1.520 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.799 -1.122 -3.291 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.206 -0.097 -2.584 1.00 1.17 C ATOM 786 OH TYR A 50 -12.450 1.209 -2.943 1.00 1.34 O ATOM 0 H TYR A 50 -11.361 -6.442 -0.537 1.00 0.87 H new ATOM 0 HA TYR A 50 -10.965 -3.826 0.600 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.438 -4.420 -1.753 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.121 -4.808 -2.048 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.474 -1.903 -0.329 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.021 -3.238 -3.484 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.914 0.438 -0.970 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.451 -0.900 -4.123 1.00 1.24 H new ATOM 0 HH TYR A 50 -11.670 1.760 -2.722 1.00 1.34 H new ATOM 796 N HIS A 51 -14.020 -5.001 0.256 1.00 1.28 N ATOM 797 CA HIS A 51 -15.434 -4.811 0.615 1.00 1.53 C ATOM 798 C HIS A 51 -15.882 -5.935 1.560 1.00 1.61 C ATOM 799 O HIS A 51 -15.093 -6.825 1.900 1.00 2.07 O ATOM 800 CB HIS A 51 -16.299 -4.819 -0.667 1.00 2.01 C ATOM 801 CG HIS A 51 -16.597 -3.447 -1.211 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.792 -3.119 -1.800 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.861 -2.306 -1.262 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.801 -1.868 -2.188 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.632 -1.333 -1.875 1.00 3.74 N ATOM 0 H HIS A 51 -13.820 -5.913 -0.154 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.556 -3.853 1.121 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.788 -5.400 -1.435 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.240 -5.327 -0.456 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.855 -2.181 -0.891 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.620 -1.362 -2.678 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -16.348 -0.370 -2.054 1.00 3.74 H new ATOM 813 N SER A 52 -17.154 -5.900 1.969 1.00 1.60 N ATOM 814 CA SER A 52 -17.719 -6.926 2.859 1.00 1.96 C ATOM 815 C SER A 52 -17.828 -8.261 2.108 1.00 1.85 C ATOM 816 O SER A 52 -17.276 -9.275 2.540 1.00 2.45 O ATOM 817 CB SER A 52 -19.099 -6.489 3.370 1.00 2.44 C ATOM 818 OG SER A 52 -19.077 -5.132 3.807 1.00 2.65 O ATOM 0 H SER A 52 -17.815 -5.172 1.699 1.00 1.60 H new ATOM 0 HA SER A 52 -17.059 -7.053 3.717 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.838 -6.607 2.578 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.407 -7.135 4.192 1.00 2.44 H new ATOM 0 HG SER A 52 -19.968 -4.877 4.126 1.00 2.65 H new ATOM 824 N GLU A 53 -18.518 -8.228 0.966 1.00 1.45 N ATOM 825 CA GLU A 53 -18.696 -9.395 0.098 1.00 1.37 C ATOM 826 C GLU A 53 -17.875 -9.175 -1.169 1.00 1.08 C ATOM 827 O GLU A 53 -18.375 -8.630 -2.155 1.00 1.24 O ATOM 828 CB GLU A 53 -20.178 -9.569 -0.263 1.00 1.73 C ATOM 829 CG GLU A 53 -21.016 -9.991 0.947 1.00 2.39 C ATOM 830 CD GLU A 53 -20.712 -11.431 1.348 1.00 2.88 C ATOM 831 OE1 GLU A 53 -20.376 -12.237 0.457 1.00 3.46 O ATOM 832 OE2 GLU A 53 -20.803 -11.757 2.552 1.00 3.23 O ATOM 0 H GLU A 53 -18.972 -7.385 0.615 1.00 1.45 H new ATOM 0 HA GLU A 53 -18.363 -10.296 0.613 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.566 -8.633 -0.664 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.274 -10.317 -1.050 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -20.811 -9.325 1.786 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.076 -9.891 0.712 1.00 2.39 H new ATOM 839 N VAL A 54 -16.605 -9.574 -1.124 1.00 0.84 N ATOM 840 CA VAL A 54 -15.691 -9.396 -2.256 1.00 0.66 C ATOM 841 C VAL A 54 -15.988 -10.385 -3.397 1.00 0.55 C ATOM 842 O VAL A 54 -16.040 -9.973 -4.557 1.00 0.49 O ATOM 843 CB VAL A 54 -14.228 -9.516 -1.782 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.251 -9.429 -2.962 1.00 0.77 C ATOM 845 CG2 VAL A 54 -13.913 -8.431 -0.748 1.00 1.34 C ATOM 0 H VAL A 54 -16.182 -10.025 -0.313 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.848 -8.395 -2.658 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.105 -10.494 -1.317 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.228 -9.517 -2.595 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.455 -10.238 -3.664 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.374 -8.471 -3.467 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -12.877 -8.528 -0.423 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.062 -7.448 -1.195 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -14.575 -8.543 0.111 1.00 1.34 H new ATOM 855 N PRO A 55 -16.195 -11.694 -3.105 1.00 0.62 N ATOM 856 CA PRO A 55 -16.482 -12.697 -4.141 1.00 0.59 C ATOM 857 C PRO A 55 -17.979 -12.799 -4.448 1.00 0.58 C ATOM 858 O PRO A 55 -18.738 -13.386 -3.677 1.00 0.83 O ATOM 859 CB PRO A 55 -15.958 -13.993 -3.533 1.00 0.76 C ATOM 860 CG PRO A 55 -16.000 -13.796 -2.044 1.00 0.87 C ATOM 861 CD PRO A 55 -16.179 -12.318 -1.769 1.00 0.83 C ATOM 0 HA PRO A 55 -16.018 -12.449 -5.096 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -16.573 -14.842 -3.832 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -14.943 -14.201 -3.871 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -16.820 -14.366 -1.608 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.080 -14.160 -1.586 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.106 -12.124 -1.229 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.366 -11.927 -1.158 1.00 0.83 H new ATOM 869 N VAL A 56 -18.389 -12.230 -5.578 1.00 0.41 N ATOM 870 CA VAL A 56 -19.790 -12.253 -6.011 1.00 0.43 C ATOM 871 C VAL A 56 -19.990 -13.346 -7.064 1.00 0.42 C ATOM 872 O VAL A 56 -19.134 -13.559 -7.924 1.00 0.43 O ATOM 873 CB VAL A 56 -20.191 -10.883 -6.576 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.697 -10.820 -6.838 1.00 0.62 C ATOM 875 CG2 VAL A 56 -19.788 -9.774 -5.609 1.00 0.63 C ATOM 0 H VAL A 56 -17.765 -11.741 -6.220 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.426 -12.472 -5.153 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.668 -10.741 -7.522 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.956 -9.840 -7.238 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.974 -11.590 -7.558 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.236 -10.985 -5.905 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.078 -8.808 -6.022 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.289 -9.925 -4.653 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -18.708 -9.795 -5.460 1.00 0.63 H new ATOM 885 N SER A 57 -21.120 -14.043 -6.972 1.00 0.47 N ATOM 886 CA SER A 57 -21.461 -15.135 -7.879 1.00 0.48 C ATOM 887 C SER A 57 -21.746 -14.641 -9.308 1.00 0.46 C ATOM 888 O SER A 57 -22.519 -13.702 -9.521 1.00 0.59 O ATOM 889 CB SER A 57 -22.675 -15.868 -7.323 1.00 0.61 C ATOM 890 OG SER A 57 -22.510 -16.142 -5.933 1.00 0.91 O ATOM 0 H SER A 57 -21.829 -13.864 -6.261 1.00 0.47 H new ATOM 0 HA SER A 57 -20.605 -15.807 -7.945 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.570 -15.265 -7.475 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.822 -16.801 -7.867 1.00 0.61 H new ATOM 0 HG SER A 57 -23.301 -16.611 -5.596 1.00 0.91 H new ATOM 896 N LEU A 58 -21.120 -15.314 -10.270 1.00 0.44 N ATOM 897 CA LEU A 58 -21.265 -15.026 -11.700 1.00 0.49 C ATOM 898 C LEU A 58 -21.846 -16.261 -12.412 1.00 0.60 C ATOM 899 O LEU A 58 -21.574 -16.505 -13.588 1.00 0.89 O ATOM 900 CB LEU A 58 -19.886 -14.669 -12.289 1.00 0.67 C ATOM 901 CG LEU A 58 -20.009 -13.805 -13.551 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.354 -12.355 -13.200 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.715 -13.869 -14.362 1.00 0.86 C ATOM 0 H LEU A 58 -20.486 -16.089 -10.077 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.942 -14.184 -11.844 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.298 -14.137 -11.541 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.345 -15.585 -12.527 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.824 -14.202 -14.156 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.434 -11.768 -14.115 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.304 -12.326 -12.666 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.570 -11.937 -12.569 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.814 -13.252 -15.255 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.887 -13.500 -13.756 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.519 -14.901 -14.654 1.00 0.86 H new ATOM 915 N LYS A 59 -22.639 -17.040 -11.669 1.00 0.70 N ATOM 916 CA LYS A 59 -23.270 -18.272 -12.164 1.00 0.90 C ATOM 917 C LYS A 59 -24.237 -17.985 -13.322 1.00 0.87 C ATOM 918 O LYS A 59 -25.419 -17.706 -13.104 1.00 0.95 O ATOM 919 CB LYS A 59 -24.017 -18.940 -10.997 1.00 1.13 C ATOM 920 CG LYS A 59 -24.237 -20.435 -11.231 1.00 1.41 C ATOM 921 CD LYS A 59 -25.549 -20.920 -10.592 1.00 1.78 C ATOM 922 CE LYS A 59 -26.515 -21.481 -11.637 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.866 -20.465 -12.670 1.00 2.83 N ATOM 0 H LYS A 59 -22.864 -16.832 -10.696 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.497 -18.937 -12.549 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.451 -18.798 -10.077 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.981 -18.450 -10.857 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.256 -20.637 -12.302 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.400 -20.996 -10.816 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.330 -21.688 -9.850 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.024 -20.093 -10.064 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.065 -22.349 -12.119 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.424 -21.826 -11.144 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.966 -20.930 -13.595 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -27.764 -20.006 -12.415 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.114 -19.749 -12.722 1.00 2.83 H new ATOM 937 N GLU A 60 -23.717 -18.064 -14.553 1.00 0.89 N ATOM 938 CA GLU A 60 -24.498 -17.825 -15.777 1.00 0.93 C ATOM 939 C GLU A 60 -25.017 -16.383 -15.823 1.00 0.71 C ATOM 940 O GLU A 60 -26.223 -16.142 -15.872 1.00 0.82 O ATOM 941 CB GLU A 60 -25.664 -18.823 -15.884 1.00 1.20 C ATOM 942 CG GLU A 60 -25.188 -20.270 -15.714 1.00 1.43 C ATOM 943 CD GLU A 60 -26.352 -21.232 -15.901 1.00 1.80 C ATOM 944 OE1 GLU A 60 -26.865 -21.338 -17.030 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.766 -21.872 -14.916 1.00 2.33 O ATOM 0 H GLU A 60 -22.740 -18.296 -14.731 1.00 0.89 H new ATOM 0 HA GLU A 60 -23.838 -17.976 -16.631 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.410 -18.594 -15.124 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.151 -18.711 -16.853 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.405 -20.490 -16.439 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.752 -20.403 -14.724 1.00 1.43 H new ATOM 952 N ALA A 61 -24.091 -15.425 -15.807 1.00 0.51 N ATOM 953 CA ALA A 61 -24.440 -14.002 -15.844 1.00 0.35 C ATOM 954 C ALA A 61 -24.841 -13.569 -17.254 1.00 0.35 C ATOM 955 O ALA A 61 -24.120 -13.832 -18.221 1.00 0.43 O ATOM 956 CB ALA A 61 -23.253 -13.162 -15.368 1.00 0.31 C ATOM 0 H ALA A 61 -23.088 -15.608 -15.768 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.291 -13.845 -15.181 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.520 -12.106 -15.398 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -22.995 -13.442 -14.347 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.397 -13.339 -16.020 1.00 0.31 H new ATOM 962 N ILE A 62 -25.974 -12.882 -17.350 1.00 0.34 N ATOM 963 CA ILE A 62 -26.478 -12.367 -18.626 1.00 0.37 C ATOM 964 C ILE A 62 -25.821 -11.011 -18.885 1.00 0.31 C ATOM 965 O ILE A 62 -25.631 -10.228 -17.949 1.00 0.31 O ATOM 966 CB ILE A 62 -28.006 -12.229 -18.577 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.658 -13.589 -18.299 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.549 -11.633 -19.882 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.130 -13.433 -17.924 1.00 1.27 C ATOM 0 H ILE A 62 -26.570 -12.665 -16.551 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.234 -13.056 -19.434 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.257 -11.547 -17.764 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.571 -14.224 -19.181 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.126 -14.091 -17.491 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.634 -11.547 -19.819 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.115 -10.646 -20.039 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.285 -12.283 -20.716 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.563 -14.415 -17.733 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.214 -12.819 -17.027 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.665 -12.953 -18.743 1.00 1.27 H new ATOM 981 N CYS A 63 -25.444 -10.741 -20.130 1.00 0.34 N ATOM 982 CA CYS A 63 -24.771 -9.486 -20.466 1.00 0.33 C ATOM 983 C CYS A 63 -25.360 -8.844 -21.727 1.00 0.34 C ATOM 984 O CYS A 63 -25.634 -9.523 -22.720 1.00 0.52 O ATOM 985 CB CYS A 63 -23.272 -9.765 -20.634 1.00 0.37 C ATOM 986 SG CYS A 63 -22.279 -8.265 -20.640 1.00 0.53 S ATOM 0 H CYS A 63 -25.591 -11.368 -20.921 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.924 -8.771 -19.657 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.935 -10.415 -19.826 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.110 -10.306 -21.566 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.101 -8.523 -20.155 1.00 0.53 H new ATOM 992 N GLU A 64 -25.538 -7.519 -21.676 1.00 0.26 N ATOM 993 CA GLU A 64 -26.076 -6.736 -22.796 1.00 0.29 C ATOM 994 C GLU A 64 -25.063 -5.649 -23.165 1.00 0.24 C ATOM 995 O GLU A 64 -24.642 -4.875 -22.307 1.00 0.36 O ATOM 996 CB GLU A 64 -27.426 -6.107 -22.413 1.00 0.33 C ATOM 997 CG GLU A 64 -28.233 -7.016 -21.475 1.00 0.81 C ATOM 998 CD GLU A 64 -29.651 -6.488 -21.306 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.476 -6.675 -22.226 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.944 -5.884 -20.257 1.00 1.96 O ATOM 0 H GLU A 64 -25.313 -6.957 -20.855 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.243 -7.388 -23.653 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.255 -5.146 -21.929 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -28.005 -5.911 -23.316 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.262 -8.029 -21.877 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.742 -7.073 -20.503 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.655 -5.607 -24.430 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.658 -4.632 -24.906 1.00 0.32 C ATOM 1009 C VAL A 65 -24.258 -3.226 -25.084 1.00 0.31 C ATOM 1010 O VAL A 65 -25.350 -3.065 -25.631 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.058 -5.119 -26.234 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.965 -4.163 -26.727 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.488 -6.530 -26.080 1.00 0.39 C ATOM 0 H VAL A 65 -24.998 -6.238 -25.154 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.878 -4.557 -24.148 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.858 -5.140 -26.974 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.557 -4.531 -27.668 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.391 -3.171 -26.879 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.169 -4.106 -25.984 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.067 -6.858 -27.031 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.707 -6.526 -25.320 