USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 505 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 18 THR OG1 : rot -159:sc= -1.45 USER MOD Set 1.2: A 21 MET CE :methyl -122:sc= -3.68! (180deg=-2.93!) USER MOD Single : A 2 GLN : amide:sc= -3.77! K(o=-3.8!,f=-2) USER MOD Single : A 4 SER OG : rot 132:sc= -0.324 USER MOD Single : A 9 GLN : amide:sc= -4.58! C(o=-4.6!,f=-4.6!) USER MOD Single : A 14 ASN : amide:sc= -0.667 K(o=-0.67,f=-1.2) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.75 USER MOD Single : A 22 MET CE :methyl -156:sc= -2.81 (180deg=-3.29) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.287 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00345 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 42 SER OG : rot 180:sc= -0.318 USER MOD Single : A 43 MET CE :methyl -141:sc= -4.71! (180deg=-11.5!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.06! C(o=-4.1!,f=-4.2!) USER MOD Single : A 47 GLN : amide:sc= -2.3! K(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 170:sc= -3.26! (180deg=-3.28!) USER MOD Single : A 53 THR OG1 : rot 99:sc= 0.0578 USER MOD Single : A 54 THR OG1 : rot 160:sc= -4.79! USER MOD Single : A 56 MET CE :methyl -154:sc= -0.446 (180deg=-1.56!) USER MOD Single : A 59 MET CE :methyl -119:sc= -6.45! (180deg=-7.18!) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.053) USER MOD Single : A 63 TYR OH : rot -34:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.555 -1.018 -5.246 1.00 2.13 N ATOM 33 CA GLN A 2 -2.089 -0.146 -6.278 1.00 71.44 C ATOM 34 C GLN A 2 -3.584 -0.409 -6.473 1.00 43.24 C ATOM 35 O GLN A 2 -3.968 -1.384 -7.118 1.00 45.51 O ATOM 36 CB GLN A 2 -1.326 -0.322 -7.593 1.00 4.34 C ATOM 37 CG GLN A 2 -1.941 0.534 -8.702 1.00 64.43 C ATOM 38 CD GLN A 2 -2.447 1.867 -8.149 1.00 52.35 C ATOM 39 OE1 GLN A 2 -1.701 2.671 -7.614 1.00 61.43 O ATOM 40 NE2 GLN A 2 -3.754 2.057 -8.308 1.00 41.52 N ATOM 0 HA GLN A 2 -1.960 0.887 -5.956 1.00 71.44 H new ATOM 0 HB2 GLN A 2 -0.281 -0.045 -7.451 1.00 4.34 H new ATOM 0 HB3 GLN A 2 -1.340 -1.371 -7.888 1.00 4.34 H new ATOM 0 HG2 GLN A 2 -1.199 0.717 -9.479 1.00 64.43 H new ATOM 0 HG3 GLN A 2 -2.765 -0.006 -9.169 1.00 64.43 H new ATOM 0 HE21 GLN A 2 -4.321 1.343 -8.765 1.00 41.52 H new ATOM 0 HE22 GLN A 2 -4.189 2.917 -7.973 1.00 41.52 H new ATOM 49 N GLU A 3 -4.387 0.478 -5.905 1.00 2.24 N ATOM 50 CA GLU A 3 -5.831 0.355 -6.008 1.00 20.32 C ATOM 51 C GLU A 3 -6.293 0.701 -7.424 1.00 54.24 C ATOM 52 O GLU A 3 -6.198 1.852 -7.848 1.00 73.02 O ATOM 53 CB GLU A 3 -6.532 1.235 -4.971 1.00 40.35 C ATOM 54 CG GLU A 3 -6.831 0.447 -3.695 1.00 14.13 C ATOM 55 CD GLU A 3 -6.941 1.380 -2.487 1.00 44.32 C ATOM 56 OE1 GLU A 3 -6.212 1.204 -1.500 1.00 5.23 O ATOM 57 OE2 GLU A 3 -7.820 2.317 -2.600 1.00 34.03 O ATOM 0 H GLU A 3 -4.065 1.285 -5.372 1.00 2.24 H new ATOM 0 HA GLU A 3 -6.104 -0.680 -5.801 1.00 20.32 H new ATOM 0 HB2 GLU A 3 -5.904 2.094 -4.734 1.00 40.35 H new ATOM 0 HB3 GLU A 3 -7.461 1.625 -5.388 1.00 40.35 H new ATOM 0 HG2 GLU A 3 -7.761 -0.108 -3.816 1.00 14.13 H new ATOM 0 HG3 GLU A 3 -6.042 -0.286 -3.523 1.00 14.13 H new ATOM 65 N SER A 4 -6.784 -0.316 -8.118 1.00 12.43 N ATOM 66 CA SER A 4 -7.262 -0.133 -9.478 1.00 23.12 C ATOM 67 C SER A 4 -8.788 -0.024 -9.486 1.00 42.44 C ATOM 68 O SER A 4 -9.463 -0.646 -8.668 1.00 60.11 O ATOM 69 CB SER A 4 -6.807 -1.282 -10.380 1.00 42.10 C ATOM 70 OG SER A 4 -5.915 -2.168 -9.708 1.00 53.51 O ATOM 0 H SER A 4 -6.861 -1.269 -7.764 1.00 12.43 H new ATOM 0 HA SER A 4 -6.836 0.791 -9.869 1.00 23.12 H new ATOM 0 HB2 SER A 4 -7.678 -1.838 -10.726 1.00 42.10 H new ATOM 0 HB3 SER A 4 -6.316 -0.876 -11.265 1.00 42.10 H new ATOM 0 HG SER A 4 -6.203 -3.094 -9.852 1.00 53.51 H new ATOM 76 N VAL A 5 -9.287 0.772 -10.421 1.00 3.33 N ATOM 77 CA VAL A 5 -10.721 0.971 -10.547 1.00 5.43 C ATOM 78 C VAL A 5 -11.397 -0.376 -10.804 1.00 75.41 C ATOM 79 O VAL A 5 -10.884 -1.198 -11.561 1.00 61.44 O ATOM 80 CB VAL A 5 -11.012 2.004 -11.637 1.00 44.51 C ATOM 81 CG1 VAL A 5 -12.512 2.093 -11.922 1.00 12.34 C ATOM 82 CG2 VAL A 5 -10.443 3.374 -11.261 1.00 2.04 C ATOM 0 H VAL A 5 -8.724 1.286 -11.098 1.00 3.33 H new ATOM 0 HA VAL A 5 -11.134 1.371 -9.621 1.00 5.43 H new ATOM 0 HB VAL A 5 -10.517 1.675 -12.550 1.00 44.51 H new ATOM 0 HG11 VAL A 5 -12.691 2.835 -12.701 1.00 12.34 H new ATOM 0 HG12 VAL A 5 -12.877 1.122 -12.255 1.00 12.34 H new ATOM 0 HG13 VAL A 5 -13.038 2.386 -11.014 1.00 12.34 H new ATOM 0 HG21 VAL A 5 -10.664 4.090 -12.053 1.00 2.04 H new ATOM 0 HG22 VAL A 5 -10.896 3.713 -10.329 1.00 2.04 H new ATOM 0 HG23 VAL A 5 -9.363 3.297 -11.133 1.00 2.04 H new ATOM 92 N VAL A 6 -12.540 -0.561 -10.159 1.00 60.32 N ATOM 93 CA VAL A 6 -13.293 -1.795 -10.309 1.00 24.22 C ATOM 94 C VAL A 6 -14.784 -1.469 -10.409 1.00 40.10 C ATOM 95 O VAL A 6 -15.340 -0.815 -9.529 1.00 15.44 O ATOM 96 CB VAL A 6 -12.965 -2.750 -9.159 1.00 75.31 C ATOM 97 CG1 VAL A 6 -13.664 -4.098 -9.350 1.00 51.03 C ATOM 98 CG2 VAL A 6 -11.454 -2.932 -9.011 1.00 24.41 C ATOM 0 H VAL A 6 -12.963 0.123 -9.531 1.00 60.32 H new ATOM 0 HA VAL A 6 -13.010 -2.306 -11.229 1.00 24.22 H new ATOM 0 HB VAL A 6 -13.340 -2.306 -8.237 1.00 75.31 H new ATOM 0 HG11 VAL A 6 -13.414 -4.758 -8.519 1.00 51.03 H new ATOM 0 HG12 VAL A 6 -14.743 -3.947 -9.382 1.00 51.03 H new ATOM 0 HG13 VAL A 6 -13.333 -4.550 -10.285 1.00 51.03 H new ATOM 0 HG21 VAL A 6 -11.249 -3.615 -8.187 1.00 24.41 H new ATOM 0 HG22 VAL A 6 -11.045 -3.343 -9.934 1.00 24.41 H new ATOM 0 HG23 VAL A 6 -10.990 -1.967 -8.807 1.00 24.41 H new ATOM 108 N ALA A 7 -15.389 -1.940 -11.490 1.00 2.04 N ATOM 109 CA ALA A 7 -16.805 -1.706 -11.716 1.00 60.54 C ATOM 110 C ALA A 7 -17.571 -1.943 -10.413 1.00 54.15 C ATOM 111 O ALA A 7 -17.750 -3.085 -9.992 1.00 44.24 O ATOM 112 CB ALA A 7 -17.295 -2.606 -12.853 1.00 13.03 C ATOM 0 H ALA A 7 -14.924 -2.482 -12.218 1.00 2.04 H new ATOM 0 HA ALA A 7 -16.981 -0.674 -12.018 1.00 60.54 H new ATOM 0 HB1 ALA A 7 -18.357 -2.431 -13.023 1.00 13.03 H new ATOM 0 HB2 ALA A 7 -16.739 -2.378 -13.763 1.00 13.03 H new ATOM 0 HB3 ALA A 7 -17.138 -3.650 -12.584 1.00 13.03 H new ATOM 118 N ALA A 8 -18.004 -0.845 -9.811 1.00 54.04 N ATOM 119 CA ALA A 8 -18.748 -0.918 -8.565 1.00 64.40 C ATOM 120 C ALA A 8 -20.061 -1.666 -8.803 1.00 12.12 C ATOM 121 O ALA A 8 -20.614 -2.265 -7.882 1.00 30.31 O ATOM 122 CB ALA A 8 -18.971 0.494 -8.020 1.00 23.55 C ATOM 0 H ALA A 8 -17.854 0.100 -10.163 1.00 54.04 H new ATOM 0 HA ALA A 8 -18.185 -1.472 -7.814 1.00 64.40 H new ATOM 0 HB1 ALA A 8 -19.529 0.439 -7.085 1.00 23.55 H new ATOM 0 HB2 ALA A 8 -18.008 0.971 -7.840 1.00 23.55 H new ATOM 0 HB3 ALA A 8 -19.535 1.079 -8.746 1.00 23.55 H new ATOM 128 N GLN A 9 -20.523 -1.606 -10.043 1.00 41.02 N ATOM 129 CA GLN A 9 -21.761 -2.270 -10.414 1.00 12.22 C ATOM 130 C GLN A 9 -21.789 -2.540 -11.920 1.00 3.05 C ATOM 131 O GLN A 9 -20.890 -2.118 -12.646 1.00 32.11 O ATOM 132 CB GLN A 9 -22.976 -1.445 -9.983 1.00 24.25 C ATOM 133 CG GLN A 9 -22.652 0.050 -9.985 1.00 2.25 C ATOM 134 CD GLN A 9 -23.819 0.865 -9.423 1.00 20.41 C ATOM 135 OE1 GLN A 9 -23.931 1.097 -8.230 1.00 63.43 O ATOM 136 NE2 GLN A 9 -24.680 1.284 -10.346 1.00 45.40 N ATOM 0 H GLN A 9 -20.062 -1.107 -10.804 1.00 41.02 H new ATOM 0 HA GLN A 9 -21.808 -3.226 -9.892 1.00 12.22 H new ATOM 0 HB2 GLN A 9 -23.810 -1.641 -10.656 1.00 24.25 H new ATOM 0 HB3 GLN A 9 -23.293 -1.751 -8.986 1.00 24.25 H new ATOM 0 HG2 GLN A 9 -21.757 0.232 -9.391 1.00 2.25 H new ATOM 0 HG3 GLN A 9 -22.432 0.377 -11.001 1.00 2.25 H new ATOM 0 HE21 GLN A 9 -24.527 1.055 -11.328 1.00 45.40 H new ATOM 0 HE22 GLN A 9 -25.494 1.835 -10.072 1.00 45.40 H new ATOM 145 N LEU A 10 -22.829 -3.242 -12.344 1.00 13.34 N ATOM 146 CA LEU A 10 -22.986 -3.573 -13.750 1.00 24.23 C ATOM 147 C LEU A 10 -22.946 -2.288 -14.580 1.00 23.45 C ATOM 148 O LEU A 10 -23.779 -1.402 -14.398 1.00 5.33 O ATOM 149 CB LEU A 10 -24.250 -4.406 -13.966 1.00 75.34 C ATOM 150 CG LEU A 10 -24.535 -4.830 -15.409 1.00 34.33 C ATOM 151 CD1 LEU A 10 -23.790 -6.120 -15.758 1.00 75.03 C ATOM 152 CD2 LEU A 10 -26.040 -4.952 -15.657 1.00 72.12 C ATOM 0 H LEU A 10 -23.572 -3.591 -11.738 1.00 13.34 H new ATOM 0 HA LEU A 10 -22.159 -4.197 -14.089 1.00 24.23 H new ATOM 0 HB2 LEU A 10 -24.179 -5.304 -13.352 1.00 75.34 H new ATOM 0 HB3 LEU A 10 -25.104 -3.836 -13.600 1.00 75.34 H new ATOM 0 HG LEU A 10 -24.161 -4.052 -16.075 1.00 34.33 H new ATOM 0 HD11 LEU A 10 -24.009 -6.400 -16.788 1.00 75.03 H new ATOM 0 HD12 LEU A 10 -22.717 -5.963 -15.645 1.00 75.03 H new ATOM 0 HD13 LEU A 10 -24.112 -6.918 -15.089 1.00 75.03 H new ATOM 0 HD21 LEU A 10 -26.215 -5.254 -16.689 1.00 72.12 H new ATOM 0 HD22 LEU A 10 -26.460 -5.699 -14.984 1.00 72.12 H new ATOM 0 HD23 LEU A 10 -26.518 -3.990 -15.475 1.00 72.12 H new ATOM 164 N ILE A 11 -21.969 -2.229 -15.473 1.00 11.01 N ATOM 165 CA ILE A 11 -21.810 -1.067 -16.331 1.00 62.53 C ATOM 166 C ILE A 11 -21.890 -1.506 -17.795 1.00 41.40 C ATOM 167 O ILE A 11 -20.982 -2.164 -18.300 1.00 42.44 O ATOM 168 CB ILE A 11 -20.523 -0.317 -15.984 1.00 3.24 C ATOM 169 CG1 ILE A 11 -20.577 0.233 -14.557 1.00 20.02 C ATOM 170 CG2 ILE A 11 -20.234 0.780 -17.010 1.00 45.31 C ATOM 171 CD1 ILE A 11 -19.183 0.261 -13.927 1.00 31.04 C ATOM 0 H ILE A 11 -21.280 -2.966 -15.621 1.00 11.01 H new ATOM 0 HA ILE A 11 -22.620 -0.357 -16.165 1.00 62.53 H new ATOM 0 HB ILE A 11 -19.694 -1.024 -16.026 1.00 3.24 H new ATOM 0 HG12 ILE A 11 -20.996 1.239 -14.567 1.00 20.02 H new ATOM 0 HG13 ILE A 11 -21.242 -0.383 -13.951 1.00 20.02 H new ATOM 0 HG21 ILE A 11 -19.314 1.298 -16.740 1.00 45.31 H new ATOM 0 HG22 ILE A 11 -20.122 0.334 -17.998 1.00 45.31 H new ATOM 0 HG23 ILE A 11 -21.060 1.491 -17.024 1.00 45.31 H new ATOM 0 HD11 ILE A 11 -19.250 0.656 -12.913 1.00 31.04 H new ATOM 0 HD12 ILE A 11 -18.777 -0.750 -13.896 1.00 31.04 H new ATOM 0 HD13 ILE A 11 -18.528 0.897 -14.522 1.00 31.04 H new ATOM 183 N PRO A 12 -23.014 -1.113 -18.452 1.00 12.02 N ATOM 184 CA PRO A 12 -23.225 -1.458 -19.847 1.00 63.14 C ATOM 185 C PRO A 12 -22.349 -0.600 -20.763 1.00 23.24 C ATOM 186 O PRO A 12 -21.702 0.341 -20.305 1.00 53.03 O ATOM 187 CB PRO A 12 -24.712 -1.251 -20.084 1.00 21.22 C ATOM 188 CG PRO A 12 -25.194 -0.359 -18.951 1.00 42.14 C ATOM 189 CD PRO A 12 -24.111 -0.333 -17.885 1.00 44.14 C ATOM 0 HA PRO A 12 -22.938 -2.485 -20.073 1.00 63.14 H new ATOM 0 HB2 PRO A 12 -24.892 -0.784 -21.052 1.00 21.22 H new ATOM 0 HB3 PRO A 12 -25.244 -2.203 -20.085 1.00 21.22 H new ATOM 0 HG2 PRO A 12 -25.394 0.648 -19.317 1.00 42.14 H new ATOM 0 HG3 PRO A 12 -26.128 -0.739 -18.537 1.00 42.14 H new ATOM 0 HD2 PRO A 12 -23.798 0.687 -17.663 1.00 44.14 H new ATOM 0 HD3 PRO A 12 -24.465 -0.768 -16.950 1.00 44.14 H new ATOM 197 N ILE A 13 -22.356 -0.956 -22.039 1.00 2.01 N ATOM 198 CA ILE A 13 -21.570 -0.230 -23.022 1.00 70.34 C ATOM 199 C ILE A 13 -22.233 1.120 -23.303 1.00 71.44 C ATOM 200 O ILE A 13 -23.456 1.205 -23.406 1.00 42.14 O ATOM 201 CB ILE A 13 -21.358 -1.084 -24.274 1.00 52.14 C ATOM 202 CG1 ILE A 13 -20.349 -0.429 -25.220 1.00 72.12 C ATOM 203 CG2 ILE A 13 -22.689 -1.377 -24.970 1.00 12.11 C ATOM 204 CD1 ILE A 13 -20.427 -1.047 -26.618 1.00 11.32 C ATOM 0 H ILE A 13 -22.893 -1.737 -22.415 1.00 2.01 H new ATOM 0 HA ILE A 13 -20.573 -0.021 -22.634 1.00 70.34 H new ATOM 0 HB ILE A 13 -20.937 -2.042 -23.967 1.00 52.14 H new ATOM 0 HG12 ILE A 13 -20.544 0.642 -25.280 1.00 72.12 H new ATOM 0 HG13 ILE A 13 -19.341 -0.548 -24.822 1.00 72.12 H new ATOM 0 HG21 ILE A 13 -22.510 -1.985 -25.857 1.00 12.11 H new ATOM 0 HG22 ILE A 13 -23.346 -1.916 -24.287 1.00 12.11 H new ATOM 0 HG23 ILE A 13 -23.161 -0.439 -25.263 1.00 12.11 H new ATOM 0 HD11 ILE A 13 -19.700 -0.564 -27.271 1.00 11.32 H new ATOM 0 HD12 ILE A 13 -20.208 -2.113 -26.557 1.00 11.32 H new ATOM 0 HD13 ILE A 13 -21.429 -0.905 -27.023 1.00 11.32 H new ATOM 216 N ASN A 14 -21.397 2.141 -23.419 1.00 70.23 N ATOM 217 CA ASN A 14 -21.887 3.482 -23.686 1.00 42.53 C ATOM 218 C ASN A 14 -22.617 4.009 -22.450 1.00 14.53 C ATOM 219 O ASN A 14 -23.576 4.771 -22.568 1.00 50.02 O ATOM 220 CB ASN A 14 -22.873 3.486 -24.856 1.00 14.04 C ATOM 221 CG ASN A 14 -22.347 2.645 -26.020 1.00 21.51 C ATOM 222 OD1 ASN A 14 -21.183 2.699 -26.382 1.00 72.44 O ATOM 223 ND2 ASN A 14 -23.266 1.866 -26.584 1.00 20.14 N ATOM 0 H ASN A 14 -20.383 2.066 -23.333 1.00 70.23 H new ATOM 0 HA ASN A 14 -21.031 4.110 -23.934 1.00 42.53 H new ATOM 0 HB2 ASN A 14 -23.836 3.095 -24.526 1.00 14.04 H new ATOM 0 HB3 ASN A 14 -23.042 4.510 -25.190 1.00 14.04 H new ATOM 0 HD21 ASN A 14 -23.014 1.266 -27.369 1.00 20.14 H new ATOM 0 HD22 ASN A 14 -24.223 1.869 -26.231 1.00 20.14 H new ATOM 230 N THR A 15 -22.136 3.583 -21.291 1.00 55.11 N ATOM 231 CA THR A 15 -22.732 4.003 -20.034 1.00 21.43 C ATOM 232 C THR A 15 -21.818 4.999 -19.317 1.00 73.03 C ATOM 233 O THR A 15 -20.736 4.636 -18.860 1.00 44.21 O ATOM 234 CB THR A 15 -23.028 2.748 -19.209 1.00 51.33 C ATOM 235 OG1 THR A 15 -23.793 1.928 -20.088 1.00 64.42 O ATOM 236 CG2 THR A 15 -23.976 3.026 -18.040 1.00 44.04 C ATOM 0 H THR A 15 -21.341 2.952 -21.196 1.00 55.11 H new ATOM 0 HA THR A 15 -23.671 4.531 -20.198 1.00 21.43 H new ATOM 0 HB THR A 15 -22.094 2.335 -18.829 1.00 51.33 H new ATOM 0 HG1 THR A 15 -24.613 2.400 -20.345 1.00 64.42 H new ATOM 0 HG21 THR A 15 -24.153 2.103 -17.488 1.00 44.04 H new ATOM 0 HG22 THR A 15 -23.528 3.766 -17.376 1.00 44.04 H new ATOM 0 HG23 THR A 15 -24.923 3.407 -18.422 1.00 44.04 H new ATOM 244 N ALA A 16 -22.288 6.235 -19.242 1.00 14.31 N ATOM 245 CA ALA A 16 -21.527 7.287 -18.589 1.00 34.12 C ATOM 246 C ALA A 16 -21.132 6.827 -17.184 1.00 15.21 C ATOM 247 O ALA A 16 -21.980 6.729 -16.298 1.00 70.40 O ATOM 248 CB ALA A 16 -22.350 8.577 -18.571 1.00 32.35 C ATOM 0 H ALA A 16 -23.187 6.532 -19.623 1.00 14.31 H new ATOM 0 HA ALA A 16 -20.609 7.494 -19.138 1.00 34.12 H new ATOM 0 HB1 ALA A 16 -21.779 9.366 -18.081 1.00 32.35 H new ATOM 0 HB2 ALA A 16 -22.579 8.876 -19.594 1.00 32.35 H new ATOM 0 HB3 ALA A 16 -23.278 8.409 -18.025 1.00 32.35 H new ATOM 254 N LEU A 17 -19.845 6.558 -17.024 1.00 50.31 N ATOM 255 CA LEU A 17 -19.327 6.112 -15.742 1.00 34.50 C ATOM 256 C LEU A 17 -19.733 7.111 -14.657 1.00 34.43 C ATOM 257 O LEU A 17 -19.879 8.302 -14.927 1.00 62.44 O ATOM 258 CB LEU A 17 -17.818 5.875 -15.827 1.00 31.05 C ATOM 259 CG LEU A 17 -17.368 4.742 -16.751 1.00 5.10 C ATOM 260 CD1 LEU A 17 -15.868 4.834 -17.040 1.00 50.01 C