USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 82 THR OG1 : rot 88:sc= -1.27 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.873 K(o=-2.1,f=-3.7) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-6) USER MOD Set 3.1: A 2 GLN : amide:sc= -0.115 K(o=-0.47,f=-2.2!) USER MOD Set 3.2: A 29 THR OG1 : rot -170:sc= -0.356 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= -2.07! (180deg=-4.83!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 41:sc= -0.382 USER MOD Single : A 31 THR OG1 : rot 131:sc= 0.0101 USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.293! USER MOD Single : A 35 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.7) USER MOD Single : A 37 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -113:sc= -1.36 (180deg=-4.74!) USER MOD Single : A 53 SER OG : rot -64:sc= -0.0712 USER MOD Single : A 57 MET CE :methyl -128:sc= 0 (180deg=-0.244) USER MOD Single : A 60 MET CE :methyl 174:sc= -2.14 (180deg=-2.4) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.01! C(o=-4!,f=-9.1!) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.368 (180deg=-0.603) USER MOD Single : A 71 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.53) USER MOD Single : A 75 MET CE :methyl -164:sc= -0.0218 (180deg=-0.402) USER MOD Single : A 81 MET CE :methyl -143:sc= -5.68! (180deg=-9.25!) USER MOD Single : A 85 SER OG : rot -55:sc= 0.539 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -136:sc= -2.28! USER MOD Single : A 95 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.68) USER MOD Single : A 96 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.7!) USER MOD Single : A 101 TYR OH : rot -116:sc= -1.64! USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= -0.583 (180deg=-0.638) USER MOD Single : A 120 SER OG : rot 87:sc= 0.266 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 122 TYR OH : rot -79:sc= 0.587 USER MOD Single : A 123 GLN : amide:sc= 0.433 K(o=0.43,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.774 0.346 2.497 1.00 53.41 N ATOM 2 CA MET A 1 1.995 -0.115 1.353 1.00 1.23 C ATOM 3 C MET A 1 2.169 -1.616 1.147 1.00 20.11 C ATOM 4 O MET A 1 2.811 -2.291 1.951 1.00 32.24 O ATOM 5 CB MET A 1 2.413 0.637 0.088 1.00 13.32 C ATOM 6 CG MET A 1 3.757 0.194 -0.467 1.00 34.13 C ATOM 7 SD MET A 1 4.641 1.530 -1.294 1.00 24.42 S ATOM 8 CE MET A 1 4.379 1.096 -3.012 1.00 4.31 C ATOM 0 H1 MET A 1 2.131 0.688 3.239 1.00 53.41 H new ATOM 0 H2 MET A 1 3.344 -0.441 2.868 1.00 53.41 H new ATOM 0 H3 MET A 1 3.403 1.119 2.200 1.00 53.41 H new ATOM 0 HA MET A 1 0.943 0.087 1.556 1.00 1.23 H new ATOM 0 HB2 MET A 1 1.649 0.497 -0.677 1.00 13.32 H new ATOM 0 HB3 MET A 1 2.453 1.704 0.306 1.00 13.32 H new ATOM 0 HG2 MET A 1 4.371 -0.194 0.345 1.00 34.13 H new ATOM 0 HG3 MET A 1 3.603 -0.625 -1.170 1.00 34.13 H new ATOM 0 HE1 MET A 1 4.868 1.831 -3.652 1.00 4.31 H new ATOM 0 HE2 MET A 1 4.799 0.109 -3.206 1.00 4.31 H new ATOM 0 HE3 MET A 1 3.310 1.083 -3.225 1.00 4.31 H new ATOM 18 N GLN A 2 1.593 -2.131 0.066 1.00 62.15 N ATOM 19 CA GLN A 2 1.685 -3.553 -0.244 1.00 54.13 C ATOM 20 C GLN A 2 2.853 -3.831 -1.184 1.00 71.32 C ATOM 21 O GLN A 2 2.707 -4.544 -2.178 1.00 11.44 O ATOM 22 CB GLN A 2 0.380 -4.044 -0.874 1.00 31.21 C ATOM 23 CG GLN A 2 -0.049 -3.240 -2.090 1.00 52.14 C ATOM 24 CD GLN A 2 -0.823 -4.070 -3.095 1.00 55.23 C ATOM 25 OE1 GLN A 2 -1.161 -5.225 -2.835 1.00 12.01 O ATOM 26 NE2 GLN A 2 -1.110 -3.484 -4.252 1.00 45.01 N ATOM 0 H GLN A 2 1.058 -1.585 -0.610 1.00 62.15 H new ATOM 0 HA GLN A 2 1.856 -4.092 0.688 1.00 54.13 H new ATOM 0 HB2 GLN A 2 0.496 -5.089 -1.162 1.00 31.21 H new ATOM 0 HB3 GLN A 2 -0.412 -4.006 -0.126 1.00 31.21 H new ATOM 0 HG2 GLN A 2 -0.665 -2.400 -1.767 1.00 52.14 H new ATOM 0 HG3 GLN A 2 0.833 -2.821 -2.573 1.00 52.14 H new ATOM 0 HE21 GLN A 2 -0.810 -2.525 -4.426 1.00 45.01 H new ATOM 0 HE22 GLN A 2 -1.630 -3.993 -4.967 1.00 45.01 H new ATOM 35 N ARG A 3 4.012 -3.264 -0.864 1.00 34.51 N ATOM 36 CA ARG A 3 5.205 -3.450 -1.681 1.00 33.52 C ATOM 37 C ARG A 3 5.646 -4.911 -1.674 1.00 21.11 C ATOM 38 O ARG A 3 6.443 -5.333 -2.510 1.00 61.45 O ATOM 39 CB ARG A 3 6.341 -2.561 -1.172 1.00 54.13 C ATOM 40 CG ARG A 3 7.098 -3.153 0.005 1.00 60.43 C ATOM 41 CD ARG A 3 6.207 -3.287 1.230 1.00 62.31 C ATOM 42 NE ARG A 3 5.653 -2.002 1.647 1.00 71.04 N ATOM 43 CZ ARG A 3 6.376 -1.034 2.198 1.00 41.20 C ATOM 44 NH1 ARG A 3 7.676 -1.204 2.397 1.00 33.25 N ATOM 45 NH2 ARG A 3 5.799 0.108 2.551 1.00 44.14 N ATOM 0 H ARG A 3 4.150 -2.672 -0.045 1.00 34.51 H new ATOM 0 HA ARG A 3 4.962 -3.166 -2.705 1.00 33.52 H new ATOM 0 HB2 ARG A 3 7.041 -2.378 -1.988 1.00 54.13 H new ATOM 0 HB3 ARG A 3 5.931 -1.594 -0.880 1.00 54.13 H new ATOM 0 HG2 ARG A 3 7.491 -4.132 -0.269 1.00 60.43 H new ATOM 0 HG3 ARG A 3 7.954 -2.521 0.243 1.00 60.43 H new ATOM 0 HD2 ARG A 3 5.393 -3.979 1.013 1.00 62.31 H new ATOM 0 HD3 ARG A 3 6.781 -3.718 2.050 1.00 62.31 H new ATOM 0 HE ARG A 3 4.656 -1.839 1.507 1.00 71.04 H new ATOM 0 HH11 ARG A 3 8.123 -2.080 2.127 1.00 33.25 H new ATOM 0 HH12 ARG A 3 8.229 -0.459 2.820 1.00 33.25 H new ATOM 0 HH21 ARG A 3 4.799 0.243 2.399 1.00 44.14 H new ATOM 0 HH22 ARG A 3 6.355 0.851 2.974 1.00 44.14 H new ATOM 59 N GLY A 4 5.122 -5.678 -0.722 1.00 60.04 N ATOM 60 CA GLY A 4 5.474 -7.082 -0.624 1.00 21.52 C ATOM 61 C GLY A 4 4.294 -7.950 -0.234 1.00 20.04 C ATOM 62 O GLY A 4 3.808 -7.877 0.895 1.00 12.54 O ATOM 0 H GLY A 4 4.460 -5.352 -0.018 1.00 60.04 H new ATOM 0 HA2 GLY A 4 5.870 -7.422 -1.581 1.00 21.52 H new ATOM 0 HA3 GLY A 4 6.269 -7.204 0.112 1.00 21.52 H new ATOM 66 N ILE A 5 3.831 -8.772 -1.169 1.00 63.30 N ATOM 67 CA ILE A 5 2.700 -9.657 -0.917 1.00 4.34 C ATOM 68 C ILE A 5 3.143 -10.919 -0.185 1.00 73.50 C ATOM 69 O ILE A 5 4.196 -11.485 -0.481 1.00 14.33 O ATOM 70 CB ILE A 5 1.995 -10.056 -2.226 1.00 12.00 C ATOM 71 CG1 ILE A 5 1.261 -8.853 -2.823 1.00 22.22 C ATOM 72 CG2 ILE A 5 1.027 -11.203 -1.978 1.00 22.54 C ATOM 73 CD1 ILE A 5 0.915 -9.022 -4.286 1.00 12.44 C ATOM 0 H ILE A 5 4.222 -8.844 -2.109 1.00 63.30 H new ATOM 0 HA ILE A 5 1.999 -9.104 -0.291 1.00 4.34 H new ATOM 0 HB ILE A 5 2.748 -10.389 -2.940 1.00 12.00 H new ATOM 0 HG12 ILE A 5 0.345 -8.680 -2.259 1.00 22.22 H new ATOM 0 HG13 ILE A 5 1.881 -7.964 -2.705 1.00 22.22 H new ATOM 0 HG21 ILE A 5 0.536 -11.474 -2.913 1.00 22.54 H new ATOM 0 HG22 ILE A 5 1.574 -12.064 -1.593 1.00 22.54 H new ATOM 0 HG23 ILE A 5 0.276 -10.895 -1.250 1.00 22.54 H new ATOM 0 HD11 ILE A 5 0.397 -8.132 -4.642 1.00 12.44 H new ATOM 0 HD12 ILE A 5 1.829 -9.165 -4.862 1.00 12.44 H new ATOM 0 HD13 ILE A 5 0.269 -9.892 -4.409 1.00 12.44 H new ATOM 85 N VAL A 6 2.330 -11.358 0.771 1.00 71.41 N ATOM 86 CA VAL A 6 2.635 -12.557 1.543 1.00 3.44 C ATOM 87 C VAL A 6 1.538 -13.604 1.391 1.00 54.53 C ATOM 88 O VAL A 6 0.350 -13.286 1.456 1.00 60.21 O ATOM 89 CB VAL A 6 2.814 -12.230 3.038 1.00 30.31 C ATOM 90 CG1 VAL A 6 3.474 -13.393 3.763 1.00 32.25 C ATOM 91 CG2 VAL A 6 3.624 -10.954 3.211 1.00 21.53 C ATOM 0 H VAL A 6 1.455 -10.901 1.029 1.00 71.41 H new ATOM 0 HA VAL A 6 3.570 -12.957 1.151 1.00 3.44 H new ATOM 0 HB VAL A 6 1.830 -12.070 3.478 1.00 30.31 H new ATOM 0 HG11 VAL A 6 3.592 -13.144 4.818 1.00 32.25 H new ATOM 0 HG12 VAL A 6 2.851 -14.282 3.668 1.00 32.25 H new ATOM 0 HG13 VAL A 6 4.453 -13.587 3.324 1.00 32.25 H new ATOM 0 HG21 VAL A 6 3.741 -10.738 4.273 1.00 21.53 H new ATOM 0 HG22 VAL A 6 4.607 -11.082 2.757 1.00 21.53 H new ATOM 0 HG23 VAL A 6 3.106 -10.126 2.727 1.00 21.53 H new ATOM 101 N TRP A 7 1.943 -14.852 1.188 1.00 51.23 N ATOM 102 CA TRP A 7 0.993 -15.947 1.026 1.00 10.21 C ATOM 103 C TRP A 7 1.086 -16.925 2.192 1.00 1.31 C ATOM 104 O TRP A 7 2.179 -17.325 2.594 1.00 52.04 O ATOM 105 CB TRP A 7 1.248 -16.680 -0.292 1.00 53.30 C ATOM 106 CG TRP A 7 0.805 -15.906 -1.497 1.00 21.10 C ATOM 107 CD1 TRP A 7 0.158 -14.704 -1.507 1.00 13.44 C ATOM 108 CD2 TRP A 7 0.976 -16.283 -2.868 1.00 32.04 C ATOM 109 NE1 TRP A 7 -0.084 -14.310 -2.801 1.00 33.33 N ATOM 110 CE2 TRP A 7 0.409 -15.261 -3.654 1.00 74.44 C ATOM 111 CE3 TRP A 7 1.554 -17.383 -3.507 1.00 3.31 C ATOM 112 CZ2 TRP A 7 0.403 -15.310 -5.046 1.00 23.12 C ATOM 113 CZ3 TRP A 7 1.548 -17.430 -4.888 1.00 11.41 C ATOM 114 CH2 TRP A 7 0.976 -16.399 -5.645 1.00 44.53 C ATOM 0 H TRP A 7 2.922 -15.131 1.132 1.00 51.23 H new ATOM 0 HA TRP A 7 -0.012 -15.524 1.010 1.00 10.21 H new ATOM 0 HB2 TRP A 7 2.313 -16.896 -0.379 1.00 53.30 H new ATOM 0 HB3 TRP A 7 0.729 -17.638 -0.273 1.00 53.30 H new ATOM 0 HD1 TRP A 7 -0.123 -14.145 -0.627 1.00 13.44 H new ATOM 0 HE1 TRP A 7 -0.554 -13.449 -3.081 1.00 33.33 H new ATOM 0 HE3 TRP A 7 1.998 -18.182 -2.932 1.00 3.31 H new ATOM 0 HZ2 TRP A 7 -0.038 -14.517 -5.632 1.00 23.12 H new ATOM 0 HZ3 TRP A 7 1.992 -18.276 -5.392 1.00 11.41 H new ATOM 0 HH2 TRP A 7 0.988 -16.465 -6.723 1.00 44.53 H new ATOM 125 N VAL A 8 -0.067 -17.307 2.732 1.00 1.43 N ATOM 126 CA VAL A 8 -0.115 -18.239 3.852 1.00 61.31 C ATOM 127 C VAL A 8 -0.634 -19.603 3.409 1.00 5.14 C ATOM 128 O VAL A 8 -1.498 -19.698 2.538 1.00 43.53 O ATOM 129 CB VAL A 8 -1.008 -17.707 4.988 1.00 1.33 C ATOM 130 CG1 VAL A 8 -1.097 -18.722 6.118 1.00 52.43 C ATOM 131 CG2 VAL A 8 -0.482 -16.374 5.499 1.00 44.34 C ATOM 0 H VAL A 8 -0.980 -16.985 2.412 1.00 1.43 H new ATOM 0 HA VAL A 8 0.905 -18.343 4.221 1.00 61.31 H new ATOM 0 HB VAL A 8 -2.012 -17.549 4.594 1.00 1.33 H new ATOM 0 HG11 VAL A 8 -1.732 -18.328 6.912 1.00 52.43 H new ATOM 0 HG12 VAL A 8 -1.523 -19.651 5.740 1.00 52.43 H new ATOM 0 HG13 VAL A 8 -0.100 -18.915 6.513 1.00 52.43 H new ATOM 0 HG21 VAL A 8 -1.125 -16.013 6.301 1.00 44.34 H new ATOM 0 HG22 VAL A 8 0.532 -16.504 5.877 1.00 44.34 H new ATOM 0 HG23 VAL A 8 -0.476 -15.649 4.685 1.00 44.34 H new ATOM 141 N VAL A 9 -0.100 -20.658 4.017 1.00 74.33 N ATOM 142 CA VAL A 9 -0.510 -22.018 3.687 1.00 73.12 C ATOM 143 C VAL A 9 -0.444 -22.924 4.911 1.00 63.31 C ATOM 144 O VAL A 9 0.567 -23.585 5.153 1.00 54.03 O ATOM 145 CB VAL A 9 0.369 -22.614 2.572 1.00 60.43 C ATOM 146 CG1 VAL A 9 1.843 -22.446 2.906 1.00 3.51 C ATOM 147 CG2 VAL A 9 0.028 -24.081 2.352 1.00 43.41 C ATOM 0 H VAL A 9 0.617 -20.597 4.740 1.00 74.33 H new ATOM 0 HA VAL A 9 -1.540 -21.962 3.336 1.00 73.12 H new ATOM 0 HB VAL A 9 0.167 -22.074 1.647 1.00 60.43 H new ATOM 0 HG11 VAL A 9 2.448 -22.873 2.106 1.00 3.51 H new ATOM 0 HG12 VAL A 9 2.074 -21.386 3.009 1.00 3.51 H new ATOM 0 HG13 VAL A 9 2.065 -22.958 3.842 1.00 3.51 H new ATOM 0 HG21 VAL A 9 0.659 -24.486 1.561 1.00 43.41 H new ATOM 0 HG22 VAL A 9 0.200 -24.637 3.274 1.00 43.41 H new ATOM 0 HG23 VAL A 9 -1.019 -24.172 2.064 1.00 43.41 H new ATOM 157 N ASP A 10 -1.527 -22.951 5.680 1.00 63.02 N ATOM 158 CA ASP A 10 -1.593 -23.778 6.879 1.00 4.12 C ATOM 159 C ASP A 10 -2.863 -24.623 6.887 1.00 4.05 C ATOM 160 O ASP A 10 -3.911 -24.190 6.410 1.00 15.31 O ATOM 161 CB ASP A 10 -1.540 -22.902 8.132 1.00 63.11 C ATOM 162 CG ASP A 10 -0.710 -21.649 7.928 1.00 34.50 C ATOM 163 OD1 ASP A 10 0.355 -21.741 7.282 1.00 75.23 O ATOM 164 OD2 ASP A 10 -1.127 -20.577 8.414 1.00 65.30 O ATOM 0 H ASP A 10 -2.371 -22.410 5.494 1.00 63.02 H new ATOM 0 HA ASP A 10 -0.733 -24.448 6.877 1.00 4.12 H new ATOM 0 HB2 ASP A 10 -2.553 -22.620 8.418 1.00 63.11 H new ATOM 0 HB3 ASP A 10 -1.124 -23.479 8.958 1.00 63.11 H new ATOM 169 N ASP A 11 -2.760 -25.830 7.432 1.00 70.43 N ATOM 170 CA ASP A 11 -3.900 -26.737 7.502 1.00 14.32 C ATOM 171 C ASP A 11 -4.815 -26.369 8.666 1.00 33.43 C ATOM 172 O ASP A 11 -5.856 -26.995 8.872 1.00 2.52 O ATOM 173 CB ASP A 11 -3.422 -28.182 7.650 1.00 40.03 C ATOM 174 CG ASP A 11 -4.182 -29.138 6.751 1.00 10.15 C ATOM 175 OD1 ASP A 11 -4.475 -28.761 5.598 1.00 64.34 O ATOM 176 OD2 ASP A 11 -4.485 -30.262 7.203 1.00 71.53 O ATOM 0 H ASP A 11 -1.899 -26.203 7.832 1.00 70.43 H new ATOM 0 HA ASP A 11 -4.465 -26.643 6.575 1.00 14.32 H new ATOM 0 HB2 ASP A 11 -2.359 -28.236 7.416 1.00 40.03 H new ATOM 0 HB3 ASP A 11 -3.536 -28.495 8.688 1.00 40.03 H new ATOM 181 N ASP A 12 -4.420 -25.353 9.425 1.00 50.03 N ATOM 182 CA ASP A 12 -5.204 -24.902 10.568 1.00 33.15 C ATOM 183 C ASP A 12 -5.887 -23.571 10.269 1.00 61.23 C ATOM 184 O ASP A 12 -5.331 -22.720 9.574 1.00 14.13 O ATOM 185 CB ASP A 12 -4.312 -24.765 11.803 1.00 35.35 C ATOM 186 CG ASP A 12 -4.225 -26.052 12.600 1.00 64.54 C ATOM 187 OD1 ASP A 12 -3.942 -27.107 11.993 1.00 21.45 O ATOM 188 OD2 ASP A 12 -4.438 -26.005 13.829 1.00 43.10 O ATOM 0 H ASP A 12 -3.561 -24.826 9.269 1.00 50.03 H new ATOM 0 HA ASP A 12 -5.974 -25.648 10.766 1.00 33.15 H new ATOM 0 HB2 ASP A 12 -3.311 -24.465 11.493 1.00 35.35 H new ATOM 0 HB3 ASP A 12 -4.700 -23.971 12.441 1.00 35.35 H new ATOM 193 N SER A 13 -7.095 -23.399 10.796 1.00 22.31 N ATOM 194 CA SER A 13 -7.856 -22.174 10.581 1.00 64.01 C ATOM 195 C SER A 13 -7.295 -21.032 11.422 1.00 2.43 C ATOM 196 O SER A 13 -7.035 -19.941 10.914 1.00 11.00 O ATOM 197 CB SER A 13 -9.330 -22.398 10.922 1.00 51.41 C ATOM 198 OG SER A 13 -9.865 -21.289 11.625 1.00 63.42 O ATOM 0 H SER A 13 -7.568 -24.093 11.375 1.00 22.31 H new ATOM 0 HA SER A 13 -7.772 -21.902 9.529 1.00 64.01 H new ATOM 0 HB2 SER A 13 -9.898 -22.560 10.006 1.00 51.41 H new ATOM 0 HB3 SER A 13 -9.434 -23.300 11.525 1.00 51.41 H new ATOM 0 HG SER A 13 -10.809 -21.456 11.830 1.00 63.42 H new ATOM 204 N SER A 14 -7.111 -21.291 12.713 1.00 42.30 N ATOM 205 CA SER A 14 -6.585 -20.284 13.627 1.00 5.13 C ATOM 206 C SER A 14 -5.143 -19.931 13.275 1.00 24.13 C ATOM 207 O SER A 14 -4.642 -18.871 13.651 1.00 11.25 O ATOM 208 CB SER A 14 -6.661 -20.785 15.071 1.00 71.54 C ATOM 209 OG SER A 14 -5.462 -21.440 15.447 1.00 1.24 O ATOM 0 H SER A 14 -7.318 -22.189 13.149 1.00 42.30 H new ATOM 0 HA SER A 14 -7.195 -19.386 13.529 1.00 5.13 H new ATOM 0 HB2 SER A 14 -6.846 -19.946 15.741 1.00 71.54 H new ATOM 0 HB3 SER A 14 -7.502 -21.470 15.178 1.00 71.54 H new ATOM 0 HG SER