USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 671 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 4 THR OG1 : rot 18:sc= 0.601 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.825 K(o=0.77,f=-1.4) USER MOD Set 1.3: A 40 GLN : amide:sc= -0.657 K(o=0.77,f=-0.0071) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0 (180deg=-0.228) USER MOD Single : A 7 GLN : amide:sc= 0.832 K(o=0.83,f=-3.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.739 K(o=0.74,f=-8.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 75:sc= 1.23 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.023 F(o=-0.79,f=-0.023) USER MOD Single : A 45 SER OG : rot 27:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0.764 (180deg=0.572) USER MOD Single : A 49 MET CE :methyl 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 54 GLN : amide:sc= 0.00982 X(o=0.0098,f=-0.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.984 X(o=-0.98,f=-0.67) USER MOD Single : A 59 TYR OH : rot -120:sc= -0.0744 USER MOD Single : A 60 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.7!) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0.345 (180deg=0.261) USER MOD Single : A 71 GLN : amide:sc= 0.0883 K(o=0.088,f=-3.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.469 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc=-0.00573 (180deg=-0.142) USER MOD Single : A 79 GLN : amide:sc= 0.542 K(o=0.54,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -11:sc= -0.257 USER MOD Single : A 85 SER OG : rot 3:sc= 0.081 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.146 22.594 6.287 1.00 0.00 N ATOM 2 CA MET A 1 -24.646 23.192 7.551 1.00 0.00 C ATOM 3 C MET A 1 -23.511 22.424 8.279 1.00 0.00 C ATOM 4 O MET A 1 -23.475 22.318 9.505 1.00 0.00 O ATOM 5 CB MET A 1 -25.834 23.480 8.480 1.00 0.00 C ATOM 6 CG MET A 1 -26.682 24.650 7.973 1.00 0.00 C ATOM 7 SD MET A 1 -28.091 25.045 9.071 1.00 0.00 S ATOM 8 CE MET A 1 -28.748 26.464 8.222 1.00 0.00 C ATOM 0 H1 MET A 1 -24.972 23.251 5.500 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.650 21.698 6.107 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.167 22.414 6.368 1.00 0.00 H new ATOM 0 HA MET A 1 -24.151 24.119 7.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.456 22.589 8.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.466 23.705 9.481 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.050 25.532 7.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.060 24.413 6.978 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.620 26.838 8.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.988 27.244 8.176 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.039 26.180 7.211 1.00 0.00 H new ATOM 20 N GLY A 2 -22.531 21.986 7.472 1.00 0.00 N ATOM 21 CA GLY A 2 -21.363 21.204 7.930 1.00 0.00 C ATOM 22 C GLY A 2 -21.721 19.797 8.436 1.00 0.00 C ATOM 23 O GLY A 2 -21.706 19.526 9.634 1.00 0.00 O ATOM 0 H GLY A 2 -22.524 22.166 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.652 21.115 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.861 21.751 8.728 1.00 0.00 H new ATOM 27 N VAL A 3 -21.913 18.899 7.475 1.00 0.00 N ATOM 28 CA VAL A 3 -22.223 17.478 7.731 1.00 0.00 C ATOM 29 C VAL A 3 -21.522 16.580 6.695 1.00 0.00 C ATOM 30 O VAL A 3 -21.409 16.941 5.524 1.00 0.00 O ATOM 31 CB VAL A 3 -23.752 17.263 7.821 1.00 0.00 C ATOM 32 CG1 VAL A 3 -24.505 17.523 6.508 1.00 0.00 C ATOM 33 CG2 VAL A 3 -24.092 15.887 8.403 1.00 0.00 C ATOM 0 H VAL A 3 -21.859 19.130 6.483 1.00 0.00 H new ATOM 0 HA VAL A 3 -21.825 17.182 8.702 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.110 18.027 8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -25.570 17.349 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -24.346 18.555 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -24.133 16.849 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.175 15.770 8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -23.671 15.109 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.672 15.802 9.405 1.00 0.00 H new ATOM 43 N THR A 4 -20.837 15.579 7.235 1.00 0.00 N ATOM 44 CA THR A 4 -20.125 14.545 6.444 1.00 0.00 C ATOM 45 C THR A 4 -20.516 13.091 6.788 1.00 0.00 C ATOM 46 O THR A 4 -20.327 12.178 5.986 1.00 0.00 O ATOM 47 CB THR A 4 -18.600 14.790 6.450 1.00 0.00 C ATOM 48 OG1 THR A 4 -17.919 13.767 5.719 1.00 0.00 O ATOM 49 CG2 THR A 4 -17.996 14.943 7.852 1.00 0.00 C ATOM 0 H THR A 4 -20.751 15.448 8.243 1.00 0.00 H new ATOM 0 HA THR A 4 -20.469 14.661 5.416 1.00 0.00 H new ATOM 0 HB THR A 4 -18.454 15.750 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.555 13.303 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.922 15.112 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.459 15.791 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.177 14.035 8.427 1.00 0.00 H new ATOM 57 N GLU A 5 -20.890 12.872 8.044 1.00 0.00 N ATOM 58 CA GLU A 5 -21.533 11.622 8.503 1.00 0.00 C ATOM 59 C GLU A 5 -22.951 11.477 7.916 1.00 0.00 C ATOM 60 O GLU A 5 -23.584 12.477 7.582 1.00 0.00 O ATOM 61 CB GLU A 5 -21.559 11.563 10.036 1.00 0.00 C ATOM 62 CG GLU A 5 -20.166 11.348 10.651 1.00 0.00 C ATOM 63 CD GLU A 5 -19.425 12.625 11.077 1.00 0.00 C ATOM 64 OE1 GLU A 5 -19.652 13.681 10.439 1.00 0.00 O ATOM 65 OE2 GLU A 5 -18.573 12.492 11.978 1.00 0.00 O ATOM 0 H GLU A 5 -20.759 13.557 8.788 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.941 10.782 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.982 12.490 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -22.219 10.755 10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.269 10.701 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.548 10.814 9.929 1.00 0.00 H new ATOM 72 N ALA A 6 -23.457 10.242 7.945 1.00 0.00 N ATOM 73 CA ALA A 6 -24.672 9.774 7.233 1.00 0.00 C ATOM 74 C ALA A 6 -24.566 9.886 5.699 1.00 0.00 C ATOM 75 O ALA A 6 -23.816 10.699 5.164 1.00 0.00 O ATOM 76 CB ALA A 6 -25.950 10.455 7.745 1.00 0.00 C ATOM 0 H ALA A 6 -23.018 9.498 8.488 1.00 0.00 H new ATOM 0 HA ALA A 6 -24.743 8.711 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -26.810 10.078 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.078 10.239 8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -25.871 11.533 7.602 1.00 0.00 H new ATOM 82 N GLN A 7 -25.225 8.940 5.027 1.00 0.00 N ATOM 83 CA GLN A 7 -25.164 8.752 3.555 1.00 0.00 C ATOM 84 C GLN A 7 -26.226 7.752 3.040 1.00 0.00 C ATOM 85 O GLN A 7 -27.374 8.142 2.868 1.00 0.00 O ATOM 86 CB GLN A 7 -23.731 8.473 3.038 1.00 0.00 C ATOM 87 CG GLN A 7 -22.936 7.427 3.840 1.00 0.00 C ATOM 88 CD GLN A 7 -21.578 7.900 4.385 1.00 0.00 C ATOM 89 OE1 GLN A 7 -20.679 7.095 4.599 1.00 0.00 O ATOM 90 NE2 GLN A 7 -21.450 9.151 4.777 1.00 0.00 N ATOM 0 H GLN A 7 -25.832 8.263 5.490 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.435 9.710 3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.794 8.141 2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.173 9.409 3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.549 7.096 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -22.769 6.558 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -22.199 9.820 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -20.602 9.450 5.259 1.00 0.00 H new ATOM 99 N TYR A 8 -25.861 6.480 2.873 1.00 0.00 N ATOM 100 CA TYR A 8 -26.798 5.415 2.449 1.00 0.00 C ATOM 101 C TYR A 8 -26.950 4.299 3.504 1.00 0.00 C ATOM 102 O TYR A 8 -28.024 4.121 4.064 1.00 0.00 O ATOM 103 CB TYR A 8 -26.357 4.853 1.088 1.00 0.00 C ATOM 104 CG TYR A 8 -27.377 3.878 0.492 1.00 0.00 C ATOM 105 CD1 TYR A 8 -28.388 4.357 -0.332 1.00 0.00 C ATOM 106 CD2 TYR A 8 -27.317 2.522 0.792 1.00 0.00 C ATOM 107 CE1 TYR A 8 -29.330 3.484 -0.862 1.00 0.00 C ATOM 108 CE2 TYR A 8 -28.263 1.649 0.275 1.00 0.00 C ATOM 109 CZ TYR A 8 -29.265 2.129 -0.560 1.00 0.00 C ATOM 110 OH TYR A 8 -30.136 1.269 -1.145 1.00 0.00 O ATOM 0 H TYR A 8 -24.908 6.149 3.026 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.788 5.860 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.200 5.678 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.399 4.345 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.442 5.411 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.531 2.147 1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.111 3.858 -1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.221 0.598 0.521 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.958 0.358 -0.829 1.00 0.00 H new ATOM 120 N VAL A 9 -25.833 3.622 3.795 1.00 0.00 N ATOM 121 CA VAL A 9 -25.708 2.501 4.764 1.00 0.00 C ATOM 122 C VAL A 9 -26.471 1.246 4.282 1.00 0.00 C ATOM 123 O VAL A 9 -27.689 1.153 4.394 1.00 0.00 O ATOM 124 CB VAL A 9 -26.146 2.856 6.209 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.631 1.810 7.205 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.726 4.252 6.689 1.00 0.00 C ATOM 0 H VAL A 9 -24.944 3.843 3.346 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.640 2.289 4.804 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.235 2.858 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -25.950 2.079 8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.034 0.831 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.542 1.776 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.078 4.407 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.639 4.334 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.162 5.008 6.036 1.00 0.00 H new ATOM 136 N ALA A 10 -25.728 0.318 3.681 1.00 0.00 N ATOM 137 CA ALA A 10 -26.270 -0.997 3.267 1.00 0.00 C ATOM 138 C ALA A 10 -25.508 -2.173 3.927 1.00 0.00 C ATOM 139 O ALA A 10 -24.586 -2.731 3.325 1.00 0.00 O ATOM 140 CB ALA A 10 -26.248 -1.087 1.735 1.00 0.00 C ATOM 0 H ALA A 10 -24.739 0.444 3.464 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.300 -1.080 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.645 -2.052 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.860 -0.289 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.223 -0.984 1.379 1.00 0.00 H new ATOM 146 N PRO A 11 -25.801 -2.482 5.202 1.00 0.00 N ATOM 147 CA PRO A 11 -25.098 -3.547 5.946 1.00 0.00 C ATOM 148 C PRO A 11 -25.386 -4.940 5.367 1.00 0.00 C ATOM 149 O PRO A 11 -26.397 -5.149 4.701 1.00 0.00 O ATOM 150 CB PRO A 11 -25.579 -3.400 7.390 1.00 0.00 C ATOM 151 CG PRO A 11 -26.985 -2.820 