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.283 -7.213 -25.780 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.504 -2.224 -24.626 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.868 -0.805 -24.715 1.00 0.31 C ATOM 1025 C ALA A 66 -22.676 -0.048 -25.308 1.00 0.34 C ATOM 1026 O ALA A 66 -21.889 0.571 -24.587 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.220 -0.264 -23.323 1.00 0.36 C ATOM 0 H ALA A 66 -22.603 -2.378 -24.173 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.742 -0.673 -25.352 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.489 0.790 -23.399 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.062 -0.825 -22.917 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.360 -0.372 -22.662 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.527 -0.132 -26.636 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.411 0.508 -27.357 1.00 0.71 C ATOM 1035 C LEU A 67 -21.367 2.024 -27.122 1.00 0.89 C ATOM 1036 O LEU A 67 -20.288 2.615 -27.083 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.495 0.200 -28.862 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.111 -0.123 -29.440 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.821 -1.616 -29.320 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.008 0.319 -30.900 1.00 1.39 C ATOM 0 H LEU A 67 -23.171 -0.642 -27.241 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.486 0.090 -26.960 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.166 -0.643 -29.027 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.921 1.055 -29.388 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.368 0.429 -28.864 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.836 -1.830 -29.734 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.844 -1.908 -28.270 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.576 -2.179 -29.870 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.017 0.078 -31.284 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.762 -0.200 -31.491 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.171 1.395 -30.967 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.534 2.634 -26.942 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.641 4.072 -26.680 1.00 1.14 C ATOM 1054 C ASP A 68 -23.723 4.296 -25.626 1.00 0.87 C ATOM 1055 O ASP A 68 -24.888 4.541 -25.954 1.00 1.00 O ATOM 1056 CB ASP A 68 -22.967 4.842 -27.974 1.00 1.59 C ATOM 1057 CG ASP A 68 -22.710 6.340 -27.787 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.250 6.931 -26.829 1.00 2.62 O ATOM 1059 OD2 ASP A 68 -21.974 6.932 -28.602 1.00 3.07 O ATOM 0 H ASP A 68 -23.432 2.151 -26.973 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.687 4.449 -26.310 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -22.357 4.462 -28.794 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.009 4.677 -28.249 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.331 4.204 -24.356 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.255 4.388 -23.233 1.00 0.69 C ATOM 1066 C TYR A 69 -24.383 5.885 -22.886 1.00 0.97 C ATOM 1067 O TYR A 69 -24.434 6.276 -21.717 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.772 3.541 -22.037 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.570 3.753 -20.765 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.936 3.513 -20.748 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.936 4.200 -19.619 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.661 3.727 -19.588 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.664 4.410 -18.461 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.020 4.174 -18.450 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.735 4.386 -17.294 1.00 0.97 O ATOM 0 H TYR A 69 -22.371 4.001 -24.076 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.253 4.044 -23.504 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -23.818 2.487 -22.310 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.726 3.774 -21.840 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.434 3.159 -21.639 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.872 4.385 -19.628 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.725 3.545 -19.573 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.169 4.759 -17.567 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.498 3.772 -17.264 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.459 6.710 -23.940 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.617 8.171 -23.844 1.00 1.81 C ATOM 1087 C LYS A 70 -23.385 8.871 -23.257 1.00 1.82 C ATOM 1088 O LYS A 70 -22.729 9.657 -23.940 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.873 8.526 -23.033 1.00 2.43 C ATOM 1090 CG LYS A 70 -27.078 7.709 -23.504 1.00 2.98 C ATOM 1091 CD LYS A 70 -28.382 8.496 -23.367 1.00 3.79 C ATOM 1092 CE LYS A 70 -29.619 7.600 -23.536 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.291 6.287 -24.165 1.00 4.84 N ATOM 0 H LYS A 70 -24.412 6.375 -24.902 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.729 8.539 -24.864 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -25.692 8.337 -21.975 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -26.088 9.590 -23.135 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.936 7.418 -24.545 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -27.145 6.790 -22.922 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -28.414 8.976 -22.389 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -28.406 9.290 -24.113 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -30.075 7.428 -22.561 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -30.358 8.118 -24.147 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.170 5.806 -24.443 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -28.701 6.443 -25.007 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.773 5.696 -23.484 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.097 8.605 -21.986 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.965 9.237 -21.289 1.00 2.22 C ATOM 1109 C LYS A 71 -20.622 8.692 -21.750 1.00 2.19 C ATOM 1110 O LYS A 71 -19.695 9.455 -22.012 1.00 2.78 O ATOM 1111 CB LYS A 71 -22.105 9.058 -19.774 1.00 2.97 C ATOM 1112 CG LYS A 71 -23.386 9.707 -19.246 1.00 3.56 C ATOM 1113 CD LYS A 71 -23.442 11.194 -19.609 1.00 4.44 C ATOM 1114 CE LYS A 71 -24.208 12.000 -18.556 1.00 5.27 C ATOM 1115 NZ LYS A 71 -24.014 13.466 -18.748 1.00 5.62 N ATOM 0 H LYS A 71 -23.631 7.954 -21.410 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.991 10.298 -21.538 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -22.108 7.995 -19.531 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -21.241 9.497 -19.274 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -24.254 9.195 -19.661 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -23.436 9.592 -18.163 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -22.429 11.585 -19.702 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -23.921 11.315 -20.581 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -25.270 11.761 -18.614 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -23.871 11.714 -17.560 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -24.545 13.985 -18.020 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -23.003 13.696 -18.669 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -24.359 13.741 -19.690 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.521 7.379 -21.834 1.00 2.22 N ATOM 1130 CA LYS A 72 -19.281 6.719 -22.251 1.00 2.54 C ATOM 1131 C LYS A 72 -19.566 5.613 -23.265 1.00 1.92 C ATOM 1132 O LYS A 72 -20.683 5.084 -23.335 1.00 2.45 O ATOM 1133 CB LYS A 72 -18.559 6.137 -21.031 1.00 3.71 C ATOM 1134 CG LYS A 72 -18.085 7.240 -20.078 1.00 4.59 C ATOM 1135 CD LYS A 72 -17.067 6.703 -19.077 1.00 5.67 C ATOM 1136 CE