USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 869 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 19 GLN : amide:sc= 0.178 X(o=0.056,f=-0.1) USER MOD Set 1.2: A 70 GLN :FLIP amide:sc= -0.121 X(o=-0.1,f=0.056) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.231 X(o=-0.48,f=-0.41) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.246 K(o=-0.48,f=-4!) USER MOD Set 2.3: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 18 SER OG : rot -140:sc= 0.296 USER MOD Set 3.2: A 71 THR OG1 : rot -104:sc= -0.565 USER MOD Set 3.3: A 74 ASN : amide:sc= -0.815 X(o=-1.1,f=-1.4) USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 74:sc= 1.11 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 35 GLN : amide:sc= -0.303 X(o=-0.3,f=0.016) USER MOD Single : A 36 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.34) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -30:sc= -0.291 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 43 SER OG : rot 83:sc= 0.992 USER MOD Single : A 46 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 48 MET CE :methyl -129:sc= -0.251 (180deg=-3.34!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.191 (180deg=-0.799) USER MOD Single : A 51 GLN :FLIP amide:sc=-0.00999 F(o=-0.96,f=-0.01) USER MOD Single : A 52 THR OG1 : rot 143:sc= -0.468 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.664 K(o=0.66,f=-0.97) USER MOD Single : A 63 MET CE :methyl -174:sc= -0.639 (180deg=-0.682) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.28 (180deg=0.182) USER MOD Single : A 76 GLN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -125:sc= -0.809 (180deg=-3.32!) USER MOD Single : A 95 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.2) USER MOD Single : A 96 SER OG : rot -20:sc= 0.173 USER MOD Single : A 97 THR OG1 : rot -140:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.78) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0421) USER MOD Single : A 101 SER OG : rot -109:sc= 0.657 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.25) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -163:sc= -0.169 (180deg=-0.639) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.038 2.183 21.740 1.00 34.34 N ATOM 2 CA MET A 1 0.958 2.679 20.684 1.00 4.50 C ATOM 3 C MET A 1 0.159 3.347 19.539 1.00 32.44 C ATOM 4 O MET A 1 -0.043 2.755 18.478 1.00 4.51 O ATOM 5 CB MET A 1 1.887 1.525 20.184 1.00 21.30 C ATOM 6 CG MET A 1 1.167 0.253 19.692 1.00 44.23 C ATOM 7 SD MET A 1 2.311 -0.979 19.030 1.00 0.23 S ATOM 8 CE MET A 1 1.186 -2.235 18.407 1.00 43.33 C ATOM 0 H1 MET A 1 0.590 1.738 22.500 1.00 34.34 H new ATOM 0 H2 MET A 1 -0.506 2.980 22.128 1.00 34.34 H new ATOM 0 H3 MET A 1 -0.615 1.484 21.331 1.00 34.34 H new ATOM 0 HA MET A 1 1.608 3.448 21.103 1.00 4.50 H new ATOM 0 HB2 MET A 1 2.506 1.907 19.372 1.00 21.30 H new ATOM 0 HB3 MET A 1 2.561 1.248 20.995 1.00 21.30 H new ATOM 0 HG2 MET A 1 0.605 -0.184 20.517 1.00 44.23 H new ATOM 0 HG3 MET A 1 0.444 0.523 18.922 1.00 44.23 H new ATOM 0 HE1 MET A 1 1.693 -3.200 18.386 1.00 43.33 H new ATOM 0 HE2 MET A 1 0.314 -2.297 19.058 1.00 43.33 H new ATOM 0 HE3 MET A 1 0.868 -1.971 17.398 1.00 43.33 H new ATOM 20 N THR A 2 -0.298 4.600 19.783 1.00 41.13 N ATOM 21 CA THR A 2 -1.219 5.327 18.878 1.00 10.42 C ATOM 22 C THR A 2 -0.673 5.419 17.433 1.00 14.40 C ATOM 23 O THR A 2 -1.269 4.858 16.513 1.00 34.15 O ATOM 24 CB THR A 2 -1.532 6.765 19.422 1.00 34.53 C ATOM 25 OG1 THR A 2 -2.031 6.671 20.769 1.00 53.04 O ATOM 26 CG2 THR A 2 -2.563 7.518 18.544 1.00 11.10 C ATOM 0 H THR A 2 -0.038 5.134 20.612 1.00 41.13 H new ATOM 0 HA THR A 2 -2.142 4.749 18.850 1.00 10.42 H new ATOM 0 HB THR A 2 -0.602 7.333 19.396 1.00 34.53 H new ATOM 0 HG1 THR A 2 -2.225 7.569 21.109 1.00 53.04 H new ATOM 0 HG21 THR A 2 -2.745 8.507 18.964 1.00 11.10 H new ATOM 0 HG22 THR A 2 -2.173 7.619 17.531 1.00 11.10 H new ATOM 0 HG23 THR A 2 -3.498 6.958 18.519 1.00 11.10 H new ATOM 34 N SER A 3 0.493 6.072 17.276 1.00 44.34 N ATOM 35 CA SER A 3 1.101 6.352 15.958 1.00 10.43 C ATOM 36 C SER A 3 1.490 5.060 15.204 1.00 73.42 C ATOM 37 O SER A 3 1.495 5.041 13.972 1.00 52.23 O ATOM 38 CB SER A 3 2.335 7.261 16.153 1.00 4.34 C ATOM 39 OG SER A 3 1.993 8.416 16.913 1.00 74.04 O ATOM 0 H SER A 3 1.043 6.422 18.060 1.00 44.34 H new ATOM 0 HA SER A 3 0.359 6.860 15.342 1.00 10.43 H new ATOM 0 HB2 SER A 3 3.125 6.707 16.660 1.00 4.34 H new ATOM 0 HB3 SER A 3 2.729 7.562 15.182 1.00 4.34 H new ATOM 0 HG SER A 3 2.787 8.979 17.028 1.00 74.04 H new ATOM 45 N THR A 4 1.804 3.992 15.964 1.00 12.02 N ATOM 46 CA THR A 4 2.203 2.688 15.406 1.00 20.31 C ATOM 47 C THR A 4 0.978 1.887 14.898 1.00 51.23 C ATOM 48 O THR A 4 1.063 1.202 13.879 1.00 22.14 O ATOM 49 CB THR A 4 2.999 1.860 16.464 1.00 11.15 C ATOM 50 OG1 THR A 4 4.050 2.678 17.003 1.00 4.21 O ATOM 51 CG2 THR A 4 3.613 0.572 15.873 1.00 33.11 C ATOM 0 H THR A 4 1.787 4.011 16.984 1.00 12.02 H new ATOM 0 HA THR A 4 2.851 2.879 14.551 1.00 20.31 H new ATOM 0 HB THR A 4 2.296 1.559 17.241 1.00 11.15 H new ATOM 0 HG1 THR A 4 4.554 2.166 17.670 1.00 4.21 H new ATOM 0 HG21 THR A 4 4.155 0.036 16.653 1.00 33.11 H new ATOM 0 HG22 THR A 4 2.819 -0.063 15.481 1.00 33.11 H new ATOM 0 HG23 THR A 4 4.300 0.833 15.068 1.00 33.11 H new ATOM 59 N VAL A 5 -0.160 1.991 15.608 1.00 73.44 N ATOM 60 CA VAL A 5 -1.430 1.355 15.188 1.00 71.32 C ATOM 61 C VAL A 5 -2.006 2.082 13.957 1.00 71.42 C ATOM 62 O VAL A 5 -2.514 1.435 13.040 1.00 73.13 O ATOM 63 CB VAL A 5 -2.470 1.314 16.373 1.00 42.23 C ATOM 64 CG1 VAL A 5 -3.893 0.913 15.902 1.00 70.34 C ATOM 65 CG2 VAL A 5 -1.970 0.362 17.488 1.00 43.34 C ATOM 0 H VAL A 5 -0.230 2.513 16.482 1.00 73.44 H new ATOM 0 HA VAL A 5 -1.223 0.322 14.909 1.00 71.32 H new ATOM 0 HB VAL A 5 -2.548 2.325 16.773 1.00 42.23 H new ATOM 0 HG11 VAL A 5 -4.569 0.900 16.757 1.00 70.34 H new ATOM 0 HG12 VAL A 5 -4.250 1.635 15.168 1.00 70.34 H new ATOM 0 HG13 VAL A 5 -3.861 -0.078 15.450 1.00 70.34 H new ATOM 0 HG21 VAL A 5 -2.696 0.341 18.301 1.00 43.34 H new ATOM 0 HG22 VAL A 5 -1.851 -0.643 17.082 1.00 43.34 H new ATOM 0 HG23 VAL A 5 -1.011 0.717 17.866 1.00 43.34 H new ATOM 75 N GLU A 6 -1.879 3.424 13.943 1.00 72.44 N ATOM 76 CA GLU A 6 -2.249 4.257 12.780 1.00 24.01 C ATOM 77 C GLU A 6 -1.403 3.861 11.553 1.00 33.41 C ATOM 78 O GLU A 6 -1.928 3.697 10.453 1.00 24.33 O ATOM 79 CB GLU A 6 -2.034 5.755 13.110 1.00 42.04 C ATOM 80 CG GLU A 6 -2.934 6.307 14.231 1.00 43.05 C ATOM 81 CD GLU A 6 -4.437 6.227 13.912 1.00 52.42 C ATOM 82 OE1 GLU A 6 -4.907 7.000 13.054 1.00 62.22 O ATOM 83 OE2 GLU A 6 -5.159 5.412 14.534 1.00 74.40 O ATOM 0 H GLU A 6 -1.519 3.959 14.733 1.00 72.44 H new ATOM 0 HA GLU A 6 -3.302 4.092 12.550 1.00 24.01 H new ATOM 0 HB2 GLU A 6 -0.992 5.904 13.394 1.00 42.04 H new ATOM 0 HB3 GLU A 6 -2.205 6.339 12.206 1.00 42.04 H new ATOM 0 HG2 GLU A 6 -2.736 5.754 15.149 1.00 43.05 H new ATOM 0 HG3 GLU A 6 -2.667 7.346 14.421 1.00 43.05 H new ATOM 90 N PHE A 7 -0.087 3.704 11.799 1.00 71.00 N ATOM 91 CA PHE A 7 0.917 3.261 10.812 1.00 11.30 C ATOM 92 C PHE A 7 0.498 1.934 10.131 1.00 64.00 C ATOM 93 O PHE A 7 0.313 1.899 8.903 1.00 60.54 O ATOM 94 CB PHE A 7 2.278 3.127 11.560 1.00 51.22 C ATOM 95 CG PHE A 7 3.440 2.530 10.786 1.00 35.22 C ATOM 96 CD1 PHE A 7 4.181 3.307 9.902 1.00 63.41 C ATOM 97 CD2 PHE A 7 3.816 1.196 10.975 1.00 21.11 C ATOM 98 CE1 PHE A 7 5.262 2.774 9.237 1.00 73.20 C ATOM 99 CE2 PHE A 7 4.890 0.665 10.302 1.00 62.25 C ATOM 100 CZ PHE A 7 5.610 1.450 9.434 1.00 45.35 C ATOM 0 H PHE A 7 0.318 3.887 12.717 1.00 71.00 H new ATOM 0 HA PHE A 7 1.005 3.990 10.007 1.00 11.30 H new ATOM 0 HB2 PHE A 7 2.574 4.119 11.902 1.00 51.22 H new ATOM 0 HB3 PHE A 7 2.116 2.518 12.449 1.00 51.22 H new ATOM 0 HD1 PHE A 7 3.906 4.338 9.736 1.00 63.41 H new ATOM 0 HD2 PHE A 7 3.255 0.576 11.658 1.00 21.11 H new ATOM 0 HE1 PHE A 7 5.838 3.389 8.562 1.00 73.20 H new ATOM 0 HE2 PHE A 7 5.168 -0.367 10.455 1.00 62.25 H new ATOM 0 HZ PHE A 7 6.452 1.031 8.903 1.00 45.35 H new ATOM 110 N ILE A 8 0.300 0.875 10.953 1.00 74.14 N ATOM 111 CA ILE A 8 -0.077 -0.470 10.466 1.00 14.52 C ATOM 112 C ILE A 8 -1.427 -0.420 9.734 1.00 41.41 C ATOM 113 O ILE A 8 -1.544 -0.952 8.640 1.00 50.11 O ATOM 114 CB ILE A 8 -0.163 -1.531 11.632 1.00 23.31 C ATOM 115 CG1 ILE A 8 1.186 -1.618 12.412 1.00 42.15 C ATOM 116 CG2 ILE A 8 -0.575 -2.933 11.094 1.00 72.11 C ATOM 117 CD1 ILE A 8 1.143 -2.520 13.634 1.00 11.33 C ATOM 0 H ILE A 8 0.397 0.931 11.967 1.00 74.14 H new ATOM 0 HA ILE A 8 0.710 -0.783 9.780 1.00 14.52 H new ATOM 0 HB ILE A 8 -0.936 -1.195 12.323 1.00 23.31 H new ATOM 0 HG12 ILE A 8 1.961 -1.978 11.736 1.00 42.15 H new ATOM 0 HG13 ILE A 8 1.477 -0.615 12.725 1.00 42.15 H new ATOM 0 HG21 ILE A 8 -0.625 -3.640 11.922 1.00 72.11 H new ATOM 0 HG22 ILE A 8 -1.552 -2.866 10.614 1.00 72.11 H new ATOM 0 HG23 ILE A 8 0.163 -3.275 10.368 1.00 72.11 H new ATOM 0 HD11 ILE A 8 2.120 -2.524 14.118 1.00 11.33 H new ATOM 0 HD12 ILE A 8 0.393 -2.150 14.333 1.00 11.33 H new ATOM 0 HD13 ILE A 8 0.885 -3.534 13.329 1.00 11.33 H new ATOM 129 N ASN A 9 -2.415 0.275 10.343 1.00 15.22 N ATOM 130 CA ASN A 9 -3.801 0.352 9.825 1.00 52.40 C ATOM 131 C ASN A 9 -3.854 1.081 8.469 1.00 31.23 C ATOM 132 O ASN A 9 -4.727 0.803 7.639 1.00 65.55 O ATOM 133 CB ASN A 9 -4.731 1.061 10.845 1.00 44.34 C ATOM 134 CG ASN A 9 -6.227 1.009 10.483 1.00 35.40 C ATOM 135 OD1 ASN A 9 -6.966 1.969 10.720 1.00 13.20 O ATOM 136 ND2 ASN A 9 -6.701 -0.122 9.958 1.00 14.44 N ATOM 0 H ASN A 9 -2.274 0.798 11.207 1.00 15.22 H new ATOM 0 HA ASN A 9 -4.152 -0.669 9.678 1.00 52.40 H new ATOM 0 HB2 ASN A 9 -4.590 0.605 11.825 1.00 44.34 H new ATOM 0 HB3 ASN A 9 -4.427 2.104 10.932 1.00 44.34 H new ATOM 0 HD21 ASN A 9 -7.694 -0.207 9.743 1.00 14.44 H new ATOM 0 HD22 ASN A 9 -6.070 -0.901 9.771 1.00 14.44 H new ATOM 143 N ARG A 10 -2.915 2.011 8.263 1.00 61.51 N ATOM 144 CA ARG A 10 -2.780 2.745 6.997 1.00 24.53 C ATOM 145 C ARG A 10 -2.074 1.888 5.928 1.00 4.24 C ATOM 146 O ARG A 10 -2.376 2.017 4.740 1.00 63.23 O ATOM 147 CB ARG A 10 -2.063 4.102 7.224 1.00 62.45 C ATOM 148 CG ARG A 10 -2.981 5.200 7.815 1.00 70.40 C ATOM 149 CD ARG A 10 -2.281 6.564 7.962 1.00 42.33 C ATOM 150 NE ARG A 10 -3.230 7.609 8.406 1.00 50.12 N ATOM 151 CZ ARG A 10 -3.288 8.146 9.637 1.00 5.23 C ATOM 152 NH1 ARG A 10 -2.439 7.779 10.587 1.00 42.43 N ATOM 153 NH2 ARG A 10 -4.213 9.054 9.911 1.00 34.04 N ATOM 0 H ARG A 10 -2.227 2.277 8.968 1.00 61.51 H new ATOM 0 HA ARG A 10 -3.779 2.963 6.618 1.00 24.53 H new ATOM 0 HB2 ARG A 10 -1.217 3.948 7.894 1.00 62.45 H new ATOM 0 HB3 ARG A 10 -1.658 4.452 6.275 1.00 62.45 H new ATOM 0 HG2 ARG A 10 -3.856 5.315 7.176 1.00 70.40 H new ATOM 0 HG3 ARG A 10 -3.340 4.877 8.792 1.00 70.40 H new ATOM 0 HD2 ARG A 10 -1.465 6.481 8.680 1.00 42.33 H new ATOM 0 HD3 ARG A 10 -1.838 6.853 7.009 1.00 42.33 H new ATOM 0 HE ARG A 10 -3.899 7.952 7.717 1.00 50.12 H new ATOM 0 HH11 ARG A 10 -1.725 7.077 10.390 1.00 42.43 H new ATOM 0 HH12 ARG A 10 -2.499 8.198 11.515 1.00 42.43 H new ATOM 0 HH21 ARG A 10 -4.875 9.341 9.190 1.00 34.04 H new ATOM 0 HH22 ARG A 10 -4.263 9.466 10.843 1.00 34.04 H new ATOM 167 N TRP A 11 -1.144 1.006 6.350 1.00 23.12 N ATOM 168 CA TRP A 11 -0.561 -0.018 5.443 1.00 14.21 C ATOM 169 C TRP A 11 -1.596 -1.111 5.105 1.00 0.41 C ATOM 170 O TRP A 11 -1.553 -1.692 4.011 1.00 20.34 O ATOM 171 CB TRP A 11 0.730 -0.643 6.029 1.00 72.53 C ATOM 172 CG TRP A 11 1.929 0.281 5.971 1.00 41.25 C ATOM 173 CD1 TRP A 11 2.564 0.882 7.019 1.00 42.40 C ATOM 174 CD2 TRP A 11 2.622 0.723 4.785 1.00 44.35 C ATOM 175 NE1 TRP A 11 3.619 1.631 6.564 1.00 72.10 N ATOM 176 CE2 TRP A 11 3.675 1.553 5.202 1.00 75.30 C ATOM 177 CE3 TRP A 11 2.463 0.480 3.415 1.00 2.53 C ATOM 178 CZ2 TRP A 11 4.566 2.144 4.308 1.00 43.43 C ATOM 179 CZ3 TRP A 11 3.340 1.076 2.525 1.00 74.43 C ATOM 180 CH2 TRP A 11 4.383 1.897 2.976 1.00 3.01 C ATOM 0 H TRP A 11 -0.780 0.978 7.303 1.00 23.12 H new ATOM 0 HA TRP A 11 -0.285 0.490 4.519 1.00 14.21 H new ATOM 0 HB2 TRP A 11 0.549 -0.926 7.066 1.00 72.53 H new ATOM 0 HB3 TRP A 11 0.960 -1.559 5.485 1.00 72.53 H new ATOM 0 HD1 TRP A 11 2.277 0.782 8.056 1.00 42.40 H new ATOM 0 HE1 TRP A 11 4.261 2.163 7.151 1.00 72.10 H new ATOM 0 HE3 