7.241 1.00 0.00 C ATOM 152 CD PRO A 11 -26.865 -1.885 6.034 1.00 0.00 C ATOM 0 HA PRO A 11 -24.015 -3.447 5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -25.593 -4.359 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.930 -2.738 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.725 -3.602 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -27.293 -2.280 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.806 -1.821 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.606 -0.872 6.342 1.00 0.00 H new ATOM 160 N THR A 12 -24.367 -5.789 5.436 1.00 0.00 N ATOM 161 CA THR A 12 -24.479 -7.185 4.946 1.00 0.00 C ATOM 162 C THR A 12 -24.152 -8.192 6.065 1.00 0.00 C ATOM 163 O THR A 12 -25.030 -8.563 6.839 1.00 0.00 O ATOM 164 CB THR A 12 -23.608 -7.441 3.702 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.440 -6.246 2.932 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.224 -8.535 2.828 1.00 0.00 C ATOM 0 H THR A 12 -23.453 -5.551 5.822 1.00 0.00 H new ATOM 0 HA THR A 12 -25.516 -7.332 4.644 1.00 0.00 H new ATOM 0 HB THR A 12 -22.629 -7.770 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.882 -6.437 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.594 -8.701 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.300 -9.459 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.218 -8.226 2.505 1.00 0.00 H new ATOM 174 N ASN A 13 -22.869 -8.520 6.216 1.00 0.00 N ATOM 175 CA ASN A 13 -22.390 -9.510 7.203 1.00 0.00 C ATOM 176 C ASN A 13 -21.704 -8.829 8.405 1.00 0.00 C ATOM 177 O ASN A 13 -21.567 -7.604 8.441 1.00 0.00 O ATOM 178 CB ASN A 13 -21.447 -10.493 6.486 1.00 0.00 C ATOM 179 CG ASN A 13 -20.080 -9.921 6.073 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.827 -8.723 6.075 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.128 -10.795 5.848 1.00 0.00 N ATOM 0 H ASN A 13 -22.121 -8.108 5.657 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.239 -10.057 7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.280 -11.350 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.950 -10.865 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.175 -10.477 5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.341 -11.792 5.847 1.00 0.00 H new ATOM 188 N ALA A 14 -21.176 -9.660 9.306 1.00 0.00 N ATOM 189 CA ALA A 14 -20.379 -9.220 10.472 1.00 0.00 C ATOM 190 C ALA A 14 -19.275 -8.213 10.104 1.00 0.00 C ATOM 191 O ALA A 14 -19.385 -7.060 10.509 1.00 0.00 O ATOM 192 CB ALA A 14 -19.781 -10.437 11.182 1.00 0.00 C ATOM 0 H ALA A 14 -21.287 -10.673 9.253 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.059 -8.697 11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.195 -10.106 12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.584 -11.091 11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.137 -10.981 10.491 1.00 0.00 H new ATOM 198 N VAL A 15 -18.472 -8.551 9.091 1.00 0.00 N ATOM 199 CA VAL A 15 -17.375 -7.696 8.571 1.00 0.00 C ATOM 200 C VAL A 15 -17.914 -6.301 8.182 1.00 0.00 C ATOM 201 O VAL A 15 -17.633 -5.321 8.869 1.00 0.00 O ATOM 202 CB VAL A 15 -16.657 -8.386 7.390 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.508 -7.540 6.830 1.00 0.00 C ATOM 204 CG2 VAL A 15 -16.092 -9.753 7.792 1.00 0.00 C ATOM 0 H VAL A 15 -18.558 -9.438 8.594 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.637 -7.554 9.360 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.418 -8.510 6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.036 -8.069 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.898 -6.586 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.772 -7.362 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.594 -10.207 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.375 -9.626 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.905 -10.399 8.124 1.00 0.00 H new ATOM 214 N GLU A 16 -18.879 -6.303 7.263 1.00 0.00 N ATOM 215 CA GLU A 16 -19.591 -5.098 6.786 1.00 0.00 C ATOM 216 C GLU A 16 -20.113 -4.207 7.929 1.00 0.00 C ATOM 217 O GLU A 16 -19.607 -3.103 8.124 1.00 0.00 O ATOM 218 CB GLU A 16 -20.748 -5.542 5.884 1.00 0.00 C ATOM 219 CG GLU A 16 -20.306 -5.867 4.451 1.00 0.00 C ATOM 220 CD GLU A 16 -20.449 -4.665 3.511 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.460 -3.942 3.654 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.509 -4.450 2.717 1.00 0.00 O ATOM 0 H GLU A 16 -19.202 -7.159 6.813 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.879 -4.486 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.223 -6.421 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.501 -4.754 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.267 -6.197 4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.901 -6.697 4.069 1.00 0.00 H new ATOM 229 N SER A 17 -20.960 -4.791 8.777 1.00 0.00 N ATOM 230 CA SER A 17 -21.640 -4.081 9.881 1.00 0.00 C ATOM 231 C SER A 17 -20.686 -3.621 11.000 1.00 0.00 C ATOM 232 O SER A 17 -20.508 -2.422 11.198 1.00 0.00 O ATOM 233 CB SER A 17 -22.764 -4.953 10.452 1.00 0.00 C ATOM 234 OG SER A 17 -23.513 -4.213 11.419 1.00 0.00 O ATOM 0 H SER A 17 -21.201 -5.781 8.723 1.00 0.00 H new ATOM 0 HA SER A 17 -22.060 -3.170 9.454 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.421 -5.286 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.344 -5.847 10.912 1.00 0.00 H new ATOM 0 HG SER A 17 -24.230 -4.776 11.778 1.00 0.00 H new ATOM 240 N LYS A 18 -19.915 -4.561 11.541 1.00 0.00 N ATOM 241 CA LYS A 18 -18.992 -4.343 12.674 1.00 0.00 C ATOM 242 C LYS A 18 -17.837 -3.379 12.342 1.00 0.00 C ATOM 243 O LYS A 18 -17.555 -2.470 13.122 1.00 0.00 O ATOM 244 CB LYS A 18 -18.505 -5.722 13.134 1.00 0.00 C ATOM 245 CG LYS A 18 -17.577 -5.736 14.354 1.00 0.00 C ATOM 246 CD LYS A 18 -17.363 -7.163 14.877 1.00 0.00 C ATOM 247 CE LYS A 18 -16.643 -8.090 13.889 1.00 0.00 C ATOM 248 NZ LYS A 18 -16.603 -9.466 14.404 1.00 0.00 N ATOM 0 H LYS A 18 -19.908 -5.523 11.202 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.519 -3.842 13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.377 -6.337 13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.986 -6.198 12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.616 -5.296 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.002 -5.117 15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.787 -7.117 15.801 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.332 -7.597 15.126 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.154 -8.071 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.628 -7.730 13.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.112 -10.078 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.095 -9.482 15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.573 -9.813 14.544 1.00 0.00 H new ATOM 262 N LEU A 19 -17.265 -3.509 11.143 1.00 0.00 N ATOM 263 CA LEU A 19 -16.258 -2.545 10.661 1.00 0.00 C ATOM 264 C LEU A 19 -16.852 -1.149 10.412 1.00 0.00 C ATOM 265 O LEU A 19 -16.339 -0.184 10.969 1.00 0.00 O ATOM 266 CB LEU A 19 -15.478 -3.052 9.440 1.00 0.00 C ATOM 267 CG LEU A 19 -14.294 -4.007 9.697 1.00 0.00 C ATOM 268 CD1 LEU A 19 -13.202 -3.346 10.541 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.711 -5.353 10.296 1.00 0.00 C ATOM 0 H LEU A 19 -17.475 -4.263 10.489 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.536 -2.447 11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.181 -3.558 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.099 -2.185 8.899 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.880 -4.225 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.387 -4.052 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.824 -2.465 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.616 -3.049 11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.827 -5.972 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.209 -5.187 11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.394 -5.859 9.614 1.00 0.00 H new ATOM 281 N ALA A 20 -18.036 -1.076 9.797 1.00 0.00 N ATOM 282 CA ALA A 20 -18.782 0.199 9.657 1.00 0.00 C ATOM 283 C ALA A 20 -19.127 0.841 11.017 1.00 0.00 C ATOM 284 O ALA A 20 -19.046 2.060 11.164 1.00 0.00 O ATOM 285 CB ALA A 20 -20.061 -0.006 8.841 1.00 0.00 C ATOM 0 H ALA A 20 -18.507 -1.881 9.384 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.120 0.886 9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.591 0.942 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.804 -0.373 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.700 -0.733 9.342 1.00 0.00 H new ATOM 291 N GLU A 21 -19.453 -0.001 11.998 1.00 0.00 N ATOM 292 CA GLU A 21 -19.635 0.375 13.415 1.00 0.00 C ATOM 293 C GLU A 21 -18.365 1.029 13.992 1.00 0.00 C ATOM 294 O GLU A 21 -18.404 2.202 14.368 1.00 0.00 O ATOM 295 CB GLU A 21 -20.045 -0.869 14.214 1.00 0.00 C ATOM 296 CG GLU A 21 -20.351 -0.582 15.687 1.00 0.00 C ATOM 297 CD GLU A 21 -20.475 -1.886 16.479 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.420 -2.347 16.969 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.612 -2.395 16.572 1.00 0.00 O ATOM 0 H GLU A 21 -19.604 -0.996 11.831 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.427 1.121 13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.925 -1.314 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.245 -1.607 14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.560 0.035 16.114 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.277 -0.013 15.767 1.00 0.00 H new ATOM 306 N ILE A 22 -17.241 0.309 13.961 1.00 0.00 N ATOM 307 CA ILE A 22 -15.959 0.856 14.461 1.00 0.00 C ATOM 308 C ILE A 22 -15.501 2.104 13.686 1.00 0.00 C ATOM 309 O ILE A 22 -15.120 3.088 14.315 1.00 0.00 O ATOM 310 CB ILE A 22 -14.842 -0.194 14.654 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.381 -0.917 13.384 1.00 0.00 C ATOM 312 CG2 ILE A 22 -15.242 -1.203 15.734 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.254 -0.172 12.661 1.00 0.00 C ATOM 0 H ILE A 22 -17.183 -0.644 13.601 1.00 0.00 H new ATOM 0 HA ILE A 22 -16.178 1.193 15.474 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.972 0.381 14.