ATOM 261 CD2 LEU A 17 -17.758 3.378 -16.178 1.00 12.43 C ATOM 0 H LEU A 17 -19.145 6.640 -17.761 1.00 50.31 H new ATOM 0 HA LEU A 17 -19.762 5.151 -15.469 1.00 34.50 H new ATOM 0 HB2 LEU A 17 -17.343 6.798 -16.159 1.00 31.05 H new ATOM 0 HB3 LEU A 17 -17.446 5.668 -14.824 1.00 31.05 H new ATOM 0 HG LEU A 17 -17.888 4.851 -17.703 1.00 5.10 H new ATOM 0 HD11 LEU A 17 -15.574 4.017 -17.699 1.00 50.01 H new ATOM 0 HD12 LEU A 17 -15.648 5.786 -17.522 1.00 50.01 H new ATOM 0 HD13 LEU A 17 -15.312 4.764 -16.105 1.00 50.01 H new ATOM 0 HD21 LEU A 17 -17.426 2.591 -16.855 1.00 12.43 H new ATOM 0 HD22 LEU A 17 -17.285 3.243 -15.205 1.00 12.43 H new ATOM 0 HD23 LEU A 17 -18.841 3.327 -16.065 1.00 12.43 H new ATOM 273 N THR A 18 -19.905 6.589 -13.451 1.00 60.31 N ATOM 274 CA THR A 18 -20.291 7.420 -12.324 1.00 14.13 C ATOM 275 C THR A 18 -19.602 6.939 -11.045 1.00 42.35 C ATOM 276 O THR A 18 -19.126 5.807 -10.981 1.00 33.33 O ATOM 277 CB THR A 18 -21.818 7.411 -12.231 1.00 35.52 C ATOM 278 OG1 THR A 18 -22.176 6.062 -12.521 1.00 44.04 O ATOM 279 CG2 THR A 18 -22.478 8.220 -13.349 1.00 73.01 C ATOM 0 H THR A 18 -19.784 5.601 -13.230 1.00 60.31 H new ATOM 0 HA THR A 18 -19.965 8.451 -12.463 1.00 14.13 H new ATOM 0 HB THR A 18 -22.125 7.811 -11.264 1.00 35.52 H new ATOM 0 HG1 THR A 18 -23.112 6.027 -12.810 1.00 44.04 H new ATOM 0 HG21 THR A 18 -23.561 8.180 -13.236 1.00 73.01 H new ATOM 0 HG22 THR A 18 -22.145 9.256 -13.294 1.00 73.01 H new ATOM 0 HG23 THR A 18 -22.199 7.800 -14.315 1.00 73.01 H new ATOM 287 N LEU A 19 -19.569 7.824 -10.060 1.00 53.31 N ATOM 288 CA LEU A 19 -18.946 7.504 -8.787 1.00 42.52 C ATOM 289 C LEU A 19 -19.748 6.402 -8.094 1.00 32.50 C ATOM 290 O LEU A 19 -19.271 5.788 -7.141 1.00 33.52 O ATOM 291 CB LEU A 19 -18.778 8.768 -7.940 1.00 61.34 C ATOM 292 CG LEU A 19 -17.778 8.674 -6.786 1.00 62.53 C ATOM 293 CD1 LEU A 19 -16.433 8.127 -7.269 1.00 40.24 C ATOM 294 CD2 LEU A 19 -17.628 10.022 -6.079 1.00 40.02 C ATOM 0 H LEU A 19 -19.964 8.763 -10.118 1.00 53.31 H new ATOM 0 HA LEU A 19 -17.939 7.116 -8.943 1.00 42.52 H new ATOM 0 HB2 LEU A 19 -18.470 9.583 -8.596 1.00 61.34 H new ATOM 0 HB3 LEU A 19 -19.751 9.039 -7.530 1.00 61.34 H new ATOM 0 HG LEU A 19 -18.168 7.968 -6.053 1.00 62.53 H new ATOM 0 HD11 LEU A 19 -15.741 8.070 -6.429 1.00 40.24 H new ATOM 0 HD12 LEU A 19 -16.575 7.132 -7.690 1.00 40.24 H new ATOM 0 HD13 LEU A 19 -16.024 8.789 -8.032 1.00 40.24 H new ATOM 0 HD21 LEU A 19 -16.912 9.927 -5.263 1.00 40.02 H new ATOM 0 HD22 LEU A 19 -17.272 10.768 -6.790 1.00 40.02 H new ATOM 0 HD23 LEU A 19 -18.593 10.333 -5.680 1.00 40.02 H new ATOM 306 N VAL A 20 -20.953 6.184 -8.600 1.00 33.33 N ATOM 307 CA VAL A 20 -21.826 5.165 -8.041 1.00 55.51 C ATOM 308 C VAL A 20 -21.717 3.890 -8.879 1.00 53.34 C ATOM 309 O VAL A 20 -22.405 2.906 -8.611 1.00 41.25 O ATOM 310 CB VAL A 20 -23.258 5.698 -7.947 1.00 2.05 C ATOM 311 CG1 VAL A 20 -23.267 7.182 -7.573 1.00 31.41 C ATOM 312 CG2 VAL A 20 -24.020 5.456 -9.251 1.00 0.11 C ATOM 0 H VAL A 20 -21.345 6.695 -9.391 1.00 33.33 H new ATOM 0 HA VAL A 20 -21.519 4.914 -7.026 1.00 55.51 H new ATOM 0 HB VAL A 20 -23.768 5.150 -7.155 1.00 2.05 H new ATOM 0 HG11 VAL A 20 -24.296 7.536 -7.513 1.00 31.41 H new ATOM 0 HG12 VAL A 20 -22.780 7.317 -6.607 1.00 31.41 H new ATOM 0 HG13 VAL A 20 -22.731 7.752 -8.332 1.00 31.41 H new ATOM 0 HG21 VAL A 20 -25.034 5.844 -9.157 1.00 0.11 H new ATOM 0 HG22 VAL A 20 -23.511 5.965 -10.070 1.00 0.11 H new ATOM 0 HG23 VAL A 20 -24.058 4.386 -9.457 1.00 0.11 H new ATOM 322 N MET A 21 -20.848 3.949 -9.877 1.00 63.03 N ATOM 323 CA MET A 21 -20.640 2.811 -10.757 1.00 24.05 C ATOM 324 C MET A 21 -19.160 2.425 -10.813 1.00 31.01 C ATOM 325 O MET A 21 -18.777 1.529 -11.563 1.00 61.14 O ATOM 326 CB MET A 21 -21.131 3.156 -12.164 1.00 13.24 C ATOM 327 CG MET A 21 -22.660 3.152 -12.226 1.00 51.45 C ATOM 328 SD MET A 21 -23.202 2.805 -13.891 1.00 42.14 S ATOM 329 CE MET A 21 -22.023 3.781 -14.811 1.00 30.43 C ATOM 0 H MET A 21 -20.280 4.767 -10.096 1.00 63.03 H new ATOM 0 HA MET A 21 -21.203 1.964 -10.364 1.00 24.05 H new ATOM 0 HB2 MET A 21 -20.754 4.137 -12.455 1.00 13.24 H new ATOM 0 HB3 MET A 21 -20.732 2.436 -12.879 1.00 13.24 H new ATOM 0 HG2 MET A 21 -23.058 2.403 -11.542 1.00 51.45 H new ATOM 0 HG3 MET A 21 -23.048 4.118 -11.902 1.00 51.45 H new ATOM 0 HE1 MET A 21 -22.554 4.503 -15.431 1.00 30.43 H new ATOM 0 HE2 MET A 21 -21.369 4.310 -14.118 1.00 30.43 H new ATOM 0 HE3 MET A 21 -21.426 3.127 -15.446 1.00 30.43 H new ATOM 339 N MET A 22 -18.369 3.120 -10.009 1.00 50.43 N ATOM 340 CA MET A 22 -16.940 2.862 -9.958 1.00 71.32 C ATOM 341 C MET A 22 -16.437 2.847 -8.513 1.00 62.34 C ATOM 342 O MET A 22 -17.067 3.421 -7.627 1.00 1.02 O ATOM 343 CB MET A 22 -16.197 3.942 -10.747 1.00 10.14 C ATOM 344 CG MET A 22 -16.564 3.887 -12.231 1.00 42.41 C ATOM 345 SD MET A 22 -15.564 5.046 -13.150 1.00 22.30 S ATOM 346 CE MET A 22 -16.273 6.583 -12.586 1.00 13.51 C ATOM 0 H MET A 22 -18.691 3.862 -9.387 1.00 50.43 H new ATOM 0 HA MET A 22 -16.751 1.883 -10.399 1.00 71.32 H new ATOM 0 HB2 MET A 22 -16.442 4.925 -10.344 1.00 10.14 H new ATOM 0 HB3 MET A 22 -15.122 3.808 -10.629 1.00 10.14 H new ATOM 0 HG2 MET A 22 -16.412 2.878 -12.615 1.00 42.41 H new ATOM 0 HG3 MET A 22 -17.620 4.122 -12.362 1.00 42.41 H new ATOM 0 HE1 MET A 22 -16.093 7.361 -13.328 1.00 13.51 H new ATOM 0 HE2 MET A 22 -17.346 6.458 -12.444 1.00 13.51 H new ATOM 0 HE3 MET A 22 -15.813 6.871 -11.641 1.00 13.51 H new ATOM 356 N THR A 23 -15.306 2.183 -8.321 1.00 51.42 N ATOM 357 CA THR A 23 -14.711 2.086 -6.999 1.00 70.02 C ATOM 358 C THR A 23 -13.240 1.678 -7.105 1.00 52.32 C ATOM 359 O THR A 23 -12.622 1.839 -8.156 1.00 40.03 O ATOM 360 CB THR A 23 -15.553 1.113 -6.172 1.00 73.32 C ATOM 361 OG1 THR A 23 -15.003 1.205 -4.861 1.00 12.01 O ATOM 362 CG2 THR A 23 -15.323 -0.346 -6.571 1.00 62.31 C ATOM 0 H THR A 23 -14.786 1.707 -9.059 1.00 51.42 H new ATOM 0 HA THR A 23 -14.713 3.051 -6.493 1.00 70.02 H new ATOM 0 HB THR A 23 -16.609 1.359 -6.287 1.00 73.32 H new ATOM 0 HG1 THR A 23 -15.492 0.606 -4.258 1.00 12.01 H new ATOM 0 HG21 THR A 23 -15.945 -0.994 -5.953 1.00 62.31 H new ATOM 0 HG22 THR A 23 -15.587 -0.482 -7.620 1.00 62.31 H new ATOM 0 HG23 THR A 23 -14.274 -0.602 -6.424 1.00 62.31 H new ATOM 370 N THR A 24 -12.723 1.158 -6.002 1.00 5.40 N ATOM 371 CA THR A 24 -11.336 0.726 -5.958 1.00 1.35 C ATOM 372 C THR A 24 -11.229 -0.659 -5.317 1.00 12.24 C ATOM 373 O THR A 24 -12.080 -1.044 -4.516 1.00 54.34 O ATOM 374 CB THR A 24 -10.530 1.799 -5.223 1.00 43.41 C ATOM 375 OG1 THR A 24 -10.941 1.673 -3.865 1.00 3.54 O ATOM 376 CG2 THR A 24 -10.953 3.218 -5.611 1.00 32.34 C ATOM 0 H THR A 24 -13.239 1.026 -5.132 1.00 5.40 H new ATOM 0 HA THR A 24 -10.923 0.618 -6.961 1.00 1.35 H new ATOM 0 HB THR A 24 -9.469 1.666 -5.436 1.00 43.41 H new ATOM 0 HG1 THR A 24 -10.465 2.331 -3.317 1.00 3.54 H new ATOM 0 HG21 THR A 24 -10.350 3.941 -5.061 1.00 32.34 H new ATOM 0 HG22 THR A 24 -10.805 3.362 -6.681 1.00 32.34 H new ATOM 0 HG23 THR A 24 -12.005 3.363 -5.367 1.00 32.34 H new ATOM 384 N ARG A 25 -10.176 -1.370 -5.692 1.00 54.15 N ATOM 385 CA ARG A 25 -9.947 -2.704 -5.164 1.00 73.14 C ATOM 386 C ARG