USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 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 87 THR OG1 : rot -152:sc= 0.886 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= 0.979 F(o=0.92,f=1.9) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -178:sc= -0.0334 (180deg=-0.566) USER MOD Set 2.2: A 67 TYR OH : rot -100:sc= 0.808 USER MOD Set 2.3: A 103 CYS SG : rot -51:sc= -1.09! USER MOD Set 3.1: A 43 SER OG : rot -43:sc= 0.114 USER MOD Set 3.2: A 45 SER OG : rot -98:sc= 0.311 USER MOD Set 4.1: A 34 LYS NZ :NH3+ 161:sc= 0.709 (180deg=-0.395) USER MOD Set 4.2: A 107 THR OG1 : rot -120:sc= 0.521 USER MOD Set 5.1: A 13 LYS NZ :NH3+ -109:sc= 1.33 (180deg=-0.394) USER MOD Set 5.2: A 110 CYS SG : rot 80:sc= -1.81! USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0609 (180deg=0) USER MOD Single : A 2 SER OG : rot 140:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -50:sc= 0.723 USER MOD Single : A 20 SER OG : rot 160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc=-0.000666 (180deg=-0.0286) USER MOD Single : A 27 GLN : amide:sc= -0.147 X(o=-0.15,f=0.021) USER MOD Single : A 32 MET CE :methyl 180:sc= -0.262 (180deg=-0.262) USER MOD Single : A 33 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.4) USER MOD Single : A 37 SER OG : rot -64:sc= 1.08 USER MOD Single : A 46 ASN : amide:sc= -6.86! C(o=-6.9!,f=-14!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 57:sc= 0.805 USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -1.78 (180deg=-3.03!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 59 THR OG1 : rot -10:sc= 0.538 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.54) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0.91 (180deg=0.861) USER MOD Single : A 71 SER OG : rot 133:sc= 0.392 USER MOD Single : A 74 ASN : amide:sc= 0.0623 X(o=0.062,f=-0.29) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 166:sc= 0.0679 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.2) USER MOD Single : A 94 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.0069) USER MOD Single : A 95 TYR OH : rot 158:sc= -1.67! USER MOD Single : A 96 SER OG : rot 49:sc= 1.28 USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0183) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0.65 (180deg=0.637) USER MOD Single : A 104 GLN : amide:sc= -0.926 X(o=-0.93,f=-0.46) USER MOD Single : A 105 LYS NZ :NH3+ -148:sc= 0.106 (180deg=-0.369!) USER MOD Single : A 112 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.463 5.064 -20.189 1.00 0.00 N ATOM 2 CA GLY A 1 -24.567 6.123 -19.735 1.00 0.00 C ATOM 3 C GLY A 1 -24.948 6.670 -18.358 1.00 0.00 C ATOM 4 O GLY A 1 -25.887 6.200 -17.728 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.932 4.174 -20.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.232 4.941 -19.500 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.864 5.321 -21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.547 5.740 -19.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.577 6.937 -20.460 1.00 0.00 H new ATOM 10 N SER A 2 -24.153 7.680 -17.943 1.00 0.00 N ATOM 11 CA SER A 2 -24.361 8.330 -16.650 1.00 0.00 C ATOM 12 C SER A 2 -25.384 9.465 -16.779 1.00 0.00 C ATOM 13 O SER A 2 -25.623 10.014 -17.848 1.00 0.00 O ATOM 14 CB SER A 2 -23.030 8.959 -16.134 1.00 0.00 C ATOM 15 OG SER A 2 -23.050 9.927 -15.004 1.00 0.00 O ATOM 0 H SER A 2 -23.373 8.053 -18.484 1.00 0.00 H new ATOM 0 HA SER A 2 -24.718 7.569 -15.956 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.375 8.137 -15.845 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.559 9.459 -16.980 1.00 0.00 H new ATOM 0 HG SER A 2 -22.289 9.754 -14.411 1.00 0.00 H new ATOM 21 N VAL A 3 -25.954 9.766 -15.595 1.00 0.00 N ATOM 22 CA VAL A 3 -26.940 10.831 -15.448 1.00 0.00 C ATOM 23 C VAL A 3 -26.199 12.171 -15.274 1.00 0.00 C ATOM 24 O VAL A 3 -26.344 13.107 -16.048 1.00 0.00 O ATOM 25 CB VAL A 3 -27.834 10.508 -14.234 1.00 0.00 C ATOM 26 CG1 VAL A 3 -28.872 11.606 -13.965 1.00 0.00 C ATOM 27 CG2 VAL A 3 -28.540 9.156 -14.416 1.00 0.00 C ATOM 0 H VAL A 3 -25.740 9.276 -14.726 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.576 10.908 -16.330 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.175 10.455 -13.368 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.477 11.331 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.362 12.548 -13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.516 11.719 -14.837 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.164 8.952 -13.546 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.163 9.188 -15.310 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -27.795 8.368 -14.521 1.00 0.00 H new ATOM 37 N ALA A 4 -25.390 12.159 -14.196 1.00 0.00 N ATOM 38 CA ALA A 4 -24.561 13.284 -13.794 1.00 0.00 C ATOM 39 C ALA A 4 -23.161 12.719 -13.463 1.00 0.00 C ATOM 40 O ALA A 4 -22.970 12.130 -12.406 1.00 0.00 O ATOM 41 CB ALA A 4 -25.193 13.917 -12.555 1.00 0.00 C ATOM 0 H ALA A 4 -25.302 11.351 -13.580 1.00 0.00 H new ATOM 0 HA ALA A 4 -24.480 14.040 -14.575 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.590 14.765 -12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.200 14.258 -12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -25.241 13.180 -11.754 1.00 0.00 H new ATOM 47 N PRO A 5 -22.181 12.897 -14.397 1.00 0.00 N ATOM 48 CA PRO A 5 -20.828 12.384 -14.173 1.00 0.00 C ATOM 49 C PRO A 5 -20.099 13.198 -13.090 1.00 0.00 C ATOM 50 O PRO A 5 -19.788 14.370 -13.260 1.00 0.00 O ATOM 51 CB PRO A 5 -20.161 12.520 -15.545 1.00 0.00 C ATOM 52 CG PRO A 5 -20.912 13.657 -16.244 1.00 0.00 C ATOM 53 CD PRO A 5 -22.324 13.622 -15.662 1.00 0.00 C ATOM 0 HA PRO A 5 -20.812 11.357 -13.807 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -19.100 12.751 -15.446 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -20.234 11.592 -16.112 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -20.433 14.618 -16.058 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -20.928 13.513 -17.324 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -22.712 14.628 -15.501 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.018 13.116 -16.333 1.00 0.00 H new ATOM 61 N VAL A 6 -19.871 12.475 -11.973 1.00 0.00 N ATOM 62 CA VAL A 6 -19.216 13.026 -10.794 1.00 0.00 C ATOM 63 C VAL A 6 -18.343 11.926 -10.167 1.00 0.00 C ATOM 64 O VAL A 6 -18.762 10.786 -10.006 1.00 0.00 O ATOM 65 CB VAL A 6 -20.286 13.495 -9.777 1.00 0.00 C ATOM 66 CG1 VAL A 6 -19.672 13.973 -8.450 1.00 0.00 C ATOM 67 CG2 VAL A 6 -21.185 14.600 -10.359 1.00 0.00 C ATOM 0 H VAL A 6 -20.140 11.496 -11.875 1.00 0.00 H new ATOM 0 HA VAL A 6 -18.597 13.880 -11.070 1.00 0.00 H new ATOM 0 HB VAL A 6 -20.898 12.617 -9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.467 14.290 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -19.112 13.157 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -19.002 14.811 -8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -21.921 14.900 -9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -20.574 15.460 -10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -21.698 14.223 -11.244 1.00 0.00 H new ATOM 77 N GLU A 7 -17.110 12.357 -9.830 1.00 0.00 N ATOM 78 CA GLU A 7 -16.118 11.491 -9.191 1.00 0.00 C ATOM 79 C GLU A 7 -16.361 11.441 -7.667 1.00 0.00 C ATOM 80 O GLU A 7 -16.716 12.438 -7.052 1.00 0.00 O ATOM 81 CB GLU A 7 -14.687 11.963 -9.525 1.00 0.00 C ATOM 82 CG GLU A 7 -14.293 13.369 -9.019 1.00 0.00 C ATOM 83 CD GLU A 7 -14.989 14.503 -9.793 1.00 0.00 C ATOM 84 OE1 GLU A 7 -14.680 14.688 -10.969 1.00 0.00 O ATOM 85 OE2 GLU A 7 -15.839 15.180 -9.215 1.00 0.00 O ATOM 0 H GLU A 7 -16.783 13.309 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.226 10.479 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.983 11.241 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.564 11.942 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.543 13.452 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.213 13.490 -9.102 1.00 0.00 H new ATOM 92 N THR A 8 -16.171 10.227 -7.102 1.00 0.00 N ATOM 93 CA THR A 8 -16.404 10.069 -5.662 1.00 0.00 C ATOM 94 C THR A 8 -15.825 8.760 -5.094 1.00 0.00 C ATOM 95 O THR A 8 -15.230 8.742 -4.022 1.00 0.00 O ATOM 96 CB THR A 8 -17.929 10.126 -5.311 1.00 0.00 C ATOM 97 OG1 THR A 8 -18.315 9.676 -3.969 1.00 0.00 O ATOM 98 CG2 THR A 8 -18.795 9.499 -6.447 1.00 0.00 C ATOM 0 H THR A 8 -15.872 9.386 -7.597 1.00 0.00 H new ATOM 0 HA THR A 8 -15.882 10.908 -5.201 1.00 0.00 H new ATOM 0 HB THR A 8 -18.152 11.192 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.286 9.758 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.849 9.554 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.632 10.048 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.510 8.456 -6.588 1.00 0.00 H new ATOM 106 N LEU A 9 -16.046 7.675 -5.863 1.00 0.00 N ATOM 107 CA LEU A 9 -15.580 6.354 -5.459 1.00 0.00 C ATOM 108 C LEU A 9 -14.126 6.146 -5.926 1.00 0.00 C ATOM 109 O LEU A 9 -13.517 6.993 -6.568 1.00 0.00 O ATOM 110 CB LEU A 9 -16.504 5.280 -6.072 1.00 0.00 C ATOM 111 CG LEU A 9 -17.981 5.404 -5.662 1.00 0.00 C ATOM 112 CD1 LEU A 9 -18.864 4.506 -6.535 1.00 0.00 C ATOM 113 CD2 LEU A 9 -18.193 5.067 -4.177 1.00 0.00 C ATOM 0 H LEU A 9 -16.539 7.697 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.608 6.270 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.435 5.336 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.140 4.295 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.270 6.444 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.905 4.609 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.763 4.801 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.553 3.468 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -19.250 5.167 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.871 4.043 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.609 5.752 -3.562 1.00 0.00 H new ATOM 125 N GLU A 10 -13.638 4.949 -5.546 1.00 0.00 N ATOM 126 CA GLU A 10 -12.297 4.495 -5.876 1.00 0.00 C ATOM 127 C GLU A 10 -12.300 3.941 -7.303 1.00 0.00 C ATOM 128 O GLU A 10 -13.317 3.503 -7.826 1.00 0.00 O ATOM 129 CB GLU A 10 -11.916 3.351 -4.924 1.00 0.00 C ATOM 130 CG GLU A 10 -11.712 3.806 -3.478 1.00 0.00 C ATOM 131 CD GLU A 10 -10.412 4.609 -3.325 1.00 0.00 C ATOM 132 OE1 GLU A 10 -9.343 4.004 -3.384 1.00 0.00 O ATOM 133 OE2 GLU A 10 -10.479 5.822 -3.140 1.00 0.00 O ATOM 0 H GLU A 10 -14.175 4.276 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.593 5.322 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.697 2.591 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.000 2.881 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.558 4.417 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.685 2.937 -2.821 1.00 0.00 H new ATOM 140 N VAL A 11 -11.085 3.983 -7.887 1.00 0.00 N ATOM 141 CA VAL A 11 -10.895 3.471 -9.246 1.00 0.00 C ATOM 142 C VAL A 11 -11.014 1.931 -9.255 1.00 0.00 C ATOM 143 O VAL A 11 -11.477 1.324 -10.211 1.00 0.00 O ATOM 144 CB VAL A 11 -9.503 3.883 -9.772 1.00 0.00 C ATOM 145 CG1 VAL A 11 -9.230 5.383 -9.587 1.00 0.00 C ATOM 146 CG2 VAL A 11 -8.392 3.041 -9.126 1.00 0.00 C ATOM 0 H VAL A 11 -10.244 4.357 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.666 3.893 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.502 3.686 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.239 5.623 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.979 5.959 -10.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.278 5.633 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.424 3.355 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.410 3.182 -8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.553 1.988 -9.357 1.00 0.00 H new ATOM 156 N GLU A 12 -10.529 1.386 -8.113 1.00 0.00 N ATOM 157 CA GLU A 12 -10.476 -0.024 -7.778 1.00 0.00 C ATOM 158 C GLU A 12 -9.234 -0.696 -8.358 1.00 0.00 C ATOM 159 O GLU A 12 -8.886 -0.598 -9.529 1.00 0.00 O ATOM 160 CB GLU A 12 -11.776 -0.770 -8.094 1.00 0.00 C ATOM 161 CG GLU A 12 -12.872 -0.239 -7.172 1.00 0.00 C ATOM 162 CD GLU A 12 -12.725 -0.855 -5.763 1.00 0.00 C ATOM 163 OE1 GLU A 12 -12.715 -2.082 -5.654 1.00 0.00 O ATOM 164 OE2 GLU A 12 -12.597 -0.104 -4.797 1.00 0.00 O ATOM 0 H GLU A 12 -10.146 1.969 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.381 -0.084 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.054 -0.623 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.643 -1.842 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.811 0.848 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.852 -0.481 -7.583 1.00 0.00 H new ATOM 171 N LYS A 13 -8.601 -1.366 -7.377 1.00 0.00 N ATOM 172 CA LYS A 13 -7.407 -2.156 -7.512 1.00 0.00 C ATOM 173 C LYS A 13 -6.163 -1.303 -7.721 1.00 0.00 C ATOM 174 O LYS A 13 -5.259 -1.442 -6.907 1.00 0.00 O ATOM 175 CB LYS A 13 -7.621 -3.350 -8.437 1.00 0.00 C ATOM 176 CG LYS A 13 -8.714 -4.275 -7.871 1.00 0.00 C ATOM 177 CD LYS A 13 -8.440 -4.801 -6.455 1.00 0.00 C ATOM 178 CE LYS A 13 -9.344 -5.977 -6.093 1.00 0.00 C ATOM 179 NZ LYS A 13 -8.852 -7.233 -6.647 1.00 0.00 N ATOM 0 H LYS A 13 -8.947 -1.356 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.182 -2.635 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.907 -3.003 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.689 -3.904 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.661 -3.735 -7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.835 -5.125 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.397 -5.109 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.588 -3.996 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.413 -6.061 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.352 -5.787 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.478 -7.541 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.890 -7.096 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.837 -7.959 -5.902 1.00 0.00 H new ATOM 193 N TRP A 14 -6.082 -0.421 -8.771 1.00 0.00 N ATOM 194 CA TRP A 14 -4.812 0.334 -8.823 1.00 0.00 C ATOM 195 C TRP A 14 -4.767 1.265 -7.600 1.00 0.00 C ATOM 196 O TRP A 14 -3.778 1.320 -6.888 1.00 0.00 O ATOM 197 CB TRP A 14 -4.378 1.003 -10.148 1.00 0.00 C ATOM 198 CG TRP A 14 -4.768 2.436 -10.491 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.512 2.821 -11.612 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.224 3.665 -9.937 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.427 4.165 -11.776 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.642 4.728 -10.778 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.431 3.948 -8.854 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.247 6.016 -10.506 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.047 5.260 -8.576 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.454 6.293 -9.401 1.00 0.00 C ATOM 0 H TRP A 14 -6.780 -0.238 -9.492 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.026 -0.421 -8.785 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.290 0.956 -10.183 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.751 0.373 -10.956 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.069 2.150 -12.249 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.877 4.689 -12.527 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.100 3.147 -8.