A 14 -5.535 -21.749 16.374 1.00 1.24 H new ATOM 215 N ILE A 15 -4.481 -20.827 12.552 1.00 63.55 N ATOM 216 CA ILE A 15 -3.097 -20.611 12.148 1.00 70.25 C ATOM 217 C ILE A 15 -3.021 -19.795 10.862 1.00 61.25 C ATOM 218 O ILE A 15 -2.161 -18.926 10.716 1.00 71.33 O ATOM 219 CB ILE A 15 -2.356 -21.945 11.940 1.00 21.33 C ATOM 220 CG1 ILE A 15 -2.353 -22.759 13.236 1.00 4.43 C ATOM 221 CG2 ILE A 15 -0.933 -21.693 11.463 1.00 15.55 C ATOM 222 CD1 ILE A 15 -1.689 -22.047 14.395 1.00 54.24 C ATOM 0 H ILE A 15 -4.880 -21.710 12.234 1.00 63.55 H new ATOM 0 HA ILE A 15 -2.615 -20.059 12.955 1.00 70.25 H new ATOM 0 HB ILE A 15 -2.878 -22.518 11.174 1.00 21.33 H new ATOM 0 HG12 ILE A 15 -3.381 -22.998 13.508 1.00 4.43 H new ATOM 0 HG13 ILE A 15 -1.841 -23.705 13.060 1.00 4.43 H new ATOM 0 HG21 ILE A 15 -0.423 -22.646 11.321 1.00 15.55 H new ATOM 0 HG22 ILE A 15 -0.957 -21.150 10.518 1.00 15.55 H new ATOM 0 HG23 ILE A 15 -0.399 -21.103 12.208 1.00 15.55 H new ATOM 0 HD11 ILE A 15 -1.723 -22.682 15.280 1.00 54.24 H new ATOM 0 HD12 ILE A 15 -0.651 -21.832 14.143 1.00 54.24 H new ATOM 0 HD13 ILE A 15 -2.214 -21.114 14.598 1.00 54.24 H new ATOM 234 N ARG A 16 -3.927 -20.080 9.932 1.00 13.22 N ATOM 235 CA ARG A 16 -3.963 -19.372 8.658 1.00 15.12 C ATOM 236 C ARG A 16 -4.673 -18.029 8.803 1.00 42.44 C ATOM 237 O ARG A 16 -4.438 -17.105 8.023 1.00 11.14 O ATOM 238 CB ARG A 16 -4.668 -20.221 7.598 1.00 24.24 C ATOM 239 CG ARG A 16 -6.175 -20.297 7.781 1.00 24.23 C ATOM 240 CD ARG A 16 -6.816 -21.210 6.748 1.00 40.33 C ATOM 241 NE ARG A 16 -8.152 -20.756 6.371 1.00 32.23 N ATOM 242 CZ ARG A 16 -8.912 -21.373 5.473 1.00 64.13 C ATOM 243 NH1 ARG A 16 -8.469 -22.463 4.862 1.00 22.41 N ATOM 244 NH2 ARG A 16 -10.117 -20.900 5.184 1.00 50.52 N ATOM 0 H ARG A 16 -4.646 -20.796 10.037 1.00 13.22 H new ATOM 0 HA ARG A 16 -2.936 -19.189 8.343 1.00 15.12 H new ATOM 0 HB2 ARG A 16 -4.451 -19.810 6.612 1.00 24.24 H new ATOM 0 HB3 ARG A 16 -4.257 -21.230 7.620 1.00 24.24 H new ATOM 0 HG2 ARG A 16 -6.403 -20.662 8.782 1.00 24.23 H new ATOM 0 HG3 ARG A 16 -6.603 -19.298 7.701 1.00 24.23 H new ATOM 0 HD2 ARG A 16 -6.184 -21.254 5.861 1.00 40.33 H new ATOM 0 HD3 ARG A 16 -6.876 -22.223 7.147 1.00 40.33 H new ATOM 0 HE ARG A 16 -8.522 -19.919 6.822 1.00 32.23 H new ATOM 0 HH11 ARG A 16 -7.543 -22.830 5.081 1.00 22.41 H new ATOM 0 HH12 ARG A 16 -9.054 -22.935 4.173 1.00 22.41 H new ATOM 0 HH21 ARG A 16 -10.461 -20.061 5.651 1.00 50.52 H new ATOM 0 HH22 ARG A 16 -10.699 -21.375 4.494 1.00 50.52 H new ATOM 258 N TRP A 17 -5.540 -17.928 9.803 1.00 33.41 N ATOM 259 CA TRP A 17 -6.284 -16.698 10.049 1.00 33.20 C ATOM 260 C TRP A 17 -5.383 -15.629 10.658 1.00 71.55 C ATOM 261 O TRP A 17 -5.267 -14.525 10.126 1.00 14.02 O ATOM 262 CB TRP A 17 -7.470 -16.972 10.976 1.00 2.40 C ATOM 263 CG TRP A 17 -8.054 -15.728 11.576 1.00 24.40 C ATOM 264 CD1 TRP A 17 -8.951 -14.880 10.993 1.00 74.52 C ATOM 265 CD2 TRP A 17 -7.779 -15.193 12.875 1.00 25.01 C ATOM 266 NE1 TRP A 17 -9.251 -13.850 11.851 1.00 20.12 N ATOM 267 CE2 TRP A 17 -8.545 -14.019 13.013 1.00 72.31 C ATOM 268 CE3 TRP A 17 -6.961 -15.592 13.936 1.00 51.20 C ATOM 269 CZ2 TRP A 17 -8.516 -13.243 14.168 1.00 3.30 C ATOM 270 CZ3 TRP A 17 -6.933 -14.820 15.082 1.00 43.33 C ATOM 271 CH2 TRP A 17 -7.706 -13.657 15.191 1.00 54.41 C ATOM 0 H TRP A 17 -5.746 -18.683 10.457 1.00 33.41 H new ATOM 0 HA TRP A 17 -6.656 -16.331 9.093 1.00 33.20 H new ATOM 0 HB2 TRP A 17 -8.245 -17.496 10.417 1.00 2.40 H new ATOM 0 HB3 TRP A 17 -7.150 -17.638 11.777 1.00 2.40 H new ATOM 0 HD1 TRP A 17 -9.364 -15.001 10.003 1.00 74.52 H new ATOM 0 HE1 TRP A 17 -9.895 -13.084 11.655 1.00 20.12 H new ATOM 0 HE3 TRP A 17 -6.362 -16.487 13.862 1.00 51.20 H new ATOM 0 HZ2 TRP A 17 -9.111 -12.346 14.254 1.00 3.30 H new ATOM 0 HZ3 TRP A 17 -6.304 -15.119 15.908 1.00 43.33 H new ATOM 0 HH2 TRP A 17 -7.662 -13.075 16.100 1.00 54.41 H new ATOM 282 N VAL A 18 -4.746 -15.965 11.775 1.00 43.22 N ATOM 283 CA VAL A 18 -3.853 -15.034 12.455 1.00 53.52 C ATOM 284 C VAL A 18 -2.902 -14.365 11.469 1.00 63.21 C ATOM 285 O VAL A 18 -2.753 -13.142 11.464 1.00 74.41 O ATOM 286 CB VAL A 18 -3.030 -15.742 13.547 1.00 44.52 C ATOM 287 CG1 VAL A 18 -3.883 -15.994 14.780 1.00 11.34 C ATOM 288 CG2 VAL A 18 -2.448 -17.043 13.015 1.00 13.05 C ATOM 0 H VAL A 18 -4.832 -16.875 12.228 1.00 43.22 H new ATOM 0 HA VAL A 18 -4.482 -14.275 12.920 1.00 53.52 H new ATOM 0 HB VAL A 18 -2.204 -15.092 13.834 1.00 44.52 H new ATOM 0 HG11 VAL A 18 -3.284 -16.495 15.541 1.00 11.34 H new ATOM 0 HG12 VAL A 18 -4.246 -15.044 15.172 1.00 11.34 H new ATOM 0 HG13 VAL A 18 -4.731 -16.624 14.513 1.00 11.34 H new ATOM 0 HG21 VAL A 18 -1.869 -17.530 13.800 1.00 13.05 H new ATOM 0 HG22 VAL A 18 -3.257 -17.701 12.699 1.00 13.05 H new ATOM 0 HG23 VAL A 18 -1.800 -16.831 12.165 1.00 13.05 H new ATOM 298 N LEU A 19 -2.259 -15.175 10.635 1.00 41.45 N ATOM 299 CA LEU A 19 -1.321 -14.662 9.642 1.00 63.00 C ATOM 300 C LEU A 19 -2.019 -13.718 8.669 1.00 74.24 C ATOM 301 O LEU A 19 -1.439 -12.728 8.225 1.00 63.21 O ATOM 302 CB LEU A 19 -0.676 -15.818 8.875 1.00 35.43 C ATOM 303 CG LEU A 19 0.474 -16.535 9.583 1.00 1.42 C ATOM 304 CD1 LEU A 19 0.872 -17.788 8.820 1.00 24.42 C ATOM 305 CD2 LEU A 19 1.667 -15.602 9.740 1.00 35.43 C ATOM 0 H LEU A 19 -2.370 -16.189 10.626 1.00 41.45 H new ATOM 0 HA LEU A 19 -0.545 -14.104 10.166 1.00 63.00 H new ATOM 0 HB2 LEU A 19 -1.449 -16.552 8.646 1.00 35.43 H new ATOM 0 HB3 LEU A 19 -0.308 -15.435 7.923 1.00 35.43 H new ATOM 0 HG LEU A 19 0.136 -16.832 10.576 1.00 1.42 H new ATOM 0 HD11 LEU A 19 1.692 -18.285 9.339 1.00 24.42 H new ATOM 0 HD12 LEU A 19 0.019 -18.463 8.759 1.00 24.42 H new ATOM 0 HD13 LEU A 19 1.191 -17.515 7.814 1.00 24.42 H new ATOM 0 HD21 LEU A 19 2.476 -16.128 10.246 1.00 35.43 H new ATOM 0 HD22 LEU A 19 2.005 -15.275 8.757 1.00 35.43 H new ATOM 0 HD23 LEU A 19 1.374 -14.733 10.330 1.00 35.43 H new ATOM 317 N GLU A 20 -3.270 -14.031 8.343 1.00 63.30 N ATOM 318 CA GLU A 20 -4.047 -13.210 7.423 1.00 15.42 C ATOM 319 C GLU A 20 -4.237 -11.801 7.979 1.00 23.01 C ATOM 320 O GLU A 20 -4.162 -10.817 7.243 1.00 1.23 O ATOM 321 CB GLU A 20 -5.410 -13.852 7.158 1.00 75.31 C ATOM 322 CG GLU A 20 -5.795 -13.880 5.688 1.00 2.21 C ATOM 323 CD GLU A 20 -7.169 -14.477 5.455 1.00 22.44 C ATOM 324 OE1 GLU A 20 -7.830 -14.850 6.447 1.00 61.41 O ATOM 325 OE2 GLU A 20 -7.583 -14.572 4.281 1.00 41.41 O ATOM 0 H GLU A 20 -3.766 -14.847 8.703 1.00 63.30 H new ATOM 0 HA GLU A 20 -3.497 -13.142 6.485 1.00 15.42 H new ATOM 0 HB2 GLU A 20 -5.402 -14.872 7.542 1.00 75.31 H new ATOM 0 HB3 GLU A 20 -6.173 -13.307 7.714 1.00 75.31 H new ATOM 0 HG2 GLU A 20 -5.772 -12.865 5.291 1.00 2.21 H new ATOM 0 HG3 GLU A 20 -5.054 -14.456 5.133 1.00 2.21 H new ATOM 332 N ARG A 21 -4.483 -11.714 9.282 1.00 4.32 N ATOM 333 CA ARG A 21 -4.684 -10.427 9.937 1.00 55.20 C ATOM 334 C ARG A 21 -3.370 -9.659 10.044 1.00 71.02 C ATOM 335 O ARG A 21 -3.337 -8.440 9.882 1.00 14.55 O ATOM 336 CB ARG A 21 -5.285 -10.628 11.330 1.00 43.23 C ATOM 337 CG ARG A 21 -6.367 -11.694 11.378 1.00 0.24 C ATOM 338 CD ARG A 21 -7.412 -11.476 10.296 1.00 72.45 C ATOM 339 NE ARG A 21 -7.825 -10.078 10.206 1.00 30.41 N ATOM 340 CZ ARG A 21 -8.464 -9.566 9.160 1.00 33.33 C ATOM 341 NH1 ARG A 21 -8.763 -10.333 8.121 1.00 63.41 N ATOM 342 NH2 ARG A 21 -8.807 -8.284 9.153 1.00 21.41 N ATOM 0 H ARG A 21 -4.548 -12.519 9.905 1.00 4.32 H new ATOM 0 HA ARG A 21 -5.377 -9.844 9.330 1.00 55.20 H new ATOM 0 HB2 ARG A 21 -4.489 -10.898 12.024 1.00 43.23 H new ATOM 0 HB3 ARG A 21 -5.703 -9.683 11.676 1.00 43.23 H new ATOM 0 HG2 ARG A 21 -5.915 -12.678 11.256 1.00 0.24 H new ATOM 0 HG3 ARG A 21 -6.847 -11.683 12.357 1.00 0.24 H new ATOM 0 HD2 ARG A 21 -7.011 -11.798 9.335 1.00 72.45 H new ATOM 0 HD3 ARG A 21 -8.283 -12.098 10.503 1.00 72.45 H new ATOM 0 HE ARG A 21 -7.611 -9.461 10.989 1.00 30.41 H new ATOM 0 HH11 ARG A 21 -8.502 -11.319 8.123 1.00 63.41 H new ATOM 0 HH12 ARG A 21 -9.254 -9.937 7.319 1.00 63.41 H new ATOM 0 HH21 ARG A 21 -8.580 -7.691 9.951 1.00 21.41 H new ATOM 0 HH22 ARG A 21 -9.298 -7.892 8.349 1.00 21.41 H new ATOM 356 N ALA A 22 -2.289 -10.382 10.317 1.00 30.02 N ATOM 357 CA ALA A 22 -0.972 -9.770 10.444 1.00 14.51 C ATOM 358 C ALA A 22 -0.658 -8.889 9.239 1.00 30.32 C ATOM 359 O ALA A 22 -0.089 -7.806 9.380 1.00 14.24 O ATOM 360 CB ALA A 22 0.095 -10.841 10.610 1.00 74.52 C ATOM 0 H ALA A 22 -2.299 -11.393 10.455 1.00 30.02 H new ATOM 0 HA ALA A 22 -0.977 -9.138 11.332 1.00 14.51 H new ATOM 0 HB1 ALA A 22 1.073 -10.369 10.704 1.00 74.52 H new ATOM 0 HB2 ALA A 22 -0.113 -11.426 11.506 1.00 74.52 H new ATOM 0 HB3 ALA A 22 0.091 -11.497 9.739 1.00 74.52 H new ATOM 366 N LEU A 23 -1.030 -9.361 8.055 1.00 74.24 N ATOM 367 CA LEU A 23 -0.787 -8.617 6.824 1.00 54.23 C ATOM 368 C LEU A 23 -1.869 -7.564 6.601 1.00 23.25 C ATOM 369 O LEU A 23 -1.595 -6.477 6.094 1.00 75.14 O ATOM 370 CB LEU A 23 -0.735 -9.571 5.629 1.00 13.13 C ATOM 371 CG LEU A 23 -0.018 -10.901 5.863 1.00 2.23 C ATOM 372 CD1 LEU A 23 -0.360 -11.893 4.763 1.00 34.10 C ATOM 373 CD2 LEU A 23 1.487 -10.688 5.943 1.00 70.23 C ATOM 0 H LEU A 23 -1.501 -10.256 7.921 1.00 74.24 H new ATOM 0 HA LEU A 23 0.174 -8.111 6.919 1.00 54.23 H new ATOM 0 HB2 LEU A 23 -1.757 -9.782 5.314 1.00 13.13 H new ATOM 0 HB3 LEU A 23 -0.246 -9.058 4.801 1.00 13.13 H new ATOM 0 HG LEU A 23 -0.358 -11.313 6.813 1.00 2.23 H new ATOM 0 HD11 LEU A 23 0.160 -12.833 4.947 1.00 34.10 H new ATOM 0 HD12 LEU A 23 -1.436 -12.069 4.753 1.00 34.10 H new ATOM 0 HD13 LEU A 23 -0.049 -11.489 3.799 1.00 34.10 H new ATOM 0 HD21 LEU A 23 1.982 -11.645 6.110 1.00 70.23 H new ATOM 0 HD22 LEU A 23 1.843 -10.253 5.009 1.00 70.23 H new ATOM 0 HD23 LEU A 23 1.716 -10.013 6.768 1.00 70.23 H new ATOM 385 N ALA A 24 -3.097 -7.894 6.987 1.00 22.34 N ATOM 386 CA ALA A 24 -4.218 -6.976 6.834 1.00 34.02 C ATOM 387 C ALA A 24 -3.892 -5.607 7.422 1.00 65.33 C ATOM 388 O ALA A 24 -4.130 -4.578 6.792 1.00 11.32 O ATOM 389 CB ALA A 24 -5.465 -7.551 7.491 1.00 5.35 C ATOM 0 H ALA A 24 -3.340 -8.791 7.408 1.00 22.34 H new ATOM 0 HA ALA A 24 -4.408 -6.849 5.768 1.00 34.02 H new ATOM 0 HB1 ALA A 24 -6.295 -6.855 7.369 1.00 5.35 H new ATOM 0 HB2 ALA A 24 -5.718 -8.502 7.022 1.00 5.35 H new ATOM 0 HB3 ALA A 24 -5.277 -7.709 8.553 1.00 5.35 H new ATOM 395 N GLY A 25 -3.344 -5.604 8.634 1.00 52.24 N ATOM 396 CA GLY A 25 -2.994 -4.355 9.286 1.00 75.51 C ATOM 397 C GLY A 25 -1.612 -3.868 8.901 1.00 50.52 C ATOM 398 O GLY A 25 -1.271 -2.707 9.126 1.00 11.21 O ATOM 0 H GLY A 25 -3.136 -6.443 9.175 1.00 52.24 H new ATOM 0 HA2 GLY A 25 -3.730 -3.594 9.025 1.00 75.51 H new ATOM 0 HA3 GLY A 25 -3.041 -4.487 10.367 1.00 75.51 H new ATOM 402 N ALA A 26 -0.813 -4.756 8.320 1.00 71.44 N ATOM 403 CA ALA A 26 0.540 -4.410 7.902 1.00 12.32 C ATOM 404 C ALA A 26 0.531 -3.676 6.565 1.00 31.14 C ATOM 405 O ALA A 26 1.527 -3.070 6.172 1.00 72.51 O ATOM 406 CB ALA A 26 1.402 -5.660 7.814 1.00 32.43 C ATOM 0 H ALA A 26 -1.079 -5.722 8.128 1.00 71.44 H new ATOM 0 HA ALA A 26 0.965 -3.742 8.651 1.00 12.32 H new ATOM 0 HB1 ALA A 26 2.409 -5.386 7.501 1.00 32.43 H new ATOM 0 HB2 ALA A 26 1.444 -6.142 8.791 1.00 32.43 H new ATOM 0 HB3 ALA A 26 0.971 -6.349 7.087 1.00 32.43 H new ATOM 412 N GLY A 27 -0.601 -3.735 5.870 1.00 31.43 N ATOM 413 CA GLY A 27 -0.718 -3.073 4.584 1.00 4.04 C ATOM 414 C GLY A 27 -0.199 -3.926 3.444 1.00 40.03 C ATOM 415 O GLY A 27 0.265 -3.404 2.429 1.00 12.21 O ATOM 0 H GLY A 27 -1.439 -4.230 6.175 1.00 31.43 H new ATOM 0 HA2 GLY A 27 -1.763 -2.824 4.401 1.00 4.04 H new ATOM 0 HA3 GLY A 27 -0.166 -2.133 4.611 1.00 4.04 H new ATOM 419 N LEU A 28 -0.275 -5.242 3.609 1.00 12.21 N ATOM 420 CA LEU A 28 0.192 -6.170 2.585 1.00 0.02 C ATOM 421 C LEU A 28 -0.864 -7.230 2.289 1.00 63.22 C ATOM 422 O LEU A 28 -1.521 -7.739 3.197 1.00 15.13 O ATOM 423 CB LEU A 28 1.493 -6.840 3.031 1.00 12.15 C ATOM 424 CG LEU A 28 2.293 -6.103 4.106 1.00 43.45 C ATOM 425 CD1 LEU A 28 3.431 -6.973 4.615 1.00 64.41 C ATOM 426 CD2 LEU A 28 2.829 -4.786 3.562 1.00 72.11 C ATOM 0 H LEU A 28 -0.656 -5.691 4.442 1.00 12.21 H new ATOM 0 HA LEU A 28 0.377 -5.603 1.673 1.00 0.02 H new ATOM 0 HB2 LEU A 28 1.256 -7.837 3.402 1.00 12.15 H new ATOM 0 HB3 LEU A 28 2.130 -6.969 2.156 1.00 12.15 H new ATOM 0 HG LEU A 28 1.628 -5.885 4.942 1.00 43.45 H new ATOM 0 HD11 LEU A 28 3.989 -6.432 5.379 1.00 64.41 H new ATOM 0 HD12 LEU A 28 3.025 -7.890 5.043 1.00 64.41 H new ATOM 0 HD13 LEU A 28 4.096 -7.222 3.788 1.00 64.41 H new ATOM 0 HD21 LEU A 28 3.396 -4.275 4.340 1.00 72.11 H new ATOM 0 HD22 LEU A 28 3.479 -4.982 2.709 1.00 72.11 H new ATOM 0 HD23 LEU A 28 1.997 -4.157 3.247 1.00 72.11 H new ATOM 438 N THR A 29 -1.020 -7.562 1.011 1.00 41.53 N ATOM 439 CA THR A 29 -1.994 -8.562 0.594 1.00 14.11 C ATOM 440 C THR A 29 -1.852 -9.842 1.410 1.00 42.40 C ATOM 441 O THR A 29 -0.786 -10.124 1.958 1.00 3.12 O ATOM 442 CB THR A 29 -1.847 -8.901 -0.901 1.00 53.13 C ATOM 443 OG1 THR A 29 -1.694 -7.698 -1.663 1.00 63.44 O ATOM 444 CG2 THR A 29 -3.058 -9.674 -1.403 1.00 2.24 C ATOM 0 H THR A 29 -0.483 -7.152 0.247 1.00 41.53 H new ATOM 0 HA THR A 29 -2.981 -8.132 0.766 1.00 14.11 H new ATOM 0 HB THR A 29 -0.961 -9.524 -1.024 1.00 53.13 H new ATOM 0 HG1 THR A 29 -1.759 -7.905 -2.619 1.00 63.44 H new ATOM 0 HG21 THR A 29 -2.931 -9.902 -2.461 1.00 2.24 H new ATOM 0 HG22 THR A 29 -3.155 -10.603 -0.841 1.00 2.24 H new ATOM 0 HG23 THR A 29 -3.956 -9.072 -1.267 1.00 2.24 H new ATOM 452 N CYS A 30 -2.931 -10.612 1.486 1.00 60.40 N ATOM 453 CA CYS A 30 -2.926 -11.864 2.236 1.00 43.51 C ATOM 454 C CYS A 30 -3.732 -12.936 1.510 1.00 1.22 C ATOM 455 O CYS A 30 -4.932 -12.780 1.284 1.00 14.34 O ATOM 456 CB CYS A 30 -3.493 -11.644 3.639 1.00 52.31 C ATOM 457 SG CYS A 30 -5.050 -10.724 3.670 1.00 63.11 S ATOM 0 H CYS A 30 -3.821 -10.392 1.038 1.00 60.40 H