A 25 -8.705 -3.324 -5.808 1.00 53.30 C ATOM 387 O ARG A 25 -8.573 -3.330 -7.031 1.00 33.31 O ATOM 388 CB ARG A 25 -11.152 -3.612 -5.420 1.00 12.13 C ATOM 389 CG ARG A 25 -11.366 -4.580 -4.254 1.00 14.50 C ATOM 390 CD ARG A 25 -10.646 -5.906 -4.503 1.00 61.23 C ATOM 391 NE ARG A 25 -11.280 -6.983 -3.711 1.00 75.31 N ATOM 392 CZ ARG A 25 -10.647 -8.110 -3.321 1.00 42.22 C ATOM 393 NH1 ARG A 25 -9.353 -8.316 -3.648 1.00 33.32 N ATOM 394 NH2 ARG A 25 -11.311 -9.006 -2.616 1.00 71.30 N ATOM 0 H ARG A 25 -9.472 -1.047 -6.355 1.00 54.15 H new ATOM 0 HA ARG A 25 -9.796 -2.613 -4.088 1.00 73.14 H new ATOM 0 HB2 ARG A 25 -12.046 -3.005 -5.562 1.00 12.13 H new ATOM 0 HB3 ARG A 25 -10.999 -4.174 -6.341 1.00 12.13 H new ATOM 0 HG2 ARG A 25 -10.999 -4.130 -3.331 1.00 14.50 H new ATOM 0 HG3 ARG A 25 -12.432 -4.761 -4.118 1.00 14.50 H new ATOM 0 HD2 ARG A 25 -10.681 -6.155 -5.564 1.00 61.23 H new ATOM 0 HD3 ARG A 25 -9.594 -5.815 -4.232 1.00 61.23 H new ATOM 0 HE ARG A 25 -12.257 -6.867 -3.443 1.00 75.31 H new ATOM 0 HH11 ARG A 25 -8.847 -7.618 -4.193 1.00 33.32 H new ATOM 0 HH12 ARG A 25 -8.881 -9.170 -3.350 1.00 33.32 H new ATOM 0 HH21 ARG A 25 -12.288 -8.842 -2.373 1.00 71.30 H new ATOM 0 HH22 ARG A 25 -10.847 -9.863 -2.314 1.00 71.30 H new ATOM 407 N VAL A 26 -7.826 -3.829 -4.956 1.00 30.44 N ATOM 408 CA VAL A 26 -6.599 -4.450 -5.426 1.00 12.11 C ATOM 409 C VAL A 26 -6.942 -5.722 -6.204 1.00 41.33 C ATOM 410 O VAL A 26 -7.206 -6.765 -5.610 1.00 34.43 O ATOM 411 CB VAL A 26 -5.657 -4.706 -4.248 1.00 11.43 C ATOM 412 CG1 VAL A 26 -4.287 -5.181 -4.735 1.00 3.33 C ATOM 413 CG2 VAL A 26 -5.526 -3.459 -3.370 1.00 64.13 C ATOM 0 H VAL A 26 -7.939 -3.821 -3.942 1.00 30.44 H new ATOM 0 HA VAL A 26 -6.071 -3.784 -6.108 1.00 12.11 H new ATOM 0 HB VAL A 26 -6.089 -5.500 -3.639 1.00 11.43 H new ATOM 0 HG11 VAL A 26 -3.637 -5.356 -3.878 1.00 3.33 H new ATOM 0 HG12 VAL A 26 -4.402 -6.107 -5.298 1.00 3.33 H new ATOM 0 HG13 VAL A 26 -3.845 -4.419 -5.377 1.00 3.33 H new ATOM 0 HG21 VAL A 26 -4.851 -3.668 -2.540 1.00 64.13 H new ATOM 0 HG22 VAL A 26 -5.128 -2.636 -3.964 1.00 64.13 H new ATOM 0 HG23 VAL A 26 -6.506 -3.184 -2.980 1.00 64.13 H new ATOM 423 N VAL A 27 -6.926 -5.593 -7.523 1.00 1.52 N ATOM 424 CA VAL A 27 -7.232 -6.718 -8.389 1.00 23.51 C ATOM 425 C VAL A 27 -6.031 -7.001 -9.294 1.00 0.00 C ATOM 426 O VAL A 27 -5.126 -6.175 -9.407 1.00 32.43 O ATOM 427 CB VAL A 27 -8.518 -6.443 -9.170 1.00 60.35 C ATOM 428 CG1 VAL A 27 -9.658 -6.049 -8.229 1.00 43.22 C ATOM 429 CG2 VAL A 27 -8.292 -5.371 -10.238 1.00 0.31 C ATOM 0 H VAL A 27 -6.706 -4.726 -8.013 1.00 1.52 H new ATOM 0 HA VAL A 27 -7.413 -7.616 -7.799 1.00 23.51 H new ATOM 0 HB VAL A 27 -8.806 -7.364 -9.676 1.00 60.35 H new ATOM 0 HG11 VAL A 27 -10.560 -5.859 -8.810 1.00 43.22 H new ATOM 0 HG12 VAL A 27 -9.844 -6.859 -7.524 1.00 43.22 H new ATOM 0 HG13 VAL A 27 -9.383 -5.148 -7.681 1.00 43.22 H new ATOM 0 HG21 VAL A 27 -9.222 -5.194 -10.779 1.00 0.31 H new ATOM 0 HG22 VAL A 27 -7.968 -4.446 -9.762 1.00 0.31 H new ATOM 0 HG23 VAL A 27 -7.525 -5.708 -10.935 1.00 0.31 H new ATOM 439 N SER A 28 -6.062 -8.170 -9.916 1.00 25.40 N ATOM 440 CA SER A 28 -4.987 -8.572 -10.808 1.00 21.13 C ATOM 441 C SER A 28 -5.565 -9.239 -12.057 1.00 75.41 C ATOM 442 O SER A 28 -6.398 -10.139 -11.956 1.00 22.33 O ATOM 443 CB SER A 28 -4.012 -9.518 -10.104 1.00 20.21 C ATOM 444 OG SER A 28 -2.688 -9.400 -10.619 1.00 34.52 O ATOM 0 H SER A 28 -6.814 -8.852 -9.820 1.00 25.40 H new ATOM 0 HA SER A 28 -4.436 -7.679 -11.103 1.00 21.13 H new ATOM 0 HB2 SER A 28 -4.006 -9.303 -9.035 1.00 20.21 H new ATOM 0 HB3 SER A 28 -4.356 -10.546 -10.220 1.00 20.21 H new ATOM 0 HG SER A 28 -2.095 -10.019 -10.143 1.00 34.52 H new ATOM 450 N PRO A 29 -5.089 -8.760 -13.237 1.00 54.03 N ATOM 451 CA PRO A 29 -4.104 -7.692 -13.269 1.00 35.23 C ATOM 452 C PRO A 29 -4.748 -6.343 -12.940 1.00 65.24 C ATOM 453 O PRO A 29 -5.970 -6.209 -12.978 1.00 4.45 O ATOM 454 CB PRO A 29 -3.513 -7.743 -14.668 1.00 20.51 C ATOM 455 CG PRO A 29 -4.506 -8.525 -15.512 1.00 34.41 C ATOM 456 CD PRO A 29 -5.475 -9.220 -14.568 1.00 44.03 C ATOM 0 HA PRO A 29 -3.324 -7.816 -12.518 1.00 35.23 H new ATOM 0 HB2 PRO A 29 -3.367 -6.739 -15.067 1.00 20.51 H new ATOM 0 HB3 PRO A 29 -2.537 -8.229 -14.662 1.00 20.51 H new ATOM 0 HG2 PRO A 29 -5.043 -7.858 -16.186 1.00 34.41 H new ATOM 0 HG3 PRO A 29 -3.987 -9.256 -16.133 1.00 34.41 H new ATOM 0 HD2 PRO A 29 -6.508 -8.955 -14.795 1.00 44.03 H new ATOM 0 HD3 PRO A 29 -5.399 -10.304 -14.650 1.00 44.03 H new ATOM 464 N THR A 30 -3.895 -5.378 -12.627 1.00 35.45 N ATOM 465 CA THR A 30 -4.365 -4.045 -12.292 1.00 52.31 C ATOM 466 C THR A 30 -4.683 -3.257 -13.564 1.00 42.54 C ATOM 467 O THR A 30 -4.034 -3.443 -14.593 1.00 31.13 O ATOM 468 CB THR A 30 -3.306 -3.377 -11.412 1.00 73.33 C ATOM 469 OG1 THR A 30 -2.069 -3.775 -11.996 1.00 62.31 O ATOM 470 CG2 THR A 30 -3.260 -3.968 -10.002 1.00 21.03 C ATOM 0 H THR A 30 -2.882 -5.493 -12.598 1.00 35.45 H new ATOM 0 HA THR A 30 -5.298 -4.084 -11.729 1.00 52.31 H new ATOM 0 HB THR A 30 -3.506 -2.307 -11.351 1.00 73.33 H new ATOM 0 HG1 THR A 30 -1.327 -3.385 -11.489 1.00 62.31 H new ATOM 0 HG21 THR A 30 -2.492 -3.459 -9.419 1.00 21.03 H new ATOM 0 HG22 THR A 30 -4.229 -3.836 -9.520 1.00 21.03 H new ATOM 0 HG23 THR A 30 -3.026 -5.031 -10.060 1.00 21.03 H new ATOM 478 N GLY A 31 -5.681 -2.392 -13.453 1.00 62.32 N ATOM 479 CA GLY A 31 -6.092 -1.575 -14.582 1.00 34.11 C ATOM 480 C GLY A 31 -6.022 -0.086 -14.235 1.00 73.44 C ATOM 481 O GLY A 31 -5.093 0.354 -13.560 1.00 55.31 O ATOM 0 H GLY A 31 -6.217 -2.239 -12.599 1.00 62.32 H new ATOM 0 HA2 GLY A 31 -5.451 -1.783 -15.439 1.00 34.11 H new ATOM 0 HA3 GLY A 31 -7.109 -1.837 -14.874 1.00 34.11 H new ATOM 485 N ILE A 32 -7.017 0.647 -14.714 1.00 5.24 N ATOM 486 CA ILE A 32 -7.079 2.077 -14.463 1.00 13.10 C ATOM 487 C ILE A 32 -6.830 2.341 -12.977 1.00 11.43 C ATOM 488 O ILE A 32 -7.321 1.607 -12.121 1.00 71.20 O ATOM 489 CB ILE A 32 -8.400 2.654 -14.977 1.00 61.32 C ATOM 490 CG1 ILE A 32 -8.468 2.590 -16.504 1.00 53.14 C ATOM 491 CG2 ILE A 32 -8.619 4.074 -14.452 1.00 53.12 C ATOM 492 CD1 ILE A 32 -9.914 2.698 -16.993 1.00 40.34 C ATOM 0 H ILE A 32 -7.786 0.278 -15.274 1.00 5.24 H new ATOM 0 HA ILE A 32 -6.295 2.595 -15.015 1.00 13.10 H new ATOM 0 HB ILE A 32 -9.214 2.040 -14.592 1.00 61.32 H new ATOM 0 HG12 ILE A 32 -7.874 3.397 -16.932 1.00 53.14 H new ATOM 0 HG13 ILE A 32 -8.031 1.654 -16.852 1.00 53.14 H new ATOM 0 HG21 ILE A 32 -9.565 4.461 -14.832 1.00 53.12 H new ATOM 0 HG22 ILE A 32 -8.645 4.059 -13.362 1.00 53.12 H new ATOM 0 HG23 ILE A 32 -7.804 4.715 -14.787 1.00 53.12 H new ATOM 0 HD11 ILE A 32 -9.934 2.650 -18.082 1.00 40.34 H new ATOM 0 HD12 ILE A 32 -10.499 1.875 -16.582 1.00 40.34 H new ATOM 0 HD13 ILE A 32 -10.340 3.646 -16.664 1.00 40.34 H new ATOM 504 N PRO A 33 -6.047 3.421 -12.708 1.00 72.52 N ATOM 505 CA PRO A 33 -5.727 3.791 -11.340 1.00 62.12 C ATOM 506 C PRO A 33 -6.927 4.447 -10.655 1.00 2.45 C ATOM 507 O PRO A 33 -7.690 5.172 -11.291 1.00 1.40 O ATOM 508 CB PRO A 33 -4.527 4.718 -11.454 1.00 75.41 C ATOM 509 CG PRO A 33 -4.509 5.201 -12.895 1.00 72.53 C ATOM 510 CD PRO A 33 -5.448 4.313 -13.696 1.00 54.31 