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.556 6.820 -11.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.430 5.470 -7.714 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.157 7.309 -9.187 1.00 0.00 H new ATOM 217 N PHE A 15 -5.918 1.945 -7.396 1.00 0.00 N ATOM 218 CA PHE A 15 -6.103 2.819 -6.242 1.00 0.00 C ATOM 219 C PHE A 15 -7.150 2.131 -5.345 1.00 0.00 C ATOM 220 O PHE A 15 -8.352 2.187 -5.571 1.00 0.00 O ATOM 221 CB PHE A 15 -6.489 4.235 -6.680 1.00 0.00 C ATOM 222 CG PHE A 15 -6.085 5.246 -5.646 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.736 5.508 -5.416 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.049 5.926 -4.913 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.371 6.454 -4.470 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.681 6.866 -3.962 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.339 7.133 -3.743 1.00 0.00 C ATOM 0 H PHE A 15 -6.723 1.898 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.182 2.957 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.009 4.469 -7.630 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.565 4.288 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.978 4.977 -5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.095 5.721 -5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.326 6.664 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.437 7.388 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.047 7.868 -3.008 1.00 0.00 H new ATOM 237 N PHE A 16 -6.562 1.449 -4.337 1.00 0.00 N ATOM 238 CA PHE A 16 -7.300 0.639 -3.374 1.00 0.00 C ATOM 239 C PHE A 16 -6.956 1.054 -1.926 1.00 0.00 C ATOM 240 O PHE A 16 -6.751 0.217 -1.053 1.00 0.00 O ATOM 241 CB PHE A 16 -6.887 -0.819 -3.679 1.00 0.00 C ATOM 242 CG PHE A 16 -7.888 -1.906 -3.458 1.00 0.00 C ATOM 243 CD1 PHE A 16 -9.256 -1.732 -3.663 1.00 0.00 C ATOM 244 CD2 PHE A 16 -7.395 -3.144 -3.054 1.00 0.00 C ATOM 245 CE1 PHE A 16 -10.129 -2.788 -3.457 1.00 0.00 C ATOM 246 CE2 PHE A 16 -8.281 -4.192 -2.850 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.644 -4.020 -3.056 1.00 0.00 C ATOM 0 H PHE A 16 -5.554 1.453 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.379 0.768 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.575 -0.863 -4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.010 -1.048 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.636 -0.773 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.335 -3.287 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.189 -2.649 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.907 -5.152 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.323 -4.846 -2.904 1.00 0.00 H new ATOM 257 N ARG A 17 -6.882 2.393 -1.766 1.00 0.00 N ATOM 258 CA ARG A 17 -6.626 3.107 -0.516 1.00 0.00 C ATOM 259 C ARG A 17 -5.414 2.669 0.329 1.00 0.00 C ATOM 260 O ARG A 17 -4.393 3.337 0.326 1.00 0.00 O ATOM 261 CB ARG A 17 -7.894 3.118 0.352 1.00 0.00 C ATOM 262 CG ARG A 17 -8.787 4.330 0.074 1.00 0.00 C ATOM 263 CD ARG A 17 -10.182 4.085 0.624 1.00 0.00 C ATOM 264 NE ARG A 17 -10.856 3.170 -0.300 1.00 0.00 N ATOM 265 CZ ARG A 17 -11.559 2.079 0.060 1.00 0.00 C ATOM 266 NH1 ARG A 17 -11.765 1.779 1.336 1.00 0.00 N ATOM 267 NH2 ARG A 17 -12.054 1.288 -0.884 1.00 0.00 N ATOM 0 H ARG A 17 -7.007 3.030 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.347 4.105 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.461 2.205 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.610 3.115 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.358 5.221 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.838 4.516 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.131 3.654 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.733 5.022 0.708 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.787 3.376 -1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.388 2.380 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.301 0.947 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.900 1.510 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.588 0.458 -0.626 1.00 0.00 H new ATOM 281 N THR A 18 -5.604 1.569 1.099 1.00 0.00 N ATOM 282 CA THR A 18 -4.591 1.105 2.039 1.00 0.00 C ATOM 283 C THR A 18 -5.033 -0.203 2.710 1.00 0.00 C ATOM 284 O THR A 18 -5.393 -0.262 3.881 1.00 0.00 O ATOM 285 CB THR A 18 -4.250 2.102 3.205 1.00 0.00 C ATOM 286 OG1 THR A 18 -3.584 1.552 4.393 1.00 0.00 O ATOM 287 CG2 THR A 18 -5.454 3.022 3.559 1.00 0.00 C ATOM 0 H THR A 18 -6.450 0.999 1.077 1.00 0.00 H new ATOM 0 HA THR A 18 -3.702 0.988 1.419 1.00 0.00 H new ATOM 0 HB THR A 18 -3.460 2.716 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.069 0.758 4.702 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.172 3.694 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.734 3.607 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.300 2.410 3.872 1.00 0.00 H new ATOM 295 N ILE A 19 -4.986 -1.244 1.868 1.00 0.00 N ATOM 296 CA ILE A 19 -5.241 -2.610 2.318 1.00 0.00 C ATOM 297 C ILE A 19 -3.868 -3.027 2.869 1.00 0.00 C ATOM 298 O ILE A 19 -2.888 -2.338 2.590 1.00 0.00 O ATOM 299 CB ILE A 19 -5.602 -3.447 1.083 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.253 -4.780 1.396 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.422 -3.611 0.136 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.523 -5.537 0.089 1.00 0.00 C ATOM 0 H ILE A 19 -4.774 -1.162 0.874 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.044 -2.724 3.046 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.368 -2.865 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.605 -5.370 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.186 -4.623 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.725 -4.210 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.090 -2.630 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.605 -4.110 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.991 -6.495 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.188 -4.948 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.582 -5.707 -0.434 1.00 0.00 H new ATOM 314 N SER A 20 -3.783 -4.143 3.622 1.00 0.00 N ATOM 315 CA SER A 20 -2.425 -4.447 4.100 1.00 0.00 C ATOM 316 C SER A 20 -1.555 -4.877 2.909 1.00 0.00 C ATOM 317 O SER A 20 -2.025 -5.319 1.868 1.00 0.00 O ATOM 318 CB SER A 20 -2.356 -5.530 5.221 1.00 0.00 C ATOM 319 OG SER A 20 -1.053 -5.938 5.825 1.00 0.00 O ATOM 0 H SER A 20 -4.536 -4.778 3.886 1.00 0.00 H new ATOM 0 HA SER A 20 -2.052 -3.530 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.990 -5.184 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.817 -6.433 4.820 1.00 0.00 H new ATOM 0 HG SER A 20 -1.214 -6.362 6.694 1.00 0.00 H new ATOM 325 N ARG A 21 -0.252 -4.704 3.156 1.00 0.00 N ATOM 326 CA ARG A 21 0.790 -5.014 2.192 1.00 0.00 C ATOM 327 C ARG A 21 0.612 -6.411 1.552 1.00 0.00 C ATOM 328 O ARG A 21 0.660 -6.537 0.337 1.00 0.00 O ATOM 329 CB ARG A 21 2.161 -4.847 2.868 1.00 0.00 C ATOM 330 CG ARG A 21 3.295 -4.559 1.880 1.00 0.00 C ATOM 331 CD ARG A 21 3.256 -3.129 1.320 1.00 0.00 C ATOM 332 NE ARG A 21 4.512 -2.848 0.639 1.00 0.00 N ATOM 333 CZ ARG A 21 5.630 -2.427 1.268 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.636 -2.181 2.572 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.746 -2.258 0.572 1.00 0.00 N ATOM 0 H ARG A 21 0.104 -4.341 4.040 1.00 0.00 H new ATOM 0 HA ARG A 21 0.718 -4.313 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.104 -4.034 3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.396 -5.754 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.252 -4.723 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.239 -5.268 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.421 -3.019 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.098 -2.414 2.127 1.00 0.00 H new ATOM 0 HE ARG A 21 4.549 -2.977 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.785 -2.309 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.492 -1.864 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.755 -2.446 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.595 -1.940 1.039 1.00 0.00 H new ATOM 349 N LYS A 22 0.369 -7.438 2.410 1.00 0.00 N ATOM 350 CA LYS A 22 0.215 -8.800 1.879 1.00 0.00 C ATOM 351 C LYS A 22 -1.137 -9.071 1.223 1.00 0.00 C ATOM 352 O LYS A 22 -1.284 -10.005 0.445 1.00 0.00 O ATOM 353 CB LYS A 22 0.455 -9.904 2.919 1.00 0.00 C ATOM 354 CG LYS A 22 -0.682 -10.178 3.915 1.00 0.00 C ATOM 355 CD LYS A 22 -0.950 -8.993 4.818 1.00 0.00 C ATOM 356 CE LYS A 22 -2.053 -9.225 5.854 1.00 0.00 C ATOM 357 NZ LYS A 22 -1.761 -10.322 6.774 1.00 0.00 N ATOM 0 H LYS A 22 0.281 -7.349 3.422 1.00 0.00 H new ATOM 0 HA LYS A 22 0.995 -8.838 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.671 -10.831 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.349 -9.647 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.590 -10.428 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.428 -11.046 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.028 -8.732 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.221 -8.136 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.202 -8.310 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.990 -9.433 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.504 -10.373 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.730 -11.218 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.841 -10.157 7.230 1.00 0.00 H new ATOM 371 N ASP A 23 -2.119 -8.233 1.598 1.00 0.00 N ATOM 372 CA ASP A 23 -3.451 -8.428 1.060 1.00 0.00 C ATOM 373 C ASP A 23 -3.470 -8.142 -0.439 1.00 0.00 C ATOM 374 O ASP A 23 -3.959 -8.902 -1.255 1.00 0.00 O ATOM 375 CB ASP A 23 -4.448 -7.520 1.794 1.00 0.00 C ATOM 376 CG ASP A 23 -4.783 -8.004 3.216 1.00 0.00 C ATOM 377 OD1 ASP A 23 -4.751 -9.209 3.462 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.089 -7.164 4.059 1.00 0.00 O ATOM 0 H ASP A 23 -2.013 -7.451 2.244 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.743 -9.467 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.038 -6.512 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.368 -7.459 1.213 1.00 0.00 H new ATOM 383 N ALA A 24 -2.879 -7.000 -0.743 1.00 0.00 N ATOM 384 CA ALA A 24 -2.750 -6.535 -2.115 1.00 0.00 C ATOM 385 C ALA A 24 -2.010 -7.557 -2.996 1.00 0.00 C ATOM 386 O ALA A 24 -2.310 -7.729 -4.170 1.00 0.00 O ATOM 387 CB ALA A 24 -1.983 -5.245 -1.967 1.00 0.00 C ATOM 0 H ALA A 24 -2.476 -6.370 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.709 -6.398 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.826 -4.800 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.550 -4.554 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.018 -5.447 -1.501 1.00 0.00 H new ATOM 393 N GLU A 25 -1.057 -8.237 -2.332 1.00 0.00 N ATOM 394 CA GLU A 25 -0.264 -9.263 -2.981 1.00 0.00 C ATOM 395 C GLU A 25 -1.139 -10.506 -3.242 1.00 0.00 C ATOM 396 O GLU A 25 -0.998 -11.156 -4.267 1.00 0.00 O ATOM 397 CB GLU A 25 0.933 -9.634 -2.093 1.00 0.00 C ATOM 398 CG GLU A 25 1.971 -8.507 -1.973 1.00 0.00 C ATOM 399 CD GLU A 25 3.105 -8.925 -1.021 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.902 -9.782 -1.402 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.182 -8.393 0.088 1.00 0.00 O ATOM 0 H GLU A 25 -0.828 -8.085 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 25 0.108 -8.885 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.572 -9.894 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.416 -10.523 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.380 -8.274 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.492 -7.600 -1.603 1.00 0.00 H new ATOM 408 N ARG A 26 -2.070 -10.771 -2.284 1.00 0.00 N ATOM 409 CA ARG A 26 -2.962 -11.935 -2.371 1.00 0.00 C ATOM 410 C ARG A 26 -3.785 -11.881 -3.674 1.00 0.00 C ATOM 411 O ARG A 26 -4.047 -12.882 -4.330 1.00 0.00 O ATOM 412 CB ARG A 26 -3.911 -12.038 -1.134 1.00 0.00 C ATOM 413 CG ARG A 26 -5.305 -11.343 -1.186 1.00 0.00 C ATOM 414 CD ARG A 26 -5.845 -10.770 0.138 1.00 0.00 C ATOM 415 NE ARG A 26 -7.290 -10.580 0.084 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.177 -11.584 0.218 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.784 -12.847 0.324 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.471 -11.305 0.252 1.00 0.00 N ATOM 0 H ARG A 26 -2.212 -10.194 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.336 -12.827 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.079 -13.097 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.375 -11.635 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.253 -10.531 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.030 -12.063 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.595 -11.444 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.359 -9.818 0.350 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.648 -9.636 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.790 -13.075 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.476 -13.590 0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.786 -10.338 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.152 -12.057 0.353 1.00 0.00 H new ATOM 432 N GLN A 27 -4.135 -10.616 -3.990 1.00 0.00 N