USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=33 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 84 ASN : amide:sc= -0.0753 K(o=-0.075,f=-2.7) USER MOD Set 1.2: A 109 GLN : amide:sc= 0 K(o=-0.075,f=-1) USER MOD Set 2.1: A 53 GLN : amide:sc= -5.48! C(o=-11!,f=-16!) USER MOD Set 2.2: A 99 GLN : amide:sc= -5! K(o=-11!,f=-4.7) USER MOD Set 2.3: A 102 TYR OH : rot 180:sc= -0.0343 USER MOD Set 3.1: A 79 ASN : amide:sc= -1.91 K(o=-1.9,f=0.0081) USER MOD Set 3.2: A 80 ASN : amide:sc= -0.0124 K(o=-1.9,f=0.0081) USER MOD Set 4.1: A 35 LYS NZ :NH3+ -157:sc= 1.04 (180deg=0.228) USER MOD Set 4.2: A 75 MET CE :methyl -136:sc= -2.04! (180deg=-5.45!) USER MOD Set 5.1: A 40 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Set 5.2: A 52 TYR OH : rot 180:sc= -0.166 USER MOD Set 6.1: A 30 SER OG : rot 151:sc= 0.00114 USER MOD Set 6.2: A 33 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.147 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0492 (180deg=-0.251) USER MOD Single : A 31 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.991 K(o=-0.99,f=-0.12) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -3.01! C(o=-3!,f=-7.9!) USER MOD Single : A 50 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.065) USER MOD Single : A 51 HIS : no HD1:sc= -0.0858 K(o=-0.086,f=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.12) USER MOD Single : A 61 SER OG : rot 180:sc= -0.437 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 85:sc= 0.824 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 73 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.032) USER MOD Single : A 74 THR OG1 : rot 134:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot -160:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -164:sc= 0.532 USER MOD Single : A 95 ASN : amide:sc= -8.41! C(o=-8.4!,f=-17!) USER MOD Single : A 97 LYS NZ :NH3+ -113:sc= -0.79 (180deg=-2.83!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.118 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -156:sc= 1.48 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 36:sc= 1.1 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.526 -16.141 8.159 1.00 0.00 N ATOM 2 CA GLY A 1 -35.583 -16.307 6.718 1.00 0.00 C ATOM 3 C GLY A 1 -36.527 -17.417 6.300 1.00 0.00 C ATOM 4 O GLY A 1 -36.358 -18.568 6.702 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.868 -15.371 8.394 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.473 -15.909 8.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.196 -17.024 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.902 -15.371 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.584 -16.522 6.340 1.00 0.00 H new ATOM 8 N SER A 2 -37.522 -17.071 5.490 1.00 0.00 N ATOM 9 CA SER A 2 -38.499 -18.046 5.021 1.00 0.00 C ATOM 10 C SER A 2 -38.642 -17.985 3.503 1.00 0.00 C ATOM 11 O SER A 2 -38.400 -18.970 2.805 1.00 0.00 O ATOM 12 CB SER A 2 -39.856 -17.801 5.683 1.00 0.00 C ATOM 13 OG SER A 2 -39.915 -18.402 6.964 1.00 0.00 O ATOM 0 H SER A 2 -37.673 -16.123 5.145 1.00 0.00 H new ATOM 0 HA SER A 2 -38.144 -19.039 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.032 -16.729 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.649 -18.203 5.053 1.00 0.00 H new ATOM 0 HG SER A 2 -40.792 -18.229 7.366 1.00 0.00 H new ATOM 19 N SER A 3 -39.039 -16.821 2.999 1.00 0.00 N ATOM 20 CA SER A 3 -39.220 -16.630 1.565 1.00 0.00 C ATOM 21 C SER A 3 -37.873 -16.592 0.849 1.00 0.00 C ATOM 22 O SER A 3 -36.853 -16.239 1.439 1.00 0.00 O ATOM 23 CB SER A 3 -39.992 -15.337 1.294 1.00 0.00 C ATOM 24 OG SER A 3 -41.339 -15.450 1.716 1.00 0.00 O ATOM 0 H SER A 3 -39.242 -15.996 3.563 1.00 0.00 H new ATOM 0 HA SER A 3 -39.793 -17.473 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.513 -14.508 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.959 -15.107 0.229 1.00 0.00 H new ATOM 0 HG SER A 3 -41.810 -14.610 1.534 1.00 0.00 H new ATOM 30 N GLY A 4 -37.879 -16.958 -0.430 1.00 0.00 N ATOM 31 CA GLY A 4 -36.653 -16.960 -1.207 1.00 0.00 C ATOM 32 C GLY A 4 -36.869 -17.440 -2.629 1.00 0.00 C ATOM 33 O GLY A 4 -37.466 -18.494 -2.851 1.00 0.00 O ATOM 0 H GLY A 4 -38.711 -17.253 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.237 -15.953 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.918 -17.600 -0.719 1.00 0.00 H new ATOM 37 N SER A 5 -36.383 -16.666 -3.593 1.00 0.00 N ATOM 38 CA SER A 5 -36.530 -17.016 -5.002 1.00 0.00 C ATOM 39 C SER A 5 -35.175 -17.327 -5.628 1.00 0.00 C ATOM 40 O SER A 5 -35.025 -18.309 -6.356 1.00 0.00 O ATOM 41 CB SER A 5 -37.208 -15.876 -5.763 1.00 0.00 C ATOM 42 OG SER A 5 -37.442 -16.234 -7.114 1.00 0.00 O ATOM 0 H SER A 5 -35.884 -15.792 -3.425 1.00 0.00 H new ATOM 0 HA SER A 5 -37.153 -17.908 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.153 -15.624 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.582 -14.985 -5.723 1.00 0.00 H new ATOM 0 HG SER A 5 -37.878 -15.489 -7.579 1.00 0.00 H new ATOM 48 N SER A 6 -34.189 -16.483 -5.340 1.00 0.00 N ATOM 49 CA SER A 6 -32.846 -16.664 -5.878 1.00 0.00 C ATOM 50 C SER A 6 -31.823 -16.796 -4.754 1.00 0.00 C ATOM 51 O SER A 6 -32.043 -16.321 -3.641 1.00 0.00 O ATOM 52 CB SER A 6 -32.474 -15.490 -6.785 1.00 0.00 C ATOM 53 OG SER A 6 -33.315 -15.440 -7.925 1.00 0.00 O ATOM 0 H SER A 6 -34.295 -15.667 -4.737 1.00 0.00 H new ATOM 0 HA SER A 6 -32.838 -17.583 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.555 -14.556 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.435 -15.585 -7.100 1.00 0.00 H new ATOM 0 HG SER A 6 -33.058 -14.680 -8.488 1.00 0.00 H new ATOM 59 N GLY A 7 -30.703 -17.447 -5.054 1.00 0.00 N ATOM 60 CA GLY A 7 -29.662 -17.631 -4.059 1.00 0.00 C ATOM 61 C GLY A 7 -28.796 -16.399 -3.892 1.00 0.00 C ATOM 62 O GLY A 7 -28.475 -15.721 -4.869 1.00 0.00 O ATOM 0 H GLY A 7 -30.498 -17.850 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.119 -17.883 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.035 -18.476 -4.345 1.00 0.00 H new ATOM 66 N GLN A 8 -28.417 -16.107 -2.652 1.00 0.00 N ATOM 67 CA GLN A 8 -27.583 -14.947 -2.362 1.00 0.00 C ATOM 68 C GLN A 8 -26.319 -15.358 -1.614 1.00 0.00 C ATOM 69 O GLN A 8 -25.542 -14.508 -1.178 1.00 0.00 O ATOM 70 CB GLN A 8 -28.367 -13.923 -1.538 1.00 0.00 C ATOM 71 CG GLN A 8 -28.932 -14.488 -0.245 1.00 0.00 C ATOM 72 CD GLN A 8 -29.473 -13.411 0.675 1.00 0.00 C ATOM 73 OE1 GLN A 8 -28.715 -12.733 1.369 1.00 0.00 O ATOM 74 NE2 GLN A 8 -30.791 -13.247 0.685 1.00 0.00 N ATOM 0 H GLN A 8 -28.674 -16.657 -1.833 1.00 0.00 H new ATOM 0 HA GLN A 8 -27.291 -14.495 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -27.715 -13.082 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -29.186 -13.532 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -29.728 -15.194 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -28.153 -15.046 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -31.382 -13.831 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -31.212 -12.537 1.284 1.00 0.00 H new ATOM 83 N GLU A 9 -26.119 -16.663 -1.472 1.00 0.00 N ATOM 84 CA GLU A 9 -24.949 -17.186 -0.776 1.00 0.00 C ATOM 85 C GLU A 9 -24.228 -18.225 -1.630 1.00 0.00 C ATOM 86 O GLU A 9 -23.309 -18.898 -1.163 1.00 0.00 O ATOM 87 CB GLU A 9 -25.357 -17.805 0.562 1.00 0.00 C ATOM 88 CG GLU A 9 -25.674 -16.777 1.636 1.00 0.00 C ATOM 89 CD GLU A 9 -26.696 -17.276 2.638 1.00 0.00 C ATOM 90 OE1 GLU A 9 -27.560 -18.089 2.248 1.00 0.00 O ATOM 91 OE2 GLU A 9 -26.632 -16.854 3.812 1.00 0.00 O ATOM 0 H GLU A 9 -26.752 -17.379 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.268 -16.356 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.230 -18.439 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.553 -18.451 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.756 -16.511 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.047 -15.868 1.164 1.00 0.00 H new ATOM 98 N TYR A 10 -24.650 -18.349 -2.883 1.00 0.00 N ATOM 99 CA TYR A 10 -24.047 -19.308 -3.801 1.00 0.00 C ATOM 100 C TYR A 10 -22.525 -19.254 -3.723 1.00 0.00 C ATOM 101 O TYR A 10 -21.851 -20.280 -3.807 1.00 0.00 O ATOM 102 CB TYR A 10 -24.506 -19.031 -5.234 1.00 0.00 C ATOM 103 CG TYR A 10 -23.883 -17.796 -5.841 1.00 0.00 C ATOM 104 CD1 TYR A 10 -23.912 -16.578 -5.173 1.00 0.00 C ATOM 105 CD2 TYR A 10 -23.264 -17.846 -7.085 1.00 0.00 C ATOM 106 CE1 TYR A 10 -23.344 -15.446 -5.725 1.00 0.00 C ATOM 107 CE2 TYR A 10 -22.693 -16.719 -7.644 1.00 0.00 C ATOM 108 CZ TYR A 10 -22.736 -15.522 -6.960 1.00 0.00 C ATOM 109 OH TYR A 10 -22.167 -14.397 -7.513 1.00 0.00 O ATOM 0 H TYR A 10 -25.407 -17.798 -3.287 1.00 0.00 H new ATOM 0 HA TYR A 10 -24.372 -20.307 -3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -24.265 -19.893 -5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -25.591 -18.923 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -24.387 -16.515 -4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -23.229 -18.782 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -23.376 -14.507 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -22.216 -16.775 -8.611 1.00 0.00 H new ATOM 0 HH TYR A 10 -21.780 -14.621 -8.385 1.00 0.00 H new ATOM 119 N ILE A 11 -21.990 -18.048 -3.563 1.00 0.00 N ATOM 120 CA ILE A 11 -20.548 -17.857 -3.473 1.00 0.00 C ATOM 121 C ILE A 11 -20.185 -16.958 -2.297 1.00 0.00 C ATOM 122 O ILE A 11 -19.160 -17.156 -1.642 1.00 0.00 O ATOM 123 CB ILE A 11 -19.978 -17.248 -4.767 1.00 0.00 C ATOM 124 CG1 ILE A 11 -20.193 -18.201 -5.943 1.00 0.00 C ATOM 125 CG2 ILE A 11 -18.499 -16.933 -4.597 1.00 0.00 C ATOM 126 CD1 ILE A 11 -19.366 -19.465 -5.857 1.00 0.00 C ATOM 0 H ILE A 11 -22.534 -17.188 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 11 -20.108 -18.843 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 11 -20.506 -16.318 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -21.248 -18.470 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.952 -17.681 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.110 -16.503 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -18.370 -16.220 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.956 -17.850 -4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.570 -20.093 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -18.307 -19.206 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -19.624 -20.007 -4.947 1.00 0.00 H new ATOM 138 N LEU A 12 -21.032 -15.970 -2.031 1.00 0.00 N ATOM 139 CA LEU A 12 -20.802 -15.038 -0.932 1.00 0.00 C ATOM 140 C LEU A 12 -20.521 -15.788 0.366 1.00 0.00 C ATOM 141 O LEU A 12 -19.889 -15.254 1.278 1.00 0.00 O ATOM 142 CB LEU A 12 -22.013 -14.121 -0.753 1.00 0.00 C ATOM 143 CG LEU A 12 -22.152 -12.987 -1.769 1.00 0.00 C ATOM 144 CD1 LEU A 12 -23.506 -12.309 -1.628 1.00 0.00 C ATOM 145 CD2 LEU A 12 -21.027 -11.976 -1.598 1.00 0.00 C ATOM 0 H LEU A 12 -21.885 -15.793 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 12 -19.929 -14.433 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.915 -14.731 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -21.969 -13.685 0.245 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.083 -13.411 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.588 -11.504 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -24.298 -13.038 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -23.604 -11.898 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.142 -11.176 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.065 -11.556 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.067 -12.470 -1.749 1.00 0.00 H new ATOM 157 N ALA A 13 -20.990 -17.029 0.441 1.00 0.00 N ATOM 158 CA ALA A 13 -20.786 -17.853 1.625 1.00 0.00 C ATOM 159 C ALA A 13 -19.447 -18.580 1.564 1.00 0.00 C ATOM 160 O ALA A 13 -18.803 -18.805 2.589 1.00 0.00 O ATOM 161 CB ALA A 13 -21.924 -18.851 1.776 1.00 0.00 C ATOM 0 H ALA A 13 -21.514 -17.486 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.774 -17.197 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.758 -19.460 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -22.868 -18.315 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.962 -19.495 0.897 1.00 0.00 H new ATOM 167 N LEU A 14 -19.032 -18.945 0.355 1.00 0.00 N ATOM 168 CA LEU A 14 -17.769 -19.647 0.159 1.00 0.00 C ATOM 169 C LEU A 14 -16.646 -18.668 -0.168 1.00 0.00 C ATOM 170 O LEU A 14 -15.524 -19.073 -0.472 1.00 0.00 O ATOM 171 CB LEU A 14 -17.905 -20.678 -0.962 1.00 0.00 C ATOM 172 CG LEU A 14 -19.063 -21.667 -0.828 1.00 0.00 C ATOM 173 CD1 LEU A 14 -19.312 -22.380 -2.148 1.00 0.00 C ATOM 174 CD2 LEU A 14 -18.782 -22.673 0.279 1.00 0.00 C ATOM 0 H LEU A 14 -19.552 -18.766 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.519 -20.160 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.016 -20.145 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.975 -21.244 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.962 -21.109 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -20.140 -23.080 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.560 -21.647 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -18.415 -22.924 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.617 -23.369 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -17.871 -23.225 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.656 -22.147 1.225 1.00 0.00 H new ATOM 186 N ALA A 15 -16.956 -17.378 -0.102 1.00 0.00 N ATOM 187 CA ALA A 15 -15.972 -16.340 -0.387 1.00 0.00 C ATOM 188 C ALA A 15 -15.499 -15.665 0.895 1.00 0.00 C ATOM 189 O ALA A 15 -16.176 -15.717 1.922 1.00 0.00 O ATOM 190 CB ALA A 15 -16.554 -15.311 -1.344 1.00 0.00 C ATOM 0 H ALA A 15 -17.881 -17.026 0.146 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.109 -16.811 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.809 -14.542 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.836 -15.800 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.435 -14.853 -0.894 1.00 0.00 H new ATOM 196 N ASP A 16 -14.332 -15.033 0.830 1.00 0.00 N ATOM 197 CA ASP A 16 -13.768 -14.346 1.987 1.00 0.00 C ATOM 198 C ASP A 16 -12.918 -13.157 1.552 1.00 0.00 C ATOM 199 O ASP A 16 -12.175 -13.237 0.574 1.00 0.00 O ATOM 200 CB ASP A 16 -12.926 -15.314 2.820 1.00 0.00 C ATOM 201 CG ASP A 16 -13.454 -16.734 2.767 1.00 0.00 C ATOM 202 OD1 ASP A 16 -13.097 -17.464 1.820 1.00 0.00 O ATOM 203 OD2 ASP A 16 -14.225 -17.115 3.673 1.00 0.00 O ATOM 0 H ASP A 16 -13.758 -14.982 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 16 -14.592 -13.976 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.897 -15.298 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.906 -14.975 3.856 1.00 0.00 H new ATOM 208 N VAL A 17 -13.033 -12.054 2.284 1.00 0.00 N ATOM 209 CA VAL A 17 -12.275 -10.848 1.973 1.00 0.00 C ATOM 210 C VAL A 17 -10.822 -11.178 1.656 1.00 0.00 C ATOM 211 O VAL A 17 -10.264 -12.165 2.137 1.00 0.00 O ATOM 212 CB VAL A 17 -12.318 -9.842 3.140 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.691 -9.194 3.236 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.951 -10.529 4.447 1.00 0.00 C ATOM 0 H VAL A 17 -13.644 -11.970 3.097 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.742 -10.398 1.097 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.586 -9.058 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.702 -8.487 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.911 -8.667 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.445 -9.963 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.986 -9.805 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.659 -11.334 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.945 -10.941 4.371 1.00 0.00 H new ATOM 224 N PRO A 18 -10.191 -10.335 0.825 1.00 0.00 N ATOM 225 CA PRO A 18 -8.793 -10.517 0.424 1.00 0.00 C ATOM 226 C PRO A 18 -7.823 -10.265 1.574 1.00 0.00 C ATOM 227 O PRO A 18 -8.103 -9.472 2.473 1.00 0.00 O ATOM 228 CB PRO A 18 -8.600 -9.471 -0.676 1.00 0.00 C ATOM 229 CG PRO A 18 -9.615 -8.420 -0.382 1.00 0.00 C ATOM 230 CD PRO A 18 -10.794 -9.139 0.213 1.00 0.00 C ATOM 0 HA PRO A 18 -8.592 -11.538 0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.590 -9.061 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.753 -9.903 -1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.219 -7.678 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.900 -7.888 -1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.308 -8.525 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.529 -9.404 -0.547 1.00 0.00 H new ATOM 238 N SER A 19 -6.681 -10.944 1.539 1.00 0.00 N ATOM 239 CA SER A 19 -5.671 -10.797 2.580 1.00 0.00 C ATOM 240 C SER A 19 -4.873 -9.511 2.384 1.00 0.00 C ATOM 241 O SER A 19 -4.857 -8.938 1.295 1.00 0.00 O ATOM 242 CB SER A 19 -4.728 -12.001 2.581 1.00 0.00 C ATOM 243 OG SER A 19 -4.000 -12.079 3.794 1.00 0.00 O ATOM 0 H SER A 19 -6.432 -11.602 0.800 1.00 0.00 H new ATOM 0 HA SER A 19 -6.181 -10.745 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.302 -12.916 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.036 -11.925 1.742 1.00 0.00 H new ATOM 0 HG SER A 19 -3.406 -12.858 3.770 1.00 0.00 H new ATOM 249 N SER A 20 -4.211 -9.065 3.447 1.00 0.00 N ATOM 250 CA SER A 20 -3.412 -7.846 3.394 1.00 0.00 C ATOM 251 C SER A 20 -2.249 -8.000 2.420 1.00 0.00 C ATOM 252 O SER A 20 -1.606 -9.048 2.340 1.00 0.00 O ATOM 253 CB SER A 20 -2.885 -7.496 4.786 1.00 0.00 C ATOM 254 OG SER A 20 -3.926 -7.511 5.746 1.00 0.00 O ATOM 0 H SER A 20 -4.212 -9.529 4.355 1.00 0.00 H new ATOM 0 HA SER A 20 -4.052 -7.037 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.111 -8.207 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.420 -6.510 4.765 1.00 0.00 H new ATOM 0 HG SER A 20 -3.562 -7.285 6.627 1.00 0.00 H new ATOM 260 N PRO A 21 -1.969 -6.931 1.659 1.00 0.00 N ATOM 261 CA PRO A 21 -0.881 -6.921 0.678 1.00 0.00 C ATOM 262 C PRO A 21 0.495 -6.936 1.335 1.00 0.00 C ATOM 263 O PRO A 21 0.616 -6.760 2.547 1.00 0.00 O ATOM 264 CB PRO A 21 -1.098 -5.608 -0.080 1.00 0.00 C ATOM 265 CG PRO A 21 -1.826 -4.734 0.883 1.00 0.00 C ATOM 266 CD PRO A 21 -2.692 -5.649 1.701 1.00 0.00 C ATOM 0 HA PRO A 21 -0.900 -7.805 0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.150 -5.163 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.679 -5.766 -0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.129 -4.187 1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.429 -3.993 0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.808 -5.286 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.693 -5.738 1.279 1.00 0.00 H new ATOM 274 N TYR A 22 1.528 -7.150 0.528 1.00 0.00 N ATOM 275 CA TYR A 22 2.896 -7.189 1.033 1.00 0.00 C ATOM 276 C TYR A 22 3.855 -6.510 0.060 1.00 0.00 C ATOM 277 O TYR A 22 3.477 -6.150 -1.053 1.00 0.00 O ATOM 278 CB TYR A 22 3.332 -8.636 1.270 1.00 0.00 C ATOM 279 CG TYR A 22 3.206 -9.515 0.046 1.00 0.00 C ATOM 280 CD1 TYR A 22 4.156 -9.471 -0.966 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.136 -10.390 -0.097 1.00 0.00 C ATOM 282 CE1 TYR A 22 4.044 -10.272 -2.086 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.016 -11.195 -1.214 1.00 0.00 C ATOM 284 CZ TYR A 22 2.973 -11.132 -2.205 1.00 0.00 C ATOM 285 OH TYR A 22 2.858 -11.932 -3.319 1.00 0.00 O ATOM 0 H TYR A 22 1.445 -7.299 -0.478 1.00 0.00 H new ATOM 0 HA TYR A 22 2.924 -6.648 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.368 -8.644 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.732 -9.060 2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.997 -8.799 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.385 -10.442 0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.791 -10.225 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.178 -11.869 -1.310 1.00 0.00 H new ATOM 0 HH TYR A 22 2.048 -12.479 -3.247 1.00 0.00 H new ATOM 295 N GLY A 23 5.101 -6.338 0.492 1.00 0.00 N ATOM 296 CA GLY A 23 6.097 -5.703 -0.351 1.00 0.00 C ATOM 297 C GLY A 23 5.993 -4.191 -0.333 1.00 0.00 C ATOM 298 O GLY A 23 6.951 -3.492 -0.662 1.00 0.00 O ATOM 0 H GLY A 23 5.438 -6.627 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.092 -6.000 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.983 -6.060 -1.375 1.00 0.00 H new ATOM 302 N VAL A 24 4.826 -3.684 0.052 1.00 0.00 N ATOM 303 CA VAL A 24 4.600 -2.245 0.111 1.00 0.00 C ATOM 304 C VAL A 24 5.870 -1.505 0.517 1.00 0.00 C ATOM 305 O VAL A 24 6.567 -1.909 1.448 1.00 0.00 O ATOM 306 CB VAL A 24 3.475 -1.894 1.104 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.550 -2.786 2.333 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.549 -0.425 1.495 1.00 0.00 C ATOM 0 H VAL A 24 4.023 -4.249 0.328 1.00 0.00 H new ATOM 0 HA VAL A 24 4.304 -1.930 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 24 2.516 -2.069 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.748 -2.523 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.444 -3.828 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.512 -2.646 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.747 -0.194 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.512 -0.221 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.441 0.194 0.605 1.00 0.00 H new ATOM 318 N LYS A 25 6.164 -0.418 -0.188 1.00 0.00 N ATOM 319 CA LYS A 25 7.350 0.381 0.098 1.00 0.00 C ATOM 320 C LYS A 25 7.327 1.689 -0.687 1.00 0.00 C ATOM 321 O LYS A 25 6.669 1.790 -1.723 1.00 0.00 O ATOM 322 CB LYS A 25 8.616 -0.408 -0.241 1.00 0.00 C ATOM 323 CG LYS A 25 8.529 -1.163 -1.555 1.00 0.00 C ATOM 324 CD LYS A 25 8.937 -0.291 -2.730 1.00 0.00 C ATOM 325 CE LYS A 25 8.769 -1.022 -4.053 1.00 0.00 C ATOM 326 NZ LYS A 25 9.525 -2.305 -4.076 1.00 0.00 N ATOM 0 H LYS A 25 5.597 -0.070 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 25 7.351 0.617 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.462 0.278 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.819 -1.116 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.172 -2.042 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.510 -1.520 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.335 0.617 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.976 0.016 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.711 -1.220 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.112 -0.383 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.555 -2.673 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.495 -2.143 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.054 -2.997 -3.459 1.00 0.00 H new ATOM 340 N ILE A 26 8.050 2.686 -0.187 1.00 0.00 N ATOM 341 CA ILE A 26 8.113 3.986 -0.844 1.00 0.00 C ATOM 342 C ILE A 26 9.339 4.087 -1.746 1.00 0.00 C ATOM 343 O ILE A 26 10.471 4.163 -1.266 1.00 0.00 O ATOM 344 CB ILE A 26 8.150 5.133 0.182 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.161 4.863 1.318 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.836 6.460 -0.496 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.812 4.369 0.840 1.00 0.00 C ATOM 0 H ILE A 26 8.600 2.619 0.670 1.00 0.00 H new ATOM 0 HA ILE A 26 7.211 4.078 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 26 9.153 5.190 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.590 4.124 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.021 5.779 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.866 7.262 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.574 6.655 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.843 6.414 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.162 4.198 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.362 5.116 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.940 