C ATOM 0 HA PRO A 33 -5.490 2.930 -10.715 1.00 62.12 H new ATOM 0 HB2 PRO A 33 -4.614 5.556 -10.762 1.00 75.41 H new ATOM 0 HB3 PRO A 33 -3.604 4.194 -11.206 1.00 75.41 H new ATOM 0 HG2 PRO A 33 -4.826 6.242 -12.953 1.00 72.53 H new ATOM 0 HG3 PRO A 33 -3.499 5.153 -13.301 1.00 72.53 H new ATOM 0 HD2 PRO A 33 -6.208 4.902 -14.210 1.00 54.31 H new ATOM 0 HD3 PRO A 33 -4.908 3.753 -14.460 1.00 54.31 H new ATOM 518 N ALA A 34 -7.056 4.170 -9.366 1.00 20.25 N ATOM 519 CA ALA A 34 -8.150 4.724 -8.586 1.00 40.45 C ATOM 520 C ALA A 34 -8.071 6.252 -8.620 1.00 3.05 C ATOM 521 O ALA A 34 -9.062 6.934 -8.365 1.00 1.35 O ATOM 522 CB ALA A 34 -8.096 4.168 -7.162 1.00 42.51 C ATOM 0 H ALA A 34 -6.421 3.569 -8.842 1.00 20.25 H new ATOM 0 HA ALA A 34 -9.111 4.434 -9.012 1.00 40.45 H new ATOM 0 HB1 ALA A 34 -8.917 4.584 -6.578 1.00 42.51 H new ATOM 0 HB2 ALA A 34 -8.186 3.082 -7.192 1.00 42.51 H new ATOM 0 HB3 ALA A 34 -7.147 4.441 -6.700 1.00 42.51 H new ATOM 528 N GLU A 35 -6.882 6.744 -8.936 1.00 0.31 N ATOM 529 CA GLU A 35 -6.660 8.179 -9.006 1.00 34.44 C ATOM 530 C GLU A 35 -7.364 8.766 -10.231 1.00 20.51 C ATOM 531 O GLU A 35 -7.372 9.980 -10.424 1.00 43.22 O ATOM 532 CB GLU A 35 -5.165 8.502 -9.025 1.00 12.13 C ATOM 533 CG GLU A 35 -4.374 7.486 -8.199 1.00 3.13 C ATOM 534 CD GLU A 35 -3.256 8.172 -7.411 1.00 25.20 C ATOM 535 OE1 GLU A 35 -3.454 8.536 -6.242 1.00 41.24 O ATOM 536 OE2 GLU A 35 -2.148 8.321 -8.055 1.00 24.03 O ATOM 0 H GLU A 35 -6.062 6.175 -9.146 1.00 0.31 H new ATOM 0 HA GLU A 35 -7.086 8.637 -8.113 1.00 34.44 H new ATOM 0 HB2 GLU A 35 -4.802 8.502 -10.053 1.00 12.13 H new ATOM 0 HB3 GLU A 35 -5.001 9.504 -8.629 1.00 12.13 H new ATOM 0 HG2 GLU A 35 -5.044 6.970 -7.512 1.00 3.13 H new ATOM 0 HG3 GLU A 35 -3.948 6.729 -8.858 1.00 3.13 H new ATOM 544 N ASP A 36 -7.938 7.875 -11.027 1.00 1.41 N ATOM 545 CA ASP A 36 -8.643 8.290 -12.228 1.00 65.12 C ATOM 546 C ASP A 36 -10.150 8.160 -12.001 1.00 1.04 C ATOM 547 O ASP A 36 -10.940 8.357 -12.923 1.00 2.24 O ATOM 548 CB ASP A 36 -8.266 7.407 -13.420 1.00 35.14 C ATOM 549 CG ASP A 36 -6.796 7.474 -13.835 1.00 64.23 C ATOM 550 OD1 ASP A 36 -6.410 6.971 -14.901 1.00 44.22 O ATOM 551 OD2 ASP A 36 -6.021 8.081 -13.002 1.00 4.12 O ATOM 0 H ASP A 36 -7.929 6.868 -10.864 1.00 1.41 H new ATOM 0 HA ASP A 36 -8.366 9.322 -12.442 1.00 65.12 H new ATOM 0 HB2 ASP A 36 -8.513 6.373 -13.179 1.00 35.14 H new ATOM 0 HB3 ASP A 36 -8.882 7.692 -14.273 1.00 35.14 H new ATOM 557 N ILE A 37 -10.503 7.829 -10.767 1.00 55.13 N ATOM 558 CA ILE A 37 -11.902 7.671 -10.407 1.00 31.51 C ATOM 559 C ILE A 37 -12.679 8.918 -10.834 1.00 21.41 C ATOM 560 O ILE A 37 -13.714 8.814 -11.490 1.00 12.21 O ATOM 561 CB ILE A 37 -12.038 7.341 -8.919 1.00 21.10 C ATOM 562 CG1 ILE A 37 -12.127 5.829 -8.698 1.00 43.51 C ATOM 563 CG2 ILE A 37 -13.225 8.081 -8.299 1.00 42.54 C ATOM 564 CD1 ILE A 37 -12.774 5.510 -7.349 1.00 71.42 C ATOM 0 H ILE A 37 -9.845 7.666 -10.005 1.00 55.13 H new ATOM 0 HA ILE A 37 -12.339 6.826 -10.939 1.00 31.51 H new ATOM 0 HB ILE A 37 -11.140 7.689 -8.409 1.00 21.10 H new ATOM 0 HG12 ILE A 37 -12.707 5.374 -9.501 1.00 43.51 H new ATOM 0 HG13 ILE A 37 -11.129 5.392 -8.739 1.00 43.51 H new ATOM 0 HG21 ILE A 37 -13.299 7.829 -7.241 1.00 42.54 H new ATOM 0 HG22 ILE A 37 -13.080 9.156 -8.406 1.00 42.54 H new ATOM 0 HG23 ILE A 37 -14.143 7.786 -8.807 1.00 42.54 H new ATOM 0 HD11 ILE A 37 -12.825 4.429 -7.217 1.00 71.42 H new ATOM 0 HD12 ILE A 37 -12.178 5.946 -6.547 1.00 71.42 H new ATOM 0 HD13 ILE A 37 -13.781 5.927 -7.321 1.00 71.42 H new ATOM 576 N PRO A 38 -12.135 10.098 -10.434 1.00 12.31 N ATOM 577 CA PRO A 38 -12.766 11.364 -10.768 1.00 62.11 C ATOM 578 C PRO A 38 -12.539 11.718 -12.239 1.00 41.12 C ATOM 579 O PRO A 38 -13.029 12.739 -12.718 1.00 54.24 O ATOM 580 CB PRO A 38 -12.152 12.374 -9.812 1.00 62.15 C ATOM 581 CG PRO A 38 -10.872 11.736 -9.298 1.00 22.34 C ATOM 582 CD PRO A 38 -10.910 10.259 -9.656 1.00 13.11 C ATOM 0 HA PRO A 38 -13.850 11.337 -10.655 1.00 62.11 H new ATOM 0 HB2 PRO A 38 -11.943 13.315 -10.320 1.00 62.15 H new ATOM 0 HB3 PRO A 38 -12.833 12.599 -8.991 1.00 62.15 H new ATOM 0 HG2 PRO A 38 -10.001 12.215 -9.745 1.00 22.34 H new ATOM 0 HG3 PRO A 38 -10.788 11.865 -8.219 1.00 22.34 H new ATOM 0 HD2 PRO A 38 -10.033 9.969 -10.234 1.00 13.11 H new ATOM 0 HD3 PRO A 38 -10.923 9.635 -8.762 1.00 13.11 H new ATOM 590 N ARG A 39 -11.795 10.854 -12.915 1.00 15.32 N ATOM 591 CA ARG A 39 -11.498 11.063 -14.322 1.00 22.13 C ATOM 592 C ARG A 39 -12.463 10.257 -15.194 1.00 24.14 C ATOM 593 O ARG A 39 -12.906 10.732 -16.238 1.00 44.11 O ATOM 594 CB ARG A 39 -10.061 10.651 -14.648 1.00 21.44 C ATOM 595 CG ARG A 39 -9.055 11.533 -13.905 1.00 55.32 C ATOM 596 CD ARG A 39 -7.708 11.559 -14.630 1.00 54.13 C ATOM 597 NE ARG A 39 -7.422 10.229 -15.214 1.00 0.45 N ATOM 598 CZ ARG A 39 -6.495 10.006 -16.169 1.00 72.23 C ATOM 599 NH1 ARG A 39 -5.756 11.024 -16.658 1.00 40.14 N ATOM 600 NH2 ARG A 39 -6.323 8.777 -16.619 1.00 23.34 N ATOM 0 H ARG A 39 -11.389 10.008 -12.514 1.00 15.32 H new ATOM 0 HA ARG A 39 -11.616 12.126 -14.532 1.00 22.13 H new ATOM 0 HB2 ARG A 39 -9.907 9.607 -14.374 1.00 21.44 H new ATOM 0 HB3 ARG A 39 -9.892 10.726 -15.722 1.00 21.44 H new ATOM 0 HG2 ARG A 39 -9.447 12.547 -13.822 1.00 55.32 H new ATOM 0 HG3 ARG A 39 -8.919 11.160 -12.890 1.00 55.32 H new ATOM 0 HD2 ARG A 39 -7.723 12.315 -15.415 1.00 54.13 H new ATOM 0 HD3 ARG A 39 -6.916 11.838 -13.934 1.00 54.13 H new ATOM 0 HE ARG A 39 -7.959 9.432 -14.873 1.00 0.45 H new ATOM 0 HH11 ARG A 39 -5.896 11.971 -16.306 1.00 40.14 H new ATOM 0 HH12 ARG A 39 -5.057 10.846 -17.380 1.00 40.14 H new ATOM 0 HH21 ARG A 39 -6.887 8.013 -16.245 1.00 23.34 H new ATOM 0 HH22 ARG A 39 -5.627 8.591 -17.341 1.00 23.34 H new ATOM 613 N LEU A 40 -12.760 9.051 -14.733 1.00 23.15 N ATOM 614 CA LEU A 40 -13.664 8.174 -15.457 1.00 41.34 C ATOM 615 C LEU A 40 -15.087 8.730 -15.368 1.00 22.31 C ATOM 616 O LEU A 40 -15.911 8.480 -16.246 1.00 42.13 O ATOM 617 CB LEU A 40 -13.533 6.735 -14.955 1.00 2.21 C ATOM 618 CG LEU A 40 -12.294 5.970 -15.427 1.00 14.35 C ATOM 619 CD1 LEU A 40 -12.238 5.906 -16.954 1.00 53.40 C ATOM 620 CD2 LEU A 40 -11.019 6.570 -14.831 1.00 13.43 C ATOM 0 H LEU A 40 -12.390 8.660 -13.866 1.00 23.15 H new ATOM 0 HA LEU A 40 -13.399 8.143 -16.514 1.00 41.34 H new ATOM 0 HB2 LEU A 40 -13.533 6.750 -13.865 1.00 2.21 H new ATOM 0 HB3 LEU A 40 -14.418 6.181 -15.266 1.00 2.21 H new ATOM 0 HG LEU A 40 -12.367 4.945 -15.064 1.00 14.35 H new ATOM 0 HD11 LEU A 40 -11.348 5.357 -17.263 1.00 53.40 H new ATOM 0 HD12 LEU A 40 -13.126 5.398 -17.330 1.00 53.40 H new ATOM 0 HD13 LEU A 40 -12.200 6.917 -17.359 1.00 53.40 H new ATOM 0 HD21 LEU A 40 -10.154 6.008 -15.182 1.00 13.43 H new ATOM 0 HD22 LEU A 40 -10.927 7.611 -15.142 1.00 13.43 H new ATOM 0 HD23 LEU A 40 -11.067 6.520 -13.743 1.00 13.43 H new ATOM 632 N ILE A 41 -15.332 9.473 -14.298 1.00 64.55 N ATOM 633 CA ILE A 41 -16.641 10.065 -14.083 1.00 5.43 C ATOM 634 C ILE A 41 -17.016 10.917 -15.297 1.00 74.21 C ATOM 635 O ILE A 41 -16.218 11.728 -15.762 1.00 5.30 O ATOM 636 CB ILE A 41 -16.669 10.834 -12.760 1.00 52.01 C ATOM 637 CG1 ILE A 41 -16.346 9.912 -11.583 1.00 