USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 890 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 99 GLN : amide:sc= -4.49 K(o=-3.6,f=-2.3!) USER MOD Set 1.2: A 102 TYR OH : rot 136:sc= 0.846 USER MOD Set 2.1: A 30 SER OG : rot 142:sc= 0.0586 USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= -0.73 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.7) USER MOD Set 3.2: A 10 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.745 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.179 USER MOD Single : A 6 SER OG : rot 22:sc= 0.81 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0458 (180deg=-0.335) USER MOD Single : A 31 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0.841) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0088 X(o=-0.0088,f=-0.26) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc=-0.00458 (180deg=-0.114) USER MOD Single : A 43 SER OG : rot 81:sc= -0.444 USER MOD Single : A 44 HIS : no HD1:sc= -4.1 K(o=-4.1,f=-8.3!) USER MOD Single : A 50 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.035) USER MOD Single : A 51 HIS : no HD1:sc= -0.0185 K(o=-0.018,f=-1.2) USER MOD Single : A 52 TYR OH : rot -1:sc= -0.351 USER MOD Single : A 53 GLN : amide:sc= -2.26 K(o=-2.3,f=-5.9!) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= 0.598 (180deg=0.000185) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 98:sc= -0.152 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.0637 X(o=0.064,f=0) USER MOD Single : A 74 THR OG1 : rot 132:sc= 0.0695 USER MOD Single : A 75 MET CE :methyl -107:sc= -1.73! (180deg=-4.61!) USER MOD Single : A 79 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.13) USER MOD Single : A 80 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.4!) USER MOD Single : A 84 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.1!) USER MOD Single : A 85 THR OG1 : rot 64:sc= 0.0593 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= 0.976 USER MOD Single : A 95 ASN : amide:sc= -8.31! C(o=-8.3!,f=-16!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -95:sc= 0.644 USER MOD Single : A 104 LYS NZ :NH3+ -140:sc= -0.13 (180deg=-1.27) USER MOD Single : A 109 GLN : amide:sc= -0.0105 K(o=-0.01,f=-1.4) USER MOD Single : A 110 THR OG1 : rot -168:sc= 1.29 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.537 -27.337 -4.855 1.00 0.00 N ATOM 2 CA GLY A 1 -35.273 -27.034 -4.210 1.00 0.00 C ATOM 3 C GLY A 1 -35.257 -25.655 -3.583 1.00 0.00 C ATOM 4 O GLY A 1 -35.106 -25.519 -2.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.496 -28.291 -5.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.303 -27.296 -4.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.718 -26.642 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.073 -27.781 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.469 -27.106 -4.942 1.00 0.00 H new ATOM 8 N SER A 2 -35.412 -24.628 -4.413 1.00 0.00 N ATOM 9 CA SER A 2 -35.409 -23.250 -3.933 1.00 0.00 C ATOM 10 C SER A 2 -36.117 -22.330 -4.923 1.00 0.00 C ATOM 11 O SER A 2 -36.324 -22.687 -6.082 1.00 0.00 O ATOM 12 CB SER A 2 -33.975 -22.769 -3.709 1.00 0.00 C ATOM 13 OG SER A 2 -33.478 -23.215 -2.458 1.00 0.00 O ATOM 0 H SER A 2 -35.541 -24.724 -5.420 1.00 0.00 H new ATOM 0 HA SER A 2 -35.947 -23.219 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.335 -23.137 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.942 -21.680 -3.750 1.00 0.00 H new ATOM 0 HG SER A 2 -33.949 -24.032 -2.192 1.00 0.00 H new ATOM 19 N SER A 3 -36.486 -21.142 -4.455 1.00 0.00 N ATOM 20 CA SER A 3 -37.174 -20.169 -5.297 1.00 0.00 C ATOM 21 C SER A 3 -36.352 -18.892 -5.435 1.00 0.00 C ATOM 22 O SER A 3 -35.310 -18.738 -4.799 1.00 0.00 O ATOM 23 CB SER A 3 -38.550 -19.842 -4.713 1.00 0.00 C ATOM 24 OG SER A 3 -38.437 -19.002 -3.578 1.00 0.00 O ATOM 0 H SER A 3 -36.320 -20.830 -3.498 1.00 0.00 H new ATOM 0 HA SER A 3 -37.301 -20.607 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.163 -19.354 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.060 -20.765 -4.437 1.00 0.00 H new ATOM 0 HG SER A 3 -39.330 -18.807 -3.225 1.00 0.00 H new ATOM 30 N GLY A 4 -36.829 -17.976 -6.273 1.00 0.00 N ATOM 31 CA GLY A 4 -36.126 -16.724 -6.481 1.00 0.00 C ATOM 32 C GLY A 4 -34.875 -16.893 -7.322 1.00 0.00 C ATOM 33 O GLY A 4 -34.709 -17.906 -8.001 1.00 0.00 O ATOM 0 H GLY A 4 -37.689 -18.079 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.794 -16.013 -6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.856 -16.298 -5.515 1.00 0.00 H new ATOM 37 N SER A 5 -33.996 -15.897 -7.278 1.00 0.00 N ATOM 38 CA SER A 5 -32.757 -15.938 -8.046 1.00 0.00 C ATOM 39 C SER A 5 -31.730 -16.841 -7.371 1.00 0.00 C ATOM 40 O SER A 5 -31.358 -16.624 -6.218 1.00 0.00 O ATOM 41 CB SER A 5 -32.187 -14.528 -8.207 1.00 0.00 C ATOM 42 OG SER A 5 -32.085 -13.872 -6.955 1.00 0.00 O ATOM 0 H SER A 5 -34.119 -15.053 -6.719 1.00 0.00 H new ATOM 0 HA SER A 5 -32.981 -16.346 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.204 -14.581 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.826 -13.948 -8.874 1.00 0.00 H new ATOM 0 HG SER A 5 -31.786 -14.511 -6.274 1.00 0.00 H new ATOM 48 N SER A 6 -31.274 -17.855 -8.099 1.00 0.00 N ATOM 49 CA SER A 6 -30.292 -18.794 -7.572 1.00 0.00 C ATOM 50 C SER A 6 -29.554 -19.504 -8.704 1.00 0.00 C ATOM 51 O SER A 6 -30.096 -19.685 -9.794 1.00 0.00 O ATOM 52 CB SER A 6 -30.974 -19.824 -6.668 1.00 0.00 C ATOM 53 OG SER A 6 -31.185 -19.301 -5.369 1.00 0.00 O ATOM 0 H SER A 6 -31.569 -18.047 -9.056 1.00 0.00 H new ATOM 0 HA SER A 6 -29.566 -18.230 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.928 -20.120 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.360 -20.722 -6.607 1.00 0.00 H new ATOM 0 HG SER A 6 -31.182 -18.322 -5.406 1.00 0.00 H new ATOM 59 N GLY A 7 -28.315 -19.903 -8.436 1.00 0.00 N ATOM 60 CA GLY A 7 -27.522 -20.588 -9.441 1.00 0.00 C ATOM 61 C GLY A 7 -26.032 -20.436 -9.207 1.00 0.00 C ATOM 62 O GLY A 7 -25.338 -21.416 -8.941 1.00 0.00 O ATOM 0 H GLY A 7 -27.846 -19.764 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.780 -21.647 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.774 -20.197 -10.427 1.00 0.00 H new ATOM 66 N GLN A 8 -25.541 -19.206 -9.307 1.00 0.00 N ATOM 67 CA GLN A 8 -24.123 -18.930 -9.106 1.00 0.00 C ATOM 68 C GLN A 8 -23.841 -18.558 -7.656 1.00 0.00 C ATOM 69 O GLN A 8 -23.182 -17.556 -7.379 1.00 0.00 O ATOM 70 CB GLN A 8 -23.665 -17.803 -10.033 1.00 0.00 C ATOM 71 CG GLN A 8 -24.008 -18.039 -11.495 1.00 0.00 C ATOM 72 CD GLN A 8 -23.431 -19.336 -12.028 1.00 0.00 C ATOM 73 OE1 GLN A 8 -23.982 -20.414 -11.799 1.00 0.00 O ATOM 74 NE2 GLN A 8 -22.317 -19.239 -12.744 1.00 0.00 N ATOM 0 H GLN A 8 -26.104 -18.384 -9.526 1.00 0.00 H new ATOM 0 HA GLN A 8 -23.565 -19.836 -9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -24.122 -16.868 -9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -22.586 -17.681 -9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -25.092 -18.053 -11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -23.633 -17.207 -12.091 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.895 -18.325 -12.909 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -21.884 -20.078 -13.129 1.00 0.00 H new ATOM 83 N GLU A 9 -24.345 -19.372 -6.732 1.00 0.00 N ATOM 84 CA GLU A 9 -24.147 -19.126 -5.309 1.00 0.00 C ATOM 85 C GLU A 9 -23.476 -20.321 -4.638 1.00 0.00 C ATOM 86 O GLU A 9 -23.617 -20.530 -3.433 1.00 0.00 O ATOM 87 CB GLU A 9 -25.485 -18.830 -4.629 1.00 0.00 C ATOM 88 CG GLU A 9 -25.989 -17.416 -4.865 1.00 0.00 C ATOM 89 CD GLU A 9 -26.964 -16.958 -3.798 1.00 0.00 C ATOM 90 OE1 GLU A 9 -28.126 -17.417 -3.822 1.00 0.00 O ATOM 91 OE2 GLU A 9 -26.568 -16.141 -2.942 1.00 0.00 O ATOM 0 H GLU A 9 -24.893 -20.206 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.495 -18.259 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.231 -19.538 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.382 -18.996 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -25.141 -16.732 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.473 -17.365 -5.840 1.00 0.00 H new ATOM 98 N TYR A 10 -22.749 -21.104 -5.428 1.00 0.00 N ATOM 99 CA TYR A 10 -22.060 -22.280 -4.912 1.00 0.00 C ATOM 100 C TYR A 10 -20.886 -21.879 -4.023 1.00 0.00 C ATOM 101 O TYR A 10 -20.803 -22.285 -2.864 1.00 0.00 O ATOM 102 CB TYR A 10 -21.564 -23.153 -6.065 1.00 0.00 C ATOM 103 CG TYR A 10 -21.225 -22.371 -7.314 1.00 0.00 C ATOM 104 CD1 TYR A 10 -19.961 -21.820 -7.490 1.00 0.00 C ATOM 105 CD2 TYR A 10 -22.166 -22.182 -8.318 1.00 0.00 C ATOM 106 CE1 TYR A 10 -19.646 -21.103 -8.628 1.00 0.00 C ATOM 107 CE2 TYR A 10 -21.860 -21.469 -9.460 1.00 0.00 C ATOM 108 CZ TYR A 10 -20.598 -20.931 -9.611 1.00 0.00 C ATOM 109 OH TYR A 10 -20.289 -20.219 -10.746 1.00 0.00 O ATOM 0 H TYR A 10 -22.622 -20.945 -6.428 1.00 0.00 H new ATOM 0 HA TYR A 10 -22.769 -22.850 -4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -20.681 -23.703 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -22.329 -23.892 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.212 -21.955 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -23.155 -22.600 -8.203 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.660 -20.679 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -22.604 -21.333 -10.231 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.547 -20.737 -11.537 1.00 0.00 H new ATOM 119 N ILE A 11 -19.981 -21.077 -4.576 1.00 0.00 N ATOM 120 CA ILE A 11 -18.814 -20.617 -3.834 1.00 0.00 C ATOM 121 C ILE A 11 -18.752 -19.095 -3.793 1.00 0.00 C ATOM 122 O ILE A 11 -18.430 -18.503 -2.762 1.00 0.00 O ATOM 123 CB ILE A 11 -17.508 -21.156 -4.450 1.00 0.00 C ATOM 124 CG1 ILE A 11 -17.529 -22.686 -4.485 1.00 0.00 C ATOM 125 CG2 ILE A 11 -16.306 -20.655 -3.664 1.00 0.00 C ATOM 126 CD1 ILE A 11 -16.512 -23.282 -5.433 1.00 0.00 C ATOM 0 H ILE A 11 -20.034 -20.733 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 11 -18.914 -21.001 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.427 -20.789 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.345 -23.067 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.525 -23.021 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.391 -21.044 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.286 -19.565 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.379 -20.996 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.583 -24.369 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.709 -22.930 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.510 -22.977 -5.131 1.00 0.00 H new ATOM 138 N LEU A 12 -19.065 -18.465 -4.920 1.00 0.00 N ATOM 139 CA LEU A 12 -19.048 -17.009 -5.014 1.00 0.00 C ATOM 140 C LEU A 12 -19.863 -16.382 -3.887 1.00 0.00 C ATOM 141 O LEU A 12 -19.729 -15.193 -3.597 1.00 0.00 O ATOM 142 CB LEU A 12 -19.597 -16.559 -6.368 1.00 0.00 C ATOM 143 CG LEU A 12 -18.628 -16.647 -7.548 1.00 0.00 C ATOM 144 CD1 LEU A 12 -19.390 -16.811 -8.853 1.00 0.00 C ATOM 145 CD2 LEU A 12 -17.737 -15.413 -7.599 1.00 0.00 C ATOM 0 H LEU A 12 -19.334 -18.940 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 12 -18.015 -16.675 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.476 -17.161 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.933 -15.526 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.994 -17.523 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -18.684 -16.872 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.984 -17.724 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.049 -15.955 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.054 -15.492 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -18.355 -14.523 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.164 -15.340 -6.675 1.00 0.00 H new ATOM 157 N ALA A 13 -20.708 -17.190 -3.254 1.00 0.00 N ATOM 158 CA ALA A 13 -21.542 -16.714 -2.157 1.00 0.00 C ATOM 159 C ALA A 13 -20.868 -16.957 -0.810 1.00 0.00 C ATOM 160 O ALA A 13 -21.028 -16.173 0.125 1.00 0.00 O ATOM 161 CB ALA A 13 -22.903 -17.392 -2.198 1.00 0.00 C ATOM 0 H ALA A 13 -20.833 -18.176 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 13 -21.679 -15.639 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -23.516 -17.028 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.395 -17.164 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.775 -18.471 -2.106 1.00 0.00 H new ATOM 167 N LEU A 14 -20.115 -18.048 -0.720 1.00 0.00 N ATOM 168 CA LEU A 14 -19.418 -18.395 0.513 1.00 0.00 C ATOM 169 C LEU A 14 -17.968 -17.923 0.471 1.00 0.00 C ATOM 170 O LEU A 14 -17.115 -18.436 1.195 1.00 0.00 O ATOM 171 CB LEU A 14 -19.467 -19.907 0.743 1.00 0.00 C ATOM 172 CG LEU A 14 -20.846 -20.558 0.635 1.00 0.00 C ATOM 173 CD1 LEU A 14 -20.722 -22.074 0.627 1.00 0.00 C ATOM 174 CD2 LEU A 14 -21.741 -20.100 1.778 1.00 0.00 C ATOM 0 H LEU A 14 -19.972 -18.707 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.921 -17.892 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.804 -20.386 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.065 -20.117 1.734 1.00 0.00 H new ATOM 0 HG LEU A 14 -21.302 -20.247 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -21.714 -22.520 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.117 -22.385 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.246 -22.405 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.719 -20.573 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.289 -20.382 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.856 -19.017 1.738 1.00 0.00 H new ATOM 186 N ALA A 15 -17.696 -16.941 -0.382 1.00 0.00 N ATOM 187 CA ALA A 15 -16.350 -16.396 -0.517 1.00 0.00 C ATOM 188 C ALA A 15 -16.017 -15.464 0.643 1.00 0.00 C ATOM 189 O ALA A 15 -16.901 -15.049 1.393 1.00 0.00 O ATOM 190 CB ALA A 15 -16.208 -15.663 -1.843 1.00 0.00 C ATOM 0 H ALA A 15 -18.390 -16.506 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.644 -17.226 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.198 -15.261 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.395 -16.356 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.928 -14.846 -1.886 1.00 0.00 H new ATOM 196 N ASP A 16 -14.737 -15.139 0.785 1.00 0.00 N ATOM 197 CA ASP A 16 -14.287 -14.256 1.854 1.00 0.00 C ATOM 198 C ASP A 16 -13.530 -13.058 1.288 1.00 0.00 C ATOM 199 O ASP A 16 -13.448 -12.881 0.072 1.00 0.00 O ATOM 200 CB ASP A 16 -13.397 -15.021 2.836 1.00 0.00 C ATOM 201 CG ASP A 16 -14.097 -16.223 3.437 1.00 0.00 C ATOM 202 OD1 ASP A 16 -14.887 -16.035 4.387 1.00 0.00 O ATOM 203 OD2 ASP A 16 -13.856 -17.350 2.959 1.00 0.00 O ATOM 0 H ASP A 16 -13.993 -15.474 0.173 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.167 -13.889 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.494 -15.350 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.083 -14.350 3.635 1.00 0.00 H new ATOM 208 N VAL A 17 -12.979 -12.239 2.177 1.00 0.00 N ATOM 209 CA VAL A 17 -12.228 -11.058 1.766 1.00 0.00 C ATOM 210 C VAL A 17 -10.762 -11.397 1.521 1.00 0.00 C ATOM 211 O VAL A 17 -10.219 -12.353 2.075 1.00 0.00 O ATOM 212 CB VAL A 17 -12.317 -9.941 2.823 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.612 -9.158 2.664 1.00 0.00 C ATOM 214 CG2 VAL A 17 -12.203 -10.523 4.224 1.00 0.00 C ATOM 0 H VAL A 17 -13.038 -12.371 3.187 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.676 -10.705 0.837 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.485 -9.254 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.658 -8.373 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.646 -8.709 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.461 -9.830 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.268 -9.720 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.013 -11.233 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.246 -11.034 4.329 1.00 0.00 H new ATOM 224 N PRO A 18 -10.103 -10.594 0.672 1.00 0.00 N ATOM 225 CA PRO A 18 -8.690 -10.787 0.335 1.00 0.00 C ATOM 226 C PRO A 18 -7.766 -10.470 1.506 1.00 0.00 C ATOM 227 O PRO A 18 -8.100 -9.661 2.372 1.00 0.00 O ATOM 228 CB PRO A 18 -8.460 -9.799 -0.810 1.00 0.00 C ATOM 229 CG PRO A 18 -9.489 -8.741 -0.610 1.00 0.00 C ATOM 230 CD PRO A 18 -10.687 -9.435 -0.024 1.00 0.00 C ATOM 0 HA PRO A 18 -8.472 -11.822 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.453 -9.383 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.574 -10.283 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.123 -7.962 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.741 -8.258 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.231 -8.786 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.391 -9.743 -0.797 1.00 0.00 H new ATOM 238 N SER A 19 -6.602 -11.111 1.527 1.00 0.00 N ATOM 239 CA SER A 19 -5.631 -10.900 2.594 1.00 0.00 C ATOM 240 C SER A 19 -4.867 -9.596 2.382 1.00 0.00 C ATOM 241 O SER A 19 -4.907 -9.010 1.302 1.00 0.00 O ATOM 242 CB SER A 19 -4.652 -12.073 2.662 1.00 0.00 C ATOM 243 OG SER A 19 -4.029 -12.145 3.932 1.00 0.00 O ATOM 0 H SER A 19 -6.308 -11.781 0.817 1.00 0.00 H new ATOM 0 HA SER A 19 -6.173 -10.835 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.181 -13.004 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.893 -11.963 1.887 1.00 0.00 H new ATOM 0 HG SER A 19 -3.409 -12.904 3.950 1.00 0.00 H new ATOM 249 N SER A 20 -4.172 -9.149 3.424 1.00 0.00 N ATOM 250 CA SER A 20 -3.401 -7.913 3.354 1.00 0.00 C ATOM 251 C SER A 20 -2.216 -8.064 2.407 1.00 0.00 C ATOM 252 O SER A 20 -1.580 -9.116 2.330 1.00 0.00 O ATOM 253 CB SER A 20 -2.908 -7.516 4.748 1.00 0.00 C ATOM 254 OG SER A 20 -2.324 -8.621 5.416 1.00 0.00 O ATOM 0 H SER A 20 -4.127 -9.624 4.326 1.00 0.00 H new ATOM 0 HA SER A 20 -4.052 -7.129 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.178 -6.711 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.741 -7.131 5.336 1.00 0.00 H new ATOM 0 HG SER A 20 -2.016 -8.341 6.303 1.00 0.00 H new ATOM 260 N PRO A 21 -1.910 -6.989 1.666 1.00 0.00 N ATOM 261 CA PRO A 21 -0.800 -6.975 0.709 1.00 0.00 C ATOM 262 C PRO A 21 0.560 -7.008 1.399 1.00 0.00 C ATOM 263 O PRO A 21 0.643 -7.039 2.627 1.00 0.00 O ATOM 264 CB PRO A 21 -0.990 -5.653 -0.036 1.00 0.00 C ATOM 265 CG PRO A 21 -1.734 -4.783 0.918 1.00 0.00 C ATOM 266 CD PRO A 21 -2.626 -5.702 1.705 1.00 0.00 C ATOM 0 HA PRO A 21 -0.811 -7.850 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.032 -5.212 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.550 -5.796 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.048 -4.248 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.319 -4.032 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.764 -5.350 2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.617 -5.780 1.258 1.00 0.00 H new ATOM 274 N TYR A 22 1.622 -7.000 0.602 1.00 0.00 N ATOM 275 CA TYR A 22 2.979 -7.031 1.137 1.00 0.00 C ATOM 276 C TYR A 22 3.950 -6.316 0.201 1.00 0.00 C ATOM 277 O TYR A 22 3.561 -5.827 -0.858 1.00 0.00 O ATOM 278 CB TYR A 22 3.432 -8.476 1.352 1.00 0.00 C ATOM 279 CG TYR A 22 3.788 -9.196 0.071 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.799 -9.703 -0.762 1.00 0.00 C ATOM 281 CD2 TYR A 22 5.115 -9.370 -0.305 1.00 0.00 C ATOM 282 CE1 TYR A 22 3.121 -10.362 -1.933 1.00 0.00 C ATOM 283 CE2 TYR A 22 5.445 -10.027 -1.475 1.00 0.00 C ATOM 284 CZ TYR A 22 4.445 -10.521 -2.285 1.00 0.00 C ATOM 285 OH TYR A 22 4.769 -11.177 -3.451 1.00 0.00 O ATOM 0 H TYR A 22 1.570 -6.972 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 22 2.977 -6.511 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.297 -8.482 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.639 -9.025 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.761 -9.580 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.901 -8.985 0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.340 -10.751 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.481 -10.153 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 22 5.743 -11.202 -3.552 1.00 0.00 H new ATOM 295 N GLY A 23 5.215 -6.260 0.602 1.00 0.00 N ATOM 296 CA GLY A 23 6.223 -5.604 -0.210 1.00 0.00 C ATOM 297 C GLY A 23 6.006 -4.107 -0.305 1.00 0.00 C ATOM 298 O GLY A 23 6.739 -3.410 -1.007 1.00 0.00 O ATOM 0 H GLY A 23 5.561 -6.657 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.209 -5.799 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.214 -6.034 -1.212 1.00 0.00 H new ATOM 302 N VAL A 24 4.994 -3.611 0.399 1.00 0.00 N ATOM 303 CA VAL A 24 4.681 -2.187 0.390 1.00 0.00 C ATOM 304 C VAL A 24 5.884 -1.357 0.826 1.00 0.00 C ATOM 305 O VAL A 24 6.440 -1.570 1.905 1.00 0.00 O ATOM 306 CB VAL A 24 3.490 -1.868 1.312 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.568 -2.689 2.591 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.443 -0.380 1.626 1.00 0.00 C ATOM 0 H VAL A 24 4.376 -4.175 0.983 1.00 0.00 H new ATOM 0 HA VAL A 24 4.417 -1.928 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 24 2.570 -2.136 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.718 -2.449 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.549 -3.750 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.494 -2.456 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.595 -0.172 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.366 -0.084 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.334 0.184 0.700 1.00 0.00 H new ATOM 318 N LYS A 25 6.281 -0.412 -0.018 1.00 0.00 N ATOM 319 CA LYS A 25 7.417 0.453 0.280 1.00 0.00 C ATOM 320 C LYS A 25 7.401 1.696 -0.604 1.00 0.00 C ATOM 321 O LYS A 25 6.916 1.658 -1.735 1.00 0.00 O ATOM 322 CB LYS A 25 8.729 -0.310 0.082 1.00 0.00 C ATOM 323 CG LYS A 25 8.779 -1.111 -1.207 1.00 0.00 C ATOM 324 CD LYS A 25 9.246 -0.261 -2.376 1.00 0.00 C ATOM 325 CE LYS A 25 9.847 -1.115 -3.482 1.00 0.00 C ATOM 326 NZ LYS A 25 11.141 -1.726 -3.069 1.00 0.00 N ATOM 0 H LYS A 25 5.833 -0.225 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 25 7.340 0.768 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.557 0.399 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.878 -0.985 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.451 -1.960 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.790 -1.516 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.405 0.309 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.986 0.461 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.144 -1.902 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.001 -0.503 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.685 -1.991 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.685 -1.040 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.957 -2.574 -2.496 1.00 0.00 H new ATOM 340 N ILE A 26 7.933 2.795 -0.080 1.00 0.00 N ATOM 341 CA ILE A 26 7.981 4.048 -0.822 1.00 0.00 C ATOM 342 C ILE A 26 9.224 4.117 -1.703 1.00 0.00 C ATOM 343 O ILE A 26 10.342 4.255 -1.208 1.00 0.00 O ATOM 344 CB ILE A 26 7.969 5.264 0.123 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.038 5.004 1.310 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.541 6.515 -0.628 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.657 4.541 0.906 1.00 0.00 C ATOM 0 H ILE A 26 8.337 2.843 0.855 1.00 0.00 H new ATOM 0 HA ILE A 26 7.090 4.077 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 26 8.979 5.420 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.489 4.252 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.948 5.918 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.538 7.365 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.239 6.706 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.540 6.371 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.053 4.377 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.186 5.302 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.735 3.610 0.344 1.00 0.00 H new ATOM 359 N ILE A 27 9.020 4.021 -3.013 1.00 0.00 N ATOM 360 CA ILE A 27 10.123 4.076 -3.964 1.00 0.00 C ATOM 361 C ILE A 27 10.472 5.517 -4.320 1.00 0.00 C ATOM 362 O ILE A 27 11.644 5.875 -4.418 1.00 0.00 O ATOM 363 CB ILE A 27 9.791 3.307 -5.256 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.481 3.819 -5.859 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.703 1.813 -4.977 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.139 3.186 -7.190 1.00 0.00 C ATOM 0 H ILE A 27 8.101 3.905 -3.440 1.00 0.00 H new ATOM 0 HA ILE A 27 10.979 3.606 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 27 10.591 3.476 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.669 3.630 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.547 4.900 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.468 1.284 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.658 1.459 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.920 1.626 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.198 3.597 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.932 3.397 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.040 2.108 -7.065 1.00 0.00 H new ATOM 378 N GLU A 28 9.444 6.340 -4.508 1.00 0.00 N ATOM 379 CA GLU A 28 9.643 7.744 -4.851 1.00 0.00 C ATOM 380 C GLU A 28 9.017 8.654 -3.799 1.00 0.00 C ATOM 381 O GLU A 28 7.812 8.905 -3.816 1.00 0.00 O ATOM 382 CB GLU A 28 9.043 8.045 -6.225 1.00 0.00 C ATOM 383 CG GLU A 28 9.676 7.248 -7.354 1.00 0.00 C ATOM 384 CD GLU A 28 9.613 7.974 -8.685 1.00 0.00 C ATOM 385 OE1 GLU A 28 8.549 7.926 -9.337 1.00 0.00 O ATOM 386 OE2 GLU A 28 10.629 8.586 -9.074 1.00 0.00 O ATOM 0 H GLU A 28 8.467 6.059 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 28 10.715 7.937 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.974 7.835 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.154 9.109 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.717 7.038 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.170 6.287 -7.444 1.00 0.00 H new ATOM 393 N LEU A 29 9.845 9.147 -2.884 1.00 0.00 N ATOM 394 CA LEU A 29 9.374 10.031 -1.823 1.00 0.00 C ATOM 395 C LEU A 29 9.780 11.476 -2.097 1.00 0.00 C ATOM 396 O LEU A 29 10.920 11.750 -2.471 1.00 0.00 O ATOM 397 CB LEU A 29 9.933 9.580 -0.472 1.00 0.00 C ATOM 398 CG LEU A 29 9.364 10.287 0.759 1.00 0.00 C ATOM 399 CD1 LEU A 29 7.894 9.942 0.941 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.159 9.915 2.002 1.00 0.00 C ATOM 0 H LEU A 29 10.845 8.950 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 29 8.286 9.978 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.755 8.510 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.013 9.724 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 29 9.447 11.363 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.506 10.454 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.334 10.259 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.786 8.865 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.740 10.427 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.108 8.837 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.199 10.214 1.872 1.00 0.00 H new ATOM 412 N SER A 30 8.839 12.394 -1.907 1.00 0.00 N ATOM 413 CA SER A 30 9.097 13.811 -2.136 1.00 0.00 C ATOM 414 C SER A 30 8.832 14.623 -0.871 1.00 0.00 C ATOM 415 O SER A 30 8.451 14.074 0.162 1.00 0.00 O ATOM 416 CB SER A 30 8.227 14.333 -3.281 1.00 0.00 C ATOM 417 OG SER A 30 8.438 13.581 -4.464 1.00 0.00 O ATOM 0 H SER A 30 7.891 12.183 -1.595 1.00 0.00 H new ATOM 0 HA SER A 30 10.147 13.923 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.176 14.282 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.456 15.382 -3.467 1.00 0.00 H new ATOM 0 HG SER A 30 7.586 13.467 -4.936 1.00 0.00 H new ATOM 423 N GLN A 31 9.038 15.933 -0.962 1.00 0.00 N ATOM 424 CA GLN A 31 8.822 16.820 0.174 1.00 0.00 C ATOM 425 C GLN A 31 7.339 17.124 0.354 1.00 0.00 C ATOM 426 O GLN A 31 