TRP A 11 1.670 -0.161 3.059 1.00 2.53 H new ATOM 0 HZ2 TRP A 11 5.372 2.774 4.655 1.00 43.43 H new ATOM 0 HZ3 TRP A 11 3.219 0.906 1.465 1.00 74.43 H new ATOM 0 HH2 TRP A 11 5.055 2.343 2.257 1.00 3.01 H new ATOM 191 N GLN A 12 -2.533 -1.371 6.052 1.00 4.52 N ATOM 192 CA GLN A 12 -3.695 -2.235 5.805 1.00 2.41 C ATOM 193 C GLN A 12 -4.559 -1.582 4.725 1.00 65.14 C ATOM 194 O GLN A 12 -4.928 -2.225 3.762 1.00 34.13 O ATOM 195 CB GLN A 12 -4.563 -2.465 7.084 1.00 12.03 C ATOM 196 CG GLN A 12 -3.827 -3.091 8.277 1.00 63.12 C ATOM 197 CD GLN A 12 -4.759 -3.519 9.409 1.00 52.13 C ATOM 198 OE1 GLN A 12 -5.063 -2.745 10.313 1.00 4.55 O ATOM 199 NE2 GLN A 12 -5.236 -4.755 9.360 1.00 13.02 N ATOM 0 H GLN A 12 -2.497 -0.987 6.996 1.00 4.52 H new ATOM 0 HA GLN A 12 -3.325 -3.211 5.490 1.00 2.41 H new ATOM 0 HB2 GLN A 12 -4.978 -1.507 7.397 1.00 12.03 H new ATOM 0 HB3 GLN A 12 -5.404 -3.106 6.821 1.00 12.03 H new ATOM 0 HG2 GLN A 12 -3.264 -3.958 7.932 1.00 63.12 H new ATOM 0 HG3 GLN A 12 -3.103 -2.374 8.664 1.00 63.12 H new ATOM 0 HE21 GLN A 12 -4.966 -5.376 8.597 1.00 13.02 H new ATOM 0 HE22 GLN A 12 -5.873 -5.085 10.085 1.00 13.02 H new ATOM 208 N ARG A 13 -4.800 -0.268 4.900 1.00 63.13 N ATOM 209 CA ARG A 13 -5.619 0.546 3.994 1.00 42.55 C ATOM 210 C ARG A 13 -5.099 0.474 2.542 1.00 73.11 C ATOM 211 O ARG A 13 -5.880 0.198 1.640 1.00 3.11 O ATOM 212 CB ARG A 13 -5.655 2.017 4.490 1.00 11.34 C ATOM 213 CG ARG A 13 -6.519 2.977 3.635 1.00 12.40 C ATOM 214 CD ARG A 13 -8.037 2.712 3.760 1.00 74.14 C ATOM 215 NE ARG A 13 -8.838 3.528 2.820 1.00 42.41 N ATOM 216 CZ ARG A 13 -8.944 4.874 2.827 1.00 55.41 C ATOM 217 NH1 ARG A 13 -8.322 5.618 3.734 1.00 24.43 N ATOM 218 NH2 ARG A 13 -9.685 5.475 1.905 1.00 74.41 N ATOM 0 H ARG A 13 -4.424 0.261 5.687 1.00 63.13 H new ATOM 0 HA ARG A 13 -6.632 0.144 3.998 1.00 42.55 H new ATOM 0 HB2 ARG A 13 -6.030 2.030 5.514 1.00 11.34 H new ATOM 0 HB3 ARG A 13 -4.635 2.400 4.519 1.00 11.34 H new ATOM 0 HG2 ARG A 13 -6.311 4.004 3.934 1.00 12.40 H new ATOM 0 HG3 ARG A 13 -6.226 2.884 2.589 1.00 12.40 H new ATOM 0 HD2 ARG A 13 -8.234 1.656 3.577 1.00 74.14 H new ATOM 0 HD3 ARG A 13 -8.356 2.923 4.781 1.00 74.14 H new ATOM 0 HE ARG A 13 -9.358 3.027 2.100 1.00 42.41 H new ATOM 0 HH11 ARG A 13 -7.746 5.174 4.450 1.00 24.43 H new ATOM 0 HH12 ARG A 13 -8.420 6.633 3.715 1.00 24.43 H new ATOM 0 HH21 ARG A 13 -10.169 4.921 1.199 1.00 74.41 H new ATOM 0 HH22 ARG A 13 -9.771 6.491 1.903 1.00 74.41 H new ATOM 232 N ILE A 14 -3.775 0.684 2.341 1.00 40.35 N ATOM 233 CA ILE A 14 -3.153 0.625 0.994 1.00 50.21 C ATOM 234 C ILE A 14 -3.276 -0.807 0.406 1.00 65.40 C ATOM 235 O ILE A 14 -3.677 -0.974 -0.752 1.00 43.54 O ATOM 236 CB ILE A 14 -1.636 1.068 1.012 1.00 20.12 C ATOM 237 CG1 ILE A 14 -1.453 2.463 1.687 1.00 1.20 C ATOM 238 CG2 ILE A 14 -1.045 1.096 -0.420 1.00 12.13 C ATOM 239 CD1 ILE A 14 -0.001 2.897 1.841 1.00 42.54 C ATOM 0 H ILE A 14 -3.118 0.895 3.092 1.00 40.35 H new ATOM 0 HA ILE A 14 -3.693 1.330 0.362 1.00 50.21 H new ATOM 0 HB ILE A 14 -1.095 0.328 1.602 1.00 20.12 H new ATOM 0 HG12 ILE A 14 -1.984 3.211 1.098 1.00 1.20 H new ATOM 0 HG13 ILE A 14 -1.920 2.442 2.671 1.00 1.20 H new ATOM 0 HG21 ILE A 14 -0.000 1.404 -0.377 1.00 12.13 H new ATOM 0 HG22 ILE A 14 -1.112 0.101 -0.861 1.00 12.13 H new ATOM 0 HG23 ILE A 14 -1.606 1.802 -1.032 1.00 12.13 H new ATOM 0 HD11 ILE A 14 0.037 3.876 2.318 1.00 42.54 H new ATOM 0 HD12 ILE A 14 0.532 2.172 2.456 1.00 42.54 H new ATOM 0 HD13 ILE A 14 0.468 2.954 0.859 1.00 42.54 H new ATOM 251 N ALA A 15 -2.976 -1.826 1.254 1.00 4.13 N ATOM 252 CA ALA A 15 -3.063 -3.263 0.888 1.00 43.54 C ATOM 253 C ALA A 15 -4.475 -3.640 0.391 1.00 11.30 C ATOM 254 O ALA A 15 -4.636 -4.273 -0.658 1.00 21.13 O ATOM 255 CB ALA A 15 -2.675 -4.139 2.097 1.00 42.31 C ATOM 0 H ALA A 15 -2.666 -1.672 2.214 1.00 4.13 H new ATOM 0 HA ALA A 15 -2.365 -3.442 0.070 1.00 43.54 H new ATOM 0 HB1 ALA A 15 -2.741 -5.191 1.820 1.00 42.31 H new ATOM 0 HB2 ALA A 15 -1.654 -3.908 2.401 1.00 42.31 H new ATOM 0 HB3 ALA A 15 -3.355 -3.938 2.925 1.00 42.31 H new ATOM 261 N LEU A 16 -5.474 -3.163 1.141 1.00 23.04 N ATOM 262 CA LEU A 16 -6.894 -3.527 0.955 1.00 21.01 C ATOM 263 C LEU A 16 -7.520 -2.747 -0.210 1.00 0.01 C ATOM 264 O LEU A 16 -8.359 -3.289 -0.927 1.00 72.11 O ATOM 265 CB LEU A 16 -7.698 -3.271 2.261 1.00 15.33 C ATOM 266 CG LEU A 16 -7.286 -4.127 3.502 1.00 54.35 C ATOM 267 CD1 LEU A 16 -8.056 -3.685 4.764 1.00 72.13 C ATOM 268 CD2 LEU A 16 -7.453 -5.635 3.229 1.00 52.22 C ATOM 0 H LEU A 16 -5.324 -2.505 1.905 1.00 23.04 H new ATOM 0 HA LEU A 16 -6.936 -4.590 0.716 1.00 21.01 H new ATOM 0 HB2 LEU A 16 -7.600 -2.218 2.523 1.00 15.33 H new ATOM 0 HB3 LEU A 16 -8.753 -3.451 2.055 1.00 15.33 H new ATOM 0 HG LEU A 16 -6.226 -3.952 3.688 1.00 54.35 H new ATOM 0 HD11 LEU A 16 -7.749 -4.298 5.611 1.00 72.13 H new ATOM 0 HD12 LEU A 16 -7.838 -2.638 4.976 1.00 72.13 H new ATOM 0 HD13 LEU A 16 -9.126 -3.806 4.598 1.00 72.13 H new ATOM 0 HD21 LEU A 16 -7.157 -6.200 4.113 1.00 52.22 H new ATOM 0 HD22 LEU A 16 -8.496 -5.849 2.994 1.00 52.22 H new ATOM 0 HD23 LEU A 16 -6.824 -5.924 2.387 1.00 52.22 H new ATOM 280 N LEU A 17 -7.101 -1.475 -0.379 1.00 73.14 N ATOM 281 CA LEU A 17 -7.589 -0.614 -1.474 1.00 10.33 C ATOM 282 C LEU A 17 -7.117 -1.171 -2.821 1.00 60.14 C ATOM 283 O LEU A 17 -7.934 -1.401 -3.695 1.00 2.21 O ATOM 284 CB LEU A 17 -7.134 0.867 -1.307 1.00 74.44 C ATOM 285 CG LEU A 17 -7.875 1.720 -0.231 1.00 31.32 C ATOM 286 CD1 LEU A 17 -7.278 3.143 -0.154 1.00 44.53 C ATOM 287 CD2 LEU A 17 -9.396 1.765 -0.498 1.00 24.14 C ATOM 0 H LEU A 17 -6.423 -1.021 0.233 1.00 73.14 H new ATOM 0 HA LEU A 17 -8.678 -0.618 -1.439 1.00 10.33 H new ATOM 0 HB2 LEU A 17 -6.071 0.869 -1.067 1.00 74.44 H new ATOM 0 HB3 LEU A 17 -7.245 1.366 -2.270 1.00 74.44 H new ATOM 0 HG LEU A 17 -7.728 1.240 0.736 1.00 31.32 H new ATOM 0 HD11 LEU A 17 -7.810 3.720 0.602 1.00 44.53 H new ATOM 0 HD12 LEU A 17 -6.223 3.081 0.112 1.00 44.53 H new ATOM 0 HD13 LEU A 17 -7.380 3.633 -1.122 1.00 44.53 H new ATOM 0 HD21 LEU A 17 -9.882 2.367 0.269 1.00 24.14 H new ATOM 0 HD22 LEU A 17 -9.581 2.207 -1.477 1.00 24.14 H new ATOM 0 HD23 LEU A 17 -9.800 0.753 -0.475 1.00 24.14 H new ATOM 299 N SER A 18 -5.798 -1.428 -2.944 1.00 41.50 N ATOM 300 CA SER A 18 -5.191 -1.978 -4.175 1.00 72.12 C ATOM 301 C SER A 18 -5.757 -3.376 -4.494 1.00 5.11 C ATOM 302 O SER A 18 -5.966 -3.710 -5.665 1.00 72.11 O ATOM 303 CB SER A 18 -3.668 -2.060 -4.023 1.00 31.24 C ATOM 304 OG SER A 18 -3.319 -2.934 -2.961 1.00 23.55 O ATOM 0 H SER A 18 -5.125 -1.261 -2.196 1.00 41.50 H new ATOM 0 HA SER A 18 -5.437 -1.309 -4.999 1.00 72.12 H new ATOM 0 HB2 SER A 18 -3.223 -2.413 -4.953 1.00 31.24 H new ATOM 0 HB3 SER A 18 -3.262 -1.067 -3.832 1.00 31.24 H new ATOM 0 HG SER A 18 -2.567 -2.556 -2.460 1.00 23.55 H new ATOM 310 N GLN A 19 -5.978 -4.183 -3.427 1.00 72.43 N ATOM 311 CA GLN A 19 -6.626 -5.502 -3.527 1.00 2.20 C ATOM 312 C GLN A 19 -8.033 -5.376 -4.133 1.00 63.44 C ATOM 313 O GLN A 19 -8.373 -6.090 -5.084 1.00 62.53 O ATOM 314 CB GLN A 19 -6.710 -6.160 -2.126 1.00 43.03 C ATOM 315 CG GLN A 19 -7.295 -7.584 -2.110 1.00 13.05 C ATOM 316 CD GLN A 19 -6.472 -8.579 -2.929 1.00 41.42 C ATOM 317 OE1 GLN A 19 -6.716 -8.792 -4.115 1.00 74.42 O ATOM 318 NE2 GLN A 19 -5.487 -9.190 -2.304 1.00 73.15 N ATOM 0 H GLN A 19 -5.710 -3.932 -2.475 1.00 72.43 H new ATOM 0 HA GLN A 19 -6.024 -6.130 -4.183 1.00 2.20 H new ATOM 0 HB2 GLN A 19 -5.709 -6.190 -1.694 1.00 43.03 H new ATOM 0 HB3 GLN A 19 -7.317 -5.527 -1.479 1.00 43.03 H new ATOM 0 HG2 GLN A 19 -7.356 -7.934 -1.079 1.00 13.05 H new ATOM 0 HG3 GLN A 19 -8.313 -7.557 -2.499 1.00 13.05 H new ATOM 0 HE21 GLN A 19 -5.308 -8.993 -1.319 1.00 73.15 H new ATOM 0 HE22 GLN A 19 -4.903 -9.860 -2.805 1.00 73.15 H new ATOM 327 N SER A 20 -8.818 -4.428 -3.582 1.00 13.42 N ATOM 328 CA SER A 20 -10.177 -4.143 -4.047 1.00 42.41 C ATOM 329 C SER A 20 -10.150 -3.688 -5.507 1.00 41.24 C ATOM 330 O SER A 20 -10.884 -4.215 -6.316 1.00 40.34 O ATOM 331 CB SER A 20 -10.852 -3.062 -3.172 1.00 53.21 C ATOM 332 OG SER A 20 -10.982 -3.497 -1.827 1.00 61.44 O ATOM 0 H SER A 20 -8.521 -3.842 -2.802 1.00 13.42 H new ATOM 0 HA SER A 20 -10.759 -5.061 -3.966 1.00 42.41 H new ATOM 0 HB2 SER A 20 -10.264 -2.145 -3.205 1.00 53.21 H new ATOM 0 HB3 SER A 20 -11.836 -2.825 -3.577 1.00 53.21 H new ATOM 0 HG SER A 20 -10.106 -3.471 -1.389 1.00 61.44 H new ATOM 338 N LEU A 21 -9.232 -2.760 -5.832 1.00 11.45 N ATOM 339 CA LEU A 21 -9.139 -2.149 -7.164 1.00 54.14 C ATOM 340 C LEU A 21 -8.674 -3.173 -8.212 1.00 53.41 C ATOM 341 O LEU A 21 -9.013 -3.036 -9.384 1.00 21.00 O ATOM 342 CB LEU A 21 -8.189 -0.915 -7.159 1.00 41.33 C ATOM 343 CG LEU A 21 -8.588 0.277 -6.232 1.00 73.04 C ATOM 344 CD1 LEU A 21 -7.620 1.468 -6.407 1.00 14.14 C ATOM 345 CD2 LEU A 21 -10.057 0.694 -6.441 1.00 43.54 C ATOM 0 H LEU A 21 -8.533 -2.414 -5.174 1.00 11.45 H new ATOM 0 HA LEU A 21 -10.139 -1.808 -7.433 1.00 54.14 H new ATOM 0 HB2 LEU A 21 -7.194 -1.253 -6.868 1.00 41.33 H new ATOM 0 HB3 LEU A 21 -8.113 -0.541 -8.180 1.00 41.33 H new ATOM 0 HG LEU A 21 -8.501 -0.064 -5.200 1.00 73.04 H new ATOM 0 HD11 LEU A 21 -7.923 2.283 -5.749 1.00 14.14 H new ATOM 0 HD12 LEU A 21 -6.607 1.154 -6.153 1.00 14.14 H new ATOM 0 HD13 LEU A 21 -7.646 1.809 -7.442 1.00 14.14 H new ATOM 0 HD21 LEU A 21 -10.297 1.526 -5.779 1.00 43.54 H new ATOM 0 HD22 LEU A 21 -10.204 1.001 -7.477 1.00 43.54 H new ATOM 0 HD23 LEU A 21 -10.710 -0.149 -6.216 1.00 43.54 H new ATOM 357 N LEU A 22 -7.905 -4.198 -7.776 1.00 22.10 N ATOM 358 CA LEU A 22 -7.452 -5.288 -8.663 1.00 32.44 C ATOM 359 C LEU A 22 -8.648 -6.191 -9.014 1.00 12.32 C ATOM 360 O LEU A 22 -8.894 -6.475 -10.194 1.00 11.34 O ATOM 361 CB LEU A 22 -6.307 -6.108 -8.009 1.00 4.50 C ATOM 362 CG LEU A 22 -5.671 -7.221 -8.907 1.00 21.33 C ATOM 363 CD1 LEU A 22 -5.050 -6.627 -10.190 1.00 5.41 C ATOM 364 CD2 LEU A 22 -4.639 -8.049 -8.118 1.00 20.31 C ATOM 0 H LEU A 22 -7.586 -4.290 -6.812 1.00 22.10 H new ATOM 0 HA LEU A 22 -7.052 -4.853 -9.579 1.00 32.44 H new ATOM 0 HB2 LEU A 22 -5.520 -5.419 -7.704 1.00 4.50 H new ATOM 0 HB3 LEU A 22 -6.691 -6.574 -7.102 1.00 4.50 H new ATOM 0 HG LEU A 22 -6.472 -7.893 -9.214 1.00 21.33 H new ATOM 0 HD11 LEU A 22 -4.618 -7.428 -10.790 1.00 5.41 H new ATOM 0 HD12 LEU A 22 -5.823 -6.119 -10.767 1.00 5.41 H new ATOM 0 HD13 LEU A 22 -4.271 -5.914 -9.921 1.00 5.41 H new ATOM 0 HD21 LEU A 22 -4.214 -8.814 -8.767 1.00 20.31 H new ATOM 0 HD22 LEU A 22 -3.844 -7.394 -7.760 1.00 20.31 H new ATOM 0 HD23 LEU A 22 -5.128 -8.525 -7.268 1.00 20.31 H new ATOM 376 N GLU A 23 -9.406 -6.582 -7.960 1.00 42.22 N ATOM 377 CA GLU A 23 -10.650 -7.372 -8.082 1.00 30.02 C ATOM 378 C GLU A 23 -11.635 -6.676 -9.039 1.00 62.53 C ATOM 379 O GLU A 23 -12.026 -7.238 -10.063 1.00 55.40 O ATOM 380 CB GLU A 23 -11.300 -7.573 -6.678 1.00 50.21 C ATOM 381 CG GLU A 23 -10.506 -8.492 -5.727 1.00 24.41 C ATOM 382 CD GLU A 23 -11.182 -8.687 -4.358 1.00 33.13 C ATOM 383 OE1 GLU A 23 -10.775 -8.031 -3.366 1.00 25.34 O ATOM 384 OE2 GLU A 23 -12.135 -9.501 -4.263 1.00 54.21 O ATOM 0 H GLU A 23 -9.167 -6.355 -6.995 1.00 42.22 H new ATOM 0 HA GLU A 23 -10.404 -8.351 -8.494 1.00 30.02 H new ATOM 0 HB2 GLU A 23 -11.419 -6.598 -6.205 1.00 50.21 H new ATOM 0 HB3 GLU A 23 -12.300 -7.987 -6.811 1.00 50.21 H new ATOM 0 HG2 GLU A 23 -10.374 -9.465 -6.200 1.00 24.41 H new ATOM 0 HG3 GLU A 23 -9.511 -8.073 -5.576 1.00 24.41 H new ATOM 391 N LEU A 24 -11.927 -5.410 -8.717 1.00 41.41 N ATOM 392 CA LEU A 24 -12.893 -4.573 -9.433 1.00 41.14 C ATOM 393 C LEU A 24 -12.479 -4.371 -10.904 1.00 51.11 C ATOM 394 O LEU A 24 -13.297 -4.554 -11.797 1.00 43.13 O ATOM 395 CB LEU A 24 -13.057 -3.204 -8.706 1.00 32.41 C ATOM 396 CG LEU A 24 -13.621 -3.266 -7.252 1.00 52.32 C ATOM 397 CD1 LEU A 24 -13.563 -1.886 -6.564 1.00 23.11 C ATOM 398 CD2 LEU A 24 -15.040 -3.864 -7.218 1.00 62.55 C ATOM 0 H LEU A 24 -11.487 -4.929 -7.932 1.00 41.41 H new ATOM 0 HA LEU A 24 -13.855 -5.085 -9.434 1.00 41.14 H new ATOM 0 HB2 LEU A 24 -12.085 -2.712 -8.677 1.00 32.41 H new ATOM 0 HB3 LEU A 24 -13.716 -2.574 -9.304 1.00 32.41 H new ATOM 0 HG LEU A 24 -12.979 -3.937 -6.682 1.00 52.32 H new ATOM 0 HD11 LEU A 24 -13.964 -1.966 -5.553 1.00 23.11 H new ATOM 0 HD12 LEU A 24 -12.529 -1.545 -6.518 1.00 23.11 H new ATOM 0 HD13 LEU A 24 -14.156 -1.170 -7.134 1.00 23.11 H new ATOM 0 HD21 LEU A 24 -15.399 -3.891 -6.189 1.00 62.55 H new ATOM 0 HD22 LEU A 24 -15.709 -3.248 -7.820 1.00 62.55 H new ATOM 0 HD23 LEU A 24 -15.018 -4.876 -7.621 1.00 62.55 H new ATOM 410 N ALA A 25 -11.187 -4.060 -11.140 1.00 11.14 N ATOM 411 CA ALA A 25 -10.652 -3.815 -12.500 1.00 14.22 C ATOM 412 C ALA A 25 -10.834 -5.036 -13.406 1.00 23.42 C ATOM 413 O ALA A 25 -11.303 -4.912 -14.541 1.00 51.50 O ATOM 414 CB ALA A 25 -9.169 -3.437 -12.440 1.00 0.22 C ATOM 0 H ALA A 25 -10.489 -3.972 -10.401 1.00 11.14 H new ATOM 0 HA ALA A 25 -11.218 -2.985 -12.923 1.00 14.22 H new ATOM 0 HB1 ALA A 25 -8.797 -3.262 -13.449 1.00 0.22 H new ATOM 0 HB2 ALA A 25 -9.048 -2.531 -11.846 1.00 0.22 H new ATOM 0 HB3 ALA A 25 -8.605 -4.249 -11.981 1.00 0.22 H new ATOM 420 N GLN A 26 -10.479 -6.215 -12.869 1.00 23.44 N ATOM 421 CA GLN A 26 -10.569 -7.493 -13.601 1.00 25.12 C ATOM 422 C GLN A 26 -12.039 -7.950 -13.769 1.00 3.32 C ATOM 423 O GLN A 26 -12.354 -8.717 -14.683 1.00 12.24 O ATOM 424 CB GLN A 26 -9.714 -8.564 -12.872 1.00 4.40 C ATOM 425 CG GLN A 26 -8.214 -8.183 -12.762 1.00 33.13 C ATOM 426 CD GLN A 26 -7.380 -9.162 -11.931 1.00 65.44 C ATOM 427 OE1 GLN A 26 -7.883 -9.823 -11.024 1.00 34.22 O ATOM 428 NE2 GLN A 26 -6.084 -9.224 -12.202 1.00 13.01 N ATOM 0 H GLN A 26 -10.122 -6.311 -11.918 1.00 23.44 H new ATOM 0 HA GLN A 26 -10.173 -7.353 -14.607 1.00 25.12 H new ATOM 0 HB2 GLN A 26 -10.116 -8.720 -11.871 1.00 4.40 H new ATOM 0 HB3 GLN A 26 -9.803 -9.512 -13.402 1.00 4.40 H new ATOM 0 HG2 GLN A 26 -7.791 -8.122 -13.765 1.00 33.13 H new ATOM 0 HG3 GLN A 26 -8.134 -7.189 -12.322 1.00 33.13 H new ATOM 0 HE21 GLN A 26 -5.694 -8.664 -12.960 1.00 13.01 H new ATOM 0 HE22 GLN A 26 -5.476 -9.831 -11.652 1.00 13.01 H new ATOM 437 N ARG A 27 -12.933 -7.463 -12.885 1.00 15.24 N ATOM 438 CA ARG A 27 -14.397 -7.704 -12.980 1.00 44.31 C ATOM 439 C ARG A 27 -15.102 -6.628 -13.845 1.00 41.12 C ATOM 440 O ARG A 27 -16.336 -6.630 -13.954 1.00 31.30 O ATOM 441 CB ARG A 27 -15.015 -7.756 -11.548 1.00 74.21 C ATOM 442 CG ARG A 27 -14.527 -8.950 -10.689 1.00 44.22 C ATOM 443 CD ARG A 27 -15.003 -8.870 -9.223 1.00 63.32 C ATOM 444 NE ARG A 27 -14.405 -9.943 -8.402 1.00 71.34 N ATOM 445 CZ ARG A 27 -14.133 -9.862 -7.086 1.00 52.43 C ATOM 446 NH1 ARG A 27 -14.405 -8.761 -6.385 1.00 4.34 N ATOM 447 NH2 ARG A 27 -13.559 -10.889 -6.480 1.00 54.50 N ATOM 0 H ARG A 27 -12.666 -6.891 -12.084 1.00 15.24 H new ATOM 0 HA ARG A 27 -14.553 -8.663 -13.474 1.00 44.31 H new ATOM 0 HB2 ARG A 27 -14.778 -6.828 -11.028 1.00 74.21 H new ATOM 0 HB3 ARG A 27 -16.100 -7.805 -11.634 1.00 74.21 H new ATOM 0 HG2 ARG A 27 -14.885 -9.880 -11.132 1.00 44.22 H new ATOM 0 HG3 ARG A 27 -13.438 -8.985 -10.711 1.00 44.22 H new ATOM 0 HD2 ARG A 27 -14.737 -7.899 -8.805 1.00 63.32 H new ATOM 0 HD3 ARG A 27 -16.090 -8.945 -9.187 1.00 63.32 H new ATOM 0 HE ARG A 27 -14.179 -10.820 -8.872 1.00 71.34 H new ATOM 0 HH11 ARG A 27 -14.829 -7.955 -6.845 1.00 4.34 H new ATOM 0 HH12 ARG A 27 -14.189 -8.724 -5.389 1.00 4.34 H new ATOM 0 HH21 ARG A 27 -13.328 -11.729 -7.010 1.00 54.50 H new ATOM 0 HH22 ARG A 27 -13.348 -10.840 -5.483 1.00 54.50 H new ATOM 461 N GLY A 28 -14.316 -5.714 -14.458 1.00 53.24 N ATOM 462 CA GLY A 28 -14.863 -4.679 -15.357 1.00 62.43 C ATOM 463 C GLY A 28 -15.517 -3.507 -14.633 1.00 35.51 C ATOM 464 O GLY A 28 -16.165 -2.664 -15.260 1.00 60.02 O ATOM 0 H GLY A 28 -13.303 -5.674 -14.345 1.00 53.24 H new ATOM 0 HA2 GLY A 28 -14.059 -4.299 -15.988 1.00 62.43 H new ATOM 0 HA3 GLY A 28 -15.597 -5.139 -16.018 1.00 62.43 H new ATOM 468 N GLU A 29 -15.349 -3.464 -13.310 1.00 24.32 N ATOM 469 CA GLU A 29 -15.870 -2.397 -12.443 1.00 4.52 C ATOM 470 C GLU A 29 -14.866 -1.210 -12.387 1.00 23.03 C ATOM 471 O GLU A 29 -14.548 -0.704 -11.299 1.00 54.21 O ATOM 472 CB GLU A 29 -16.095 -2.976 -11.016 1.00 63.23 C ATOM 473 CG GLU A 29 -16.843 -4.327 -10.937 1.00 21.55 C ATOM 474 CD GLU A 29 -18.331 -4.252 -11.315 1.00 61.53 C ATOM 475 OE1 GLU A 29 -19.104 -3.622 -10.559 1.00 64.20 O ATOM 476 OE2 GLU A 29 -18.742 -4.833 -12.344 1.00 52.42 O ATOM 0 H GLU A 29 -14.837 -4.183 -12.798 1.00 24.32 H new ATOM 0 HA GLU A 29 -16.814 -2.028 -12.844 1.00 4.52 H new ATOM 0 HB2 GLU A 29 -15.123 -3.094 -10.537 1.00 63.23 H new ATOM 0 HB3 GLU A 29 -16.651 -2.242 -10.432 1.00 63.23 H new ATOM 0 HG2 GLU A 29 -16.349 -5.041 -11.596 1.00 21.55 H new ATOM 0 HG3 GLU A 29 -16.758 -4.717 -9.923 1.00 21.55 H new ATOM 483 N TRP A 30 -14.410 -0.748 -13.578 1.00 73.33 N ATOM 484 CA TRP A 30 -13.391 0.325 -13.702 1.00 20.44 C ATOM 485 C TRP A 30 -13.904 1.646 -13.101 1.00 14.41 C ATOM 486 O TRP A 30 -13.119 2.453 -12.591 1.00 71.53 O ATOM 487 CB TRP A 30 -12.980 0.561 -15.183 1.00 31.01 C ATOM 488 CG TRP A 30 -12.468 -0.670 -15.902 1.00 13.41 C ATOM 489 CD1 TRP A 30 -13.194 -1.529 -16.684 1.00 33.02 C ATOM 490 CD2 TRP A 30 -11.117 -1.169 -15.917 1.00 64.35 C ATOM 491 NE1 TRP A 30 -12.388 -2.529 -17.167 1.00 73.34 N ATOM 492 CE2 TRP A 30 -11.111 -2.328 -16.715 1.00 30.52 C ATOM 493 CE3 TRP A 30 -9.911 -0.747 -15.332 1.00 63.13 C ATOM 494 CZ2 TRP A 30 -9.954 -3.072 -16.944 1.00 13.40 C ATOM 495 CZ3 TRP A 30 -8.763 -1.487 -15.562 1.00 63.42 C ATOM 496 CH2 TRP A 30 -8.794 -2.638 -16.361 1.00 25.52 C ATOM 0 H TRP A 30 -14.736 -1.107 -14.475 1.00 73.33 H new ATOM 0 HA TRP A 30 -12.514 -0.009 -13.147 1.00 20.44 H new ATOM 0 HB2 TRP A 30 -13.840 0.951 -15.727 1.00 31.01 H new ATOM 0 HB3 TRP A 30 -12.208 1.330 -15.213 1.00 31.01 H new ATOM 0 HD1 TRP A 30 -14.250 -1.433 -16.891 1.00 33.02 H new ATOM 0 HE1 TRP A 30 -12.691 -3.297 -17.766 1.00 73.34 H new ATOM 0 HE3 TRP A 30 -9.880 0.138 -14.714 1.00 63.13 H new ATOM 0 HZ2 TRP A 30 -9.972 -3.959 -17.560 1.00 13.40 H new ATOM 0 HZ3 TRP A 30 -7.830 -1.172 -15.119 1.00 63.42 H new ATOM 0 HH2 TRP A 30 -7.882 -3.195 -16.520 1.00 25.52 H new ATOM 507 N ASP A 31 -15.235 1.836 -13.172 1.00 33.44 N ATOM 508 CA ASP A 31 -15.929 2.994 -12.585 1.00 45.34 C ATOM 509 C ASP A 31 -15.633 3.110 -11.082 1.00 52.25 C ATOM 510 O ASP A 31 -15.322 4.187 -10.581 1.00 4.14 O ATOM 511 CB ASP A 31 -17.456 2.877 -12.815 1.00 3.32 C ATOM 512 CG ASP A 31 -17.824 2.863 -14.304 1.00 44.22 C ATOM 513 OD1 ASP A 31 -17.926 3.952 -14.912 1.00 51.34 O ATOM 514 OD2 ASP A 31 -17.974 1.762 -14.880 1.00 11.01 O ATOM 0 H ASP A 31 -15.862 1.184 -13.643 1.00 33.44 H new ATOM 0 HA ASP A 31 -15.561 3.894 -13.078 1.00 45.34 H new ATOM 0 HB2 ASP A 31 -17.823 1.965 -12.344 1.00 3.32 H new ATOM 0 HB3 ASP A 31 -17.959 3.712 -12.327 1.00 3.32 H new ATOM 519 N LEU A 32 -15.697 1.965 -10.385 1.00 72.11 N ATOM 520 CA LEU A 32 -15.444 1.899 -8.939 1.00 65.11 C ATOM 521 C LEU A 32 -13.976 2.284 -8.615 1.00 54.02 C ATOM 522 O LEU A 32 -13.719 2.864 -7.566 1.00 32.14 O ATOM 523 CB LEU A 32 -15.828 0.499 -8.381 1.00 54.43 C ATOM 524 CG LEU A 32 -17.349 0.126 -8.476 1.00 51.42 C ATOM 525 CD1 LEU A 32 -17.602 -1.317 -8.000 1.00 12.11 C ATOM 526 CD2 LEU A 32 -18.231 1.123 -7.688 1.00 4.31 C ATOM 0 H LEU A 32 -15.924 1.064 -10.806 1.00 72.11 H new ATOM 0 HA LEU A 32 -16.078 2.630 -8.438 1.00 65.11 H new ATOM 0 HB2 LEU A 32 -15.253 -0.256 -8.917 1.00 54.43 H new ATOM 0 HB3 LEU A 32 -15.524 0.449 -7.335 1.00 54.43 H new ATOM 0 HG LEU A 32 -17.630 0.191 -9.527 1.00 51.42 H new ATOM 0 HD11 LEU A 32 -18.665 -1.545 -8.078 1.00 12.11 H new ATOM 0 HD12 LEU A 32 -17.036 -2.010 -8.622 1.00 12.11 H new ATOM 0 HD13 LEU A 32 -17.284 -1.419 -6.962 1.00 12.11 H new ATOM 0 HD21 LEU A 32 -19.278 0.832 -7.777 1.00 4.31 H new ATOM 0 HD22 LEU A 32 -17.940 1.114 -6.638 1.00 4.31 H new ATOM 0 HD23 LEU A 32 -18.097 2.126 -8.093 1.00 4.31 H new ATOM 538 N LEU A 33 -13.030 2.009 -9.557 1.00 2.33 N ATOM 539 CA LEU A 33 -11.625 2.495 -9.448 1.00 25.22 C ATOM 540 C LEU A 33 -11.572 4.032 -9.570 1.00 70.10 C ATOM 541 O LEU A 33 -10.826 4.686 -8.838 1.00 4.13 O ATOM 542 CB LEU A 33 -10.669 1.871 -10.519 1.00 65.22 C ATOM 543 CG LEU A 33 -10.219 0.393 -10.294 1.00 42.25 C ATOM 544 CD1 LEU A 33 -11.361 -0.600 -10.529 1.00 25.03 C ATOM 545 CD2 LEU A 33 -8.984 0.055 -11.157 1.00 13.21 C ATOM 0 H LEU A 33 -13.214 1.457 -10.395 1.00 2.33 H new ATOM 0 HA LEU A 33 -11.276 2.176 -8.466 1.00 25.22 H new ATOM 0 HB2 LEU A 33 -11.163 1.931 -11.489 1.00 65.22 H new ATOM 0 HB3 LEU A 33 -9.775 2.492 -10.578 1.00 65.22 H new ATOM 0 HG LEU A 33 -9.933 0.296 -9.247 1.00 42.25 H new ATOM 0 HD11 LEU A 33 -11.001 -1.615 -10.361 1.00 25.03 H new ATOM 0 HD12 LEU A 33 -12.177 -0.386 -9.839 1.00 25.03 H new ATOM 0 HD13 LEU A 33 -11.719 -0.507 -11.554 1.00 25.03 H new ATOM 0 HD21 LEU A 33 -8.690 -0.980 -10.982 1.00 13.21 H new ATOM 0 HD22 LEU A 33 -9.228 0.190 -12.211 1.00 13.21 H new ATOM 0 HD23 LEU A 33 -8.160 0.716 -10.888 1.00 13.21 H new ATOM 557 N LEU A 34 -12.363 4.585 -10.518 1.00 42.22 N ATOM 558 CA LEU A 34 -12.418 6.045 -10.777 1.00 34.03 C ATOM 559 C LEU A 34 -12.865 6.827 -9.518 1.00 11.13 C ATOM 560 O LEU A 34 -12.257 7.837 -9.155 1.00 15.32 O ATOM 561 CB LEU A 34 -13.365 6.364 -11.971 1.00 31.43 C ATOM 562 CG LEU A 34 -13.045 5.648 -13.323 1.00 74.40 C ATOM 563 CD1 LEU A 34 -14.036 6.073 -14.424 1.00 50.24 C ATOM 564 CD2 LEU A 34 -11.578 5.870 -13.762 1.00 64.30 C ATOM 0 H LEU A 34 -12.977 4.038 -11.121 1.00 42.22 H new ATOM 0 HA LEU A 34 -11.409 6.366 -11.036 1.00 34.03 H new ATOM 0 HB2 LEU A 34 -14.382 6.104 -11.679 1.00 31.43 H new ATOM 0 HB3 LEU A 34 -13.348 7.440 -12.142 1.00 31.43 H new ATOM 0 HG LEU A 34 -13.167 4.577 -13.160 1.00 74.40 H new ATOM 0 HD11 LEU A 34 -13.790 5.560 -15.353 1.00 50.24 H new ATOM 0 HD12 LEU A 34 -15.050 5.810 -14.122 1.00 50.24 H new ATOM 0 HD13 LEU A 34 -13.971 7.150 -14.576 1.00 50.24 H new ATOM 0 HD21 LEU A 34 -11.399 5.355 -14.706 1.00 64.30 H new ATOM 0 HD22 LEU A 34 -11.394 6.937 -13.890 1.00 64.30 H new ATOM 0 HD23 LEU A 34 -10.906 5.475 -13.000 1.00 64.30 H new ATOM 576 N GLN A 35 -13.923 6.323 -8.849 1.00 43.05 N ATOM 577 CA GLN A 35 -14.447 6.915 -7.594 1.00 54.13 C ATOM 578 C GLN A 35 -13.486 6.678 -6.397 1.00 13.40 C ATOM 579 O GLN A 35 -13.462 7.473 -5.453 1.00 45.15 O ATOM 580 CB GLN A 35 -15.888 6.377 -7.278 1.00 13.34 C ATOM 581 CG GLN A 35 -17.053 7.221 -7.870 1.00 41.15 C ATOM 582 CD GLN A 35 -17.099 7.291 -9.405 1.00 42.40 C ATOM 583 OE1 GLN A 35 -16.706 6.368 -10.104 1.00 42.10 O ATOM 584 NE2 GLN A 35 -17.595 8.395 -9.943 1.00 71.33 N ATOM 0 H GLN A 35 -14.438 5.499 -9.159 1.00 43.05 H new ATOM 0 HA GLN A 35 -14.512 7.992 -7.746 1.00 54.13 H new ATOM 0 HB2 GLN A 35 -15.969 5.358 -7.657 1.00 13.34 H new ATOM 0 HB3 GLN A 35 -16.011 6.326 -6.196 1.00 13.34 H new ATOM 0 HG2 GLN A 35 -17.997 6.808 -7.513 1.00 41.15 H new ATOM 0 HG3 GLN A 35 -16.980 8.236 -7.478 1.00 41.15 H new ATOM 0 HE21 GLN A 35 -17.918 9.154 -9.343 1.00 71.33 H new ATOM 0 HE22 GLN A 35 -17.654 8.486 -10.957 1.00 71.33 H new ATOM 593 N GLN A 36 -12.708 5.584 -6.439 1.00 63.33 N ATOM 594 CA GLN A 36 -11.728 5.241 -5.377 1.00 31.42 C ATOM 595 C GLN A 36 -10.339 5.863 -5.619 1.00 64.52 C ATOM 596 O GLN A 36 -9.482 5.778 -4.736 1.00 10.14 O ATOM 597 CB GLN A 36 -11.613 3.705 -5.200 1.00 43.22 C ATOM 598 CG GLN A 36 -12.858 3.049 -4.571 1.00 43.42 C ATOM 599 CD GLN A 36 -13.166 3.546 -3.155 1.00 54.44 C ATOM 600 OE1 GLN A 36 -12.266 3.870 -2.376 1.00 45.22 O ATOM 601 NE2 GLN A 36 -14.444 3.628 -2.813 1.00 14.41 N ATOM 0 H GLN A 36 -12.735 4.910 -7.204 1.00 63.33 H new ATOM 0 HA GLN A 36 -12.112 5.675 -4.454 1.00 31.42 H new ATOM 0 HB2 GLN A 36 -11.429 3.251 -6.174 1.00 43.22 H new ATOM 0 HB3 GLN A 36 -10.746 3.486 -4.577 1.00 43.22 H new ATOM 0 HG2 GLN A 36 -13.720 3.240 -5.209 1.00 43.42 H new ATOM 0 HG3 GLN A 36 -12.715 1.969 -4.544 1.00 43.42 H new ATOM 0 HE21 GLN A 36 -15.168 3.353 -3.477 1.00 14.41 H new ATOM 0 HE22 GLN A 36 -14.703 3.966 -1.886 1.00 14.41 H new ATOM 610 N GLU A 37 -10.110 6.410 -6.834 1.00 20.15 N ATOM 611 CA GLU A 37 -8.824 7.023 -7.240 1.00 72.44 C ATOM 612 C GLU A 37 -8.276 7.998 -6.177 1.00 45.14 C ATOM 613 O GLU A 37 -7.205 7.753 -5.632 1.00 3.41 O ATOM 614 CB GLU A 37 -8.989 7.740 -8.604 1.00 61.03 C ATOM 615 CG GLU A 37 -7.686 8.322 -9.187 1.00 15.21 C ATOM 616 CD GLU A 37 -7.909 9.069 -10.507 1.00 33.33 C ATOM 617 OE1 GLU A 37 -7.834 8.444 -11.589 1.00 1.42 O ATOM 618 OE2 GLU A 37 -8.193 10.289 -10.471 1.00 24.21 O ATOM 0 H GLU A 37 -10.819 6.439 -7.567 1.00 20.15 H new ATOM 0 HA GLU A 37 -8.093 6.220 -7.338 1.00 72.44 H new ATOM 0 HB2 GLU A 37 -9.409 7.035 -9.321 1.00 61.03 H new ATOM 0 HB3 GLU A 37 -9.712 8.547 -8.490 1.00 61.03 H new ATOM 0 HG2 GLU A 37 -7.240 9.002 -8.461 1.00 15.21 H new ATOM 0 HG3 GLU A 37 -6.972 7.514 -9.348 1.00 15.21 H new ATOM 625 N VAL A 38 -9.055 9.057 -5.850 1.00 33.35 N ATOM 626 CA VAL A 38 -8.656 10.085 -4.856 1.00 55.53 C ATOM 627 C VAL A 38 -8.355 9.452 -3.483 1.00 1.43 C ATOM 628 O VAL A 38 -7.377 9.819 -2.835 1.00 63.41 O ATOM 629 CB VAL A 38 -9.750 11.215 -4.701 1.00 30.21 C ATOM 630 CG1 VAL A 38 -9.425 12.200 -3.543 1.00 72.22 C ATOM 631 CG2 VAL A 38 -9.915 11.986 -6.025 1.00 33.13 C ATOM 0 H VAL A 38 -9.972 9.223 -6.264 1.00 33.35 H new ATOM 0 HA VAL A 38 -7.745 10.547 -5.236 1.00 55.53 H new ATOM 0 HB VAL A 38 -10.688 10.720 -4.450 1.00 30.21 H new ATOM 0 HG11 VAL A 38 -10.207 12.957 -3.479 1.00 72.22 H new ATOM 0 HG12 VAL A 38 -9.373 11.651 -2.603 1.00 72.22 H new ATOM 0 HG13 VAL A 38 -8.467 12.684 -3.735 1.00 72.22 H new ATOM 0 HG21 VAL A 38 -10.672 12.761 -5.903 1.00 33.13 H new ATOM 0 HG22 VAL A 38 -8.966 12.446 -6.299 1.00 33.13 H new ATOM 0 HG23 VAL A 38 -10.225 11.297 -6.811 1.00 33.13 H new ATOM 641 N SER A 39 -9.186 8.480 -3.079 1.00 51.21 N ATOM 642 CA SER A 39 -9.033 7.763 -1.803 1.00 42.13 C ATOM 643 C SER A 39 -7.696 6.994 -1.745 1.00 24.31 C ATOM 644 O SER A 39 -6.971 7.070 -0.745 1.00 62.11 O ATOM 645 CB SER A 39 -10.228 6.809 -1.604 1.00 20.51 C ATOM 646 OG SER A 39 -11.445 7.536 -1.645 1.00 51.32 O ATOM 0 H SER A 39 -9.986 8.168 -3.629 1.00 51.21 H new ATOM 0 HA SER A 39 -9.018 8.492 -0.992 1.00 42.13 H new ATOM 0 HB2 SER A 39 -10.226 6.044 -2.381 1.00 20.51 H new ATOM 0 HB3 SER A 39 -10.136 6.293 -0.648 1.00 20.51 H new ATOM 0 HG SER A 39 -12.198 6.921 -1.519 1.00 51.32 H new ATOM 652 N TYR A 40 -7.366 6.319 -2.860 1.00 13.43 N ATOM 653 CA TYR A 40 -6.173 5.470 -2.970 1.00 62.53 C ATOM 654 C TYR A 40 -4.901 6.328 -2.960 1.00 14.31 C ATOM 655 O TYR A 40 -3.965 6.049 -2.201 1.00 63.01 O ATOM 656 CB TYR A 40 -6.226 4.615 -4.266 1.00 10.43 C ATOM 657 CG TYR A 40 -5.073 3.609 -4.387 1.00 24.13 C ATOM 658 CD1 TYR A 40 -4.917 2.602 -3.432 1.00 11.52 C ATOM 659 CD2 TYR A 40 -4.145 3.654 -5.436 1.00 62.33 C ATOM 660 CE1 TYR A 40 -3.893 1.687 -3.508 1.00 13.30 C ATOM 661 CE2 TYR A 40 -3.115 2.732 -5.515 1.00 72.13 C ATOM 662 CZ TYR A 40 -2.997 1.751 -4.546 1.00 32.14 C ATOM 663 OH TYR A 40 -1.974 0.834 -4.608 1.00 23.32 O ATOM 0 H TYR A 40 -7.924 6.349 -3.713 1.00 13.43 H new ATOM 0 HA TYR A 40 -6.153 4.800 -2.111 1.00 62.53 H new ATOM 0 HB2 TYR A 40 -7.173 4.075 -4.297 1.00 10.43 H new ATOM 0 HB3 TYR A 40 -6.210 5.279 -5.130 1.00 10.43 H new ATOM 0 HD1 TYR A 40 -5.618 2.540 -2.613 1.00 11.52 H new ATOM 0 HD2 TYR A 40 -4.234 4.419 -6.194 1.00 62.33 H new ATOM 0 HE1 TYR A 40 -3.794 0.921 -2.753 1.00 13.30 H new ATOM 0 HE2 TYR A 40 -2.407 2.778 -6.329 1.00 72.13 H new ATOM 0 HH TYR A 40 -1.727 0.557 -3.701 1.00 23.32 H new ATOM 673 N LEU A 41 -4.914 7.379 -3.798 1.00 65.01 N ATOM 674 CA LEU A 41 -3.767 8.275 -3.993 1.00 42.12 C ATOM 675 C LEU A 41 -3.476 9.062 -2.704 1.00 55.24 C ATOM 676 O LEU A 41 -2.321 9.148 -2.273 1.00 24.51 O ATOM 677 CB LEU A 41 -4.015 9.232 -5.192 1.00 25.33 C ATOM 678 CG LEU A 41 -4.318 8.553 -6.568 1.00 43.35 C ATOM 679 CD1 LEU A 41 -4.373 9.588 -7.709 1.00 52.02 C ATOM 680 CD2 LEU A 41 -3.324 7.420 -6.877 1.00 14.34 C ATOM 0 H LEU A 41 -5.727 7.630 -4.361 1.00 65.01 H new ATOM 0 HA LEU A 41 -2.890 7.671 -4.226 1.00 42.12 H new ATOM 0 HB2 LEU A 41 -4.851 9.885 -4.941 1.00 25.33 H new ATOM 0 HB3 LEU A 41 -3.137 9.868 -5.310 1.00 25.33 H new ATOM 0 HG LEU A 41 -5.306 8.099 -6.493 1.00 43.35 H new ATOM 0 HD11 LEU A 41 -4.585 9.081 -8.650 1.00 52.02 H new ATOM 0 HD12 LEU A 41 -5.159 10.315 -7.503 1.00 52.02 H new ATOM 0 HD13 LEU A 41 -3.414 10.101 -7.782 1.00 52.02 H new ATOM 0 HD21 LEU A 41 -3.569 6.974 -7.841 1.00 14.34 H new ATOM 0 HD22 LEU A 41 -2.312 7.823 -6.910 1.00 14.34 H new ATOM 0 HD23 LEU A 41 -3.386 6.659 -6.099 1.00 14.34 H new ATOM 692 N GLN A 42 -4.552 9.583 -2.074 1.00 73.14 N ATOM 693 CA GLN A 42 -4.460 10.338 -0.813 1.00 61.45 C ATOM 694 C GLN A 42 -3.824 9.467 0.279 1.00 30.23 C ATOM 695 O GLN A 42 -2.861 9.890 0.917 1.00 11.03 O ATOM 696 CB GLN A 42 -5.858 10.826 -0.346 1.00 62.03 C ATOM 697 CG GLN A 42 -5.829 11.757 0.885 1.00 60.33 C ATOM 698 CD GLN A 42 -7.216 12.106 1.435 1.00 20.11 C ATOM 699 OE1 GLN A 42 -8.213 12.131 0.709 1.00 21.21 O ATOM 700 NE2 GLN A 42 -7.282 12.396 2.726 1.00 41.33 N ATOM 0 H GLN A 42 -5.504 9.490 -2.427 1.00 73.14 H new ATOM 0 HA GLN A 42 -3.834 11.212 -0.991 1.00 61.45 H new ATOM 0 HB2 GLN A 42 -6.341 11.349 -1.171 1.00 62.03 H new ATOM 0 HB3 GLN A 42 -6.474 9.957 -0.115 1.00 62.03 H new ATOM 0 HG2 GLN A 42 -5.246 11.282 1.674 1.00 60.33 H new ATOM 0 HG3 GLN A 42 -5.313 12.679 0.618 1.00 60.33 H new ATOM 0 HE21 GLN A 42 -6.439 12.366 3.299 1.00 41.33 H new ATOM 0 HE22 GLN A 42 -8.176 12.649 3.147 1.00 41.33 H new ATOM 709 N SER A 43 -4.351 8.231 0.442 1.00 55.14 N ATOM 710 CA SER A 43 -3.864 7.287 1.462 1.00 22.21 C ATOM 711 C SER A 43 -2.369 6.967 1.278 1.00 34.11 C ATOM 712 O SER A 43 -1.581 7.215 2.192 1.00 64.31 O ATOM 713 CB SER A 43 -4.707 5.994 1.458 1.00 21.14 C ATOM 714 OG SER A 43 -6.056 6.278 1.784 1.00 53.41 O ATOM 0 H SER A 43 -5.117 7.868 -0.125 1.00 55.14 H new ATOM 0 HA SER A 43 -3.976 7.769 2.433 1.00 22.21 H new ATOM 0 HB2 SER A 43 -4.656 5.523 0.476 1.00 21.14 H new ATOM 0 HB3 SER A 43 -4.296 5.283 2.175 1.00 21.14 H new ATOM 0 HG SER A 43 -6.530 6.580 0.981 1.00 53.41 H new ATOM 720 N ILE A 44 -1.982 6.496 0.070 1.00 22.01 N ATOM 721 CA ILE A 44 -0.603 6.026 -0.206 1.00 53.24 C ATOM 722 C ILE A 44 0.439 7.162 0.014 1.00 51.12 C ATOM 723 O ILE A 44 1.484 6.938 0.658 1.00 23.40 O ATOM 724 CB ILE A 44 -0.476 5.375 -1.648 1.00 43.43 C ATOM 725 CG1 ILE A 44 0.896 4.644 -1.826 1.00 64.30 C ATOM 726 CG2 ILE A 44 -0.709 6.401 -2.784 1.00 3.55 C ATOM 727 CD1 ILE A 44 1.114 4.013 -3.199 1.00 73.30 C ATOM 0 H ILE A 44 -2.608 6.431 -0.733 1.00 22.01 H new ATOM 0 HA ILE A 44 -0.379 5.238 0.513 1.00 53.24 H new ATOM 0 HB ILE A 44 -1.270 4.631 -1.723 1.00 43.43 H new ATOM 0 HG12 ILE A 44 1.698 5.357 -1.638 1.00 64.30 H new ATOM 0 HG13 ILE A 44 0.978 3.866 -1.067 1.00 64.30 H new ATOM 0 HG21 ILE A 44 -0.611 5.904 -3.749 1.00 3.55 H new ATOM 0 HG22 ILE A 44 -1.710 6.823 -2.693 1.00 3.55 H new ATOM 0 HG23 ILE A 44 0.029 7.199 -2.710 1.00 3.55 H new ATOM 0 HD11 ILE A 44 2.091 3.530 -3.227 1.00 73.30 H new ATOM 0 HD12 ILE A 44 0.337 3.271 -3.386 1.00 73.30 H new ATOM 0 HD13 ILE A 44 1.069 4.786 -3.966 1.00 73.30 H new ATOM 739 N GLU A 45 0.101 8.391 -0.457 1.00 42.41 N ATOM 740 CA GLU A 45 0.943 9.592 -0.257 1.00 72.21 C ATOM 741 C GLU A 45 1.106 9.911 1.246 1.00 31.13 C ATOM 742 O GLU A 45 2.235 10.084 1.724 1.00 0.22 O ATOM 743 CB GLU A 45 0.342 10.819 -0.998 1.00 31.11 C ATOM 744 CG GLU A 45 0.383 10.736 -2.540 1.00 12.53 C ATOM 745 CD GLU A 45 1.789 10.920 -3.152 1.00 2.05 C ATOM 746 OE1 GLU A 45 2.586 9.950 -3.180 1.00 34.45 O ATOM 747 OE2 GLU A 45 2.102 12.044 -3.617 1.00 22.24 O ATOM 0 H GLU A 45 -0.755 8.573 -0.981 1.00 42.41 H new ATOM 0 HA GLU A 45 1.927 9.378 -0.675 1.00 72.21 H new ATOM 0 HB2 GLU A 45 -0.694 10.942 -0.683 1.00 31.11 H new ATOM 0 HB3 GLU A 45 0.879 11.713 -0.683 1.00 31.11 H new ATOM 0 HG2 GLU A 45 -0.011 9.768 -2.850 1.00 12.53 H new ATOM 0 HG3 GLU A 45 -0.281 11.497 -2.950 1.00 12.53 H new ATOM 754 N THR A 46 -0.040 9.938 1.974 1.00 63.55 N ATOM 755 CA THR A 46 -0.094 10.284 3.411 1.00 50.31 C ATOM 756 C THR A 46 0.799 9.359 4.256 1.00 54.35 C ATOM 757 O THR A 46 1.536 9.827 5.119 1.00 52.24 O ATOM 758 CB THR A 46 -1.571 10.265 3.953 1.00 22.41 C ATOM 759 OG1 THR A 46 -2.363 11.226 3.231 1.00 62.21 O ATOM 760 CG2 THR A 46 -1.658 10.586 5.459 1.00 60.34 C ATOM 0 H THR A 46 -0.953 9.719 1.576 1.00 63.55 H new ATOM 0 HA THR A 46 0.292 11.299 3.504 1.00 50.31 H new ATOM 0 HB THR A 46 -1.949 9.254 3.804 1.00 22.41 H new ATOM 0 HG1 THR A 46 -2.704 10.817 2.408 1.00 62.21 H new ATOM 0 HG21 THR A 46 -2.700 10.559 5.777 1.00 60.34 H new ATOM 0 HG22 THR A 46 -1.087 9.848 6.022 1.00 60.34 H new ATOM 0 HG23 THR A 46 -1.248 11.579 5.644 1.00 60.34 H new ATOM 768 N VAL A 47 0.756 8.053 3.963 1.00 61.20 N ATOM 769 CA VAL A 47 1.546 7.044 4.690 1.00 73.34 C ATOM 770 C VAL A 47 3.044 7.234 4.400 1.00 15.14 C ATOM 771 O VAL A 47 3.874 7.190 5.321 1.00 65.14 O ATOM 772 CB VAL A 47 1.104 5.587 4.316 1.00 25.14 C ATOM 773 CG1 VAL A 47 1.824 4.534 5.188 1.00 73.20 C ATOM 774 CG2 VAL A 47 -0.424 5.446 4.428 1.00 70.53 C ATOM 0 H VAL A 47 0.176 7.665 3.219 1.00 61.20 H new ATOM 0 HA VAL A 47 1.365 7.184 5.756 1.00 73.34 H new ATOM 0 HB VAL A 47 1.394 5.402 3.282 1.00 25.14 H new ATOM 0 HG11 VAL A 47 1.493 3.536 4.901 1.00 73.20 H new ATOM 0 HG12 VAL A 47 2.901 4.615 5.042 1.00 73.20 H new ATOM 0 HG13 VAL A 47 1.587 4.707 6.238 1.00 73.20 H new ATOM 0 HG21 VAL A 47 -0.716 4.429 4.165 1.00 70.53 H new ATOM 0 HG22 VAL A 47 -0.735 5.660 5.450 1.00 70.53 H new ATOM 0 HG23 VAL A 47 -0.905 6.149 3.748 1.00 70.53 H new ATOM 784 N MET A 48 3.377 7.492 3.113 1.00 75.14 N ATOM 785 CA MET A 48 4.775 7.744 2.696 1.00 33.11 C ATOM 786 C MET A 48 5.302 9.111 3.202 1.00 45.13 C ATOM 787 O MET A 48 6.510 9.344 3.166 1.00 45.33 O ATOM 788 CB MET A 48 4.937 7.622 1.154 1.00 12.32 C ATOM 789 CG MET A 48 4.779 6.192 0.612 1.00 64.22 C ATOM 790 SD MET A 48 5.214 6.039 -1.140 1.00 12.31 S ATOM 791 CE MET A 48 3.891 6.942 -1.956 1.00 74.24 C ATOM 0 H MET A 48 2.701 7.531 2.351 1.00 75.14 H new ATOM 0 HA MET A 48 5.385 6.971 3.164 1.00 33.11 H new ATOM 0 HB2 MET A 48 4.201 8.264 0.671 1.00 12.32 H new ATOM 0 HB3 MET A 48 5.921 7.998 0.873 1.00 12.32 H new ATOM 0 HG2 MET A 48 5.406 5.518 1.195 1.00 64.22 H new ATOM 0 HG3 MET A 48 3.747 5.869 0.753 1.00 64.22 H new ATOM 0 HE1 MET A 48 3.461 6.324 -2.744 1.00 74.24 H new ATOM 0 HE2 MET A 48 3.119 7.192 -1.229 1.00 74.24 H new ATOM 0 HE3 MET A 48 4.290 7.858 -2.391 1.00 74.24 H new ATOM 801 N GLU A 49 4.401 10.018 3.646 1.00 24.12 N ATOM 802 CA GLU A 49 4.808 11.282 4.318 1.00 44.23 C ATOM 803 C GLU A 49 5.320 11.020 5.749 1.00 23.13 C ATOM 804 O GLU A 49 6.257 11.682 6.213 1.00 53.23 O ATOM 805 CB GLU A 49 3.627 12.293 4.404 1.00 61.41 C ATOM 806 CG GLU A 49 3.124 12.843 3.057 1.00 61.44 C ATOM 807 CD GLU A 49 1.946 13.823 3.212 1.00 2.32 C ATOM 808 OE1 GLU A 49 2.008 14.955 2.681 1.00 5.32 O ATOM 809 OE2 GLU A 49 0.948 13.463 3.883 1.00 34.11 O ATOM 0 H GLU A 49 3.392 9.902 3.553 1.00 24.12 H new ATOM 0 HA GLU A 49 5.608 11.705 3.710 1.00 44.23 H new ATOM 0 HB2 GLU A 49 2.793 11.808 4.912 1.00 61.41 H new ATOM 0 HB3 GLU A 49 3.935 13.133 5.027 1.00 61.41 H new ATOM 0 HG2 GLU A 49 3.945 13.347 2.547 1.00 61.44 H new ATOM 0 HG3 GLU A 49 2.817 12.011 2.423 1.00 61.44 H new ATOM 816 N LYS A 50 4.698 10.042 6.431 1.00 1.25 N ATOM 817 CA LYS A 50 4.920 9.793 7.876 1.00 53.44 C ATOM 818 C LYS A 50 6.239 9.036 8.114 1.00 22.44 C ATOM 819 O LYS A 50 6.571 8.095 7.384 1.00 74.31 O ATOM 820 CB LYS A 50 3.696 9.034 8.504 1.00 43.43 C ATOM 821 CG LYS A 50 2.511 9.948 8.962 1.00 14.21 C ATOM 822 CD LYS A 50 2.118 11.026 7.920 1.00 12.44 C ATOM 823 CE LYS A 50 0.797 11.741 8.234 1.00 31.54 C ATOM 824 NZ LYS A 50 0.454 12.748 7.187 1.00 25.03 N ATOM 0 H LYS A 50 4.029 9.402 6.003 1.00 1.25 H new ATOM 0 HA LYS A 50 5.006 10.757 8.378 1.00 53.44 H new ATOM 0 HB2 LYS A 50 3.320 8.317 7.774 1.00 43.43 H new ATOM 0 HB3 LYS A 50 4.046 8.461 9.363 1.00 43.43 H new ATOM 0 HG2 LYS A 50 1.642 9.324 9.172 1.00 14.21 H new ATOM 0 HG3 LYS A 50 2.783 10.440 9.896 1.00 14.21 H new ATOM 0 HD2 LYS A 50 2.915 11.767 7.859 1.00 12.44 H new ATOM 0 HD3 LYS A 50 2.042 10.558 6.938 1.00 12.44 H new ATOM 0 HE2 LYS A 50 -0.005 11.007 8.310 1.00 31.54 H new ATOM 0 HE3 LYS A 50 0.871 12.234 9.203 1.00 31.54 H new ATOM 0 HZ1 LYS A 50 -0.559 12.975 7.243 1.00 25.03 H new ATOM 0 HZ2 LYS A 50 1.012 13.612 7.341 1.00 25.03 H new ATOM 0 HZ3 LYS A 50 0.670 12.359 6.247 1.00 25.03 