new ATOM 0 HA CYS A 30 -1.894 -12.206 2.319 1.00 43.51 H new ATOM 0 HB2 CYS A 30 -3.647 -12.613 4.113 1.00 52.31 H new ATOM 0 HB3 CYS A 30 -2.755 -11.109 4.238 1.00 52.31 H new ATOM 0 HG CYS A 30 -5.811 -11.126 2.696 1.00 63.11 H new ATOM 463 N THR A 31 -3.064 -14.026 1.145 1.00 43.51 N ATOM 464 CA THR A 31 -3.717 -15.123 0.442 1.00 4.31 C ATOM 465 C THR A 31 -3.486 -16.449 1.158 1.00 51.32 C ATOM 466 O THR A 31 -2.363 -16.950 1.212 1.00 24.24 O ATOM 467 CB THR A 31 -3.211 -15.241 -1.008 1.00 53.53 C ATOM 468 OG1 THR A 31 -3.269 -13.963 -1.652 1.00 60.05 O ATOM 469 CG2 THR A 31 -4.042 -16.247 -1.791 1.00 1.44 C ATOM 0 H THR A 31 -2.071 -14.172 1.325 1.00 43.51 H new ATOM 0 HA THR A 31 -4.784 -14.900 0.430 1.00 4.31 H new ATOM 0 HB THR A 31 -2.178 -15.588 -0.982 1.00 53.53 H new ATOM 0 HG1 THR A 31 -2.411 -13.776 -2.087 1.00 60.05 H new ATOM 0 HG21 THR A 31 -3.666 -16.313 -2.812 1.00 1.44 H new ATOM 0 HG22 THR A 31 -3.973 -17.225 -1.315 1.00 1.44 H new ATOM 0 HG23 THR A 31 -5.083 -15.924 -1.808 1.00 1.44 H new ATOM 477 N THR A 32 -4.557 -17.014 1.706 1.00 32.11 N ATOM 478 CA THR A 32 -4.471 -18.282 2.419 1.00 34.32 C ATOM 479 C THR A 32 -5.025 -19.426 1.576 1.00 4.52 C ATOM 480 O THR A 32 -6.143 -19.350 1.067 1.00 50.00 O ATOM 481 CB THR A 32 -5.236 -18.228 3.755 1.00 22.34 C ATOM 482 OG1 THR A 32 -6.647 -18.233 3.513 1.00 71.30 O ATOM 483 CG2 THR A 32 -4.856 -16.985 4.546 1.00 34.30 C ATOM 0 H THR A 32 -5.494 -16.613 1.670 1.00 32.11 H new ATOM 0 HA THR A 32 -3.415 -18.460 2.620 1.00 34.32 H new ATOM 0 HB THR A 32 -4.966 -19.108 4.339 1.00 22.34 H new ATOM 0 HG1 THR A 32 -6.822 -18.565 2.608 1.00 71.30 H new ATOM 0 HG21 THR A 32 -5.409 -16.968 5.485 1.00 34.30 H new ATOM 0 HG22 THR A 32 -3.786 -16.999 4.755 1.00 34.30 H new ATOM 0 HG23 THR A 32 -5.101 -16.095 3.965 1.00 34.30 H new ATOM 491 N PHE A 33 -4.235 -20.485 1.433 1.00 41.32 N ATOM 492 CA PHE A 33 -4.646 -21.645 0.651 1.00 52.34 C ATOM 493 C PHE A 33 -5.112 -22.777 1.561 1.00 30.11 C ATOM 494 O PHE A 33 -6.265 -22.807 1.991 1.00 63.24 O ATOM 495 CB PHE A 33 -3.493 -22.126 -0.232 1.00 23.21 C ATOM 496 CG PHE A 33 -3.119 -21.153 -1.313 1.00 62.44 C ATOM 497 CD1 PHE A 33 -2.426 -19.992 -1.010 1.00 33.32 C ATOM 498 CD2 PHE A 33 -3.459 -21.400 -2.634 1.00 33.15 C ATOM 499 CE1 PHE A 33 -2.082 -19.095 -2.003 1.00 62.11 C ATOM 500 CE2 PHE A 33 -3.117 -20.507 -3.631 1.00 51.22 C ATOM 501 CZ PHE A 33 -2.426 -19.353 -3.315 1.00 75.25 C ATOM 0 H PHE A 33 -3.307 -20.564 1.848 1.00 41.32 H new ATOM 0 HA PHE A 33 -5.480 -21.347 0.016 1.00 52.34 H new ATOM 0 HB2 PHE A 33 -2.621 -22.314 0.394 1.00 23.21 H new ATOM 0 HB3 PHE A 33 -3.768 -23.076 -0.689 1.00 23.21 H new ATOM 0 HD1 PHE A 33 -2.152 -19.786 0.014 1.00 33.32 H new ATOM 0 HD2 PHE A 33 -3.998 -22.301 -2.887 1.00 33.15 H new ATOM 0 HE1 PHE A 33 -1.544 -18.192 -1.753 1.00 62.11 H new ATOM 0 HE2 PHE A 33 -3.389 -20.711 -4.656 1.00 51.22 H new ATOM 0 HZ PHE A 33 -2.156 -18.654 -4.093 1.00 75.25 H new ATOM 511 N GLU A 34 -4.207 -23.707 1.850 1.00 43.21 N ATOM 512 CA GLU A 34 -4.525 -24.842 2.708 1.00 53.02 C ATOM 513 C GLU A 34 -3.361 -25.827 2.762 1.00 2.31 C ATOM 514 O GLU A 34 -2.909 -26.210 3.840 1.00 64.51 O ATOM 515 CB GLU A 34 -5.785 -25.552 2.206 1.00 45.53 C ATOM 516 CG GLU A 34 -5.816 -25.742 0.698 1.00 10.45 C ATOM 517 CD GLU A 34 -7.168 -26.210 0.198 1.00 55.03 C ATOM 518 OE1 GLU A 34 -7.400 -27.437 0.175 1.00 25.22 O ATOM 519 OE2 GLU A 34 -7.995 -25.350 -0.172 1.00 33.43 O ATOM 0 H GLU A 34 -3.248 -23.697 1.502 1.00 43.21 H new ATOM 0 HA GLU A 34 -4.705 -24.464 3.714 1.00 53.02 H new ATOM 0 HB2 GLU A 34 -5.859 -26.527 2.688 1.00 45.53 H new ATOM 0 HB3 GLU A 34 -6.661 -24.978 2.510 1.00 45.53 H new ATOM 0 HG2 GLU A 34 -5.558 -24.801 0.211 1.00 10.45 H new ATOM 0 HG3 GLU A 34 -5.055 -26.468 0.411 1.00 10.45 H new ATOM 526 N ASN A 35 -2.881 -26.232 1.591 1.00 41.33 N ATOM 527 CA ASN A 35 -1.770 -27.173 1.504 1.00 50.41 C ATOM 528 C ASN A 35 -0.611 -26.575 0.711 1.00 15.24 C ATOM 529 O ASN A 35 -0.810 -25.715 -0.146 1.00 73.42 O ATOM 530 CB ASN A 35 -2.230 -28.478 0.851 1.00 44.32 C ATOM 531 CG ASN A 35 -3.738 -28.554 0.710 1.00 43.10 C ATOM 532 OD1 ASN A 35 -4.469 -28.472 1.697 1.00 53.14 O ATOM 533 ND2 ASN A 35 -4.209 -28.712 -0.521 1.00 55.13 N ATOM 0 H ASN A 35 -3.244 -25.923 0.689 1.00 41.33 H new ATOM 0 HA ASN A 35 -1.424 -27.383 2.516 1.00 50.41 H new ATOM 0 HB2 ASN A 35 -1.771 -28.570 -0.133 1.00 44.32 H new ATOM 0 HB3 ASN A 35 -1.881 -29.322 1.446 1.00 44.32 H new ATOM 0 HD21 ASN A 35 -5.215 -28.770 -0.679 1.00 55.13 H new ATOM 0 HD22 ASN A 35 -3.565 -28.775 -1.309 1.00 55.13 H new ATOM 540 N GLY A 36 0.600 -27.037 1.005 1.00 43.01 N ATOM 541 CA GLY A 36 1.773 -26.537 0.311 1.00 31.51 C ATOM 542 C GLY A 36 1.685 -26.732 -1.190 1.00 25.54 C ATOM 543 O GLY A 36 2.091 -25.863 -1.960 1.00 23.23 O ATOM 0 H GLY A 36 0.790 -27.748 1.711 1.00 43.01 H new ATOM 0 HA2 GLY A 36 1.896 -25.476 0.530 1.00 31.51 H new ATOM 0 HA3 GLY A 36 2.660 -27.046 0.689 1.00 31.51 H new ATOM 547 N ASN A 37 1.156 -27.878 -1.606 1.00 74.11 N ATOM 548 CA ASN A 37 1.019 -28.186 -3.025 1.00 55.51 C ATOM 549 C ASN A 37 0.149 -27.146 -3.725 1.00 42.35 C ATOM 550 O ASN A 37 0.194 -27.007 -4.947 1.00 40.13 O ATOM 551 CB ASN A 37 0.415 -29.579 -3.210 1.00 62.32 C ATOM 552 CG ASN A 37 -0.142 -29.787 -4.605 1.00 73.31 C ATOM 553 OD1 ASN A 37 -1.345 -29.652 -4.832 1.00 21.34 O ATOM 554 ND2 ASN A 37 0.732 -30.118 -5.548 1.00 60.32 N ATOM 0 H ASN A 37 0.815 -28.609 -0.981 1.00 74.11 H new ATOM 0 HA ASN A 37 2.012 -28.165 -3.473 1.00 55.51 H new ATOM 0 HB2 ASN A 37 1.177 -30.332 -3.010 1.00 62.32 H new ATOM 0 HB3 ASN A 37 -0.379 -29.728 -2.479 1.00 62.32 H new ATOM 0 HD21 ASN A 37 0.416 -30.271 -6.506 1.00 60.32 H new ATOM 0 HD22 ASN A 37 1.720 -30.219 -5.315 1.00 60.32 H new ATOM 561 N GLU A 38 -0.640 -26.418 -2.942 1.00 13.40 N ATOM 562 CA GLU A 38 -1.520 -25.391 -3.488 1.00 1.53 C ATOM 563 C GLU A 38 -0.780 -24.065 -3.639 1.00 2.41 C ATOM 564 O GLU A 38 -1.257 -23.147 -4.307 1.00 63.33 O ATOM 565 CB GLU A 38 -2.743 -25.205 -2.588 1.00 13.42 C ATOM 566 CG GLU A 38 -4.039 -25.005 -3.356 1.00 31.22 C ATOM 567 CD GLU A 38 -5.255 -24.971 -2.450 1.00 62.20 C ATOM 568 OE1 GLU A 38 -5.551 -23.892 -1.896 1.00 53.35 O ATOM 569 OE2 GLU A 38 -5.909 -26.023 -2.294 1.00 71.35 O ATOM 0 H GLU A 38 -0.688 -26.520 -1.928 1.00 13.40 H new ATOM 0 HA GLU A 38 -1.850 -25.718 -4.474 1.00 1.53 H new ATOM 0 HB2 GLU A 38 -2.844 -26.077 -1.942 1.00 13.42 H new ATOM 0 HB3 GLU A 38 -2.579 -24.345 -1.939 1.00 13.42 H new ATOM 0 HG2 GLU A 38 -3.983 -24.073 -3.918 1.00 31.22 H new ATOM 0 HG3 GLU A 38 -4.154 -25.809 -4.083 1.00 31.22 H new ATOM 576 N VAL A 39 0.389 -23.971 -3.012 1.00 72.03 N ATOM 577 CA VAL A 39 1.196 -22.759 -3.077 1.00 11.52 C ATOM 578 C VAL A 39 2.120 -22.777 -4.289 1.00 73.14 C ATOM 579 O VAL A 39 2.354 -21.746 -4.921 1.00 41.10 O ATOM 580 CB VAL A 39 2.043 -22.580 -1.803 1.00 13.43 C ATOM 581 CG1 VAL A 39 2.592 -21.164 -1.721 1.00 45.32 C ATOM 582 CG2 VAL A 39 1.222 -22.914 -0.566 1.00 54.55 C ATOM 0 H VAL A 39 0.798 -24.720 -2.453 1.00 72.03 H new ATOM 0 HA VAL A 39 0.503 -21.922 -3.165 1.00 11.52 H new ATOM 0 HB VAL A 39 2.886 -23.269 -1.849 1.00 13.43 H new ATOM 0 HG11 VAL A 39 3.188 -21.057 -0.814 1.00 45.32 H new ATOM 0 HG12 VAL A 39 3.217 -20.965 -2.592 1.00 45.32 H new ATOM 0 HG13 VAL A 39 1.765 -20.454 -1.698 1.00 45.32 H new ATOM 0 HG21 VAL A 39 1.836 -22.782 0.325 1.00 54.55 H new ATOM 0 HG22 VAL A 39 0.358 -22.251 -0.513 1.00 54.55 H new ATOM 0 HG23 VAL A 39 0.883 -23.948 -0.623 1.00 54.55 H new ATOM 592 N LEU A 40 2.642 -23.956 -4.610 1.00 53.33 N ATOM 593 CA LEU A 40 3.541 -24.110 -5.749 1.00 14.21 C ATOM 594 C LEU A 40 2.907 -23.557 -7.022 1.00 2.25 C ATOM 595 O LEU A 40 3.437 -22.634 -7.640 1.00 14.23 O ATOM 596 CB LEU A 40 3.901 -25.584 -5.944 1.00 14.33 C ATOM 597 CG LEU A 40 5.323 -25.985 -5.550 1.00 53.02 C ATOM 598 CD1 LEU A 40 5.437 -26.133 -4.041 1.00 61.41 C ATOM 599 CD2 LEU A 40 5.724 -27.277 -6.247 1.00 45.31 C ATOM 0 H LEU A 40 2.458 -24.819 -4.098 1.00 53.33 H new ATOM 0 HA LEU A 40 4.450 -23.545 -5.542 1.00 14.21 H new ATOM 0 HB2 LEU A 40 3.201 -26.188 -5.366 1.00 14.33 H new ATOM 0 HB3 LEU A 40 3.751 -25.838 -6.993 1.00 14.33 H new ATOM 0 HG LEU A 40 6.005 -25.197 -5.869 1.00 53.02 H new ATOM 0 HD11 LEU A 40 6.456 -26.419 -3.779 1.00 61.41 H new ATOM 0 HD12 LEU A 40 5.192 -25.185 -3.563 1.00 61.41 H new ATOM 0 HD13 LEU A 40 4.745 -26.902 -3.698 1.00 61.41 H new ATOM 0 HD21 LEU A 40 6.739 -27.548 -5.955 1.00 45.31 H new ATOM 0 HD22 LEU A 40 5.039 -28.074 -5.959 1.00 45.31 H new ATOM 0 HD23 LEU A 40 5.682 -27.136 -7.327 1.00 45.31 H new ATOM 611 N ALA A 41 1.770 -24.126 -7.406 1.00 34.32 N ATOM 612 CA ALA A 41 1.062 -23.688 -8.602 1.00 54.50 C ATOM 613 C ALA A 41 0.630 -22.230 -8.481 1.00 1.01 C ATOM 614 O ALA A 41 0.405 -21.554 -9.484 1.00 43.04 O ATOM 615 CB ALA A 41 -0.146 -24.578 -8.857 1.00 45.13 C ATOM 0 H ALA A 41 1.319 -24.892 -6.906 1.00 34.32 H new ATOM 0 HA ALA A 41 1.745 -23.769 -9.448 1.00 54.50 H new ATOM 0 HB1 ALA A 41 -0.665 -24.239 -9.753 1.00 45.13 H new ATOM 0 HB2 ALA A 41 0.184 -25.608 -8.996 1.00 45.13 H new ATOM 0 HB3 ALA A 41 -0.823 -24.526 -8.004 1.00 45.13 H new ATOM 621 N ALA A 42 0.516 -21.752 -7.246 1.00 73.21 N ATOM 622 CA ALA A 42 0.112 -20.374 -6.994 1.00 63.34 C ATOM 623 C ALA A 42 1.174 -19.394 -7.480 1.00 43.23 C ATOM 624 O ALA A 42 0.855 -18.333 -8.019 1.00 72.33 O ATOM 625 CB ALA A 42 -0.162 -20.167 -5.512 1.00 43.12 C ATOM 0 H ALA A 42 0.698 -22.299 -6.404 1.00 73.21 H new ATOM 0 HA ALA A 42 -0.805 -20.182 -7.551 1.00 63.34 H new ATOM 0 HB1 ALA A 42 -0.463 -19.134 -5.338 1.00 43.12 H new ATOM 0 HB2 ALA A 42 -0.961 -20.836 -5.193 1.00 43.12 H new ATOM 0 HB3 ALA A 42 0.741 -20.383 -4.941 1.00 43.12 H new ATOM 631 N LEU A 43 2.438 -19.754 -7.286 1.00 1.10 N ATOM 632 CA LEU A 43 3.548 -18.905 -7.704 1.00 44.01 C ATOM 633 C LEU A 43 3.520 -18.675 -9.212 1.00 0.43 C ATOM 634 O LEU A 43 3.771 -17.567 -9.685 1.00 42.21 O ATOM 635 CB LEU A 43 4.881 -19.538 -7.298 1.00 52.44 C ATOM 636 CG LEU A 43 4.906 -20.235 -5.938 1.00 31.11 C ATOM 637 CD1 LEU A 43 6.322 -20.659 -5.581 1.00 43.14 C ATOM 638 CD2 LEU A 43 4.333 -19.325 -4.861 1.00 74.24 C ATOM 0 H LEU A 43 2.720 -20.628 -6.842 1.00 1.10 H new ATOM 0 HA LEU A 43 3.443 -17.941 -7.206 1.00 44.01 H new ATOM 0 HB2 LEU A 43 5.163 -20.264 -8.061 1.00 52.44 H new ATOM 0 HB3 LEU A 43 5.645 -18.761 -7.300 1.00 52.44 H new ATOM 0 HG LEU A 43 4.285 -21.129 -5.999 1.00 31.11 H new ATOM 0 HD11 LEU A 43 6.320 -21.153 -4.610 1.00 43.14 H new ATOM 0 HD12 LEU A 43 6.697 -21.348 -6.338 1.00 43.14 H new ATOM 0 HD13 LEU A 43 6.965 -19.780 -5.539 1.00 43.14 H new ATOM 0 HD21 LEU A 43 4.359 -19.838 -3.900 1.00 74.24 H new ATOM 0 HD22 LEU A 43 4.927 -18.413 -4.802 1.00 74.24 H new ATOM 0 HD23 LEU A 43 3.302 -19.072 -5.109 1.00 74.24 H new ATOM 650 N ALA A 44 3.210 -19.728 -9.960 1.00 63.13 N ATOM 651 CA ALA A 44 3.145 -19.640 -11.414 1.00 14.43 C ATOM 652 C ALA A 44 2.153 -18.568 -11.854 1.00 44.32 C ATOM 653 O ALA A 44 2.205 -18.089 -12.987 1.00 41.10 O ATOM 654 CB ALA A 44 2.765 -20.988 -12.008 1.00 4.00 C ATOM 0 H ALA A 44 3.000 -20.652 -9.584 1.00 63.13 H new ATOM 0 HA ALA A 44 4.132 -19.359 -11.781 1.00 14.43 H new ATOM 0 HB1 ALA A 44 2.720 -20.907 -13.094 1.00 4.00 H new ATOM 0 HB2 ALA A 44 3.512 -21.732 -11.730 1.00 4.00 H new ATOM 0 HB3 ALA A 44 1.790 -21.292 -11.626 1.00 4.00 H new ATOM 660 N SER A 45 1.251 -18.196 -10.952 1.00 1.12 N ATOM 661 CA SER A 45 0.245 -17.183 -11.249 1.00 72.43 C ATOM 662 C SER A 45 0.755 -15.790 -10.896 1.00 44.34 C ATOM 663 O SER A 45 0.443 -14.811 -11.574 1.00 41.35 O ATOM 664 CB SER A 45 -1.046 -17.476 -10.482 1.00 2.35 C ATOM 665 OG SER A 45 -2.148 -17.597 -11.364 1.00 61.40 O ATOM 0 H SER A 45 1.196 -18.581 -10.009 1.00 1.12 H new ATOM 0 HA SER A 45 0.039 -17.214 -12.319 1.00 72.43 H new ATOM 0 HB2 SER A 45 -0.932 -18.397 -9.910 1.00 2.35 H new ATOM 0 HB3 SER A 45 -1.236 -16.677 -9.765 1.00 2.35 H new ATOM 0 HG SER A 45 -2.960 -17.786 -10.849 1.00 61.40 H new ATOM 671 N LYS A 46 1.543 -15.708 -9.830 1.00 2.15 N ATOM 672 CA LYS A 46 2.100 -14.436 -9.385 1.00 12.24 C ATOM 673 C LYS A 46 3.074 -14.642 -8.229 1.00 33.40 C ATOM 674 O LYS A 46 2.689 -14.585 -7.061 1.00 12.25 O ATOM 675 CB LYS A 46 0.978 -13.487 -8.957 1.00 1.43 C ATOM 676 CG LYS A 46 1.456 -12.076 -8.657 1.00 70.31 C ATOM 677 CD LYS A 46 1.292 -11.733 -7.186 1.00 44.10 C ATOM 678 CE LYS A 46 2.627 -11.754 -6.457 1.00 21.21 C ATOM 679 NZ LYS A 46 3.207 -10.389 -6.321 1.00 35.24 N ATOM 0 H LYS A 46 1.811 -16.508 -9.257 1.00 2.15 H new ATOM 0 HA LYS A 46 2.644 -13.994 -10.220 1.00 12.24 H new ATOM 0 HB2 LYS A 46 0.227 -13.447 -9.746 1.00 1.43 H new ATOM 0 HB3 LYS A 46 0.489 -13.892 -8.071 1.00 1.43 H new ATOM 0 HG2 LYS A 46 2.504 -11.978 -8.940 1.00 70.31 H new ATOM 0 HG3 LYS A 46 0.895 -11.364 -9.262 1.00 70.31 H new ATOM 0 HD2 LYS A 46 0.839 -10.746 -7.090 1.00 44.10 H new ATOM 0 HD3 LYS A 46 0.610 -12.444 -6.719 1.00 44.10 H new ATOM 0 HE2 LYS A 46 2.494 -12.192 -5.468 1.00 21.21 H new ATOM 0 HE3 LYS A 46 3.326 -12.393 -6.997 1.00 21.21 H new ATOM 0 HZ1 LYS A 46 4.073 -10.321 -6.893 1.00 35.24 H new ATOM 0 HZ2 LYS A 46 2.517 -9.684 -6.652 1.00 35.24 H new ATOM 0 HZ3 LYS A 46 3.436 -10.207 -5.323 1.00 35.24 H new ATOM 693 N THR A 47 4.338 -14.882 -8.562 1.00 62.22 N ATOM 694 CA THR A 47 5.367 -15.097 -7.553 1.00 1.14 C ATOM 695 C THR A 47 5.305 -14.027 -6.468 1.00 60.32 C ATOM 696 O THR A 47 5.542 -12.844 -6.715 1.00 34.51 O ATOM 697 CB THR A 47 6.775 -15.098 -8.177 1.00 3.21 C ATOM 698 OG1 THR A 47 6.883 -16.152 -9.140 1.00 44.31 O ATOM 699 CG2 THR A 47 7.842 -15.271 -7.106 1.00 72.11 C ATOM 0 H THR A 47 4.674 -14.932 -9.524 1.00 62.22 H new ATOM 0 HA THR A 47 5.174 -16.073 -7.109 1.00 1.14 H new ATOM 0 HB THR A 47 6.930 -14.138 -8.670 1.00 3.21 H new ATOM 0 HG1 THR A 47 7.781 -16.145 -9.533 1.00 44.31 H new ATOM 0 HG21 THR A 47 8.828 -15.269 -7.571 1.00 72.11 H new ATOM 0 HG22 THR A 47 7.776 -14.451 -6.391 1.00 72.11 H new ATOM 0 HG23 THR A 47 7.687 -16.218 -6.588 1.00 72.11 H new ATOM 707 N PRO A 48 4.980 -14.450 -5.237 1.00 41.43 N ATOM 708 CA PRO A 48 4.881 -13.543 -4.090 1.00 12.32 C ATOM 709 C PRO A 48 6.241 -13.008 -3.654 1.00 32.42 C ATOM 710 O PRO A 48 7.245 -13.206 -4.339 1.00 14.03 O ATOM 711 CB PRO A 48 4.276 -14.423 -2.993 1.00 54.04 C ATOM 712 CG PRO A 48 4.661 -15.813 -3.368 1.00 13.44 C ATOM 713 CD PRO A 48 4.685 -15.845 -4.871 1.00 2.02 C ATOM 0 HA PRO A 48 4.288 -12.658 -4.321 1.00 12.32 H new ATOM 0 HB2 PRO A 48 4.666 -14.155 -2.011 1.00 54.04 H new ATOM 0 HB3 PRO A 48 3.193 -14.311 -2.948 1.00 54.04 H new ATOM 0 HG2 PRO A 48 5.637 -16.072 -2.957 1.00 13.44 H new ATOM 0 HG3 PRO A 48 3.947 -16.536 -2.974 1.00 13.44 H new ATOM 0 HD2 PRO A 48 5.447 -16.529 -5.246 1.00 2.02 H new ATOM 0 HD3 PRO A 48 3.731 -16.175 -5.281 1.00 2.02 H new ATOM 721 N ASP A 49 6.267 -12.332 -2.511 1.00 55.40 N ATOM 722 CA ASP A 49 7.504 -11.770 -1.983 1.00 3.12 C ATOM 723 C ASP A 49 7.943 -12.510 -0.723 1.00 72.10 C ATOM 724 O ASP A 49 9.080 -12.371 -0.273 1.00 0.15 O ATOM 725 CB ASP A 49 7.325 -10.282 -1.679 1.00 1.24 C ATOM 726 CG ASP A 49 6.956 -9.479 -2.911 1.00 24.32 C ATOM 727 OD1 ASP A 49 5.813 -9.624 -3.392 1.00 44.32 O ATOM 728 OD2 ASP A 49 7.811 -8.707 -3.394 1.00 61.43 O ATOM 0 H ASP A 49 5.445 -12.160 -1.932 1.00 55.40 H new ATOM 0 HA ASP A 49 8.279 -11.887 -2.740 1.00 3.12 H new ATOM 0 HB2 ASP A 49 6.549 -10.159 -0.923 1.00 1.24 H new ATOM 0 HB3 ASP A 49 8.248 -9.887 -1.255 1.00 1.24 H new ATOM 733 N VAL A 50 7.032 -13.297 -0.158 1.00 5.11 N ATOM 734 CA VAL A 50 7.325 -14.059 1.050 1.00 31.21 C ATOM 735 C VAL A 50 6.150 -14.950 1.435 1.00 35.44 C ATOM 736 O VAL A 50 5.009 -14.694 1.048 1.00 34.21 O ATOM 737 CB VAL A 50 7.660 -13.131 2.232 1.00 1.34 C ATOM 738 CG1 VAL A 50 6.419 -12.381 2.691 1.00 12.04 C ATOM 739 CG2 VAL A 50 8.267 -13.926 3.378 1.00 30.04 C ATOM 0 H VAL A 50 6.086 -13.423 -0.517 1.00 5.11 H new ATOM 0 HA VAL A 50 8.193 -14.681 0.829 1.00 31.21 H new ATOM 0 HB VAL A 50 8.395 -12.398 1.899 1.00 1.34 H new ATOM 0 HG11 VAL A 50 6.676 -11.730 3.527 1.00 12.04 H new ATOM 0 HG12 VAL A 50 6.032 -11.780 1.868 1.00 12.04 H new ATOM 0 HG13 VAL A 50 5.658 -13.095 3.007 1.00 12.04 H new ATOM 0 HG21 VAL A 50 8.498 -13.254 4.205 1.00 30.04 H new ATOM 0 HG22 VAL A 50 7.557 -14.682 3.712 1.00 30.04 H new ATOM 0 HG23 VAL A 50 9.182 -14.412 3.039 1.00 30.04 H new ATOM 749 N LEU A 51 6.435 -15.998 2.201 1.00 72.13 N ATOM 750 CA LEU A 51 5.401 -16.929 2.640 1.00 12.32 C ATOM 751 C LEU A 51 5.485 -17.166 4.145 1.00 42.44 C ATOM 752 O LEU A 51 6.420 -16.709 4.804 1.00 32.05 O ATOM 753 CB LEU A 51 5.533 -18.258 1.895 1.00 42.01 C ATOM 754 CG LEU A 51 4.428 -18.575 0.887 1.00 32.42 C ATOM 755 CD1 LEU A 51 5.026 -19.026 -0.437 1.00 14.43 C ATOM 756 CD2 LEU A 51 3.491 -19.639 1.441 1.00 70.23 C ATOM 0 H LEU A 51 7.373 -16.224 2.531 1.00 72.13 H new ATOM 0 HA LEU A 51 4.430 -16.488 2.414 1.00 12.32 H new ATOM 0 HB2 LEU A 51 6.488 -18.264 1.370 1.00 42.01 H new ATOM 0 HB3 LEU A 51 5.568 -19.062 2.630 1.00 42.01 H new ATOM 0 HG LEU A 51 3.852 -17.667 0.711 1.00 32.42 H new ATOM 0 HD11 LEU A 51 4.224 -19.247 -1.142 1.00 14.43 H new ATOM 0 HD12 LEU A 51 5.656 -18.233 -0.841 1.00 14.43 H new ATOM 0 HD13 LEU A 51 5.627 -19.921 -0.279 1.00 14.43 H new ATOM 0 HD21 LEU A 51 2.711 -19.852 0.711 1.00 70.23 H new ATOM 0 HD22 LEU A 51 4.055 -20.549 1.646 1.00 70.23 H new ATOM 0 HD23 LEU A 51 3.036 -19.278 2.363 1.00 70.23 H new ATOM 768 N LEU A 52 4.505 -17.884 4.681 1.00 13.30 N ATOM 769 CA LEU A 52 4.469 -18.184 6.108 1.00 32.01 C ATOM 770 C LEU A 52 3.998 -19.614 6.352 1.00 64.41 C ATOM 771 O LEU A 52 3.005 -19.843 7.042 1.00 2.43 O ATOM 772 CB LEU A 52 3.547 -17.201 6.833 1.00 23.51 C ATOM 773 CG LEU A 52 3.868 -15.718 6.647 1.00 64.10 C ATOM 774 CD1 LEU A 52 2.595 -14.923 6.405 1.00 41.35 C ATOM 775 CD2 LEU A 52 4.614 -15.178 7.858 1.00 4.13 C ATOM 0 H LEU A 52 3.725 -18.269 4.149 1.00 13.30 H new ATOM 0 HA LEU A 52 5.480 -18.082 6.501 1.00 32.01 H new ATOM 0 HB2 LEU A 52 2.525 -17.376 6.496 1.00 23.51 H new ATOM 0 HB3 LEU A 52 3.574 -17.427 7.899 1.00 23.51 H new ATOM 0 HG LEU A 52 4.510 -15.612 5.773 1.00 64.10 H new ATOM 0 HD11 LEU A 52 2.843 -13.870 6.275 1.00 41.35 H new ATOM 0 HD12 LEU A 52 2.100 -15.293 5.507 1.00 41.35 H new ATOM 0 HD13 LEU A 52 1.928 -15.036 7.259 1.00 41.35 H new ATOM 0 HD21 LEU A 52 4.834 -14.121 7.708 1.00 4.13 H new ATOM 0 HD22 LEU A 52 3.997 -15.297 8.748 1.00 4.13 H new ATOM 0 HD23 LEU A 52 5.546 -15.728 7.986 1.00 4.13 H new ATOM 787 N SER A 53 4.720 -20.574 5.782 1.00 31.42 N ATOM 788 CA SER A 53 4.376 -21.983 5.936 1.00 14.12 C ATOM 789 C SER A 53 4.210 -22.344 7.409 1.00 13.33 C ATOM 790 O SER A 53 4.999 -21.923 8.255 1.00 30.35 O ATOM 791 CB SER A 53 5.452 -22.865 5.302 1.00 63.34 C ATOM 792 OG SER A 53 6.544 -23.053 6.185 1.00 30.14 O ATOM 0 H SER A 53 5.546 -20.402 5.210 1.00 31.42 H new ATOM 0 HA SER A 53 3.428 -22.157 5.428 1.00 14.12 H new ATOM 0 HB2 SER A 53 5.024 -23.832 5.037 1.00 63.34 H new ATOM 0 HB3 SER A 53 5.803 -22.407 4.377 1.00 63.34 H new ATOM 0 HG SER A 53 6.983 -22.192 6.350 1.00 30.14 H new ATOM 798 N ASP A 54 3.178 -23.125 7.708 1.00 55.13 N ATOM 799 CA ASP A 54 2.907 -23.544 9.078 1.00 30.10 C ATOM 800 C ASP A 54 3.332 -24.993 9.297 1.00 53.20 C ATOM 801 O ASP A 54 3.750 -25.368 10.393 1.00 63.25 O ATOM 802 CB ASP A 54 1.421 -23.381 9.400 1.00 74.23 C ATOM 803 CG ASP A 54 1.053 -23.967 10.749 1.00 74.44 C ATOM 804 OD1 ASP A 54 1.854 -23.826 11.695 1.00 2.33 O ATOM 805 OD2 ASP A 54 -0.037 -24.569 10.857 1.00 2.33 O ATOM 0 H ASP A 54 2.515 -23.481 7.020 1.00 55.13 H new ATOM 0 HA ASP A 54 3.487 -22.909 9.747 1.00 30.10 H new ATOM 0 HB2 ASP A 54 1.163 -22.322 9.385 1.00 74.23 H new ATOM 0 HB3 ASP A 54 0.829 -23.865 8.623 1.00 74.23 H new ATOM 810 N ILE A 55 3.220 -25.802 8.249 1.00 40.43 N ATOM 811 CA ILE A 55 3.593 -27.209 8.327 1.00 15.30 C ATOM 812 C ILE A 55 2.726 -27.951 9.338 1.00 20.35 C ATOM 813 O ILE A 55 3.198 -28.343 10.406 1.00 72.10 O ATOM 814 CB ILE A 55 5.074 -27.378 8.714 1.00 35.31 C ATOM 815 CG1 ILE A 55 5.965 -26.560 7.778 1.00 51.03 C ATOM 816 CG2 ILE A 55 5.466 -28.848 8.678 1.00 54.24 C ATOM 817 CD1 ILE A 55 7.420 -26.544 8.190 1.00 2.30 C ATOM 0 H ILE A 55 2.874 -25.507 7.336 1.00 40.43 H new ATOM 0 HA ILE A 55 3.435 -27.634 7.336 1.00 15.30 H new ATOM 0 HB ILE A 55 5.213 -27.010 9.730 1.00 35.31 H new ATOM 0 HG12 ILE A 55 5.886 -26.964 6.769 1.00 51.03 H new ATOM 0 HG13 ILE A 55 5.595 -25.535 7.741 1.00 51.03 H new ATOM 0 HG21 ILE A 55 6.515 -28.952 8.954 1.00 54.24 H new ATOM 0 HG22 ILE A 55 4.849 -29.406 9.382 1.00 54.24 H new ATOM 0 HG23 ILE A 55 5.315 -29.240 7.672 1.00 54.24 H new ATOM 0 HD11 ILE A 55 7.992 -25.945 7.481 1.00 2.30 H new ATOM 0 HD12 ILE A 55 7.511 -26.112 9.187 1.00 2.30 H new ATOM 0 HD13 ILE A 55 7.807 -27.563 8.200 1.00 2.30 H new ATOM 829 N ARG A 56 1.457 -28.143 8.994 1.00 13.23 N ATOM 830 CA ARG A 56 0.524 -28.839 9.872 1.00 70.30 C ATOM 831 C ARG A 56 -0.468 -29.669 9.062 1.00 15.42 C ATOM 832 O ARG A 56 -1.577 -29.948 9.519 1.00 42.35 O ATOM 833 CB ARG A 56 -0.229 -27.837 10.750 1.00 63.55 C ATOM 834 CG ARG A 56 -0.069 -28.093 12.239 1.00 13.24 C ATOM 835 CD ARG A 56 0.989 -27.187 12.850 1.00 70.14 C ATOM 836 NE ARG A 56 0.654 -26.797 14.216 1.00 35.25 N ATOM 837 CZ ARG A 56 1.468 -26.102 15.003 1.00 33.43 C ATOM 838 NH1 ARG A 56 2.658 -25.723 14.561 1.00 44.23 N ATOM 839 NH2 ARG A 56 1.091 -25.786 16.235 1.00 11.55 N ATOM 0 H ARG A 56 1.051 -27.826 8.113 1.00 13.23 H new ATOM 0 HA ARG A 56 1.097 -29.511 10.511 1.00 70.30 H new ATOM 0 HB2 ARG A 56 0.123 -26.831 10.523 1.00 63.55 H new ATOM 0 HB3 ARG A 56 -1.289 -27.869 10.496 1.00 63.55 H new ATOM 0 HG2 ARG A 56 -1.023 -27.931 12.742 1.00 13.24 H new ATOM 0 HG3 ARG A 56 0.205 -29.135 12.403 1.00 13.24 H new ATOM 0 HD2 ARG A 56 1.951 -27.699 12.845 1.00 70.14 H new ATOM 0 HD3 ARG A 56 1.100 -26.294 12.235 1.00 70.14 H new ATOM 0 HE ARG A 56 -0.255 -27.073 14.587 1.00 35.25 H new ATOM 0 HH11 ARG A 56 2.951 -25.965 13.614 1.00 44.23 H new ATOM 0 HH12 ARG A 56 3.281 -25.189 15.167 1.00 44.23 H new ATOM 0 HH21 ARG A 56 0.176 -26.077 16.579 1.00 11.55 H new ATOM 0 HH22 ARG A 56 1.716 -25.252 16.839 1.00 11.55 H new ATOM 853 N MET A 57 -0.062 -30.058 7.858 1.00 33.43 N ATOM 854 CA MET A 57 -0.916 -30.856 6.986 1.00 62.25 C ATOM 855 C MET A 57 -0.297 -32.226 6.724 1.00 12.21 C ATOM 856 O MET A 57 0.913 -32.419 6.840 1.00 62.11 O ATOM 857 CB MET A 57 -1.149 -30.128 5.661 1.00 54.24 C ATOM 858 CG MET A 57 0.108 -29.500 5.082 1.00 64.51 C ATOM 859 SD MET A 57 0.110 -27.702 5.211 1.00 60.03 S ATOM 860 CE MET A 57 1.702 -27.312 4.487 1.00 34.25 C ATOM 0 H MET A 57 0.852 -29.834 7.464 1.00 33.43 H new ATOM 0 HA MET A 57 -1.873 -30.999 7.488 1.00 62.25 H new ATOM 0 HB2 MET A 57 -1.560 -30.832 4.937 1.00 54.24 H new ATOM 0 HB3 MET A 57 -1.898 -29.350 5.810 1.00 54.24 H new ATOM 0 HG2 MET A 57 0.980 -29.898 5.600 1.00 64.51 H new ATOM 0 HG3 MET A 57 0.202 -29.785 4.034 1.00 64.51 H new ATOM 0 HE1 MET A 57 2.263 -26.670 5.166 1.00 34.25 H new ATOM 0 HE2 MET A 57 2.259 -28.233 4.316 1.00 34.25 H new ATOM 0 HE3 MET A 57 1.554 -26.796 3.539 1.00 34.25 H new ATOM 870 N PRO A 58 -1.145 -33.200 6.363 1.00 34.22 N ATOM 871 CA PRO A 58 -0.704 -34.569 6.078 1.00 42.42 C ATOM 872 C PRO A 58 0.104 -34.660 4.788 1.00 42.22 C ATOM 873 O PRO A 58 0.311 -33.660 4.101 1.00 35.11 O ATOM 874 CB PRO A 58 -2.017 -35.344 5.942 1.00 4.04 C ATOM 875 CG PRO A 58 -3.021 -34.321 5.537 1.00 2.12 C ATOM 876 CD PRO A 58 -2.601 -33.041 6.205 1.00 2.04 C ATOM 0 HA PRO A 58 -0.044 -34.955 6.855 1.00 42.42 H new ATOM 0 HB2 PRO A 58 -1.935 -36.135 5.196 1.00 4.04 H new ATOM 0 HB3 PRO A 58 -2.295 -35.820 6.882 1.00 4.04 H new ATOM 0 HG2 PRO A 58 -3.045 -34.206 4.453 1.00 2.12 H new ATOM 0 HG3 PRO A 58 -4.024 -34.613 5.849 1.00 2.12 H new ATOM 0 HD2 PRO A 58 -2.846 -32.171 5.596 1.00 2.04 H new ATOM 0 HD3 PRO A 58 -3.097 -32.908 7.166 1.00 2.04 H new ATOM 884 N GLY A 59 0.559 -35.866 4.464 1.00 64.41 N ATOM 885 CA GLY A 59 1.339 -36.065 3.256 1.00 25.44 C ATOM 886 C GLY A 59 2.682 -35.364 3.311 1.00 11.52 C ATOM 887 O GLY A 59 3.675 -35.943 3.749 1.00 22.12 O ATOM 0 H GLY A 59 0.402 -36.709 5.016 1.00 64.41 H new ATOM 0 HA2 GLY A 59 1.496 -37.132 3.100 1.00 25.44 H new ATOM 0 HA3 GLY A 59 0.775 -35.697 2.399 1.00 25.44 H new ATOM 891 N MET A 60 2.712 -34.112 2.864 1.00 64.42 N ATOM 892 CA MET A 60 3.944 -33.331 2.864 1.00 72.24 C ATOM 893 C MET A 60 4.422 -33.070 4.288 1.00 23.23 C ATOM 894 O MET A 60 3.616 -32.876 5.198 1.00 30.42 O ATOM 895 CB MET A 60 3.731 -32.004 2.134 1.00 53.34 C ATOM 896 CG MET A 60 3.679 -32.144 0.621 1.00 53.41 C ATOM 897 SD MET A 60 2.035 -32.576 0.019 1.00 31.44 S ATOM 898 CE MET A 60 1.441 -30.976 -0.524 1.00 21.30 C ATOM 0 H MET A 60 1.899 -33.617 2.498 1.00 64.42 H new ATOM 0 HA MET A 60 4.709 -33.906 2.343 1.00 72.24 H new ATOM 0 HB2 MET A 60 2.801 -31.553 2.481 1.00 53.34 H new ATOM 0 HB3 MET A 60 4.536 -31.319 2.400 1.00 53.34 H new ATOM 0 HG2 MET A 60 3.995 -31.207 0.162 1.00 53.41 H new ATOM 0 HG3 MET A 60 4.389 -32.908 0.306 1.00 53.41 H new ATOM 0 HE1 MET A 60 0.478 -31.095 -1.020 1.00 21.30 H new ATOM 0 HE2 MET A 60 1.327 -30.318 0.338 1.00 21.30 H new ATOM 0 HE3 MET A 60 2.156 -30.540 -1.221 1.00 21.30 H new ATOM 908 N ASP A 61 5.738 -33.067 4.475 1.00 74.15 N ATOM 909 CA ASP A 61 6.323 -32.829 5.789 1.00 62.23 C ATOM 910 C ASP A 61 6.678 -31.356 5.967 1.00 34.21 C ATOM 911 O ASP A 61 7.521 -31.006 6.791 1.00 43.41 O ATOM 912 CB ASP A 61 7.571 -33.693 5.979 1.00 72.33 C ATOM 913 CG ASP A 61 7.238 -35.094 6.454 1.00 60.14 C ATOM 914 OD1 ASP A 61 6.365 -35.229 7.336 1.00 23.13 O ATOM 915 OD2 ASP A 61 7.851 -36.055 5.943 1.00 30.32 O ATOM 0 H ASP A 61 6.419 -33.227 3.733 1.00 74.15 H new ATOM 0 HA ASP A 61 5.584 -33.100 6.543 1.00 62.23 H new ATOM 0 HB2 ASP A 61 8.116 -33.752 5.037 1.00 72.33 H new ATOM 0 HB3 ASP A 61 8.234 -33.216 6.701 1.00 72.33 H new ATOM 920 N GLY A 62 6.027 -30.497 5.188 1.00 61.43 N ATOM 921 CA GLY A 62 6.288 -29.073 5.274 1.00 2.53 C ATOM 922 C GLY A 62 7.481 -28.650 4.440 1.00 53.15 C ATOM 923 O GLY A 62 7.368 -27.772 3.582 1.00 25.52 O ATOM 0 H GLY A 62 5.323 -30.763 4.499 1.00 61.43 H new ATOM 0 HA2 GLY A 62 5.406 -28.525 4.944 1.00 2.53 H new ATOM 0 HA3 GLY A 62 6.462 -28.801 6.315 1.00 2.53 H new ATOM 927 N LEU A 63 8.627 -29.273 4.690 1.00 32.11 N ATOM 928 CA LEU A 63 9.847 -28.956 3.956 1.00 12.50 C ATOM 929 C LEU A 63 9.873 -29.670 2.608 1.00 10.34 C ATOM 930 O LEU A 63 10.672 -29.337 1.734 1.00 51.43 O ATOM 931 CB LEU A 63 11.076 -29.347 4.778 1.00 63.25 C ATOM 932 CG LEU A 63 10.943 -30.615 5.622 1.00 3.22 C ATOM 933 CD1 LEU A 63 10.459 -31.776 4.769 1.00 74.52 C ATOM 934 CD2 LEU A 63 12.270 -30.955 6.286 1.00 73.12 C ATOM 0 H LEU A 63 8.737 -30.001 5.396 1.00 32.11 H new ATOM 0 HA LEU A 63 9.865 -27.881 3.777 1.00 12.50 H new ATOM 0 HB2 LEU A 63 11.918 -29.474 4.098 1.00 63.25 H new ATOM 0 HB3 LEU A 63 11.324 -28.518 5.441 1.00 63.25 H new ATOM 0 HG LEU A 63 10.205 -30.433 6.403 1.00 3.22 H new ATOM 0 HD11 LEU A 63 10.371 -32.669 5.387 1.00 74.52 H new ATOM 0 HD12 LEU A 63 9.486 -31.533 4.341 1.00 74.52 H new ATOM 0 HD13 LEU A 63 11.173 -31.960 3.966 1.00 74.52 H new ATOM 0 HD21 LEU A 63 12.157 -31.860 6.883 1.00 73.12 H new ATOM 0 HD22 LEU A 63 13.029 -31.117 5.521 1.00 73.12 H new ATOM 0 HD23 LEU A 63 12.576 -30.131 6.931 1.00 73.12 H new ATOM 946 N ALA A 64 8.992 -30.652 2.448 1.00 42.11 N ATOM 947 CA ALA A 64 8.911 -31.410 1.206 1.00 64.04 C ATOM 948 C ALA A 64 8.904 -30.482 -0.004 1.00 50.04 C ATOM 949 O ALA A 