6.906 17.549 1.426 1.00 0.00 O ATOM 427 CB GLN A 31 9.602 18.123 -0.014 1.00 0.00 C ATOM 428 CG GLN A 31 9.553 18.662 -1.434 1.00 0.00 C ATOM 429 CD GLN A 31 10.672 18.120 -2.302 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.433 17.615 -3.399 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.903 18.222 -1.815 1.00 0.00 N ATOM 0 H GLN A 31 9.354 16.403 -1.810 1.00 0.00 H new ATOM 0 HA GLN A 31 9.182 16.315 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.204 18.876 0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.642 17.958 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.593 18.406 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.613 19.750 -1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.056 18.648 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.696 17.875 -2.355 1.00 0.00 H new ATOM 440 N THR A 32 6.562 16.904 -0.703 1.00 0.00 N ATOM 441 CA THR A 32 5.128 17.155 -0.662 1.00 0.00 C ATOM 442 C THR A 32 4.340 15.913 -1.063 1.00 0.00 C ATOM 443 O THR A 32 3.235 15.680 -0.573 1.00 0.00 O ATOM 444 CB THR A 32 4.735 18.321 -1.589 1.00 0.00 C ATOM 445 OG1 THR A 32 5.298 18.121 -2.892 1.00 0.00 O ATOM 446 CG2 THR A 32 5.213 19.648 -1.023 1.00 0.00 C ATOM 0 H THR A 32 6.903 16.552 -1.598 1.00 0.00 H new ATOM 0 HA THR A 32 4.883 17.420 0.367 1.00 0.00 H new ATOM 0 HB THR A 32 3.648 18.347 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.043 18.865 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.924 20.456 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.761 19.810 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.298 19.631 -0.922 1.00 0.00 H new ATOM 454 N THR A 33 4.916 15.116 -1.959 1.00 0.00 N ATOM 455 CA THR A 33 4.268 13.898 -2.427 1.00 0.00 C ATOM 456 C THR A 33 4.994 12.659 -1.919 1.00 0.00 C ATOM 457 O THR A 33 6.103 12.750 -1.393 1.00 0.00 O ATOM 458 CB THR A 33 4.210 13.849 -3.966 1.00 0.00 C ATOM 459 OG1 THR A 33 5.482 14.205 -4.516 1.00 0.00 O ATOM 460 CG2 THR A 33 3.139 14.791 -4.497 1.00 0.00 C ATOM 0 H THR A 33 5.830 15.293 -2.375 1.00 0.00 H new ATOM 0 HA THR A 33 3.252 13.909 -2.032 1.00 0.00 H new ATOM 0 HB THR A 33 3.958 12.832 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.437 14.170 -5.494 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.116 14.740 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.167 14.498 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.365 15.811 -4.187 1.00 0.00 H new ATOM 468 N ALA A 34 4.362 11.501 -2.077 1.00 0.00 N ATOM 469 CA ALA A 34 4.949 10.243 -1.634 1.00 0.00 C ATOM 470 C ALA A 34 4.353 9.062 -2.394 1.00 0.00 C ATOM 471 O ALA A 34 3.160 8.779 -2.286 1.00 0.00 O ATOM 472 CB ALA A 34 4.750 10.064 -0.137 1.00 0.00 C ATOM 0 H ALA A 34 3.443 11.408 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 34 6.018 10.276 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.194 9.120 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.229 10.886 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.684 10.058 0.090 1.00 0.00 H new ATOM 478 N LYS A 35 5.191 8.375 -3.164 1.00 0.00 N ATOM 479 CA LYS A 35 4.747 7.224 -3.940 1.00 0.00 C ATOM 480 C LYS A 35 4.890 5.936 -3.135 1.00 0.00 C ATOM 481 O LYS A 35 5.961 5.640 -2.604 1.00 0.00 O ATOM 482 CB LYS A 35 5.552 7.119 -5.238 1.00 0.00 C ATOM 483 CG LYS A 35 4.993 6.103 -6.220 1.00 0.00 C ATOM 484 CD LYS A 35 5.719 6.158 -7.554 1.00 0.00 C ATOM 485 CE LYS A 35 5.197 7.289 -8.427 1.00 0.00 C ATOM 486 NZ LYS A 35 6.082 7.540 -9.597 1.00 0.00 N ATOM 0 H LYS A 35 6.181 8.596 -3.267 1.00 0.00 H new ATOM 0 HA LYS A 35 3.694 7.364 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.581 8.097 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.581 6.851 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.081 5.102 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.931 6.292 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.787 6.292 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.597 5.209 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.194 7.045 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.115 8.199 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.846 8.460 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.075 7.546 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.945 6.789 -10.303 1.00 0.00 H new ATOM 500 N VAL A 36 3.805 5.173 -3.051 1.00 0.00 N ATOM 501 CA VAL A 36 3.812 3.915 -2.314 1.00 0.00 C ATOM 502 C VAL A 36 3.611 2.727 -3.249 1.00 0.00 C ATOM 503 O VAL A 36 2.546 2.565 -3.843 1.00 0.00 O ATOM 504 CB VAL A 36 2.715 3.893 -1.233 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.341 4.075 -1.862 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.778 2.599 -0.435 1.00 0.00 C ATOM 0 H VAL A 36 2.911 5.404 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 36 4.788 3.835 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 36 2.888 4.723 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.579 4.057 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.304 5.031 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.155 3.268 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.996 2.601 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.632 1.751 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.752 2.516 0.048 1.00 0.00 H new ATOM 516 N SER A 37 4.645 1.900 -3.375 1.00 0.00 N ATOM 517 CA SER A 37 4.584 0.729 -4.242 1.00 0.00 C ATOM 518 C SER A 37 4.513 -0.553 -3.418 1.00 0.00 C ATOM 519 O SER A 37 5.337 -0.782 -2.532 1.00 0.00 O ATOM 520 CB SER A 37 5.803 0.689 -5.166 1.00 0.00 C ATOM 521 OG SER A 37 5.864 -0.538 -5.874 1.00 0.00 O ATOM 0 H SER A 37 5.533 2.019 -2.888 1.00 0.00 H new ATOM 0 HA SER A 37 3.681 0.801 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.756 1.518 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.713 0.820 -4.580 1.00 0.00 H new ATOM 0 HG SER A 37 6.650 -0.539 -6.459 1.00 0.00 H new ATOM 527 N PHE A 38 3.523 -1.387 -3.717 1.00 0.00 N ATOM 528 CA PHE A 38 3.343 -2.646 -3.004 1.00 0.00 C ATOM 529 C PHE A 38 3.071 -3.788 -3.978 1.00 0.00 C ATOM 530 O PHE A 38 2.912 -3.571 -5.179 1.00 0.00 O ATOM 531 CB PHE A 38 2.190 -2.530 -2.003 1.00 0.00 C ATOM 532 CG PHE A 38 0.933 -1.963 -2.600 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.746 -0.592 -2.679 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.060 -2.800 -3.080 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.409 -0.066 -3.228 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.218 -2.280 -3.629 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.392 -0.912 -3.701 1.00 0.00 C ATOM 0 H PHE A 38 2.833 -1.214 -4.448 1.00 0.00 H new ATOM 0 HA PHE A 38 4.264 -2.863 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.975 -3.517 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.504 -1.900 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.511 0.073 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.071 -3.871 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.542 1.004 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.985 -2.943 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.297 -0.504 -4.127 1.00 0.00 H new ATOM 547 N ASN A 39 3.019 -5.008 -3.452 1.00 0.00 N ATOM 548 CA ASN A 39 2.768 -6.185 -4.275 1.00 0.00 C ATOM 549 C ASN A 39 1.421 -6.814 -3.929 1.00 0.00 C ATOM 550 O ASN A 39 0.943 -6.704 -2.799 1.00 0.00 O ATOM 551 CB ASN A 39 3.886 -7.212 -4.085 1.00 0.00 C ATOM 552 CG ASN A 39 5.236 -6.686 -4.532 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.351 -6.047 -5.579 1.00 0.00 O ATOM 554 ND2 ASN A 39 6.267 -6.954 -3.739 1.00 0.00 N ATOM 0 H ASN A 39 3.147 -5.207 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 39 2.745 -5.870 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.940 -7.496 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.646 -8.114 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.200 -6.627 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.125 -7.487 -2.881 1.00 0.00 H new ATOM 561 N LYS A 40 0.813 -7.473 -4.910 1.00 0.00 N ATOM 562 CA LYS A 40 -0.477 -8.122 -4.710 1.00 0.00 C ATOM 563 C LYS A 40 -0.456 -9.006 -3.467 1.00 0.00 C ATOM 564 O LYS A 40 0.597 -9.450 -3.010 1.00 0.00 O ATOM 565 CB LYS A 40 -0.846 -8.958 -5.938 1.00 0.00 C ATOM 566 CG LYS A 40 -1.517 -8.157 -7.040 1.00 0.00 C ATOM 567 CD LYS A 40 -2.441 -9.026 -7.876 1.00 0.00 C ATOM 568 CE LYS A 40 -2.729 -8.392 -9.229 1.00 0.00 C ATOM 569 NZ LYS A 40 -1.555 -8.471 -10.141 1.00 0.00 N ATOM 0 H LYS A 40 1.193 -7.572 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.228 -7.345 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.057 -9.422 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.511 -9.765 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.085 -7.337 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.757 -7.710 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.987 -10.006 -8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.377 -9.184 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.581 -8.892 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.010 -7.348 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.858 -8.267 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.840 -7.775 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.146 -9.426 -10.098 1.00 0.00 H new ATOM 583 N PRO A 41 -1.646 -9.268 -2.907 1.00 0.00 N ATOM 584 CA PRO A 41 -1.791 -10.103 -1.711 1.00 0.00 C ATOM 585 C PRO A 41 -1.488 -11.571 -1.988 1.00 0.00 C ATOM 586 O PRO A 41 -1.861 -12.105 -3.032 1.00 0.00 O ATOM 587 CB PRO A 41 -3.262 -9.924 -1.329 1.00 0.00 C ATOM 588 CG PRO A 41 -3.944 -9.564 -2.603 1.00 0.00 C ATOM 589 CD PRO A 41 -2.942 -8.771 -3.398 1.00 0.00 C ATOM 0 HA PRO A 41 -1.094 -9.813 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.675 -10.839 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.384 -9.142 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.254 -10.457 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.843 -8.978 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.057 -8.938 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.052 -7.700 -3.229 1.00 0.00 H new ATOM 597 N ASP A 42 -0.810 -12.218 -1.047 1.00 0.00 N ATOM 598 CA ASP A 42 -0.457 -13.627 -1.190 1.00 0.00 C ATOM 599 C ASP A 42 -1.676 -14.454 -1.585 1.00 0.00 C ATOM 600 O ASP A 42 -1.544 -15.573 -2.081 1.00 0.00 O ATOM 601 CB ASP A 42 0.135 -14.161 0.116 1.00 0.00 C ATOM 602 CG ASP A 42 -0.831 -14.050 1.279 1.00 0.00 C ATOM 603 OD1 ASP A 42 -1.220 -12.913 1.621 1.00 0.00 O ATOM 604 OD2 ASP A 42 -1.200 -15.099 1.845 1.00 0.00 O ATOM 0 H ASP A 42 -0.493 -11.790 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 42 0.289 -13.712 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.419 -15.205 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.046 -13.610 0.350 1.00 0.00 H new ATOM 609 N SER A 43 -2.861 -13.896 -1.363 1.00 0.00 N ATOM 610 CA SER A 43 -4.104 -14.585 -1.692 1.00 0.00 C ATOM 611 C SER A 43 -5.250 -13.590 -1.855 1.00 0.00 C ATOM 612 O SER A 43 -5.162 -12.445 -1.409 1.00 0.00 O ATOM 613 CB SER A 43 -4.450 -15.605 -0.606 1.00 0.00 C ATOM 614 OG SER A 43 -3.280 -16.215 -0.088 1.00 0.00 O ATOM 0 H SER A 43 -2.987 -12.969 -0.957 1.00 0.00 H new ATOM 0 HA SER A 43 -3.961 -15.107 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.994 -15.113 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.111 -16.368 -1.017 1.00 0.00 H new ATOM 0 HG SER A 43 -2.865 -15.620 0.571 1.00 0.00 H new ATOM 620 N HIS A 44 -6.325 -14.035 -2.496 1.00 0.00 N ATOM 621 CA HIS A 44 -7.490 -13.185 -2.718 1.00 0.00 C ATOM 622 C HIS A 44 -8.729 -13.777 -2.052 1.00 0.00 C ATOM 623 O HIS A 44 -8.818 -14.987 -1.847 1.00 0.00 O ATOM 624 CB HIS A 44 -7.738 -13.003 -4.215 1.00 0.00 C ATOM 625 CG HIS A 44 -8.161 -14.263 -4.909 1.00 0.00 C ATOM 626 ND1 HIS A 44 -9.410 -14.823 -4.754 1.00 0.00 N ATOM 627 CD2 HIS A 44 -7.492 -15.068 -5.766 1.00 0.00 C ATOM 628 CE1 HIS A 44 -9.492 -15.921 -5.485 1.00 0.00 C ATOM 629 NE2 HIS A 44 -8.340 -16.092 -6.109 1.00 0.00 N ATOM 0 H HIS A 44 -6.414 -14.979 -2.871 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.289 -12.211 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.506 -12.243 -4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.828 -12.628 -4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.479 -14.931 -6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.354 -16.568 -5.560 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.117 -16.860 -6.742 1.00 0.00 H new ATOM 638 N GLY A 45 -9.684 -12.915 -1.717 1.00 0.00 N ATOM 639 CA GLY A 45 -10.905 -13.371 -1.078 1.00 0.00 C ATOM 640 C GLY A 45 -11.864 -14.019 -2.057 1.00 0.00 C ATOM 641 O GLY A 45 -13.019 -13.610 -2.169 1.00 0.00 O ATOM 0 H GLY A 45 -9.634 -11.909 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.656 -14.084 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.397 -12.526 -0.597 1.00 0.00 H new ATOM 645 N GLY A 46 -11.384 -15.035 -2.769 1.00 0.00 N ATOM 646 CA GLY A 46 -12.220 -15.723 -3.735 1.00 0.00 C ATOM 647 C GLY A 46 -12.457 -14.902 -4.987 1.00 0.00 C ATOM 648 O GLY A 46 -12.076 -15.308 -6.085 1.00 0.00 O ATOM 0 H GLY A 46 -10.432 -15.393 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.751 -16.669 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.179 -15.963 -3.275 1.00 0.00 H new ATOM 652 N VAL A 47 -13.088 -13.744 -4.823 1.00 0.00 N ATOM 653 CA VAL A 47 -13.375 -12.864 -5.950 1.00 0.00 C ATOM 654 C VAL A 47 -12.163 -12.008 -6.301 1.00 0.00 C ATOM 655 O VAL A 47 -11.302 -11.734 -5.464 1.00 0.00 O ATOM 656 CB VAL A 47 -14.572 -11.942 -5.650 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.880 -12.703 -5.793 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.445 -11.339 -4.259 1.00 0.00 C ATOM 0 H VAL A 47 -13.410 -13.393 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.622 -13.504 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.572 -11.128 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.715 -12.036 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.971 -13.081 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.893 -13.539 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.299 -10.691 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.419 -12.137 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.526 -10.756 -4.198 1.00 0.00 H new ATOM 668 N PRO A 48 -12.092 -11.574 -7.568 1.00 0.00 N ATOM 669 CA PRO A 48 -10.991 -10.740 -8.059 1.00 0.00 C ATOM 670 C PRO A 48 -11.024 -9.332 -7.475 1.00 0.00 C ATOM 671 O PRO A 48 -12.038 -8.639 -7.559 1.00 0.00 O ATOM 672 CB PRO A 48 -11.226 -10.698 -9.571 1.00 0.00 C ATOM 673 CG PRO A 48 -12.688 -10.935 -9.735 1.00 0.00 C ATOM 674 CD PRO A 48 -13.083 -11.862 -8.618 1.00 0.00 C ATOM 0 HA PRO A 48 -10.018 -11.141 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.932 -9.736 -9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.641 -11.462 -10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.244 -9.999 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.905 -11.379 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.099 -11.668 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.046 -12.906 -8.930 1.00 0.00 H new ATOM 682 N ILE A 49 -9.909 -8.916 -6.884 1.00 0.00 N ATOM 683 CA ILE A 49 -9.810 -7.590 -6.288 1.00 0.00 C ATOM 684 C ILE A 49 -10.200 -6.507 -7.288 1.00 0.00 C ATOM 685 O ILE A 49 -9.909 -6.613 -8.480 1.00 0.00 O ATOM 686 CB ILE A 49 -8.387 -7.308 -5.772 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.037 -8.264 -4.631 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.265 -5.862 -5.315 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.550 -8.380 -4.373 1.00 0.00 C ATOM 0 H ILE A 49 -9.062 -9.478 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.503 -7.571 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.682 -7.471 -6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.530 -7.925 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.436 -9.252 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.253 -5.679 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.477 -5.197 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.977 -5.673 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.376 -9.074 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.053 -8.748 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.149 -7.401 -4.112 1.00 0.00 H new ATOM 701 N HIS A 50 -10.859 -5.463 -6.796 1.00 0.00 N ATOM 702 CA HIS A 50 -11.286 -4.358 -7.647 1.00 0.00 C ATOM 703 C HIS A 50 -10.310 -3.190 -7.552 1.00 0.00 C ATOM 704 O HIS A 50 -9.875 -2.646 -8.567 1.00 0.00 O ATOM 705 CB HIS A 50 -12.691 -3.897 -7.254 1.00 0.00 C ATOM 706 CG HIS A 50 -13.443 -3.247 -8.374 1.00 0.00 C ATOM 707 ND1 HIS A 50 -14.408 -2.283 -8.172 1.00 0.00 N ATOM 708 CD2 HIS A 50 -13.367 -3.426 -9.713 1.00 0.00 C ATOM 709 CE1 HIS A 50 -14.894 -1.898 -9.339 1.00 0.00 C ATOM 710 NE2 HIS A 50 -14.278 -2.577 -10.291 1.00 0.00 N ATOM 0 H HIS A 50 -11.109 -5.359 -5.813 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.302 -4.712 -8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.259 -4.755 -6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.615 -3.196 -6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.711 -4.110 -10.231 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.663 -1.155 -9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.451 -2.485 -11.292 1.00 0.00 H new ATOM 719 N HIS A 51 -9.970 -2.807 -6.325 1.00 0.00 N ATOM 720 CA HIS A 51 -9.044 -1.703 -6.097 1.00 0.00 C ATOM 721 C HIS A 51 -8.423 -1.792 -4.707 1.00 0.00 C ATOM 722 O HIS A 51 -8.779 -2.662 -3.912 1.00 0.00 O ATOM 723 CB HIS A 51 -9.764 -0.365 -6.261 1.00 0.00 C ATOM 724 CG HIS A 51 -10.786 -0.100 -5.199 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.009 -0.734 -5.157 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.760 0.736 -4.134 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.693 -0.300 -4.113 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.957 0.593 -3.475 1.00 0.00 N ATOM 0 H HIS A 51 -10.322 -3.245 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.246 -1.772 -6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.027 0.438 -6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.251 -0.341 -7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.949 1.393 -3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.685 -0.621 -3.829 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.233 1.095 -2.631 1.00 0.00 H new ATOM 737 N TYR A 52 -7.491 -0.889 -4.421 1.00 0.00 N ATOM 738 CA TYR A 52 -6.818 -0.869 -3.128 1.00 0.00 C ATOM 739 C TYR A 52 -7.162 0.401 -2.355 1.00 0.00 C ATOM 740 O TYR A 52 -7.203 1.493 -2.922 1.00 0.00 O ATOM 741 CB TYR A 52 -5.303 -0.970 -3.317 1.00 0.00 C ATOM 742 CG TYR A 52 -4.850 -2.301 -3.874 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.868 -2.547 -5.242 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.404 -3.313 -3.033 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.455 -3.761 -5.754 1.00 0.00 C ATOM 746 CE2 TYR A 52 -3.988 -4.530 -3.537 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.016 -4.749 -4.899 1.00 0.00 C ATOM 748 OH TYR A 52 -3.603 -5.960 -5.406 1.00 0.00 O ATOM 0 H TYR A 52 -7.185 -0.162 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.164 -1.728 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.975 -0.175 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.814 -0.801 -2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.211 -1.776 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.382 -3.145 -1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.476 -3.936 -6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.643 -5.305 -2.869 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.701 -5.957 -6.381 1.00 0.00 H new ATOM 758 N GLN A 53 -7.407 0.248 -1.058 1.00 0.00 N ATOM 759 CA GLN A 53 -7.747 1.382 -0.206 1.00 0.00 C ATOM 760 C GLN A 53 -6.538 1.837 0.603 1.00 0.00 C ATOM 761 O GLN A 53 -6.015 1.090 1.431 1.00 0.00 O ATOM 762 CB GLN A 53 -8.897 1.013 0.734 1.00 0.00 C ATOM 763 CG GLN A 53 -9.649 2.218 1.275 1.00 0.00 C ATOM 764 CD GLN A 53 -11.061 1.877 1.708 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.737 1.065 1.076 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.515 2.497 2.791 1.00 0.00 N ATOM 0 H GLN A 53 -7.377 -0.649 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.061 2.205 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.596 0.367 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.501 0.436 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.103 2.632 2.123 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.685 2.993 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.920 3.163 3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.458 2.307 3.129 1.00 0.00 H new ATOM 775 N VAL A 54 -6.096 3.067 0.358 1.00 0.00 N ATOM 776 CA VAL A 54 -4.948 3.622 1.065 1.00 0.00 C ATOM 777 C VAL A 54 -5.377 4.717 2.035 1.00 0.00 C ATOM 778 O VAL A 54 -6.157 5.601 1.684 1.00 0.00 O ATOM 779 CB VAL A 54 -3.911 4.199 0.084 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.677 4.679 0.832 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.538 3.163 -0.967 1.00 0.00 C ATOM 0 H VAL A 54 -6.516 3.698 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.494 2.803 1.623 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.354 5.056 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.956 5.083 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.961 5.455 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.229 3.843 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.804 3.588 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.114 2.286 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.429 2.873 -1.524 1.00 0.00 H new ATOM 791 N ASP A 55 -4.863 4.650 3.258 1.00 0.00 N ATOM 792 CA ASP A 55 -5.191 5.637 4.281 1.00 0.00 C ATOM 793 C ASP A 55 -3.925 6.247 4.873 1.00 0.00 C ATOM 794 O ASP A 55 -3.146 5.564 5.538 1.00 0.00 O ATOM 795 CB ASP A 55 -6.029 4.996 5.387 1.00 0.00 C ATOM 796 CG ASP A 55 -6.962 5.988 6.054 1.00 0.00 C ATOM 797 OD1 ASP A 55 -7.018 7.150 5.599 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.638 5.601 7.031 1.00 0.00 O ATOM 0 H ASP A 55 -4.217 3.923 3.566 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.770 6.432 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.613 4.177 4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.366 4.564 6.137 1.00 0.00 H new ATOM 803 N VAL A 56 -3.724 7.537 4.627 1.00 0.00 N ATOM 804 CA VAL A 56 -2.552 8.240 5.137 1.00 0.00 C ATOM 805 C VAL A 56 -2.956 9.386 6.058 1.00 0.00 C ATOM 806 O VAL A 56 -4.002 10.008 5.872 1.00 0.00 O ATOM 807 CB VAL A 56 -1.689 8.798 3.988 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.417 9.927 3.274 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.342 9.269 4.516 1.00 0.00 C ATOM 0 H VAL A 56 -4.358 8.117 4.077 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.967 7.514 5.701 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.512 8.000 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.793 10.309 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.354 9.553 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.626 10.730 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.255 9.660 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.496 10.053 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.181 8.431 4.978 1.00 0.00 H new ATOM 819 N LYS A 57 -2.118 9.661 7.052 1.00 0.00 N ATOM 820 CA LYS A 57 -2.386 10.735 8.002 1.00 0.00 C ATOM 821 C LYS A 57 -1.158 11.018 8.862 1.00 0.00 C ATOM 822 O LYS A 57 -0.329 10.136 9.086 1.00 0.00 O ATOM 823 CB LYS A 57 -3.573 10.368 8.896 1.00 0.00 C ATOM 824 CG LYS A 57 -3.646 11.184 10.175 1.00 0.00 C ATOM 825 CD LYS A 57 -4.697 10.636 11.126 1.00 0.00 C ATOM 826 CE LYS A 57 -4.183 9.425 11.887 1.00 0.00 C ATOM 827 NZ LYS A 57 -2.874 9.697 12.544 1.00 0.00 N ATOM 0 H LYS A 57 -1.248 9.156 7.221 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.629 11.635 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.497 10.506 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.511 9.310 9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.673 11.181 10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.878 12.221 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.991 11.413 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.590 10.362 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.914 9.133 12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.078 8.584 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.726 9.018 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.109 9.600 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.872 10.664 12.927 1.00 0.00 H new ATOM 841 N GLU A 58 -1.049 12.253 9.341 1.00 0.00 N ATOM 842 CA GLU A 58 0.078 12.650 10.177 1.00 0.00 C ATOM 843 C GLU A 58 0.051 11.915 11.513 1.00 0.00 C ATOM 844 O GLU A 58 -1.010 11.720 12.106 1.00 0.00 O ATOM 845 CB GLU A 58 0.058 14.162 10.414 1.00 0.00 C ATOM 846 CG GLU A 58 0.813 14.953 9.359 1.00 0.00 C ATOM 847 CD GLU A 58 0.394 16.410 9.311 1.00 0.00 C ATOM 848 OE1 GLU A 58 0.870 17.192 10.161 1.00 0.00 O ATOM 849 OE2 GLU A 58 -0.409 16.768 8.424 1.00 0.00 O ATOM 0 H GLU A 58 -1.726 12.995 9.165 1.00 0.00 H new ATOM 0 HA GLU A 58 0.996 12.383 9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.977 14.503 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.489 14.374 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.882 14.893 9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.647 14.499 8.382 1.00 0.00 H new ATOM 856 N VAL A 59 1.226 11.506 11.982 1.00 0.00 N ATOM 857 CA VAL A 59 1.337 10.793 13.248 1.00 0.00 C ATOM 858 C VAL A 59 0.814 11.638 14.404 1.00 0.00 C ATOM 859 O VAL A 59 0.607 11.138 15.508 1.00 0.00 O ATOM 860 CB VAL A 59 2.795 10.391 13.539 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.725 11.581 13.353 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.921 9.822 14.944 1.00 0.00 C ATOM 0 H VAL A 59 2.114 11.657 11.504 1.00 0.00 H new ATOM 0 HA VAL A 59 0.730 9.892 13.158 1.00 0.00 H new ATOM 0 HB VAL A 59 3.088 9.617 12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.751 11.278 13.563 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.656 11.940 12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.436 12.379 14.037 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.958 9.543 15.132 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.610 10.573 15.670 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.286 8.941 15.038 1.00 0.00 H new ATOM 872 N ALA A 60 0.603 12.924 14.141 1.00 0.00 N ATOM 873 CA ALA A 60 0.101 13.839 15.158 1.00 0.00 C ATOM 874 C ALA A 60 -1.370 14.164 14.927 1.00 0.00 C ATOM 875 O ALA A 60 -2.115 14.422 15.872 1.00 0.00 O ATOM 876 CB ALA A 60 0.929 15.115 15.174 1.00 0.00 C ATOM 0 H ALA A 60 0.772 13.355 13.232 1.00 0.00 H new ATOM 0 HA ALA A 60 0.189 13.349 16.128 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.543 15.790 15.938 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.968 14.872 15.396 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.870 15.599 14.199 1.00 0.00 H new ATOM 882 N SER A 61 -1.783 14.150 13.664 1.00 0.00 N ATOM 883 CA SER A 61 -3.166 14.448 13.308 1.00 0.00 C ATOM 884 C SER A 61 -4.066 13.245 13.572 1.00 0.00 C ATOM 885 O SER A 61 -3.590 12.117 13.699 1.00 0.00 O ATOM 886 CB SER A 61 -3.260 14.856 11.836 1.00 0.00 C ATOM 887 OG SER A 61 -4.430 15.615 11.591 1.00 0.00 O ATOM 0 H SER A 61 -1.180 13.936 12.870 1.00 0.00 H new ATOM 0 HA SER A 61 -3.504 15.277 13.930 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.381 15.438 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.263 13.965 11.208 1.00 0.00 H new ATOM 0 HG SER A 61 -4.466 15.865 10.644 1.00 0.00 H new ATOM 893 N GLU A 62 -5.369 13.495 13.654 1.00 0.00 N ATOM 894 CA GLU A 62 -6.336 12.433 13.904 1.00 0.00 C ATOM 895 C GLU A 62 -7.307 12.295 12.735 1.00 0.00 C ATOM 896 O GLU A 62 -8.382 11.712 12.874 1.00 0.00 O ATOM 897 CB GLU A 62 -7.110 12.712 15.194 1.00 0.00 C ATOM 898 CG GLU A 62 -7.716 11.467 15.821 1.00 0.00 C ATOM 899 CD GLU A 62 -8.022 11.647 17.295 1.00 0.00 C ATOM 900 OE1 GLU A 62 -9.112 12.167 17.616 1.00 0.00 O ATOM 901 OE2 GLU A 62 -7.174 11.267 18.129 1.00 0.00 O ATOM 0 H GLU A 62 -5.779 14.423 13.551 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.789 11.496 14.012 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.441 13.183 15.