ATOM 433 CA GLN A 27 -4.949 -10.317 -5.160 1.00 0.00 C ATOM 434 C GLN A 27 -4.166 -10.434 -6.475 1.00 0.00 C ATOM 435 O GLN A 27 -4.662 -10.985 -7.449 1.00 0.00 O ATOM 436 CB GLN A 27 -5.579 -8.924 -5.016 1.00 0.00 C ATOM 437 CG GLN A 27 -6.336 -8.757 -3.692 1.00 0.00 C ATOM 438 CD GLN A 27 -7.203 -7.501 -3.712 1.00 0.00 C ATOM 439 OE1 GLN A 27 -6.829 -6.475 -4.262 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.391 -7.656 -3.100 1.00 0.00 N ATOM 0 H GLN A 27 -3.862 -9.797 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.739 -11.067 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.798 -8.167 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.263 -8.750 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.961 -9.632 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.625 -8.700 -2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.627 -8.547 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.055 -6.882 -3.072 1.00 0.00 H new ATOM 449 N LEU A 28 -2.920 -9.907 -6.458 1.00 0.00 N ATOM 450 CA LEU A 28 -2.121 -9.966 -7.682 1.00 0.00 C ATOM 451 C LEU A 28 -1.707 -11.405 -8.021 1.00 0.00 C ATOM 452 O LEU A 28 -1.601 -11.766 -9.183 1.00 0.00 O ATOM 453 CB LEU A 28 -0.929 -9.008 -7.588 1.00 0.00 C ATOM 454 CG LEU A 28 -1.418 -7.579 -7.406 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.230 -6.702 -7.041 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.102 -7.109 -8.692 1.00 0.00 C ATOM 0 H LEU A 28 -2.474 -9.462 -5.655 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.738 -9.632 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.290 -9.291 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.322 -9.081 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.151 -7.517 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.565 -5.673 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.217 -7.062 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.510 -6.741 -7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.453 -6.085 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.391 -7.148 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.949 -7.759 -8.912 1.00 0.00 H new ATOM 468 N LEU A 29 -1.510 -12.193 -6.940 1.00 0.00 N ATOM 469 CA LEU A 29 -1.125 -13.598 -7.035 1.00 0.00 C ATOM 470 C LEU A 29 -2.288 -14.460 -7.563 1.00 0.00 C ATOM 471 O LEU A 29 -2.091 -15.614 -7.918 1.00 0.00 O ATOM 472 CB LEU A 29 -0.626 -14.067 -5.665 1.00 0.00 C ATOM 473 CG LEU A 29 0.718 -13.423 -5.271 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.893 -13.470 -3.751 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.895 -14.144 -5.950 1.00 0.00 C ATOM 0 H LEU A 29 -1.616 -11.861 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.315 -13.711 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.374 -13.829 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.516 -15.151 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 29 0.709 -12.386 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.845 -13.013 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.079 -12.924 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.880 -14.507 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.831 -13.670 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.906 -15.190 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.783 -14.084 -7.033 1.00 0.00 H new ATOM 487 N ALA A 30 -3.497 -13.852 -7.597 1.00 0.00 N ATOM 488 CA ALA A 30 -4.656 -14.562 -8.123 1.00 0.00 C ATOM 489 C ALA A 30 -4.491 -14.700 -9.653 1.00 0.00 C ATOM 490 O ALA A 30 -3.976 -13.805 -10.311 1.00 0.00 O ATOM 491 CB ALA A 30 -5.934 -13.770 -7.822 1.00 0.00 C ATOM 0 H ALA A 30 -3.680 -12.902 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.730 -15.545 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.796 -14.306 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.044 -13.652 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.872 -12.787 -8.290 1.00 0.00 H new ATOM 497 N PRO A 31 -4.965 -15.853 -10.203 1.00 0.00 N ATOM 498 CA PRO A 31 -4.879 -16.130 -11.639 1.00 0.00 C ATOM 499 C PRO A 31 -5.791 -15.262 -12.531 1.00 0.00 C ATOM 500 O PRO A 31 -5.854 -15.442 -13.741 1.00 0.00 O ATOM 501 CB PRO A 31 -5.255 -17.616 -11.748 1.00 0.00 C ATOM 502 CG PRO A 31 -6.105 -17.883 -10.508 1.00 0.00 C ATOM 503 CD PRO A 31 -5.549 -16.952 -9.445 1.00 0.00 C ATOM 0 HA PRO A 31 -3.882 -15.890 -12.008 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.812 -17.819 -12.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.369 -18.250 -11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.158 -17.679 -10.700 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.033 -18.925 -10.197 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.333 -16.601 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.802 -17.452 -8.829 1.00 0.00 H new ATOM 511 N MET A 32 -6.495 -14.321 -11.866 1.00 0.00 N ATOM 512 CA MET A 32 -7.398 -13.397 -12.515 1.00 0.00 C ATOM 513 C MET A 32 -6.654 -12.420 -13.449 1.00 0.00 C ATOM 514 O MET A 32 -7.098 -12.122 -14.551 1.00 0.00 O ATOM 515 CB MET A 32 -8.106 -12.652 -11.383 1.00 0.00 C ATOM 516 CG MET A 32 -9.352 -13.382 -10.884 1.00 0.00 C ATOM 517 SD MET A 32 -8.958 -14.796 -9.840 1.00 0.00 S ATOM 518 CE MET A 32 -9.493 -14.111 -8.262 1.00 0.00 C ATOM 0 H MET A 32 -6.439 -14.195 -10.855 1.00 0.00 H new ATOM 0 HA MET A 32 -8.104 -13.925 -13.156 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.412 -12.517 -10.553 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.387 -11.657 -11.729 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.977 -12.685 -10.325 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.938 -13.719 -11.739 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.329 -14.845 -7.473 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.920 -13.210 -8.044 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.553 -13.864 -8.313 1.00 0.00 H new ATOM 528 N ASN A 33 -5.503 -11.954 -12.919 1.00 0.00 N ATOM 529 CA ASN A 33 -4.635 -11.017 -13.638 1.00 0.00 C ATOM 530 C ASN A 33 -3.166 -11.475 -13.526 1.00 0.00 C ATOM 531 O ASN A 33 -2.804 -12.281 -12.676 1.00 0.00 O ATOM 532 CB ASN A 33 -4.784 -9.573 -13.117 1.00 0.00 C ATOM 533 CG ASN A 33 -6.232 -9.050 -13.095 1.00 0.00 C ATOM 534 OD1 ASN A 33 -7.085 -9.530 -12.361 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.438 -8.006 -13.913 1.00 0.00 N ATOM 0 H ASN A 33 -5.159 -12.216 -11.995 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.941 -11.017 -14.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.376 -9.520 -12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.181 -8.911 -13.739 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.355 -7.560 -13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.678 -7.659 -14.498 1.00 0.00 H new ATOM 542 N LYS A 34 -2.361 -10.905 -14.448 1.00 0.00 N ATOM 543 CA LYS A 34 -0.929 -11.200 -14.541 1.00 0.00 C ATOM 544 C LYS A 34 -0.115 -9.898 -14.540 1.00 0.00 C ATOM 545 O LYS A 34 -0.682 -8.812 -14.576 1.00 0.00 O ATOM 546 CB LYS A 34 -0.674 -12.042 -15.797 1.00 0.00 C ATOM 547 CG LYS A 34 -1.124 -11.394 -17.117 1.00 0.00 C ATOM 548 CD LYS A 34 -0.154 -10.328 -17.645 1.00 0.00 C ATOM 549 CE LYS A 34 -0.468 -9.899 -19.077 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.721 -9.157 -19.154 1.00 0.00 N ATOM 0 H LYS A 34 -2.690 -10.233 -15.141 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.606 -11.775 -13.673 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.392 -12.258 -15.861 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.187 -12.998 -15.686 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.241 -12.172 -17.872 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.105 -10.940 -16.973 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.190 -9.455 -16.993 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.864 -10.716 -17.602 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.345 -9.281 -19.459 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.526 -10.780 -19.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.749 -8.615 -20.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.520 -9.822 -19.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.788 -8.505 -18.347 1.00 0.00 H new ATOM 564 N ALA A 35 1.232 -10.083 -14.514 1.00 0.00 N ATOM 565 CA ALA A 35 2.249 -9.032 -14.530 1.00 0.00 C ATOM 566 C ALA A 35 1.760 -7.754 -15.224 1.00 0.00 C ATOM 567 O ALA A 35 1.524 -7.724 -16.423 1.00 0.00 O ATOM 568 CB ALA A 35 3.500 -9.557 -15.232 1.00 0.00 C ATOM 0 H ALA A 35 1.642 -11.016 -14.480 1.00 0.00 H new ATOM 0 HA ALA A 35 2.473 -8.769 -13.496 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.262 -8.778 -15.247 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.880 -10.427 -14.696 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.251 -9.841 -16.254 1.00 0.00 H new ATOM 574 N GLY A 36 1.616 -6.722 -14.369 1.00 0.00 N ATOM 575 CA GLY A 36 1.125 -5.425 -14.794 1.00 0.00 C ATOM 576 C GLY A 36 -0.062 -4.995 -13.929 1.00 0.00 C ATOM 577 O GLY A 36 -0.317 -3.816 -13.717 1.00 0.00 O ATOM 0 H GLY A 36 1.839 -6.777 -13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.923 -4.686 -14.722 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.824 -5.468 -15.841 1.00 0.00 H new ATOM 581 N SER A 37 -0.780 -6.026 -13.440 1.00 0.00 N ATOM 582 CA SER A 37 -1.845 -5.780 -12.476 1.00 0.00 C ATOM 583 C SER A 37 -1.090 -5.333 -11.208 1.00 0.00 C ATOM 584 O SER A 37 -0.191 -6.022 -10.728 1.00 0.00 O ATOM 585 CB SER A 37 -2.657 -7.077 -12.168 1.00 0.00 C ATOM 586 OG SER A 37 -1.967 -8.389 -12.196 1.00 0.00 O ATOM 0 H SER A 37 -0.641 -7.004 -13.693 1.00 0.00 H new ATOM 0 HA SER A 37 -2.565 -5.050 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.098 -6.960 -11.178 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.481 -7.125 -12.880 1.00 0.00 H new ATOM 0 HG SER A 37 -1.644 -8.569 -13.103 1.00 0.00 H new ATOM 592 N PHE A 38 -1.478 -4.128 -10.740 1.00 0.00 N ATOM 593 CA PHE A 38 -0.839 -3.546 -9.566 1.00 0.00 C ATOM 594 C PHE A 38 -1.935 -3.188 -8.518 1.00 0.00 C ATOM 595 O PHE A 38 -3.135 -3.305 -8.744 1.00 0.00 O ATOM 596 CB PHE A 38 -0.154 -2.204 -9.966 1.00 0.00 C ATOM 597 CG PHE A 38 1.168 -2.187 -10.707 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.610 -3.171 -11.580 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.998 -1.087 -10.521 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.821 -3.022 -12.257 1.00 0.00 C ATOM 601 CE2 PHE A 38 3.229 -0.956 -11.139 1.00 0.00 C ATOM 602 CZ PHE A 38 3.640 -1.928 -12.032 1.00 0.00 C ATOM 0 H PHE A 38 -2.216 -3.558 -11.154 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.117 -4.257 -9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.868 -1.652 -10.577 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.012 -1.634 -9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.013 -4.057 -11.736 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.666 -0.298 -9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.125 -3.774 -12.970 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.860 -0.106 -10.927 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.585 -1.836 -12.546 1.00 0.00 H new ATOM 612 N LEU A 39 -1.367 -2.719 -7.379 1.00 0.00 N ATOM 613 CA LEU A 39 -1.993 -2.267 -6.135 1.00 0.00 C ATOM 614 C LEU A 39 -1.163 -1.118 -5.502 1.00 0.00 C ATOM 615 O LEU A 39 -0.060 -1.404 -5.075 1.00 0.00 O ATOM 616 CB LEU A 39 -1.893 -3.428 -5.123 1.00 0.00 C ATOM 617 CG LEU A 39 -3.007 -4.451 -5.017 1.00 0.00 C ATOM 618 CD1 LEU A 39 -4.005 -3.822 -4.077 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.718 -4.927 -6.247 1.00 0.00 C ATOM 0 H LEU A 39 -0.352 -2.645 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.013 -1.948 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.976 -3.973 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.768 -2.985 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.527 -5.376 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.851 -4.496 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.530 -3.636 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.356 -2.879 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.480 -5.655 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.190 -4.080 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.002 -5.393 -6.924 1.00 0.00 H new ATOM 631 N ILE A 40 -1.718 0.130 -5.352 1.00 0.00 N ATOM 632 CA ILE A 40 -0.921 1.211 -4.737 1.00 0.00 C ATOM 633 C ILE A 40 -1.616 1.512 -3.325 1.00 0.00 C ATOM 634 O ILE A 40 -2.697 2.085 -3.261 1.00 0.00 O ATOM 635 CB ILE A 40 -0.905 2.379 -5.775 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.385 3.208 -5.765 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.956 3.435 -5.461 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.735 3.622 -7.214 1.00 0.00 C ATOM 0 H ILE A 40 -2.663 0.389 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 40 0.124 0.990 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.056 1.855 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.258 4.093 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.201 2.628 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.909 4.228 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.946 2.979 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.766 3.855 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.652 4.212 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.879 2.729 -7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.079 4.217 -7.629 1.00 0.00 H new ATOM 650 N ARG A 41 -0.990 1.047 -2.209 1.00 0.00 N ATOM 651 CA ARG A 41 -1.446 1.165 -0.801 1.00 0.00 C ATOM 652 C ARG A 41 -0.728 2.186 0.047 1.00 0.00 C ATOM 653 O ARG A 41 0.473 2.114 0.251 1.00 0.00 O ATOM 654 CB ARG A 41 -1.518 -0.158 -0.019 1.00 0.00 C ATOM 655 CG ARG A 41 -0.551 -1.228 -0.482 1.00 0.00 C ATOM 656 CD ARG A 41 -1.447 -2.146 -1.310 1.00 0.00 C ATOM 657 NE ARG A 41 -2.076 -1.478 -2.446 1.00 0.00 N ATOM 658 CZ ARG A 41 -3.347 -1.008 -2.518 1.00 0.00 C ATOM 659 NH1 ARG A 41 -4.158 -0.978 -1.482 1.00 0.00 N ATOM 660 NH2 ARG A 41 -3.819 -0.561 -3.664 1.00 0.00 N ATOM 0 H ARG A 41 -0.101 0.551 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.460 1.527 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.330 