64 9.725 -30.622 -0.912 1.00 1.31 O ATOM 950 CB ALA A 64 7.671 -32.291 1.205 1.00 61.31 C ATOM 0 H ALA A 64 8.324 -30.941 3.163 1.00 42.11 H new ATOM 0 HA ALA A 64 9.794 -32.045 1.139 1.00 64.04 H new ATOM 0 HB1 ALA A 64 7.624 -32.851 0.271 1.00 61.31 H new ATOM 0 HB2 ALA A 64 7.718 -32.986 2.043 1.00 61.31 H new ATOM 0 HB3 ALA A 64 6.782 -31.668 1.300 1.00 61.31 H new ATOM 956 N LEU A 65 7.972 -29.535 -0.012 1.00 62.21 N ATOM 957 CA LEU A 65 7.857 -28.584 -1.112 1.00 4.31 C ATOM 958 C LEU A 65 8.806 -27.405 -0.914 1.00 34.43 C ATOM 959 O LEU A 65 9.288 -26.813 -1.880 1.00 75.02 O ATOM 960 CB LEU A 65 6.418 -28.080 -1.229 1.00 34.34 C ATOM 961 CG LEU A 65 6.072 -26.839 -0.405 1.00 34.40 C ATOM 962 CD1 LEU A 65 4.734 -26.263 -0.844 1.00 65.11 C ATOM 963 CD2 LEU A 65 6.049 -27.174 1.079 1.00 14.14 C ATOM 0 H LEU A 65 7.285 -29.405 0.731 1.00 62.21 H new ATOM 0 HA LEU A 65 8.131 -29.098 -2.033 1.00 4.31 H new ATOM 0 HB2 LEU A 65 6.214 -27.864 -2.278 1.00 34.34 H new ATOM 0 HB3 LEU A 65 5.747 -28.886 -0.934 1.00 34.34 H new ATOM 0 HG LEU A 65 6.842 -26.087 -0.576 1.00 34.40 H new ATOM 0 HD11 LEU A 65 4.504 -25.381 -0.247 1.00 65.11 H new ATOM 0 HD12 LEU A 65 4.785 -25.985 -1.897 1.00 65.11 H new ATOM 0 HD13 LEU A 65 3.953 -27.010 -0.703 1.00 65.11 H new ATOM 0 HD21 LEU A 65 5.801 -26.279 1.650 1.00 14.14 H new ATOM 0 HD22 LEU A 65 5.300 -27.943 1.267 1.00 14.14 H new ATOM 0 HD23 LEU A 65 7.029 -27.540 1.385 1.00 14.14 H new ATOM 975 N LEU A 66 9.071 -27.072 0.344 1.00 0.44 N ATOM 976 CA LEU A 66 9.964 -25.965 0.670 1.00 22.13 C ATOM 977 C LEU A 66 11.350 -26.191 0.075 1.00 42.31 C ATOM 978 O LEU A 66 12.039 -25.241 -0.300 1.00 21.52 O ATOM 979 CB LEU A 66 10.069 -25.798 2.187 1.00 22.42 C ATOM 980 CG LEU A 66 9.970 -24.366 2.713 1.00 24.14 C ATOM 981 CD1 LEU A 66 10.878 -23.441 1.917 1.00 33.12 C ATOM 982 CD2 LEU A 66 8.530 -23.877 2.662 1.00 22.23 C ATOM 0 H LEU A 66 8.681 -27.552 1.155 1.00 0.44 H new ATOM 0 HA LEU A 66 9.547 -25.055 0.239 1.00 22.13 H new ATOM 0 HB2 LEU A 66 9.281 -26.390 2.653 1.00 22.42 H new ATOM 0 HB3 LEU A 66 11.020 -26.219 2.514 1.00 22.42 H new ATOM 0 HG LEU A 66 10.298 -24.358 3.752 1.00 24.14 H new ATOM 0 HD11 LEU A 66 10.794 -22.426 2.306 1.00 33.12 H new ATOM 0 HD12 LEU A 66 11.910 -23.780 2.006 1.00 33.12 H new ATOM 0 HD13 LEU A 66 10.581 -23.454 0.868 1.00 33.12 H new ATOM 0 HD21 LEU A 66 8.479 -22.856 3.040 1.00 22.23 H new ATOM 0 HD22 LEU A 66 8.174 -23.901 1.632 1.00 22.23 H new ATOM 0 HD23 LEU A 66 7.904 -24.524 3.277 1.00 22.23 H new ATOM 994 N LYS A 67 11.753 -27.454 -0.012 1.00 11.15 N ATOM 995 CA LYS A 67 13.055 -27.806 -0.565 1.00 22.23 C ATOM 996 C LYS A 67 13.174 -27.343 -2.013 1.00 63.42 C ATOM 997 O LYS A 67 14.262 -27.001 -2.477 1.00 33.22 O ATOM 998 CB LYS A 67 13.275 -29.318 -0.482 1.00 24.45 C ATOM 999 CG LYS A 67 14.255 -29.732 0.603 1.00 1.41 C ATOM 1000 CD LYS A 67 13.576 -29.834 1.959 1.00 71.05 C ATOM 1001 CE LYS A 67 14.517 -30.397 3.012 1.00 1.25 C ATOM 1002 NZ LYS A 67 14.354 -31.868 3.173 1.00 70.31 N ATOM 0 H LYS A 67 11.196 -28.252 0.294 1.00 11.15 H new ATOM 0 HA LYS A 67 13.821 -27.301 0.024 1.00 22.23 H new ATOM 0 HB2 LYS A 67 12.318 -29.807 -0.301 1.00 24.45 H new ATOM 0 HB3 LYS A 67 13.639 -29.677 -1.445 1.00 24.45 H new ATOM 0 HG2 LYS A 67 14.700 -30.693 0.345 1.00 1.41 H new ATOM 0 HG3 LYS A 67 15.068 -29.008 0.656 1.00 1.41 H new ATOM 0 HD2 LYS A 67 13.230 -28.848 2.269 1.00 71.05 H new ATOM 0 HD3 LYS A 67 12.695 -30.471 1.879 1.00 71.05 H new ATOM 0 HE2 LYS A 67 15.547 -30.174 2.735 1.00 1.25 H new ATOM 0 HE3 LYS A 67 14.330 -29.904 3.966 1.00 1.25 H new ATOM 0 HZ1 LYS A 67 15.013 -32.213 3.900 1.00 70.31 H new ATOM 0 HZ2 LYS A 67 13.378 -32.079 3.463 1.00 70.31 H new ATOM 0 HZ3 LYS A 67 14.557 -32.341 2.269 1.00 70.31 H new ATOM 1016 N GLN A 68 12.050 -27.335 -2.721 1.00 55.33 N ATOM 1017 CA GLN A 68 12.029 -26.913 -4.117 1.00 3.31 C ATOM 1018 C GLN A 68 11.849 -25.402 -4.226 1.00 60.33 C ATOM 1019 O GLN A 68 12.265 -24.788 -5.209 1.00 10.41 O ATOM 1020 CB GLN A 68 10.908 -27.628 -4.872 1.00 34.23 C ATOM 1021 CG GLN A 68 9.628 -26.814 -4.975 1.00 42.34 C ATOM 1022 CD GLN A 68 9.625 -25.883 -6.172 1.00 15.32 C ATOM 1023 OE1 GLN A 68 10.290 -26.140 -7.176 1.00 33.25 O ATOM 1024 NE2 GLN A 68 8.873 -24.793 -6.072 1.00 11.54 N ATOM 0 H GLN A 68 11.142 -27.616 -2.351 1.00 55.33 H new ATOM 0 HA GLN A 68 12.986 -27.180 -4.565 1.00 3.31 H new ATOM 0 HB2 GLN A 68 11.255 -27.872 -5.876 1.00 34.23 H new ATOM 0 HB3 GLN A 68 10.689 -28.572 -4.372 1.00 34.23 H new ATOM 0 HG2 GLN A 68 8.776 -27.490 -5.043 1.00 42.34 H new ATOM 0 HG3 GLN A 68 9.499 -26.229 -4.064 1.00 42.34 H new ATOM 0 HE21 GLN A 68 8.338 -24.619 -5.221 1.00 11.54 H new ATOM 0 HE22 GLN A 68 8.831 -24.130 -6.846 1.00 11.54 H new ATOM 1033 N ILE A 69 11.227 -24.811 -3.212 1.00 53.34 N ATOM 1034 CA ILE A 69 10.992 -23.372 -3.195 1.00 64.11 C ATOM 1035 C ILE A 69 12.298 -22.601 -3.356 1.00 12.40 C ATOM 1036 O ILE A 69 12.311 -21.480 -3.866 1.00 62.23 O ATOM 1037 CB ILE A 69 10.305 -22.929 -1.890 1.00 71.30 C ATOM 1038 CG1 ILE A 69 8.874 -23.469 -1.833 1.00 43.10 C ATOM 1039 CG2 ILE A 69 10.309 -21.412 -1.777 1.00 65.14 C ATOM 1040 CD1 ILE A 69 8.131 -23.079 -0.574 1.00 63.43 C ATOM 0 H ILE A 69 10.877 -25.306 -2.392 1.00 53.34 H new ATOM 0 HA ILE A 69 10.335 -23.149 -4.035 1.00 64.11 H new ATOM 0 HB ILE A 69 10.862 -23.338 -1.047 1.00 71.30 H new ATOM 0 HG12 ILE A 69 8.322 -23.104 -2.699 1.00 43.10 H new ATOM 0 HG13 ILE A 69 8.901 -24.556 -1.907 1.00 43.10 H new ATOM 0 HG21 ILE A 69 9.820 -21.115 -0.849 1.00 65.14 H new ATOM 0 HG22 ILE A 69 11.337 -21.050 -1.777 1.00 65.14 H new ATOM 0 HG23 ILE A 69 9.773 -20.983 -2.623 1.00 65.14 H new ATOM 0 HD11 ILE A 69 7.124 -23.496 -0.602 1.00 63.43 H new ATOM 0 HD12 ILE A 69 8.661 -23.467 0.296 1.00 63.43 H new ATOM 0 HD13 ILE A 69 8.072 -21.993 -0.508 1.00 63.43 H new ATOM 1052 N LYS A 70 13.396 -23.208 -2.919 1.00 35.33 N ATOM 1053 CA LYS A 70 14.708 -22.581 -3.016 1.00 62.22 C ATOM 1054 C LYS A 70 15.229 -22.629 -4.449 1.00 51.11 C ATOM 1055 O LYS A 70 15.692 -21.622 -4.984 1.00 10.11 O ATOM 1056 CB LYS A 70 15.699 -23.276 -2.079 1.00 51.30 C ATOM 1057 CG LYS A 70 15.251 -23.297 -0.628 1.00 35.40 C ATOM 1058 CD LYS A 70 15.458 -21.948 0.040 1.00 73.41 C ATOM 1059 CE LYS A 70 14.512 -21.758 1.216 1.00 5.22 C ATOM 1060 NZ LYS A 70 13.103 -21.576 0.771 1.00 10.03 N ATOM 0 H LYS A 70 13.403 -24.135 -2.494 1.00 35.33 H new ATOM 0 HA LYS A 70 14.607 -21.537 -2.719 1.00 62.22 H new ATOM 0 HB2 LYS A 70 15.850 -24.301 -2.419 1.00 51.30 H new ATOM 0 HB3 LYS A 70 16.663 -22.773 -2.146 1.00 51.30 H new ATOM 0 HG2 LYS A 70 14.198 -23.572 -0.576 1.00 35.40 H new ATOM 0 HG3 LYS A 70 15.807 -24.062 -0.086 1.00 35.40 H new ATOM 0 HD2 LYS A 70 16.489 -21.865 0.384 1.00 73.41 H new ATOM 0 HD3 LYS A 70 15.300 -21.152 -0.688 1.00 73.41 H new ATOM 0 HE2 LYS A 70 14.575 -22.623 1.876 1.00 5.22 H new ATOM 0 HE3 LYS A 70 14.824 -20.890 1.797 1.00 5.22 H new ATOM 0 HZ1 LYS A 70 12.515 -21.299 1.583 1.00 10.03 H new ATOM 0 HZ2 LYS A 70 13.062 -20.833 0.044 1.00 10.03 H new ATOM 0 HZ3 LYS A 70 12.746 -22.469 0.374 1.00 10.03 H new ATOM 1074 N GLN A 71 15.148 -23.804 -5.065 1.00 20.25 N ATOM 1075 CA GLN A 71 15.611 -23.981 -6.436 1.00 33.31 C ATOM 1076 C GLN A 71 14.664 -23.305 -7.422 1.00 13.24 C ATOM 1077 O GLN A 71 15.058 -22.950 -8.532 1.00 63.05 O ATOM 1078 CB GLN A 71 15.733 -25.470 -6.767 1.00 52.31 C ATOM 1079 CG GLN A 71 16.740 -25.768 -7.866 1.00 4.14 C ATOM 1080 CD GLN A 71 18.080 -26.223 -7.321 1.00 32.30 C ATOM 1081 OE1 GLN A 71 18.459 -25.876 -6.202 1.00 53.41 O ATOM 1082 NE2 GLN A 71 18.805 -27.006 -8.111 1.00 62.21 N ATOM 0 H GLN A 71 14.766 -24.647 -4.636 1.00 20.25 H new ATOM 0 HA GLN A 71 16.592 -23.514 -6.525 1.00 33.31 H new ATOM 0 HB2 GLN A 71 16.020 -26.012 -5.866 1.00 52.31 H new ATOM 0 HB3 GLN A 71 14.756 -25.848 -7.068 1.00 52.31 H new ATOM 0 HG2 GLN A 71 16.338 -26.540 -8.523 1.00 4.14 H new ATOM 0 HG3 GLN A 71 16.884 -24.875 -8.474 1.00 4.14 H new ATOM 0 HE21 GLN A 71 18.452 -27.269 -9.031 1.00 62.21 H new ATOM 0 HE22 GLN A 71 19.715 -27.344 -7.798 1.00 62.21 H new ATOM 1091 N ARG A 72 13.413 -23.130 -7.008 1.00 0.23 N ATOM 1092 CA ARG A 72 12.409 -22.497 -7.855 1.00 63.31 C ATOM 1093 C ARG A 72 12.369 -20.990 -7.619 1.00 25.45 C ATOM 1094 O ARG A 72 11.986 -20.223 -8.502 1.00 11.44 O ATOM 1095 CB ARG A 72 11.030 -23.103 -7.588 1.00 2.03 C ATOM 1096 CG ARG A 72 10.241 -23.402 -8.852 1.00 12.03 C ATOM 1097 CD ARG A 72 8.914 -22.658 -8.869 1.00 64.50 C ATOM 1098 NE ARG A 72 7.859 -23.437 -9.512 1.00 0.21 N ATOM 1099 CZ ARG A 72 6.710 -22.915 -9.927 1.00 21.12 C ATOM 1100 NH1 ARG A 72 6.470 -21.621 -9.767 1.00 51.14 N ATOM 1101 NH2 ARG A 72 5.799 -23.688 -10.503 1.00 74.31 N ATOM 0 H ARG A 72 13.071 -23.418 -6.091 1.00 0.23 H new ATOM 0 HA ARG A 72 12.682 -22.677 -8.895 1.00 63.31 H new ATOM 0 HB2 ARG A 72 11.152 -24.025 -7.019 1.00 2.03 H new ATOM 0 HB3 ARG A 72 10.456 -22.417 -6.965 1.00 2.03 H new ATOM 0 HG2 ARG A 72 10.829 -23.119 -9.725 1.00 12.03 H new ATOM 0 HG3 ARG A 72 10.059 -24.474 -8.924 1.00 12.03 H new ATOM 0 HD2 ARG A 72 8.618 -22.421 -7.847 1.00 64.50 H new ATOM 0 HD3 ARG A 72 9.036 -21.710 -9.394 1.00 64.50 H new ATOM 0 HE ARG A 72 8.013 -24.436 -9.650 1.00 0.21 H new ATOM 0 HH11 ARG A 72 7.168 -21.024 -9.324 1.00 51.14 H new ATOM 0 HH12 ARG A 72 5.587 -21.223 -10.087 1.00 51.14 H new ATOM 0 HH21 ARG A 72 5.980 -24.684 -10.628 1.00 74.31 H new ATOM 0 HH22 ARG A 72 4.917 -23.286 -10.821 1.00 74.31 H new ATOM 1115 N HIS A 73 12.768 -20.574 -6.421 1.00 13.24 N ATOM 1116 CA HIS A 73 12.778 -19.159 -6.068 1.00 14.43 C ATOM 1117 C HIS A 73 13.862 -18.864 -5.036 1.00 1.40 C ATOM 1118 O HIS A 73 13.589 -18.668 -3.851 1.00 64.24 O ATOM 1119 CB HIS A 73 11.412 -18.737 -5.524 1.00 20.40 C ATOM 1120 CG HIS A 73 10.277 -19.042 -6.453 1.00 25.30 C ATOM 1121 ND1 HIS A 73 9.906 -18.208 -7.486 1.00 14.00 N ATOM 1122 CD2 HIS A 73 9.432 -20.098 -6.501 1.00 63.44 C ATOM 1123 CE1 HIS A 73 8.880 -18.737 -8.129 1.00 14.15 C ATOM 1124 NE2 HIS A 73 8.573 -19.885 -7.551 1.00 42.42 N ATOM 0 H HIS A 73 13.088 -21.196 -5.679 1.00 13.24 H new ATOM 0 HA HIS A 73 12.994 -18.587 -6.970 1.00 14.43 H new ATOM 0 HB2 HIS A 73 11.238 -19.240 -4.573 1.00 20.40 H new ATOM 0 HB3 HIS A 73 11.426 -17.666 -5.320 1.00 20.40 H new ATOM 0 HD1 HIS A 73 10.354 -17.321 -7.718 1.00 14.00 H new ATOM 0 HD2 HIS A 73 9.433 -20.950 -5.837 1.00 63.44 H new ATOM 0 HE1 HIS A 73 8.378 -18.305 -8.982 1.00 14.15 H new ATOM 1132 N PRO A 74 15.122 -18.831 -5.494 1.00 43.21 N ATOM 1133 CA PRO A 74 16.273 -18.561 -4.627 1.00 41.41 C ATOM 1134 C PRO A 74 16.308 -17.115 -4.143 1.00 54.02 C ATOM 1135 O PRO A 74 17.124 -16.753 -3.297 1.00 23.53 O ATOM 1136 CB PRO A 74 17.474 -18.851 -5.531 1.00 10.22 C ATOM 1137 CG PRO A 74 16.966 -18.640 -6.915 1.00 40.43 C ATOM 1138 CD PRO A 74 15.521 -19.055 -6.894 1.00 12.50 C ATOM 0 HA PRO A 74 16.250 -19.164 -3.719 1.00 41.41 H new ATOM 0 HB2 PRO A 74 18.307 -18.184 -5.309 1.00 10.22 H new ATOM 0 HB3 PRO A 74 17.836 -19.870 -5.393 1.00 10.22 H new ATOM 0 HG2 PRO A 74 17.068 -17.597 -7.213 1.00 40.43 H new ATOM 0 HG3 PRO A 74 17.532 -19.233 -7.633 1.00 40.43 H new ATOM 0 HD2 PRO A 74 14.922 -18.459 -7.583 1.00 12.50 H new ATOM 0 HD3 PRO A 74 15.398 -20.098 -7.185 1.00 12.50 H new ATOM 1146 N MET A 75 15.416 -16.293 -4.686 1.00 15.21 N ATOM 1147 CA MET A 75 15.344 -14.886 -4.307 1.00 73.33 C ATOM 1148 C MET A 75 14.097 -14.611 -3.473 1.00 13.11 C ATOM 1149 O MET A 75 13.911 -13.506 -2.961 1.00 44.11 O ATOM 1150 CB MET A 75 15.343 -14.000 -5.554 1.00 42.22 C ATOM 1151 CG MET A 75 14.235 -14.337 -6.539 1.00 2.41 C ATOM 1152 SD MET A 75 13.138 -12.941 -6.854 1.00 1.21 S ATOM 1153 CE MET A 75 11.751 -13.356 -5.800 1.00 74.31 C ATOM 0 H MET A 75 14.734 -16.576 -5.389 1.00 15.21 H new ATOM 0 HA MET A 75 16.222 -14.652 -3.704 1.00 73.33 H new ATOM 0 HB2 MET A 75 15.242 -12.958 -5.249 1.00 42.22 H new ATOM 0 HB3 MET A 75 16.306 -14.094 -6.057 1.00 42.22 H new ATOM 0 HG2 MET A 75 14.678 -14.666 -7.479 1.00 2.41 H new ATOM 0 HG3 MET A 75 13.652 -15.172 -6.152 1.00 2.41 H new ATOM 0 HE1 MET A 75 10.885 -12.760 -6.087 1.00 74.31 H new ATOM 0 HE2 MET A 75 11.515 -14.415 -5.909 1.00 74.31 H new ATOM 0 HE3 MET A 75 12.008 -13.146 -4.762 1.00 74.31 H new ATOM 1163 N LEU A 76 13.244 -15.621 -3.340 1.00 25.21 N ATOM 1164 CA LEU A 76 12.014 -15.488 -2.567 1.00 42.44 C ATOM 1165 C LEU A 76 12.211 -15.986 -1.139 1.00 61.44 C ATOM 1166 O LEU A 76 12.400 -17.178 -0.892 1.00 45.44 O ATOM 1167 CB LEU A 76 10.880 -16.264 -3.239 1.00 41.11 C ATOM 1168 CG LEU A 76 9.533 -16.243 -2.517 1.00 15.41 C ATOM 1169 CD1 LEU A 76 8.881 -14.874 -2.642 1.00 63.02 C ATOM 1170 CD2 LEU A 76 8.615 -17.324 -3.068 1.00 70.31 C ATOM 0 H LEU A 76 13.382 -16.541 -3.758 1.00 25.21 H new ATOM 0 HA LEU A 76 11.750 -14.431 -2.529 1.00 42.44 H new ATOM 0 HB2 LEU A 76 10.738 -15.864 -4.243 1.00 41.11 H new ATOM 0 HB3 LEU A 76 11.193 -17.302 -3.351 1.00 41.11 H new ATOM 0 HG LEU A 76 9.707 -16.445 -1.460 1.00 15.41 H new ATOM 0 HD11 LEU A 76 7.923 -14.878 -2.122 1.00 63.02 H new ATOM 0 HD12 LEU A 76 9.531 -14.120 -2.199 1.00 63.02 H new ATOM 0 HD13 LEU A 76 8.721 -14.642 -3.695 1.00 63.02 H new ATOM 0 HD21 LEU A 76 7.661 -17.294 -2.542 1.00 70.31 H new ATOM 0 HD22 LEU A 76 8.449 -17.153 -4.132 1.00 70.31 H new ATOM 0 HD23 LEU A 76 9.077 -18.301 -2.926 1.00 70.31 H new ATOM 1182 N PRO A 77 12.164 -15.055 -0.175 1.00 75.22 N ATOM 1183 CA PRO A 77 12.332 -15.377 1.245 1.00 34.00 C ATOM 1184 C PRO A 77 11.149 -16.159 1.806 1.00 31.02 C ATOM 1185 O PRO A 77 10.000 -15.916 1.438 1.00 52.25 O ATOM 1186 CB PRO A 77 12.428 -14.002 1.911 1.00 21.22 C ATOM 1187 CG PRO A 77 11.705 -13.083 0.989 1.00 43.35 C ATOM 1188 CD PRO A 77 11.941 -13.617 -0.397 1.00 44.42 C ATOM 0 HA PRO A 77 13.201 -16.012 