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.906 13.427 14.983 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.633 11.208 15.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.029 10.630 15.696 1.00 0.00 H new ATOM 908 N ILE A 63 -6.918 12.834 11.584 1.00 0.00 N ATOM 909 CA ILE A 63 -7.754 12.770 10.392 1.00 0.00 C ATOM 910 C ILE A 63 -7.154 11.831 9.350 1.00 0.00 C ATOM 911 O ILE A 63 -6.064 12.076 8.835 1.00 0.00 O ATOM 912 CB ILE A 63 -7.943 14.163 9.762 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.605 15.114 10.762 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.773 14.062 8.491 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.486 16.572 10.380 1.00 0.00 C ATOM 0 H ILE A 63 -6.030 13.319 11.452 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.725 12.387 10.707 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.963 14.563 9.502 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.660 14.856 10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.155 14.966 11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.898 15.055 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.266 13.415 7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.751 13.644 8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.978 17.187 11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.433 16.847 10.318 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.961 16.735 9.413 1.00 0.00 H new ATOM 927 N TRP A 64 -7.875 10.758 9.046 1.00 0.00 N ATOM 928 CA TRP A 64 -7.414 9.783 8.063 1.00 0.00 C ATOM 929 C TRP A 64 -7.915 10.138 6.668 1.00 0.00 C ATOM 930 O TRP A 64 -9.113 10.328 6.456 1.00 0.00 O ATOM 931 CB TRP A 64 -7.888 8.380 8.447 1.00 0.00 C ATOM 932 CG TRP A 64 -7.100 7.773 9.568 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.418 7.791 10.896 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.863 7.062 9.459 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.452 7.133 11.619 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.487 6.675 10.760 1.00 0.00 C ATOM 937 CE3 TRP A 64 -5.035 6.711 8.388 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.322 5.958 11.017 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.879 6.000 8.645 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.531 5.629 9.950 1.00 0.00 C ATOM 0 H TRP A 64 -8.779 10.541 9.465 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.324 9.801 8.052 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.939 8.425 8.734 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.823 7.731 7.574 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.299 8.254 11.316 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.453 7.006 12.631 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.295 6.991 7.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.052 5.672 12.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.232 5.725 7.825 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.621 5.072 10.117 1.00 0.00 H new ATOM 951 N LYS A 65 -6.991 10.226 5.717 1.00 0.00 N ATOM 952 CA LYS A 65 -7.338 10.555 4.340 1.00 0.00 C ATOM 953 C LYS A 65 -7.338 9.307 3.464 1.00 0.00 C ATOM 954 O LYS A 65 -6.342 8.586 3.394 1.00 0.00 O ATOM 955 CB LYS A 65 -6.356 11.586 3.778 1.00 0.00 C ATOM 956 CG LYS A 65 -6.784 13.025 4.009 1.00 0.00 C ATOM 957 CD LYS A 65 -7.637 13.544 2.863 1.00 0.00 C ATOM 958 CE LYS A 65 -7.720 15.062 2.873 1.00 0.00 C ATOM 959 NZ LYS A 65 -8.998 15.552 2.286 1.00 0.00 N ATOM 0 H LYS A 65 -5.995 10.074 5.875 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.342 10.978 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.378 11.429 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.240 11.418 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.345 13.094 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.901 13.655 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.218 13.208 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.640 13.123 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.629 15.424 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.881 15.475 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.016 16.592 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.074 15.228 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.798 15.179 2.836 1.00 0.00 H new ATOM 973 N ILE A 66 -8.460 9.058 2.796 1.00 0.00 N ATOM 974 CA ILE A 66 -8.587 7.898 1.923 1.00 0.00 C ATOM 975 C ILE A 66 -8.313 8.271 0.470 1.00 0.00 C ATOM 976 O ILE A 66 -8.899 9.214 -0.062 1.00 0.00 O ATOM 977 CB ILE A 66 -9.989 7.269 2.024 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.219 6.707 3.429 1.00 0.00 C ATOM 979 CG2 ILE A 66 -10.156 6.178 0.976 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.339 5.522 3.757 1.00 0.00 C ATOM 0 H ILE A 66 -9.293 9.644 2.843 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.846 7.170 2.255 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.734 8.042 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.041 7.495 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.264 6.412 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -11.152 5.743 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -10.029 6.606 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.406 5.403 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.556 5.176 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.534 4.717 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.292 5.817 3.692 1.00 0.00 H new ATOM 992 N VAL A 67 -7.418 7.523 -0.169 1.00 0.00 N ATOM 993 CA VAL A 67 -7.069 7.772 -1.562 1.00 0.00 C ATOM 994 C VAL A 67 -7.168 6.496 -2.391 1.00 0.00 C ATOM 995 O VAL A 67 -6.340 5.594 -2.261 1.00 0.00 O ATOM 996 CB VAL A 67 -5.644 8.344 -1.689 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.273 8.534 -3.152 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.528 9.655 -0.926 1.00 0.00 C ATOM 0 H VAL A 67 -6.922 6.740 0.257 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.782 8.504 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.944 7.632 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.263 8.939 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.315 7.574 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.974 9.226 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.515 10.046 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.237 10.376 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.748 9.484 0.128 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.186 6.428 -3.242 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.394 5.261 -4.092 1.00 0.00 C ATOM 1010 C ARG A 68 -7.607 5.390 -5.394 1.00 0.00 C ATOM 1011 O ARG A 68 -7.327 6.496 -5.854 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.882 5.086 -4.399 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.669 4.458 -3.260 1.00 0.00 C ATOM 1014 CD ARG A 68 -12.166 4.653 -3.442 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.750 3.629 -4.304 1.00 0.00 N ATOM 1016 CZ ARG A 68 -12.746 3.695 -5.630 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -12.190 4.730 -6.244 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -13.299 2.723 -6.346 1.00 0.00 N ATOM 0 H ARG A 68 -8.879 7.166 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.035 4.383 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.313 6.059 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.990 4.466 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.444 3.393 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.356 4.899 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.656 4.630 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.354 5.638 -3.870 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.185 2.819 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.764 5.478 -5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.188 4.778 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.727 1.925 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.295 2.775 -7.365 1.00 0.00 H new ATOM 1032 N SER A 69 -7.254 4.251 -5.981 1.00 0.00 N ATOM 1033 CA SER A 69 -6.497 4.236 -7.227 1.00 0.00 C ATOM 1034 C SER A 69 -7.432 4.219 -8.431 1.00 0.00 C ATOM 1035 O SER A 69 -8.651 4.119 -8.284 1.00 0.00 O ATOM 1036 CB SER A 69 -5.569 3.020 -7.269 1.00 0.00 C ATOM 1037 OG SER A 69 -6.273 1.856 -7.667 1.00 0.00 O ATOM 0 H SER A 69 -7.480 3.327 -5.614 1.00 0.00 H new ATOM 0 HA SER A 69 -5.896 5.144 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.749 3.208 -7.962 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.126 2.863 -6.286 1.00 0.00 H new ATOM 0 HG SER A 69 -6.127 1.696 -8.623 1.00 0.00 H new ATOM 1043 N HIS A 70 -6.853 4.317 -9.624 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.634 4.312 -10.856 1.00 0.00 C ATOM 1045 C HIS A 70 -7.596 2.938 -11.518 1.00 0.00 C ATOM 1046 O HIS A 70 -7.453 2.828 -12.735 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.106 5.372 -11.823 1.00 0.00 C ATOM 1048 CG HIS A 70 -7.624 6.750 -11.543 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.881 7.172 -11.922 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -7.048 7.802 -10.916 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -9.055 8.426 -11.542 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -7.957 8.831 -10.929 1.00 0.00 N ATOM 0 H HIS A 70 -5.846 4.401 -9.763 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.668 4.545 -10.603 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.017 5.385 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.377 5.091 -12.841 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.058 7.827 -10.486 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.943 9.018 -11.705 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.809 9.758 -10.530 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.725 1.892 -10.707 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.701 0.539 -11.232 1.00 0.00 C ATOM 1063 C GLY A 71 -7.147 -0.459 -10.237 1.00 0.00 C ATOM 1064 O GLY A 71 -7.081 -0.182 -9.039 1.00 0.00 O ATOM 0 H GLY A 71 -7.846 1.957 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.712 0.244 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.098 0.515 -12.140 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.748 -1.628 -10.732 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.198 -2.672 -9.877 1.00 0.00 C ATOM 1070 C VAL A 72 -4.685 -2.531 -9.742 1.00 0.00 C ATOM 1071 O VAL A 72 -3.977 -3.515 -9.534 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.524 -4.075 -10.423 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.025 -4.320 -10.400 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -5.970 -4.240 -11.830 1.00 0.00 C ATOM 0 H VAL A 72 -6.796 -1.874 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.661 -2.555 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.049 -4.816 -9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.237 -5.316 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.390 -4.245 -9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.525 -3.575 -11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.209 -5.237 -12.201 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.415 -3.492 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.888 -4.109 -11.813 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.198 -1.300 -9.863 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.769 -1.030 -9.754 1.00 0.00 C ATOM 1086 C GLN A 73 -2.316 -1.070 -8.299 1.00 0.00 C ATOM 1087 O GLN A 73 -3.090 -0.774 -7.388 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.438 0.331 -10.368 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.158 1.491 -9.698 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.390 2.656 -10.640 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -4.304 2.630 -11.466 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -2.561 3.687 -10.522 1.00 0.00 N ATOM 0 H GLN A 73 -4.771 -0.474 -10.036 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.235 -1.807 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.362 0.497 -10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.697 0.316 -11.427 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.117 1.144 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.574 1.831 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.818 3.666 -9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.668 4.499 -11.129 1.00 0.00 H new ATOM 1101 N THR A 74 -1.057 -1.438 -8.085 1.00 0.00 N ATOM 1102 CA THR A 74 -0.501 -1.517 -6.741 1.00 0.00 C ATOM 1103 C THR A 74 0.435 -0.347 -6.462 1.00 0.00 C ATOM 1104 O THR A 74 1.253 -0.400 -5.544 1.00 0.00 O ATOM 1105 CB THR A 74 0.266 -2.836 -6.526 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.181 -3.050 -7.606 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.695 -4.011 -6.428 1.00 0.00 C ATOM 0 H THR A 74 -0.403 -1.686 -8.827 1.00 0.00 H new ATOM 0 HA THR A 74 -1.343 -1.478 -6.049 1.00 0.00 H new ATOM 0 HB THR A 74 0.819 -2.762 -5.590 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.061 -3.290 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.131 -4.931 -6.276 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.372 -3.858 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.272 -4.087 -7.350 1.00 0.00 H new ATOM 1115 N MET A 75 0.309 0.709 -7.260 1.00 0.00 N ATOM 1116 CA MET A 75 1.145 1.892 -7.097 1.00 0.00 C ATOM 1117 C MET A 75 0.297 3.160 -7.104 1.00 0.00 C ATOM 1118 O MET A 75 -0.530 3.361 -7.994 1.00 0.00 O ATOM 1119 CB MET A 75 2.193 1.960 -8.209 1.00 0.00 C ATOM 1120 CG MET A 75 3.378 2.851 -7.873 1.00 0.00 C ATOM 1121 SD MET A 75 4.856 2.423 -8.815 1.00 0.00 S ATOM 1122 CE MET A 75 4.927 3.788 -9.972 1.00 0.00 C ATOM 0 H MET A 75 -0.363 0.769 -8.025 1.00 0.00 H new ATOM 0 HA MET A 75 1.652 1.819 -6.135 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.554 0.953 -8.419 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.721 2.326 -9.121 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.114 3.890 -8.070 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.595 2.774 -6.808 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.638 3.440 -10.964 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.244 4.574 -9.650 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.943 4.182 -10.008 1.00 0.00 H new ATOM 1132 N VAL A 76 0.508 4.013 -6.106 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.237 5.262 -5.999 1.00 0.00 C ATOM 1134 C VAL A 76 0.622 6.363 -5.388 1.00 0.00 C ATOM 1135 O VAL A 76 1.404 6.118 -4.469 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.508 5.086 -5.147 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.154 6.434 -4.867 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.487 4.150 -5.839 1.00 0.00 C ATOM 0 H VAL A 76 1.188 3.862 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.523 5.548 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.226 4.640 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.050 6.290 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.452 7.069 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.424 6.911 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.379 4.037 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.765 4.565 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.019 3.176 -5.983 1.00 0.00 H new ATOM 1148 N VAL A 77 0.472 7.579 -5.904 1.00 0.00 N ATOM 1149 CA VAL A 77 1.234 8.719 -5.408 1.00 0.00 C ATOM 1150 C VAL A 77 0.367 9.623 -4.539 1.00 0.00 C ATOM 1151 O VAL A 77 -0.756 9.971 -4.910 1.00 0.00 O ATOM 1152 CB VAL A 77 1.820 9.549 -6.566 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.780 10.519 -7.108 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.067 10.292 -6.111 1.00 0.00 C ATOM 0 H VAL A 77 -0.170 7.800 -6.665 1.00 0.00 H new ATOM 0 HA VAL A 77 2.051 8.317 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 77 2.102 8.870 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.212 11.097 -7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.082 9.961 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.464 11.195 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.468 10.873 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.812 10.961 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.816 9.575 -5.776 1.00 0.00 H new ATOM 1164 N LEU A 78 0.893 10.000 -3.378 1.00 0.00 N ATOM 1165 CA LEU A 78 0.167 10.865 -2.454 1.00 0.00 C ATOM 1166 C LEU A 78 0.560 12.325 -2.652 1.00 0.00 C ATOM 1167 O LEU A 78 1.678 12.627 -3.068 1.00 0.00 O ATOM 1168 CB LEU A 78 0.440 10.443 -1.010 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.053 9.051 -0.612 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.417 8.699 0.791 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.571 8.977 -0.703 1.00 0.00 C ATOM 0 H LEU A 78 1.819 9.720 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.898 10.764 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.515 10.489 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.022 11.174 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 78 0.369 8.324 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.057 7.705 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.506 8.711 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.025 9.429 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.904 7.980 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.012 9.714 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.885 9.184 -1.726 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.367 13.228 -2.350 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.116 14.658 -2.493 1.00 0.00 C ATOM 1185 C ASN A 79 -0.752 15.438 -1.347 1.00 0.00 C ATOM 1186 O ASN A 79 -1.457 14.873 -0.512 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.661 15.161 -3.831 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.875 14.378 -4.292 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -2.022 14.080 -5.478 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -2.752 14.041 -3.354 1.00 0.00 N ATOM 0 H ASN A 79 -1.298 12.995 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 79 0.962 14.818 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.925 16.215 -3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.121 15.093 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.589 13.514 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.589 14.309 -2.384 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.498 16.743 -1.314 1.00 0.00 N ATOM 1198 CA ASN A 80 -1.045 17.602 -0.271 1.00 0.00 C ATOM 1199 C ASN A 80 -0.438 17.264 1.088 1.00 0.00 C ATOM 1200 O ASN A 80 -1.157 17.057 2.067 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.568 17.461 -0.211 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.217 18.547 0.624 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -2.652 19.626 0.808 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -4.411 18.268 1.134 1.00 0.00 N ATOM 0 H ASN A 80 0.083 17.228 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.791 18.633 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.973 17.493 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.824 16.486 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.897 18.961 1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.842 17.361 0.956 1.00 0.00 H new ATOM 1211 N LEU A 81 0.888 17.209 1.140 1.00 0.00 N ATOM 1212 CA LEU A 81 1.592 16.895 2.378 1.00 0.00 C ATOM 1213 C LEU A 81 2.629 17.966 2.700 1.00 0.00 C ATOM 1214 O LEU A 81 3.105 18.670 1.809 1.00 0.00 O ATOM 1215 CB LEU A 81 2.271 15.529 2.270 1.00 0.00 C ATOM 1216 CG LEU A 81 1.444 14.418 1.620 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.342 13.275 1.175 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.376 13.917 2.581 1.00 0.00 C ATOM 0 H LEU A 81 1.497 17.378 0.339 1.00 0.00 H new ATOM 0 HA LEU A 81 0.861 16.867 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.193 15.648 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.553 15.206 3.272 1.00 0.00 H new ATOM 0 HG LEU A 81 0.949 14.827 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.736 12.494 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.069 13.644 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.866 12.866 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.203 13.127 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.851 13.525 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.286 14.740 2.850 1.00 0.00 H new ATOM 1230 N GLU A 82 2.976 18.081 3.978 1.00 0.00 N ATOM 1231 CA GLU A 82 3.958 19.067 4.417 1.00 0.00 C ATOM 1232 C GLU A 82 5.352 18.452 4.484 1.00 0.00 C ATOM 1233 O GLU A 82 5.530 17.292 4.857 1.00 0.00 O ATOM 1234 CB GLU A 82 3.571 19.630 5.785 1.00 0.00 C ATOM 1235 CG GLU A 82 2.229 20.342 5.794 1.00 0.00 C ATOM 1236 CD GLU A 82 1.998 21.137 7.064 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.976 21.694 7.603 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.836 21.202 7.519 1.00 0.00 O ATOM 0 H GLU A 82 2.593 17.505 4.727 1.00 0.00 H new ATOM 0 HA GLU A 82 3.972 19.878 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.545 18.816 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.344 20.325 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.171 21.011 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.432 19.608 5.680 1.00 0.00 H new ATOM 1245 N PRO A 83 6.368 19.246 4.111 1.00 0.00 N ATOM 1246 CA PRO A 83 7.765 18.802 4.119 1.00 0.00 C ATOM 1247 C PRO A 83 8.304 18.611 5.533 1.00 0.00 C ATOM 1248 O PRO A 83 7.806 19.211 6.484 1.00 0.00 O ATOM 1249 CB PRO A 83 8.504 19.943 3.414 1.00 0.00 C ATOM 1250 CG PRO A 83 7.647 21.141 3.633 1.00 0.00 C ATOM 1251 CD PRO A 83 6.229 20.639 3.654 1.00 0.00 C ATOM 0 HA PRO A 83 7.888 17.833 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.500 20.087 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.631 19.736 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.900 21.635 4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.790 21.873 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.606 21.224 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.768 20.694 2.668 1.00 0.00 H new ATOM 1259 N ASN A 84 9.326 17.772 5.662 1.00 0.00 N ATOM 1260 CA ASN A 84 9.933 17.501 6.961 1.00 0.00 C ATOM 1261 C ASN A 84 8.890 16.999 7.956 1.00 0.00 C ATOM 1262 O ASN A 84 8.948 17.311 9.145 1.00 0.00 O ATOM 1263 CB ASN A 84 10.605 18.763 7.506 1.00 0.00 C ATOM 1264 CG ASN A 84 11.523 18.471 8.676 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.418 17.424 9.316 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.430 19.397 8.964 1.00 0.00 N ATOM 0 H ASN A 84 9.752 17.268 4.884 1.00 0.00 H new ATOM 0 HA ASN A 84 10.686 16.724 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.177 19.239 6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.839 19.473 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.075 19.255 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.482 20.250 8.407 1.00 0.00 H new ATOM 1273 N THR A 85 7.936 16.216 7.459 1.00 0.00 N ATOM 1274 CA THR A 85 6.881 15.670 8.302 1.00 0.00 C ATOM 1275 C THR A 85 6.707 14.174 8.067 1.00 0.00 C ATOM 1276 O THR A 85 7.064 13.656 7.008 1.00 0.00 O ATOM 1277 CB THR A 85 5.536 16.378 8.047 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.635 17.760 8.408 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.420 15.720 8.843 1.00 0.00 C ATOM 0 H THR A 85 7.874 15.947 6.477 1.00 0.00 H new ATOM 0 HA THR A 85 7.183 15.839 9.336 1.00 0.00 H new ATOM 0 HB THR A 85 5.302 16.296 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.291 18.203 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.480 16.236 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.329 14.675 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.650 15.776 9.907 1.00 0.00 H new ATOM 1287 N THR A 86 6.156 13.483 9.059 1.00 0.00 N ATOM 1288 CA THR A 86 5.936 12.046 8.960 1.00 0.00 C ATOM 1289 C THR A 86 4.449 11.724 8.852 1.00 0.00 C ATOM 1290 O THR A 86 3.610 12.417 9.429 1.00 0.00 O ATOM 1291 CB THR A 86 6.523 11.302 10.174 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.932 11.545 10.263 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.267 9.806 10.068 1.00 0.00 C ATOM 0 H THR A 86 5.854 13.896 9.941 1.00 0.00 H new ATOM 0 HA THR A 86 6.445 11.710 8.057 1.00 0.00 H new ATOM 0 HB THR A 86 6.033 11.675 11.073 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.298 11.070 11.038 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.691 9.302 10.937 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.193 9.622 10.030 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.733 9.420 9.161 1.00 0.00 H new ATOM 1301 N TYR A 87 4.130 10.670 8.110 1.00 0.00 N ATOM 1302 CA TYR A 87 2.743 10.257 7.925 1.00 0.00 C ATOM 1303 C TYR A 87 2.627 8.735 7.901 1.00 0.00 C ATOM 1304 O TYR A 87 3.476 8.046 7.337 1.00 0.00 O ATOM 1305 CB TYR A 87 2.183 10.843 6.629 1.00 0.00 C ATOM 1306 CG TYR A 87 2.475 12.316 6.455 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.776 12.772 6.278 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.449 13.254 6.467 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.047 14.117 6.120 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.711 14.601 6.308 1.00 0.00 C ATOM 1311 CZ TYR A 87 3.011 15.028 6.136 1.00 0.00 C ATOM 1312 OH TYR A 87 3.277 16.368 5.976 1.00 0.00 O ATOM 0 H TYR A 87 4.812 10.086 7.627 1.00 0.00 H new ATOM 0 HA TYR A 87 2.162 10.635 8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.600 10.296 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.104 10.690 6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.590 12.062 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.430 12.924 6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.064 14.454 5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.902 15.316 6.318 1.00 0.00 H new ATOM 0 HH TYR A 87 4.075 16.479 5.418 1.00 0.00 H new ATOM 1322 N GLU A 88 1.567 8.220 8.516 1.00 0.00 N ATOM 1323 CA GLU A 88 1.338 6.780 8.565 1.00 0.00 C ATOM 1324 C GLU A 88 0.376 6.345 7.464 1.00 0.00 C ATOM 1325 O GLU A 88 -0.762 6.814 7.398 1.00 0.00 O ATOM 1326 CB GLU A 88 0.783 6.376 9.932 1.00 0.00 C ATOM 1327 CG GLU A 88 1.579 6.934 11.101 1.00 0.00 C ATOM 1328 CD GLU A 88 0.810 6.881 12.407 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.301 6.311 12.420 1.00 0.00 O ATOM 1330 OE2 GLU A 88 1.321 7.412 13.416 1.00 0.00 O ATOM 0 H GLU A 88 0.854 8.777 8.987 1.00 0.00 H new ATOM 0 HA GLU A 88 2.294 6.280 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.249 6.717 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.766 5.288 10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.506 6.371 11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.856 7.967 10.888 1.00 0.00 H new ATOM 1337 N ILE A 89 0.839 5.446 6.602 1.00 0.00 N ATOM 1338 CA ILE A 89 0.020 4.947 5.505 1.00 0.00 C ATOM 1339 C ILE A 89 -0.150 3.434 5.591 1.00 0.00 C ATOM 