0.049 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.532 -0.550 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.262 -0.811 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.096 -1.754 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.855 -2.985 -1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.224 -2.559 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.497 -1.351 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.839 -1.318 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.105 -0.615 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.229 -0.568 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.774 -0.208 -3.719 1.00 0.00 H new ATOM 674 N GLU A 42 -1.585 3.070 0.595 1.00 0.00 N ATOM 675 CA GLU A 42 -1.098 4.098 1.485 1.00 0.00 C ATOM 676 C GLU A 42 -0.652 3.467 2.799 1.00 0.00 C ATOM 677 O GLU A 42 -1.250 2.532 3.313 1.00 0.00 O ATOM 678 CB GLU A 42 -2.065 5.295 1.653 1.00 0.00 C ATOM 679 CG GLU A 42 -3.115 5.250 2.767 1.00 0.00 C ATOM 680 CD GLU A 42 -3.652 6.647 3.104 1.00 0.00 C ATOM 681 OE1 GLU A 42 -4.538 7.117 2.390 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.187 7.242 4.074 1.00 0.00 O ATOM 0 H GLU A 42 -2.592 3.080 0.432 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.225 4.558 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.460 6.188 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.593 5.427 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.941 4.608 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.678 4.804 3.660 1.00 0.00 H new ATOM 689 N SER A 43 0.480 4.006 3.268 1.00 0.00 N ATOM 690 CA SER A 43 1.014 3.584 4.552 1.00 0.00 C ATOM 691 C SER A 43 0.241 4.448 5.548 1.00 0.00 C ATOM 692 O SER A 43 0.817 5.384 6.059 1.00 0.00 O ATOM 693 CB SER A 43 2.511 4.020 4.589 1.00 0.00 C ATOM 694 OG SER A 43 3.316 3.816 5.823 1.00 0.00 O ATOM 0 H SER A 43 1.027 4.718 2.785 1.00 0.00 H new ATOM 0 HA SER A 43 0.932 2.515 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.021 3.497 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.545 5.084 4.352 1.00 0.00 H new ATOM 0 HG SER A 43 2.784 4.069 6.606 1.00 0.00 H new ATOM 700 N GLU A 44 -1.039 4.070 5.805 1.00 0.00 N ATOM 701 CA GLU A 44 -2.080 4.763 6.589 1.00 0.00 C ATOM 702 C GLU A 44 -1.581 5.858 7.591 1.00 0.00 C ATOM 703 O GLU A 44 -2.175 6.921 7.709 1.00 0.00 O ATOM 704 CB GLU A 44 -3.016 3.745 7.276 1.00 0.00 C ATOM 705 CG GLU A 44 -2.349 2.469 7.828 1.00 0.00 C ATOM 706 CD GLU A 44 -1.512 2.730 9.089 1.00 0.00 C ATOM 707 OE1 GLU A 44 -2.083 3.104 10.115 1.00 0.00 O ATOM 708 OE2 GLU A 44 -0.296 2.554 9.029 1.00 0.00 O ATOM 0 H GLU A 44 -1.395 3.190 5.431 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.638 5.337 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.525 4.248 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.783 3.448 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.119 1.732 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.711 2.036 7.058 1.00 0.00 H new ATOM 715 N SER A 45 -0.470 5.543 8.268 1.00 0.00 N ATOM 716 CA SER A 45 0.283 6.322 9.248 1.00 0.00 C ATOM 717 C SER A 45 1.169 7.437 8.610 1.00 0.00 C ATOM 718 O SER A 45 1.985 8.048 9.289 1.00 0.00 O ATOM 719 CB SER A 45 1.305 5.242 9.717 1.00 0.00 C ATOM 720 OG SER A 45 2.020 4.495 8.641 1.00 0.00 O ATOM 0 H SER A 45 -0.032 4.634 8.123 1.00 0.00 H new ATOM 0 HA SER A 45 -0.376 6.798 9.974 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.049 5.727 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.778 4.521 10.342 1.00 0.00 H new ATOM 0 HG SER A 45 1.575 3.635 8.488 1.00 0.00 H new ATOM 726 N ASN A 46 0.978 7.665 7.296 1.00 0.00 N ATOM 727 CA ASN A 46 1.785 8.584 6.496 1.00 0.00 C ATOM 728 C ASN A 46 1.130 9.923 6.128 1.00 0.00 C ATOM 729 O ASN A 46 -0.005 10.236 6.463 1.00 0.00 O ATOM 730 CB ASN A 46 2.112 7.841 5.188 1.00 0.00 C ATOM 731 CG ASN A 46 0.897 7.456 4.303 1.00 0.00 C ATOM 732 OD1 ASN A 46 1.070 6.751 3.330 1.00 0.00 O ATOM 733 ND2 ASN A 46 -0.323 7.894 4.650 1.00 0.00 N ATOM 0 H ASN A 46 0.244 7.204 6.759 1.00 0.00 H new ATOM 0 HA ASN A 46 2.647 8.853 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.784 8.464 4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.658 6.931 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.136 7.636 4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.438 8.485 5.473 1.00 0.00 H new ATOM 740 N LYS A 47 1.997 10.670 5.402 1.00 0.00 N ATOM 741 CA LYS A 47 1.730 11.971 4.819 1.00 0.00 C ATOM 742 C LYS A 47 1.417 11.941 3.316 1.00 0.00 C ATOM 743 O LYS A 47 1.754 12.867 2.591 1.00 0.00 O ATOM 744 CB LYS A 47 2.797 12.991 5.212 1.00 0.00 C ATOM 745 CG LYS A 47 4.198 12.410 5.062 1.00 0.00 C ATOM 746 CD LYS A 47 4.750 11.910 6.400 1.00 0.00 C ATOM 747 CE LYS A 47 5.289 13.046 7.280 1.00 0.00 C ATOM 748 NZ LYS A 47 5.793 12.568 8.565 1.00 0.00 N ATOM 0 H LYS A 47 2.945 10.348 5.208 1.00 0.00 H new ATOM 0 HA LYS A 47 0.794 12.314 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.701 13.880 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.640 13.306 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.176 11.587 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.865 13.169 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.963 11.381 6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.548 11.191 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.088 13.564 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.497 13.775 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.145 13.373 9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.026 12.097 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.568 11.893 8.405 1.00 0.00 H new ATOM 762 N GLY A 48 0.749 10.849 2.903 1.00 0.00 N ATOM 763 CA GLY A 48 0.397 10.666 1.501 1.00 0.00 C ATOM 764 C GLY A 48 1.308 9.646 0.817 1.00 0.00 C ATOM 765 O GLY A 48 1.413 9.606 -0.399 1.00 0.00 O ATOM 0 H GLY A 48 0.449 10.093 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.639 10.336 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.466 11.621 0.981 1.00 0.00 H new ATOM 769 N ALA A 49 1.949 8.810 1.662 1.00 0.00 N ATOM 770 CA ALA A 49 2.836 7.780 1.093 1.00 0.00 C ATOM 771 C ALA A 49 2.005 6.581 0.570 1.00 0.00 C ATOM 772 O ALA A 49 0.813 6.485 0.822 1.00 0.00 O ATOM 773 CB ALA A 49 3.834 7.284 2.159 1.00 0.00 C ATOM 0 H ALA A 49 1.876 8.824 2.679 1.00 0.00 H new ATOM 0 HA ALA A 49 3.386 8.224 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.483 6.524 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.439 8.121 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.287 6.857 2.999 1.00 0.00 H new ATOM 779 N PHE A 50 2.698 5.710 -0.195 1.00 0.00 N ATOM 780 CA PHE A 50 2.090 4.510 -0.786 1.00 0.00 C ATOM 781 C PHE A 50 3.134 3.363 -0.831 1.00 0.00 C ATOM 782 O PHE A 50 4.271 3.509 -0.401 1.00 0.00 O ATOM 783 CB PHE A 50 1.399 4.776 -2.157 1.00 0.00 C ATOM 784 CG PHE A 50 0.147 5.607 -2.050 1.00 0.00 C ATOM 785 CD1 PHE A 50 0.214 6.996 -2.018 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.099 4.997 -1.980 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.940 7.759 -1.891 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.255 5.753 -1.860 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.175 7.137 -1.808 1.00 0.00 C ATOM 0 H PHE A 50 3.687 5.822 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 50 1.271 4.194 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.104 5.280 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.153 3.821 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.173 7.486 -2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.168 3.920 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.874 8.836 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.217 5.265 -1.807 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.073 7.728 -1.703 1.00 0.00 H new ATOM 799 N SER A 51 2.654 2.226 -1.387 1.00 0.00 N ATOM 800 CA SER A 51 3.410 0.988 -1.593 1.00 0.00 C ATOM 801 C SER A 51 2.846 0.393 -2.894 1.00 0.00 C ATOM 802 O SER A 51 1.650 0.510 -3.087 1.00 0.00 O ATOM 803 CB SER A 51 3.098 -0.043 -0.467 1.00 0.00 C ATOM 804 OG SER A 51 2.726 0.451 0.880 1.00 0.00 O ATOM 0 H SER A 51 1.691 2.153 -1.714 1.00 0.00 H new ATOM 0 HA SER A 51 4.481 1.189 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.286 -0.679 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.975 -0.680 -0.353 1.00 0.00 H new ATOM 0 HG SER A 51 1.942 1.034 0.809 1.00 0.00 H new ATOM 810 N LEU A 52 3.670 -0.245 -3.751 1.00 0.00 N ATOM 811 CA LEU A 52 3.097 -0.765 -5.003 1.00 0.00 C ATOM 812 C LEU A 52 3.587 -2.197 -5.280 1.00 0.00 C ATOM 813 O LEU A 52 4.762 -2.474 -5.486 1.00 0.00 O ATOM 814 CB LEU A 52 3.563 0.233 -6.092 1.00 0.00 C ATOM 815 CG LEU A 52 2.914 0.142 -7.487 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.391 0.060 -7.378 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.313 1.355 -8.354 1.00 0.00 C ATOM 0 H LEU A 52 4.668 -0.404 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 52 2.010 -0.837 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.398 1.241 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.639 0.112 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 52 3.278 -0.768 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.958 -0.003 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.114 -0.825 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.014 0.950 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.844 1.271 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.980 2.273 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.397 1.378 -8.471 1.00 0.00 H new ATOM 829 N SER A 53 2.557 -3.063 -5.251 1.00 0.00 N ATOM 830 CA SER A 53 2.667 -4.491 -5.463 1.00 0.00 C ATOM 831 C SER A 53 2.407 -4.757 -6.957 1.00 0.00 C ATOM 832 O SER A 53 1.478 -4.204 -7.527 1.00 0.00 O ATOM 833 CB SER A 53 1.619 -5.114 -4.482 1.00 0.00 C ATOM 834 OG SER A 53 1.386 -4.478 -3.159 1.00 0.00 O ATOM 0 H SER A 53 1.599 -2.762 -5.072 1.00 0.00 H new ATOM 0 HA SER A 53 3.641 -4.933 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.662 -5.144 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.916 -6.147 -4.300 1.00 0.00 H new ATOM 0 HG SER A 53 0.829 -5.066 -2.607 1.00 0.00 H new ATOM 840 N VAL A 54 3.291 -5.594 -7.559 1.00 0.00 N ATOM 841 CA VAL A 54 3.170 -5.946 -8.991 1.00 0.00 C ATOM 842 C VAL A 54 3.485 -7.415 -9.135 1.00 0.00 C ATOM 843 O VAL A 54 4.384 -7.904 -8.480 1.00 0.00 O ATOM 844 CB VAL A 54 4.159 -5.205 -9.894 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.995 -5.553 -11.391 1.00 0.00 C ATOM 846 CG2 VAL A 54 4.084 -3.741 -9.551 1.00 0.00 C ATOM 0 H VAL A 54 4.081 -6.029 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 54 2.159 -5.675 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 54 5.179 -5.539 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.725 -4.995 -11.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.154 -6.622 -11.536 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.989 -5.289 -11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.779 -3.184 -10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.070 -3.379 -9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.348 -3.599 -8.503 1.00 0.00 H new ATOM 856 N LYS A 55 2.788 -8.090 -10.059 1.00 0.00 N ATOM 857 CA LYS A 55 3.021 -9.523 -10.184 1.00 0.00 C ATOM 858 C LYS A 55 4.302 -9.865 -10.981 1.00 0.00 C ATOM 859 O LYS A 55 4.294 -9.796 -12.204 1.00 0.00 O ATOM 860 CB LYS A 55 1.762 -9.973 -10.928 1.00 0.00 C ATOM 861 CG LYS A 55 1.745 -11.336 -11.614 1.00 0.00 C ATOM 862 CD LYS A 55 2.189 -12.517 -10.765 1.00 0.00 C ATOM 863 CE LYS A 55 1.271 -12.820 -9.587 1.00 0.00 C ATOM 864 NZ LYS A 55 1.350 -11.838 -8.513 1.00 0.00 N ATOM 0 H LYS A 55 2.098 -7.691 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 55 3.183 -10.014 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.937 -9.955 -10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.544 -9.222 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.732 -11.529 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.386 -11.285 -12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.253 -13.402 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.193 -12.322 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.242 -12.873 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.520 -13.803 -9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.954 -12.244 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.344 -11.578 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.808 -10.990 -8.777 1.00 0.00 H new ATOM 878 N ASP A 56 5.402 -10.232 -10.248 1.00 0.00 N ATOM 879 CA ASP A 56 6.579 -10.638 -11.039 1.00 0.00 C ATOM 880 C ASP A 56 6.426 -12.125 -11.386 1.00 0.00 C ATOM 881 O ASP A 56 6.161 -12.958 -10.528 1.00 0.00 O ATOM 882 CB ASP A 56 7.942 -10.379 -10.369 1.00 0.00 C ATOM 883 CG ASP A 56 9.013 -9.908 -11.381 1.00 0.00 C ATOM 884 OD1 ASP A 56 8.723 -9.026 -12.190 1.00 0.00 O ATOM 885 OD2 ASP A 56 10.138 -10.410 -11.337 1.00 0.00 O ATOM 0 H ASP A 56 5.488 -10.253 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 56 6.594 -10.010 -11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.824 -9.625 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.283 -11.291 -9.880 1.00 0.00 H new ATOM 890 N ILE A 57 6.592 -12.394 -12.692 1.00 0.00 N ATOM 891 CA ILE A 57 6.476 -13.757 -13.202 1.00 0.00 C ATOM 892 C ILE A 57 7.846 -14.210 -13.717 1.00 0.00 C ATOM 893 O ILE A 57 8.164 -14.203 -14.899 1.00 0.00 O ATOM 894 CB ILE A 57 5.327 -13.831 -14.221 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.046 -13.248 -13.586 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.113 -15.277 -14.693 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.748 -13.574 -14.316 1.00 0.00 C ATOM 0 H ILE A 57 6.804 -11.691 -13.400 1.00 0.00 H new ATOM 0 HA ILE A 57 6.204 -14.467 -12.421 1.00 0.00 H new ATOM 0 HB ILE A 57 5.581 -13.239 -15.101 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.969 -13.614 -12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.149 -12.164 -13.530 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.296 -15.307 -15.413 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.025 -15.645 -15.163 