32.32 C ATOM 638 CG2 ILE A 41 -18.006 11.555 -12.574 1.00 22.23 C ATOM 639 CD1 ILE A 41 -17.619 9.511 -10.835 1.00 13.54 C ATOM 0 H ILE A 41 -14.646 9.678 -13.571 1.00 64.55 H new ATOM 0 HA ILE A 41 -17.401 9.289 -13.991 1.00 5.43 H new ATOM 0 HB ILE A 41 -15.893 11.598 -12.792 1.00 52.01 H new ATOM 0 HG12 ILE A 41 -15.836 9.019 -11.945 1.00 32.32 H new ATOM 0 HG13 ILE A 41 -15.662 10.415 -10.900 1.00 32.32 H new ATOM 0 HG21 ILE A 41 -18.000 12.094 -11.626 1.00 22.23 H new ATOM 0 HG22 ILE A 41 -18.156 12.260 -13.392 1.00 22.23 H new ATOM 0 HG23 ILE A 41 -18.816 10.825 -12.571 1.00 22.23 H new ATOM 0 HD11 ILE A 41 -17.361 8.856 -10.003 1.00 13.54 H new ATOM 0 HD12 ILE A 41 -18.113 10.404 -10.453 1.00 13.54 H new ATOM 0 HD13 ILE A 41 -18.291 8.987 -11.515 1.00 13.54 H new ATOM 651 N SER A 42 -18.233 10.702 -15.776 1.00 41.42 N ATOM 652 CA SER A 42 -18.724 11.440 -16.928 1.00 15.04 C ATOM 653 C SER A 42 -18.290 10.744 -18.219 1.00 54.02 C ATOM 654 O SER A 42 -18.808 11.043 -19.294 1.00 52.21 O ATOM 655 CB SER A 42 -18.224 12.886 -16.910 1.00 35.21 C ATOM 656 OG SER A 42 -18.275 13.452 -15.603 1.00 51.22 O ATOM 0 H SER A 42 -18.893 10.028 -15.388 1.00 41.42 H new ATOM 0 HA SER A 42 -19.813 11.460 -16.882 1.00 15.04 H new ATOM 0 HB2 SER A 42 -17.199 12.920 -17.280 1.00 35.21 H new ATOM 0 HB3 SER A 42 -18.828 13.487 -17.589 1.00 35.21 H new ATOM 0 HG SER A 42 -17.946 14.375 -15.633 1.00 51.22 H new ATOM 662 N MET A 43 -17.344 9.829 -18.071 1.00 71.40 N ATOM 663 CA MET A 43 -16.834 9.088 -19.212 1.00 74.33 C ATOM 664 C MET A 43 -17.489 7.708 -19.307 1.00 54.23 C ATOM 665 O MET A 43 -17.492 6.950 -18.338 1.00 51.35 O ATOM 666 CB MET A 43 -15.319 8.925 -19.080 1.00 42.42 C ATOM 667 CG MET A 43 -14.690 10.158 -18.426 1.00 74.33 C ATOM 668 SD MET A 43 -13.051 10.426 -19.079 1.00 50.23 S ATOM 669 CE MET A 43 -12.531 8.735 -19.317 1.00 54.23 C ATOM 0 H MET A 43 -16.917 9.584 -17.178 1.00 71.40 H new ATOM 0 HA MET A 43 -17.071 9.646 -20.118 1.00 74.33 H new ATOM 0 HB2 MET A 43 -15.095 8.039 -18.485 1.00 42.42 H new ATOM 0 HB3 MET A 43 -14.879 8.767 -20.065 1.00 42.42 H new ATOM 0 HG2 MET A 43 -15.311 11.034 -18.610 1.00 74.33 H new ATOM 0 HG3 MET A 43 -14.642 10.022 -17.346 1.00 74.33 H new ATOM 0 HE1 MET A 43 -11.481 8.635 -19.043 1.00 54.23 H new ATOM 0 HE2 MET A 43 -13.133 8.077 -18.690 1.00 54.23 H new ATOM 0 HE3 MET A 43 -12.661 8.458 -20.363 1.00 54.23 H new ATOM 679 N GLN A 44 -18.029 7.424 -20.484 1.00 3.23 N ATOM 680 CA GLN A 44 -18.685 6.149 -20.718 1.00 13.31 C ATOM 681 C GLN A 44 -17.647 5.060 -20.992 1.00 24.34 C ATOM 682 O GLN A 44 -16.446 5.325 -20.978 1.00 65.31 O ATOM 683 CB GLN A 44 -19.688 6.252 -21.869 1.00 12.23 C ATOM 684 CG GLN A 44 -20.608 7.461 -21.688 1.00 13.14 C ATOM 685 CD GLN A 44 -20.914 8.124 -23.032 1.00 63.04 C ATOM 686 OE1 GLN A 44 -20.663 9.299 -23.246 1.00 33.13 O ATOM 687 NE2 GLN A 44 -21.467 7.308 -23.925 1.00 20.43 N ATOM 0 H GLN A 44 -18.025 8.055 -21.285 1.00 3.23 H new ATOM 0 HA GLN A 44 -19.239 5.877 -19.819 1.00 13.31 H new ATOM 0 HB2 GLN A 44 -19.154 6.336 -22.815 1.00 12.23 H new ATOM 0 HB3 GLN A 44 -20.284 5.341 -21.919 1.00 12.23 H new ATOM 0 HG2 GLN A 44 -21.538 7.147 -21.213 1.00 13.14 H new ATOM 0 HG3 GLN A 44 -20.138 8.183 -21.021 1.00 13.14 H new ATOM 0 HE21 GLN A 44 -21.651 6.335 -23.681 1.00 20.43 H new ATOM 0 HE22 GLN A 44 -21.707 7.656 -24.853 1.00 20.43 H new ATOM 696 N VAL A 45 -18.147 3.857 -21.234 1.00 11.15 N ATOM 697 CA VAL A 45 -17.277 2.726 -21.510 1.00 14.30 C ATOM 698 C VAL A 45 -17.458 2.294 -22.966 1.00 70.34 C ATOM 699 O VAL A 45 -18.515 2.513 -23.556 1.00 61.23 O ATOM 700 CB VAL A 45 -17.552 1.599 -20.513 1.00 32.21 C ATOM 701 CG1 VAL A 45 -16.979 1.934 -19.135 1.00 21.14 C ATOM 702 CG2 VAL A 45 -19.050 1.297 -20.426 1.00 4.05 C ATOM 0 H VAL A 45 -19.144 3.641 -21.245 1.00 11.15 H new ATOM 0 HA VAL A 45 -16.232 3.007 -21.381 1.00 14.30 H new ATOM 0 HB VAL A 45 -17.050 0.702 -20.875 1.00 32.21 H new ATOM 0 HG11 VAL A 45 -17.188 1.116 -18.445 1.00 21.14 H new ATOM 0 HG12 VAL A 45 -15.901 2.075 -19.214 1.00 21.14 H new ATOM 0 HG13 VAL A 45 -17.439 2.849 -18.763 1.00 21.14 H new ATOM 0 HG21 VAL A 45 -19.218 0.492 -19.710 1.00 4.05 H new ATOM 0 HG22 VAL A 45 -19.583 2.190 -20.099 1.00 4.05 H new ATOM 0 HG23 VAL A 45 -19.418 0.993 -21.406 1.00 4.05 H new ATOM 712 N ASN A 46 -16.410 1.687 -23.504 1.00 51.13 N ATOM 713 CA ASN A 46 -16.440 1.222 -24.881 1.00 22.25 C ATOM 714 C ASN A 46 -16.669 -0.291 -24.898 1.00 52.21 C ATOM 715 O ASN A 46 -16.290 -0.969 -25.852 1.00 13.31 O ATOM 716 CB ASN A 46 -15.113 1.507 -25.587 1.00 20.10 C ATOM 717 CG ASN A 46 -13.994 0.627 -25.028 1.00 23.55 C ATOM 718 OD1 ASN A 46 -14.109 -0.584 -24.934 1.00 70.50 O ATOM 719 ND2 ASN A 46 -12.907 1.300 -24.662 1.00 0.51 N ATOM 0 H ASN A 46 -15.535 1.506 -23.012 1.00 51.13 H new ATOM 0 HA ASN A 46 -17.243 1.747 -25.398 1.00 22.25 H new ATOM 0 HB2 ASN A 46 -15.221 1.328 -26.657 1.00 20.10 H new ATOM 0 HB3 ASN A 46 -14.850 2.558 -25.464 1.00 20.10 H new ATOM 0 HD21 ASN A 46 -12.105 0.802 -24.276 1.00 0.51 H new ATOM 0 HD22 ASN A 46 -12.875 2.314 -24.767 1.00 0.51 H new ATOM 726 N GLN A 47 -17.289 -0.776 -23.832 1.00 4.51 N ATOM 727 CA GLN A 47 -17.573 -2.195 -23.713 1.00 31.53 C ATOM 728 C GLN A 47 -18.355 -2.474 -22.428 1.00 33.14 C ATOM 729 O GLN A 47 -18.149 -1.808 -21.414 1.00 51.24 O ATOM 730 CB GLN A 47 -16.284 -3.019 -23.760 1.00 14.34 C ATOM 731 CG GLN A 47 -16.555 -4.482 -23.404 1.00 72.01 C ATOM 732 CD GLN A 47 -15.247 -5.243 -23.180 1.00 1.14 C ATOM 733 OE1 GLN A 47 -14.986 -6.272 -23.780 1.00 75.34 O ATOM 734 NE2 GLN A 47 -14.441 -4.680 -22.283 1.00 61.55 N ATOM 0 H GLN A 47 -17.602 -0.211 -23.043 1.00 4.51 H new ATOM 0 HA GLN A 47 -18.188 -2.494 -24.562 1.00 31.53 H new ATOM 0 HB2 GLN A 47 -15.846 -2.959 -24.756 1.00 14.34 H new ATOM 0 HB3 GLN A 47 -15.555 -2.601 -23.065 1.00 14.34 H new ATOM 0 HG2 GLN A 47 -17.168 -4.533 -22.504 1.00 72.01 H new ATOM 0 HG3 GLN A 47 -17.123 -4.956 -24.205 1.00 72.01 H new ATOM 0 HE21 GLN A 47 -14.721 -3.817 -21.816 1.00 61.55 H new ATOM 0 HE22 GLN A 47 -13.543 -5.111 -22.062 1.00 61.55 H new ATOM 743 N VAL A 48 -19.237 -3.460 -22.511 1.00 44.21 N ATOM 744 CA VAL A 48 -20.051 -3.835 -21.367 1.00 44.33 C ATOM 745 C VAL A 48 -19.140 -4.308 -20.232 1.00 54.41 C ATOM 746 O VAL A 48 -18.588 -5.405 -20.291 1.00 3.12 O ATOM 747 CB VAL A 48 -21.084 -4.884 -21.782 1.00 22.42 C ATOM 748 CG1 VAL A 48 -21.476 -5.766 -20.595 1.00 15.14 C ATOM 749 CG2 VAL A 48 -22.315 -4.225 -22.406 1.00 71.03 C ATOM 0 H VAL A 48 -19.406 -4.011 -23.353 1.00 44.21 H new ATOM 0 HA VAL A 48 -20.611 -2.976 -20.998 1.00 44.33 H new ATOM 0 HB VAL A 48 -20.628 -5.523 -22.538 1.00 22.42 H new ATOM 0 HG11 VAL A 48 -22.211 -6.503 -20.917 1.00 15.14 H new ATOM 0 HG12 VAL A 48 -20.592 -6.278 -20.214 1.00 15.14 H new ATOM 0 HG13 VAL A 48 -21.904 -5.146 -19.807 1.00 15.14 H new ATOM 0 HG21 VAL A 48 -23.033 -4.993 -22.692 1.00 71.03 H new ATOM 0 HG22 VAL A 48 -22.773 -3.551 -21.682 1.00 71.03 H new ATOM 0 HG23 VAL A 48 -22.017 -3.660 -23.289 1.00 71.03 H new ATOM 759 N VAL A 49 -19.013 -3.456 -19.225 1.00 44.02 N ATOM 760 CA VAL A 49 -18.179 -3.773 -18.078 1.00 42.11 C ATOM 761 C VAL