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.041 -1.920 13.644 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.228 -1.033 12.708 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.446 -1.937 15.859 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.406 -0.681 16.677 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.159 -1.711 15.436 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.965 -0.727 11.768 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.600 0.821 12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.394 -0.080 13.325 1.00 0.00 H new ATOM 325 N TRP A 23 -15.755 2.125 12.376 1.00 0.00 N ATOM 326 CA TRP A 23 -15.564 3.319 11.528 1.00 0.00 C ATOM 327 C TRP A 23 -16.378 4.518 12.032 1.00 0.00 C ATOM 328 O TRP A 23 -15.793 5.422 12.621 1.00 0.00 O ATOM 329 CB TRP A 23 -15.873 3.033 10.049 1.00 0.00 C ATOM 330 CG TRP A 23 -14.857 2.111 9.361 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.163 1.097 8.554 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.488 2.044 9.597 1.00 0.00 C ATOM 333 NE1 TRP A 23 -14.071 0.373 8.304 1.00 0.00 N ATOM 334 CE2 TRP A 23 -13.037 0.912 8.938 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.611 2.819 10.344 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.706 0.524 9.064 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.286 2.426 10.479 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.840 1.269 9.853 1.00 0.00 C ATOM 0 H TRP A 23 -16.101 1.313 11.864 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.508 3.580 11.601 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.863 2.582 9.977 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.913 3.979 9.508 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.148 0.892 8.161 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -14.036 -0.462 7.719 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.958 3.725 10.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.348 -0.355 8.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.603 3.019 11.070 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.817 0.948 9.980 1.00 0.00 H new ATOM 349 N GLU A 24 -17.701 4.370 12.073 1.00 0.00 N ATOM 350 CA GLU A 24 -18.623 5.442 12.510 1.00 0.00 C ATOM 351 C GLU A 24 -18.408 5.970 13.942 1.00 0.00 C ATOM 352 O GLU A 24 -18.920 7.039 14.275 1.00 0.00 O ATOM 353 CB GLU A 24 -20.077 5.033 12.248 1.00 0.00 C ATOM 354 CG GLU A 24 -20.680 3.934 13.132 1.00 0.00 C ATOM 355 CD GLU A 24 -21.927 3.285 12.514 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.580 3.941 11.667 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.190 2.121 12.880 1.00 0.00 O ATOM 0 H GLU A 24 -18.174 3.507 11.806 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.375 6.306 11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.699 5.923 12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.152 4.707 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.928 3.166 13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.940 4.357 14.102 1.00 0.00 H new ATOM 364 N ARG A 25 -17.856 5.103 14.793 1.00 0.00 N ATOM 365 CA ARG A 25 -17.309 5.455 16.118 1.00 0.00 C ATOM 366 C ARG A 25 -15.965 6.216 16.015 1.00 0.00 C ATOM 367 O ARG A 25 -15.931 7.432 16.193 1.00 0.00 O ATOM 368 CB ARG A 25 -17.192 4.171 16.950 1.00 0.00 C ATOM 369 CG ARG A 25 -16.693 4.436 18.375 1.00 0.00 C ATOM 370 CD ARG A 25 -16.388 3.130 19.109 1.00 0.00 C ATOM 371 NE ARG A 25 -15.721 3.459 20.381 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.140 3.158 21.613 1.00 0.00 C ATOM 373 NH1 ARG A 25 -17.245 2.461 21.841 1.00 0.00 N ATOM 374 NH2 ARG A 25 -15.426 3.546 22.658 1.00 0.00 N ATOM 0 H ARG A 25 -17.772 4.109 14.580 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.988 6.146 16.617 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.165 3.681 16.995 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.510 3.481 16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.796 5.054 18.339 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.446 4.999 18.927 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.308 2.575 19.295 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.749 2.492 18.499 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.843 3.973 20.313 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.811 2.133 21.059 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.529 2.253 22.799 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.563 4.071 22.519 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.739 3.320 23.602 1.00 0.00 H new ATOM 388 N VAL A 26 -14.902 5.520 15.609 1.00 0.00 N ATOM 389 CA VAL A 26 -13.504 6.020 15.603 1.00 0.00 C ATOM 390 C VAL A 26 -13.320 7.290 14.742 1.00 0.00 C ATOM 391 O VAL A 26 -12.670 8.238 15.173 1.00 0.00 O ATOM 392 CB VAL A 26 -12.546 4.873 15.196 1.00 0.00 C ATOM 393 CG1 VAL A 26 -11.080 5.307 15.083 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.605 3.725 16.212 1.00 0.00 C ATOM 0 H VAL A 26 -14.980 4.564 15.263 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.251 6.337 16.615 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.892 4.555 14.212 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.469 4.452 14.795 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.989 6.089 14.329 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.739 5.689 16.045 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.924 2.932 15.904 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.312 4.094 17.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.621 3.333 16.259 1.00 0.00 H new ATOM 404 N LEU A 27 -13.987 7.321 13.592 1.00 0.00 N ATOM 405 CA LEU A 27 -14.027 8.462 12.654 1.00 0.00 C ATOM 406 C LEU A 27 -14.624 9.764 13.237 1.00 0.00 C ATOM 407 O LEU A 27 -14.225 10.853 12.834 1.00 0.00 O ATOM 408 CB LEU A 27 -14.748 7.938 11.401 1.00 0.00 C ATOM 409 CG LEU A 27 -15.320 8.919 10.378 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.374 8.217 9.022 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.750 9.317 10.758 1.00 0.00 C ATOM 0 H LEU A 27 -14.538 6.527 13.266 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.017 8.793 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.048 7.291 10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.571 7.309 11.741 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.691 9.809 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.780 8.899 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.369 7.914 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.012 7.336 9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.142 10.016 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.380 8.428 10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.747 9.791 11.740 1.00 0.00 H new ATOM 423 N GLY A 28 -15.492 9.608 14.248 1.00 0.00 N ATOM 424 CA GLY A 28 -16.226 10.726 14.877 1.00 0.00 C ATOM 425 C GLY A 28 -17.684 10.346 15.165 1.00 0.00 C ATOM 426 O GLY A 28 -18.602 10.751 14.453 1.00 0.00 O ATOM 0 H GLY A 28 -15.708 8.699 14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.732 11.011 15.806 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.198 11.596 14.221 1.00 0.00 H new ATOM 430 N VAL A 29 -17.819 9.505 16.190 1.00 0.00 N ATOM 431 CA VAL A 29 -19.062 8.905 16.731 1.00 0.00 C ATOM 432 C VAL A 29 -20.382 9.628 16.394 1.00 0.00 C ATOM 433 O VAL A 29 -20.847 10.522 17.096 1.00 0.00 O ATOM 434 CB VAL A 29 -18.849 8.557 18.222 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.626 9.773 19.132 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.946 7.631 18.757 1.00 0.00 C ATOM 0 H VAL A 29 -17.001 9.193 16.714 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.234 7.977 16.186 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.908 8.008 18.252 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.485 9.438 20.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.740 10.316 18.803 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.494 10.430 19.080 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.757 7.412 19.808 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.915 8.119 18.657 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.947 6.702 18.188 1.00 0.00 H new ATOM 446 N SER A 30 -20.923 9.217 15.249 1.00 0.00 N ATOM 447 CA SER A 30 -22.166 9.789 14.679 1.00 0.00 C ATOM 448 C SER A 30 -22.972 8.773 13.856 1.00 0.00 C ATOM 449 O SER A 30 -24.163 8.591 14.088 1.00 0.00 O ATOM 450 CB SER A 30 -21.900 10.983 13.750 1.00 0.00 C ATOM 451 OG SER A 30 -21.055 11.990 14.311 1.00 0.00 O ATOM 0 H SER A 30 -20.518 8.474 14.679 1.00 0.00 H new ATOM 0 HA SER A 30 -22.731 10.102 15.557 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.447 10.617 12.829 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.853 11.436 13.478 1.00 0.00 H new ATOM 0 HG SER A 30 -20.128 11.674 14.316 1.00 0.00 H new ATOM 457 N GLY A 31 -22.287 8.118 12.902 1.00 0.00 N ATOM 458 CA GLY A 31 -22.923 7.160 11.976 1.00 0.00 C ATOM 459 C GLY A 31 -22.570 7.440 10.509 1.00 0.00 C ATOM 460 O GLY A 31 -22.703 8.561 10.023 1.00 0.00 O ATOM 0 H GLY A 31 -21.285 8.235 12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.612 6.148 12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.005 7.202 12.101 1.00 0.00 H new ATOM 464 N ILE A 32 -22.027 6.416 9.856 1.00 0.00 N ATOM 465 CA ILE A 32 -21.664 6.464 8.419 1.00 0.00 C ATOM 466 C ILE A 32 -22.143 5.200 7.691 1.00 0.00 C ATOM 467 O ILE A 32 -22.559 4.226 8.317 1.00 0.00 O ATOM 468 CB ILE A 32 -20.164 6.694 8.129 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.252 5.629 8.754 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.756 8.131 8.477 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.938 5.457 7.986 1.00 0.00 C ATOM 0 H ILE A 32 -21.821 5.521 10.299 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.180 7.345 8.036 1.00 0.00 H new ATOM 0 HB ILE A 32 -20.019 6.571 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.033 5.904 9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.779 4.676 8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.696 8.270 8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.340 8.830 7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.941 8.316 9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.331 4.692 8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.153 5.155 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.394 6.402 7.979 1.00 0.00 H new ATOM 483 N GLY A 33 -21.902 5.191 6.376 1.00 0.00 N ATOM 484 CA GLY A 33 -22.320 4.079 5.509 1.00 0.00 C ATOM 485 C GLY A 33 -21.142 3.245 5.008 1.00 0.00 C ATOM 486 O GLY A 33 -20.009 3.706 4.920 1.00 