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.866 -15.906 -13.838 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.910 -13.118 -13.789 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.794 -13.183 -15.332 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.611 -14.655 -14.349 1.00 0.00 H new ATOM 909 N THR A 58 8.612 -14.587 -12.679 1.00 0.00 N ATOM 910 CA THR A 58 9.984 -15.064 -12.773 1.00 0.00 C ATOM 911 C THR A 58 10.011 -16.600 -12.773 1.00 0.00 C ATOM 912 O THR A 58 9.010 -17.263 -12.531 1.00 0.00 O ATOM 913 CB THR A 58 10.806 -14.499 -11.569 1.00 0.00 C ATOM 914 OG1 THR A 58 12.100 -15.117 -11.287 1.00 0.00 O ATOM 915 CG2 THR A 58 9.925 -14.290 -10.297 1.00 0.00 C ATOM 0 H THR A 58 8.270 -14.563 -11.718 1.00 0.00 H new ATOM 0 HA THR A 58 10.430 -14.717 -13.705 1.00 0.00 H new ATOM 0 HB THR A 58 11.115 -13.517 -11.928 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.513 -14.675 -10.516 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.541 -13.896 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.125 -13.584 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.493 -15.243 -9.993 1.00 0.00 H new ATOM 923 N THR A 59 11.230 -17.119 -13.058 1.00 0.00 N ATOM 924 CA THR A 59 11.422 -18.567 -13.097 1.00 0.00 C ATOM 925 C THR A 59 11.427 -19.194 -11.694 1.00 0.00 C ATOM 926 O THR A 59 11.405 -20.413 -11.580 1.00 0.00 O ATOM 927 CB THR A 59 12.718 -19.020 -13.845 1.00 0.00 C ATOM 928 OG1 THR A 59 13.083 -20.438 -13.728 1.00 0.00 O ATOM 929 CG2 THR A 59 13.931 -18.070 -13.607 1.00 0.00 C ATOM 0 H THR A 59 12.064 -16.567 -13.257 1.00 0.00 H new ATOM 0 HA THR A 59 10.562 -18.927 -13.663 1.00 0.00 H new ATOM 0 HB THR A 59 12.427 -18.923 -14.891 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.524 -20.865 -13.046 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.797 -18.442 -14.154 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.683 -17.068 -13.958 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.162 -18.035 -12.542 1.00 0.00 H new ATOM 937 N GLN A 60 11.456 -18.343 -10.639 1.00 0.00 N ATOM 938 CA GLN A 60 11.468 -18.899 -9.279 1.00 0.00 C ATOM 939 C GLN A 60 10.091 -18.738 -8.597 1.00 0.00 C ATOM 940 O GLN A 60 9.975 -18.299 -7.460 1.00 0.00 O ATOM 941 CB GLN A 60 12.625 -18.330 -8.447 1.00 0.00 C ATOM 942 CG GLN A 60 14.003 -18.651 -9.064 1.00 0.00 C ATOM 943 CD GLN A 60 15.099 -17.774 -8.442 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.322 -16.643 -8.849 1.00 0.00 O ATOM 945 NE2 GLN A 60 15.766 -18.366 -7.441 1.00 0.00 N ATOM 0 H GLN A 60 11.471 -17.325 -10.701 1.00 0.00 H new ATOM 0 HA GLN A 60 11.651 -19.971 -9.352 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.511 -17.249 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.578 -18.737 -7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.240 -19.703 -8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.970 -18.490 -10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.522 -19.315 -7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.517 -17.868 -6.964 1.00 0.00 H new ATOM 954 N GLY A 61 9.070 -19.143 -9.386 1.00 0.00 N ATOM 955 CA GLY A 61 7.680 -19.097 -8.944 1.00 0.00 C ATOM 956 C GLY A 61 7.051 -17.714 -9.131 1.00 0.00 C ATOM 957 O GLY A 61 7.740 -16.711 -9.264 1.00 0.00 O ATOM 0 H GLY A 61 9.195 -19.504 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.101 -19.834 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.627 -19.377 -7.892 1.00 0.00 H new ATOM 961 N GLU A 62 5.700 -17.726 -9.130 1.00 0.00 N ATOM 962 CA GLU A 62 4.944 -16.498 -9.294 1.00 0.00 C ATOM 963 C GLU A 62 4.925 -15.720 -7.956 1.00 0.00 C ATOM 964 O GLU A 62 4.524 -16.240 -6.921 1.00 0.00 O ATOM 965 CB GLU A 62 3.527 -16.867 -9.745 1.00 0.00 C ATOM 966 CG GLU A 62 2.993 -15.737 -10.607 1.00 0.00 C ATOM 967 CD GLU A 62 1.535 -15.929 -11.050 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.651 -15.942 -10.195 1.00 0.00 O ATOM 969 OE2 GLU A 62 1.304 -16.040 -12.253 1.00 0.00 O ATOM 0 H GLU A 62 5.132 -18.566 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 62 5.402 -15.855 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.538 -17.801 -10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.882 -17.023 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.074 -14.801 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.622 -15.640 -11.492 1.00 0.00 H new ATOM 976 N VAL A 63 5.390 -14.455 -8.054 1.00 0.00 N ATOM 977 CA VAL A 63 5.488 -13.571 -6.897 1.00 0.00 C ATOM 978 C VAL A 63 4.797 -12.248 -7.242 1.00 0.00 C ATOM 979 O VAL A 63 4.114 -12.113 -8.248 1.00 0.00 O ATOM 980 CB VAL A 63 6.993 -13.302 -6.629 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.767 -14.591 -6.329 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.669 -12.527 -7.784 1.00 0.00 C ATOM 0 H VAL A 63 5.701 -14.033 -8.929 1.00 0.00 H new ATOM 0 HA VAL A 63 5.020 -14.018 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 63 7.027 -12.672 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.815 -14.352 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.346 -15.071 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.691 -15.268 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.720 -12.365 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.590 -13.104 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.174 -11.565 -7.915 1.00 0.00 H new ATOM 992 N VAL A 64 5.037 -11.292 -6.321 1.00 0.00 N ATOM 993 CA VAL A 64 4.595 -9.914 -6.461 1.00 0.00 C ATOM 994 C VAL A 64 5.924 -9.117 -6.503 1.00 0.00 C ATOM 995 O VAL A 64 6.966 -9.666 -6.830 1.00 0.00 O ATOM 996 CB VAL A 64 3.538 -9.502 -5.395 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.869 -8.140 -5.617 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.355 -10.433 -5.458 1.00 0.00 C ATOM 0 H VAL A 64 5.548 -11.470 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 64 4.018 -9.712 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 64 4.114 -9.508 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.151 -7.953 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.628 -7.357 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.352 -8.141 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.620 -10.138 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.904 -10.382 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.684 -11.453 -5.261 1.00 0.00 H new ATOM 1008 N LYS A 65 5.817 -7.825 -6.203 1.00 0.00 N ATOM 1009 CA LYS A 65 6.920 -6.861 -6.127 1.00 0.00 C ATOM 1010 C LYS A 65 6.556 -5.803 -5.088 1.00 0.00 C ATOM 1011 O LYS A 65 5.464 -5.829 -4.547 1.00 0.00 O ATOM 1012 CB LYS A 65 7.188 -6.186 -7.487 1.00 0.00 C ATOM 1013 CG LYS A 65 8.013 -7.063 -8.424 1.00 0.00 C ATOM 1014 CD LYS A 65 9.454 -7.255 -7.917 1.00 0.00 C ATOM 1015 CE LYS A 65 10.345 -8.052 -8.866 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.422 -7.464 -10.196 1.00 0.00 N ATOM 0 H LYS A 65 4.915 -7.397 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 65 7.831 -7.389 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.237 -5.946 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.710 -5.243 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.532 -8.036 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.035 -6.612 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.903 -6.276 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.424 -7.761 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.348 -8.119 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.964 -9.070 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.012 -8.064 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.466 -7.392 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.843 -6.515 -10.132 1.00 0.00 H new ATOM 1030 N HIS A 66 7.523 -4.889 -4.834 1.00 0.00 N ATOM 1031 CA HIS A 66 7.311 -3.814 -3.876 1.00 0.00 C ATOM 1032 C HIS A 66 8.202 -2.615 -4.234 1.00 0.00 C ATOM 1033 O HIS A 66 9.419 -2.735 -4.309 1.00 0.00 O ATOM 1034 CB HIS A 66 7.754 -4.270 -2.475 1.00 0.00 C ATOM 1035 CG HIS A 66 6.789 -5.265 -1.889 1.00 0.00 C ATOM 1036 ND1 HIS A 66 7.111 -6.534 -1.570 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.442 -5.054 -1.579 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.987 -7.078 -1.075 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.963 -6.205 -1.069 1.00 0.00 N ATOM 0 H HIS A 66 8.440 -4.886 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 66 6.254 -3.549 -3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.747 -4.715 -2.533 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.831 -3.405 -1.817 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.888 -4.138 -1.722 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.914 -8.096 -0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 66 4.013 -6.380 -0.743 1.00 0.00 H new ATOM 1047 N TYR A 67 7.521 -1.465 -4.433 1.00 0.00 N ATOM 1048 CA TYR A 67 8.200 -0.208 -4.749 1.00 0.00 C ATOM 1049 C TYR A 67 7.666 0.843 -3.771 1.00 0.00 C ATOM 1050 O TYR A 67 6.460 0.999 -3.627 1.00 0.00 O ATOM 1051 CB TYR A 67 7.908 0.288 -6.181 1.00 0.00 C ATOM 1052 CG TYR A 67 7.834 -0.804 -7.212 1.00 0.00 C ATOM 1053 CD1 TYR A 67 8.783 -1.816 -7.293 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.776 -0.811 -8.102 1.00 0.00 C ATOM 1055 CE1 TYR A 67 8.671 -2.827 -8.240 1.00 0.00 C ATOM 1056 CE2 TYR A 67 6.654 -1.805 -9.053 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.597 -2.832 -9.134 1.00 0.00 C ATOM 1058 OH TYR A 67 7.452 -3.863 -10.057 1.00 0.00 O ATOM 0 H TYR A 67 6.505 -1.391 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 67 9.275 -0.367 -4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.964 0.834 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.684 0.995 -6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.620 -1.817 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.034 -0.028 -8.053 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.414 -3.609 -8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.821 -1.788 -9.741 1.00 0.00 H new ATOM 0 HH TYR A 67 7.776 -3.566 -10.933 1.00 0.00 H new ATOM 1068 N LYS A 68 8.613 1.536 -3.104 1.00 0.00 N ATOM 1069 CA LYS A 68 8.188 2.580 -2.175 1.00 0.00 C ATOM 1070 C LYS A 68 7.720 3.812 -2.959 1.00 0.00 C ATOM 1071 O LYS A 68 8.123 4.051 -4.085 1.00 0.00 O ATOM 1072 CB LYS A 68 9.250 2.912 -1.120 1.00 0.00 C ATOM 1073 CG LYS A 68 10.616 3.237 -1.702 1.00 0.00 C ATOM 1074 CD LYS A 68 10.671 4.643 -2.302 1.00 0.00 C ATOM 1075 CE LYS A 68 12.085 5.216 -2.368 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.802 4.743 -3.550 1.00 0.00 N ATOM 0 H LYS A 68 9.620 1.397 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 68 7.342 2.199 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.907 3.760 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.348 2.067 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.372 3.147 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.864 2.506 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.249 4.619 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.044 5.309 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.037 6.305 -2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.635 4.933 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.696 5.265 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.003 3.727 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.218 4.899 -4.396 1.00 0.00 H new ATOM 1090 N ILE A 69 6.832 4.549 -2.282 1.00 0.00 N ATOM 1091 CA ILE A 69 6.204 5.780 -2.744 1.00 0.00 C ATOM 1092 C ILE A 69 5.998 6.782 -1.624 1.00 0.00 C ATOM 1093 O ILE A 69 5.482 6.501 -0.555 1.00 0.00 O ATOM 1094 CB ILE A 69 5.163 5.715 -3.875 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.429 4.374 -3.918 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.533 6.403 -5.194 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.485 4.246 -5.094 1.00 0.00 C ATOM 0 H ILE A 69 6.519 4.284 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 69 6.964 6.231 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 69 4.372 6.412 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.161 3.568 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.866 4.246 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.717 6.285 -5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.708 7.464 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.438 5.950 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.997 3.272 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.731 5.031 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.046 4.343 -6.023 1.00 0.00 H new ATOM 1109 N ARG A 70 6.503 7.970 -1.986 1.00 0.00 N ATOM 1110 CA ARG A 70 6.442 9.143 -1.155 1.00 0.00 C ATOM 1111 C ARG A 70 5.651 10.153 -1.944 1.00 0.00 C ATOM 1112 O ARG A 70 5.498 10.065 -3.154 1.00 0.00 O ATOM 1113 CB ARG A 70 7.835 9.699 -0.850 1.00 0.00 C ATOM 1114 CG ARG A 70 8.594 8.828 0.154 1.00 0.00 C ATOM 1115 CD ARG A 70 9.380 7.755 -0.575 1.00 0.00 C ATOM 1116 NE ARG A 70 10.014 6.835 0.359 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.162 7.108 1.009 1.00 0.00 C ATOM 1118 NH1 ARG A 70 11.819 8.241 0.804 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.640 6.223 1.874 1.00 0.00 N ATOM 0 H ARG A 70 6.968 8.127 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 70 5.986 8.910 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.408 9.769 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.743 10.711 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.270 9.446 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.893 8.367 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.715 7.202 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.140 8.221 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 70 9.565 5.935 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.457 8.928 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.686 8.426 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.139 5.350 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.508 6.416 2.374 1.00 0.00 H new ATOM 1133 N SER A 71 5.172 11.095 -1.140 1.00 0.00 N ATOM 1134 CA SER A 71 4.363 12.196 -1.616 1.00 0.00 C ATOM 1135 C SER A 71 5.119 13.486 -1.319 1.00 0.00 C ATOM 1136 O SER A 71 5.346 13.840 -0.168 1.00 0.00 O