1340 O ILE A 89 0.757 2.719 6.015 1.00 0.00 O ATOM 1341 CB ILE A 89 0.631 5.306 4.138 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.082 4.381 3.051 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.149 5.222 4.196 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.423 4.828 1.646 1.00 0.00 C ATOM 0 H ILE A 89 1.777 5.048 6.642 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.955 5.426 5.595 1.00 0.00 H new ATOM 0 HB ILE A 89 0.353 6.331 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.474 3.376 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.002 4.320 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.565 5.479 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.524 5.919 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.447 4.208 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.001 4.125 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.008 5.820 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.506 4.862 1.528 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.321 2.953 5.184 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.611 1.524 5.213 1.00 0.00 C ATOM 1358 C ARG A 90 -2.309 1.084 3.930 1.00 0.00 C ATOM 1359 O ARG A 90 -3.246 1.732 3.467 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.483 1.184 6.424 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.718 2.061 6.549 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.449 1.811 7.859 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.727 2.514 7.916 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.454 2.628 9.022 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.032 2.087 10.156 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.607 3.284 8.995 1.00 0.00 N ATOM 0 H ARG A 90 -2.083 3.531 4.831 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.665 0.988 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.793 0.141 6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.885 1.281 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.428 3.110 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.390 1.866 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.618 0.741 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.822 2.131 8.691 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.081 2.941 7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.147 1.581 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.593 2.176 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.936 3.701 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.164 3.371 9.845 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.845 -0.024 3.360 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.424 -0.551 2.131 1.00 0.00 C ATOM 1382 C VAL A 91 -3.324 -1.748 2.417 1.00 0.00 C ATOM 1383 O VAL A 91 -2.944 -2.662 3.148 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.331 -0.973 1.130 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.941 -1.285 -0.227 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.271 0.113 1.011 1.00 0.00 C ATOM 0 H VAL A 91 -1.070 -0.574 3.730 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.018 0.251 1.692 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.851 -1.878 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.154 -1.581 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.659 -2.098 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.448 -0.399 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.493 -0.201 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.734 1.036 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.187 0.282 1.985 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.519 -1.736 1.835 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.472 -2.822 2.025 1.00 0.00 C ATOM 1398 C ALA A 92 -6.099 -3.241 0.699 1.00 0.00 C ATOM 1399 O ALA A 92 -6.106 -2.476 -0.264 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.552 -2.408 3.015 1.00 0.00 C ATOM 0 H ALA A 92 -4.850 -0.986 1.228 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.933 -3.679 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.257 -3.228 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.093 -2.165 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.080 -1.534 2.633 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.623 -4.461 0.658 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.253 -4.981 -0.549 1.00 0.00 C ATOM 1408 C ALA A 93 -8.773 -4.920 -0.445 1.00 0.00 C ATOM 1409 O ALA A 93 -9.376 -5.600 0.386 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.796 -6.409 -0.811 1.00 0.00 C ATOM 0 H ALA A 93 -6.624 -5.108 1.447 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.947 -4.355 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.275 -6.784 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.714 -6.427 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.072 -7.040 0.034 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.389 -4.103 -1.294 1.00 0.00 N ATOM 1417 CA VAL A 94 -10.839 -3.955 -1.297 1.00 0.00 C ATOM 1418 C VAL A 94 -11.456 -4.616 -2.524 1.00 0.00 C ATOM 1419 O VAL A 94 -11.078 -4.321 -3.657 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.251 -2.471 -1.265 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -12.763 -2.335 -1.355 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -10.721 -1.798 -0.007 1.00 0.00 C ATOM 0 H VAL A 94 -8.906 -3.534 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.210 -4.447 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.813 -1.971 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.035 -1.280 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.113 -2.779 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.225 -2.848 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.021 -0.750 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.128 -2.297 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.633 -1.864 0.010 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.410 -5.511 -2.290 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.081 -6.215 -3.377 1.00 0.00 C ATOM 1434 C ASN A 95 -14.581 -6.319 -3.115 1.00 0.00 C ATOM 1435 O ASN A 95 -15.066 -5.907 -2.062 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.484 -7.613 -3.553 1.00 0.00 C ATOM 1437 CG ASN A 95 -12.942 -8.576 -2.473 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.562 -8.173 -1.489 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.635 -9.855 -2.654 1.00 0.00 N ATOM 0 H ASN A 95 -12.736 -5.766 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.929 -5.645 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.766 -8.006 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.396 -7.545 -3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.915 -10.550 -1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.119 -10.143 -3.486 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.308 -6.872 -4.081 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.744 -7.020 -3.934 1.00 0.00 C ATOM 1448 C GLY A 96 -17.155 -7.301 -2.503 1.00 0.00 C ATOM 1449 O GLY A 96 -18.143 -6.752 -2.013 1.00 0.00 O ATOM 0 H GLY A 96 -14.929 -7.220 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.237 -6.111 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.090 -7.832 -4.574 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.398 -8.159 -1.829 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.689 -8.514 -0.444 1.00 0.00 C ATOM 1455 C LYS A 97 -16.529 -7.304 0.471 1.00 0.00 C ATOM 1456 O LYS A 97 -17.429 -6.976 1.244 1.00 0.00 O ATOM 1457 CB LYS A 97 -15.765 -9.643 0.019 1.00 0.00 C ATOM 1458 CG LYS A 97 -15.729 -10.827 -0.931 1.00 0.00 C ATOM 1459 CD LYS A 97 -16.909 -11.758 -0.707 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.099 -11.366 -1.568 1.00 0.00 C ATOM 1461 NZ LYS A 97 -18.082 -12.056 -2.887 1.00 0.00 N ATOM 0 H LYS A 97 -15.577 -8.622 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.723 -8.854 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.755 -9.250 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.088 -9.986 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.737 -10.469 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.799 -11.378 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.614 -12.782 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.196 -11.737 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.023 -11.609 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.095 -10.287 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.910 -11.762 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.213 -11.804 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.112 -13.085 -2.741 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.379 -6.644 0.378 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.124 -5.477 1.203 1.00 0.00 C ATOM 1477 C GLY A 98 -13.650 -5.293 1.507 1.00 0.00 C ATOM 1478 O GLY A 98 -12.797 -5.898 0.859 1.00 0.00 O ATOM 0 H GLY A 98 -14.619 -6.896 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.501 -4.588 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.676 -5.569 2.138 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.352 -4.453 2.493 1.00 0.00 N ATOM 1483 CA GLN A 99 -11.971 -4.189 2.878 1.00 0.00 C ATOM 1484 C GLN A 99 -11.474 -5.233 3.872 1.00 0.00 C ATOM 1485 O GLN A 99 -11.666 -5.096 5.080 1.00 0.00 O ATOM 1486 CB GLN A 99 -11.848 -2.790 3.485 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.457 -2.476 4.013 1.00 0.00 C ATOM 1488 CD GLN A 99 -10.308 -1.030 4.442 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -10.526 -0.690 5.605 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -9.933 -0.170 3.503 1.00 0.00 N ATOM 0 H GLN A 99 -14.047 -3.944 3.039 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.353 -4.245 1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.117 -2.051 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.567 -2.691 4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.239 -3.127 4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.721 -2.700 3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.763 -0.496 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.815 0.817 3.733 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.832 -6.277 3.355 1.00 0.00 N ATOM 1500 CA GLY A 100 -10.318 -7.330 4.211 1.00 0.00 C ATOM 1501 C GLY A 100 -9.633 -6.788 5.450 1.00 0.00 C ATOM 1502 O GLY A 100 -10.287 -6.496 6.451 1.00 0.00 O ATOM 0 H GLY A 100 -10.659 -6.412 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.138 -7.984 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.612 -7.940 3.647 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.314 -6.652 5.383 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.539 -6.141 6.508 1.00 0.00 C ATOM 1508 C ASP A 101 -6.442 -5.196 6.028 1.00 0.00 C ATOM 1509 O ASP A 101 -6.013 -5.261 4.876 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.925 -7.297 7.299 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.951 -8.039 8.132 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.677 -8.883 7.567 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -8.028 -7.775 9.351 1.00 0.00 O ATOM 0 H ASP A 101 -7.758 -6.889 4.561 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.213 -5.584 7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.450 -7.994 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.142 -6.911 7.952 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.993 -4.318 6.919 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.948 -3.358 6.586 1.00 0.00 C ATOM 1520 C TYR A 102 -3.564 -3.963 6.798 1.00 0.00 C ATOM 1521 O TYR A 102 -3.325 -4.666 7.781 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.100 -2.094 7.434 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.163 -1.148 6.923 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -6.037 -0.532 5.685 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.295 -0.870 7.681 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -7.006 0.334 5.216 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.269 -0.006 7.220 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.120 0.594 5.987 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.088 1.455 5.523 1.00 0.00 O ATOM 0 H TYR A 102 -6.337 -4.252 7.877 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.052 -3.096 5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.341 -2.380 8.458 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.144 -1.571 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.167 -0.733 5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.415 -1.338 8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.892 0.805 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.142 0.199 7.822 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.974 1.074 5.696 1.00 0.00 H new ATOM 1539 N SER A 103 -2.655 -3.685 5.869 1.00 0.00 N ATOM 1540 CA SER A 103 -1.295 -4.203 5.952 1.00 0.00 C ATOM 1541 C SER A 103 -0.500 -3.476 7.032 1.00 0.00 C ATOM 1542 O SER A 103 -0.880 -2.393 7.475 1.00 0.00 O ATOM 1543 CB SER A 103 -0.589 -4.061 4.601 1.00 0.00 C ATOM 1544 OG SER A 103 -0.406 -2.697 4.263 1.00 0.00 O ATOM 0 H SER A 103 -2.836 -3.104 5.050 1.00 0.00 H new ATOM 0 HA SER A 103 -1.351 -5.259 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.378 -4.563 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.176 -4.555 3.827 1.00 0.00 H new ATOM 0 HG SER A 103 -1.142 -2.401 3.687 1.00 0.00 H new ATOM 1550 N LYS A 104 0.606 -4.080 7.452 1.00 0.00 N ATOM 1551 CA LYS A 104 1.457 -3.492 8.479 1.00 0.00 C ATOM 1552 C LYS A 104 1.577 -1.983 8.289 1.00 0.00 C ATOM 1553 O LYS A 104 2.132 -1.516 7.296 1.00 0.00 O ATOM 1554 CB LYS A 104 2.848 -4.131 8.447 1.00 0.00 C ATOM 1555 CG LYS A 104 3.560 -4.107 9.788 1.00 0.00 C ATOM 1556 CD LYS A 104 4.662 -5.149 9.853 1.00 0.00 C ATOM 1557 CE LYS A 104 5.852 -4.757 8.992 1.00 0.00 C ATOM 1558 NZ LYS A 104 5.671 -5.172 7.573 1.00 0.00 N ATOM 0 H LYS A 104 0.934 -4.978 7.096 1.00 0.00 H new ATOM 0 HA LYS A 104 0.997 -3.684 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.756 -5.164 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.461 -3.611 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.984 -3.117 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.840 -4.287 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.985 -5.274 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.273 -6.112 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.994 -3.677 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.756 -5.216 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.573 -5.529 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.952 -5.922 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.361 -4.355 7.009 1.00 0.00 H new ATOM 1572 N ILE A 105 1.051 -1.228 9.248 1.00 0.00 N ATOM 1573 CA ILE A 105 1.101 0.228 9.187 1.00 0.00 C ATOM 1574 C ILE A 105 2.478 0.712 8.743 1.00 0.00 C ATOM 1575 O ILE A 105 3.490 0.379 9.357 1.00 0.00 O ATOM 1576 CB ILE A 105 0.760 0.861 10.548 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.679 0.526 10.945 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.965 2.367 10.498 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.715 1.122 10.018 1.00 0.00 C ATOM 0 H ILE A 105 0.586 -1.600 10.076 1.00 0.00 H new ATOM 0 HA ILE A 105 0.356 0.539 8.455 1.00 0.00 H new ATOM 0 HB ILE A 105 1.430 0.448 11.302 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.800 -0.557 10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.861 0.884 11.958 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.720 2.800 11.468 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.005 2.585 10.256 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.317 2.797 9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.712 0.844 10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.621 2.208 10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.559 0.744 9.007 1.00 0.00 H new ATOM 1591 N GLU A 106 2.505 1.502 7.674 1.00 0.00 N ATOM 1592 CA GLU A 106 3.757 2.034 7.150 1.00 0.00 C ATOM 1593 C GLU A 106 3.961 3.482 7.589 1.00 0.00 C ATOM 1594 O GLU A 106 3.004 4.249 7.692 1.00 0.00 O ATOM 1595 CB GLU A 106 3.775 1.946 5.622 1.00 0.00 C ATOM 1596 CG GLU A 106 3.823 0.521 5.095 1.00 0.00 C ATOM 1597 CD GLU A 106 5.201 -0.099 5.214 1.00 0.00 C ATOM 1598 OE1 GLU A 106 5.837 0.066 6.276 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.644 -0.750 4.244 1.00 0.00 O ATOM 0 H GLU A 106 1.675 1.787 7.155 1.00 0.00 H new ATOM 0 HA GLU A 106 4.573 1.433 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.887 2.441 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.639 2.493 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.106 -0.089 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.515 0.514 4.050 1.00 0.00 H new ATOM 1606 N ILE A 107 5.213 3.844 7.848 1.00 0.00 N ATOM 1607 CA ILE A 107 5.541 5.198 8.276 1.00 0.00 C ATOM 1608 C ILE A 107 6.625 5.807 7.390 1.00 0.00 C ATOM 1609 O ILE A 107 7.761 5.335 7.368 1.00 0.00 O ATOM 1610 CB ILE A 107 6.016 5.226 9.740 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.971 4.579 10.651 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.296 6.656 10.179 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.464 4.334 12.060 1.00 0.00 C ATOM 0 H ILE A 107 6.016 3.220 7.769 1.00 0.00 H new ATOM 0 HA ILE A 107 4.628 5.787 8.187 1.00 0.00 H new ATOM 0 HB ILE A 107 6.941 4.655 9.817 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.089 5.218 10.690 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.658 3.631 10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.631 6.659 11.216 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.072 7.086 9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.386 7.249 10.090 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.670 3.874 12.648 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.328 3.670 12.033 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.750 5.282 12.515 1.00 0.00 H new ATOM 1625 N PHE A 108 6.264 6.858 6.662 1.00 0.00 N ATOM 1626 CA PHE A 108 7.205 7.532 5.775 1.00 0.00 C ATOM 1627 C PHE A 108 7.292 9.020 6.104 1.00 0.00 C ATOM 1628 O PHE A 108 6.293 9.646 6.457 1.00 0.00 O ATOM 1629 CB PHE A 108 6.787 7.344 4.315 1.00 0.00 C ATOM 1630 CG PHE A 108 5.526 8.075 3.954 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.509 9.459 3.877 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.356 7.380 3.691 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.351 10.135 3.545 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.195 8.050 3.357 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.192 9.430 3.286 1.00 0.00 C ATOM 0 H PHE A 108 5.327 7.261 6.669 1.00 0.00 H new ATOM 0 HA PHE A 108 8.189 7.087 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.594 7.686 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.650 6.281 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.412 10.016 4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.352 6.302 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.352 11.213 3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.291 7.496 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.285 9.956 3.028 1.00 0.00 H new ATOM 1645 N GLN A 109 8.492 9.577 5.984 1.00 0.00 N ATOM 1646 CA GLN A 109 8.708 10.991 6.269 1.00 0.00 C ATOM 1647 C GLN A 109 9.147 11.738 5.014 1.00 0.00 C ATOM 1648 O GLN A 109 10.174 11.419 4.414 1.00 0.00 O ATOM 1649 CB GLN A 109 9.760 11.155 7.368 1.00 0.00 C ATOM 1650 CG GLN A 109 10.153 12.601 7.623 1.00 0.00 C ATOM 1651 CD GLN A 109 11.451 12.726 8.395 1.00 0.00 C ATOM 1652 OE1 GLN A 109 12.073 11.725 8.753 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.870 13.960 8.654 1.00 0.00 N ATOM 0 H GLN A 109 9.329 9.072 5.692 1.00 0.00 H new ATOM 0 HA GLN A 109 7.764 11.416 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.378 10.723 8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.650 10.588 7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.250 13.120 6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.356 13.098 8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.323 14.761 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.739 14.106 9.168 1.00 0.00 H new ATOM 1662 N THR A 110 8.362 12.736 4.620 1.00 0.00 N ATOM 1663 CA THR A 110 8.667 13.528 3.436 1.00 0.00 C ATOM 1664 C THR A 110 10.058 14.144 3.531 1.00 0.00 C ATOM 1665 O THR A 110 10.651 14.202 4.608 1.00 0.00 O ATOM 1666 CB THR A 110 7.634 14.652 3.230 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.525 15.441 4.418 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.273 14.075 2.870 1.00 0.00 C ATOM 0 H THR A 110 7.509 13.015 5.105 1.00 0.00 H new ATOM 0 HA THR A 110 8.630 12.850 2.584 1.00 0.00 H new ATOM 0 HB THR A 110 7.973 15.282 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.743 16.027 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.559 14.887 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.354 13.499 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.929 13.425 3.675 1.00 0.00 H new ATOM 1676 N LEU A 111 10.575 14.604 2.396 1.00 0.00 N ATOM 1677 CA LEU A 111 11.898 15.217 2.352 1.00 0.00 C ATOM 1678 C LEU A 111 11.828 16.693 2.732 1.00 0.00 C ATOM 1679 O LEU A 111 10.878 17.400 2.398 1.00 0.00 O ATOM 1680 CB LEU A 111 12.503 15.068 0.955 1.00 0.00 C ATOM 1681 CG LEU A 111 12.781 13.637 0.492 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.256 13.624 -0.952 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.808 12.973 1.399 1.00 0.00 C ATOM 0 H LEU A 111 10.098 14.564 1.495 1.00 0.00 H new ATOM 0 HA LEU A 111 12.533 14.704 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.829 15.536 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.439 15.626 0.925 1.00 0.00 H new ATOM 0 HG LEU A 111 11.852 13.070 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.448 12.597 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.488 14.059 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.173 14.207 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.994 11.956 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.738 13.541 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.428 12.947 2.420 1.00 0.00 H new ATOM 1695 N PRO A 112 12.857 17.169 3.449 1.00 0.00 N ATOM 1696 CA PRO A 112 12.936 18.565 3.889 1.00 0.00 C ATOM 1697 C PRO A 112 13.172 19.525 2.728 1.00 0.00 C ATOM 1698 O PRO A 112 14.192 19.450 2.043 1.00 0.00 O ATOM 1699 CB PRO A 112 14.136 18.570 4.839 1.00 0.00 C ATOM 1700 CG PRO A 112 14.978 17.425 4.391 1.00 0.00 C ATOM 1701 CD PRO A 112 14.022 16.381 3.885 1.00 0.00 C ATOM 0 HA PRO A 112 12.008 18.900 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.683 19.511 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.821 18.448 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.670 17.733 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.579 17.038 5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.451 15.808 3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.756 15.668 4.665 1.00 0.00 H new ATOM 1709 N VAL A 113 12.222 20.430 2.513 1.00 0.00 N ATOM 1710 CA VAL A 113 12.328 21.408 1.436 1.00 0.00 C ATOM 1711 C VAL A 113 13.775 21.835 1.222 1.00 0.00 C ATOM 1712 O VAL A 113 14.489 22.145 2.175 1.00 0.00 O ATOM 1713 CB VAL A 113 11.472 22.655 1.724 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.664 23.699 0.635 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.005 22.276 1.858 1.00 0.00 C ATOM 0 H VAL A 113 11.371 20.506 3.070 1.00 0.00 H new ATOM 0 HA VAL A 113 11.958 20.925 0.532 1.00 0.00 H new ATOM 0 HB VAL A 113 11.799 23.087 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.051 24.573 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.713 23.993 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.366 23.281 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.415 23.170 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.661 21.818 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.886 21.568 2.678 1.00 0.00 H new ATOM 1725 N SER A 114 14.201 21.853 -0.038 1.00 0.00 N ATOM 1726 CA SER A 114 15.566 22.240 -0.377 1.00 0.00 C ATOM 1727 C SER A 114 15.571 23.451 -1.305 1.00 0.00 C ATOM 1728 O SER A 114 16.353 24.383 -1.124 1.00 0.00 O ATOM 1729 CB SER A 114 16.300 21.073 -1.039 1.00 0.00 C ATOM 1730 OG SER A 114 17.467 21.518 -1.708 1.00 0.00 O ATOM 0 H SER A 114 13.621 21.604 -0.840 1.00 0.00 H new ATOM 0 HA SER A 114 16.082 22.508 0.545 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.569 20.334 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 114 15.637 20.578 -1.748 1.00 0.00 H new ATOM 0 HG SER A 114 17.919 20.753 -2.121 1.00 0.00 H new ATOM 1736 N GLY A 115 14.690 23.430 -2.301 1.00 0.00 N ATOM 1737 CA GLY A 115 14.610 24.530 -3.243 1.00 0.00 C ATOM 1738 C GLY A 115 14.072 24.099 -4.594 1.00 0.00 C ATOM 1739 O GLY A 115 14.342 22.997 -5.071 1.00 0.00 O ATOM 0 H GLY A 115 14.031 22.671 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 115 13.969 25.310 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.600 24.966 -3.372 1.00 0.00 H new ATOM 1743 N PRO A 116 13.288 24.982 -5.231 1.00 0.00 N ATOM 1744 CA PRO A 116 12.692 24.707 -6.543 1.00 0.00 C ATOM 1745 C PRO A 116 13.732 24.678 -7.657 1.00 0.00 C ATOM 1746 O PRO A 116 13.519 24.065 -8.703 1.00 0.00 O ATOM 1747 CB PRO A 116 11.725 25.877 -6.744 1.00 0.00 C ATOM 1748 CG PRO A 116 12.283 26.978 -5.910 1.00 0.00 C ATOM 1749 CD PRO A 116 12.922 26.313 -4.721 1.00 0.00 C ATOM 0 HA PRO A 116 12.213 23.729 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.666 26.166 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 116 10.715 25.614 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.014 27.561 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 116 11.498 27.667 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.796 26.864 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.232 26.245 -3.880 1.00 0.00 H new ATOM 1757 N SER A 117 14.858 25.345 -7.426 1.00 0.00 N ATOM 1758 CA SER A 117 15.931 25.398 -8.413 1.00 0.00 C ATOM 1759 C SER A 117 16.794 24.142 -8.345 1.00 0.00 C ATOM 1760 O SER A 117 17.526 23.928 -7.379 1.00 0.00 O ATOM 1761 CB SER A 117 16.799 26.638 -8.188 1.00 0.00 C ATOM 1762 OG SER A 117 17.763 26.780 -9.216 1.00 0.00 O ATOM 0 H SER A 117 15.051 25.856 -6.565 1.00 0.00 H new ATOM 0 HA SER A 117 15.478 25.454 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 117 16.168 27.526 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.300 26.564 -7.223 1.00 0.00 H new ATOM 0 HG SER A 117 18.303 27.581 -9.050 1.00 0.00 H new ATOM 1768 N SER A 118 16.701 23.312 -9.380 1.00 0.00 N ATOM 1769 CA SER A 118 17.469 22.074 -9.438 1.00 0.00 C ATOM 1770 C SER A 118 18.913 22.308 -9.002 1.00 0.00 C ATOM 1771 O SER A 118 19.576 23.228 -9.480 1.00 0.00 O ATOM 1772 CB SER A 118 17.440 21.497 -10.854 1.00 0.00 C ATOM 1773 OG SER A 118 18.171 22.313 -11.753 1.00 0.00 O ATOM 0 H SER A 118 16.102 23.475 -10.189 1.00 0.00 H new ATOM 0 HA SER A 118 17.012 21.360 -8.752 1.00 0.00 H new ATOM 0 HB2 SER A 118 17.859 20.491 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 118 16.408 21.411 -11.194 1.00 0.00 H new ATOM 0 HG SER A 118 18.138 21.921 -12.651 1.00 0.00 H new ATOM 1779 N GLY A 119 19.392 21.469 -8.090 1.00 0.00 N ATOM 1780 CA GLY A 119 20.752 21.601 -7.602 1.00 0.00 C ATOM 1781 C GLY A 119 21.494 20.279 -7.590 1.00 0.00 C ATOM 1782 O GLY A 119 22.629 20.192 -8.057 1.00 0.00 O ATOM 0 H GLY A 119 18.862 20.700 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 119 21.292 22.312 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 119 20.734 22.014 -6.593 1.00 0.00 H new TER 1786 GLY A 119