0.00 O ATOM 0 H GLY A 33 -21.418 5.943 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.008 3.435 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.868 4.476 4.654 1.00 0.00 H new ATOM 490 N ILE A 34 -21.473 1.980 4.781 1.00 0.00 N ATOM 491 CA ILE A 34 -20.716 0.971 4.001 1.00 0.00 C ATOM 492 C ILE A 34 -19.832 1.562 2.875 1.00 0.00 C ATOM 493 O ILE A 34 -18.758 1.047 2.572 1.00 0.00 O ATOM 494 CB ILE A 34 -21.776 -0.019 3.460 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.616 -0.656 4.584 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.259 -1.055 2.450 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.892 -1.415 5.704 1.00 0.00 C ATOM 0 H ILE A 34 -22.337 1.590 5.158 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.987 0.478 4.644 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.443 0.609 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.203 0.137 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.321 -1.345 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.081 -1.698 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.846 -0.542 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.482 -1.661 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.624 -1.801 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.329 -2.244 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.209 -0.739 6.219 1.00 0.00 H new ATOM 509 N LEU A 35 -20.409 2.539 2.177 1.00 0.00 N ATOM 510 CA LEU A 35 -19.774 3.331 1.104 1.00 0.00 C ATOM 511 C LEU A 35 -18.560 4.170 1.553 1.00 0.00 C ATOM 512 O LEU A 35 -17.581 4.262 0.818 1.00 0.00 O ATOM 513 CB LEU A 35 -20.812 4.262 0.458 1.00 0.00 C ATOM 514 CG LEU A 35 -21.903 3.556 -0.363 1.00 0.00 C ATOM 515 CD1 LEU A 35 -23.017 2.954 0.505 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.497 4.539 -1.373 1.00 0.00 C ATOM 0 H LEU A 35 -21.375 2.819 2.345 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.394 2.599 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.292 4.846 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -20.291 4.967 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 35 -21.428 2.722 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -23.755 2.470 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -22.590 2.218 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -23.498 3.745 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.271 4.039 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.932 5.386 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.712 4.893 -2.041 1.00 0.00 H new ATOM 528 N ASP A 36 -18.601 4.676 2.787 1.00 0.00 N ATOM 529 CA ASP A 36 -17.580 5.552 3.406 1.00 0.00 C ATOM 530 C ASP A 36 -17.388 6.884 2.655 1.00 0.00 C ATOM 531 O ASP A 36 -17.443 6.944 1.430 1.00 0.00 O ATOM 532 CB ASP A 36 -16.239 4.813 3.551 1.00 0.00 C ATOM 533 CG ASP A 36 -16.354 3.553 4.421 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.660 2.478 3.857 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.242 3.716 5.655 1.00 0.00 O ATOM 0 H ASP A 36 -19.378 4.483 3.418 1.00 0.00 H new ATOM 0 HA ASP A 36 -17.955 5.806 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.872 4.536 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.502 5.487 3.988 1.00 0.00 H new ATOM 540 N ASN A 37 -17.094 7.938 3.412 1.00 0.00 N ATOM 541 CA ASN A 37 -16.853 9.292 2.856 1.00 0.00 C ATOM 542 C ASN A 37 -15.503 9.448 2.104 1.00 0.00 C ATOM 543 O ASN A 37 -15.031 10.563 1.905 1.00 0.00 O ATOM 544 CB ASN A 37 -16.973 10.293 4.013 1.00 0.00 C ATOM 545 CG ASN A 37 -17.446 11.691 3.590 1.00 0.00 C ATOM 546 OD1 ASN A 37 -18.601 12.058 3.738 1.00 0.00 O ATOM 547 ND2 ASN A 37 -16.555 12.512 3.082 1.00 0.00 N ATOM 0 H ASN A 37 -17.013 7.891 4.428 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.602 9.483 2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.668 9.895 4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.003 10.383 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.828 13.457 2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.590 12.205 2.959 1.00 0.00 H new ATOM 554 N PHE A 38 -14.978 8.342 1.573 1.00 0.00 N ATOM 555 CA PHE A 38 -13.693 8.220 0.836 1.00 0.00 C ATOM 556 C PHE A 38 -12.613 9.313 1.048 1.00 0.00 C ATOM 557 O PHE A 38 -11.896 9.715 0.134 1.00 0.00 O ATOM 558 CB PHE A 38 -14.024 8.001 -0.651 1.00 0.00 C ATOM 559 CG PHE A 38 -14.825 9.145 -1.285 1.00 0.00 C ATOM 560 CD1 PHE A 38 -16.214 9.159 -1.201 1.00 0.00 C ATOM 561 CD2 PHE A 38 -14.159 10.181 -1.924 1.00 0.00 C ATOM 562 CE1 PHE A 38 -16.930 10.219 -1.742 1.00 0.00 C ATOM 563 CE2 PHE A 38 -14.874 11.240 -2.468 1.00 0.00 C ATOM 564 CZ PHE A 38 -16.261 11.260 -2.375 1.00 0.00 C ATOM 0 H PHE A 38 -15.459 7.445 1.644 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.184 7.364 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.094 7.871 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.589 7.074 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.735 8.347 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.082 10.164 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.008 10.234 -1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.353 12.047 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.819 12.084 -2.795 1.00 0.00 H new ATOM 574 N PHE A 39 -12.355 9.589 2.326 1.00 0.00 N ATOM 575 CA PHE A 39 -11.541 10.738 2.785 1.00 0.00 C ATOM 576 C PHE A 39 -11.186 10.592 4.282 1.00 0.00 C ATOM 577 O PHE A 39 -10.238 9.888 4.623 1.00 0.00 O ATOM 578 CB PHE A 39 -12.310 12.037 2.475 1.00 0.00 C ATOM 579 CG PHE A 39 -11.539 13.328 2.750 1.00 0.00 C ATOM 580 CD1 PHE A 39 -10.687 13.829 1.774 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.841 14.098 3.869 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.145 15.101 1.907 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.298 15.370 4.003 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.452 15.875 3.022 1.00 0.00 C ATOM 0 H PHE A 39 -12.707 9.016 3.093 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.590 10.770 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.605 12.025 1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.227 12.047 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.445 13.228 0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.497 13.707 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.485 15.489 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.534 15.968 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.034 16.866 3.125 1.00 0.00 H new ATOM 594 N GLN A 40 -12.117 10.998 5.144 1.00 0.00 N ATOM 595 CA GLN A 40 -11.953 11.010 6.616 1.00 0.00 C ATOM 596 C GLN A 40 -11.670 9.679 7.349 1.00 0.00 C ATOM 597 O GLN A 40 -11.070 9.707 8.420 1.00 0.00 O ATOM 598 CB GLN A 40 -13.115 11.754 7.291 1.00 0.00 C ATOM 599 CG GLN A 40 -14.512 11.233 6.920 1.00 0.00 C ATOM 600 CD GLN A 40 -15.581 11.649 7.937 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.351 11.816 9.123 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.791 11.868 7.491 1.00 0.00 N ATOM 0 H GLN A 40 -13.030 11.337 4.842 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.008 11.542 6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.992 11.687 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.054 12.810 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.787 11.609 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.484 10.146 6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -17.002 11.734 6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.523 12.173 8.132 1.00 0.00 H new ATOM 611 N ILE A 41 -11.876 8.546 6.676 1.00 0.00 N ATOM 612 CA ILE A 41 -11.773 7.197 7.289 1.00 0.00 C ATOM 613 C ILE A 41 -10.402 6.849 7.913 1.00 0.00 C ATOM 614 O ILE A 41 -10.346 6.097 8.884 1.00 0.00 O ATOM 615 CB ILE A 41 -12.271 6.046 6.385 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.476 5.777 5.090 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.786 6.147 6.166 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.463 6.858 4.004 1.00 0.00 C ATOM 0 H ILE A 41 -12.121 8.525 5.686 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.469 7.283 8.123 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.057 5.139 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.442 5.577 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.868 4.863 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.117 5.328 5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.297 6.087 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.022 7.098 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.863 6.519 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.483 7.051 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.034 7.775 4.408 1.00 0.00 H new ATOM 630 N GLY A 42 -9.322 7.375 7.314 1.00 0.00 N ATOM 631 CA GLY A 42 -7.974 7.325 7.928 1.00 0.00 C ATOM 632 C GLY A 42 -7.387 8.710 8.264 1.00 0.00 C ATOM 633 O GLY A 42 -6.261 8.803 8.757 1.00 0.00 O ATOM 0 H GLY A 42 -9.350 7.840 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.023 6.731 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.295 6.809 7.249 1.00 0.00 H new ATOM 637 N GLY A 43 -8.250 9.736 8.209 1.00 0.00 N ATOM 638 CA GLY A 43 -7.875 11.162 8.332 1.00 0.00 C ATOM 639 C GLY A 43 -6.567 11.547 7.623 1.00 0.00 C ATOM 640 O GLY A 43 -6.139 10.936 6.644 1.00 0.00 O ATOM 0 H GLY A 43 -9.252 9.599 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.684 11.772 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.785 11.410 9.390 1.00 0.00 H new ATOM 644 N HIS A 44 -5.988 12.626 8.137 1.00 0.00 N ATOM 645 CA HIS A 44 -4.641 13.102 7.758 1.00 0.00 C ATOM 646 C HIS A 44 -3.731 13.208 8.999 1.00 0.00 C ATOM 647 O HIS A 44 -3.155 14.251 9.313 1.00 0.00 O ATOM 648 CB HIS A 44 -4.745 14.416 6.955 1.00 0.00 C ATOM 649 CG HIS A 44 -5.333 15.630 7.694 1.00 0.00 C ATOM 650 ND1 HIS A 44 -6.446 15.676 8.424 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -4.855 16.869 7.619 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -6.652 16.930 8.803 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -5.665 17.671 8.306 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.439 13.211 8.840 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.168 12.374 7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.747 14.681 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.354 14.228 6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.963 17.172 7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.474 17.286 9.407 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.549 18.677 8.430 1.00 0.00 H new ATOM 662 N SER A 45 -3.689 12.097 9.736 1.00 0.00 N ATOM 663 CA SER A 45 -3.047 11.961 11.067 1.00 0.00 C ATOM 664 C SER A 45 -3.002 10.494 11.540 1.00 0.00 C ATOM 665 O SER A 45 -3.265 9.585 10.751 1.00 0.00 O ATOM 666 CB SER A 45 -3.778 12.840 12.098 1.00 0.00 C ATOM 667 OG SER A 45 -3.310 14.186 11.996 1.00 0.00 O ATOM 0 H SER A 45 -4.115 11.226 9.419 1.00 0.00 H new ATOM 0 HA SER A 45 -2.015 12.300 10.974 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.854 12.804 11.925 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.604 12.459 13.104 1.00 0.00 H new ATOM 0 HG SER A 45 -2.986 14.352 11.086 1.00 0.00 H new ATOM 673 N LEU A 46 -2.795 10.286 12.845 1.00 0.00 N ATOM 674 CA LEU A 46 -2.656 8.963 13.499 1.00 0.00 C ATOM 675 C LEU A 46 -3.752 7.912 13.233 1.00 0.00 C ATOM 676 O LEU A 46 -3.498 6.717 13.388 1.00 0.00 O ATOM 677 CB LEU A 46 -2.429 9.104 15.014 1.00 0.00 C ATOM 678 CG LEU A 46 -3.621 9.640 15.822 1.00 0.00 C ATOM 679 CD1 LEU A 46 -3.507 9.146 17.265 1.00 0.00 C ATOM 680 CD2 LEU A 46 -3.661 11.171 15.831 1.00 0.00 C ATOM 0 H LEU A 46 -2.715 11.058 13.507 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.775 8.558 13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.153 8.128 15.