ATOM 1137 CB SER A 71 3.050 12.151 -0.811 1.00 0.00 C ATOM 1138 OG SER A 71 3.121 11.798 0.628 1.00 0.00 O ATOM 0 H SER A 71 5.339 11.111 -0.134 1.00 0.00 H new ATOM 0 HA SER A 71 4.156 12.139 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.577 13.130 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.386 11.436 -1.297 1.00 0.00 H new ATOM 0 HG SER A 71 2.585 12.433 1.147 1.00 0.00 H new ATOM 1144 N LEU A 72 5.498 14.150 -2.426 1.00 0.00 N ATOM 1145 CA LEU A 72 6.273 15.370 -2.362 1.00 0.00 C ATOM 1146 C LEU A 72 5.372 16.565 -2.609 1.00 0.00 C ATOM 1147 O LEU A 72 4.507 16.568 -3.478 1.00 0.00 O ATOM 1148 CB LEU A 72 7.387 15.311 -3.418 1.00 0.00 C ATOM 1149 CG LEU A 72 8.045 13.945 -3.530 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.404 13.402 -2.137 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.210 13.004 -4.417 1.00 0.00 C ATOM 0 H LEU A 72 5.271 13.848 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 72 6.720 15.474 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.972 15.586 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.147 16.053 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 72 9.000 14.030 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.874 12.424 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.095 14.088 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.498 13.309 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.702 12.033 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.218 12.880 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.118 13.431 -5.416 1.00 0.00 H new ATOM 1163 N ASP A 73 5.664 17.575 -1.778 1.00 0.00 N ATOM 1164 CA ASP A 73 4.942 18.841 -1.854 1.00 0.00 C ATOM 1165 C ASP A 73 5.266 19.593 -3.162 1.00 0.00 C ATOM 1166 O ASP A 73 4.447 20.314 -3.716 1.00 0.00 O ATOM 1167 CB ASP A 73 5.308 19.726 -0.649 1.00 0.00 C ATOM 1168 CG ASP A 73 6.829 19.946 -0.499 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.505 19.065 0.031 1.00 0.00 O ATOM 1170 OD2 ASP A 73 7.318 20.994 -0.920 1.00 0.00 O ATOM 0 H ASP A 73 6.385 17.537 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 73 3.875 18.620 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.816 20.693 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.922 19.268 0.261 1.00 0.00 H new ATOM 1175 N ASN A 74 6.517 19.341 -3.601 1.00 0.00 N ATOM 1176 CA ASN A 74 7.073 19.954 -4.796 1.00 0.00 C ATOM 1177 C ASN A 74 7.250 18.967 -5.970 1.00 0.00 C ATOM 1178 O ASN A 74 7.801 19.329 -7.003 1.00 0.00 O ATOM 1179 CB ASN A 74 8.431 20.564 -4.407 1.00 0.00 C ATOM 1180 CG ASN A 74 9.418 19.507 -3.871 1.00 0.00 C ATOM 1181 OD1 ASN A 74 10.031 18.761 -4.622 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.528 19.489 -2.535 1.00 0.00 N ATOM 0 H ASN A 74 7.159 18.705 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 74 6.374 20.710 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.867 21.057 -5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.278 21.332 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.155 18.823 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.985 20.142 -1.970 1.00 0.00 H new ATOM 1189 N GLY A 75 6.766 17.722 -5.773 1.00 0.00 N ATOM 1190 CA GLY A 75 6.949 16.744 -6.849 1.00 0.00 C ATOM 1191 C GLY A 75 5.966 15.572 -6.893 1.00 0.00 C ATOM 1192 O GLY A 75 6.289 14.522 -7.424 1.00 0.00 O ATOM 0 H GLY A 75 6.280 17.392 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.891 17.272 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.958 16.338 -6.771 1.00 0.00 H new ATOM 1196 N GLY A 76 4.772 15.778 -6.317 1.00 0.00 N ATOM 1197 CA GLY A 76 3.721 14.768 -6.355 1.00 0.00 C ATOM 1198 C GLY A 76 4.036 13.436 -5.692 1.00 0.00 C ATOM 1199 O GLY A 76 3.718 13.225 -4.532 1.00 0.00 O ATOM 0 H GLY A 76 4.517 16.633 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.832 15.183 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.467 14.578 -7.398 1.00 0.00 H new ATOM 1203 N TYR A 77 4.642 12.546 -6.521 1.00 0.00 N ATOM 1204 CA TYR A 77 5.019 11.217 -6.065 1.00 0.00 C ATOM 1205 C TYR A 77 6.227 10.765 -6.854 1.00 0.00 C ATOM 1206 O TYR A 77 6.408 11.082 -8.023 1.00 0.00 O ATOM 1207 CB TYR A 77 3.948 10.130 -6.282 1.00 0.00 C ATOM 1208 CG TYR A 77 2.701 10.417 -5.513 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.757 11.269 -6.047 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.474 9.842 -4.277 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.580 11.568 -5.384 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.309 10.133 -3.588 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.360 11.015 -4.117 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.780 11.326 -3.387 1.00 0.00 O ATOM 0 H TYR A 77 4.871 12.739 -7.496 1.00 0.00 H new ATOM 0 HA TYR A 77 5.189 11.317 -4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.712 10.060 -7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.347 9.162 -5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.942 11.717 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.202 9.168 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.156 12.217 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.130 9.672 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.762 10.848 -2.532 1.00 0.00 H new ATOM 1224 N TYR A 78 7.024 9.979 -6.109 1.00 0.00 N ATOM 1225 CA TYR A 78 8.208 9.398 -6.726 1.00 0.00 C ATOM 1226 C TYR A 78 8.389 7.959 -6.221 1.00 0.00 C ATOM 1227 O TYR A 78 8.349 7.706 -5.022 1.00 0.00 O ATOM 1228 CB TYR A 78 9.457 10.291 -6.515 1.00 0.00 C ATOM 1229 CG TYR A 78 10.233 10.063 -5.242 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.033 8.935 -5.130 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.188 10.954 -4.174 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.765 8.663 -3.995 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.930 10.702 -3.024 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.728 9.555 -2.920 1.00 0.00 C ATOM 1235 OH TYR A 78 12.446 9.303 -1.756 1.00 0.00 O ATOM 0 H TYR A 78 6.874 9.745 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 78 8.074 9.352 -7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.131 10.141 -7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.141 11.334 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.084 8.247 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.577 11.842 -4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.364 7.766 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.890 11.400 -2.201 1.00 0.00 H new ATOM 0 HH TYR A 78 12.482 10.117 -1.211 1.00 0.00 H new ATOM 1245 N ILE A 79 8.557 7.032 -7.196 1.00 0.00 N ATOM 1246 CA ILE A 79 8.828 5.633 -6.828 1.00 0.00 C ATOM 1247 C ILE A 79 10.354 5.524 -6.736 1.00 0.00 C ATOM 1248 O ILE A 79 10.924 5.350 -5.665 1.00 0.00 O ATOM 1249 CB ILE A 79 8.136 4.557 -7.688 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.901 5.017 -9.121 1.00 0.00 C ATOM 1251 CG2 ILE A 79 6.826 3.989 -7.104 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.291 3.871 -9.913 1.00 0.00 C ATOM 0 H ILE A 79 8.511 7.220 -8.197 1.00 0.00 H new ATOM 0 HA ILE A 79 8.363 5.401 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 79 8.855 3.738 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.236 5.881 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.841 5.331 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.419 3.241 -7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.028 3.529 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.104 4.796 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.119 4.190 -10.941 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.973 3.021 -9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.343 3.579 -9.460 1.00 0.00 H new ATOM 1264 N SER A 80 10.974 5.671 -7.926 1.00 0.00 N ATOM 1265 CA SER A 80 12.428 5.707 -7.994 1.00 0.00 C ATOM 1266 C SER A 80 12.702 7.227 -7.879 1.00 0.00 C ATOM 1267 O SER A 80 11.965 8.008 -8.464 1.00 0.00 O ATOM 1268 CB SER A 80 12.933 5.091 -9.334 1.00 0.00 C ATOM 1269 OG SER A 80 12.255 3.920 -9.945 1.00 0.00 O ATOM 0 H SER A 80 10.496 5.763 -8.822 1.00 0.00 H new ATOM 0 HA SER A 80 12.943 5.126 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.920 5.889 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.976 4.812 -9.183 1.00 0.00 H new ATOM 0 HG SER A 80 12.709 3.677 -10.779 1.00 0.00 H new ATOM 1275 N PRO A 81 13.739 7.670 -7.117 1.00 0.00 N ATOM 1276 CA PRO A 81 13.961 9.110 -6.941 1.00 0.00 C ATOM 1277 C PRO A 81 14.287 9.920 -8.204 1.00 0.00 C ATOM 1278 O PRO A 81 14.085 11.127 -8.241 1.00 0.00 O ATOM 1279 CB PRO A 81 15.063 9.196 -5.875 1.00 0.00 C ATOM 1280 CG PRO A 81 15.196 7.789 -5.292 1.00 0.00 C ATOM 1281 CD PRO A 81 14.688 6.848 -6.376 1.00 0.00 C ATOM 0 HA PRO A 81 13.027 9.587 -6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.004 9.527 -6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.801 9.916 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.232 7.568 -5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.611 7.686 -4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.498 6.495 -7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.210 5.966 -5.951 1.00 0.00 H new ATOM 1289 N ARG A 82 14.748 9.192 -9.244 1.00 0.00 N ATOM 1290 CA ARG A 82 15.068 9.855 -10.511 1.00 0.00 C ATOM 1291 C ARG A 82 13.818 10.009 -11.406 1.00 0.00 C ATOM 1292 O ARG A 82 13.871 10.657 -12.443 1.00 0.00 O ATOM 1293 CB ARG A 82 16.263 9.206 -11.234 1.00 0.00 C ATOM 1294 CG ARG A 82 16.070 7.768 -11.738 1.00 0.00 C ATOM 1295 CD ARG A 82 16.019 6.737 -10.607 1.00 0.00 C ATOM 1296 NE ARG A 82 16.419 5.414 -11.071 1.00 0.00 N ATOM 1297 CZ ARG A 82 15.656 4.607 -11.838 1.00 0.00 C ATOM 1298 NH1 ARG A 82 14.432 4.957 -12.214 1.00 0.00 N ATOM 1299 NH2 ARG A 82 16.145 3.435 -12.222 1.00 0.00 N ATOM 0 H ARG A 82 14.900 8.184 -9.229 1.00 0.00 H new ATOM 0 HA ARG A 82 15.396 10.866 -10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.525 9.832 -12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.117 9.217 -10.556 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.147 7.712 -12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.885 7.515 -12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.675 7.053 -9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.009 6.691 -10.201 1.00 0.00 H new ATOM 0 HE ARG A 82 17.341 5.074 -10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.046 5.855 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.877 4.328 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.084 3.156 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.582 2.813 -12.802 1.00 0.00 H new ATOM 1313 N ILE A 83 12.703 9.389 -10.945 1.00 0.00 N ATOM 1314 CA ILE A 83 11.414 9.454 -11.624 1.00 0.00 C ATOM 1315 C ILE A 83 10.338 9.978 -10.648 1.00 0.00 C ATOM 1316 O ILE A 83 9.957 9.340 -9.670 1.00 0.00 O ATOM 1317 CB ILE A 83 11.069 8.176 -12.367 1.00 0.00 C ATOM 1318 CG1 ILE A 83 10.586 7.049 -11.456 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.201 7.745 -13.311 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.293 5.838 -12.315 1.00 0.00 C ATOM 0 H ILE A 83 12.688 8.833 -10.090 1.00 0.00 H new ATOM 0 HA ILE A 83 11.467 10.182 -12.433 1.00 0.00 H new ATOM 0 HB ILE A 83 10.208 8.411 -12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.345 6.811 -10.711 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.692 7.356 -10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.917 6.827 -13.825 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.381 8.530 -14.045 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.110 7.572 -12.734 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.946 5.020 -11.684 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.521 6.087 -13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.200 5.534 -12.837 1.00 0.00 H new ATOM 1332 N THR A 84 9.884 11.186 -11.028 1.00 0.00 N ATOM 1333 CA THR A 84 8.899 11.946 -10.266 1.00 0.00 C ATOM 1334 C THR A 84 7.743 12.326 -11.212 1.00 0.00 C ATOM 1335 O THR A 84 7.924 12.507 -12.410 1.00 0.00 O ATOM 1336 CB THR A 84 9.647 13.201 -9.748 1.00 0.00 C ATOM 1337 OG1 THR A 84 11.090 13.143 -9.479 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.923 13.736 -8.507 1.00 0.00 C ATOM 0 H THR A 84 10.197 11.657 -11.877 1.00 0.00 H new ATOM 0 HA THR A 84 8.474 11.389 -9.431 1.00 0.00 H new ATOM 0 HB THR A 84 9.611 13.860 -10.615 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.399 14.017 -9.162 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.442 14.619 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.899 14.001 -8.769 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.913 12.969 -7.733 1.00 0.00 H new ATOM 1346 N PHE A 85 6.555 12.419 -10.576 1.00 0.00 N ATOM 1347 CA PHE A 85 5.280 12.656 -11.282 1.00 0.00 C ATOM 1348 C PHE A 85 4.411 13.541 -10.370 1.00 0.00 C ATOM 1349 O PHE A 85 4.514 13.424 -9.163 1.00 0.00 O ATOM 1350 CB PHE A 85 4.621 11.275 -11.583 1.00 0.00 C ATOM 1351 CG PHE A 85 5.551 10.400 -12.397 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.586 9.720 -11.765 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.471 10.338 -13.787 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.592 9.114 -12.496 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.447 9.669 -14.523 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.524 9.071 -13.880 1.00 0.00 C ATOM 0 H PHE A 85 6.454 12.332 -9.565 1.00 0.00 H new ATOM 0 HA PHE A 85 5.414 13.168 -12.235 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.371 10.775 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.687 11.423 -12.125 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.605 9.664 -10.687 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.646 10.812 -14.298 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.435 8.672 -11.986 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.366 9.615 -15.599 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.298 8.579 -14.451 1.00 0.00 H new ATOM 1366 N PRO A 86 3.542 14.423 -10.945 1.00 0.00 N ATOM 1367 CA PRO A 86 2.716 15.336 -10.134 1.00 0.00 C ATOM 1368 C PRO A 86 1.612 14.647 -9.306 1.00 0.00 C ATOM 1369 O PRO A 86 1.022 15.248 -8.416 1.00 0.00 O ATOM 1370 CB PRO A 86 2.093 16.272 -11.183 