1.419 1.00 34.00 H new ATOM 0 HB2 PRO A 77 11.972 -14.009 2.901 1.00 21.22 H new ATOM 0 HB3 PRO A 77 13.466 -13.697 2.041 1.00 21.22 H new ATOM 0 HG2 PRO A 77 10.640 -13.056 1.221 1.00 43.35 H new ATOM 0 HG3 PRO A 77 12.078 -12.063 1.083 1.00 43.35 H new ATOM 0 HD2 PRO A 77 11.085 -13.439 -1.047 1.00 44.42 H new ATOM 0 HD3 PRO A 77 12.803 -13.145 -0.868 1.00 44.42 H new ATOM 1196 N VAL A 78 11.438 -17.099 2.700 1.00 33.33 N ATOM 1197 CA VAL A 78 10.398 -17.916 3.314 1.00 75.22 C ATOM 1198 C VAL A 78 10.639 -18.080 4.810 1.00 34.32 C ATOM 1199 O VAL A 78 11.764 -17.931 5.288 1.00 53.12 O ATOM 1200 CB VAL A 78 10.320 -19.309 2.662 1.00 63.44 C ATOM 1201 CG1 VAL A 78 9.102 -20.069 3.166 1.00 45.51 C ATOM 1202 CG2 VAL A 78 10.292 -19.187 1.146 1.00 41.44 C ATOM 0 H VAL A 78 12.384 -17.314 3.015 1.00 33.33 H new ATOM 0 HA VAL A 78 9.453 -17.396 3.156 1.00 75.22 H new ATOM 0 HB VAL A 78 11.211 -19.871 2.943 1.00 63.44 H new ATOM 0 HG11 VAL A 78 9.065 -21.051 2.694 1.00 45.51 H new ATOM 0 HG12 VAL A 78 9.170 -20.189 4.247 1.00 45.51 H new ATOM 0 HG13 VAL A 78 8.198 -19.513 2.919 1.00 45.51 H new ATOM 0 HG21 VAL A 78 10.237 -20.181 0.702 1.00 41.44 H new ATOM 0 HG22 VAL A 78 9.421 -18.606 0.844 1.00 41.44 H new ATOM 0 HG23 VAL A 78 11.198 -18.687 0.804 1.00 41.44 H new ATOM 1212 N ILE A 79 9.575 -18.389 5.545 1.00 44.12 N ATOM 1213 CA ILE A 79 9.672 -18.575 6.987 1.00 30.12 C ATOM 1214 C ILE A 79 8.943 -19.840 7.428 1.00 4.13 C ATOM 1215 O ILE A 79 7.846 -20.133 6.954 1.00 75.20 O ATOM 1216 CB ILE A 79 9.092 -17.370 7.751 1.00 42.45 C ATOM 1217 CG1 ILE A 79 9.579 -16.060 7.126 1.00 62.52 C ATOM 1218 CG2 ILE A 79 9.479 -17.438 9.220 1.00 1.53 C ATOM 1219 CD1 ILE A 79 8.879 -14.835 7.668 1.00 14.45 C ATOM 0 H ILE A 79 8.637 -18.516 5.165 1.00 44.12 H new ATOM 0 HA ILE A 79 10.732 -18.668 7.222 1.00 30.12 H new ATOM 0 HB ILE A 79 8.005 -17.403 7.680 1.00 42.45 H new ATOM 0 HG12 ILE A 79 10.651 -15.962 7.298 1.00 62.52 H new ATOM 0 HG13 ILE A 79 9.432 -16.105 6.047 1.00 62.52 H new ATOM 0 HG21 ILE A 79 9.062 -16.580 9.746 1.00 1.53 H new ATOM 0 HG22 ILE A 79 9.088 -18.357 9.657 1.00 1.53 H new ATOM 0 HG23 ILE A 79 10.565 -17.426 9.311 1.00 1.53 H new ATOM 0 HD11 ILE A 79 9.275 -13.944 7.180 1.00 14.45 H new ATOM 0 HD12 ILE A 79 7.809 -14.911 7.473 1.00 14.45 H new ATOM 0 HD13 ILE A 79 9.048 -14.765 8.743 1.00 14.45 H new ATOM 1231 N ILE A 80 9.561 -20.584 8.340 1.00 74.34 N ATOM 1232 CA ILE A 80 8.969 -21.816 8.847 1.00 62.20 C ATOM 1233 C ILE A 80 8.339 -21.599 10.219 1.00 61.25 C ATOM 1234 O ILE A 80 8.888 -20.888 11.059 1.00 2.04 O ATOM 1235 CB ILE A 80 10.014 -22.943 8.947 1.00 5.21 C ATOM 1236 CG1 ILE A 80 10.735 -23.121 7.609 1.00 54.41 C ATOM 1237 CG2 ILE A 80 9.352 -24.244 9.375 1.00 13.31 C ATOM 1238 CD1 ILE A 80 9.908 -23.845 6.569 1.00 10.34 C ATOM 0 H ILE A 80 10.470 -20.355 8.742 1.00 74.34 H new ATOM 0 HA ILE A 80 8.196 -22.110 8.137 1.00 62.20 H new ATOM 0 HB ILE A 80 10.751 -22.668 9.702 1.00 5.21 H new ATOM 0 HG12 ILE A 80 11.013 -22.141 7.222 1.00 54.41 H new ATOM 0 HG13 ILE A 80 11.660 -23.673 7.775 1.00 54.41 H new ATOM 0 HG21 ILE A 80 10.104 -25.030 9.441 1.00 13.31 H new ATOM 0 HG22 ILE A 80 8.881 -24.110 10.349 1.00 13.31 H new ATOM 0 HG23 ILE A 80 8.596 -24.526 8.642 1.00 13.31 H new ATOM 0 HD11 ILE A 80 10.482 -23.935 5.647 1.00 10.34 H new ATOM 0 HD12 ILE A 80 9.651 -24.839 6.936 1.00 10.34 H new ATOM 0 HD13 ILE A 80 8.995 -23.283 6.375 1.00 10.34 H new ATOM 1250 N MET A 81 7.184 -22.219 10.438 1.00 51.44 N ATOM 1251 CA MET A 81 6.480 -22.096 11.709 1.00 43.40 C ATOM 1252 C MET A 81 6.287 -23.462 12.358 1.00 70.41 C ATOM 1253 O MET A 81 5.693 -24.364 11.766 1.00 71.31 O ATOM 1254 CB MET A 81 5.123 -21.420 11.502 1.00 4.21 C ATOM 1255 CG MET A 81 5.175 -19.905 11.620 1.00 73.14 C ATOM 1256 SD MET A 81 4.254 -19.075 10.310 1.00 31.31 S ATOM 1257 CE MET A 81 2.635 -19.813 10.515 1.00 14.12 C ATOM 0 H MET A 81 6.716 -22.811 9.752 1.00 51.44 H new ATOM 0 HA MET A 81 7.087 -21.480 12.373 1.00 43.40 H new ATOM 0 HB2 MET A 81 4.740 -21.687 10.517 1.00 4.21 H new ATOM 0 HB3 MET A 81 4.417 -21.809 12.235 1.00 4.21 H new ATOM 0 HG2 MET A 81 4.773 -19.606 12.588 1.00 73.14 H new ATOM 0 HG3 MET A 81 6.214 -19.578 11.592 1.00 73.14 H new ATOM 0 HE1 MET A 81 2.177 -19.964 9.537 1.00 14.12 H new ATOM 0 HE2 MET A 81 2.734 -20.773 11.021 1.00 14.12 H new ATOM 0 HE3 MET A 81 2.007 -19.152 11.112 1.00 14.12 H new ATOM 1267 N THR A 82 6.793 -23.610 13.579 1.00 73.14 N ATOM 1268 CA THR A 82 6.677 -24.867 14.307 1.00 71.21 C ATOM 1269 C THR A 82 7.354 -24.778 15.669 1.00 5.44 C ATOM 1270 O THR A 82 6.726 -24.415 16.663 1.00 33.11 O ATOM 1271 CB THR A 82 7.295 -26.035 13.514 1.00 1.55 C ATOM 1272 OG1 THR A 82 7.655 -27.096 14.406 1.00 2.52 O ATOM 1273 CG2 THR A 82 8.523 -25.575 12.743 1.00 0.32 C ATOM 0 H THR A 82 7.287 -22.874 14.084 1.00 73.14 H new ATOM 0 HA THR A 82 5.612 -25.055 14.445 1.00 71.21 H new ATOM 0 HB THR A 82 6.553 -26.396 12.802 1.00 1.55 H new ATOM 0 HG1 THR A 82 6.889 -27.696 14.527 1.00 2.52 H new ATOM 0 HG21 THR A 82 8.942 -26.416 12.191 1.00 0.32 H new ATOM 0 HG22 THR A 82 8.240 -24.787 12.045 1.00 0.32 H new ATOM 0 HG23 THR A 82 9.268 -25.191 13.440 1.00 0.32 H new ATOM 1281 N ALA A 83 8.641 -25.110 15.708 1.00 13.34 N ATOM 1282 CA ALA A 83 9.404 -25.064 16.949 1.00 2.22 C ATOM 1283 C ALA A 83 8.844 -26.044 17.975 1.00 44.42 C ATOM 1284 O ALA A 83 8.266 -25.639 18.984 1.00 50.21 O ATOM 1285 CB ALA A 83 9.409 -23.651 17.514 1.00 41.00 C ATOM 0 H ALA A 83 9.176 -25.414 14.895 1.00 13.34 H new ATOM 0 HA ALA A 83 10.430 -25.358 16.727 1.00 2.22 H new ATOM 0 HB1 ALA A 83 9.982 -23.632 18.441 1.00 41.00 H new ATOM 0 HB2 ALA A 83 9.863 -22.972 16.792 1.00 41.00 H new ATOM 0 HB3 ALA A 83 8.385 -23.336 17.714 1.00 41.00 H new ATOM 1291 N HIS A 84 9.019 -27.334 17.710 1.00 22.51 N ATOM 1292 CA HIS A 84 8.531 -28.373 18.611 1.00 52.41 C ATOM 1293 C HIS A 84 8.905 -29.759 18.096 1.00 73.14 C ATOM 1294 O HIS A 84 9.182 -30.669 18.877 1.00 11.44 O ATOM 1295 CB HIS A 84 7.014 -28.267 18.770 1.00 12.11 C ATOM 1296 CG HIS A 84 6.266 -28.394 17.479 1.00 53.12 C ATOM 1297 ND1 HIS A 84 5.984 -29.608 16.889 1.00 51.13 N ATOM 1298 CD2 HIS A 84 5.739 -27.450 16.664 1.00 13.14 C ATOM 1299 CE1 HIS A 84 5.317 -29.405 15.766 1.00 24.02 C ATOM 1300 NE2 HIS A 84 5.155 -28.104 15.607 1.00 1.13 N ATOM 0 H HIS A 84 9.495 -27.686 16.879 1.00 22.51 H new ATOM 0 HA HIS A 84 9.002 -28.227 19.583 1.00 52.41 H new ATOM 0 HB2 HIS A 84 6.674 -29.043 19.455 1.00 12.11 H new ATOM 0 HB3 HIS A 84 6.771 -27.308 19.228 1.00 12.11 H new ATOM 0 HD2 HIS A 84 5.772 -26.381 16.817 1.00 13.14 H new ATOM 0 HE1 HIS A 84 4.964 -30.173 15.093 1.00 24.02 H new ATOM 0 HE2 HIS A 84 4.674 -27.657 14.826 1.00 1.13 H new ATOM 1308 N SER A 85 8.909 -29.913 16.775 1.00 24.03 N ATOM 1309 CA SER A 85 9.245 -31.190 16.156 1.00 53.22 C ATOM 1310 C SER A 85 9.647 -30.997 14.697 1.00 54.32 C ATOM 1311 O SER A 85 9.418 -31.868 13.858 1.00 61.41 O ATOM 1312 CB SER A 85 8.059 -32.152 16.247 1.00 54.11 C ATOM 1313 OG SER A 85 8.429 -33.458 15.839 1.00 54.42 O ATOM 0 H SER A 85 8.684 -29.170 16.114 1.00 24.03 H new ATOM 0 HA SER A 85 10.091 -31.616 16.695 1.00 53.22 H new ATOM 0 HB2 SER A 85 7.687 -32.179 17.271 1.00 54.11 H new ATOM 0 HB3 SER A 85 7.244 -31.789 15.621 1.00 54.11 H new ATOM 0 HG SER A 85 8.816 -33.422 14.939 1.00 54.42 H new ATOM 1319 N ASP A 86 10.247 -29.849 14.402 1.00 15.31 N ATOM 1320 CA ASP A 86 10.682 -29.540 13.045 1.00 0.10 C ATOM 1321 C ASP A 86 11.956 -28.701 13.061 1.00 51.21 C ATOM 1322 O ASP A 86 12.859 -28.908 12.249 1.00 32.10 O ATOM 1323 CB ASP A 86 9.578 -28.799 12.288 1.00 22.44 C ATOM 1324 CG ASP A 86 8.688 -29.738 11.498 1.00 31.22 C ATOM 1325 OD1 ASP A 86 9.213 -30.453 10.619 1.00 35.00 O ATOM 1326 OD2 ASP A 86 7.466 -29.758 11.758 1.00 4.52 O ATOM 0 H ASP A 86 10.443 -29.117 15.085 1.00 15.31 H new ATOM 0 HA ASP A 86 10.893 -30.480 12.535 1.00 0.10 H new ATOM 0 HB2 ASP A 86 8.970 -28.237 12.997 1.00 22.44 H new ATOM 0 HB3 ASP A 86 10.029 -28.074 11.610 1.00 22.44 H new ATOM 1331 N LEU A 87 12.022 -27.752 13.989 1.00 71.33 N ATOM 1332 CA LEU A 87 13.185 -26.880 14.110 1.00 21.30 C ATOM 1333 C LEU A 87 14.477 -27.692 14.109 1.00 54.23 C ATOM 1334 O LEU A 87 15.427 -27.363 13.399 1.00 4.02 O ATOM 1335 CB LEU A 87 13.093 -26.049 15.391 1.00 73.40 C ATOM 1336 CG LEU A 87 12.723 -24.577 15.211 1.00 45.55 C ATOM 1337 CD1 LEU A 87 11.387 -24.445 14.496 1.00 45.10 C ATOM 1338 CD2 LEU A 87 12.683 -23.868 16.557 1.00 75.13 C ATOM 0 H LEU A 87 11.284 -27.567 14.668 1.00 71.33 H new ATOM 0 HA LEU A 87 13.197 -26.211 13.250 1.00 21.30 H new ATOM 0 HB2 LEU A 87 12.355 -26.511 16.047 1.00 73.40 H new ATOM 0 HB3 LEU A 87 14.053 -26.101 15.904 1.00 73.40 H new ATOM 0 HG LEU A 87 13.488 -24.103 14.596 1.00 45.55 H new ATOM 0 HD11 LEU A 87 11.141 -23.390 14.377 1.00 45.10 H new ATOM 0 HD12 LEU A 87 11.451 -24.915 13.515 1.00 45.10 H new ATOM 0 HD13 LEU A 87 10.610 -24.935 15.083 1.00 45.10 H new ATOM 0 HD21 LEU A 87 12.418 -22.821 16.409 1.00 75.13 H new ATOM 0 HD22 LEU A 87 11.940 -24.344 17.197 1.00 75.13 H new ATOM 0 HD23 LEU A 87 13.663 -23.931 17.031 1.00 75.13 H new ATOM 1350 N ASP A 88 14.502 -28.754 14.906 1.00 23.10 N ATOM 1351 CA ASP A 88 15.676 -29.615 14.995 1.00 71.33 C ATOM 1352 C ASP A 88 16.228 -29.926 13.607 1.00 73.41 C ATOM 1353 O ASP A 88 17.441 -29.945 13.400 1.00 34.24 O ATOM 1354 CB ASP A 88 15.327 -30.915 15.722 1.00 43.03 C ATOM 1355 CG ASP A 88 16.496 -31.879 15.775 1.00 32.55 C ATOM 1356 OD1 ASP A 88 17.649 -31.410 15.872 1.00 62.03 O ATOM 1357 OD2 ASP A 88 16.257 -33.104 15.722 1.00 13.23 O ATOM 0 H ASP A 88 13.723 -29.040 15.500 1.00 23.10 H new ATOM 0 HA ASP A 88 16.443 -29.086 15.561 1.00 71.33 H new ATOM 0 HB2 ASP A 88 15.003 -30.685 16.737 1.00 43.03 H new ATOM 0 HB3 ASP A 88 14.487 -31.394 15.220 1.00 43.03 H new ATOM 1362 N ALA A 89 15.328 -30.171 12.659 1.00 5.04 N ATOM 1363 CA ALA A 89 15.725 -30.480 11.291 1.00 22.43 C ATOM 1364 C ALA A 89 15.883 -29.209 10.464 1.00 12.15 C ATOM 1365 O ALA A 89 16.896 -29.015 9.793 1.00 32.32 O ATOM 1366 CB ALA A 89 14.709 -31.410 10.645 1.00 62.33 C ATOM 0 H ALA A 89 14.320 -30.161 12.814 1.00 5.04 H new ATOM 0 HA ALA A 89 16.692 -30.982 11.324 1.00 22.43 H new ATOM 0 HB1 ALA A 89 15.018 -31.633 9.624 1.00 62.33 H new ATOM 0 HB2 ALA A 89 14.649 -32.336 11.216 1.00 62.33 H new ATOM 0 HB3 ALA A 89 13.731 -30.928 10.632 1.00 62.33 H new ATOM 1372 N ALA A 90 14.874 -28.345 10.517 1.00 31.34 N ATOM 1373 CA ALA A 90 14.902 -27.092 9.774 1.00 14.32 C ATOM 1374 C ALA A 90 16.199 -26.332 10.028 1.00 42.14 C ATOM 1375 O ALA A 90 16.701 -25.629 9.150 1.00 74.32 O ATOM 1376 CB ALA A 90 13.703 -26.232 10.145 1.00 12.54 C ATOM 0 H ALA A 90 14.027 -28.491 11.067 1.00 31.34 H new ATOM 0 HA ALA A 90 14.852 -27.327 8.711 1.00 14.32 H new ATOM 0 HB1 ALA A 90 13.737 -25.299 9.583 1.00 12.54 H new ATOM 0 HB2 ALA A 90 12.784 -26.767 9.906 1.00 12.54 H new ATOM 0 HB3 ALA A 90 13.729 -26.013 11.213 1.00 12.54 H new ATOM 1382 N VAL A 91 16.738 -26.477 11.234 1.00 5.40 N ATOM 1383 CA VAL A 91 17.978 -25.804 11.603 1.00 43.01 C ATOM 1384 C VAL A 91 19.048 -25.999 10.534 1.00 2.05 C ATOM 1385 O VAL A 91 19.572 -25.032 9.982 1.00 53.33 O ATOM 1386 CB VAL A 91 18.516 -26.318 12.952 1.00 52.22 C ATOM 1387 CG1 VAL A 91 19.967 -25.903 13.142 1.00 53.52 C ATOM 1388 CG2 VAL A 91 17.653 -25.810 14.097 1.00 51.11 C ATOM 0 H VAL A 91 16.336 -27.054 11.972 1.00 5.40 H new ATOM 0 HA VAL A 91 17.747 -24.743 11.693 1.00 43.01 H new ATOM 0 HB VAL A 91 18.473 -27.407 12.950 1.00 52.22 H new ATOM 0 HG11 VAL A 91 20.329 -26.275 14.100 1.00 53.52 H new ATOM 0 HG12 VAL A 91 20.573 -26.320 12.338 1.00 53.52 H new ATOM 0 HG13 VAL A 91 20.040 -24.816 13.124 1.00 53.52 H new ATOM 0 HG21 VAL A 91 18.047 -26.182 15.043 1.00 51.11 H new ATOM 0 HG22 VAL A 91 17.663 -24.720 14.104 1.00 51.11 H new ATOM 0 HG23 VAL A 91 16.630 -26.163 13.966 1.00 51.11 H new ATOM 1398 N SER A 92 19.368 -27.257 10.248 1.00 43.10 N ATOM 1399 CA SER A 92 20.379 -27.580 9.247 1.00 12.44 C ATOM 1400 C SER A 92 19.759 -27.661 7.856 1.00 51.43 C ATOM 1401 O SER A 92 20.325 -27.164 6.882 1.00 31.13 O ATOM 1402 CB SER A 92 21.063 -28.904 9.591 1.00 33.24 C ATOM 1403 OG SER A 92 21.348 -29.650 8.421 1.00 73.04 O ATOM 0 H SER A 92 18.942 -28.069 10.695 1.00 43.10 H new ATOM 0 HA SER A 92 21.124 -26.784 9.248 1.00 12.44 H new ATOM 0 HB2 SER A 92 21.987 -28.709 10.136 1.00 33.24 H new ATOM 0 HB3 SER A 92 20.421 -29.488 10.251 1.00 33.24 H new ATOM 0 HG SER A 92 21.786 -30.491 8.668 1.00 73.04 H new ATOM 1409 N ALA A 93 18.592 -28.290 7.771 1.00 73.54 N ATOM 1410 CA ALA A 93 17.893 -28.436 6.500 1.00 51.43 C ATOM 1411 C ALA A 93 17.539 -27.075 5.909 1.00 1.23 C ATOM 1412 O ALA A 93 18.013 -26.713 4.832 1.00 11.51 O ATOM 1413 CB ALA A 93 16.638 -29.277 6.680 1.00 22.04 C ATOM 0 H ALA A 93 18.110 -28.707 8.567 1.00 73.54 H new ATOM 0 HA ALA A 93 18.560 -28.944 5.804 1.00 51.43 H new ATOM 0 HB1 ALA A 93 16.127 -29.377 5.723 1.00 22.04 H new ATOM 0 HB2 ALA A 93 16.912 -30.265 7.050 1.00 22.04 H new ATOM 0 HB3 ALA A 93 15.975 -28.792 7.396 1.00 22.04 H new ATOM 1419 N TYR A 94 16.704 -26.326 6.620 1.00 12.14 N ATOM 1420 CA TYR A 94 16.284 -25.006 6.165 1.00 41.13 C ATOM 1421 C TYR A 94 17.491 -24.105 5.920 1.00 73.14 C ATOM 1422 O TYR A 94 17.395 -23.101 5.214 1.00 24.04 O ATOM 1423 CB TYR A 94 15.353 -24.361 7.192 1.00 35.03 C ATOM 1424 CG TYR A 94 14.409 -23.340 6.598 1.00 73.55 C ATOM 1425 CD1 TYR A 94 13.744 -23.593 5.403 1.00 4.24 C ATOM 1426 CD2 TYR A 94 14.182 -22.124 7.229 1.00 52.23 C ATOM 1427 CE1 TYR A 94 12.882 -22.663 4.856 1.00 73.24 C ATOM 1428 CE2 TYR A 94 13.320 -21.189 6.689 1.00 13.01 C ATOM 1429 CZ TYR A 94 12.672 -21.463 5.502 1.00 22.15 C ATOM 1430 OH TYR A 94 11.814 -20.534 4.961 1.00 52.10 O ATOM 0 H