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.578 9.766 15.175 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.535 9.276 15.352 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.349 9.522 17.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.515 8.056 17.278 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.576 9.507 17.701 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.518 11.509 16.413 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.745 11.556 16.278 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.748 11.539 14.809 1.00 0.00 H new ATOM 692 N LYS A 47 -4.945 8.345 12.824 1.00 0.00 N ATOM 693 CA LYS A 47 -6.043 7.435 12.425 1.00 0.00 C ATOM 694 C LYS A 47 -5.617 6.404 11.365 1.00 0.00 C ATOM 695 O LYS A 47 -5.749 5.206 11.604 1.00 0.00 O ATOM 696 CB LYS A 47 -7.267 8.226 11.938 1.00 0.00 C ATOM 697 CG LYS A 47 -7.913 9.069 13.042 1.00 0.00 C ATOM 698 CD LYS A 47 -8.472 8.205 14.180 1.00 0.00 C ATOM 699 CE LYS A 47 -8.969 9.052 15.355 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.189 9.805 15.029 1.00 0.00 N ATOM 0 H LYS A 47 -5.187 9.334 12.757 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.313 6.876 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.968 8.879 11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.006 7.531 11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.176 9.764 13.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.717 9.669 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.292 7.594 13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.699 7.521 14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.163 8.404 16.210 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.185 9.748 15.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.343 10.544 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.085 10.246 14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.004 9.158 15.018 1.00 0.00 H new ATOM 714 N ALA A 48 -4.872 6.866 10.359 1.00 0.00 N ATOM 715 CA ALA A 48 -4.234 6.003 9.341 1.00 0.00 C ATOM 716 C ALA A 48 -3.317 4.917 9.937 1.00 0.00 C ATOM 717 O ALA A 48 -3.375 3.770 9.506 1.00 0.00 O ATOM 718 CB ALA A 48 -3.445 6.874 8.361 1.00 0.00 C ATOM 0 H ALA A 48 -4.688 7.859 10.219 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.037 5.474 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.974 6.241 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.121 7.575 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.678 7.427 8.902 1.00 0.00 H new ATOM 724 N MET A 49 -2.603 5.263 11.009 1.00 0.00 N ATOM 725 CA MET A 49 -1.737 4.341 11.781 1.00 0.00 C ATOM 726 C MET A 49 -2.555 3.302 12.573 1.00 0.00 C ATOM 727 O MET A 49 -2.278 2.105 12.507 1.00 0.00 O ATOM 728 CB MET A 49 -0.847 5.129 12.751 1.00 0.00 C ATOM 729 CG MET A 49 0.099 6.103 12.042 1.00 0.00 C ATOM 730 SD MET A 49 1.021 7.191 13.192 1.00 0.00 S ATOM 731 CE MET A 49 2.155 6.034 13.934 1.00 0.00 C ATOM 0 H MET A 49 -2.604 6.212 11.382 1.00 0.00 H new ATOM 0 HA MET A 49 -1.119 3.808 11.059 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.478 5.685 13.444 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.260 4.429 13.346 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.810 5.535 11.442 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.477 6.721 11.353 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.830 6.565 14.605 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.596 5.288 14.498 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.734 5.540 13.153 1.00 0.00 H new ATOM 741 N ALA A 50 -3.605 3.770 13.249 1.00 0.00 N ATOM 742 CA ALA A 50 -4.582 2.909 13.954 1.00 0.00 C ATOM 743 C ALA A 50 -5.299 1.928 13.004 1.00 0.00 C ATOM 744 O ALA A 50 -5.535 0.766 13.346 1.00 0.00 O ATOM 745 CB ALA A 50 -5.604 3.790 14.677 1.00 0.00 C ATOM 0 H ALA A 50 -3.812 4.766 13.329 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.032 2.303 14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.325 3.159 15.197 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.091 4.425 15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.125 4.414 13.951 1.00 0.00 H new ATOM 751 N VAL A 51 -5.618 2.411 11.804 1.00 0.00 N ATOM 752 CA VAL A 51 -6.127 1.560 10.708 1.00 0.00 C ATOM 753 C VAL A 51 -5.022 0.595 10.230 1.00 0.00 C ATOM 754 O VAL A 51 -5.224 -0.612 10.293 1.00 0.00 O ATOM 755 CB VAL A 51 -6.722 2.365 9.535 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.416 1.424 8.546 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.749 3.407 9.991 1.00 0.00 C ATOM 0 H VAL A 51 -5.535 3.397 11.556 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.956 0.979 11.112 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.885 2.883 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.832 2.004 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.693 0.708 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.218 0.889 9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.134 3.943 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.571 2.907 10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.273 4.113 10.672 1.00 0.00 H new ATOM 767 N ALA A 52 -3.820 1.103 9.958 1.00 0.00 N ATOM 768 CA ALA A 52 -2.645 0.285 9.573 1.00 0.00 C ATOM 769 C ALA A 52 -2.377 -0.898 10.521 1.00 0.00 C ATOM 770 O ALA A 52 -2.123 -2.007 10.059 1.00 0.00 O ATOM 771 CB ALA A 52 -1.393 1.162 9.512 1.00 0.00 C ATOM 0 H ALA A 52 -3.621 2.103 9.996 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.879 -0.133 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.535 0.552 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.537 1.951 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.213 1.608 10.490 1.00 0.00 H new ATOM 777 N ALA A 53 -2.553 -0.663 11.822 1.00 0.00 N ATOM 778 CA ALA A 53 -2.506 -1.710 12.863 1.00 0.00 C ATOM 779 C ALA A 53 -3.504 -2.853 12.590 1.00 0.00 C ATOM 780 O ALA A 53 -3.077 -3.974 12.315 1.00 0.00 O ATOM 781 CB ALA A 53 -2.736 -1.074 14.237 1.00 0.00 C ATOM 0 H ALA A 53 -2.735 0.269 12.195 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.516 -2.167 12.845 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.701 -1.846 15.006 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.959 -0.334 14.430 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.712 -0.588 14.254 1.00 0.00 H new ATOM 787 N GLN A 54 -4.799 -2.535 12.514 1.00 0.00 N ATOM 788 CA GLN A 54 -5.852 -3.523 12.177 1.00 0.00 C ATOM 789 C GLN A 54 -5.711 -4.112 10.758 1.00 0.00 C ATOM 790 O GLN A 54 -5.966 -5.295 10.544 1.00 0.00 O ATOM 791 CB GLN A 54 -7.258 -2.962 12.453 1.00 0.00 C ATOM 792 CG GLN A 54 -7.677 -1.798 11.549 1.00 0.00 C ATOM 793 CD GLN A 54 -8.890 -1.039 12.086 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.038 -1.334 11.788 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.634 -0.008 12.863 1.00 0.00 N ATOM 0 H GLN A 54 -5.155 -1.594 12.681 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.706 -4.370 12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.983 -3.768 12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.304 -2.632 13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.840 -1.108 11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.904 -2.180 10.554 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.670 0.224 13.102 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.400 0.559 13.227 1.00 0.00 H new ATOM 804 N VAL A 55 -5.195 -3.306 9.832 1.00 0.00 N ATOM 805 CA VAL A 55 -4.824 -3.723 8.461 1.00 0.00 C ATOM 806 C VAL A 55 -3.711 -4.793 8.443 1.00 0.00 C ATOM 807 O VAL A 55 -3.713 -5.678 7.593 1.00 0.00 O ATOM 808 CB VAL A 55 -4.495 -2.480 7.608 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.932 -2.811 6.223 1.00 0.00 C ATOM 810 CG2 VAL A 55 -5.765 -1.657 7.380 1.00 0.00 C ATOM 0 H VAL A 55 -5.015 -2.318 10.009 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.682 -4.218 8.007 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.736 -1.936 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.726 -1.887 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.009 -3.381 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.660 -3.401 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.527 -0.781 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.504 -2.266 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.169 -1.338 8.341 1.00 0.00 H new ATOM 820 N HIS A 56 -2.754 -4.666 9.355 1.00 0.00 N ATOM 821 CA HIS A 56 -1.658 -5.639 9.514 1.00 0.00 C ATOM 822 C HIS A 56 -2.067 -6.955 10.204 1.00 0.00 C ATOM 823 O HIS A 56 -1.566 -8.015 9.841 1.00 0.00 O ATOM 824 CB HIS A 56 -0.519 -4.934 10.262 1.00 0.00 C ATOM 825 CG HIS A 56 0.874 -5.536 10.043 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.932 -5.283 10.811 1.00 0.00 N ATOM 827 CD2 HIS A 56 1.318 -6.151 8.947 1.00 0.00 C ATOM 828 CE1 HIS A 56 3.021 -5.708 10.178 1.00 0.00 C ATOM 829 NE2 HIS A 56 2.641 -6.235 9.021 