A 49 -19.071 -4.098 -16.879 1.00 13.13 C ATOM 762 O VAL A 49 -19.640 -3.199 -16.262 1.00 2.44 O ATOM 763 CB VAL A 49 -17.206 -2.624 -17.805 1.00 65.33 C ATOM 764 CG1 VAL A 49 -16.154 -3.031 -16.771 1.00 11.31 C ATOM 765 CG2 VAL A 49 -16.545 -2.146 -19.100 1.00 31.11 C ATOM 0 H VAL A 49 -19.473 -2.547 -19.180 1.00 44.02 H new ATOM 0 HA VAL A 49 -17.571 -4.655 -18.280 1.00 42.11 H new ATOM 0 HB VAL A 49 -17.777 -1.792 -17.393 1.00 65.33 H new ATOM 0 HG11 VAL A 49 -15.475 -2.197 -16.595 1.00 11.31 H new ATOM 0 HG12 VAL A 49 -16.647 -3.301 -15.837 1.00 11.31 H new ATOM 0 HG13 VAL A 49 -15.590 -3.886 -17.143 1.00 11.31 H new ATOM 0 HG21 VAL A 49 -15.858 -1.329 -18.878 1.00 31.11 H new ATOM 0 HG22 VAL A 49 -15.994 -2.970 -19.553 1.00 31.11 H new ATOM 0 HG23 VAL A 49 -17.311 -1.798 -19.793 1.00 31.11 H new ATOM 775 N PRO A 50 -19.169 -5.420 -16.576 1.00 62.35 N ATOM 776 CA PRO A 50 -19.982 -5.875 -15.462 1.00 34.31 C ATOM 777 C PRO A 50 -19.294 -5.585 -14.126 1.00 74.45 C ATOM 778 O PRO A 50 -18.104 -5.278 -14.091 1.00 61.03 O ATOM 779 CB PRO A 50 -20.196 -7.360 -15.711 1.00 5.45 C ATOM 780 CG PRO A 50 -19.115 -7.777 -16.696 1.00 15.55 C ATOM 781 CD PRO A 50 -18.510 -6.513 -17.285 1.00 63.42 C ATOM 0 HA PRO A 50 -20.937 -5.354 -15.398 1.00 34.31 H new ATOM 0 HB2 PRO A 50 -20.119 -7.927 -14.783 1.00 5.45 H new ATOM 0 HB3 PRO A 50 -21.189 -7.549 -16.118 1.00 5.45 H new ATOM 0 HG2 PRO A 50 -18.349 -8.369 -16.195 1.00 15.55 H new ATOM 0 HG3 PRO A 50 -19.536 -8.402 -17.484 1.00 15.55 H new ATOM 0 HD2 PRO A 50 -17.430 -6.486 -17.139 1.00 63.42 H new ATOM 0 HD3 PRO A 50 -18.688 -6.452 -18.359 1.00 63.42 H new ATOM 789 N MET A 51 -20.073 -5.694 -13.060 1.00 53.22 N ATOM 790 CA MET A 51 -19.554 -5.447 -11.726 1.00 22.33 C ATOM 791 C MET A 51 -18.472 -6.466 -11.362 1.00 30.24 C ATOM 792 O MET A 51 -18.548 -7.627 -11.761 1.00 30.10 O ATOM 793 CB MET A 51 -20.695 -5.529 -10.710 1.00 72.32 C ATOM 794 CG MET A 51 -20.202 -5.188 -9.303 1.00 12.34 C ATOM 795 SD MET A 51 -21.344 -5.820 -8.086 1.00 34.35 S ATOM 796 CE MET A 51 -22.810 -4.903 -8.529 1.00 43.40 C ATOM 0 H MET A 51 -21.060 -5.950 -13.093 1.00 53.22 H new ATOM 0 HA MET A 51 -19.111 -4.451 -11.708 1.00 22.33 H new ATOM 0 HB2 MET A 51 -21.492 -4.842 -10.996 1.00 72.32 H new ATOM 0 HB3 MET A 51 -21.121 -6.532 -10.717 1.00 72.32 H new ATOM 0 HG2 MET A 51 -19.213 -5.616 -9.142 1.00 12.34 H new ATOM 0 HG3 MET A 51 -20.104 -4.108 -9.195 1.00 12.34 H new ATOM 0 HE1 MET A 51 -23.667 -5.302 -7.986 1.00 43.40 H new ATOM 0 HE2 MET A 51 -22.674 -3.853 -8.271 1.00 43.40 H new ATOM 0 HE3 MET A 51 -22.985 -4.993 -9.601 1.00 43.40 H new ATOM 806 N GLY A 52 -17.490 -5.995 -10.607 1.00 40.14 N ATOM 807 CA GLY A 52 -16.394 -6.850 -10.185 1.00 31.41 C ATOM 808 C GLY A 52 -15.319 -6.941 -11.270 1.00 54.01 C ATOM 809 O GLY A 52 -14.239 -7.479 -11.035 1.00 63.51 O ATOM 0 H GLY A 52 -17.431 -5.032 -10.277 1.00 40.14 H new ATOM 0 HA2 GLY A 52 -15.956 -6.459 -9.267 1.00 31.41 H new ATOM 0 HA3 GLY A 52 -16.772 -7.847 -9.959 1.00 31.41 H new ATOM 813 N THR A 53 -15.654 -6.406 -12.435 1.00 45.11 N ATOM 814 CA THR A 53 -14.730 -6.420 -13.557 1.00 55.53 C ATOM 815 C THR A 53 -13.782 -5.221 -13.482 1.00 73.23 C ATOM 816 O THR A 53 -14.222 -4.073 -13.531 1.00 24.44 O ATOM 817 CB THR A 53 -15.554 -6.463 -14.846 1.00 63.31 C ATOM 818 OG1 THR A 53 -16.367 -7.624 -14.699 1.00 60.23 O ATOM 819 CG2 THR A 53 -14.697 -6.762 -16.078 1.00 51.12 C ATOM 0 H THR A 53 -16.551 -5.960 -12.626 1.00 45.11 H new ATOM 0 HA THR A 53 -14.090 -7.302 -13.532 1.00 55.53 H new ATOM 0 HB THR A 53 -16.066 -5.510 -14.982 1.00 63.31 H new ATOM 0 HG1 THR A 53 -17.260 -7.361 -14.392 1.00 60.23 H new ATOM 0 HG21 THR A 53 -15.330 -6.781 -16.965 1.00 51.12 H new ATOM 0 HG22 THR A 53 -13.938 -5.987 -16.190 1.00 51.12 H new ATOM 0 HG23 THR A 53 -14.212 -7.730 -15.957 1.00 51.12 H new ATOM 827 N THR A 54 -12.499 -5.529 -13.366 1.00 20.34 N ATOM 828 CA THR A 54 -11.485 -4.492 -13.283 1.00 42.15 C ATOM 829 C THR A 54 -11.676 -3.469 -14.405 1.00 14.12 C ATOM 830 O THR A 54 -12.069 -3.825 -15.515 1.00 31.23 O ATOM 831 CB THR A 54 -10.113 -5.169 -13.307 1.00 20.04 C ATOM 832 OG1 THR A 54 -10.095 -5.957 -12.119 1.00 45.42 O ATOM 833 CG2 THR A 54 -8.966 -4.175 -13.112 1.00 70.14 C ATOM 0 H THR A 54 -12.138 -6.482 -13.328 1.00 20.34 H new ATOM 0 HA THR A 54 -11.570 -3.929 -12.353 1.00 42.15 H new ATOM 0 HB THR A 54 -9.983 -5.692 -14.254 1.00 20.04 H new ATOM 0 HG1 THR A 54 -9.415 -6.658 -12.202 1.00 45.42 H new ATOM 0 HG21 THR A 54 -8.015 -4.707 -13.137 1.00 70.14 H new ATOM 0 HG22 THR A 54 -8.988 -3.433 -13.910 1.00 70.14 H new ATOM 0 HG23 THR A 54 -9.077 -3.676 -12.149 1.00 70.14 H new ATOM 841 N LEU A 55 -11.390 -2.218 -14.076 1.00 52.30 N ATOM 842 CA LEU A 55 -11.526 -1.140 -15.042 1.00 31.44 C ATOM 843 C LEU A 55 -10.215 -0.985 -15.814 1.00 63.53 C ATOM 844 O LEU A 55 -9.147 -0.870 -15.215 1.00 22.21 O ATOM 845 CB LEU A 55 -11.988 0.144 -14.350 1.00 22.10 C ATOM 846 CG LEU A 55 -13.095 0.926 -15.059 1.00 14.34 C ATOM 847 CD1 LEU A 55 -13.068 0.671 -16.567 1.00 10.22 C ATOM 848 CD2 LEU A 55 -14.464 0.614 -14.449 1.00 65.22 C ATOM 0 H LEU A 55 -11.065 -1.926 -13.154 1.00 52.30 H new ATOM 0 HA LEU A 55 -12.300 -1.377 -15.772 1.00 31.44 H new ATOM 0 HB2 LEU A 55 -12.335 -0.111 -13.349 1.00 22.10 H new ATOM 0 HB3 LEU A 55 -11.126 0.800 -14.231 1.00 22.10 H new ATOM 0 HG LEU A 55 -12.911 1.990 -14.910 1.00 14.34 H new ATOM 0 HD11 LEU A 55 -13.865 1.239 -17.046 1.00 10.22 H new ATOM 0 HD12 LEU A 55 -12.106 0.984 -16.972 1.00 10.22 H new ATOM 0 HD13 LEU A 55 -13.214 -0.392 -16.759 1.00 10.22 H new ATOM 0 HD21 LEU A 55 -15.233 1.183 -14.971 1.00 65.22 H new ATOM 0 HD22 LEU A 55 -14.672 -0.452 -14.547 1.00 65.22 H new ATOM 0 HD23 LEU A 55 -14.463 0.888 -13.394 1.00 65.22 H new ATOM 860 N MET A 56 -10.338 -0.988 -17.133 1.00 54.24 N ATOM 861 CA MET A 56 -9.176 -0.849 -17.994 1.00 52.13 C ATOM 862 C MET A 56 -9.201 0.488 -18.737 1.00 41.35 C ATOM 863 O MET A 56 -10.269 1.048 -18.980 1.00 41.02 O ATOM 864 CB MET A 56 -9.151 -1.996 -19.007 1.00 1.50 C ATOM 865 CG MET A 56 -9.030 -3.348 -18.301 1.00 51.32 C ATOM 866 SD MET A 56 -7.310 -3.788 -18.115 1.00 13.44 S ATOM 867 CE MET A 56 -7.300 -4.277 -16.398 1.00 60.01 C ATOM 0 H MET A 56 -11.225 -1.085 -17.627 1.00 54.24 H new ATOM 0 HA MET A 56 -8.281 -0.881 -17.373 1.00 52.13 H new ATOM 0 HB2 MET A 56 -10.060 -1.975 -19.608 1.00 1.50 H new ATOM 0 HB3 MET A 56 -8.314 -1.863 -19.692 1.00 1.50 H new ATOM 0 HG2 MET A 56 -9.510 -3.301 -17.323 1.00 51.32 H new ATOM 0 HG3 MET A 56 -9.550 -4.115 -18.875 1.00 51.32 H new ATOM 0 HE1 MET A 56 -6.300 -4.140 -15.986 1.00 60.01 H new ATOM 0 HE2 MET A 56 -8.009 -3.664 -15.841 1.00 60.01 H new ATOM 0 HE3 MET A 56 -7.585 -5.326 -16.317 1.00 60.01 H new ATOM 877 N PRO A 57 -7.980 0.974 -19.087 1.00 3.30 N ATOM 878 CA PRO A 57 -7.851 2.235 -19.797 1.00 54.25 C ATOM 879 C PRO A 57 -8.248 2.080 -21.267 1.00 34.51 C ATOM 880 O PRO A 57 -8.424 3.070 -21.974 1.00 51.25 O ATOM 881 CB PRO A 57 -6.399 2.644 -19.615 1.00 22.33 C ATOM 882 CG PRO A 57 -5.658 1.380 -19.209 1.00 72.32 C ATOM 883 CD PRO A 57 -6.694 0.339 -18.816 1.00 64.30 C ATOM 0 HA PRO A 57 -8.519 3.005 -19.410 1.00 