TYR A 94 16.304 -26.611 7.514 1.00 12.14 H new ATOM 0 HA TYR A 94 15.747 -25.128 5.224 1.00 41.13 H new ATOM 0 HB2 TYR A 94 14.770 -25.141 7.681 1.00 35.03 H new ATOM 0 HB3 TYR A 94 15.954 -23.881 7.964 1.00 35.03 H new ATOM 0 HD1 TYR A 94 13.904 -24.532 4.894 1.00 4.24 H new ATOM 0 HD2 TYR A 94 14.688 -21.905 8.158 1.00 52.23 H new ATOM 0 HE1 TYR A 94 12.375 -22.875 3.926 1.00 73.24 H new ATOM 0 HE2 TYR A 94 13.154 -20.248 7.193 1.00 13.01 H new ATOM 0 HH TYR A 94 12.218 -19.643 5.019 1.00 52.10 H new ATOM 1440 N GLN A 95 18.625 -24.473 6.507 1.00 33.10 N ATOM 1441 CA GLN A 95 19.851 -23.699 6.353 1.00 54.21 C ATOM 1442 C GLN A 95 20.402 -23.828 4.937 1.00 55.24 C ATOM 1443 O GLN A 95 21.465 -23.293 4.624 1.00 72.12 O ATOM 1444 CB GLN A 95 20.901 -24.160 7.365 1.00 14.43 C ATOM 1445 CG GLN A 95 21.116 -23.180 8.507 1.00 0.42 C ATOM 1446 CD GLN A 95 21.948 -21.980 8.098 1.00 24.50 C ATOM 1447 OE1 GLN A 95 22.408 -21.889 6.959 1.00 4.05 O ATOM 1448 NE2 GLN A 95 22.147 -21.052 9.027 1.00 74.42 N ATOM 0 H GLN A 95 18.720 -25.302 7.093 1.00 33.10 H new ATOM 0 HA GLN A 95 19.614 -22.651 6.537 1.00 54.21 H new ATOM 0 HB2 GLN A 95 20.599 -25.123 7.776 1.00 14.43 H new ATOM 0 HB3 GLN A 95 21.848 -24.316 6.848 1.00 14.43 H new ATOM 0 HG2 GLN A 95 20.148 -22.838 8.874 1.00 0.42 H new ATOM 0 HG3 GLN A 95 21.607 -23.693 9.333 1.00 0.42 H new ATOM 0 HE21 GLN A 95 21.747 -21.168 9.958 1.00 74.42 H new ATOM 0 HE22 GLN A 95 22.700 -20.223 8.809 1.00 74.42 H new ATOM 1457 N GLN A 96 19.671 -24.541 4.085 1.00 1.15 N ATOM 1458 CA GLN A 96 20.088 -24.741 2.703 1.00 42.33 C ATOM 1459 C GLN A 96 19.927 -23.457 1.895 1.00 71.34 C ATOM 1460 O GLN A 96 19.822 -23.492 0.669 1.00 32.44 O ATOM 1461 CB GLN A 96 19.277 -25.867 2.061 1.00 74.14 C ATOM 1462 CG GLN A 96 17.802 -25.537 1.895 1.00 10.45 C ATOM 1463 CD GLN A 96 16.976 -26.741 1.488 1.00 42.21 C ATOM 1464 OE1 GLN A 96 16.228 -26.693 0.511 1.00 20.11 O ATOM 1465 NE2 GLN A 96 17.108 -27.830 2.236 1.00 13.11 N ATOM 0 H GLN A 96 18.788 -24.989 4.328 1.00 1.15 H new ATOM 0 HA GLN A 96 21.142 -25.018 2.704 1.00 42.33 H new ATOM 0 HB2 GLN A 96 19.701 -26.097 1.084 1.00 74.14 H new ATOM 0 HB3 GLN A 96 19.373 -26.766 2.670 1.00 74.14 H new ATOM 0 HG2 GLN A 96 17.416 -25.136 2.832 1.00 10.45 H new ATOM 0 HG3 GLN A 96 17.691 -24.755 1.144 1.00 10.45 H new ATOM 0 HE21 GLN A 96 17.740 -27.825 3.037 1.00 13.11 H new ATOM 0 HE22 GLN A 96 16.578 -28.671 2.010 1.00 13.11 H new ATOM 1474 N GLY A 97 19.908 -22.324 2.590 1.00 33.11 N ATOM 1475 CA GLY A 97 19.758 -21.045 1.921 1.00 62.34 C ATOM 1476 C GLY A 97 18.401 -20.417 2.168 1.00 43.42 C ATOM 1477 O GLY A 97 17.858 -19.735 1.299 1.00 1.11 O ATOM 0 H GLY A 97 19.994 -22.269 3.605 1.00 33.11 H new ATOM 0 HA2 GLY A 97 20.538 -20.365 2.265 1.00 62.34 H new ATOM 0 HA3 GLY A 97 19.903 -21.180 0.849 1.00 62.34 H new ATOM 1481 N ALA A 98 17.852 -20.647 3.356 1.00 74.14 N ATOM 1482 CA ALA A 98 16.550 -20.098 3.714 1.00 11.05 C ATOM 1483 C ALA A 98 16.690 -18.985 4.747 1.00 14.23 C ATOM 1484 O ALA A 98 17.764 -18.780 5.312 1.00 1.33 O ATOM 1485 CB ALA A 98 15.640 -21.198 4.241 1.00 40.10 C ATOM 0 H ALA A 98 18.288 -21.209 4.087 1.00 74.14 H new ATOM 0 HA ALA A 98 16.103 -19.671 2.816 1.00 11.05 H new ATOM 0 HB1 ALA A 98 14.671 -20.774 4.504 1.00 40.10 H new ATOM 0 HB2 ALA A 98 15.506 -21.959 3.472 1.00 40.10 H new ATOM 0 HB3 ALA A 98 16.090 -21.651 5.125 1.00 40.10 H new ATOM 1491 N PHE A 99 15.597 -18.268 4.989 1.00 42.20 N ATOM 1492 CA PHE A 99 15.599 -17.174 5.953 1.00 14.40 C ATOM 1493 C PHE A 99 15.306 -17.688 7.360 1.00 54.45 C ATOM 1494 O PHE A 99 14.656 -18.719 7.532 1.00 14.24 O ATOM 1495 CB PHE A 99 14.565 -16.117 5.558 1.00 11.25 C ATOM 1496 CG PHE A 99 14.330 -15.082 6.622 1.00 72.15 C ATOM 1497 CD1 PHE A 99 13.385 -15.291 7.613 1.00 2.14 C ATOM 1498 CD2 PHE A 99 15.053 -13.900 6.629 1.00 60.25 C ATOM 1499 CE1 PHE A 99 13.167 -14.341 8.593 1.00 15.04 C ATOM 1500 CE2 PHE A 99 14.839 -12.947 7.606 1.00 1.11 C ATOM 1501 CZ PHE A 99 13.894 -13.167 8.589 1.00 51.01 C ATOM 0 H PHE A 99 14.699 -18.425 4.531 1.00 42.20 H new ATOM 0 HA PHE A 99 16.591 -16.722 5.950 1.00 14.40 H new ATOM 0 HB2 PHE A 99 14.895 -15.620 4.646 1.00 11.25 H new ATOM 0 HB3 PHE A 99 13.621 -16.611 5.328 1.00 11.25 H new ATOM 0 HD1 PHE A 99 12.812 -16.207 7.620 1.00 2.14 H new ATOM 0 HD2 PHE A 99 15.792 -13.722 5.862 1.00 60.25 H new ATOM 0 HE1 PHE A 99 12.429 -14.517 9.361 1.00 15.04 H new ATOM 0 HE2 PHE A 99 15.410 -12.030 7.601 1.00 1.11 H new ATOM 0 HZ PHE A 99 13.724 -12.423 9.353 1.00 51.01 H new ATOM 1511 N ASP A 100 15.790 -16.962 8.361 1.00 44.21 N ATOM 1512 CA ASP A 100 15.581 -17.343 9.753 1.00 51.11 C ATOM 1513 C ASP A 100 14.102 -17.589 10.032 1.00 15.12 C ATOM 1514 O ASP A 100 13.319 -16.647 10.161 1.00 32.42 O ATOM 1515 CB ASP A 100 16.115 -16.256 10.687 1.00 23.43 C ATOM 1516 CG ASP A 100 16.929 -16.826 11.832 1.00 22.43 C ATOM 1517 OD1 ASP A 100 16.338 -17.500 12.702 1.00 64.54 O ATOM 1518 OD2 ASP A 100 18.157 -16.598 11.860 1.00 52.24 O ATOM 0 H ASP A 100 16.330 -16.106 8.235 1.00 44.21 H new ATOM 0 HA ASP A 100 16.126 -18.269 9.937 1.00 51.11 H new ATOM 0 HB2 ASP A 100 16.732 -15.562 10.117 1.00 23.43 H new ATOM 0 HB3 ASP A 100 15.279 -15.683 11.089 1.00 23.43 H new ATOM 1523 N TYR A 101 13.725 -18.860 10.123 1.00 5.43 N ATOM 1524 CA TYR A 101 12.339 -19.230 10.384 1.00 44.34 C ATOM 1525 C TYR A 101 11.835 -18.582 11.669 1.00 12.33 C ATOM 1526 O TYR A 101 12.568 -17.855 12.341 1.00 15.35 O ATOM 1527 CB TYR A 101 12.205 -20.750 10.479 1.00 72.41 C ATOM 1528 CG TYR A 101 13.286 -21.403 11.310 1.00 63.10 C ATOM 1529 CD1 TYR A 101 13.507 -21.017 12.626 1.00 12.12 C ATOM 1530 CD2 TYR A 101 14.087 -22.407 10.779 1.00 50.11 C ATOM 1531 CE1 TYR A 101 14.494 -21.610 13.389 1.00 63.03 C ATOM 1532 CE2 TYR A 101 15.076 -23.007 11.535 1.00 52.35 C ATOM 1533 CZ TYR A 101 15.276 -22.604 12.839 1.00 71.54 C ATOM 1534 OH TYR A 101 16.260 -23.199 13.595 1.00 14.24 O ATOM 0 H TYR A 101 14.360 -19.651 10.020 1.00 5.43 H new ATOM 0 HA TYR A 101 11.731 -18.869 9.555 1.00 44.34 H new ATOM 0 HB2 TYR A 101 11.233 -20.994 10.906 1.00 72.41 H new ATOM 0 HB3 TYR A 101 12.227 -21.172 9.474 1.00 72.41 H new ATOM 0 HD1 TYR A 101 12.896 -20.239 13.060 1.00 12.12 H new ATOM 0 HD2 TYR A 101 13.934 -22.724 9.758 1.00 50.11 H new ATOM 0 HE1 TYR A 101 14.652 -21.297 14.410 1.00 63.03 H new ATOM 0 HE2 TYR A 101 15.689 -23.787 11.107 1.00 52.35 H new ATOM 0 HH TYR A 101 17.137 -23.006 13.201 1.00 14.24 H new ATOM 1544 N LEU A 102 10.578 -18.851 12.006 1.00 42.12 N ATOM 1545 CA LEU A 102 9.973 -18.296 13.212 1.00 43.45 C ATOM 1546 C LEU A 102 9.196 -19.365 13.973 1.00 4.21 C ATOM 1547 O LEU A 102 8.328 -20.044 13.426 1.00 53.04 O ATOM 1548 CB LEU A 102 9.045 -17.134 12.852 1.00 44.12 C ATOM 1549 CG LEU A 102 7.935 -16.825 13.857 1.00 23.40 C ATOM 1550 CD1 LEU A 102 8.499 -16.102 15.070 1.00 43.32 C ATOM 1551 CD2 LEU A 102 6.838 -15.999 13.203 1.00 50.42 C ATOM 0 H LEU A 102 9.958 -19.450 11.461 1.00 42.12 H new ATOM 0 HA LEU A 102 10.773 -17.929 13.854 1.00 43.45 H new ATOM 0 HB2 LEU A 102 9.651 -16.237 12.724 1.00 44.12 H new ATOM 0 HB3 LEU A 102 8.585 -17.348 11.887 1.00 44.12 H new ATOM 0 HG LEU A 102 7.501 -17.767 14.191 1.00 23.40 H new ATOM 0 HD11 LEU A 102 7.694 -15.890 15.774 1.00 43.32 H new ATOM 0 HD12 LEU A 102 9.248 -16.730 15.553 1.00 43.32 H new ATOM 0 HD13 LEU A 102 8.960 -15.166 14.754 1.00 43.32 H new ATOM 0 HD21 LEU A 102 6.057 -15.789 13.933 1.00 50.42 H new ATOM 0 HD22 LEU A 102 7.257 -15.061 12.839 1.00 50.42 H new ATOM 0 HD23 LEU A 102 6.413 -16.555 12.367 1.00 50.42 H new ATOM 1563 N PRO A 103 9.513 -19.518 15.267 1.00 5.23 N ATOM 1564 CA PRO A 103 8.855 -20.501 16.133 1.00 50.22 C ATOM 1565 C PRO A 103 7.406 -20.132 16.430 1.00 35.43 C ATOM 1566 O PRO A 103 7.026 -18.963 16.368 1.00 53.14 O ATOM 1567 CB PRO A 103 9.691 -20.461 17.415 1.00 73.24 C ATOM 1568 CG PRO A 103 10.302 -19.103 17.426 1.00 10.43 C ATOM 1569 CD PRO A 103 10.539 -18.743 15.986 1.00 51.33 C ATOM 0 HA PRO A 103 8.808 -21.486 15.670 1.00 50.22 H new ATOM 0 HB2 PRO A 103 9.071 -20.624 18.297 1.00 73.24 H new ATOM 0 HB3 PRO A 103 10.455 -21.239 17.414 1.00 73.24 H new ATOM 0 HG2 PRO A 103 9.640 -18.381 17.905 1.00 10.43 H new ATOM 0 HG3 PRO A 103 11.236 -19.100 17.988 1.00 10.43 H new ATOM 0 HD2 PRO A 103 10.426 -17.672 15.816 1.00 51.33 H new ATOM 0 HD3 PRO A 103 11.545 -19.013 15.665 1.00 51.33 H new ATOM 1577 N LYS A 104 6.599 -21.137 16.755 1.00 61.32 N ATOM 1578 CA LYS A 104 5.191 -20.920 17.064 1.00 10.32 C ATOM 1579 C LYS A 104 4.871 -21.369 18.486 1.00 14.02 C ATOM 1580 O LYS A 104 5.415 -22.352 18.990 1.00 52.22 O ATOM 1581 CB LYS A 104 4.306 -21.673 16.068 1.00 24.34 C ATOM 1582 CG LYS A 104 3.885 -20.835 14.874 1.00 61.43 C ATOM 1583 CD LYS A 104 2.629 -21.387 14.221 1.00 72.02 C ATOM 1584 CE LYS A 104 1.388 -20.633 14.674 1.00 20.12 C ATOM 1585 NZ LYS A 104 0.841 -21.179 15.947 1.00 25.23 N ATOM 0 H LYS A 104 6.897 -22.111 16.811 1.00 61.32 H new ATOM 0 HA LYS A 104 4.988 -19.852 16.985 1.00 10.32 H new ATOM 0 HB2 LYS A 104 4.841 -22.553 15.713 1.00 24.34 H new ATOM 0 HB3 LYS A 104 3.414 -22.029 16.584 1.00 24.34 H new ATOM 0 HG2 LYS A 104 3.709 -19.808 15.193 1.00 61.43 H new ATOM 0 HG3 LYS A 104 4.694 -20.808 14.144 1.00 61.43 H new ATOM 0 HD2 LYS A 104 2.722 -21.320 13.137 1.00 72.02 H new ATOM 0 HD3 LYS A 104 2.524 -22.444 14.467 1.00 72.02 H new ATOM 0 HE2 LYS A 104 1.632 -19.579 14.806 1.00 20.12 H new ATOM 0 HE3 LYS A 104 0.625 -20.689 13.897 1.00 20.12 H new ATOM 0 HZ1 LYS A 104 -0.041 -20.683 16.187 1.00 25.23 H new ATOM 0 HZ2 LYS A 104 0.648 -22.195 15.835 1.00 25.23 H new ATOM 0 HZ3 LYS A 104 1.534 -21.041 16.710 1.00 25.23 H new ATOM 1599 N PRO A 105 3.965 -20.635 19.150 1.00 43.21 N ATOM 1600 CA PRO A 105 3.311 -19.462 18.561 1.00 64.51 C ATOM 1601 C PRO A 105 4.272 -18.292 18.380 1.00 63.40 C ATOM 1602 O PRO A 105 5.433 -18.361 18.785 1.00 61.13 O ATOM 1603 CB PRO A 105 2.227 -19.111 19.582 1.00 11.33 C ATOM 1604 CG PRO A 105 2.733 -19.653 20.874 1.00 20.12 C ATOM 1605 CD PRO A 105 3.511 -20.892 20.527 1.00 71.22 C ATOM 0 HA PRO A 105 2.925 -19.669 17.563 1.00 64.51 H new ATOM 0 HB2 PRO A 105 2.071 -18.034 19.639 1.00 11.33 H new ATOM 0 HB3 PRO A 105 1.270 -19.558 19.313 1.00 11.33 H new ATOM 0 HG2 PRO A 105 3.365 -18.925 21.382 1.00 20.12 H new ATOM 0 HG3 PRO A 105 1.909 -19.886 21.549 1.00 20.12 H new ATOM 0 HD2 PRO A 105 4.351 -21.042 21.206 1.00 71.22 H new ATOM 0 HD3 PRO A 105 2.890 -21.786 20.585 1.00 71.22 H new ATOM 1613 N PHE A 106 3.782 -17.219 17.770 1.00 54.40 N ATOM 1614 CA PHE A 106 4.598 -16.033 17.535 1.00 34.01 C ATOM 1615 C PHE A 106 3.769 -14.762 17.696 1.00 51.14 C ATOM 1616 O PHE A 106 2.548 -14.780 17.541 1.00 73.52 O ATOM 1617 CB PHE A 106 5.213 -16.081 16.135 1.00 1.31 C ATOM 1618 CG PHE A 106 4.199 -16.243 15.039 1.00 15.15 C ATOM 1619 CD1 PHE A 106 3.340 -15.206 14.713 1.00 10.40 C ATOM 1620 CD2 PHE A 106 4.103 -17.433 14.336 1.00 20.14 C ATOM 1621 CE1 PHE A 106 2.405 -15.351 13.705 1.00 24.41 C ATOM 1622 CE2 PHE A 106 3.171 -17.585 13.327 1.00 11.53 C ATOM 1623 CZ PHE A 106 2.320 -16.543 13.012 1.00 2.11 C ATOM 0 H PHE A 106 2.824 -17.146 17.429 1.00 54.40 H new ATOM 0 HA PHE A 106 5.398 -16.020 18.275 1.00 34.01 H new ATOM 0 HB2 PHE A 106 5.778 -15.165 15.964 1.00 1.31 H new ATOM 0 HB3 PHE A 106 5.923 -16.907 16.087 1.00 1.31 H new ATOM 0 HD1 PHE A 106 3.402 -14.273 15.253 1.00 10.40 H new ATOM 0 HD2 PHE A 106 4.764 -18.251 14.579 1.00 20.14 H new ATOM 0 HE1 PHE A 106 1.742 -14.534 13.460 1.00 24.41 H new ATOM 0 HE2 PHE A 106 3.108 -18.517 12.785 1.00 11.53 H new ATOM 0 HZ PHE A 106 1.590 -16.660 12.225 1.00 2.11 H new ATOM 1633 N ASP A 107 4.442 -13.660 18.007 1.00 12.24 N ATOM 1634 CA ASP A 107 3.769 -12.379 18.189 1.00 40.32 C ATOM 1635 C ASP A 107 3.633 -11.644 16.859 1.00 15.51 C ATOM 1636 O ASP A 107 4.619 -11.160 16.302 1.00 15.23 O ATOM 1637 CB ASP A 107 4.537 -11.512 19.188 1.00 32.34 C ATOM 1638 CG ASP A 107 4.098 -11.753 20.620 1.00 41.45 C ATOM 1639 OD1 ASP A 107 4.525 -12.768 21.208 1.00 41.40 O ATOM 1640 OD2 ASP A 107 3.327 -10.926 21.151 1.00 50.02 O ATOM 0 H ASP A 107 5.453 -13.628 18.138 1.00 12.24 H new ATOM 0 HA ASP A 107 2.771 -12.573 18.581 1.00 40.32 H new ATOM 0 HB2 ASP A 107 5.604 -11.717 19.098 1.00 32.34 H new ATOM 0 HB3 ASP A 107 4.393 -10.461 18.939 1.00 32.34 H new ATOM 1645 N ILE A 108 2.405 -11.565 16.356 1.00 44.32 N ATOM 1646 CA ILE A 108 2.141 -10.889 15.092 1.00 53.22 C ATOM 1647 C ILE A 108 2.844 -9.537 15.034 1.00 54.23 C ATOM 1648 O ILE A 108 3.276 -9.096 13.969 1.00 43.12 O ATOM 1649 CB ILE A 108 0.631 -10.680 14.871 1.00 51.34 C ATOM 1650 CG1 ILE A 108 -0.060 -12.021 14.616 1.00 21.01 C ATOM 1651 CG2 ILE A 108 0.393 -9.726 13.709 1.00 32.32 C ATOM 1652 CD1 ILE A 108 -1.523 -12.029 14.998 1.00 35.03 C ATOM 0 H ILE A 108 1.578 -11.960 16.804 1.00 44.32 H new ATOM 0 HA ILE A 108 2.530 -11.532 14.303 1.00 53.22 H new ATOM 0 HB ILE A 108 0.205 -10.239 15.772 1.00 51.34 H new ATOM 0 HG12 ILE A 108 0.033 -12.273 13.560 1.00 21.01 H new ATOM 0 HG13 ILE A 108 0.458 -12.800 15.176 1.00 21.01 H new ATOM 0 HG21 ILE A 108 -0.679 -9.588 13.565 1.00 32.32 H new ATOM 0 HG22 ILE A 108 0.856 -8.764 13.927 1.00 32.32 H new ATOM 0 HG23 ILE A 108 0.831 -10.142 12.801 1.00 32.32 H new ATOM 0 HD11 ILE A 108 -1.948 -13.011 14.790 1.00 35.03 H new ATOM 0 HD12 ILE A 108 -1.623 -11.808 16.061 1.00 35.03 H new ATOM 0 HD13 ILE A 108 -2.054 -11.274 14.419 1.00 35.03 H new ATOM 1664 N ASP A 109 2.955 -8.884 16.185 1.00 21.35 N ATOM 1665 CA ASP A 109 3.609 -7.583 16.267 1.00 75.10 C ATOM 1666 C ASP A 109 5.064 -7.677 15.820 1.00 21.12 C ATOM 1667 O ASP A 109 5.546 -6.835 15.064 1.00 3.40 O ATOM 1668 CB ASP A 109 3.534 -7.040 17.695 1.00 44.12 C ATOM 1669 CG ASP A 109 2.637 -5.823 17.805 1.00 4.32 C ATOM 