1.00 0.00 N ATOM 0 H HIS A 56 -2.708 -3.886 10.011 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.338 -5.958 8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.498 -3.888 9.957 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.741 -4.950 11.329 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.706 -6.518 8.137 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.036 -5.637 10.541 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.257 -6.634 8.313 1.00 0.00 H new ATOM 838 N ARG A 57 -3.007 -6.880 11.149 1.00 0.00 N ATOM 839 CA ARG A 57 -3.434 -8.053 11.953 1.00 0.00 C ATOM 840 C ARG A 57 -4.766 -8.741 11.594 1.00 0.00 C ATOM 841 O ARG A 57 -4.866 -9.963 11.668 1.00 0.00 O ATOM 842 CB ARG A 57 -3.393 -7.712 13.452 1.00 0.00 C ATOM 843 CG ARG A 57 -4.224 -6.478 13.818 1.00 0.00 C ATOM 844 CD ARG A 57 -3.974 -6.023 15.254 1.00 0.00 C ATOM 845 NE ARG A 57 -4.258 -4.579 15.326 1.00 0.00 N ATOM 846 CZ ARG A 57 -5.186 -3.969 16.065 1.00 0.00 C ATOM 847 NH1 ARG A 57 -5.932 -4.620 16.946 1.00 0.00 N ATOM 848 NH2 ARG A 57 -5.315 -2.652 16.006 1.00 0.00 N ATOM 0 H ARG A 57 -3.497 -6.017 11.386 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.698 -8.810 11.685 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.756 -8.567 14.022 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.358 -7.546 13.751 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.985 -5.664 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.283 -6.703 13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.613 -6.573 15.945 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.943 -6.224 15.544 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.678 -3.976 14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.807 -5.624 17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.632 -4.117 17.492 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.706 -2.107 15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.024 -2.183 16.570 1.00 0.00 H new ATOM 862 N GLU A 58 -5.773 -7.957 11.213 1.00 0.00 N ATOM 863 CA GLU A 58 -7.125 -8.457 10.884 1.00 0.00 C ATOM 864 C GLU A 58 -7.425 -8.389 9.374 1.00 0.00 C ATOM 865 O GLU A 58 -8.234 -9.167 8.878 1.00 0.00 O ATOM 866 CB GLU A 58 -8.145 -7.662 11.713 1.00 0.00 C ATOM 867 CG GLU A 58 -9.578 -8.224 11.714 1.00 0.00 C ATOM 868 CD GLU A 58 -10.407 -7.912 10.458 1.00 0.00 C ATOM 869 OE1 GLU A 58 -10.291 -6.769 9.960 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.249 -8.768 10.111 1.00 0.00 O ATOM 0 H GLU A 58 -5.682 -6.945 11.120 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.190 -9.515 11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.791 -7.613 12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.174 -6.639 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.526 -9.306 11.835 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.104 -7.830 12.584 1.00 0.00 H new ATOM 877 N TYR A 59 -6.911 -7.353 8.714 1.00 0.00 N ATOM 878 CA TYR A 59 -6.990 -7.218 7.246 1.00 0.00 C ATOM 879 C TYR A 59 -5.952 -8.037 6.461 1.00 0.00 C ATOM 880 O TYR A 59 -6.166 -8.327 5.288 1.00 0.00 O ATOM 881 CB TYR A 59 -6.913 -5.750 6.813 1.00 0.00 C ATOM 882 CG TYR A 59 -8.179 -4.924 7.071 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.700 -4.746 8.349 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.805 -4.317 5.989 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.847 -3.987 8.540 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.942 -3.546 6.178 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.472 -3.392 7.452 1.00 0.00 C ATOM 888 OH TYR A 59 -11.638 -2.720 7.629 1.00 0.00 O ATOM 0 H TYR A 59 -6.428 -6.581 9.173 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.965 -7.636 6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.079 -5.278 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.686 -5.714 5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.210 -5.201 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.404 -4.447 4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.252 -3.860 9.533 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.415 -3.065 5.334 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.340 -3.135 7.086 1.00 0.00 H new ATOM 898 N GLN A 60 -4.797 -8.280 7.090 1.00 0.00 N ATOM 899 CA GLN A 60 -3.594 -8.953 6.542 1.00 0.00 C ATOM 900 C GLN A 60 -2.842 -8.165 5.443 1.00 0.00 C ATOM 901 O GLN A 60 -1.614 -8.142 5.449 1.00 0.00 O ATOM 902 CB GLN A 60 -3.934 -10.403 6.151 1.00 0.00 C ATOM 903 CG GLN A 60 -2.712 -11.272 5.828 1.00 0.00 C ATOM 904 CD GLN A 60 -2.333 -11.287 4.343 1.00 0.00 C ATOM 905 OE1 GLN A 60 -2.664 -10.428 3.536 1.00 0.00 O ATOM 906 NE2 GLN A 60 -1.654 -12.337 3.939 1.00 0.00 N ATOM 0 H GLN A 60 -4.659 -7.997 8.060 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.857 -8.982 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.489 -10.866 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.594 -10.388 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.861 -10.913 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.910 -12.294 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.377 -13.054 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.404 -12.435 2.955 1.00 0.00 H new ATOM 915 N VAL A 61 -3.595 -7.376 4.673 1.00 0.00 N ATOM 916 CA VAL A 61 -3.152 -6.475 3.576 1.00 0.00 C ATOM 917 C VAL A 61 -1.888 -5.629 3.868 1.00 0.00 C ATOM 918 O VAL A 61 -1.121 -5.359 2.943 1.00 0.00 O ATOM 919 CB VAL A 61 -4.347 -5.583 3.142 1.00 0.00 C ATOM 920 CG1 VAL A 61 -4.021 -4.627 1.987 1.00 0.00 C ATOM 921 CG2 VAL A 61 -5.559 -6.418 2.708 1.00 0.00 C ATOM 0 H VAL A 61 -4.606 -7.338 4.799 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.835 -7.124 2.760 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.574 -4.999 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.905 -4.038 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.212 -3.960 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.714 -5.203 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.371 -5.754 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.282 -7.050 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.886 -7.044 3.538 1.00 0.00 H new ATOM 931 N GLU A 62 -1.676 -5.263 5.138 1.00 0.00 N ATOM 932 CA GLU A 62 -0.548 -4.436 5.639 1.00 0.00 C ATOM 933 C GLU A 62 -0.591 -2.978 5.132 1.00 0.00 C ATOM 934 O GLU A 62 -0.933 -2.700 3.986 1.00 0.00 O ATOM 935 CB GLU A 62 0.793 -5.101 5.269 1.00 0.00 C ATOM 936 CG GLU A 62 2.034 -4.462 5.899 1.00 0.00 C ATOM 937 CD GLU A 62 3.317 -4.935 5.211 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.856 -5.981 5.628 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.773 -4.187 4.317 1.00 0.00 O ATOM 0 H GLU A 62 -2.310 -5.543 5.886 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.647 -4.384 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.754 -6.149 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.904 -5.080 4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.961 -3.377 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.075 -4.711 6.959 1.00 0.00 H new ATOM 946 N LEU A 63 -0.221 -2.063 6.036 1.00 0.00 N ATOM 947 CA LEU A 63 -0.027 -0.613 5.774 1.00 0.00 C ATOM 948 C LEU A 63 -1.289 0.191 5.375 1.00 0.00 C ATOM 949 O LEU A 63 -2.292 -0.399 4.971 1.00 0.00 O ATOM 950 CB LEU A 63 1.104 -0.403 4.748 1.00 0.00 C ATOM 951 CG LEU A 63 2.489 -0.831 5.256 1.00 0.00 C ATOM 952 CD1 LEU A 63 3.494 -0.756 4.105 1.00 0.00 C ATOM 953 CD2 LEU A 63 2.973 0.038 6.420 1.00 0.00 C ATOM 0 H LEU A 63 -0.039 -2.311 7.009 1.00 0.00 H new ATOM 0 HA LEU A 63 0.248 -0.197 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.870 -0.964 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.139 0.650 4.470 1.00 0.00 H new ATOM 0 HG LEU A 63 2.407 -1.853 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.479 -1.059 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.178 -1.422 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.543 0.266 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.956 -0.303 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.038 1.077 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.270 -0.040 7.249 1.00 0.00 H new ATOM 965 N PRO A 64 -1.316 1.515 5.621 1.00 0.00 N ATOM 966 CA PRO A 64 -2.452 2.372 5.215 1.00 0.00 C ATOM 967 C PRO A 64 -2.491 2.571 3.686 1.00 0.00 C ATOM 968 O PRO A 64 -1.850 1.830 2.945 1.00 0.00 O ATOM 969 CB PRO A 64 -2.232 3.669 6.003 1.00 0.00 C ATOM 970 CG PRO A 64 -0.713 3.775 6.104 1.00 0.00 C ATOM 971 CD PRO A 64 -0.287 2.323 6.310 1.00 0.00 C ATOM 0 HA PRO A 64 -3.426 1.937 5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.660 4.529 5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.697 3.623 6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.276 4.201 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.406 4.409 6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.703 2.140 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.236 2.074 7.370 1.00 0.00 H new ATOM 979 N LEU A 65 -3.235 3.590 3.241 1.00 0.00 N ATOM 980 CA LEU A 65 -3.421 4.001 1.829 1.00 0.00 C ATOM 981 C LEU A 65 -4.188 3.000 0.943 1.00 0.00 C ATOM 982 O LEU A 65 -5.208 3.373 0.368 1.00 0.00 O ATOM 983 CB LEU A 65 -2.082 4.396 1.180 1.00 0.00 C ATOM 984 CG LEU A 65 -2.216 5.001 -0.223 1.00 0.00 C ATOM 985 CD1 LEU A 65 -2.734 6.442 -0.167 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.876 4.925 -0.956 1.00 0.00 C ATOM 0 H LEU A 65 -3.755 4.187 3.884 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.070 4.875 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.576 5.114 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.445 3.514 1.123 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.951 4.418 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.816 6.839 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.714 6.458 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.041 7.056 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.981 5.357 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.123 5.481 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.568 3.883 -1.043 1.00 0.00 H new ATOM 998 N LYS A 66 -3.762 1.737 0.955 1.00 0.00 N ATOM 999 CA LYS A 66 -4.336 0.622 0.167 1.00 0.00 C ATOM 1000 C LYS A 66 -5.836 0.446 0.491 1.00 0.00 C ATOM 1001 O LYS A 66 -6.673 1.159 -0.061 1.00 0.00 O ATOM 