LYS A 72 -16.324 7.835 -18.364 1.00 6.56 C ATOM 1137 NZ LYS A 72 -15.066 8.207 -19.078 1.00 7.03 N ATOM 0 H LYS A 72 -21.284 6.737 -21.619 1.00 2.22 H new ATOM 0 HA LYS A 72 -18.641 7.463 -22.726 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.228 5.459 -20.500 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -17.704 5.547 -21.361 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -17.641 8.054 -20.651 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -18.940 7.655 -19.544 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -17.574 6.080 -18.340 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -16.350 6.065 -19.594 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -16.973 8.708 -18.292 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -16.087 7.529 -17.345 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -14.590 8.977 -18.565 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -14.436 7.381 -19.124 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -15.294 8.523 -20.042 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.541 5.260 -24.043 1.00 1.52 N ATOM 1152 CA LYS A 73 -18.630 4.226 -25.050 1.00 1.35 C ATOM 1153 C LYS A 73 -17.962 2.952 -24.544 1.00 1.05 C ATOM 1154 O LYS A 73 -17.132 2.977 -23.627 1.00 1.79 O ATOM 1155 CB LYS A 73 -17.962 4.693 -26.355 1.00 1.94 C ATOM 1156 CG LYS A 73 -16.531 5.196 -26.127 1.00 2.32 C ATOM 1157 CD LYS A 73 -15.755 5.305 -27.439 1.00 2.93 C ATOM 1158 CE LYS A 73 -16.132 6.571 -28.220 1.00 3.52 C ATOM 1159 NZ LYS A 73 -16.775 6.247 -29.527 1.00 3.96 N ATOM 0 H LYS A 73 -17.620 5.695 -23.983 1.00 1.52 H new ATOM 0 HA LYS A 73 -19.681 4.020 -25.253 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -17.946 3.869 -27.068 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -18.558 5.489 -26.801 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -16.561 6.171 -25.640 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -16.010 4.518 -25.451 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -14.685 5.312 -27.229 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -15.954 4.426 -28.053 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -16.811 7.178 -27.622 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -15.238 7.170 -28.394 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -17.015 7.129 -30.024 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -16.117 5.689 -30.109 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -17.642 5.697 -29.361 1.00 3.96 H new ATOM 1173 N HIS A 74 -18.340 1.859 -25.171 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.831 0.510 -24.864 1.00 0.38 C ATOM 1175 C HIS A 74 -18.172 0.108 -23.425 1.00 0.30 C ATOM 1176 O HIS A 74 -17.290 -0.139 -22.595 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.318 0.417 -25.133 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.988 0.534 -26.597 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.036 1.386 -27.104 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.516 -0.082 -27.686 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.983 1.306 -28.413 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.878 0.413 -28.805 1.00 1.53 N ATOM 0 H HIS A 74 -19.024 1.868 -25.927 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.327 -0.198 -25.528 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.805 1.206 -24.583 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -15.942 -0.533 -24.753 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.297 -0.828 -27.678 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.325 1.870 -29.057 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.064 0.138 -29.769 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.473 0.040 -23.157 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.012 -0.337 -21.852 1.00 0.23 C ATOM 1192 C VAL A 75 -20.855 -1.604 -22.020 1.00 0.22 C ATOM 1193 O VAL A 75 -21.397 -1.848 -23.097 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.884 0.819 -21.312 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.650 0.416 -20.047 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.029 2.052 -21.034 1.00 0.31 C ATOM 0 H VAL A 75 -20.193 0.248 -23.849 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.205 -0.530 -21.145 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.616 1.057 -22.083 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.250 1.258 -19.701 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.303 -0.428 -20.270 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.942 0.131 -19.268 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.661 2.855 -20.655 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.268 1.808 -20.293 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.546 2.375 -21.956 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.989 -2.400 -20.966 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.803 -3.614 -21.025 1.00 0.23 C ATOM 1208 C PHE A 76 -22.582 -3.786 -19.725 1.00 0.22 C ATOM 1209 O PHE A 76 -22.031 -3.687 -18.625 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.966 -4.866 -21.356 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.838 -5.181 -20.389 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.573 -4.658 -20.608 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.056 -6.026 -19.305 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.533 -4.968 -19.745 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.016 -6.333 -18.439 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.750 -5.807 -18.664 1.00 0.29 C ATOM 0 H PHE A 76 -20.548 -2.230 -20.062 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.514 -3.500 -21.844 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.634 -5.726 -21.398 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.542 -4.743 -22.352 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.397 -4.008 -21.452 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.038 -6.444 -19.137 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.550 -4.554 -19.916 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.190 -6.980 -17.592 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.936 -6.052 -17.997 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.878 -4.046 -19.876 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.794 -4.250 -18.756 1.00 0.28 C ATOM 1228 C LYS A 77 -24.678 -5.694 -18.286 1.00 0.31 C ATOM 1229 O LYS A 77 -25.153 -6.613 -18.954 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.228 -3.948 -19.201 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.229 -4.047 -18.039 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.156 -2.824 -17.978 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.633 -3.229 -17.958 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.188 -3.404 -19.332 1.00 1.95 N ATOM 0 H LYS A 77 -24.327 -4.122 -20.789 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.538 -3.580 -17.935 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.270 -2.947 -19.630 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.517 -4.645 -19.988 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.827 -4.951 -18.151 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.686 -4.139 -17.098 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.928 -2.239 -17.087 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.967 -2.182 -18.838 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.745 -4.159 -17.401 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -30.209 -2.470 -17.429 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -31.152 -3.016 -19.369 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.586 -2.903 -20.016 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.213 -4.416 -19.570 