1.00 0.00 C ATOM 1371 CG PRO A 86 2.091 15.461 -12.482 1.00 0.00 C ATOM 1372 CD PRO A 86 3.324 14.561 -12.383 1.00 0.00 C ATOM 0 HA PRO A 86 3.325 15.833 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.083 16.567 -10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.674 17.188 -11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.179 14.873 -12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.145 16.112 -13.355 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.152 13.594 -12.856 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.186 15.009 -12.877 1.00 0.00 H new ATOM 1380 N THR A 87 1.385 13.364 -9.635 1.00 0.00 N ATOM 1381 CA THR A 87 0.393 12.557 -8.935 1.00 0.00 C ATOM 1382 C THR A 87 0.695 11.105 -9.267 1.00 0.00 C ATOM 1383 O THR A 87 1.399 10.804 -10.226 1.00 0.00 O ATOM 1384 CB THR A 87 -1.083 12.809 -9.338 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.075 11.863 -8.828 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.206 13.132 -10.843 1.00 0.00 C ATOM 0 H THR A 87 1.878 12.872 -10.380 1.00 0.00 H new ATOM 0 HA THR A 87 0.473 12.820 -7.880 1.00 0.00 H new ATOM 0 HB THR A 87 -1.373 13.706 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.837 11.825 -9.443 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.253 13.304 -11.094 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.627 14.027 -11.072 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.825 12.294 -11.427 1.00 0.00 H new ATOM 1394 N LEU A 88 0.098 10.216 -8.437 1.00 0.00 N ATOM 1395 CA LEU A 88 0.303 8.808 -8.708 1.00 0.00 C ATOM 1396 C LEU A 88 -0.307 8.478 -10.066 1.00 0.00 C ATOM 1397 O LEU A 88 0.261 7.700 -10.798 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.432 7.830 -7.776 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.001 7.740 -6.321 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.883 6.662 -5.715 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.437 7.260 -6.170 1.00 0.00 C ATOM 0 H LEU A 88 -0.487 10.443 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 88 1.381 8.681 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.490 8.092 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.344 6.833 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.082 8.722 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.632 6.537 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.929 6.954 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.721 5.721 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.696 7.213 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.538 6.269 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.107 7.954 -6.677 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.453 9.100 -10.420 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.038 8.645 -11.685 1.00 0.00 C ATOM 1415 C GLN A 89 -1.146 8.908 -12.911 1.00 0.00 C ATOM 1416 O GLN A 89 -1.141 8.126 -13.845 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.499 9.066 -11.810 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.742 10.460 -12.354 1.00 0.00 C ATOM 1419 CD GLN A 89 -4.801 11.219 -11.553 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -4.380 11.488 -10.314 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -5.892 11.522 -12.013 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.942 9.836 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.068 7.556 -11.662 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.009 8.351 -12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.963 8.995 -10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.808 11.021 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.057 10.392 -13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.127 11.274 -12.974 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.568 12.023 -11.436 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.363 10.004 -12.823 1.00 0.00 N ATOM 1431 CA ALA A 90 0.579 10.362 -13.893 1.00 0.00 C ATOM 1432 C ALA A 90 1.793 9.386 -13.938 1.00 0.00 C ATOM 1433 O ALA A 90 2.566 9.346 -14.886 1.00 0.00 O ATOM 1434 CB ALA A 90 1.080 11.794 -13.657 1.00 0.00 C ATOM 0 H ALA A 90 -0.367 10.646 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 90 0.059 10.292 -14.848 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.780 12.069 -14.446 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.234 12.482 -13.666 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.582 11.849 -12.691 1.00 0.00 H new ATOM 1440 N LEU A 91 1.888 8.621 -12.840 1.00 0.00 N ATOM 1441 CA LEU A 91 2.870 7.586 -12.566 1.00 0.00 C ATOM 1442 C LEU A 91 2.352 6.240 -13.132 1.00 0.00 C ATOM 1443 O LEU A 91 3.053 5.543 -13.852 1.00 0.00 O ATOM 1444 CB LEU A 91 3.177 7.714 -11.043 1.00 0.00 C ATOM 1445 CG LEU A 91 3.571 6.498 -10.184 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.184 6.928 -8.852 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.397 5.568 -9.888 1.00 0.00 C ATOM 0 H LEU A 91 1.227 8.725 -12.070 1.00 0.00 H new ATOM 0 HA LEU A 91 3.834 7.674 -13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.982 8.442 -10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.293 8.152 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 91 4.304 5.955 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.450 6.044 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.078 7.523 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.461 7.524 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.740 4.731 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.625 6.117 -9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.986 5.191 -10.825 1.00 0.00 H new ATOM 1459 N VAL A 92 1.070 5.952 -12.818 1.00 0.00 N ATOM 1460 CA VAL A 92 0.369 4.742 -13.223 1.00 0.00 C ATOM 1461 C VAL A 92 -0.080 4.821 -14.709 1.00 0.00 C ATOM 1462 O VAL A 92 -0.502 3.828 -15.283 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.807 4.551 -12.221 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.419 3.172 -12.212 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.394 4.664 -10.761 1.00 0.00 C ATOM 0 H VAL A 92 0.490 6.580 -12.261 1.00 0.00 H new ATOM 0 HA VAL A 92 1.018 3.867 -13.184 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.483 5.331 -12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.229 3.138 -11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.812 2.942 -13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.659 2.438 -11.944 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.267 4.520 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.351 3.902 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.029 5.652 -10.578 1.00 0.00 H new ATOM 1475 N GLN A 93 0.068 6.042 -15.295 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.297 6.322 -16.683 1.00 0.00 C ATOM 1477 C GLN A 93 0.895 5.904 -17.558 1.00 0.00 C ATOM 1478 O GLN A 93 0.785 5.221 -18.572 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.691 7.804 -16.951 1.00 0.00 C ATOM 1480 CG GLN A 93 0.448 8.757 -17.357 1.00 0.00 C ATOM 1481 CD GLN A 93 0.004 10.217 -17.458 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.166 10.562 -17.375 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.038 11.051 -17.638 1.00 0.00 N ATOM 0 H GLN A 93 0.446 6.851 -14.803 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.195 5.754 -16.925 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.445 7.819 -17.738 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.162 8.200 -16.051 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.255 8.679 -16.629 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.853 8.440 -18.318 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.987 10.682 -17.697 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.876 12.055 -17.716 1.00 0.00 H new ATOM 1492 N HIS A 94 2.062 6.366 -17.038 1.00 0.00 N ATOM 1493 CA HIS A 94 3.353 6.123 -17.650 1.00 0.00 C ATOM 1494 C HIS A 94 3.567 4.618 -17.778 1.00 0.00 C ATOM 1495 O HIS A 94 3.932 4.121 -18.832 1.00 0.00 O ATOM 1496 CB HIS A 94 4.456 6.783 -16.796 1.00 0.00 C ATOM 1497 CG HIS A 94 5.825 6.671 -17.443 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.974 6.669 -16.735 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.154 6.568 -18.807 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.966 6.571 -17.634 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.502 6.506 -18.895 1.00 0.00 N ATOM 0 H HIS A 94 2.112 6.916 -16.181 1.00 0.00 H new ATOM 0 HA HIS A 94 3.393 6.561 -18.648 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.214 7.834 -16.642 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.481 6.314 -15.812 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.458 6.543 -19.632 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.014 6.547 -17.375 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.056 6.426 -19.747 1.00 0.00 H new ATOM 1509 N TYR A 95 3.257 3.931 -16.656 1.00 0.00 N ATOM 1510 CA TYR A 95 3.424 2.481 -16.633 1.00 0.00 C ATOM 1511 C TYR A 95 2.340 1.765 -17.427 1.00 0.00 C ATOM 1512 O TYR A 95 2.504 0.595 -17.739 1.00 0.00 O ATOM 1513 CB TYR A 95 3.596 1.952 -15.204 1.00 0.00 C ATOM 1514 CG TYR A 95 4.586 2.783 -14.443 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.707 3.335 -15.054 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.353 3.068 -13.112 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.539 4.211 -14.389 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.163 3.956 -12.434 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.244 4.567 -13.075 1.00 0.00 C ATOM 1520 OH TYR A 95 6.990 5.536 -12.428 1.00 0.00 O ATOM 0 H TYR A 95 2.905 4.346 -15.793 1.00 0.00 H new ATOM 0 HA TYR A 95 4.356 2.249 -17.148 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.635 1.962 -14.690 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.931 0.915 -15.233 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.932 3.070 -16.077 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.531 2.592 -12.598 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.410 4.617 -14.882 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.959 4.181 -11.398 1.00 0.00 H new ATOM 0 HH TYR A 95 6.468 5.912 -11.689 1.00 0.00 H new ATOM 1530 N SER A 96 1.244 2.492 -17.758 1.00 0.00 N ATOM 1531 CA SER A 96 0.228 1.843 -18.604 1.00 0.00 C ATOM 1532 C SER A 96 0.711 1.710 -20.062 1.00 0.00 C ATOM 1533 O SER A 96 0.048 1.079 -20.877 1.00 0.00 O ATOM 1534 CB SER A 96 -1.137 2.589 -18.548 1.00 0.00 C ATOM 1535 OG SER A 96 -1.876 2.669 -17.266 1.00 0.00 O ATOM 0 H SER A 96 1.053 3.453 -17.476 1.00 0.00 H new ATOM 0 HA SER A 96 0.076 0.842 -18.201 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.965 3.610 -18.889 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.797 2.117 -19.276 1.00 0.00 H new ATOM 0 HG SER A 96 -1.269 2.967 -16.557 1.00 0.00 H new ATOM 1541 N LYS A 97 1.893 2.307 -20.334 1.00 0.00 N ATOM 1542 CA LYS A 97 2.504 2.213 -21.661 1.00 0.00 C ATOM 1543 C LYS A 97 3.928 1.670 -21.592 1.00 0.00 C ATOM 1544 O LYS A 97 4.251 0.631 -22.156 1.00 0.00 O ATOM 1545 CB LYS A 97 2.466 3.595 -22.327 1.00 0.00 C ATOM 1546 CG LYS A 97 1.069 3.938 -22.843 1.00 0.00 C ATOM 1547 CD LYS A 97 0.689 3.043 -24.025 1.00 0.00 C ATOM 1548 CE LYS A 97 -0.574 3.503 -24.759 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.352 4.720 -25.534 1.00 0.00 N ATOM 0 H LYS A 97 2.430 2.850 -19.657 1.00 0.00 H new ATOM 0 HA LYS A 97 1.933 1.506 -22.263 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.785 4.352 -21.611 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.175 3.619 -23.154 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.341 3.817 -22.041 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.036 4.984 -23.148 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.519 3.014 -24.730 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.540 2.025 -23.666 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.915 2.709 -25.423 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.370 3.676 -24.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.208 4.945 -26.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.135 5.507 -24.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.445 4.576 -26.186 1.00 0.00 H new ATOM 1563 N LYS A 98 4.735 2.435 -20.859 1.00 0.00 N ATOM 1564 CA LYS A 98 6.135 2.116 -20.661 1.00 0.00 C ATOM 1565 C LYS A 98 6.432 2.142 -19.147 1.00 0.00 C ATOM 1566 O LYS A 98 6.502 3.196 -18.526 1.00 0.00 O ATOM 1567 CB LYS A 98 6.929 3.189 -21.424 1.00 0.00 C ATOM 1568 CG LYS A 98 8.262 2.675 -21.945 1.00 0.00 C ATOM 1569 CD LYS A 98 9.160 2.121 -20.857 1.00 0.00 C ATOM 1570 CE LYS A 98 10.518 1.700 -21.387 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.406 2.839 -21.607 1.00 0.00 N ATOM 0 H LYS A 98 4.432 3.289 -20.390 1.00 0.00 H new ATOM 0 HA LYS A 98 6.407 1.127 -21.030 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.332 3.550 -22.261 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.105 4.041 -20.767 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.078 1.897 -22.686 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.781 3.486 -22.456 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.294 2.875 -20.081 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.674 1.265 -20.389 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.983 1.011 -20.682 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.388 1.158 -22.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.342 2.497 -21.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.009 3.450 -22.