H new ATOM 838 N GLN A 51 6.990 9.501 9.125 1.00 3.33 N ATOM 839 CA GLN A 51 8.263 8.898 9.559 1.00 24.54 C ATOM 840 C GLN A 51 8.022 7.525 10.216 1.00 23.12 C ATOM 841 O GLN A 51 6.974 7.301 10.836 1.00 54.21 O ATOM 842 CB GLN A 51 8.972 9.874 10.540 1.00 44.12 C ATOM 843 CG GLN A 51 10.341 9.412 11.094 1.00 34.13 C ATOM 844 CD GLN A 51 11.106 10.505 11.865 1.00 22.24 C ATOM 845 OE1 GLN A 51 10.980 11.757 11.432 1.00 71.51 O flip ATOM 846 NE2 GLN A 51 11.835 10.223 12.821 1.00 44.23 N flip ATOM 0 H GLN A 51 6.727 10.320 9.673 1.00 3.33 H new ATOM 0 HA GLN A 51 8.904 8.732 8.693 1.00 24.54 H new ATOM 0 HB2 GLN A 51 9.112 10.828 10.032 1.00 44.12 H new ATOM 0 HB3 GLN A 51 8.305 10.057 11.383 1.00 44.12 H new ATOM 0 HG2 GLN A 51 10.185 8.558 11.753 1.00 34.13 H new ATOM 0 HG3 GLN A 51 10.959 9.066 10.265 1.00 34.13 H new ATOM 0 HE21 GLN A 51 11.914 9.255 13.134 1.00 44.23 H new ATOM 0 HE22 GLN A 51 12.358 10.958 13.298 1.00 44.23 H new ATOM 855 N THR A 52 8.999 6.622 10.057 1.00 60.42 N ATOM 856 CA THR A 52 8.970 5.272 10.638 1.00 61.44 C ATOM 857 C THR A 52 9.025 5.342 12.190 1.00 52.34 C ATOM 858 O THR A 52 9.918 6.015 12.727 1.00 30.55 O ATOM 859 CB THR A 52 10.194 4.450 10.118 1.00 41.42 C ATOM 860 OG1 THR A 52 10.248 4.527 8.687 1.00 30.21 O ATOM 861 CG2 THR A 52 10.127 2.976 10.550 1.00 54.51 C ATOM 0 H THR A 52 9.842 6.810 9.515 1.00 60.42 H new ATOM 0 HA THR A 52 8.041 4.787 10.338 1.00 61.44 H new ATOM 0 HB THR A 52 11.093 4.882 10.556 1.00 41.42 H new ATOM 0 HG1 THR A 52 11.183 4.574 8.397 1.00 30.21 H new ATOM 0 HG21 THR A 52 10.998 2.444 10.166 1.00 54.51 H new ATOM 0 HG22 THR A 52 10.116 2.916 11.638 1.00 54.51 H new ATOM 0 HG23 THR A 52 9.220 2.521 10.152 1.00 54.51 H new ATOM 869 N PRO A 53 8.068 4.686 12.938 1.00 55.43 N ATOM 870 CA PRO A 53 8.157 4.591 14.417 1.00 30.55 C ATOM 871 C PRO A 53 9.320 3.656 14.856 1.00 12.35 C ATOM 872 O PRO A 53 9.661 2.718 14.123 1.00 4.03 O ATOM 873 CB PRO A 53 6.764 4.007 14.833 1.00 64.43 C ATOM 874 CG PRO A 53 5.895 4.124 13.606 1.00 32.51 C ATOM 875 CD PRO A 53 6.841 4.034 12.429 1.00 5.20 C ATOM 0 HA PRO A 53 8.369 5.550 14.890 1.00 30.55 H new ATOM 0 HB2 PRO A 53 6.853 2.969 15.153 1.00 64.43 H new ATOM 0 HB3 PRO A 53 6.339 4.563 15.669 1.00 64.43 H new ATOM 0 HG2 PRO A 53 5.152 3.327 13.574 1.00 32.51 H new ATOM 0 HG3 PRO A 53 5.350 5.068 13.600 1.00 32.51 H new ATOM 0 HD2 PRO A 53 7.025 3.000 12.137 1.00 5.20 H new ATOM 0 HD3 PRO A 53 6.445 4.547 11.553 1.00 5.20 H new ATOM 883 N PRO A 54 9.931 3.888 16.062 1.00 42.10 N ATOM 884 CA PRO A 54 10.956 2.982 16.636 1.00 22.32 C ATOM 885 C PRO A 54 10.361 1.620 17.043 1.00 73.41 C ATOM 886 O PRO A 54 10.971 0.573 16.801 1.00 74.50 O ATOM 887 CB PRO A 54 11.525 3.771 17.842 1.00 10.24 C ATOM 888 CG PRO A 54 10.437 4.727 18.222 1.00 51.20 C ATOM 889 CD PRO A 54 9.726 5.084 16.931 1.00 5.42 C ATOM 0 HA PRO A 54 11.734 2.723 15.918 1.00 22.32 H new ATOM 0 HB2 PRO A 54 11.773 3.105 18.669 1.00 10.24 H new ATOM 0 HB3 PRO A 54 12.440 4.299 17.573 1.00 10.24 H new ATOM 0 HG2 PRO A 54 9.748 4.272 18.934 1.00 51.20 H new ATOM 0 HG3 PRO A 54 10.848 5.616 18.700 1.00 51.20 H new ATOM 0 HD2 PRO A 54 8.667 5.278 17.099 1.00 5.42 H new ATOM 0 HD3 PRO A 54 10.147 5.982 16.479 1.00 5.42 H new ATOM 897 N GLY A 55 9.181 1.661 17.701 1.00 22.03 N ATOM 898 CA GLY A 55 8.494 0.464 18.191 1.00 15.13 C ATOM 899 C GLY A 55 7.777 -0.328 17.090 1.00 31.45 C ATOM 900 O GLY A 55 6.545 -0.390 17.056 1.00 50.02 O ATOM 0 H GLY A 55 8.685 2.529 17.903 1.00 22.03 H new ATOM 0 HA2 GLY A 55 9.219 -0.186 18.681 1.00 15.13 H new ATOM 0 HA3 GLY A 55 7.767 0.757 18.948 1.00 15.13 H new ATOM 904 N ILE A 56 8.565 -0.912 16.178 1.00 53.35 N ATOM 905 CA ILE A 56 8.094 -1.879 15.173 1.00 21.11 C ATOM 906 C ILE A 56 8.661 -3.250 15.555 1.00 3.13 C ATOM 907 O ILE A 56 9.869 -3.482 15.422 1.00 34.40 O ATOM 908 CB ILE A 56 8.550 -1.475 13.716 1.00 0.24 C ATOM 909 CG1 ILE A 56 7.847 -0.158 13.270 1.00 73.22 C ATOM 910 CG2 ILE A 56 8.314 -2.612 12.683 1.00 54.12 C ATOM 911 CD1 ILE A 56 8.207 0.303 11.872 1.00 62.15 C ATOM 0 H ILE A 56 9.565 -0.724 16.115 1.00 53.35 H new ATOM 0 HA ILE A 56 7.004 -1.899 15.162 1.00 21.11 H new ATOM 0 HB ILE A 56 9.626 -1.304 13.750 1.00 0.24 H new ATOM 0 HG12 ILE A 56 6.768 -0.300 13.326 1.00 73.22 H new ATOM 0 HG13 ILE A 56 8.101 0.632 13.976 1.00 73.22 H new ATOM 0 HG21 ILE A 56 8.644 -2.283 11.698 1.00 54.12 H new ATOM 0 HG22 ILE A 56 8.880 -3.496 12.979 1.00 54.12 H new ATOM 0 HG23 ILE A 56 7.252 -2.856 12.647 1.00 54.12 H new ATOM 0 HD11 ILE A 56 7.673 1.226 11.644 1.00 62.15 H new ATOM 0 HD12 ILE A 56 9.281 0.481 11.813 1.00 62.15 H new ATOM 0 HD13 ILE A 56 7.926 -0.466 11.152 1.00 62.15 H new ATOM 923 N THR A 57 7.795 -4.138 16.075 1.00 72.11 N ATOM 924 CA THR A 57 8.195 -5.490 16.503 1.00 45.05 C ATOM 925 C THR A 57 8.419 -6.392 15.277 1.00 73.35 C ATOM 926 O THR A 57 8.242 -5.951 14.132 1.00 41.51 O ATOM 927 CB THR A 57 7.125 -6.124 17.459 1.00 35.43 C ATOM 928 OG1 THR A 57 5.925 -6.428 16.737 1.00 42.32 O ATOM 929 CG2 THR A 57 6.780 -5.191 18.639 1.00 1.02 C ATOM 0 H THR A 57 6.804 -3.940 16.210 1.00 72.11 H new ATOM 0 HA THR A 57 9.130 -5.406 17.056 1.00 45.05 H new ATOM 0 HB THR A 57 7.560 -7.039 17.860 1.00 35.43 H new ATOM 0 HG1 THR A 57 5.268 -6.824 17.347 1.00 42.32 H new ATOM 0 HG21 THR A 57 6.036 -5.669 19.275 1.00 1.02 H new ATOM 0 HG22 THR A 57 7.680 -4.992 19.220 1.00 1.02 H new ATOM 0 HG23 THR A 57 6.380 -4.252 18.256 1.00 1.02 H new ATOM 937 N ARG A 58 8.814 -7.653 15.525 1.00 1.30 N ATOM 938 CA ARG A 58 9.072 -8.641 14.466 1.00 70.05 C ATOM 939 C ARG A 58 7.770 -8.943 13.700 1.00 52.24 C ATOM 940 O ARG A 58 7.746 -8.905 12.466 1.00 33.13 O ATOM 941 CB ARG A 58 9.681 -9.928 15.090 1.00 61.54 C ATOM 942 CG ARG A 58 10.179 -10.995 14.084 1.00 45.12 C ATOM 943 CD ARG A 58 11.276 -10.473 13.133 1.00 42.42 C ATOM 944 NE ARG A 58 11.891 -11.562 12.346 1.00 51.05 N ATOM 945 CZ ARG A 58 11.441 -12.021 11.163 1.00 45.12 C ATOM 946 NH1 ARG A 58 10.359 -11.504 10.586 1.00 50.25 N ATOM 947 NH2 ARG A 58 12.083 -13.008 10.558 1.00 23.52 N ATOM 0 H ARG A 58 8.963 -8.015 16.467 1.00 1.30 H new ATOM 0 HA ARG A 58 9.791 -8.238 13.753 1.00 70.05 H new ATOM 0 HB2 ARG A 58 10.517 -9.639 15.728 1.00 61.54 H new ATOM 0 HB3 ARG A 58 8.931 -10.386 15.735 1.00 61.54 H new ATOM 0 HG2 ARG A 58 10.564 -11.853 14.636 1.00 45.12 H new ATOM 0 HG3 ARG A 58 9.334 -11.349 13.493 1.00 45.12 H new ATOM 0 HD2 ARG A 58 10.847 -9.734 12.456 1.00 42.42 H new ATOM 0 HD3 ARG A 58 12.047 -9.965 13.713 1.00 42.42 H new ATOM 0 HE ARG A 58 12.726 -12.003 12.731 1.00 51.05 H new ATOM 0 HH11 ARG A 58 9.853 -10.744 11.040 1.00 50.25 H new ATOM 0 HH12 ARG A 58 10.036 -11.868 9.689 1.00 50.25 H new ATOM 0 HH21 ARG A 58 12.913 -13.416 10.988 1.00 23.52 H new ATOM 0 HH22 ARG A 58 11.748 -13.361 9.662 1.00 23.52 H new ATOM 961 N SER A 59 6.684 -9.172 14.465 1.00 31.53 N ATOM 962 CA SER A 59 5.348 -9.440 13.917 1.00 10.31 C ATOM 963 C SER A 59 4.817 -8.231 13.112 1.00 23.21 C ATOM 964 O SER A 59 4.222 -8.411 12.047 1.00 20.53 O ATOM 965 CB SER A 59 4.377 -9.799 15.061 1.00 63.22 C ATOM 966 OG SER A 59 4.860 -10.902 15.823 1.00 70.22 O ATOM 0 H SER A 59 6.714 -9.175 15.485 1.00 31.53 H new ATOM 0 HA SER A 59 5.421 -10.284 13.231 1.00 10.31 H new ATOM 0 HB2 SER A 59 4.243 -8.935 15.712 1.00 63.22 H new ATOM 0 HB3 SER A 59 3.398 -10.041 14.647 1.00 63.22 H new ATOM 0 HG SER A 59 4.226 -11.106 16.542 1.00 70.22 H new ATOM 972 N ILE A 60 5.056 -7.001 13.631 1.00 51.23 N ATOM 973 CA ILE A 60 4.685 -5.746 12.935 1.00 12.24 C ATOM 974 C ILE A 60 5.458 -5.613 11.606 1.00 60.44 C ATOM 975 O ILE A 60 4.875 -5.255 10.585 1.00 55.51 O ATOM 976 CB ILE A 60 4.919 -4.476 13.844 1.00 51.43 C ATOM 977 CG1 ILE A 60 3.992 -4.524 15.101 1.00 52.33 C ATOM 978 CG2 ILE A 60 4.711 -3.152 13.060 1.00 3.33 C ATOM 979 CD1 ILE A 60 4.176 -3.366 16.073 1.00 11.02 C ATOM 0 H ILE A 60 5.506 -6.853 14.534 1.00 51.23 H new ATOM 0 HA ILE A 60 3.618 -5.798 12.717 1.00 12.24 H new ATOM 0 HB ILE A 60 5.958 -4.497 14.172 1.00 51.43 H new ATOM 0 HG12 ILE A 60 2.954 -4.540 14.769 1.00 52.33 H new ATOM 0 HG13 ILE A 60 4.172 -5.459 15.632 1.00 52.33 H new ATOM 0 HG21 ILE A 60 4.882 -2.305 13.724 1.00 3.33 H new ATOM 0 HG22 ILE A 60 5.413 -3.108 12.228 1.00 3.33 H new ATOM 0 HG23 ILE A 60 3.691 -3.112 12.677 1.00 3.33 H new ATOM 0 HD11 ILE A 60 3.492 -3.484 16.913 1.00 11.02 H new ATOM 0 HD12 ILE A 60 5.203 -3.358 16.439 1.00 11.02 H new ATOM 0 HD13 ILE A 60 3.966 -2.426 15.563 1.00 11.02 H new ATOM 991 N GLN A 61 6.758 -5.966 11.630 1.00 71.34 N ATOM 992 CA GLN A 61 7.642 -5.912 10.449 1.00 73.30 C ATOM 993 C GLN A 61 7.098 -6.821 9.327 1.00 2.42 C ATOM 994 O GLN A 61 7.072 -6.422 8.159 1.00 40.22 O ATOM 995 CB GLN A 61 9.078 -6.341 10.852 1.00 63.02 C ATOM 996 CG GLN A 61 10.131 -6.250 9.728 1.00 34.42 C ATOM 997 CD GLN A 61 11.514 -6.766 10.149 1.00 4.43 C ATOM 998 OE1 GLN A 61 11.634 -7.648 11.003 1.00 12.10 O ATOM 999 NE2 GLN A 61 12.569 -6.226 9.564 1.00 35.42 N ATOM 0 H GLN A 61 7.227 -6.298 12.473 1.00 71.34 H new ATOM 0 HA GLN A 61 7.672 -4.890 10.072 1.00 73.30 H new ATOM 0 HB2 GLN A 61 9.405 -5.719 11.686 1.00 63.02 H new ATOM 0 HB3 GLN A 61 9.045 -7.368 11.214 1.00 63.02 H new ATOM 0 HG2 GLN A 61 9.784 -6.822 8.867 1.00 34.42 H new ATOM 0 HG3 GLN A 61 10.220 -5.212 9.406 1.00 34.42 H new ATOM 0 HE21 GLN A 61 12.445 -5.498 8.860 1.00 35.42 H new ATOM 0 HE22 GLN A 61 13.507 -6.537 9.816 1.00 35.42 H new ATOM 1008 N ASP A 62 6.637 -8.033 9.714 1.00 63.50 N ATOM 1009 CA ASP A 62 6.051 -9.008 8.768 1.00 62.32 C ATOM 1010 C ASP A 62 4.699 -8.531 8.202 1.00 32.23 C ATOM 1011 O ASP A 62 4.468 -8.642 6.998 1.00 74.33 O ATOM 1012 CB ASP A 62 5.866 -10.398 9.423 1.00 1.32 C ATOM 1013 CG ASP A 62 7.195 -11.081 9.785 1.00 34.53 C ATOM 1014 OD1 ASP A 62 7.453 -11.319 10.982 1.00 75.02 O ATOM 1015 OD2 ASP A 62 7.986 -11.386 8.865 1.00 12.44 O ATOM 0 H ASP A 62 6.660 -8.359 10.680 1.00 63.50 H new ATOM 0 HA ASP A 62 6.761 -9.091 7.945 1.00 62.32 H new ATOM 0 HB2 ASP A 62 5.264 -10.290 10.325 1.00 1.32 H new ATOM 0 HB3 ASP A 62 5.308 -11.041 8.742 1.00 1.32 H new ATOM 1020 N MET A 63 3.806 -8.021 9.078 1.00 43.23 N ATOM 1021 CA MET A 63 2.448 -7.583 8.664 1.00 34.13 C ATOM 1022 C MET A 63 2.528 -6.398 7.695 1.00 21.21 C ATOM 1023 O MET A 63 1.925 -6.438 6.623 1.00 53.41 O ATOM 1024 CB MET A 63 1.558 -7.225 9.887 1.00 44.34 C ATOM 1025 CG MET A 63 1.227 -8.412 10.801 1.00 64.25 C ATOM 1026 SD MET A 63 0.069 -7.970 12.116 1.00 54.22 S ATOM 1027 CE MET A 63 0.944 -6.639 12.947 1.00 72.31 C ATOM 0 H MET A 63 3.997 -7.901 10.073 1.00 43.23 H new ATOM 0 HA MET A 63 1.981 -8.423 8.150 1.00 34.13 H new ATOM 0 HB2 MET A 63 2.062 -6.459 10.476 1.00 44.34 H new ATOM 0 HB3 MET A 63 0.626 -6.789 9.527 1.00 44.34 H new ATOM 0 HG2 MET A 63 0.803 -9.219 10.204 1.00 64.25 H new ATOM 0 HG3 MET A 63 2.147 -8.793 11.244 1.00 64.25 H new ATOM 0 HE1 MET A 63 0.394 -6.345 13.841 1.00 72.31 H new ATOM 0 HE2 MET A 63 1.940 -6.979 13.229 1.00 72.31 H new ATOM 0 HE3 MET A 63 1.029 -5.785 12.276 1.00 72.31 H new ATOM 1037 N VAL A 64 3.307 -5.375 8.085 1.00 64.14 N ATOM 1038 CA VAL A 64 3.534 -4.172 7.270 1.00 25.20 C ATOM 1039 C VAL A 64 4.190 -4.536 5.918 1.00 63.14 C ATOM 1040 O VAL A 64 3.614 -4.225 4.883 1.00 5.13 O ATOM 1041 CB VAL A 64 4.376 -3.097 8.064 1.00 51.23 C ATOM 1042 CG1 VAL A 64 4.739 -1.881 7.184 1.00 2.14 C ATOM 1043 CG2 VAL A 64 3.604 -2.643 9.330 1.00 51.22 C ATOM 0 H VAL A 64 3.799 -5.360 8.979 1.00 64.14 H new ATOM 0 HA VAL A 64 2.566 -3.722 7.050 1.00 25.20 H new ATOM 0 HB VAL A 64 5.312 -3.567 8.365 1.00 51.23 H new ATOM 0 HG11 VAL A 64 5.318 -1.167 7.770 1.00 2.14 H new ATOM 0 HG12 VAL A 64 5.330 -2.213 6.330 1.00 2.14 H new ATOM 0 HG13 VAL A 64 3.826 -1.403 6.829 1.00 2.14 H new ATOM 0 HG21 VAL A 64 4.194 -1.902 9.870 1.00 51.22 H new ATOM 0 HG22 VAL A 64 2.650 -2.204 9.037 1.00 51.22 H new ATOM 0 HG23 VAL A 64 3.425 -3.503 9.975 1.00 51.22 H new ATOM 1053 N ALA A 65 5.351 -5.247 5.930 1.00 44.43 N ATOM 1054 CA ALA A 65 6.069 -5.621 4.674 1.00 23.31 C ATOM 1055 C ALA A 65 5.258 -6.610 3.816 1.00 74.50 C ATOM 1056 O ALA A 65 5.392 -6.617 2.598 1.00 62.20 O ATOM 1057 CB ALA A 65 7.473 -6.196 4.952 1.00 