1670 OD1 ASP A 109 2.610 -5.017 16.851 1.00 0.12 O ATOM 1671 OD2 ASP A 109 1.962 -5.676 18.845 1.00 22.22 O ATOM 0 H ASP A 109 2.600 -9.234 17.075 1.00 21.35 H new ATOM 0 HA ASP A 109 3.087 -6.898 15.599 1.00 75.10 H new ATOM 0 HB2 ASP A 109 3.164 -7.821 18.359 1.00 44.12 H new ATOM 0 HB3 ASP A 109 4.537 -6.781 18.035 1.00 44.12 H new ATOM 1676 N GLU A 110 5.758 -8.707 16.294 1.00 2.04 N ATOM 1677 CA GLU A 110 7.159 -8.909 15.945 1.00 44.13 C ATOM 1678 C GLU A 110 7.287 -9.635 14.609 1.00 65.31 C ATOM 1679 O GLU A 110 8.272 -9.466 13.890 1.00 11.11 O ATOM 1680 CB GLU A 110 7.872 -9.704 17.041 1.00 61.14 C ATOM 1681 CG GLU A 110 9.363 -9.872 16.799 1.00 12.22 C ATOM 1682 CD GLU A 110 10.110 -10.307 18.045 1.00 42.12 C ATOM 1683 OE1 GLU A 110 10.325 -9.458 18.935 1.00 32.44 O ATOM 1684 OE2 GLU A 110 10.480 -11.497 18.128 1.00 3.25 O ATOM 0 H GLU A 110 5.373 -9.414 16.920 1.00 2.04 H new ATOM 0 HA GLU A 110 7.629 -7.930 15.853 1.00 44.13 H new ATOM 0 HB2 GLU A 110 7.722 -9.203 17.997 1.00 61.14 H new ATOM 0 HB3 GLU A 110 7.412 -10.689 17.121 1.00 61.14 H new ATOM 0 HG2 GLU A 110 9.519 -10.608 16.011 1.00 12.22 H new ATOM 0 HG3 GLU A 110 9.778 -8.930 16.441 1.00 12.22 H new ATOM 1691 N ALA A 111 6.285 -10.445 14.284 1.00 22.41 N ATOM 1692 CA ALA A 111 6.284 -11.197 13.035 1.00 2.30 C ATOM 1693 C ALA A 111 6.086 -10.272 11.839 1.00 73.45 C ATOM 1694 O ALA A 111 6.828 -10.341 10.858 1.00 14.25 O ATOM 1695 CB ALA A 111 5.203 -12.266 13.063 1.00 34.34 C ATOM 0 H ALA A 111 5.463 -10.597 14.869 1.00 22.41 H new ATOM 0 HA ALA A 111 7.255 -11.682 12.930 1.00 2.30 H new ATOM 0 HB1 ALA A 111 5.214 -12.819 12.124 1.00 34.34 H new ATOM 0 HB2 ALA A 111 5.390 -12.951 13.890 1.00 34.34 H new ATOM 0 HB3 ALA A 111 4.229 -11.795 13.195 1.00 34.34 H new ATOM 1701 N VAL A 112 5.079 -9.408 11.925 1.00 61.44 N ATOM 1702 CA VAL A 112 4.783 -8.470 10.849 1.00 41.21 C ATOM 1703 C VAL A 112 6.006 -7.627 10.503 1.00 15.23 C ATOM 1704 O VAL A 112 6.155 -7.167 9.372 1.00 40.32 O ATOM 1705 CB VAL A 112 3.618 -7.535 11.224 1.00 0.04 C ATOM 1706 CG1 VAL A 112 3.524 -6.377 10.242 1.00 21.41 C ATOM 1707 CG2 VAL A 112 2.310 -8.309 11.275 1.00 34.24 C ATOM 0 H VAL A 112 4.455 -9.339 12.729 1.00 61.44 H new ATOM 0 HA VAL A 112 4.497 -9.064 9.981 1.00 41.21 H new ATOM 0 HB VAL A 112 3.810 -7.124 12.215 1.00 0.04 H new ATOM 0 HG11 VAL A 112 2.695 -5.728 10.524 1.00 21.41 H new ATOM 0 HG12 VAL A 112 4.453 -5.808 10.261 1.00 21.41 H new ATOM 0 HG13 VAL A 112 3.356 -6.765 9.237 1.00 21.41 H new ATOM 0 HG21 VAL A 112 1.497 -7.633 11.541 1.00 34.24 H new ATOM 0 HG22 VAL A 112 2.110 -8.750 10.298 1.00 34.24 H new ATOM 0 HG23 VAL A 112 2.384 -9.100 12.022 1.00 34.24 H new ATOM 1717 N ALA A 113 6.878 -7.429 11.486 1.00 10.20 N ATOM 1718 CA ALA A 113 8.089 -6.643 11.285 1.00 23.24 C ATOM 1719 C ALA A 113 9.211 -7.501 10.709 1.00 33.03 C ATOM 1720 O ALA A 113 10.178 -6.983 10.150 1.00 51.43 O ATOM 1721 CB ALA A 113 8.529 -6.007 12.596 1.00 52.02 C ATOM 0 H ALA A 113 6.768 -7.802 12.429 1.00 10.20 H new ATOM 0 HA ALA A 113 7.865 -5.854 10.567 1.00 23.24 H new ATOM 0 HB1 ALA A 113 9.434 -5.423 12.431 1.00 52.02 H new ATOM 0 HB2 ALA A 113 7.739 -5.354 12.967 1.00 52.02 H new ATOM 0 HB3 ALA A 113 8.729 -6.788 13.330 1.00 52.02 H new ATOM 1727 N LEU A 114 9.076 -8.815 10.850 1.00 30.01 N ATOM 1728 CA LEU A 114 10.079 -9.746 10.344 1.00 50.41 C ATOM 1729 C LEU A 114 9.880 -10.003 8.854 1.00 72.32 C ATOM 1730 O LEU A 114 10.844 -10.187 8.110 1.00 13.04 O ATOM 1731 CB LEU A 114 10.014 -11.065 11.115 1.00 72.44 C ATOM 1732 CG LEU A 114 9.511 -12.277 10.329 1.00 63.20 C ATOM 1733 CD1 LEU A 114 10.594 -12.794 9.395 1.00 63.13 C ATOM 1734 CD2 LEU A 114 9.054 -13.376 11.278 1.00 41.42 C ATOM 0 H LEU A 114 8.282 -9.260 11.310 1.00 30.01 H new ATOM 0 HA LEU A 114 11.062 -9.297 10.488 1.00 50.41 H new ATOM 0 HB2 LEU A 114 11.011 -11.291 11.494 1.00 72.44 H new ATOM 0 HB3 LEU A 114 9.368 -10.925 11.981 1.00 72.44 H new ATOM 0 HG LEU A 114 8.658 -11.966 9.726 1.00 63.20 H new ATOM 0 HD11 LEU A 114 10.218 -13.656 8.844 1.00 63.13 H new ATOM 0 HD12 LEU A 114 10.874 -12.009 8.693 1.00 63.13 H new ATOM 0 HD13 LEU A 114 11.467 -13.088 9.978 1.00 63.13 H new ATOM 0 HD21 LEU A 114 8.699 -14.230 10.701 1.00 41.42 H new ATOM 0 HD22 LEU A 114 9.889 -13.684 11.907 1.00 41.42 H new ATOM 0 HD23 LEU A 114 8.246 -13.002 11.906 1.00 41.42 H new ATOM 1746 N VAL A 115 8.622 -10.014 8.423 1.00 2.51 N ATOM 1747 CA VAL A 115 8.296 -10.245 7.021 1.00 21.10 C ATOM 1748 C VAL A 115 8.752 -9.079 6.151 1.00 61.21 C ATOM 1749 O VAL A 115 9.184 -9.272 5.015 1.00 23.11 O ATOM 1750 CB VAL A 115 6.783 -10.457 6.824 1.00 23.42 C ATOM 1751 CG1 VAL A 115 5.999 -9.303 7.429 1.00 31.23 C ATOM 1752 CG2 VAL A 115 6.456 -10.619 5.347 1.00 21.04 C ATOM 0 H VAL A 115 7.812 -9.866 9.025 1.00 2.51 H new ATOM 0 HA VAL A 115 8.825 -11.149 6.718 1.00 21.10 H new ATOM 0 HB VAL A 115 6.491 -11.372 7.340 1.00 23.42 H new ATOM 0 HG11 VAL A 115 4.932 -9.470 7.280 1.00 31.23 H new ATOM 0 HG12 VAL A 115 6.211 -9.239 8.496 1.00 31.23 H new ATOM 0 HG13 VAL A 115 6.291 -8.371 6.945 1.00 31.23 H new ATOM 0 HG21 VAL A 115 5.383 -10.768 5.226 1.00 21.04 H new ATOM 0 HG22 VAL A 115 6.761 -9.723 4.806 1.00 21.04 H new ATOM 0 HG23 VAL A 115 6.989 -11.482 4.949 1.00 21.04 H new ATOM 1762 N GLU A 116 8.653 -7.869 6.693 1.00 73.33 N ATOM 1763 CA GLU A 116 9.055 -6.672 5.965 1.00 40.34 C ATOM 1764 C GLU A 116 10.567 -6.641 5.760 1.00 30.35 C ATOM 1765 O GLU A 116 11.072 -5.938 4.886 1.00 52.45 O ATOM 1766 CB GLU A 116 8.605 -5.416 6.715 1.00 23.41 C ATOM 1767 CG GLU A 116 9.451 -5.102 7.938 1.00 63.35 C ATOM 1768 CD GLU A 116 10.271 -3.838 7.770 1.00 0.44 C ATOM 1769 OE1 GLU A 116 9.684 -2.737 7.842 1.00 24.43 O ATOM 1770 OE2 GLU A 116 11.498 -3.948 7.568 1.00 42.33 O ATOM 0 H GLU A 116 8.298 -7.692 7.633 1.00 73.33 H new ATOM 0 HA GLU A 116 8.574 -6.695 4.987 1.00 40.34 H new ATOM 0 HB2 GLU A 116 8.636 -4.566 6.034 1.00 23.41 H new ATOM 0 HB3 GLU A 116 7.567 -5.540 7.024 1.00 23.41 H new ATOM 0 HG2 GLU A 116 8.802 -4.997 8.807 1.00 63.35 H new ATOM 0 HG3 GLU A 116 10.119 -5.940 8.138 1.00 63.35 H new ATOM 1777 N ARG A 117 11.284 -7.409 6.575 1.00 74.22 N ATOM 1778 CA ARG A 117 12.738 -7.469 6.485 1.00 35.35 C ATOM 1779 C ARG A 117 13.174 -8.253 5.252 1.00 65.54 C ATOM 1780 O ARG A 117 14.191 -7.940 4.633 1.00 71.23 O ATOM 1781 CB ARG A 117 13.321 -8.113 7.745 1.00 51.32 C ATOM 1782 CG ARG A 117 14.446 -9.094 7.462 1.00 63.43 C ATOM 1783 CD ARG A 117 15.236 -9.415 8.721 1.00 2.51 C ATOM 1784 NE ARG A 117 16.664 -9.557 8.450 1.00 21.41 N ATOM 1785 CZ ARG A 117 17.512 -10.161 9.275 1.00 30.33 C ATOM 1786 NH1 ARG A 117 17.078 -10.676 10.417 1.00 34.03 N ATOM 1787 NH2 ARG A 117 18.797 -10.252 8.958 1.00 4.45 N ATOM 0 H ARG A 117 10.882 -7.998 7.304 1.00 74.22 H new ATOM 0 HA ARG A 117 13.115 -6.450 6.398 1.00 35.35 H new ATOM 0 HB2 ARG A 117 13.691 -7.329 8.405 1.00 51.32 H new ATOM 0 HB3 ARG A 117 12.525 -8.631 8.280 1.00 51.32 H new ATOM 0 HG2 ARG A 117 14.033 -10.013 7.046 1.00 63.43 H new ATOM 0 HG3 ARG A 117 15.114 -8.676 6.709 1.00 63.43 H new ATOM 0 HD2 ARG A 117 15.083 -8.625 9.456 1.00 2.51 H new ATOM 0 HD3 ARG A 117 14.857 -10.337 9.161 1.00 2.51 H new ATOM 0 HE ARG A 117 17.030 -9.171 7.580 1.00 21.41 H new ATOM 0 HH11 ARG A 117 16.091 -10.609 10.664 1.00 34.03 H new ATOM 0 HH12 ARG A 117 17.731 -11.139 11.049 1.00 34.03 H new ATOM 0 HH21 ARG A 117 19.135 -9.858 8.080 1.00 4.45 H new ATOM 0 HH22 ARG A 117 19.447 -10.716 9.592 1.00 4.45 H new ATOM 1801 N ALA A 118 12.399 -9.274 4.901 1.00 64.44 N ATOM 1802 CA ALA A 118 12.705 -10.102 3.740 1.00 23.25 C ATOM 1803 C ALA A 118 12.320 -9.396 2.445 1.00 4.31 C ATOM 1804 O ALA A 118 12.913 -9.641 1.394 1.00 41.41 O ATOM 1805 CB ALA A 118 11.992 -11.442 3.845 1.00 20.03 C ATOM 0 H ALA A 118 11.555 -9.548 5.404 1.00 64.44 H new ATOM 0 HA ALA A 118 13.781 -10.276 3.722 1.00 23.25 H new ATOM 0 HB1 ALA A 118 12.229 -12.050 2.972 1.00 20.03 H new ATOM 0 HB2 ALA A 118 12.320 -11.959 4.747 1.00 20.03 H new ATOM 0 HB3 ALA A 118 10.915 -11.279 3.892 1.00 20.03 H new ATOM 1811 N ILE A 119 11.325 -8.520 2.528 1.00 52.33 N ATOM 1812 CA ILE A 119 10.862 -7.778 1.361 1.00 12.05 C ATOM 1813 C ILE A 119 11.715 -6.537 1.125 1.00 3.51 C ATOM 1814 O ILE A 119 12.232 -6.326 0.028 1.00 3.21 O ATOM 1815 CB ILE A 119 9.389 -7.354 1.512 1.00 1.45 C ATOM 1816 CG1 ILE A 119 8.480 -8.584 1.532 1.00 24.41 C ATOM 1817 CG2 ILE A 119 8.991 -6.412 0.385 1.00 31.44 C ATOM 1818 CD1 ILE A 119 7.163 -8.352 2.238 1.00 51.41 C ATOM 0 H ILE A 119 10.824 -8.306 3.390 1.00 52.33 H new ATOM 0 HA ILE A 119 10.953 -8.447 0.505 1.00 12.05 H new ATOM 0 HB ILE A 119 9.274 -6.826 2.459 1.00 1.45 H new ATOM 0 HG12 ILE A 119 8.283 -8.896 0.507 1.00 24.41 H new ATOM 0 HG13 ILE A 119 9.005 -9.405 2.020 1.00 24.41 H new ATOM 0 HG21 ILE A 119 7.947 -6.121 0.505 1.00 31.44 H new ATOM 0 HG22 ILE A 119 9.621 -5.523 0.414 1.00 31.44 H new ATOM 0 HG23 ILE A 119 9.119 -6.916 -0.573 1.00 31.44 H new ATOM 0 HD11 ILE A 119 6.571 -9.267 2.213 1.00 51.41 H new ATOM 0 HD12 ILE A 119 7.350 -8.069 3.274 1.00 51.41 H new ATOM 0 HD13 ILE A 119 6.617 -7.553 1.737 1.00 51.41 H new ATOM 1830 N SER A 120 11.860 -5.718 2.163 1.00 72.25 N ATOM 1831 CA SER A 120 12.649 -4.496 2.068 1.00 44.13 C ATOM 1832 C SER A 120 14.081 -4.806 1.641 1.00 1.34 C ATOM 1833 O SER A 120 14.768 -3.959 1.069 1.00 53.05 O ATOM 1834 CB SER A 120 12.653 -3.760 3.409 1.00 35.31 C ATOM 1835 OG SER A 120 11.364 -3.260 3.719 1.00 15.14 O ATOM 0 H SER A 120 11.441 -5.879 3.079 1.00 72.25 H new ATOM 0 HA SER A 120 12.193 -3.856 1.312 1.00 44.13 H new ATOM 0 HB2 SER A 120 12.984 -4.436 4.198 1.00 35.31 H new ATOM 0 HB3 SER A 120 13.367 -2.937 3.374 1.00 35.31 H new ATOM 0 HG SER A 120 10.845 -3.955 4.176 1.00 15.14 H new ATOM 1841 N HIS A 121 14.525 -6.026 1.925 1.00 5.02 N ATOM 1842 CA HIS A 121 15.876 -6.450 1.571 1.00 14.51 C ATOM 1843 C HIS A 121 16.149 -6.211 0.089 1.00 34.40 C ATOM 1844 O HIS A 121 17.291 -5.992 -0.315 1.00 20.55 O ATOM 1845 CB HIS A 121 16.074 -7.928 1.907 1.00 13.11 C ATOM 1846 CG HIS A 121 17.508 -8.359 1.888 1.00 33.53 C ATOM 1847 ND1 HIS A 121 18.127 -8.864 0.764 1.00 22.05 N ATOM 1848 CD2 HIS A 121 18.446 -8.358 2.864 1.00 35.14 C ATOM 1849 CE1 HIS A 121 19.383 -9.156 1.050 1.00 4.14 C ATOM 1850 NE2 HIS A 121 19.602 -8.858 2.318 1.00 2.24 N ATOM 0 H HIS A 121 13.970 -6.738 2.399 1.00 5.02 H new ATOM 0 HA HIS A 121 16.581 -5.856 2.153 1.00 14.51 H new ATOM 0 HB2 HIS A 121 15.656 -8.127 2.894 1.00 13.11 H new ATOM 0 HB3 HIS A 121 15.512 -8.533 1.195 1.00 13.11 H new ATOM 0 HD2 HIS A 121 18.310 -8.026 3.883 1.00 35.14 H new ATOM 0 HE1 HIS A 121 20.108 -9.568 0.364 1.00 4.14 H new ATOM 0 HE2 HIS A 121 20.486 -8.980 2.811 1.00 2.24 H new ATOM 1858 N TYR A 122 15.093 -6.257 -0.716 1.00 43.44 N ATOM 1859 CA TYR A 122 15.220 -6.049 -2.154 1.00 72.01 C ATOM 1860 C TYR A 122 14.768 -4.645 -2.544 1.00 1.23 C ATOM 1861 O TYR A 122 15.557 -3.845 -3.045 1.00 4.54 O ATOM 1862 CB TYR A 122 14.398 -7.091 -2.915 1.00 51.32 C ATOM 1863 CG TYR A 122 14.549 -8.495 -2.374 1.00 44.54 C ATOM 1864 CD1 TYR A 122 15.769 -9.157 -2.438 1.00 70.00 C ATOM 1865 CD2 TYR A 122 13.473 -9.158 -1.799 1.00 32.13 C ATOM 1866 CE1 TYR A 122 15.912 -10.440 -1.946 1.00 15.11 C ATOM 1867 CE2 TYR A 122 13.606 -10.440 -1.303 1.00 25.54 C ATOM 1868 CZ TYR A 122 14.828 -11.077 -1.379 1.00 34.20 C ATOM 1869 OH TYR A 122 14.966 -12.355 -0.886 1.00 51.43 O ATOM 0 H TYR A 122 14.141 -6.436 -0.398 1.00 43.44 H new ATOM 0 HA TYR A 122 16.271 -6.159 -2.420 1.00 72.01 H new ATOM 0 HB2 TYR A 122 13.346 -6.808 -2.879 1.00 51.32 H new ATOM 0 HB3 TYR A 122 14.695 -7.081 -3.964 1.00 51.32 H new ATOM 0 HD1 TYR A 122 16.620 -8.660 -2.880 1.00 70.00 H new ATOM 0 HD2 TYR A 122 12.515 -8.662 -1.739 1.00 32.13 H new ATOM 0 HE1 TYR A 122 16.867 -10.941 -2.005 1.00 15.11 H new ATOM 0 HE2 TYR A 122 12.759 -10.941 -0.858 1.00 25.54 H new ATOM 0 HH TYR A 122 14.938 -12.996 -1.627 1.00 51.43 H new ATOM 1879 N GLN A 123 13.493 -4.354 -2.309 1.00 34.13 N ATOM 1880 CA GLN A 123 12.935 -3.047 -2.635 1.00 10.13 C ATOM 1881 C GLN A 123 13.586 -1.953 -1.795 1.00 53.31 C ATOM 1882 O GLN A 123 14.299 -1.098 -2.319 1.00 2.23 O ATOM 1883 CB GLN A 123 11.422 -3.045 -2.412 1.00 54.24 C ATOM 1884 CG GLN A 123 10.626 -3.472 -3.635 1.00 64.25 C ATOM 1885 CD GLN A 123 9.234 -3.959 -3.285 1.00 61.24 C ATOM 1886 OE1 GLN A 123 8.242 -3.498 -3.850 1.00 41.44 O ATOM 1887 NE2 GLN A 123 9.153 -4.897 -2.349 1.00 73.20 N ATOM 0 H GLN A 123 12.827 -5.006 -1.894 1.00 34.13 H new ATOM 0 HA GLN A 123 13.140 -2.844 -3.686 1.00 10.13 H new ATOM 0 HB2 GLN A 123 11.184 -3.712 -1.583 1.00 54.24 H new ATOM 0 HB3 GLN A 123 11.108 -2.044 -2.116 1.00 54.24 H new ATOM 0 HG2 GLN A 123 10.550 -2.632 -4.326 1.00 64.25 H new ATOM 0 HG3 GLN A 123 11.164 -4.265 -4.155 1.00 64.25 H new ATOM 0 HE21 GLN A 123 10.001 -5.251 -1.907 1.00 73.20 H new ATOM 0 HE22 GLN A 123 8.242 -5.264 -2.072 1.00 73.20 H new ATOM 1896 N GLU A 124 13.334 -1.986 -0.490 1.00 71.22 N ATOM 1897 CA GLU A 124 13.895 -0.996 0.421 1.00 1.31 C ATOM 1898 C GLU A 124 13.397 0.405 0.076 1.00 62.11 C ATOM 1899 O GLU A 124 13.935 1.401 0.557 1.00 0.43 O ATOM 1900 CB GLU A 124 15.424 -1.032 0.371 1.00 71.12 C ATOM 1901 CG GLU A 124 16.085 -0.647 1.683 1.00 4.23 C ATOM 1902 CD GLU A 124 17.135 0.435 1.512 1.00 33.54 C ATOM 1903 OE1 GLU A 124 16.796 1.509 0.974 1.00 52.23 O ATOM 1904 OE2 GLU A 124 18.294 0.206 1.917 1.00 52.53 O ATOM 0 H GLU A 124 12.745 -2.687 -0.041 1.00 71.22 H new ATOM 0 HA GLU A 124 13.566 -1.242 1.431 1.00 1.31 H new ATOM 0 HB2 GLU A 124 15.746 -2.035 0.092 1.00 71.12 H new ATOM 0 HB3 GLU A 124 15.769 -0.357 -0.412 1.00 71.12 H new ATOM 0 HG2 GLU A 124 15.323 -0.302 2.382 1.00 4.23 H new ATOM 0 HG3 GLU A 124 16.547 -1.530 2.126 1.00 4.23 H new TER 1911 GLU A 124