54.25 H new ATOM 0 HB2 PRO A 57 -5.991 3.057 -20.538 1.00 22.33 H new ATOM 0 HB3 PRO A 57 -6.303 3.415 -18.851 1.00 22.33 H new ATOM 0 HG2 PRO A 57 -5.044 1.016 -20.033 1.00 72.32 H new ATOM 0 HG3 PRO A 57 -4.985 1.583 -18.376 1.00 72.32 H new ATOM 0 HD2 PRO A 57 -6.575 -0.577 -19.395 1.00 64.30 H new ATOM 0 HD3 PRO A 57 -6.601 0.065 -17.765 1.00 64.30 H new ATOM 891 N ASP A 58 -8.378 0.828 -21.682 1.00 53.12 N ATOM 892 CA ASP A 58 -8.751 0.530 -23.054 1.00 74.15 C ATOM 893 C ASP A 58 -10.225 0.121 -23.100 1.00 60.53 C ATOM 894 O ASP A 58 -10.704 -0.375 -24.119 1.00 62.21 O ATOM 895 CB ASP A 58 -7.922 -0.628 -23.612 1.00 25.33 C ATOM 896 CG ASP A 58 -6.600 -0.221 -24.266 1.00 40.31 C ATOM 897 OD1 ASP A 58 -6.442 -0.307 -25.493 1.00 4.41 O ATOM 898 OD2 ASP A 58 -5.696 0.206 -23.450 1.00 55.32 O ATOM 0 H ASP A 58 -8.232 0.009 -21.092 1.00 53.12 H new ATOM 0 HA ASP A 58 -8.572 1.423 -23.653 1.00 74.15 H new ATOM 0 HB2 ASP A 58 -7.710 -1.326 -22.802 1.00 25.33 H new ATOM 0 HB3 ASP A 58 -8.523 -1.165 -24.346 1.00 25.33 H new ATOM 904 N MET A 59 -10.903 0.343 -21.984 1.00 2.11 N ATOM 905 CA MET A 59 -12.312 0.004 -21.884 1.00 31.42 C ATOM 906 C MET A 59 -13.158 1.248 -21.605 1.00 45.15 C ATOM 907 O MET A 59 -14.351 1.143 -21.326 1.00 62.41 O ATOM 908 CB MET A 59 -12.514 -1.013 -20.758 1.00 43.12 C ATOM 909 CG MET A 59 -12.148 -2.424 -21.222 1.00 63.31 C ATOM 910 SD MET A 59 -12.845 -3.633 -20.109 1.00 1.22 S ATOM 911 CE MET A 59 -12.464 -2.867 -18.542 1.00 70.20 C ATOM 0 H MET A 59 -10.502 0.754 -21.141 1.00 2.11 H new ATOM 0 HA MET A 59 -12.631 -0.424 -22.834 1.00 31.42 H new ATOM 0 HB2 MET A 59 -11.900 -0.738 -19.900 1.00 43.12 H new ATOM 0 HB3 MET A 59 -13.552 -0.993 -20.427 1.00 43.12 H new ATOM 0 HG2 MET A 59 -12.520 -2.591 -22.233 1.00 63.31 H new ATOM 0 HG3 MET A 59 -11.064 -2.534 -21.259 1.00 63.31 H new ATOM 0 HE1 MET A 59 -11.816 -3.525 -17.963 1.00 70.20 H new ATOM 0 HE2 MET A 59 -11.956 -1.918 -18.715 1.00 70.20 H new ATOM 0 HE3 MET A 59 -13.387 -2.689 -17.990 1.00 70.20 H new ATOM 921 N VAL A 60 -12.506 2.398 -21.691 1.00 42.45 N ATOM 922 CA VAL A 60 -13.183 3.662 -21.452 1.00 63.24 C ATOM 923 C VAL A 60 -13.033 4.557 -22.684 1.00 71.33 C ATOM 924 O VAL A 60 -11.946 4.665 -23.249 1.00 22.00 O ATOM 925 CB VAL A 60 -12.646 4.309 -20.174 1.00 40.43 C ATOM 926 CG1 VAL A 60 -13.319 5.659 -19.919 1.00 51.44 C ATOM 927 CG2 VAL A 60 -12.816 3.376 -18.974 1.00 11.32 C ATOM 0 H VAL A 60 -11.516 2.481 -21.923 1.00 42.45 H new ATOM 0 HA VAL A 60 -14.250 3.501 -21.296 1.00 63.24 H new ATOM 0 HB VAL A 60 -11.579 4.487 -20.311 1.00 40.43 H new ATOM 0 HG11 VAL A 60 -12.919 6.098 -19.005 1.00 51.44 H new ATOM 0 HG12 VAL A 60 -13.124 6.327 -20.758 1.00 51.44 H new ATOM 0 HG13 VAL A 60 -14.394 5.515 -19.813 1.00 51.44 H new ATOM 0 HG21 VAL A 60 -12.426 3.860 -18.079 1.00 11.32 H new ATOM 0 HG22 VAL A 60 -13.874 3.152 -18.834 1.00 11.32 H new ATOM 0 HG23 VAL A 60 -12.270 2.450 -19.153 1.00 11.32 H new ATOM 937 N LYS A 61 -14.141 5.175 -23.065 1.00 13.20 N ATOM 938 CA LYS A 61 -14.147 6.057 -24.220 1.00 11.23 C ATOM 939 C LYS A 61 -13.815 7.481 -23.770 1.00 4.31 C ATOM 940 O LYS A 61 -14.343 7.959 -22.767 1.00 73.31 O ATOM 941 CB LYS A 61 -15.474 5.944 -24.973 1.00 42.34 C ATOM 942 CG LYS A 61 -15.331 5.045 -26.203 1.00 41.43 C ATOM 943 CD LYS A 61 -16.496 4.058 -26.299 1.00 41.32 C ATOM 944 CE LYS A 61 -17.729 4.724 -26.913 1.00 72.34 C ATOM 945 NZ LYS A 61 -17.573 4.852 -28.380 1.00 22.05 N ATOM 0 H LYS A 61 -15.041 5.083 -22.594 1.00 13.20 H new ATOM 0 HA LYS A 61 -13.377 5.759 -24.931 1.00 11.23 H new ATOM 0 HB2 LYS A 61 -16.239 5.540 -24.310 1.00 42.34 H new ATOM 0 HB3 LYS A 61 -15.808 6.935 -25.279 1.00 42.34 H new ATOM 0 HG2 LYS A 61 -15.294 5.658 -27.104 1.00 41.43 H new ATOM 0 HG3 LYS A 61 -14.390 4.498 -26.151 1.00 41.43 H new ATOM 0 HD2 LYS A 61 -16.202 3.201 -26.904 1.00 41.32 H new ATOM 0 HD3 LYS A 61 -16.739 3.679 -25.306 1.00 41.32 H new ATOM 0 HE2 LYS A 61 -18.618 4.136 -26.686 1.00 72.34 H new ATOM 0 HE3 LYS A 61 -17.876 5.709 -26.470 1.00 72.34 H new ATOM 0 HZ1 LYS A 61 -18.486 5.114 -28.805 1.00 22.05 H new ATOM 0 HZ2 LYS A 61 -16.869 5.588 -28.591 1.00 22.05 H new ATOM 0 HZ3 LYS A 61 -17.255 3.944 -28.776 1.00 22.05 H new ATOM 958 N GLY A 62 -12.940 8.120 -24.533 1.00 73.14 N ATOM 959 CA GLY A 62 -12.531 9.480 -24.226 1.00 60.20 C ATOM 960 C GLY A 62 -11.558 9.506 -23.046 1.00 22.04 C ATOM 961 O GLY A 62 -11.349 10.551 -22.431 1.00 54.14 O ATOM 0 H GLY A 62 -12.503 7.721 -25.364 1.00 73.14 H new ATOM 0 HA2 GLY A 62 -12.060 9.928 -25.101 1.00 60.20 H new ATOM 0 HA3 GLY A 62 -13.408 10.083 -23.992 1.00 60.20 H new ATOM 965 N TYR A 63 -10.988 8.344 -22.764 1.00 20.51 N ATOM 966 CA TYR A 63 -10.042 8.220 -21.668 1.00 62.00 C ATOM 967 C TYR A 63 -8.617 8.523 -22.137 1.00 32.22 C ATOM 968 O TYR A 63 -8.382 8.728 -23.327 1.00 23.54 O ATOM 969 CB TYR A 63 -10.116 6.762 -21.209 1.00 41.33 C ATOM 970 CG TYR A 63 -9.109 6.402 -20.115 1.00 41.32 C ATOM 971 CD1 TYR A 63 -9.445 6.566 -18.787 1.00 34.22 C ATOM 972 CD2 TYR A 63 -7.864 5.914 -20.457 1.00 1.14 C ATOM 973 CE1 TYR A 63 -8.498 6.227 -17.757 1.00 24.00 C ATOM 974 CE2 TYR A 63 -6.916 5.575 -19.427 1.00 11.32 C ATOM 975 CZ TYR A 63 -7.280 5.749 -18.128 1.00 23.52 C ATOM 976 OH TYR A 63 -6.385 5.429 -17.155 1.00 64.53 O ATOM 0 H TYR A 63 -11.163 7.479 -23.276 1.00 20.51 H new ATOM 0 HA TYR A 63 -10.285 8.922 -20.870 1.00 62.00 H new ATOM 0 HB2 TYR A 63 -11.122 6.558 -20.844 1.00 41.33 H new ATOM 0 HB3 TYR A 63 -9.951 6.112 -22.069 1.00 41.33 H new ATOM 0 HD1 TYR A 63 -10.419 6.949 -18.520 1.00 34.22 H new ATOM 0 HD2 TYR A 63 -7.601 5.786 -21.497 1.00 1.14 H new ATOM 0 HE1 TYR A 63 -8.749 6.349 -16.714 1.00 24.00 H new ATOM 0 HE2 TYR A 63 -5.939 5.191 -19.680 1.00 11.32 H new ATOM 0 HH TYR A 63 -6.491 6.043 -16.399 1.00 64.53 H new ATOM 986 N ALA A 64 -7.704 8.542 -21.177 1.00 70.31 N ATOM 987 CA ALA A 64 -6.309 8.816 -21.477 1.00 1.23 C ATOM 988 C ALA A 64 -5.538 9.004 -20.168 1.00 52.04 C ATOM 989 O ALA A 64 -6.135 9.257 -19.123 1.00 41.21 O ATOM 990 CB ALA A 64 -6.214 10.040 -22.390 1.00 60.22 C ATOM 0 H ALA A 64 -7.903 8.372 -20.191 1.00 70.31 H new ATOM 0 HA ALA A 64 -5.859 7.977 -22.008 1.00 1.23 H new ATOM 0 HB1 ALA A 64 -5.168 10.246 -22.615 1.00 60.22 H new ATOM 0 HB2 ALA A 64 -6.753 9.845 -23.317 1.00 60.22 H new ATOM 0 HB3 ALA A 64 -6.654 10.903 -21.889 1.00 60.22 H new ATOM 996 N PRO A 65 -4.189 8.869 -20.272 1.00 1.32 N ATOM 997 CA PRO A 65 -3.330 9.021 -19.110 1.00 13.44 C ATOM 998 C PRO A 65 -3.188 10.495 -18.722 1.00 32.42 C ATOM 999 O PRO A 65 -3.989 11.330 -19.139 1.00 32.15 O ATOM 1000 CB PRO A 65 -2.010 8.382 -19.509 1.00 54.31 C ATOM 1001 CG PRO A 65 -2.024 8.313 -21.028 1.00 23.24 C ATOM 1002 CD PRO A 65 -3.448 8.570 -21.493 1.00 65.44 C ATOM 0 HA PRO A 65 -3.737 8.540 -18.221 1.00 13.44 H new ATOM 0 HB2 PRO A 65 -1.166 8.973 -19.152 1.00 54.31 H new ATOM 0 HB3 PRO A 65 -1.910 7.388 -19.074 1.00 54.31 H new ATOM 0 HG2 PRO A 65 -1.345 9.054 -21.450 1.00 23.24 H new ATOM 0 HG3 PRO A 65 -1.682 7.336 -21.369 1.00 23.24 H new ATOM 0 HD2 PRO A 65 -3.491 9.402 -22.196 1.00 65.44 H new ATOM 0 HD3 PRO A 65 -3.861 7.700 -22.004 1.00 65.44 H new