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.031 -5.874 -17.148 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.810 -7.191 -16.559 1.00 0.24 C ATOM 1250 C LEU A 78 -24.883 -7.486 -15.509 1.00 0.29 C ATOM 1251 O LEU A 78 -24.907 -6.874 -14.438 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.409 -7.238 -15.935 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.047 -8.624 -15.418 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.452 -9.705 -16.415 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.556 -8.724 -15.093 1.00 0.86 C ATOM 0 H LEU A 78 -23.640 -5.108 -16.600 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.878 -7.954 -17.334 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.674 -6.927 -16.677 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.356 -6.522 -15.114 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.605 -8.785 -14.495 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.182 -10.684 -16.020 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.529 -9.664 -16.578 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -21.935 -9.540 -17.360 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.330 -9.725 -14.726 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -19.973 -8.527 -15.993 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.300 -7.991 -14.328 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.759 -8.435 -15.835 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.850 -8.858 -14.959 1.00 0.40 C ATOM 1269 C ARG A 79 -26.448 -10.150 -14.250 1.00 0.45 C ATOM 1270 O ARG A 79 -26.322 -11.204 -14.880 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.124 -9.064 -15.788 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.581 -7.751 -16.418 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.746 -7.961 -17.396 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.939 -7.249 -16.933 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.063 -7.226 -17.643 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.067 -6.739 -18.875 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -33.177 -7.708 -17.115 1.00 2.93 N ATOM 0 H ARG A 79 -25.731 -8.936 -16.723 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.049 -8.092 -14.210 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -27.940 -9.802 -16.569 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.915 -9.463 -15.153 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -28.886 -7.058 -15.633 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -27.745 -7.290 -16.943 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.465 -7.605 -18.387 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.963 -9.025 -17.489 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.907 -6.757 -16.040 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.205 -6.379 -19.284 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -32.932 -6.724 -19.415 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -33.169 -8.093 -16.171 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -34.044 -7.694 -17.653 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.226 -10.053 -12.943 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.810 -11.200 -12.126 1.00 0.68 C ATOM 1293 C LEU A 80 -27.009 -12.048 -11.711 1.00 0.84 C ATOM 1294 O LEU A 80 -28.075 -11.517 -11.396 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.085 -10.700 -10.870 1.00 0.82 C ATOM 1296 CG LEU A 80 -23.888 -9.811 -11.220 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.154 -9.394 -9.951 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -22.927 -10.520 -12.175 1.00 1.26 C ATOM 0 H LEU A 80 -26.327 -9.185 -12.418 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.141 -11.818 -12.725 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.782 -10.141 -10.246 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.745 -11.553 -10.283 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.267 -8.922 -11.724 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.305 -8.762 -10.213 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.833 -8.839 -9.303 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -22.798 -10.282 -9.428 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.089 -9.862 -12.403 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.555 -11.432 -11.707 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.451 -10.773 -13.097 1.00 1.26 H new ATOM 1310 N SER A 81 -26.817 -13.368 -11.673 1.00 1.01 N ATOM 1311 CA SER A 81 -27.870 -14.299 -11.255 1.00 1.23 C ATOM 1312 C SER A 81 -27.808 -14.469 -9.730 1.00 1.40 C ATOM 1313 O SER A 81 -27.811 -15.583 -9.207 1.00 1.92 O ATOM 1314 CB SER A 81 -27.693 -15.652 -11.970 1.00 1.52 C ATOM 1315 OG SER A 81 -28.909 -16.393 -11.965 1.00 2.18 O ATOM 0 H SER A 81 -25.938 -13.819 -11.928 1.00 1.01 H new ATOM 0 HA SER A 81 -28.848 -13.903 -11.528 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.368 -15.485 -12.997 1.00 1.52 H new ATOM 0 HB3 SER A 81 -26.910 -16.228 -11.478 1.00 1.52 H new ATOM 0 HG SER A 81 -28.773 -17.247 -12.426 1.00 2.18 H new ATOM 1321 N ASP A 82 -27.737 -13.336 -9.033 1.00 1.33 N ATOM 1322 CA ASP A 82 -27.657 -13.298 -7.567 1.00 1.76 C ATOM 1323 C ASP A 82 -28.652 -12.264 -7.034 1.00 1.31 C ATOM 1324 O ASP A 82 -29.552 -12.584 -6.254 1.00 1.74 O ATOM 1325 CB ASP A 82 -26.215 -12.945 -7.145 1.00 2.76 C ATOM 1326 CG ASP A 82 -26.033 -13.034 -5.632 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -26.462 -12.104 -4.920 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -25.473 -14.036 -5.150 1.00 3.77 O ATOM 0 H ASP A 82 -27.733 -12.413 -9.467 1.00 1.33 H new ATOM 0 HA ASP A 82 -27.912 -14.272 -7.149 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -25.516 -13.622 -7.636 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -25.973 -11.937 -7.482 1.00 2.76 H new ATOM 1333 N GLY A 83 -28.478 -11.021 -7.471 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.331 -9.906 -7.068 1.00 1.53 C ATOM 1335 C GLY A 83 -28.544 -8.610 -7.191 1.00 1.31 C ATOM 1336 O GLY A 83 -28.259 -7.944 -6.174 1.00 1.88 O ATOM 0 H GLY A 83 -27.736 -10.756 -8.119 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.221 -9.867 -7.696 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -29.671 -10.044 -6.042 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.177 -8.265 -8.444 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.405 -7.060 -8.727 1.00 0.71 C ATOM 1342 C ASN A 84 -27.310 -6.863 -10.237 1.00 0.62 C ATOM 1343 O ASN A 84 -27.217 -7.837 -10.992 1.00 0.65 O ATOM 1344 CB ASN A 84 -25.978 -7.177 -8.141 1.00 0.84 C ATOM 1345 CG ASN A 84 -25.781 -6.252 -6.938 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -25.881 -4.950 -7.154 1.00 1.73 O flip ATOM 1347 ND2 ASN A 84 -25.524 -6.710 -5.828 1.00 1.32 N flip ATOM 0 H ASN A 84 -28.410 -8.814 -9.272 1.00 0.93 H new ATOM 0 HA ASN A 84 -27.907 -6.209 -8.268 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.791 -8.208 -7.841 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.247 -6.932 -8.912 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.454 -7.719 -5.696 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.380 -6.081 -5.038 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.306 -5.599 -10.658 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.185 -5.223 -12.066 1.00 0.55 C ATOM 1356 C GLU A 85 -26.188 -4.070 -12.158 1.00 0.47 C ATOM 1357 O GLU A 85 -26.429 -2.988 -11.609 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.547 -4.813 -12.633 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.495 -6.011 -12.728 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.778 -5.617 -13.447 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.462 -4.681 -12.987 