20.54 C ATOM 0 H ALA A 65 5.807 -5.570 6.783 1.00 44.43 H new ATOM 0 HA ALA A 65 6.186 -4.694 4.112 1.00 23.31 H new ATOM 0 HB1 ALA A 65 7.954 -6.453 4.008 1.00 20.54 H new ATOM 0 HB2 ALA A 65 8.074 -5.452 5.475 1.00 20.54 H new ATOM 0 HB3 ALA A 65 7.384 -7.090 5.569 1.00 20.54 H new ATOM 1063 N GLY A 66 4.419 -7.432 4.468 1.00 30.23 N ATOM 1064 CA GLY A 66 3.532 -8.368 3.764 1.00 51.54 C ATOM 1065 C GLY A 66 2.434 -7.633 3.014 1.00 71.31 C ATOM 1066 O GLY A 66 2.080 -8.002 1.888 1.00 61.50 O ATOM 0 H GLY A 66 4.338 -7.466 5.484 1.00 30.23 H new ATOM 0 HA2 GLY A 66 4.115 -8.967 3.064 1.00 51.54 H new ATOM 0 HA3 GLY A 66 3.086 -9.058 4.480 1.00 51.54 H new ATOM 1070 N TYR A 67 1.916 -6.567 3.650 1.00 54.24 N ATOM 1071 CA TYR A 67 0.924 -5.667 3.051 1.00 3.23 C ATOM 1072 C TYR A 67 1.551 -4.809 1.951 1.00 64.11 C ATOM 1073 O TYR A 67 0.887 -4.539 0.945 1.00 35.11 O ATOM 1074 CB TYR A 67 0.270 -4.767 4.128 1.00 5.10 C ATOM 1075 CG TYR A 67 -0.742 -5.485 5.040 1.00 40.43 C ATOM 1076 CD1 TYR A 67 -1.523 -6.566 4.586 1.00 52.20 C ATOM 1077 CD2 TYR A 67 -0.945 -5.054 6.341 1.00 12.44 C ATOM 1078 CE1 TYR A 67 -2.457 -7.170 5.410 1.00 61.32 C ATOM 1079 CE2 TYR A 67 -1.868 -5.660 7.155 1.00 32.42 C ATOM 1080 CZ TYR A 67 -2.624 -6.710 6.693 1.00 50.32 C ATOM 1081 OH TYR A 67 -3.553 -7.298 7.524 1.00 23.01 O ATOM 0 H TYR A 67 2.178 -6.307 4.601 1.00 54.24 H new ATOM 0 HA TYR A 67 0.148 -6.286 2.601 1.00 3.23 H new ATOM 0 HB2 TYR A 67 1.056 -4.337 4.749 1.00 5.10 H new ATOM 0 HB3 TYR A 67 -0.234 -3.938 3.632 1.00 5.10 H new ATOM 0 HD1 TYR A 67 -1.391 -6.930 3.578 1.00 52.20 H new ATOM 0 HD2 TYR A 67 -0.366 -4.226 6.721 1.00 12.44 H new ATOM 0 HE1 TYR A 67 -3.050 -7.997 5.047 1.00 61.32 H new ATOM 0 HE2 TYR A 67 -2.001 -5.309 8.168 1.00 32.42 H new ATOM 0 HH TYR A 67 -3.541 -6.851 8.396 1.00 23.01 H new ATOM 1091 N ILE A 68 2.832 -4.397 2.148 1.00 42.34 N ATOM 1092 CA ILE A 68 3.577 -3.637 1.133 1.00 52.34 C ATOM 1093 C ILE A 68 3.740 -4.513 -0.113 1.00 72.41 C ATOM 1094 O ILE A 68 3.388 -4.086 -1.193 1.00 73.20 O ATOM 1095 CB ILE A 68 4.999 -3.123 1.607 1.00 2.12 C ATOM 1096 CG1 ILE A 68 4.886 -2.203 2.864 1.00 34.54 C ATOM 1097 CG2 ILE A 68 5.718 -2.363 0.454 1.00 2.13 C ATOM 1098 CD1 ILE A 68 6.211 -1.666 3.388 1.00 51.04 C ATOM 0 H ILE A 68 3.360 -4.582 3.001 1.00 42.34 H new ATOM 0 HA ILE A 68 2.993 -2.740 0.927 1.00 52.34 H new ATOM 0 HB ILE A 68 5.589 -3.998 1.880 1.00 2.12 H new ATOM 0 HG12 ILE A 68 4.239 -1.360 2.622 1.00 34.54 H new ATOM 0 HG13 ILE A 68 4.396 -2.761 3.662 1.00 34.54 H new ATOM 0 HG21 ILE A 68 6.693 -2.018 0.798 1.00 2.13 H new ATOM 0 HG22 ILE A 68 5.850 -3.032 -0.396 1.00 2.13 H new ATOM 0 HG23 ILE A 68 5.116 -1.506 0.152 1.00 2.13 H new ATOM 0 HD11 ILE A 68 6.030 -1.039 4.261 1.00 51.04 H new ATOM 0 HD12 ILE A 68 6.856 -2.499 3.667 1.00 51.04 H new ATOM 0 HD13 ILE A 68 6.697 -1.075 2.611 1.00 51.04 H new ATOM 1110 N LYS A 69 4.186 -5.777 0.091 1.00 72.30 N ATOM 1111 CA LYS A 69 4.418 -6.745 -0.996 1.00 15.44 C ATOM 1112 C LYS A 69 3.134 -6.957 -1.801 1.00 2.44 C ATOM 1113 O LYS A 69 3.144 -6.860 -3.029 1.00 4.24 O ATOM 1114 CB LYS A 69 4.912 -8.113 -0.436 1.00 71.21 C ATOM 1115 CG LYS A 69 5.329 -9.181 -1.497 1.00 5.23 C ATOM 1116 CD LYS A 69 6.714 -8.935 -2.180 1.00 10.45 C ATOM 1117 CE LYS A 69 6.727 -7.807 -3.237 1.00 30.04 C ATOM 1118 NZ LYS A 69 5.767 -8.059 -4.343 1.00 64.34 N ATOM 0 H LYS A 69 4.394 -6.149 1.018 1.00 72.30 H new ATOM 0 HA LYS A 69 5.192 -6.336 -1.646 1.00 15.44 H new ATOM 0 HB2 LYS A 69 5.764 -7.928 0.218 1.00 71.21 H new ATOM 0 HB3 LYS A 69 4.121 -8.536 0.183 1.00 71.21 H new ATOM 0 HG2 LYS A 69 5.347 -10.159 -1.017 1.00 5.23 H new ATOM 0 HG3 LYS A 69 4.562 -9.220 -2.271 1.00 5.23 H new ATOM 0 HD2 LYS A 69 7.446 -8.698 -1.408 1.00 10.45 H new ATOM 0 HD3 LYS A 69 7.039 -9.861 -2.654 1.00 10.45 H new ATOM 0 HE2 LYS A 69 6.484 -6.859 -2.757 1.00 30.04 H new ATOM 0 HE3 LYS A 69 7.732 -7.708 -3.647 1.00 30.04 H new ATOM 0 HZ1 LYS A 69 5.918 -7.361 -5.099 1.00 64.34 H new ATOM 0 HZ2 LYS A 69 5.916 -9.016 -4.721 1.00 64.34 H new ATOM 0 HZ3 LYS A 69 4.794 -7.976 -3.984 1.00 64.34 H new ATOM 1132 N GLN A 70 2.031 -7.189 -1.063 1.00 41.51 N ATOM 1133 CA GLN A 70 0.705 -7.438 -1.638 1.00 11.30 C ATOM 1134 C GLN A 70 0.239 -6.243 -2.484 1.00 51.55 C ATOM 1135 O GLN A 70 -0.197 -6.430 -3.619 1.00 24.01 O ATOM 1136 CB GLN A 70 -0.336 -7.732 -0.524 1.00 54.14 C ATOM 1137 CG GLN A 70 -1.693 -8.238 -1.054 1.00 65.52 C ATOM 1138 CD GLN A 70 -2.724 -8.512 0.039 1.00 15.40 C ATOM 1139 OE1 GLN A 70 -3.568 -9.511 -0.173 1.00 14.21 O flip ATOM 1140 NE2 GLN A 70 -2.749 -7.848 1.077 1.00 51.32 N flip ATOM 0 H GLN A 70 2.041 -7.208 -0.043 1.00 41.51 H new ATOM 0 HA GLN A 70 0.785 -8.313 -2.283 1.00 11.30 H new ATOM 0 HB2 GLN A 70 0.077 -8.475 0.158 1.00 54.14 H new ATOM 0 HB3 GLN A 70 -0.499 -6.824 0.056 1.00 54.14 H new ATOM 0 HG2 GLN A 70 -2.099 -7.500 -1.746 1.00 65.52 H new ATOM 0 HG3 GLN A 70 -1.531 -9.153 -1.624 1.00 65.52 H new ATOM 0 HE21 GLN A 70 -2.086 -7.085 1.210 1.00 51.32 H new ATOM 0 HE22 GLN A 70 -3.433 -8.062 1.803 1.00 51.32 H new ATOM 1149 N THR A 71 0.403 -5.011 -1.947 1.00 74.12 N ATOM 1150 CA THR A 71 -0.089 -3.800 -2.615 1.00 51.00 C ATOM 1151 C THR A 71 0.854 -3.402 -3.752 1.00 3.52 C ATOM 1152 O THR A 71 0.423 -2.731 -4.682 1.00 52.44 O ATOM 1153 CB THR A 71 -0.338 -2.603 -1.629 1.00 42.14 C ATOM 1154 OG1 THR A 71 -0.992 -1.526 -2.316 1.00 12.32 O ATOM 1155 CG2 THR A 71 0.925 -2.052 -0.968 1.00 63.10 C ATOM 0 H THR A 71 0.871 -4.838 -1.057 1.00 74.12 H new ATOM 0 HA THR A 71 -1.066 -4.043 -3.033 1.00 51.00 H new ATOM 0 HB THR A 71 -0.961 -3.014 -0.835 1.00 42.14 H new ATOM 0 HG1 THR A 71 -0.344 -0.814 -2.501 1.00 12.32 H new ATOM 0 HG21 THR A 71 0.659 -1.229 -0.304 1.00 63.10 H new ATOM 0 HG22 THR A 71 1.408 -2.841 -0.392 1.00 63.10 H new ATOM 0 HG23 THR A 71 1.610 -1.692 -1.736 1.00 63.10 H new ATOM 1163 N LEU A 72 2.136 -3.846 -3.679 1.00 62.45 N ATOM 1164 CA LEU A 72 3.086 -3.680 -4.791 1.00 11.20 C ATOM 1165 C LEU A 72 2.580 -4.475 -5.980 1.00 62.22 C ATOM 1166 O LEU A 72 2.444 -3.924 -7.056 1.00 24.52 O ATOM 1167 CB LEU A 72 4.546 -4.129 -4.449 1.00 71.23 C ATOM 1168 CG LEU A 72 5.310 -3.287 -3.385 1.00 44.34 C ATOM 1169 CD1 LEU A 72 6.799 -3.662 -3.314 1.00 74.13 C ATOM 1170 CD2 LEU A 72 5.108 -1.785 -3.617 1.00 30.43 C ATOM 0 H LEU A 72 2.526 -4.318 -2.863 1.00 62.45 H new ATOM 0 HA LEU A 72 3.139 -2.614 -5.011 1.00 11.20 H new ATOM 0 HB2 LEU A 72 4.511 -5.162 -4.103 1.00 71.23 H new ATOM 0 HB3 LEU A 72 5.128 -4.121 -5.370 1.00 71.23 H new ATOM 0 HG LEU A 72 4.882 -3.528 -2.412 1.00 44.34 H new ATOM 0 HD11 LEU A 72 7.293 -3.050 -2.559 1.00 74.13 H new ATOM 0 HD12 LEU A 72 6.897 -4.715 -3.049 1.00 74.13 H new ATOM 0 HD13 LEU A 72 7.265 -3.488 -4.284 1.00 74.13 H new ATOM 0 HD21 LEU A 72 5.653 -1.223 -2.859 1.00 30.43 H new ATOM 0 HD22 LEU A 72 5.480 -1.516 -4.606 1.00 30.43 H new ATOM 0 HD23 LEU A 72 4.046 -1.546 -3.552 1.00 30.43 H new ATOM 1182 N ASP A 73 2.257 -5.766 -5.737 1.00 51.52 N ATOM 1183 CA ASP A 73 1.783 -6.693 -6.783 1.00 72.12 C ATOM 1184 C ASP A 73 0.459 -6.216 -7.390 1.00 4.04 C ATOM 1185 O ASP A 73 0.381 -6.040 -8.596 1.00 55.14 O ATOM 1186 CB ASP A 73 1.635 -8.144 -6.243 1.00 33.53 C ATOM 1187 CG ASP A 73 2.979 -8.769 -5.829 1.00 72.32 C ATOM 1188 OD1 ASP A 73 3.139 -9.169 -4.660 1.00 35.43 O ATOM 1189 OD2 ASP A 73 3.901 -8.839 -6.679 1.00 71.10 O ATOM 0 H ASP A 73 2.318 -6.191 -4.812 1.00 51.52 H new ATOM 0 HA ASP A 73 2.541 -6.701 -7.567 1.00 72.12 H new ATOM 0 HB2 ASP A 73 0.962 -8.140 -5.385 1.00 33.53 H new ATOM 0 HB3 ASP A 73 1.171 -8.766 -7.009 1.00 33.53 H new ATOM 1194 N ASN A 74 -0.551 -5.966 -6.523 1.00 45.33 N ATOM 1195 CA ASN A 74 -1.906 -5.520 -6.943 1.00 11.43 C ATOM 1196 C ASN A 74 -1.819 -4.258 -7.824 1.00 14.03 C ATOM 1197 O ASN A 74 -2.302 -4.248 -8.960 1.00 61.43 O ATOM 1198 CB ASN A 74 -2.823 -5.226 -5.717 1.00 53.25 C ATOM 1199 CG ASN A 74 -3.040 -6.410 -4.773 1.00 1.23 C ATOM 1200 OD1 ASN A 74 -3.003 -7.576 -5.172 1.00 23.13 O ATOM 1201 ND2 ASN A 74 -3.285 -6.113 -3.503 1.00 45.12 N ATOM 0 H ASN A 74 -0.452 -6.067 -5.513 1.00 45.33 H new ATOM 0 HA ASN A 74 -2.344 -6.336 -7.517 1.00 11.43 H new ATOM 0 HB2 ASN A 74 -2.391 -4.402 -5.149 1.00 53.25 H new ATOM 0 HB3 ASN A 74 -3.793 -4.888 -6.081 1.00 53.25 H new ATOM 0 HD21 ASN A 74 -3.449 -6.859 -2.827 1.00 45.12 H new ATOM 0 HD22 ASN A 74 -3.309 -5.139 -3.203 1.00 45.12 H new ATOM 1208 N GLU A 75 -1.139 -3.233 -7.293 1.00 40.03 N ATOM 1209 CA GLU A 75 -0.969 -1.931 -7.958 1.00 50.50 C ATOM 1210 C GLU A 75 -0.103 -2.054 -9.237 1.00 31.32 C ATOM 1211 O GLU A 75 -0.311 -1.324 -10.199 1.00 4.21 O ATOM 1212 CB GLU A 75 -0.333 -0.940 -6.952 1.00 44.41 C ATOM 1213 CG GLU A 75 -0.092 0.472 -7.480 1.00 70.15 C ATOM 1214 CD GLU A 75 0.595 1.415 -6.477 1.00 54.44 C ATOM 1215 OE1 GLU A 75 1.662 1.041 -5.933 1.00 25.11 O ATOM 1216 OE2 GLU A 75 0.101 2.546 -6.279 1.00 43.44 O ATOM 0 H GLU A 75 -0.686 -3.283 -6.380 1.00 40.03 H new ATOM 0 HA GLU A 75 -1.945 -1.561 -8.273 1.00 50.50 H new ATOM 0 HB2 GLU A 75 -0.978 -0.876 -6.076 1.00 44.41 H new ATOM 0 HB3 GLU A 75 0.619 -1.351 -6.617 1.00 44.41 H new ATOM 0 HG2 GLU A 75 0.519 0.411 -8.381 1.00 70.15 H new ATOM 0 HG3 GLU A 75 -1.048 0.906 -7.772 1.00 70.15 H new ATOM 1223 N GLN A 76 0.846 -3.006 -9.244 1.00 22.21 N ATOM 1224 CA GLN A 76 1.764 -3.213 -10.389 1.00 11.31 C ATOM 1225 C GLN A 76 1.017 -3.900 -11.540 1.00 43.15 C ATOM 1226 O GLN A 76 1.260 -3.599 -12.708 1.00 34.24 O ATOM 1227 CB GLN A 76 2.974 -4.064 -9.946 1.00 30.22 C ATOM 1228 CG GLN A 76 4.210 -4.013 -10.852 1.00 2.51 C ATOM 1229 CD GLN A 76 5.392 -4.814 -10.285 1.00 40.44 C ATOM 1230 OE1 GLN A 76 6.549 -4.412 -10.402 1.00 52.30 O ATOM 1231 NE2 GLN A 76 5.116 -5.981 -9.709 1.00 35.24 N ATOM 0 H GLN A 76 1.002 -3.649 -8.468 1.00 22.21 H new ATOM 0 HA GLN A 76 2.127 -2.246 -10.737 1.00 11.31 H new ATOM 0 HB2 GLN A 76 3.269 -3.744 -8.947 1.00 30.22 H new ATOM 0 HB3 GLN A 76 2.651 -5.102 -9.866 1.00 30.22 H new ATOM 0 HG2 GLN A 76 3.951 -4.403 -11.836 1.00 2.51 H new ATOM 0 HG3 GLN A 76 4.512 -2.975 -10.990 1.00 2.51 H new ATOM 0 HE21 GLN A 76 4.148 -6.292 -9.624 1.00 35.24 H new ATOM 0 HE22 GLN A 76 5.872 -6.565 -9.352 1.00 35.24 H new ATOM 1240 N LEU A 77 0.098 -4.821 -11.176 1.00 21.24 N ATOM 1241 CA LEU A 77 -0.763 -5.526 -12.138 1.00 23.15 C ATOM 1242 C LEU A 77 -1.745 -4.523 -12.775 1.00 60.23 C ATOM 1243 O LEU A 77 -1.973 -4.569 -13.978 1.00 20.14 O ATOM 1244 CB LEU A 77 -1.537 -6.696 -11.456 1.00 45.30 C ATOM 1245 CG LEU A 77 -0.675 -7.863 -10.860 1.00 15.02 C ATOM 1246 CD1 LEU A 77 -1.567 -8.947 -10.220 1.00 64.25 C ATOM 1247 CD2 LEU A 77 0.282 -8.469 -11.905 1.00 51.44 C ATOM 0 H LEU A 77 -0.064 -5.093 -10.206 1.00 21.24 H new ATOM 0 HA LEU A 77 -0.135 -5.961 -12.915 1.00 23.15 H new ATOM 0 HB2 LEU A 77 -2.145 -6.279 -10.653 1.00 45.30 H new ATOM 0 HB3 LEU A 77 -2.224 -7.121 -12.188 1.00 45.30 H new ATOM 0 HG LEU A 77 -0.055 -7.433 -10.073 1.00 15.02 H new ATOM 0 HD11 LEU A 77 -0.940 -9.742 -9.816 1.00 64.25 H new ATOM 0 HD12 LEU A 77 -2.156 -8.505 -9.416 1.00 64.25 H new ATOM 0 HD13 LEU A 77 -2.236 -9.360 -10.975 1.00 64.25 H new ATOM 0 HD21 LEU A 77 0.858 -9.273 -11.447 1.00 51.44 H new ATOM 0 HD22 LEU A 77 -0.295 -8.866 -12.740 1.00 51.44 H new ATOM 0 HD23 LEU A 77 0.961 -7.697 -12.268 1.00 51.44 H new ATOM 1259 N LEU A 78 -2.283 -3.603 -11.939 1.00 4.52 N ATOM 1260 CA LEU A 78 -3.207 -2.530 -12.375 1.00 2.25 C ATOM 1261 C LEU A 78 -2.539 -1.547 -13.344 1.00 14.33 C ATOM 1262 O LEU A 78 -2.945 -1.438 -14.498 1.00 44.33 O ATOM 1263 CB LEU A 78 -3.768 -1.758 -11.143 1.00 20.54 C ATOM 1264 CG LEU A 78 -4.771 -2.546 -10.269 1.00 1.01 C ATOM 1265 CD1 LEU A 78 -5.225 -1.721 -9.056 1.00 15.55 C ATOM 1266 CD2 LEU A 78 -5.966 -3.004 -11.121 1.00 3.55 C ATOM 0 H LEU A 78 -2.087 -3.585 -10.938 1.00 4.52 H new ATOM 0 HA LEU A 78 -4.027 -3.013 -12.906 1.00 2.25 H new ATOM 0 HB2 LEU A 78 -2.931 -1.449 -10.517 1.00 20.54 H new ATOM 0 HB3 LEU A 78 -4.255 -0.849 -11.496 1.00 20.54 H new ATOM 0 HG LEU A 78 -4.269 -3.432 -9.879 1.00 1.01 H new ATOM 0 HD11 LEU A 78 -5.929 -2.304 -8.463 1.00 15.55 H new ATOM 0 HD12 LEU A 78 -4.359 -1.466 -8.445 1.00 15.55 H new ATOM 0 HD13 LEU A 78 -5.709 -0.806 -9.399 1.00 15.55 H new ATOM 0 HD21 LEU A 78 -6.667 -3.558 -10.497 1.00 3.55 H new ATOM 0 HD22 LEU A 78 -6.467 -2.133 -11.543 1.00 3.55 H new ATOM 0 HD23 LEU A 78 -5.613 -3.646 -11.928 1.00 3.55 H new ATOM 1278 N LYS A 79 -1.502 -0.853 -12.848 1.00 62.42 N ATOM 1279 CA LYS A 79 -0.810 0.221 -13.588 1.00 53.31 C ATOM 1280 C LYS A 79 -0.072 -0.358 -14.818 1.00 62.32 C ATOM 1281 O LYS A 79 -0.001 0.291 -15.874 1.00 21.32 O ATOM 1282 CB LYS A 79 0.142 1.012 -12.629 1.00 35.24 C ATOM 1283 CG LYS A 79 -0.560 2.070 -11.714 1.00 34.13 C ATOM 1284 CD LYS A 79 -1.647 1.493 -10.776 1.00 72.20 C ATOM 1285 CE LYS A 79 -2.281 2.557 -9.858 1.00 52.31 C ATOM 1286 NZ LYS A 79 -1.313 3.146 -8.886 1.00 71.15 N ATOM 0 H LYS A 79 -1.116 -1.020 -11.919 1.00 62.42 H new ATOM 0 HA LYS A 79 -1.544 0.932 -13.967 1.00 53.31 H new ATOM 0 HB2 LYS A 79 0.667 0.298 -11.994 1.00 35.24 H new ATOM 0 HB3 LYS A 79 0.897 1.519 -13.230 1.00 35.24 H new ATOM 0 HG2 LYS A 79 0.198 2.566 -11.108 1.00 34.13 H new ATOM 0 HG3 LYS A 79 -1.013 2.834 -12.346 1.00 34.13 H new ATOM 0 HD2 LYS A 79 -2.428 1.029 -11.378 1.00 72.20 H new ATOM 0 HD3 LYS A 79 -1.208 0.707 -10.162 1.00 72.20 H new ATOM 0 HE2 LYS A 79 -2.700 3.354 -10.472 1.00 52.31 H new ATOM 0 HE3 LYS A 79 -3.109 2.108 -9.310 1.00 52.31 H new ATOM 0 HZ1 LYS A 79 -1.683 3.039 -7.920 1.00 71.15 H new ATOM 0 HZ2 LYS A 79 -0.400 2.654 -8.964 1.00 71.15 H new ATOM 0 HZ3 LYS A 79 -1.181 4.156 -9.096 1.00 71.15 H new ATOM 1300 N GLY A 80 0.419 -1.606 -14.675 1.00 2.33 N ATOM 1301 CA GLY A 80 1.027 -2.349 -15.782 1.00 2.02 C ATOM 1302 C GLY A 80 0.021 -2.684 -16.877 1.00 62.31 C ATOM 1303 O GLY A 80 0.336 -2.572 -18.066 1.00 50.14 O ATOM 0 H GLY A 80 0.403 -2.118 -13.793 1.00 2.33 H new ATOM 0 HA2 GLY A 80 1.841 -1.761 -16.207 1.00 2.02 H new ATOM 0 HA3 GLY A 80 1.465 -3.271 -15.400 1.00 2.02 H new ATOM 1307 N LEU A 81 -1.205 -3.075 -16.450 1.00 23.30 N ATOM 1308 CA LEU A 81 -2.353 -3.358 -17.351 1.00 51.40 C ATOM 1309 C LEU A 81 -2.731 -2.080 -18.124 1.00 72.13 C ATOM 1310 O LEU A 81 -3.037 -2.144 -19.326 1.00 53.51 O ATOM 1311 CB LEU A 81 -3.552 -3.884 -16.488 1.00 4.31 C ATOM 1312 CG LEU A 81 -4.776 -4.592 -17.183 1.00 14.32 C ATOM 1313 CD1 LEU A 81 -5.656 -5.298 -16.121 1.00 23.33 C ATOM 1314 CD2 LEU A 81 -5.642 -3.629 -18.030 1.00 11.24 C ATOM 0 H LEU A 81 -1.428 -3.204 -15.463 1.00 23.30 H new ATOM 0 HA LEU A 81 -2.088 -4.122 -18.082 1.00 51.40 H new ATOM 0 HB2 LEU A 81 -3.144 -4.585 -15.760 1.00 4.31 H new ATOM 0 HB3 LEU A 81 -3.944 -3.035 -15.928 1.00 4.31 H new ATOM 0 HG LEU A 81 -4.358 -5.326 -17.873 1.00 14.32 H new ATOM 0 HD11 LEU A 81 -6.499 -5.784 -16.612 1.00 23.33 H new ATOM 0 HD12 LEU A 81 -5.062 -6.046 -15.595 1.00 23.33 H new ATOM 0 HD13 LEU A 81 -6.027 -4.562 -15.408 1.00 23.33 H new ATOM 0 HD21 LEU A 81 -6.467 -4.182 -18.480 1.00 11.24 H new ATOM 0 HD22 LEU A 81 -6.039 -2.840 -17.391 1.00 11.24 H new ATOM 0 HD23 LEU A 81 -5.031 -3.186 -18.816 1.00 11.24 H new ATOM 1326 N LEU A 82 -2.693 -0.926 -17.409 1.00 72.42 N ATOM 1327 CA LEU A 82 -3.034 0.391 -17.974 1.00 4.34 C ATOM 1328 C LEU A 82 -2.130 0.700 -19.175 1.00 0.15 C ATOM 1329 O LEU A 82 -2.636 0.976 -20.272 1.00 42.02 O ATOM 1330 CB LEU A 82 -2.917 1.510 -16.897 1.00 2.44 C ATOM 1331 CG LEU A 82 -3.881 1.399 -15.674 1.00 53.25 C ATOM 1332 CD1 LEU A 82 -3.621 2.530 -14.655 1.00 54.13 C ATOM 1333 CD2 LEU A 82 -5.364 1.363 -16.112 1.00 33.11 C ATOM 0 H LEU A 82 -2.424 -0.890 -16.426 1.00 72.42 H new ATOM 0 HA LEU A 82 -4.070 0.361 -18.312 1.00 4.34 H new ATOM 0 HB2 LEU A 82 -1.893 1.520 -16.525 1.00 2.44 H new ATOM 0 HB3 LEU A 82 -3.090 2.471 -17.382 1.00 2.44 H new ATOM 0 HG LEU A 82 -3.671 0.451 -15.180 1.00 53.25 H new ATOM 0 HD11 LEU A 82 -4.307 2.427 -13.814 1.00 54.13 H new ATOM 0 HD12 LEU A 82 -2.594 2.467 -14.295 1.00 54.13 H new ATOM 0 HD13 LEU A 82 -3.778 3.496 -15.135 1.00 54.13 H new ATOM 0 HD21 LEU A 82 -6.002 1.285 -15.231 1.00 33.11 H new ATOM 0 HD22 LEU A 82 -5.605 2.277 -16.655 1.00 33.11 H new ATOM 0 HD23 LEU A 82 -5.532 0.502 -16.758 1.00 33.11 H new ATOM 1490 N LEU A 92 0.331 12.003 -8.475 1.00 4.35 N ATOM 1491 CA LEU A 92 1.085 11.887 -7.202 1.00 60.23 C ATOM 1492 C LEU A 92 2.184 12.984 -7.184 1.00 23.40 C ATOM 1493 O LEU A 92 2.005 14.037 -7.811 1.00 31.12 O ATOM 1494 CB LEU A 92 1.715 10.461 -7.075 1.00 41.01 C ATOM 1495 CG LEU A 92 0.725 9.254 -6.975 1.00 23.44 C ATOM 1496 CD1 LEU A 92 1.485 7.931 -6.728 1.00 22.53 C ATOM 1497 CD2 LEU A 92 -0.347 9.486 -5.894 1.00 60.11 C ATOM 0 HA LEU A 92 0.416 12.028 -6.353 1.00 60.23 H new ATOM 0 HB2 LEU A 92 2.362 10.298 -7.937 1.00 41.01 H new ATOM 0 HB3 LEU A 92 2.353 10.450 -6.191 1.00 41.01 H new ATOM 0 HG LEU A 92 0.211 9.174 -7.933 1.00 23.44 H new ATOM 0 HD11 LEU A 92 0.772 7.109 -6.663 1.00 22.53 H new ATOM 0 HD12 LEU A 92 2.175 7.749 -7.552 1.00 22.53 H new ATOM 0 HD13 LEU A 92 2.044 8.001 -5.795 1.00 22.53 H new ATOM 0 HD21 LEU A 92 -1.016 8.626 -5.854 1.00 60.11 H new ATOM 0 HD22 LEU A 92 0.135 9.615 -4.925 1.00 60.11 H new ATOM 0 HD23 LEU A 92 -0.920 10.381 -6.136 1.00 60.11 H new ATOM 1509 N ILE A 93 3.287 12.765 -6.424 1.00 21.32 N ATOM 1510 CA ILE A 93 4.526 13.588 -6.530 1.00 22.12 C ATOM 1511 C ILE A 93 4.988 13.681 -8.006 1.00 4.11 C ATOM 1512 O ILE A 93 5.399 14.742 -8.485 1.00 23.52 O ATOM 1513 CB ILE A 93 5.690 12.980 -5.649 1.00 12.11 C ATOM 1514 CG1 ILE A 93 5.282 12.960 -4.144 1.00 10.42 C ATOM 1515 CG2 ILE A 93 7.043 13.721 -5.861 1.00 44.54 C ATOM 1516 CD1 ILE A 93 6.323 12.371 -3.205 1.00 55.31 C ATOM 0 H ILE A 93 3.346 12.023 -5.727 1.00 21.32 H new ATOM 0 HA ILE A 93 4.294 14.587 -6.160 1.00 22.12 H new ATOM 0 HB ILE A 93 5.846 11.953 -5.978 1.00 12.11 H new ATOM 0 HG12 ILE A 93 5.065 13.980 -3.828 1.00 10.42 H new ATOM 0 HG13 ILE A 93 4.358 12.391 -4.041 1.00 10.42 H new ATOM 0 HG21 ILE A 93 7.809 13.266 -5.234 1.00 44.54 H new ATOM 0 HG22 ILE A 93 7.339 13.646 -6.907 1.00 44.54 H new ATOM 0 HG23 ILE A 93 6.929 14.771 -5.590 1.00 44.54 H new ATOM 0 HD11 ILE A 93 5.948 12.401 -2.182 1.00 55.31 H new ATOM 0 HD12 ILE A 93 6.525 11.338 -3.488 1.00 55.31 H new ATOM 0 HD13 ILE A 93 7.243 12.952 -3.271 1.00 55.31 H new ATOM 1528 N GLY A 94 4.885 12.543 -8.696 1.00 13.34 N ATOM 1529 CA GLY A 94 5.169 12.441 -10.117 1.00 14.43 C ATOM 1530 C GLY A 94 4.982 11.017 -10.600 1.00 25.24 C ATOM 1531 O GLY A 94 4.536 10.146 -9.835 1.00 22.43 O ATOM 0 H GLY A 94 4.598 11.660 -8.273 1.00 13.34 H new ATOM 0 HA2 GLY A 94 4.511 13.108 -10.673 1.00 14.43 H new ATOM 0 HA3 GLY A 94 6.191 12.765 -10.313 1.00 14.43 H new ATOM 1535 N GLN A 95 5.319 10.769 -11.869 1.00 43.54 N ATOM 1536 CA GLN A 95 5.298 9.413 -12.439 1.00 31.01 C ATOM 1537 C GLN A 95 6.516 8.609 -11.943 1.00 4.44 C ATOM 1538 O GLN A 95 7.560 9.195 -11.625 1.00 60.53 O ATOM 1539 CB GLN A 95 5.238 9.475 -13.989 1.00 44.33 C ATOM 1540 CG GLN A 95 3.899 9.999 -14.537 1.00 25.14 C ATOM 1541 CD GLN A 95 2.686 9.148 -14.121 1.00 20.42 C ATOM 1542 OE1 GLN A 95 1.593 9.672 -13.908 1.00 4.02 O ATOM 1543 NE2 GLN A 95 2.842 7.827 -14.053 1.00 44.43 N ATOM 0 H GLN A 95 5.612 11.492 -12.526 1.00 43.54 H new ATOM 0 HA GLN A 95 4.400 8.897 -12.100 1.00 31.01 H new ATOM 0 HB2 GLN A 95 6.043 10.115 -14.349 1.00 44.33 H new ATOM 0 HB3 GLN A 95 5.419 8.478 -14.391 1.00 44.33 H new ATOM 0 HG2 GLN A 95 3.750 11.022 -14.191 1.00 25.14 H new ATOM 0 HG3 GLN A 95 3.951 10.035 -15.625 1.00 25.14 H new ATOM 0 HE21 GLN A 95 3.756 7.411 -14.233 1.00 44.43 H new ATOM 0 HE22 GLN A 95 2.047 7.231 -13.821 1.00 44.43 H new ATOM 1552 N SER A 96 6.320 7.276 -11.831 1.00 41.33 N ATOM 1553 CA SER A 96 7.287 6.299 -11.272 1.00 11.25 C ATOM 1554 C SER A 96 7.371 6.343 -9.728 1.00 44.02 C ATOM 1555 O SER A 96 7.850 5.372 -9.118 1.00 21.02 O ATOM 1556 CB SER A 96 8.696 6.417 -11.916 1.00 2.14 C ATOM 1557 OG SER A 96 9.581 5.404 -11.454 1.00 12.02 O ATOM 0 H SER A 96 5.454 6.833 -12.138 1.00 41.33 H new ATOM 0 HA SER A 96 6.890 5.319 -11.538 1.00 11.25 H new ATOM 0 HB2 SER A 96 8.605 6.352 -13.000 1.00 2.14 H new ATOM 0 HB3 SER A 96 9.117 7.397 -11.690 1.00 2.14 H new ATOM 0 HG SER A 96 9.247 5.039 -10.608 1.00 12.02 H new ATOM 1563 N THR A 97 6.867 7.431 -9.101 1.00 14.13 N ATOM 1564 CA THR A 97 6.955 7.642 -7.642 1.00 52.50 C ATOM 1565 C THR A 97 6.268 6.513 -6.848 1.00 1.21 C ATOM 1566 O THR A 97 6.777 6.100 -5.803 1.00 12.03 O ATOM 1567 CB THR A 97 6.348 9.032 -7.236 1.00 70.24 C ATOM 1568 OG1 THR A 97 7.043 10.091 -7.929 1.00 30.24 O ATOM 1569 CG2 THR A 97 6.427 9.282 -5.714 1.00 53.21 C ATOM 0 H THR A 97 6.389 8.185 -9.594 1.00 14.13 H new ATOM 0 HA THR A 97 8.015 7.630 -7.387 1.00 52.50 H new ATOM 0 HB THR A 97 5.295 9.020 -7.519 1.00 70.24 H new ATOM 0 HG1 THR A 97 7.173 10.849 -7.322 1.00 30.24 H new ATOM 0 HG21 THR A 97 5.995 10.256 -5.482 1.00 53.21 H new ATOM 0 HG22 THR A 97 5.873 8.505 -5.188 1.00 53.21 H new ATOM 0 HG23 THR A 97 7.469 9.263 -5.396 1.00 53.21 H new ATOM 1577 N ARG A 98 5.138 6.000 -7.378 1.00 74.32 N ATOM 1578 CA ARG A 98 4.363 4.935 -6.721 1.00 43.33 C ATOM 1579 C ARG A 98 5.235 3.679 -6.443 1.00 40.34 C ATOM 1580 O ARG A 98 5.453 3.304 -5.282 1.00 72.45 O ATOM 1581 CB ARG A 98 3.112 4.559 -7.581 1.00 72.30 C ATOM 1582 CG ARG A 98 3.410 4.153 -9.068 1.00 71.05 C ATOM 1583 CD ARG A 98 2.638 2.895 -9.524 1.00 22.44 C ATOM 1584 NE ARG A 98 2.859 1.757 -8.604 1.00 41.01 N ATOM 1585 CZ ARG A 98 3.114 0.471 -8.945 1.00 12.15 C ATOM 1586 NH1 ARG A 98 3.200 0.101 -10.213 1.00 73.42 N ATOM 1587 NH2 ARG A 98 3.227 -0.440 -7.979 1.00 63.32 N ATOM 0 H ARG A 98 4.743 6.311 -8.265 1.00 74.32 H new ATOM 0 HA ARG A 98 4.024 5.318 -5.758 1.00 43.33 H new ATOM 0 HB2 ARG A 98 2.593 3.733 -7.094 1.00 72.30 H new ATOM 0 HB3 ARG A 98 2.427 5.407 -7.585 1.00 72.30 H new ATOM 0 HG2 ARG A 98 3.154 4.986 -9.723 1.00 71.05 H new ATOM 0 HG3 ARG A 98 4.479 3.976 -9.182 1.00 71.05 H new ATOM 0 HD2 ARG A 98 1.573 3.120 -9.576 1.00 22.44 H new ATOM 0 HD3 ARG A 98 2.955 2.618 -10.529 1.00 22.44 H new ATOM 0 HE ARG A 98 2.815 1.963 -7.606 1.00 41.01 H new ATOM 0 HH11 ARG A 98 3.073 0.789 -10.955 1.00 73.42 H new ATOM 0 HH12 ARG A 98 3.393 -0.873 -10.448 1.00 73.42 H new ATOM 0 HH21 ARG A 98 3.122 -0.164 -7.003 1.00 63.32 H new ATOM 0 HH22 ARG A 98 3.419 -1.413 -8.216 1.00 63.32 H new ATOM 1601 N GLN A 99 5.833 3.118 -7.514 1.00 30.21 N ATOM 1602 CA GLN A 99 6.519 1.826 -7.454 1.00 73.12 C ATOM 1603 C GLN A 99 7.897 2.016 -6.828 1.00 50.14 C ATOM 1604 O GLN A 99 8.303 1.224 -5.986 1.00 61.31 O ATOM 1605 CB GLN A 99 6.598 1.210 -8.882 1.00 2.14 C ATOM 1606 CG GLN A 99 7.030 -0.281 -8.953 1.00 72.11 C ATOM 1607 CD GLN A 99 8.542 -0.520 -8.797 1.00 54.22 C ATOM 1608 OE1 GLN A 99 9.366 0.302 -9.198 1.00 35.03 O ATOM 1609 NE2 GLN A 99 8.913 -1.631 -8.190 1.00 25.53 N ATOM 0 H GLN A 99 5.850 3.551 -8.437 1.00 30.21 H new ATOM 0 HA GLN A 99 5.964 1.127 -6.828 1.00 73.12 H new ATOM 0 HB2 GLN A 99 5.620 1.308 -9.354 1.00 2.14 H new ATOM 0 HB3 GLN A 99 7.298 1.800 -9.473 1.00 2.14 H new ATOM 0 HG2 GLN A 99 6.506 -0.835 -8.174 1.00 72.11 H new ATOM 0 HG3 GLN A 99 6.707 -0.694 -9.909 1.00 72.11 H new ATOM 0 HE21 GLN A 99 8.209 -2.295 -7.868 1.00 25.53 H new ATOM 0 HE22 GLN A 99 9.903 -1.826 -8.043 1.00 25.53 H new ATOM 1618 N LYS A 100 8.591 3.096 -7.234 1.00 25.23 N ATOM 1619 CA LYS A 100 9.959 3.377 -6.780 1.00 4.32 C ATOM 1620 C LYS A 100 10.000 3.599 -5.258 1.00 54.33 C ATOM 1621 O LYS A 100 10.768 2.940 -4.569 1.00 21.12 O ATOM 1622 CB LYS A 100 10.543 4.610 -7.520 1.00 3.33 C ATOM 1623 CG LYS A 100 12.037 4.902 -7.209 1.00 71.34 C ATOM 1624 CD LYS A 100 12.993 3.775 -7.676 1.00 74.55 C ATOM 1625 CE LYS A 100 13.002 3.586 -9.209 1.00 42.42 C ATOM 1626 NZ LYS A 100 13.473 4.805 -9.929 1.00 35.44 N ATOM 0 H LYS A 100 8.219 3.791 -7.881 1.00 25.23 H new ATOM 0 HA LYS A 100 10.573 2.508 -7.016 1.00 4.32 H new ATOM 0 HB2 LYS A 100 10.432 4.459 -8.594 1.00 3.33 H new ATOM 0 HB3 LYS A 100 9.952 5.488 -7.258 1.00 3.33 H new ATOM 0 HG2 LYS A 100 12.325 5.836 -7.691 1.00 71.34 H new ATOM 0 HG3 LYS A 100 12.156 5.048 -6.135 1.00 71.34 H new ATOM 0 HD2 LYS A 100 14.004 4.001 -7.338 1.00 74.55 H new ATOM 0 HD3 LYS A 100 12.700 2.838 -7.202 1.00 74.55 H new ATOM 0 HE2 LYS A 100 13.646 2.745 -9.465 1.00 42.42 H new ATOM 0 HE3 LYS A 100 11.997 3.333 -9.547 1.00 42.42 H new ATOM 0 HZ1 LYS A 100 13.558 4.597 -10.944 1.00 35.44 H new ATOM 0 HZ2 LYS A 100 12.789 5.576 -9.790 1.00 35.44 H new ATOM 0 HZ3 LYS A 100 14.400 5.092 -9.555 1.00 35.44 H new ATOM 1640 N SER A 101 9.141 4.510 -4.756 1.00 30.34 N ATOM 1641 CA SER A 101 9.139 4.907 -3.338 1.00 54.41 C ATOM 1642 C SER A 101 8.560 3.793 -2.441 1.00 71.15 C ATOM 1643 O SER A 101 9.053 3.598 -1.326 1.00 74.51 O ATOM 1644 CB SER A 101 8.356 6.233 -3.143 1.00 1.31 C ATOM 1645 OG SER A 101 8.404 6.689 -1.798 1.00 35.43 O ATOM 0 H SER A 101 8.436 4.986 -5.319 1.00 30.34 H new ATOM 0 HA SER A 101 10.174 5.069 -3.036 1.00 54.41 H new ATOM 0 HB2 SER A 101 8.770 6.998 -3.800 1.00 1.31 H new ATOM 0 HB3 SER A 101 7.317 6.087 -3.439 1.00 1.31 H new ATOM 0 HG SER A 101 7.521 6.586 -1.386 1.00 35.43 H new ATOM 1651 N LEU A 102 7.521 3.058 -2.919 1.00 63.21 N ATOM 1652 CA LEU A 102 6.878 2.001 -2.094 1.00 2.44 C ATOM 1653 C LEU A 102 7.761 0.717 -2.025 1.00 32.24 C ATOM 1654 O LEU A 102 7.776 0.015 -1.002 1.00 42.41 O ATOM 1655 CB LEU A 102 5.436 1.692 -2.617 1.00 21.40 C ATOM 1656 CG LEU A 102 4.345 1.446 -1.521 1.00 62.25 C ATOM 1657 CD1 LEU A 102 4.106 2.725 -0.690 1.00 4.21 C ATOM 1658 CD2 LEU A 102 3.030 0.922 -2.140 1.00 52.23 C ATOM 0 H LEU A 102 7.119 3.174 -3.849 1.00 63.21 H new ATOM 0 HA LEU A 102 6.785 2.375 -1.074 1.00 2.44 H new ATOM 0 HB2 LEU A 102 5.112 2.524 -3.243 1.00 21.40 H new ATOM 0 HB3 LEU A 102 5.484 0.811 -3.257 1.00 21.40 H new ATOM 0 HG LEU A 102 4.715 0.672 -0.848 1.00 62.25 H new ATOM 0 HD11 LEU A 102 3.344 2.531 0.065 1.00 4.21 H new ATOM 0 HD12 LEU A 102 5.035 3.020 -0.202 1.00 4.21 H new ATOM 0 HD13 LEU A 102 3.770 3.528 -1.346 1.00 4.21 H new ATOM 0 HD21 LEU A 102 2.295 0.762 -1.351 1.00 52.23 H new ATOM 0 HD22 LEU A 102 2.646 1.653 -2.851 1.00 52.23 H new ATOM 0 HD23 LEU A 102 3.220 -0.020 -2.655 1.00 52.23 H new ATOM 1670 N ASN A 103 8.504 0.428 -3.118 1.00 14.24 N ATOM 1671 CA ASN A 103 9.448 -0.722 -3.185 1.00 55.52 C ATOM 1672 C ASN A 103 10.770 -0.377 -2.455 1.00 34.11 C ATOM 1673 O ASN A 103 11.423 -1.264 -1.890 1.00 34.14 O ATOM 1674 CB ASN A 103 9.710 -1.130 -4.664 1.00 15.11 C ATOM 1675 CG ASN A 103 10.588 -2.379 -4.824 1.00 51.21 C ATOM 1676 OD1 ASN A 103 9.976 -3.555 -4.850 1.00 62.55 O flip ATOM 1677 ND2 ASN A 103 11.814 -2.287 -4.926 1.00 60.20 N flip ATOM 0 H ASN A 103 8.470 0.979 -3.976 1.00 14.24 H new ATOM 0 HA ASN A 103 8.996 -1.575 -2.679 1.00 55.52 H new ATOM 0 HB2 ASN A 103 8.753 -1.306 -5.156 1.00 15.11 H new ATOM 0 HB3 ASN A 103 10.185 -0.296 -5.181 1.00 15.11 H new ATOM 0 HD21 ASN A 103 12.260 -1.370 -4.903 1.00 60.20 H new ATOM 0 HD22 ASN A 103 12.381 -3.128 -5.033 1.00 60.20 H new ATOM 1684 N ASN A 104 11.145 0.924 -2.474 1.00 21.05 N ATOM 1685 CA ASN A 104 12.283 1.464 -1.684 1.00 5.24 C ATOM 1686 C ASN A 104 11.957 1.363 -0.185 1.00 35.44 C ATOM 1687 O ASN A 104 12.821 1.029 0.636 1.00 50.41 O ATOM 1688 CB ASN A 104 12.555 2.945 -2.083 1.00 64.35 C ATOM 1689 CG ASN A 104 13.763 3.591 -1.390 1.00 72.51 C ATOM 1690 OD1 ASN A 104 14.751 2.927 -1.081 1.00 61.10 O ATOM 1691 ND2 ASN A 104 13.695 4.897 -1.152 1.00 75.45 N ATOM 0 H ASN A 104 10.669 1.630 -3.036 1.00 21.05 H new ATOM 0 HA ASN A 104 13.180 0.881 -1.894 1.00 5.24 H new ATOM 0 HB2 ASN A 104 12.705 2.994 -3.162 1.00 64.35 H new ATOM 0 HB3 ASN A 104 11.667 3.535 -1.858 1.00 64.35 H new ATOM 0 HD21 ASN A 104 14.476 5.375 -0.702 1.00 75.45 H new ATOM 0 HD22 ASN A 104 12.862 5.421 -1.420 1.00 75.45 H new ATOM 1698 N ALA A 105 10.677 1.633 0.139 1.00 12.41 N ATOM 1699 CA ALA A 105 10.133 1.502 1.494 1.00 34.32 C ATOM 1700 C ALA A 105 10.256 0.048 1.987 1.00 23.02 C ATOM 1701 O ALA A 105 10.749 -0.197 3.097 1.00 62.35 O ATOM 1702 CB ALA A 105 8.672 1.970 1.528 1.00 73.52 C ATOM 0 H ALA A 105 9.989 1.951 -0.544 1.00 12.41 H new ATOM 0 HA ALA A 105 10.711 2.136 2.166 1.00 34.32 H new ATOM 0 HB1 ALA A 105 8.281 1.867 2.540 1.00 73.52 H new ATOM 0 HB2 ALA A 105 8.617 3.015 1.222 1.00 73.52 H new ATOM 0 HB3 ALA A 105 8.079 1.361 0.846 1.00 73.52 H new ATOM 1708 N TYR A 106 9.824 -0.909 1.130 1.00 3.31 N ATOM 1709 CA TYR A 106 9.979 -2.350 1.406 1.00 14.42 C ATOM 1710 C TYR A 106 11.465 -2.688 1.654 1.00 71.44 C ATOM 1711 O TYR A 106 11.774 -3.410 2.598 1.00 60.51 O ATOM 1712 CB TYR A 106 9.424 -3.214 0.232 1.00 2.35 C ATOM 1713 CG TYR A 106 9.262 -4.726 0.547 1.00 70.24 C ATOM 1714 CD1 TYR A 106 10.367 -5.565 0.777 1.00 72.42 C ATOM 1715 CD2 TYR A 106 8.007 -5.320 0.593 1.00 23.34 C ATOM 1716 CE1 TYR A 106 10.218 -6.911 1.044 1.00 52.11 C ATOM 1717 CE2 TYR A 106 7.862 -6.665 0.863 1.00 10.43 C ATOM 1718 CZ TYR A 106 8.963 -7.452 1.085 1.00 22.33 C ATOM 1719 OH TYR A 106 8.802 -8.798 1.350 1.00 25.10 O ATOM 0 H TYR A 106 9.366 -0.704 0.242 1.00 3.31 H new ATOM 0 HA TYR A 106 9.403 -2.584 2.301 1.00 14.42 H new ATOM 0 HB2 TYR A 106 8.454 -2.815 -0.066 1.00 2.35 H new ATOM 0 HB3 TYR A 106 10.090 -3.106 -0.624 1.00 2.35 H new ATOM 0 HD1 TYR A 106 11.361 -5.144 0.744 1.00 72.42 H new ATOM 0 HD2 TYR A 106 7.129 -4.718 0.414 1.00 23.34 H new ATOM 0 HE1 TYR A 106 11.085 -7.531 1.219 1.00 52.11 H new ATOM 0 HE2 TYR A 106 6.875 -7.101 0.900 1.00 10.43 H new ATOM 0 HH TYR A 106 7.848 -9.021 1.344 1.00 25.10 H new ATOM 1729 N GLY A 107 12.360 -2.148 0.793 1.00 31.44 N ATOM 1730 CA GLY A 107 13.801 -2.427 0.868 1.00 71.33 C ATOM 1731 C GLY A 107 14.409 -2.046 2.212 1.00 35.23 C ATOM 1732 O GLY A 107 15.171 -2.822 2.805 1.00 71.20 O ATOM 0 H GLY A 107 12.100 -1.514 0.037 1.00 31.44 H new ATOM 0 HA2 GLY A 107 13.971 -3.488 0.686 1.00 71.33 H new ATOM 0 HA3 GLY A 107 14.313 -1.882 0.075 1.00 71.33 H new ATOM 1736 N ARG A 108 14.018 -0.861 2.713 1.00 24.04 N ATOM 1737 CA ARG A 108 14.461 -0.354 4.020 1.00 2.34 C ATOM 1738 C ARG A 108 13.868 -1.193 5.172 1.00 63.24 C ATOM 1739 O ARG A 108 14.537 -1.415 6.185 1.00 63.24 O ATOM 1740 CB ARG A 108 14.061 1.136 4.186 1.00 64.14 C ATOM 1741 CG ARG A 108 14.764 2.094 3.206 1.00 73.52 C ATOM 1742 CD ARG A 108 14.277 3.545 3.340 1.00 54.32 C ATOM 1743 NE ARG A 108 15.017 4.452 2.442 1.00 41.43 N ATOM 1744 CZ ARG A 108 14.645 5.701 2.122 1.00 32.50 C ATOM 1745 NH1 ARG A 108 13.527 6.227 2.618 1.00 51.01 N ATOM 1746 NH2 ARG A 108 15.407 6.420 1.308 1.00 65.32 N ATOM 0 H ARG A 108 13.386 -0.229 2.222 1.00 24.04 H new ATOM 0 HA ARG A 108 15.547 -0.437 4.061 1.00 2.34 H new ATOM 0 HB2 ARG A 108 12.983 1.227 4.055 1.00 64.14 H new ATOM 0 HB3 ARG A 108 14.286 1.449 5.206 1.00 64.14 H new ATOM 0 HG2 ARG A 108 15.840 2.059 3.379 1.00 73.52 H new ATOM 0 HG3 ARG A 108 14.594 1.751 2.185 1.00 73.52 H new ATOM 0 HD2 ARG A 108 13.212 3.595 3.111 1.00 54.32 H new ATOM 0 HD3 ARG A 108 14.397 3.876 4.372 1.00 54.32 H new ATOM 0 HE ARG A 108 15.882 4.101 2.031 1.00 41.43 H new ATOM 0 HH11 ARG A 108 12.942 5.679 3.249 1.00 51.01 H new ATOM 0 HH12 ARG A 108 13.255 7.178 2.367 1.00 51.01 H new ATOM 0 HH21 ARG A 108 16.267 6.022 0.931 1.00 65.32 H new ATOM 0 HH22 ARG A 108 15.132 7.370 1.059 1.00 65.32 H new ATOM 1760 N LEU A 109 12.599 -1.624 5.018 1.00 5.25 N ATOM 1761 CA LEU A 109 11.878 -2.412 6.054 1.00 63.42 C ATOM 1762 C LEU A 109 12.405 -3.851 6.136 1.00 2.25 C ATOM 1763 O LEU A 109 12.433 -4.457 7.214 1.00 42.22 O ATOM 1764 CB LEU A 109 10.351 -2.376 5.793 1.00 63.22 C ATOM 1765 CG LEU A 109 9.435 -3.061 6.868 1.00 65.42 C ATOM 1766 CD1 LEU A 109 9.656 -2.498 8.294 1.00 33.53 C ATOM 1767 CD2 LEU A 109 7.971 -2.931 6.459 1.00 34.11 C ATOM 0 H LEU A 109 12.044 -1.441 4.182 1.00 5.25 H new ATOM 0 HA LEU A 109 12.066 -1.952 7.024 1.00 63.42 H new ATOM 0 HB2 LEU A 109 10.046 -1.334 5.701 1.00 63.22 H new ATOM 0 HB3 LEU A 109 10.159 -2.850 4.831 1.00 63.22 H new ATOM 0 HG LEU A 109 9.713 -4.114 6.906 1.00 65.42 H new ATOM 0 HD11 LEU A 109 8.995 -3.010 8.994 1.00 33.53 H new ATOM 0 HD12 LEU A 109 10.693 -2.657 8.591 1.00 33.53 H new ATOM 0 HD13 LEU A 109 9.436 -1.431 8.302 1.00 33.53 H new ATOM 0 HD21 LEU A 109 7.340 -3.408 7.209 1.00 34.11 H new ATOM 0 HD22 LEU A 109 7.707 -1.876 6.381 1.00 34.11 H new ATOM 0 HD23 LEU A 109 7.818 -3.416 5.495 1.00 34.11 H new ATOM 1779 N SER A 110 12.861 -4.362 4.989 1.00 3.33 N ATOM 1780 CA SER A 110 13.437 -5.695 4.868 1.00 5.11 C ATOM 1781 C SER A 110 14.896 -5.665 5.352 1.00 12.14 C ATOM 1782 O SER A 110 15.387 -6.663 5.887 1.00 65.05 O ATOM 1783 CB SER A 110 13.345 -6.173 3.392 1.00 44.11 C ATOM 1784 OG SER A 110 13.818 -7.501 3.234 1.00 54.04 O ATOM 0 H SER A 110 12.838 -3.850 4.107 1.00 3.33 H new ATOM 0 HA SER A 110 12.882 -6.399 5.488 1.00 5.11 H new ATOM 0 HB2 SER A 110 12.310 -6.114 3.056 1.00 44.11 H new ATOM 0 HB3 SER A 110 13.925 -5.503 2.757 1.00 44.11 H new ATOM 0 HG SER A 110 13.742 -7.765 2.293 1.00 54.04 H new ATOM 1790 N GLY A 111 15.596 -4.517 5.146 1.00 62.21 N ATOM 1791 CA GLY A 111 17.002 -4.408 5.543 1.00 43.12 C ATOM 1792 C GLY A 111 17.196 -3.946 6.985 1.00 14.25 C ATOM 1793 O GLY A 111 17.700 -4.719 7.800 1.00 33.13 O ATOM 0 H GLY A 111 15.208 -3.677 4.716 1.00 62.21 H new ATOM 0 HA2 GLY A 111 17.484 -5.377 5.413 1.00 43.12 H new ATOM 0 HA3 GLY A 111 17.506 -3.709 4.875 1.00 43.12 H new ATOM 1797 N MET A 112 16.780 -2.703 7.323 1.00 71.25 N ATOM 1798 CA MET A 112 16.889 -2.182 8.714 1.00 51.42 C ATOM 1799 C MET A 112 15.582 -2.328 9.522 1.00 12.11 C ATOM 1800 O MET A 112 15.503 -3.181 10.423 1.00 64.32 O ATOM 1801 CB MET A 112 17.341 -0.681 8.693 1.00 74.04 C ATOM 1802 CG MET A 112 18.848 -0.455 8.893 1.00 31.05 C ATOM 1803 SD MET A 112 19.445 -1.031 10.500 1.00 61.43 S ATOM 1804 CE MET A 112 18.407 -0.099 11.634 1.00 4.14 C ATOM 0 H MET A 112 16.369 -2.044 6.661 1.00 71.25 H new ATOM 0 HA MET A 112 17.639 -2.791 9.218 1.00 51.42 H new ATOM 0 HB2 MET A 112 17.046 -0.241 7.740 1.00 74.04 H new ATOM 0 HB3 MET A 112 16.801 -0.143 9.473 1.00 74.04 H new ATOM 0 HG2 MET A 112 19.395 -0.970 8.103 1.00 31.05 H new ATOM 0 HG3 MET A 112 19.067 0.608 8.791 1.00 31.05 H new ATOM 0 HE1 MET A 112 18.850 -0.115 12.630 1.00 4.14 H new ATOM 0 HE2 MET A 112 18.326 0.932 11.290 1.00 4.14 H new ATOM 0 HE3 MET A 112 17.414 -0.548 11.671 1.00 4.14 H new ATOM 1814 N LEU A 113 14.537 -1.537 9.130 1.00 30.04 N ATOM 1815 CA LEU A 113 13.251 -1.443 9.886 1.00 42.15 C ATOM 1816 C LEU A 113 12.345 -0.318 9.303 1.00 44.44 C ATOM 1817 O LEU A 113 11.486 0.214 10.004 1.00 21.22 O ATOM 1818 CB LEU A 113 13.510 -1.182 11.425 1.00 50.22 C ATOM 1819 CG LEU A 113 12.348 -1.582 12.394 1.00 74.24 C ATOM 1820 CD1 LEU A 113 12.005 -3.078 12.262 1.00 52.14 C ATOM 1821 CD2 LEU A 113 12.661 -1.203 13.862 1.00 40.21 C ATOM 0 H LEU A 113 14.562 -0.955 8.293 1.00 30.04 H new ATOM 0 HA LEU A 113 12.738 -2.399 9.779 1.00 42.15 H new ATOM 0 HB2 LEU A 113 14.406 -1.728 11.720 1.00 50.22 H new ATOM 0 HB3 LEU A 113 13.722 -0.122 11.563 1.00 50.22 H new ATOM 0 HG LEU A 113 11.469 -1.009 12.098 1.00 74.24 H new ATOM 0 HD11 LEU A 113 11.195 -3.327 12.947 1.00 52.14 H new ATOM 0 HD12 LEU A 113 11.694 -3.291 11.239 1.00 52.14 H new ATOM 0 HD13 LEU A 113 12.883 -3.676 12.506 1.00 52.14 H new ATOM 0 HD21 LEU A 113 11.828 -1.499 14.500 1.00 40.21 H new ATOM 0 HD22 LEU A 113 13.566 -1.717 14.186 1.00 40.21 H new ATOM 0 HD23 LEU A 113 12.810 -0.126 13.936 1.00 40.21 H new ATOM 1833 N LEU A 114 12.548 -0.010 7.999 1.00 71.14 N ATOM 1834 CA LEU A 114 11.852 1.064 7.215 1.00 31.51 C ATOM 1835 C LEU A 114 12.520 2.444 7.409 1.00 2.35 C ATOM 1836 O LEU A 114 12.275 3.383 6.634 1.00 4.33 O ATOM 1837 CB LEU A 114 10.302 1.101 7.447 1.00 52.34 C ATOM 1838 CG LEU A 114 9.462 2.125 6.610 1.00 1.23 C ATOM 1839 CD1 LEU A 114 9.663 1.931 5.106 1.00 52.35 C ATOM 1840 CD2 LEU A 114 7.968 2.059 6.968 1.00 13.13 C ATOM 0 H LEU A 114 13.227 -0.518 7.433 1.00 71.14 H new ATOM 0 HA LEU A 114 11.974 0.799 6.165 1.00 31.51 H new ATOM 0 HB2 LEU A 114 9.910 0.104 7.248 1.00 52.34 H new ATOM 0 HB3 LEU A 114 10.126 1.307 8.503 1.00 52.34 H new ATOM 0 HG LEU A 114 9.829 3.118 6.871 1.00 1.23 H new ATOM 0 HD11 LEU A 114 9.063 2.660 4.562 1.00 52.35 H new ATOM 0 HD12 LEU A 114 10.715 2.070 4.859 1.00 52.35 H new ATOM 0 HD13 LEU A 114 9.354 0.924 4.824 1.00 52.35 H new ATOM 0 HD21 LEU A 114 7.418 2.783 6.367 1.00 13.13 H new ATOM 0 HD22 LEU A 114 7.589 1.057 6.766 1.00 13.13 H new ATOM 0 HD23 LEU A 114 7.837 2.290 8.025 1.00 13.13 H new