1002 CB LYS A 66 -3.538 -0.664 0.452 1.00 0.00 C ATOM 1003 CG LYS A 66 -2.032 -0.539 0.204 1.00 0.00 C ATOM 1004 CD LYS A 66 -1.312 -1.748 0.799 1.00 0.00 C ATOM 1005 CE LYS A 66 0.206 -1.587 0.755 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.844 -2.705 1.464 1.00 0.00 N ATOM 0 H LYS A 66 -2.976 1.440 1.534 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.261 0.847 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.701 -0.956 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.932 -1.467 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.834 -0.475 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.654 0.379 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.632 -1.889 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.598 -2.646 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.548 -1.557 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.494 -0.641 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.844 -2.479 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.360 -2.863 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.781 -3.566 0.884 1.00 0.00 H new ATOM 1020 N VAL A 67 -6.130 -0.303 1.555 1.00 0.00 N ATOM 1021 CA VAL A 67 -7.493 -0.463 2.110 1.00 0.00 C ATOM 1022 C VAL A 67 -7.958 0.728 2.984 1.00 0.00 C ATOM 1023 O VAL A 67 -8.360 0.584 4.136 1.00 0.00 O ATOM 1024 CB VAL A 67 -7.684 -1.834 2.795 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -7.751 -2.961 1.763 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -6.608 -2.154 3.834 1.00 0.00 C ATOM 0 H VAL A 67 -5.423 -0.828 2.070 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.166 -0.449 1.253 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.633 -1.763 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.886 -3.914 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.590 -2.788 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.825 -2.985 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.806 -3.131 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.630 -2.164 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.620 -1.395 4.616 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.726 1.917 2.429 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.139 3.222 2.990 1.00 0.00 C ATOM 1038 C LEU A 68 -8.556 4.271 1.946 1.00 0.00 C ATOM 1039 O LEU A 68 -9.586 4.921 2.098 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.046 3.834 3.877 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.115 3.408 5.345 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -5.934 4.021 6.096 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -8.420 3.872 6.001 1.00 0.00 C ATOM 0 H LEU A 68 -7.228 2.012 1.544 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.023 2.978 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.071 3.557 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.116 4.920 3.822 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.078 2.320 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.975 3.723 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.001 3.670 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.983 5.108 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.437 3.553 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.485 4.959 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.268 3.434 5.474 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.699 4.459 0.944 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.891 5.452 -0.132 1.00 0.00 C ATOM 1057 C PHE A 69 -8.199 4.778 -1.477 1.00 0.00 C ATOM 1058 O PHE A 69 -9.187 5.121 -2.118 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.640 6.332 -0.256 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.442 7.285 0.929 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.888 6.831 2.122 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.811 8.618 0.805 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.714 7.704 3.190 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.627 9.495 1.869 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.082 9.039 3.063 1.00 0.00 C ATOM 0 H PHE A 69 -6.837 3.922 0.848 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.749 6.071 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.763 5.692 -0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.706 6.916 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.592 5.797 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.242 8.974 -0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.293 7.345 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.908 10.533 1.767 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.945 9.720 3.890 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.380 3.790 -1.850 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.627 2.945 -3.039 1.00 0.00 C ATOM 1077 C ALA A 70 -8.866 2.048 -2.849 1.00 0.00 C ATOM 1078 O ALA A 70 -9.696 1.915 -3.746 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.377 2.115 -3.343 1.00 0.00 C ATOM 0 H ALA A 70 -6.528 3.548 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.837 3.592 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.558 1.492 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.537 2.781 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.145 1.480 -2.488 1.00 0.00 H new ATOM 1085 N GLN A 71 -8.966 1.447 -1.662 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.194 0.772 -1.196 1.00 0.00 C ATOM 1087 C GLN A 71 -10.738 1.488 0.061 1.00 0.00 C ATOM 1088 O GLN A 71 -10.335 1.155 1.175 1.00 0.00 O ATOM 1089 CB GLN A 71 -9.945 -0.718 -0.904 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.361 -1.504 -2.084 1.00 0.00 C ATOM 1091 CD GLN A 71 -7.849 -1.693 -1.931 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.037 -0.790 -2.071 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.441 -2.886 -1.574 1.00 0.00 N ATOM 0 H GLN A 71 -8.200 1.411 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.937 0.828 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.266 -0.801 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.886 -1.180 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.847 -2.478 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.572 -0.977 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.116 -3.642 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.449 -3.059 -1.414 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.569 2.528 -0.110 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.199 3.241 1.022 1.00 0.00 C ATOM 1104 C PRO A 72 -13.500 2.601 1.540 1.00 0.00 C ATOM 1105 O PRO A 72 -13.882 2.812 2.690 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.439 4.651 0.486 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.727 4.422 -0.998 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.805 3.259 -1.372 1.00 0.00 C ATOM 0 HA PRO A 72 -11.552 3.213 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.277 5.134 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.568 5.290 0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.774 4.173 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.510 5.311 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.268 2.615 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.869 3.620 -1.798 1.00 0.00 H new ATOM 1116 N THR A 73 -14.197 1.882 0.659 1.00 0.00 N ATOM 1117 CA THR A 73 -15.510 1.273 0.958 1.00 0.00 C ATOM 1118 C THR A 73 -15.316 -0.035 1.734 1.00 0.00 C ATOM 1119 O THR A 73 -14.505 -0.877 1.349 1.00 0.00 O ATOM 1120 CB THR A 73 -16.340 0.983 -0.312 1.00 0.00 C ATOM 1121 OG1 THR A 73 -15.742 -0.040 -1.118 1.00 0.00 O ATOM 1122 CG2 THR A 73 -16.558 2.224 -1.182 1.00 0.00 C ATOM 0 H THR A 73 -13.871 1.700 -0.290 1.00 0.00 H new ATOM 0 HA THR A 73 -16.061 1.999 1.556 1.00 0.00 H new ATOM 0 HB THR A 73 -17.308 0.644 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.296 -0.197 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.148 1.955 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.088 2.983 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.593 2.619 -1.501 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.154 -0.242 2.747 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.188 -1.528 3.478 1.00 0.00 C ATOM 1132 C ILE A 74 -16.585 -2.705 2.557 1.00 0.00 C ATOM 1133 O ILE A 74 -16.159 -3.832 2.780 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.968 -1.398 4.806 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.268 -2.122 5.972 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.450 -1.766 4.722 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.091 -3.646 5.872 1.00 0.00 C ATOM 0 H ILE A 74 -16.819 0.453 3.087 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.178 -1.791 3.793 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.954 -0.329 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.280 -1.678 6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.829 -1.910 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.911 -1.643 5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.946 -1.114 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.550 -2.803 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.583 -4.013 6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.068 -4.121 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.495 -3.886 4.991 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.289 -2.403 1.468 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.561 -3.368 0.383 1.00 0.00 C ATOM 1151 C LYS A 75 -16.260 -3.899 -0.251 1.00 0.00 C ATOM 1152 O LYS A 75 -16.025 -5.109 -0.256 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.478 -2.697 -0.646 1.00 0.00 C ATOM 1154 CG LYS A 75 -19.010 -3.629 -1.742 1.00 0.00 C ATOM 1155 CD LYS A 75 -19.754 -4.844 -1.172 1.00 0.00 C ATOM 1156 CE LYS A 75 -20.883 -5.304 -2.095 1.00 0.00 C ATOM 1157 NZ LYS A 75 -22.009 -4.358 -2.035 1.00 0.00 N ATOM 0 H LYS A 75 -17.692 -1.481 1.304 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.065 -4.244 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.326 -2.255 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.933 -1.879 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.680 -3.070 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.178 -3.972 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.051 -5.663 