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -31.113 -6.250 -14.468 1.00 1.43 O ATOM 0 H GLU A 85 -27.387 -4.801 -10.027 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.832 -6.070 -12.655 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.991 -4.045 -11.999 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.414 -4.373 -13.621 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.008 -6.827 -13.261 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.729 -6.378 -11.729 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.058 -4.318 -12.818 1.00 0.33 N ATOM 1370 CA TYR A 86 -23.992 -3.315 -12.955 1.00 0.31 C ATOM 1371 C TYR A 86 -23.692 -3.001 -14.420 1.00 0.29 C ATOM 1372 O TYR A 86 -23.822 -3.864 -15.294 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.687 -3.832 -12.321 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.767 -4.175 -10.850 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.029 -3.190 -9.912 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.539 -5.478 -10.434 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.056 -3.508 -8.567 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.575 -5.794 -9.087 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.832 -4.806 -8.159 1.00 0.63 C ATOM 1380 OH TYR A 86 -22.849 -5.112 -6.817 1.00 0.77 O ATOM 0 H TYR A 86 -24.852 -5.209 -13.270 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.345 -2.415 -12.452 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.366 -4.720 -12.866 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -21.913 -3.077 -12.458 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.212 -2.175 -10.231 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.333 -6.248 -11.163 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.253 -2.739 -7.835 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.403 -6.810 -8.764 1.00 0.62 H new ATOM 0 HH TYR A 86 -22.675 -6.069 -6.697 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.205 -1.781 -14.660 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.776 -1.339 -15.994 1.00 0.23 C ATOM 1392 C LEU A 87 -21.254 -1.283 -15.966 1.00 0.22 C ATOM 1393 O LEU A 87 -20.680 -0.526 -15.176 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.315 0.057 -16.367 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.816 0.219 -16.134 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.305 1.524 -16.765 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.598 -0.966 -16.697 1.00 0.38 C ATOM 0 H LEU A 87 -23.096 -1.070 -13.937 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.164 -2.035 -16.737 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.783 0.809 -15.785 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.096 0.252 -17.417 1.00 0.26 H new ATOM 0 HG LEU A 87 -24.990 0.252 -15.058 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.376 1.632 -16.594 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.779 2.366 -16.314 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.108 1.506 -17.837 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.663 -0.819 -16.514 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.421 -1.042 -17.770 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.269 -1.884 -16.209 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.605 -2.095 -16.792 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.143 -2.152 -16.832 1.00 0.19 C ATOM 1411 C PHE A 88 -18.606 -1.457 -18.079 1.00 0.20 C ATOM 1412 O PHE A 88 -18.959 -1.816 -19.199 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.686 -3.607 -16.785 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.718 -4.182 -15.383 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.811 -3.755 -14.428 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.659 -5.143 -15.056 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.848 -4.288 -13.150 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.699 -5.674 -13.781 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.763 -5.220 -12.814 1.00 0.22 C ATOM 0 H PHE A 88 -21.067 -2.726 -17.446 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.746 -1.627 -15.963 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.325 -4.206 -17.434 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.673 -3.679 -17.180 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.075 -3.006 -14.680 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.365 -5.479 -15.801 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.134 -3.953 -12.412 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.432 -6.424 -13.523 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.784 -5.621 -11.811 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.755 -0.454 -17.866 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.150 0.328 -18.950 1.00 0.26 C ATOM 1431 C GLN A 89 -15.677 -0.062 -19.136 1.00 0.22 C ATOM 1432 O GLN A 89 -14.890 0.003 -18.184 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.257 1.822 -18.614 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.966 2.715 -19.827 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.649 3.471 -19.648 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.384 4.051 -18.592 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.824 3.459 -20.675 1.00 1.63 N ATOM 0 H GLN A 89 -17.463 -0.158 -16.935 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.681 0.121 -19.879 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.258 2.037 -18.239 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.558 2.063 -17.813 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.920 2.105 -20.729 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.781 3.425 -19.964 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.082 2.967 -21.531 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.927 3.942 -20.615 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.309 -0.442 -20.366 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.923 -0.823 -20.699 1.00 0.24 C ATOM 1448 C ALA A 90 -13.253 0.289 -21.516 1.00 0.27 C ATOM 1449 O ALA A 90 -13.930 1.143 -22.091 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.898 -2.139 -21.492 1.00 0.29 C ATOM 0 H ALA A 90 -15.954 -0.495 -21.155 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.373 -0.966 -19.769 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.867 -2.402 -21.728 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.348 -2.932 -20.895 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.462 -2.017 -22.417 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.923 0.279 -21.559 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.157 1.299 -22.295 1.00 0.44 C ATOM 1458 C LYS A 91 -11.024 0.957 -23.788 1.00 0.49 C ATOM 1459 O LYS A 91 -11.005 1.857 -24.626 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.760 1.499 -21.669 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.244 0.263 -20.916 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.550 0.359 -19.413 1.00 1.43 C ATOM 1463 CE LYS A 91 -9.088 -0.883 -18.629 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.830 -1.475 -19.179 1.00 2.29 N ATOM 0 H LYS A 91 -11.347 -0.422 -21.094 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.716 2.231 -22.217 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.051 1.757 -22.456 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.796 2.345 -20.982 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.705 -0.635 -21.327 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.169 0.166 -21.065 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.062 1.244 -19.003 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.623 0.493 -19.273 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.931 -0.612 -17.585 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -9.877 -1.634 -18.648 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.452 -2.173 -18.507 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.034 -1.942 -20.086 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.128 -0.722 -19.327 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.919 -0.335 -24.112 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.771 -0.785 -25.514 1.00 0.66 C ATOM 1480 C ASP A 92 -11.935 -1.693 -25.927 1.00 0.59 C ATOM 1481 O ASP A 92 -12.532 -2.382 -25.094 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.433 -1.526 -25.690 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.057 -1.642 -27.167 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.472 -2.622 -27.820 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.343 -0.754 -27.676 1.00 1.77 O ATOM 0 H ASP A 92 -10.933 -1.093 -23.429 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.782 0.094 -26.158 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.647 -0.996 -25.152 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.505 -2.521 -25.251 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.234 -1.697 -27.229 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.313 -2.517 -27.805 1.00 0.63 C ATOM 1492 C ASP A 93 -12.983 -4.010 -27.712 1.00 0.49 C ATOM 1493 O ASP A 93 -13.873 -4.838 -27.478 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.579 -2.122 -29.272 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.298 -2.098 -30.108 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.482 -1.171 -29.940 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -12.099 -3.020 -30.925 1.00 2.13 O ATOM 0 H ASP A 93 -11.736 -1.132 -27.917 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.216 -2.329 -27.224 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.285 -2.826 -29.713 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -14.048 -1.139 -29.302 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.700 -4.350 -27.870 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.250 -5.743 -27.781 1.00 0.41 C ATOM 1504 C GLU A 94 -11.332 -6.218 -26.330 1.00 0.36 C ATOM 1505 O GLU A 94 -11.759 -7.341 -26.057 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.817 -5.879 -28.299 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.754 -5.712 -29.821 1.00 1.21 C ATOM 1508 CD GLU A 94 -10.263 -6.968 -30.520 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.778 -8.073 -30.206 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -11.151 -6.853 -31.387 1.00 2.59 O ATOM 0 H GLU A 94 -10.955 -3.680 -28.060 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.899 -6.363 -28.400 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.184 -5.130 -27.823 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.420 -6.855 -28.022 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.353 -4.853 -30.123 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.728 -5.509 -30.128 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.951 -5.332 -25.405 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.002 -5.618 -23.965 1.00 0.29 C ATOM 1519 C GLU A 95 -12.452 -5.838 -23.533 1.00 0.24 C ATOM 1520 O GLU A 95 -12.762 -6.794 -22.824 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.397 -4.454 -23.174 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.800 -4.922 -21.850 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.357 -3.723 -21.030 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.222 -2.912 -20.641 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.145 -3.584 -20.781 1.00 1.30 O ATOM 0 H GLU A 95 -10.600 -4.401 -25.630 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.425 -6.520 -23.763 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.624 -3.971 -23.771 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.166 -3.706 -22.982 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.537 -5.502 -21.294 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -8.951 -5.580 -22.036 1.00 0.42 H new ATOM 1532 N MET A 96 -13.336 -4.944 -23.996 1.00 0.24 N ATOM 1533 CA MET A 96 -14.775 -5.009 -23.702 1.00 0.22 C ATOM 1534 C MET A 96 -15.343 -6.368 -24.126 1.00 0.22 C ATOM 1535 O MET A 96 -16.065 -7.013 -23.368 1.00 0.23 O ATOM 1536 CB MET A 96 -15.498 -3.874 -24.447 1.00 0.26 C ATOM 1537 CG MET A 96 -16.963 -3.732 -24.017 1.00 0.39 C ATOM 1538 SD MET A 96 -18.016 -3.105 -25.342 1.00 0.94 S ATOM 1539 CE MET A 96 -18.064 -4.515 -26.465 1.00 0.77 C ATOM 0 H MET A 96 -13.074 -4.154 -24.586 1.00 0.24 H new ATOM 0 HA MET A 96 -14.929 -4.892 -22.629 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.976 -2.934 -24.266 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.454 -4.061 -25.520 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.337 -4.702 -23.688 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.023 -3.060 -23.161 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.362 -4.352 -27.283 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.788 -5.420 -25.924 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.071 -4.626 -26.867 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.985 -6.802 -25.337 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.435 -8.094 -25.873 1.00 0.28 C ATOM 1551 C ASN A 97 -14.833 -9.250 -25.058 1.00 0.26 C ATOM 1552 O ASN A 97 -15.545 -10.173 -24.670 1.00 0.29 O ATOM 1553 CB ASN A 97 -15.050 -8.218 -27.359 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.628 -9.499 -27.970 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.894 -10.440 -28.277 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.941 -9.538 -28.146 1.00 1.24 N ATOM 0 H ASN A 97 -14.382 -6.276 -25.970 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.521 -8.148 -25.793 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.418 -7.351 -27.907 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.965 -8.221 -27.458 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -17.377 -10.368 -28.548 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -17.515 -8.738 -27.879 1.00 1.24 H new ATOM 1563 N THR A 98 -13.521 -9.182 -24.790 1.00 0.25 N ATOM 1564 CA THR A 98 -12.815 -10.214 -24.007 1.00 0.27 C ATOM 1565 C THR A 98 -13.486 -10.417 -22.638 1.00 0.23 C ATOM 1566 O THR A 98 -13.684 -11.551 -22.197 1.00 0.27 O ATOM 1567 CB THR A 98 -11.338 -9.814 -23.831 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.750 -9.559 -25.103 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.546 -10.902 -23.098 1.00 0.39 C ATOM 0 H THR A 98 -12.922 -8.419 -25.105 1.00 0.25 H new ATOM 0 HA THR A 98 -12.865 -11.159 -24.548 1.00 0.27 H new ATOM 0 HB THR A 98 -11.304 -8.908 -23.225 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.831 -8.606 -25.316 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.508 -10.587 -22.991 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.979 -11.065 -22.111 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.587 -11.829 -23.670 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.849 -9.307 -21.984 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.516 -9.343 -20.676 1.00 0.20 C ATOM 1579 C TRP A 99 -15.875 -10.046 -20.785 1.00 0.21 C ATOM 1580 O TRP A 99 -16.170 -10.965 -20.021 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.714 -7.911 -20.142 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.549 -7.399 -19.343 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.724 -6.353 -19.663 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.076 -7.910 -18.078 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.800 -6.202 -18.669 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -11.981 -7.130 -17.694 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.478 -8.947 -17.234 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.289 -7.358 -16.520 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.786 -9.184 -16.054 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.702 -8.391 -15.698 1.00 0.29 C ATOM 0 H TRP A 99 -13.690 -8.365 -22.343 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.885 -9.901 -19.984 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -14.890 -7.240 -20.983 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.609 -7.885 -19.521 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -12.793 -5.748 -20.555 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.072 -5.488 -18.660 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.325 -9.563 -17.498 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.444 -6.743 -16.250 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.093 -9.992 -15.407 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.178 -8.582 -14.773 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.692 -9.607 -21.748 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.030 -10.175 -21.980 1.00 0.24 C ATOM 1603 C ILE A 100 -17.954 -11.678 -22.289 1.00 0.28 C ATOM 1604 O ILE A 100 -18.750 -12.461 -21.769 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.722 -9.412 -23.123 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.041 -7.981 -22.675 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.005 -10.118 -23.573 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.549 -7.124 -23.836 1.00 0.29 C ATOM 0 H ILE A 100 -16.449 -8.851 -22.388 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.619 -10.063 -21.070 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.039 -9.385 -23.972 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.792 -8.006 -21.885 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.147 -7.525 -22.250 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.468 -9.552 -24.381 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.764 -11.121 -23.924 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.697 -10.184 -22.734 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.764 -6.117 -23.478 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.787 -7.078 -24.614 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.458 -7.566 -24.244 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.987 -12.081 -23.121 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.810 -13.499 -23.476 1.00 0.35 C ATOM 1622 C GLN A 101 -16.392 -14.318 -22.245 1.00 0.36 C ATOM 1623 O GLN A 101 -16.921 -15.405 -22.007 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.769 -13.651 -24.594 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.283 -13.065 -25.923 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.821 -13.887 -27.126 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.552 -14.036 -28.104 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.608 -14.413 -27.063 1.00 1.76 N ATOM 0 H GLN A 101 -16.316 -11.451 -23.561 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.765 -13.880 -23.837 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.846 -13.148 -24.305 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.528 -14.706 -24.728 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.372 -13.028 -25.906 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.930 -12.039 -26.028 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.031 -14.267 -26.234 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.250 -14.964 -27.843 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.465 -13.777 -21.444 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.002 -14.452 -20.220 1.00 0.37 C ATOM 1639 C ALA A 102 -16.159 -14.581 -19.222 1.00 0.38 C ATOM 1640 O ALA A 102 -16.338 -15.621 -18.583 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.853 -13.663 -19.589 1.00 0.38 C ATOM 0 H ALA A 102 -15.020 -12.876 -21.619 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.646 -15.449 -20.480 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.517 -14.170 -18.684 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.026 -13.596 -20.296 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.196 -12.660 -19.337 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.951 -13.511 -19.122 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.120 -13.457 -18.240 1.00 0.38 C ATOM 1649 C ILE A 103 -19.207 -14.430 -18.729 1.00 0.47 C ATOM 1650 O ILE A 103 -19.936 -15.007 -17.921 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.648 -12.010 -18.188 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.726 -11.144 -17.317 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.088 -11.939 -17.665 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -17.882 -9.661 -17.637 1.00 0.35 C ATOM 0 H ILE A 103 -16.799 -12.653 -19.653 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.835 -13.763 -17.234 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.653 -11.626 -19.208 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.952 -11.316 -16.265 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.690 -11.444 -17.473 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.417 -10.900 -17.646 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.742 -12.515 -18.320 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.130 -12.351 -16.657 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.214 -9.079 -17.001 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.631 -9.486 -18.683 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -18.913 -9.356 -17.456 1.00 0.35 H new ATOM 1666 N SER A 104 -19.296 -14.620 -20.055 1.00 0.53 N ATOM 1667 CA SER A 104 -20.278 -15.538 -20.646 1.00 0.66 C ATOM 1668 C SER A 104 -19.954 -16.989 -20.262 1.00 0.72 C ATOM 1669 O SER A 104 -20.860 -17.782 -19.994 1.00 0.89 O ATOM 1670 CB SER A 104 -20.298 -15.386 -22.173 1.00 0.81 C ATOM 1671 OG SER A 104 -20.706 -14.075 -22.542 1.00 1.05 O ATOM 0 H SER A 104 -18.700 -14.150 -20.736 1.00 0.53 H new ATOM 0 HA SER A 104 -21.264 -15.287 -20.256 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.307 -15.591 -22.577 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.977 -16.119 -22.608 1.00 0.81 H new ATOM 0 HG SER A 104 -19.984 -13.441 -22.350 1.00 1.05 H new ATOM 1677 N SER A 105 -18.656 -17.323 -20.223 1.00 0.80 N ATOM 1678 CA SER A 105 -18.205 -18.672 -19.852 1.00 1.13 C ATOM 1679 C SER A 105 -18.434 -18.923 -18.356 1.00 1.23 C ATOM 1680 O SER A 105 -19.011 -19.940 -17.971 1.00 1.61 O ATOM 1681 CB SER A 105 -16.715 -18.848 -20.183 1.00 1.48 C ATOM 1682 OG SER A 105 -16.381 -18.202 -21.405 1.00 1.63 O ATOM 0 H SER A 105 -17.899 -16.676 -20.444 1.00 0.80 H new ATOM 0 HA SER A 105 -18.786 -19.395 -20.425 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.109 -18.439 -19.375 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.478 -19.910 -20.253 1.00 1.48 H new ATOM 0 HG SER A 105 -15.427 -18.328 -21.591 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.978 -17.975 -17.525 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.115 -18.049 -16.061 1.00 1.59 C ATOM 1690 C ALA A 106 -17.433 -19.300 -15.493 1.00 2.40 C ATOM 1691 O ALA A 106 -16.372 -19.700 -16.020 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.597 -18.019 -15.669 1.00 1.90 C ATOM 1693 OXT ALA A 106 -17.952 -19.880 -14.517 1.00 3.05 O ATOM 0 H ALA A 106 -17.502 -17.133 -17.849 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.615 -17.180 -15.632 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.688 -18.074 -14.584 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -20.049 -17.093 -16.024 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -20.110 -18.869 -16.120 1.00 1.90 H new TER 1699 ALA A 106