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.500 3.382 -20.725 1.00 0.00 H new ATOM 1585 N GLY A 99 6.627 0.915 -18.604 1.00 0.00 N ATOM 1586 CA GLY A 99 6.944 0.729 -17.181 1.00 0.00 C ATOM 1587 C GLY A 99 8.174 1.518 -16.743 1.00 0.00 C ATOM 1588 O GLY A 99 8.322 1.950 -15.612 1.00 0.00 O ATOM 0 H GLY A 99 6.569 0.046 -19.135 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.088 1.035 -16.579 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.109 -0.331 -16.985 1.00 0.00 H new ATOM 1592 N ASP A 100 9.056 1.638 -17.746 1.00 0.00 N ATOM 1593 CA ASP A 100 10.313 2.365 -17.613 1.00 0.00 C ATOM 1594 C ASP A 100 11.146 1.900 -16.401 1.00 0.00 C ATOM 1595 O ASP A 100 11.542 2.671 -15.535 1.00 0.00 O ATOM 1596 CB ASP A 100 10.019 3.873 -17.592 1.00 0.00 C ATOM 1597 CG ASP A 100 11.247 4.691 -18.013 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.743 4.467 -19.118 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.693 5.536 -17.239 1.00 0.00 O ATOM 0 H ASP A 100 8.912 1.231 -18.670 1.00 0.00 H new ATOM 0 HA ASP A 100 10.939 2.144 -18.477 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.187 4.092 -18.262 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.708 4.170 -16.590 1.00 0.00 H new ATOM 1604 N GLY A 101 11.366 0.573 -16.423 1.00 0.00 N ATOM 1605 CA GLY A 101 12.158 -0.072 -15.380 1.00 0.00 C ATOM 1606 C GLY A 101 11.354 -0.540 -14.160 1.00 0.00 C ATOM 1607 O GLY A 101 11.865 -0.565 -13.046 1.00 0.00 O ATOM 0 H GLY A 101 11.010 -0.058 -17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.671 -0.932 -15.812 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.928 0.623 -15.045 1.00 0.00 H new ATOM 1611 N LEU A 102 10.082 -0.916 -14.430 1.00 0.00 N ATOM 1612 CA LEU A 102 9.185 -1.421 -13.387 1.00 0.00 C ATOM 1613 C LEU A 102 9.091 -2.958 -13.415 1.00 0.00 C ATOM 1614 O LEU A 102 8.207 -3.517 -12.786 1.00 0.00 O ATOM 1615 CB LEU A 102 7.771 -0.816 -13.565 1.00 0.00 C ATOM 1616 CG LEU A 102 7.480 0.510 -12.833 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.074 0.471 -12.244 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.435 0.848 -11.690 1.00 0.00 C ATOM 0 H LEU A 102 9.664 -0.876 -15.359 1.00 0.00 H new ATOM 0 HA LEU A 102 9.598 -1.122 -12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.601 -0.659 -14.630 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.042 -1.554 -13.231 1.00 0.00 H new ATOM 0 HG LEU A 102 7.605 1.278 -13.596 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.870 1.409 -11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.348 0.333 -13.045 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.998 -0.356 -11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.144 1.798 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.392 0.063 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.452 0.925 -12.076 1.00 0.00 H new ATOM 1630 N CYS A 103 10.012 -3.606 -14.162 1.00 0.00 N ATOM 1631 CA CYS A 103 10.069 -5.065 -14.300 1.00 0.00 C ATOM 1632 C CYS A 103 9.097 -5.584 -15.377 1.00 0.00 C ATOM 1633 O CYS A 103 9.497 -6.279 -16.302 1.00 0.00 O ATOM 1634 CB CYS A 103 9.960 -5.838 -12.967 1.00 0.00 C ATOM 1635 SG CYS A 103 8.304 -6.138 -12.286 1.00 0.00 S ATOM 0 H CYS A 103 10.739 -3.121 -14.687 1.00 0.00 H new ATOM 0 HA CYS A 103 11.078 -5.280 -14.652 1.00 0.00 H new ATOM 0 HB2 CYS A 103 10.445 -6.805 -13.101 1.00 0.00 H new ATOM 0 HB3 CYS A 103 10.535 -5.294 -12.218 1.00 0.00 H new ATOM 0 HG CYS A 103 7.643 -5.019 -12.243 1.00 0.00 H new ATOM 1641 N GLN A 104 7.815 -5.194 -15.199 1.00 0.00 N ATOM 1642 CA GLN A 104 6.740 -5.574 -16.102 1.00 0.00 C ATOM 1643 C GLN A 104 5.625 -4.554 -15.884 1.00 0.00 C ATOM 1644 O GLN A 104 4.930 -4.518 -14.876 1.00 0.00 O ATOM 1645 CB GLN A 104 6.218 -7.005 -15.857 1.00 0.00 C ATOM 1646 CG GLN A 104 7.262 -8.105 -16.121 1.00 0.00 C ATOM 1647 CD GLN A 104 6.615 -9.482 -16.300 1.00 0.00 C ATOM 1648 OE1 GLN A 104 5.978 -9.762 -17.307 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.808 -10.317 -15.269 1.00 0.00 N ATOM 0 H GLN A 104 7.511 -4.608 -14.422 1.00 0.00 H new ATOM 0 HA GLN A 104 7.107 -5.576 -17.128 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.875 -7.084 -14.826 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.352 -7.179 -16.495 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.834 -7.855 -17.015 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.967 -8.141 -15.291 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.352 -10.013 -14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.411 -11.256 -15.292 1.00 0.00 H new ATOM 1658 N LYS A 105 5.544 -3.728 -16.938 1.00 0.00 N ATOM 1659 CA LYS A 105 4.619 -2.632 -17.055 1.00 0.00 C ATOM 1660 C LYS A 105 3.161 -3.107 -16.967 1.00 0.00 C ATOM 1661 O LYS A 105 2.826 -4.263 -17.204 1.00 0.00 O ATOM 1662 CB LYS A 105 5.085 -1.766 -18.231 1.00 0.00 C ATOM 1663 CG LYS A 105 5.002 -2.256 -19.682 1.00 0.00 C ATOM 1664 CD LYS A 105 3.617 -2.452 -20.245 1.00 0.00 C ATOM 1665 CE LYS A 105 2.750 -1.236 -20.011 1.00 0.00 C ATOM 1666 NZ LYS A 105 1.634 -1.208 -20.943 1.00 0.00 N ATOM 0 H LYS A 105 6.151 -3.823 -17.753 1.00 0.00 H new ATOM 0 HA LYS A 105 4.622 -1.948 -16.206 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.519 -0.836 -18.180 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.129 -1.515 -18.043 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.530 -1.542 -20.314 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.537 -3.203 -19.754 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.682 -2.654 -21.314 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.155 -3.325 -19.783 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.374 -1.243 -18.988 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.347 -0.331 -20.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.389 -0.221 -21.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.901 -1.701 -21.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.813 -1.682 -20.516 1.00 0.00 H new ATOM 1680 N LEU A 106 2.343 -2.112 -16.567 1.00 0.00 N ATOM 1681 CA LEU A 106 0.921 -2.351 -16.331 1.00 0.00 C ATOM 1682 C LEU A 106 0.204 -2.952 -17.547 1.00 0.00 C ATOM 1683 O LEU A 106 0.506 -2.669 -18.700 1.00 0.00 O ATOM 1684 CB LEU A 106 0.083 -1.120 -15.885 1.00 0.00 C ATOM 1685 CG LEU A 106 0.675 -0.195 -14.805 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.362 0.404 -13.835 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.674 -0.913 -13.939 1.00 0.00 C ATOM 0 H LEU A 106 2.645 -1.151 -16.405 1.00 0.00 H new ATOM 0 HA LEU A 106 0.962 -3.054 -15.499 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.118 -0.515 -16.769 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.878 -1.484 -15.522 1.00 0.00 H new ATOM 0 HG LEU A 106 1.131 0.604 -15.389 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.144 1.041 -13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.085 0.996 -14.396 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.879 -0.401 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.067 -0.225 -13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.187 -1.752 -13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.492 -1.283 -14.557 1.00 0.00 H new ATOM 1699 N THR A 107 -0.765 -3.805 -17.191 1.00 0.00 N ATOM 1700 CA THR A 107 -1.588 -4.444 -18.204 1.00 0.00 C ATOM 1701 C THR A 107 -3.016 -4.102 -17.901 1.00 0.00 C ATOM 1702 O THR A 107 -3.684 -3.361 -18.611 1.00 0.00 O ATOM 1703 CB THR A 107 -1.345 -5.974 -18.281 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.885 -6.909 -17.286 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.158 -6.196 -18.547 1.00 0.00 C ATOM 0 H THR A 107 -0.989 -4.059 -16.229 1.00 0.00 H new ATOM 0 HA THR A 107 -1.321 -4.073 -19.193 1.00 0.00 H new ATOM 0 HB THR A 107 -2.005 -6.276 -19.095 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.148 -7.388 -16.853 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.363 -7.265 -18.607 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.435 -5.720 -19.488 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.740 -5.760 -17.735 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.394 -4.691 -16.754 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.740 -4.496 -16.266 1.00 0.00 C ATOM 1715 C LEU A 108 -4.699 -4.579 -14.743 1.00 0.00 C ATOM 1716 O LEU A 108 -4.307 -5.611 -14.225 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.652 -5.642 -16.725 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.600 -5.980 -18.217 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -6.066 -7.413 -18.470 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.409 -4.952 -19.014 1.00 0.00 C ATOM 0 H LEU A 108 -2.799 -5.284 -16.175 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.112 -3.540 -16.635 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.391 -6.537 -16.160 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.680 -5.389 -16.465 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.567 -5.925 -18.561 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.019 -7.628 -19.538 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.419 -8.106 -17.932 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.092 -7.529 -18.121 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.367 -5.199 -20.075 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.446 -4.966 -18.679 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.990 -3.958 -18.856 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.107 -3.501 -14.025 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.159 -3.522 -12.562 1.00 0.00 C ATOM 1734 C PRO A 109 -6.009 -4.720 -12.121 1.00 0.00 C ATOM 1735 O PRO A 109 -6.945 -5.095 -12.818 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.805 -2.187 -12.166 1.00 0.00 C ATOM 1737 CG PRO A 109 -5.639 -1.299 -13.402 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.563 -2.254 -14.603 1.00 0.00 C ATOM 0 HA PRO A 109 -4.182 -3.629 -12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.856 -2.316 -11.908 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -5.314 -1.751 -11.296 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -6.478 -0.611 -13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.736 -0.692 -13.328 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.534 -2.368 -15.085 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.871 -1.888 -15.362 1.00 0.00 H new ATOM 1746 N CYS A 110 -5.603 -5.311 -10.977 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.275 -6.491 -10.409 1.00 0.00 C ATOM 1748 C CYS A 110 -7.821 -6.478 -10.566 1.00 0.00 C ATOM 1749 O CYS A 110 -8.427 -5.434 -10.763 1.00 0.00 O ATOM 1750 CB CYS A 110 -5.889 -6.641 -8.935 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.032 -8.347 -8.363 1.00 0.00 S ATOM 0 H CYS A 110 -4.807 -4.985 -10.428 1.00 0.00 H new ATOM 0 HA CYS A 110 -5.930 -7.351 -10.983 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -4.865 -6.296 -8.793 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.528 -6.001 -8.327 1.00 0.00 H new ATOM 0 HG CYS A 110 -4.987 -9.021 -8.742 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.406 -7.694 -10.445 1.00 0.00 N ATOM 1758 CA VAL A 111 -9.848 -7.913 -10.582 1.00 0.00 C ATOM 1759 C VAL A 111 -10.647 -6.959 -9.661 1.00 0.00 C ATOM 1760 O VAL A 111 -10.874 -7.200 -8.483 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.173 -9.410 -10.369 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -9.855 -9.939 -8.960 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.622 -9.728 -10.760 1.00 0.00 C ATOM 0 H VAL A 111 -7.881 -8.546 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.165 -7.665 -11.595 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.498 -9.943 -11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.114 -10.996 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.792 -9.814 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.434 -9.382 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.818 -10.788 -10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.302 -9.136 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.776 -9.487 -11.812 1.00 0.00 H new ATOM 1773 N ASN A 112 -11.057 -5.855 -10.312 1.00 0.00 N ATOM 1774 CA ASN A 112 -11.817 -4.779 -9.689 1.00 0.00 C ATOM 1775 C ASN A 112 -13.318 -5.121 -9.692 1.00 0.00 C ATOM 1776 O ASN A 112 -14.079 -4.761 -10.580 1.00 0.00 O ATOM 1777 CB ASN A 112 -11.497 -3.450 -10.412 1.00 0.00 C ATOM 1778 CG ASN A 112 -11.400 -3.585 -11.948 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -12.389 -3.569 -12.666 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -10.141 -3.712 -12.401 1.00 0.00 N ATOM 0 H ASN A 112 -10.862 -5.692 -11.300 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.530 -4.661 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.269 -2.720 -10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -10.554 -3.057 -10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.966 -3.803 -13.402 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -9.361 -3.718 -11.744 1.00 0.00 H new ATOM 1787 N LEU A 113 -13.666 -5.855 -8.615 1.00 0.00 N ATOM 1788 CA LEU A 113 -15.033 -6.311 -8.391 1.00 0.00 C ATOM 1789 C LEU A 113 -15.896 -5.171 -7.814 1.00 0.00 C ATOM 1790 O LEU A 113 -16.058 -5.029 -6.608 1.00 0.00 O ATOM 1791 CB LEU A 113 -14.997 -7.511 -7.427 1.00 0.00 C ATOM 1792 CG LEU A 113 -14.205 -8.721 -7.961 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -14.023 -9.786 -6.873 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -14.879 -9.339 -9.195 1.00 0.00 C ATOM 0 H LEU A 113 -13.008 -6.140 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.481 -6.616 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.559 -7.191 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.019 -7.824 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 113 -13.223 -8.353 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.461 -10.628 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -13.478 -9.357 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -15.000 -10.131 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.292 -10.189 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.882 -9.674 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.942 -8.593 -9.987 1.00 0.00 H new ATOM 1806 N ALA A 114 -16.427 -4.383 -8.772 1.00 0.00 N ATOM 1807 CA ALA A 114 -17.281 -3.241 -8.467 1.00 0.00 C ATOM 1808 C ALA A 114 -18.766 -3.649 -8.573 1.00 0.00 C ATOM 1809 O ALA A 114 -19.173 -4.134 -9.630 1.00 0.00 O ATOM 1810 CB ALA A 114 -16.951 -2.104 -9.444 1.00 0.00 C ATOM 1811 OXT ALA A 114 -19.500 -3.481 -7.598 1.00 0.00 O ATOM 0 H ALA A 114 -16.271 -4.528 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 114 -17.101 -2.899 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.583 -1.243 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.904 -1.822 -9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.132 -2.438 -10.466 1.00 0.00 H new TER 1817 ALA A 114