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.164 -4.593 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.517 -5.380 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.219 -6.299 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.866 -4.814 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.170 -4.072 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.788 -3.518 -2.607 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.371 -2.989 -0.651 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.026 -3.356 -1.142 1.00 0.00 C ATOM 1173 C ALA A 76 -13.165 -4.003 -0.041 1.00 0.00 C ATOM 1174 O ALA A 76 -12.604 -5.074 -0.263 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.320 -2.132 -1.725 1.00 0.00 C ATOM 0 H ALA A 76 -15.552 -1.985 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.157 -4.099 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.331 -2.418 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.905 -1.736 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.220 -1.368 -0.954 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.254 -3.460 1.177 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.560 -4.006 2.365 1.00 0.00 C ATOM 1183 C LEU A 77 -12.951 -5.468 2.648 1.00 0.00 C ATOM 1184 O LEU A 77 -12.078 -6.330 2.694 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.822 -3.161 3.625 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.546 -1.653 3.505 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.798 -0.959 4.845 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -11.132 -1.337 3.027 1.00 0.00 C ATOM 0 H LEU A 77 -13.809 -2.627 1.375 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.497 -3.968 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.864 -3.296 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.210 -3.557 4.436 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.234 -1.275 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.599 0.108 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.836 -1.108 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.139 -1.382 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.002 -0.257 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.409 -1.749 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.973 -1.780 2.044 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.253 -5.755 2.614 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.819 -7.110 2.786 1.00 0.00 C ATOM 1202 C ALA A 78 -14.280 -8.120 1.760 1.00 0.00 C ATOM 1203 O ALA A 78 -13.776 -9.164 2.162 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.349 -7.056 2.719 1.00 0.00 C ATOM 0 H ALA A 78 -14.966 -5.042 2.463 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.504 -7.460 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.754 -8.060 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.725 -6.409 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.657 -6.661 1.751 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.233 -7.710 0.494 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.650 -8.504 -0.609 1.00 0.00 C ATOM 1212 C GLN A 79 -12.120 -8.685 -0.546 1.00 0.00 C ATOM 1213 O GLN A 79 -11.579 -9.659 -1.062 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.104 -7.903 -1.944 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.332 -8.625 -2.519 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.564 -8.735 -1.605 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.111 -9.802 -1.375 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.058 -7.643 -1.063 1.00 0.00 N ATOM 0 H GLN A 79 -14.601 -6.808 0.192 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.028 -9.521 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.338 -6.848 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.285 -7.956 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.632 -8.111 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.030 -9.633 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.617 -6.741 -1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.882 -7.699 -0.464 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.435 -7.679 -0.006 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.002 -7.753 0.342 1.00 0.00 C ATOM 1229 C TYR A 80 -9.647 -8.577 1.594 1.00 0.00 C ATOM 1230 O TYR A 80 -8.494 -8.958 1.775 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.406 -6.345 0.418 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.824 -5.950 -0.941 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.637 -5.442 -1.946 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.473 -6.169 -1.188 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.102 -5.154 -3.194 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.934 -5.879 -2.434 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.751 -5.363 -3.435 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.213 -4.934 -4.604 1.00 0.00 O ATOM 0 H TYR A 80 -11.857 -6.775 0.208 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.547 -8.318 -0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.174 -5.631 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.627 -6.311 1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.686 -5.271 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.841 -6.566 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.737 -4.767 -3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.885 -6.053 -2.625 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.258 -5.152 -4.624 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.619 -8.755 2.489 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.434 -9.585 3.701 1.00 0.00 C ATOM 1250 C VAL A 81 -11.114 -10.965 3.619 1.00 0.00 C ATOM 1251 O VAL A 81 -10.489 -11.913 3.144 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.706 -8.826 5.020 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.706 -7.684 5.165 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -12.120 -8.259 5.188 1.00 0.00 C ATOM 0 H VAL A 81 -11.547 -8.339 2.406 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.368 -9.809 3.728 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.597 -9.580 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.897 -7.149 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.693 -8.087 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.811 -6.999 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.196 -7.748 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -12.327 -7.553 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.845 -9.072 5.152 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.441 -10.974 3.736 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.280 -12.188 3.814 1.00 0.00 C ATOM 1266 C ALA A 82 -13.630 -12.715 2.408 1.00 0.00 C ATOM 1267 O ALA A 82 -14.769 -12.721 1.941 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.522 -11.857 4.652 1.00 0.00 C ATOM 0 H ALA A 82 -12.987 -10.114 3.781 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.735 -12.997 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.158 -12.739 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.215 -11.548 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.077 -11.048 4.177 1.00 0.00 H new ATOM 1274 N THR A 83 -12.550 -13.056 1.715 1.00 0.00 N ATOM 1275 CA THR A 83 -12.513 -13.573 0.328 1.00 0.00 C ATOM 1276 C THR A 83 -11.156 -14.267 0.102 1.00 0.00 C ATOM 1277 O THR A 83 -11.133 -15.447 -0.232 1.00 0.00 O ATOM 1278 CB THR A 83 -12.737 -12.452 -0.710 1.00 0.00 C ATOM 1279 OG1 THR A 83 -13.962 -11.763 -0.441 1.00 0.00 O ATOM 1280 CG2 THR A 83 -12.780 -12.974 -2.151 1.00 0.00 C ATOM 0 H THR A 83 -11.616 -12.979 2.118 1.00 0.00 H new ATOM 0 HA THR A 83 -13.325 -14.287 0.193 1.00 0.00 H new ATOM 0 HB THR A 83 -11.885 -11.778 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.479 -12.263 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.940 -12.141 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.835 -13.463 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.595 -13.690 -2.254 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.057 -13.538 0.321 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.698 -14.121 0.223 1.00 0.00 C ATOM 1290 C ARG A 84 -7.877 -14.196 1.529 1.00 0.00 C ATOM 1291 O ARG A 84 -7.093 -15.126 1.706 1.00 0.00 O ATOM 1292 CB ARG A 84 -7.878 -13.464 -0.903 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.359 -12.039 -0.644 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.430 -10.943 -0.698 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.905 -10.658 -2.067 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.199 -10.128 -3.072 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.025 -9.539 -2.880 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.755 -10.006 -4.268 1.00 0.00 N ATOM 0 H ARG A 84 -10.072 -12.548 0.566 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.897 -15.164 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.022 -14.104 -1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.493 -13.443 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.883 -12.014 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.588 -11.810 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.278 -11.242 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.027 -10.029 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.878 -10.891 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.632 -9.479 -1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.516 -9.146 -3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.715 -10.315 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.223 -9.603 -5.039 1.00 0.00 H new ATOM 1312 N SER A 85 -8.092 -13.251 2.448 1.00 0.00 N ATOM 1313 CA SER A 85 -7.327 -13.101 3.714 1.00 0.00 C ATOM 1314 C SER A 85 -5.790 -13.027 3.561 1.00 0.00 C ATOM 1315 O SER A 85 -5.346 -12.629 2.461 1.00 0.00 O ATOM 1316 CB SER A 85 -7.721 -14.197 4.717 1.00 0.00 C ATOM 1317 OG SER A 85 -9.105 -14.090 5.063 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.075 -13.344 4.542 1.00 99.99 O ATOM 0 H SER A 85 -8.820 -12.544 2.340 1.00 0.00 H new ATOM 0 HA SER A 85 -7.612 -12.121 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.523 -15.179 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.109 -14.113 5.615 1.00 0.00 H new ATOM 0 HG SER A 85 -9.515 -13.361 4.552 1.00 0.00 H new TER 1324 SER A 85