3.436 0.291 1.00 0.00 H new ATOM 359 N ILE A 27 9.105 4.088 -3.055 1.00 0.00 N ATOM 360 CA ILE A 27 10.190 4.182 -4.023 1.00 0.00 C ATOM 361 C ILE A 27 10.488 5.636 -4.375 1.00 0.00 C ATOM 362 O ILE A 27 11.646 6.022 -4.532 1.00 0.00 O ATOM 363 CB ILE A 27 9.861 3.411 -5.314 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.551 3.922 -5.920 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.772 1.918 -5.032 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.213 3.288 -7.251 1.00 0.00 C ATOM 0 H ILE A 27 8.175 4.025 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 27 11.068 3.736 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 27 10.663 3.579 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.738 3.732 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.616 5.003 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.539 1.387 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.726 1.564 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.988 1.732 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.273 3.697 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.007 3.500 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.115 2.210 -7.126 1.00 0.00 H new ATOM 378 N GLU A 28 9.434 6.438 -4.496 1.00 0.00 N ATOM 379 CA GLU A 28 9.584 7.850 -4.827 1.00 0.00 C ATOM 380 C GLU A 28 9.058 8.732 -3.700 1.00 0.00 C ATOM 381 O GLU A 28 7.874 9.070 -3.660 1.00 0.00 O ATOM 382 CB GLU A 28 8.845 8.171 -6.129 1.00 0.00 C ATOM 383 CG GLU A 28 9.387 7.427 -7.337 1.00 0.00 C ATOM 384 CD GLU A 28 9.191 8.193 -8.631 1.00 0.00 C ATOM 385 OE1 GLU A 28 9.518 9.397 -8.661 1.00 0.00 O ATOM 386 OE2 GLU A 28 8.712 7.587 -9.612 1.00 0.00 O ATOM 0 H GLU A 28 8.469 6.134 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 28 10.646 8.056 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.789 7.928 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.906 9.243 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.450 7.232 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.893 6.459 -7.414 1.00 0.00 H new ATOM 393 N LEU A 29 9.946 9.103 -2.785 1.00 0.00 N ATOM 394 CA LEU A 29 9.573 9.947 -1.654 1.00 0.00 C ATOM 395 C LEU A 29 9.964 11.399 -1.906 1.00 0.00 C ATOM 396 O LEU A 29 11.108 11.693 -2.258 1.00 0.00 O ATOM 397 CB LEU A 29 10.240 9.443 -0.374 1.00 0.00 C ATOM 398 CG LEU A 29 9.873 10.185 0.912 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.451 9.848 1.336 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.856 9.846 2.023 1.00 0.00 C ATOM 0 H LEU A 29 10.929 8.833 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 29 8.491 9.896 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.987 8.390 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.321 9.498 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 29 9.929 11.256 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.208 10.385 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.757 10.142 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.368 8.775 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.579 10.383 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.832 8.773 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.862 10.139 1.721 1.00 0.00 H new ATOM 412 N SER A 30 9.009 12.305 -1.723 1.00 0.00 N ATOM 413 CA SER A 30 9.253 13.727 -1.931 1.00 0.00 C ATOM 414 C SER A 30 8.940 14.524 -0.669 1.00 0.00 C ATOM 415 O SER A 30 8.588 13.956 0.364 1.00 0.00 O ATOM 416 CB SER A 30 8.410 14.246 -3.098 1.00 0.00 C ATOM 417 OG SER A 30 8.696 13.535 -4.290 1.00 0.00 O ATOM 0 H SER A 30 8.058 12.079 -1.431 1.00 0.00 H new ATOM 0 HA SER A 30 10.309 13.857 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.351 14.148 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.606 15.308 -3.248 1.00 0.00 H new ATOM 0 HG SER A 30 7.899 13.518 -4.860 1.00 0.00 H new ATOM 423 N GLN A 31 9.069 15.844 -0.762 1.00 0.00 N ATOM 424 CA GLN A 31 8.801 16.719 0.374 1.00 0.00 C ATOM 425 C GLN A 31 7.313 17.036 0.475 1.00 0.00 C ATOM 426 O GLN A 31 6.809 17.373 1.548 1.00 0.00 O ATOM 427 CB GLN A 31 9.603 18.015 0.246 1.00 0.00 C ATOM 428 CG GLN A 31 9.555 18.626 -1.145 1.00 0.00 C ATOM 429 CD GLN A 31 10.670 18.124 -2.041 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.422 17.616 -3.135 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.908 18.263 -1.582 1.00 0.00 N ATOM 0 H GLN A 31 9.357 16.330 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 31 9.106 16.199 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.223 18.740 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.642 17.817 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.594 18.398 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.620 19.711 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.069 18.690 -0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.698 17.943 -2.142 1.00 0.00 H new ATOM 440 N THR A 32 6.611 16.928 -0.649 1.00 0.00 N ATOM 441 CA THR A 32 5.181 17.205 -0.687 1.00 0.00 C ATOM 442 C THR A 32 4.403 16.008 -1.220 1.00 0.00 C ATOM 443 O THR A 32 3.186 15.919 -1.051 1.00 0.00 O ATOM 444 CB THR A 32 4.869 18.435 -1.559 1.00 0.00 C ATOM 445 OG1 THR A 32 5.498 18.300 -2.838 1.00 0.00 O ATOM 446 CG2 THR A 32 5.349 19.712 -0.885 1.00 0.00 C ATOM 0 H THR A 32 7.010 16.650 -1.546 1.00 0.00 H new ATOM 0 HA THR A 32 4.872 17.409 0.338 1.00 0.00 H new ATOM 0 HB THR A 32 3.789 18.496 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.294 19.085 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.118 20.567 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.847 19.827 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.426 19.658 -0.728 1.00 0.00 H new ATOM 454 N THR A 33 5.112 15.087 -1.866 1.00 0.00 N ATOM 455 CA THR A 33 4.488 13.894 -2.425 1.00 0.00 C ATOM 456 C THR A 33 5.201 12.631 -1.959 1.00 0.00 C ATOM 457 O THR A 33 6.317 12.690 -1.445 1.00 0.00 O ATOM 458 CB THR A 33 4.486 13.931 -3.966 1.00 0.00 C ATOM 459 OG1 THR A 33 5.743 14.421 -4.445 1.00 0.00 O ATOM 460 CG2 THR A 33 3.362 14.814 -4.485 1.00 0.00 C ATOM 0 H THR A 33 6.119 15.145 -2.015 1.00 0.00 H new ATOM 0 HA THR A 33 3.458 13.879 -2.068 1.00 0.00 H new ATOM 0 HB THR A 33 4.328 12.916 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.735 14.440 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.381 14.824 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.404 14.423 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.494 15.829 -4.110 1.00 0.00 H new ATOM 468 N ALA A 34 4.548 11.487 -2.142 1.00 0.00 N ATOM 469 CA ALA A 34 5.122 10.208 -1.743 1.00 0.00 C ATOM 470 C ALA A 34 4.446 9.052 -2.473 1.00 0.00 C ATOM 471 O ALA A 34 3.245 8.827 -2.324 1.00 0.00 O ATOM 472 CB ALA A 34 5.005 10.025 -0.237 1.00 0.00 C ATOM 0 H ALA A 34 3.622 11.421 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 34 6.177 10.209 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.437 9.066 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.539 10.829 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.954 10.049 0.052 1.00 0.00 H new ATOM 478 N LYS A 35 5.226 8.321 -3.262 1.00 0.00 N ATOM 479 CA LYS A 35 4.705 7.186 -4.015 1.00 0.00 C ATOM 480 C LYS A 35 4.813 5.899 -3.205 1.00 0.00 C ATOM 481 O LYS A 35 5.825 5.648 -2.550 1.00 0.00 O ATOM 482 CB LYS A 35 5.461 7.035 -5.337 1.00 0.00 C ATOM 483 CG LYS A 35 4.808 6.061 -6.303 1.00 0.00 C ATOM 484 CD LYS A 35 5.538 6.025 -7.636 1.00 0.00 C ATOM 485 CE LYS A 35 5.147 7.201 -8.518 1.00 0.00 C ATOM 486 NZ LYS A 35 6.114 7.404 -9.632 1.00 0.00 N ATOM 0 H LYS A 35 6.222 8.494 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 35 3.652 7.374 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.538 8.011 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.477 6.701 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.799 5.063 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.769 6.348 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.614 6.041 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.311 5.091 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.151 7.032 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.094 8.107 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.061 8.388 -9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.078 7.203 -9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.880 6.762 -10.416 1.00 0.00 H new ATOM 500 N VAL A 36 3.764 5.084 -3.254 1.00 0.00 N ATOM 501 CA VAL A 36 3.742 3.821 -2.526 1.00 0.00 C ATOM 502 C VAL A 36 3.509 2.647 -3.470 1.00 0.00 C ATOM 503 O VAL A 36 2.422 2.489 -4.025 1.00 0.00 O ATOM 504 CB VAL A 36 2.649 3.818 -1.441 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.308 4.225 -2.032 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.556 2.449 -0.783 1.00 0.00 C ATOM 0 H VAL A 36 2.918 5.276 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 36 4.716 3.713 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 36 2.919 4.547 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.548 4.217 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.385 5.228 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.028 3.523 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.779 2.465 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.310 1.700 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.512 2.201 -0.323 1.00 0.00 H new ATOM 516 N SER A 37 4.539 1.825 -3.648 1.00 0.00 N ATOM 517 CA SER A 37 4.449 0.666 -4.528 1.00 0.00 C ATOM 518 C SER A 37 4.390 -0.627 -3.720 1.00 0.00 C ATOM 519 O SER A 37 5.288 -0.919 -2.928 1.00 0.00 O ATOM 520 CB SER A 37 5.643 0.630 -5.483 1.00 0.00 C ATOM 521 OG SER A 37 5.543 -0.459 -6.385 1.00 0.00 O ATOM 0 H SER A 37 5.445 1.941 -3.194 1.00 0.00 H new ATOM 0 HA SER A 37 3.531 0.753 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.694 1.565 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.567 0.549 -4.911 1.00 0.00 H new ATOM 0 HG SER A 37 6.317 -0.458 -6.986 1.00 0.00 H new ATOM 527 N PHE A 38 3.329 -1.398 -3.925 1.00 0.00 N ATOM 528 CA PHE A 38 3.151 -2.660 -3.215 1.00 0.00 C ATOM 529 C PHE A 38 2.852 -3.795 -4.191 1.00 0.00 C ATOM 530 O PHE A 38 2.795 -3.588 -5.403 1.00 0.00 O ATOM 531 CB PHE A 38 2.018 -2.539 -2.193 1.00 0.00 C ATOM 532 CG PHE A 38 0.769 -1.922 -2.753 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.627 -0.546 -2.814 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.264 -2.720 -3.218 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.522 0.026 -3.328 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.415 -2.155 -3.735 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.544 -0.780 -3.788 1.00 0.00 C ATOM 0 H PHE A 38 2.578 -1.172 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 38 4.080 -2.889 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.782 -3.530 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.363 -1.941 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.424 0.089 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.169 -3.795 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.620 1.101 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.212 -2.787 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.443 -0.337 -4.189 1.00 0.00 H new ATOM 547 N ASN A 39 2.663 -4.995 -3.652 1.00 0.00 N ATOM 548 CA ASN A 39 2.372 -6.165 -4.474 1.00 0.00 C ATOM 549 C ASN A 39 1.052 -6.807 -4.057 1.00 0.00 C ATOM 550 O ASN A 39 0.665 -6.754 -2.889 1.00 0.00 O ATOM 551 CB ASN A 39 3.506 -7.186 -4.366 1.00 0.00 C ATOM 552 CG ASN A 39 4.860 -6.582 -4.685 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.070 -6.040 -5.770 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.788 -6.674 -3.739 1.00 0.00 N ATOM 0 H ASN A 39 2.706 -5.183 -2.650 1.00 0.00 H new ATOM 0 HA ASN A 39 2.286 -5.838 -5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.524 -7.600 -3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.311 -8.015 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.718 -6.287 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.570 -7.132 -2.854 1.00 0.00 H new ATOM 561 N LYS A 40 0.366 -7.414 -5.019 1.00 0.00 N ATOM 562 CA LYS A 40 -0.909 -8.069 -4.754 1.00 0.00 C ATOM 563 C LYS A 40 -0.812 -8.972 -3.528 1.00 0.00 C ATOM 564 O LYS A 40 0.252 -9.494 -3.195 1.00 0.00 O ATOM 565 CB LYS A 40 -1.348 -8.888 -5.970 1.00 0.00 C ATOM 566 CG LYS A 40 -1.574 -8.051 -7.218 1.00 0.00 C ATOM 567 CD LYS A 40 -2.635 -8.663 -8.115 1.00 0.00 C ATOM 568 CE LYS A 40 -3.383 -7.598 -8.903 1.00 0.00 C ATOM 569 NZ LYS A 40 -4.566 -7.086 -8.158 1.00 0.00 N ATOM 0 H LYS A 40 0.672 -7.466 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.652 -7.296 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.591 -9.643 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.269 -9.419 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.875 -7.043 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.639 -7.959 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.168 -9.366 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.341 -9.232 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.709 -6.771 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.707 -8.013 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.429 -7.266 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.635 -7.571 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.462 -6.063 -8.002 1.00 0.00 H new ATOM 583 N PRO A 41 -1.949 -9.162 -2.841 1.00 0.00 N ATOM 584 CA PRO A 41 -2.018 -10.004 -1.643 1.00 0.00 C ATOM 585 C PRO A 41 -1.848 -11.484 -1.964 1.00 0.00 C ATOM 586 O PRO A 41 -2.432 -11.993 -2.923 1.00 0.00 O ATOM 587 CB PRO A 41 -3.422 -9.732 -1.099 1.00 0.00 C ATOM 588 CG PRO A 41 -4.213 -9.306 -2.287 1.00 0.00 C ATOM 589 CD PRO A 41 -3.253 -8.571 -3.181 1.00 0.00 C ATOM 0 HA PRO A 41 -1.220 -9.774 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.848 -10.624 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.407 -8.955 -0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.642 -10.167 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.043 -8.663 -1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.496 -8.713 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.269 -7.498 -2.992 1.00 0.00 H new ATOM 597 N ASP A 42 -1.047 -12.173 -1.158 1.00 0.00 N ATOM 598 CA ASP A 42 -0.803 -13.597 -1.356 1.00 0.00 C ATOM 599 C ASP A 42 -2.084 -14.316 -1.767 1.00 0.00 C ATOM 600 O ASP A 42 -2.048 -15.280 -2.532 1.00 0.00 O ATOM 601 CB ASP A 42 -0.240 -14.222 -0.079 1.00 0.00 C ATOM 602 CG ASP A 42 0.398 -15.574 -0.328 1.00 0.00 C ATOM 603 OD1 ASP A 42 1.583 -15.608 -0.721 1.00 0.00 O ATOM 604 OD2 ASP A 42 -0.289 -16.600 -0.133 1.00 0.00 O ATOM 0 H ASP A 42 -0.556 -11.768 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.073 -13.707 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.499 -13.549 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.041 -14.331 0.652 1.00 0.00 H new ATOM 609 N SER A 43 -3.214 -13.841 -1.254 1.00 0.00 N ATOM 610 CA SER A 43 -4.506 -14.442 -1.564 1.00 0.00 C ATOM 611 C SER A 43 -5.576 -13.369 -1.742 1.00 0.00 C ATOM 612 O SER A 43 -5.667 -12.429 -0.952 1.00 0.00 O ATOM 613 CB SER A 43 -4.921 -15.411 -0.455 1.00 0.00 C ATOM 614 OG SER A 43 -5.727 -16.457 -0.968 1.00 0.00 O ATOM 0 H SER A 43 -3.261 -13.042 -0.622 1.00 0.00 H new ATOM 0 HA SER A 43 -4.407 -14.992 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.033 -15.830 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.468 -14.871 0.318 1.00 0.00 H new ATOM 0 HG SER A 43 -5.978 -17.064 -0.240 1.00 0.00 H new ATOM 620 N HIS A 44 -6.384 -13.515 -2.788 1.00 0.00 N ATOM 621 CA HIS A 44 -7.448 -12.558 -3.072 1.00 0.00 C ATOM 622 C HIS A 44 -8.771 -13.024 -2.471 1.00 0.00 C ATOM 623 O HIS A 44 -9.658 -12.217 -2.197 1.00 0.00 O ATOM 624 CB HIS A 44 -7.599 -12.365 -4.580 1.00 0.00 C ATOM 625 CG HIS A 44 -8.413 -13.433 -5.242 1.00 0.00 C ATOM 626 ND1 HIS A 44 -9.784 -13.519 -5.121 1.00 0.00 N ATOM 627 CD2 HIS A 44 -8.042 -14.463 -6.039 1.00 0.00 C ATOM 628 CE1 HIS A 44 -10.222 -14.558 -5.811 1.00 0.00 C ATOM 629 NE2 HIS A 44 -9.185 -15.147 -6.379 1.00 0.00 N ATOM 0 H HIS A 44 -6.322 -14.286 -3.452 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.178 -11.605 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.062 -11.397 -4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.609 -12.339 -5.036 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -10.369 -12.880 -4.583 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.036 -14.702 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.252 -14.872 -5.896 1.00 0.00 H new ATOM 638 N GLY A 45 -8.896 -14.332 -2.269 1.00 0.00 N ATOM 639 CA GLY A 45 -10.114 -14.883 -1.704 1.00 0.00 C ATOM 640 C GLY A 45 -10.977 -15.570 -2.744 1.00 0.00 C ATOM 641 O GLY A 45 -10.472 -16.072 -3.747 1.00 0.00 O ATOM 0 H GLY A 45 -8.175 -15.020 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.857 -15.596 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.686 -14.084 -1.232 1.00 0.00 H new ATOM 645 N GLY A 46 -12.285 -15.595 -2.503 1.00 0.00 N ATOM 646 CA GLY A 46 -13.199 -16.229 -3.433 1.00 0.00 C ATOM 647 C GLY A 46 -13.553 -15.331 -4.602 1.00 0.00 C ATOM 648 O GLY A 46 -13.760 -15.805 -5.720 1.00 0.00 O ATOM 0 H GLY A 46 -12.727 -15.187 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.750 -17.149 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.111 -16.511 -2.906 1.00 0.00 H new ATOM 652 N VAL A 47 -13.624 -14.029 -4.346 1.00 0.00 N ATOM 653 CA VAL A 47 -13.956 -13.061 -5.384 1.00 0.00 C ATOM 654 C VAL A 47 -12.743 -12.215 -5.755 1.00 0.00 C ATOM 655 O VAL A 47 -11.858 -11.962 -4.938 1.00 0.00 O ATOM 656 CB VAL A 47 -15.100 -12.131 -4.940 1.00 0.00 C ATOM 657 CG1 VAL A 47 -16.430 -12.868 -4.973 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.825 -11.573 -3.552 1.00 0.00 C ATOM 0 H VAL A 47 -13.456 -13.620 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.279 -13.631 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.157 -11.295 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.227 -12.195 -4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.629 -13.214 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.389 -13.724 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.644 -10.918 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.740 -12.394 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.894 -11.007 -3.565 1.00 0.00 H new ATOM 668 N PRO A 48 -12.699 -11.765 -7.018 1.00 0.00 N ATOM 669 CA PRO A 48 -11.600 -10.939 -7.527 1.00 0.00 C ATOM 670 C PRO A 48 -11.600 -9.538 -6.925 1.00 0.00 C ATOM 671 O PRO A 48 -12.659 -8.949 -6.701 1.00 0.00 O ATOM 672 CB PRO A 48 -11.872 -10.874 -9.032 1.00 0.00 C ATOM 673 CG PRO A 48 -13.340 -11.092 -9.162 1.00 0.00 C ATOM 674 CD PRO A 48 -13.720 -12.028 -8.047 1.00 0.00 C ATOM 0 HA PRO A 48 -10.626 -11.357 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.577 -9.910 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.309 -11.638 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.883 -10.150 -9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.586 -11.521 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.725 -11.825 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.704 -13.068 -8.372 1.00 0.00 H new ATOM 682 N ILE A 49 -10.410 -9.010 -6.664 1.00 0.00 N ATOM 683 CA ILE A 49 -10.275 -7.678 -6.089 1.00 0.00 C ATOM 684 C ILE A 49 -10.807 -6.612 -7.040 1.00 0.00 C ATOM 685 O ILE A 49 -10.769 -6.777 -8.260 1.00 0.00 O ATOM 686 CB ILE A 49 -8.807 -7.358 -5.749 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.311 -8.271 -4.626 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.662 -5.896 -5.353 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.803 -8.353 -4.536 1.00 0.00 C ATOM 0 H ILE A 49 -9.525 -9.484 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.863 -7.670 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.197 -7.537 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.705 -7.911 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.713 -9.273 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.619 -5.685 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.981 -5.262 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.281 -5.693 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.523 -9.017 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.403 -8.742 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.395 -7.359 -4.352 1.00 0.00 H new ATOM 701 N HIS A 50 -11.304 -5.516 -6.475 1.00 0.00 N ATOM 702 CA HIS A 50 -11.844 -4.421 -7.273 1.00 0.00 C ATOM 703 C HIS A 50 -10.871 -3.246 -7.311 1.00 0.00 C ATOM 704 O HIS A 50 -10.559 -2.720 -8.380 1.00 0.00 O ATOM 705 CB HIS A 50 -13.189 -3.966 -6.708 1.00 0.00 C ATOM 706 CG HIS A 50 -14.358 -4.728 -7.254 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.503 -4.972 -6.526 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.553 -5.301 -8.464 1.00 0.00 C ATOM 709 CE1 HIS A 50 -16.352 -5.663 -7.264 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.800 -5.876 -8.446 1.00 0.00 N ATOM 0 H HIS A 50 -11.344 -5.363 -5.467 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.990 -4.783 -8.291 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.172 -4.071 -5.623 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.324 -2.906 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.857 -5.305 -9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -17.331 -5.997 -6.955 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.230 -6.384 -9.219 1.00 0.00 H new ATOM 719 N HIS A 51 -10.395 -2.840 -6.138 1.00 0.00 N ATOM 720 CA HIS A 51 -9.457 -1.727 -6.038 1.00 0.00 C ATOM 721 C HIS A 51 -8.724 -1.754 -4.700 1.00 0.00 C ATOM 722 O HIS A 51 -9.007 -2.590 -3.842 1.00 0.00 O ATOM 723 CB HIS A 51 -10.193 -0.397 -6.204 1.00 0.00 C ATOM 724 CG HIS A 51 -11.234 -0.154 -5.156 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.410 -0.871 -5.084 1.00 0.00 N ATOM 726 CD2 HIS A 51 -11.273 0.732 -4.134 1.00 0.00 C ATOM 727 CE1 HIS A 51 -13.127 -0.435 -4.064 1.00 0.00 C ATOM 728 NE2 HIS A 51 -12.459 0.538 -3.470 1.00 0.00 N ATOM 0 H HIS A 51 -10.643 -3.264 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.722 -1.829 -6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.467 0.416 -6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.665 -0.373 -7.186 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.512 1.457 -3.886 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.095 -0.810 -3.766 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.773 1.060 -2.652 1.00 0.00 H new ATOM 737 N TYR A 52 -7.781 -0.833 -4.530 1.00 0.00 N ATOM 738 CA TYR A 52 -7.005 -0.753 -3.298 1.00 0.00 C ATOM 739 C TYR A 52 -7.345 0.516 -2.521 1.00 0.00 C ATOM 740 O TYR A 52 -7.490 1.591 -3.102 1.00 0.00 O ATOM 741 CB TYR A 52 -5.509 -0.787 -3.610 1.00 0.00 C ATOM 742 CG TYR A 52 -5.001 -2.158 -3.995 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.689 -3.102 -3.025 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.833 -2.510 -5.329 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.225 -4.357 -3.371 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.371 -3.762 -5.685 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.068 -4.682 -4.702 1.00 0.00 C ATOM 748 OH TYR A 52 -3.605 -5.930 -5.053 1.00 0.00 O ATOM 0 H TYR A 52 -7.536 -0.132 -5.229 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.261 -1.615 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.300 -0.090 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.957 -0.436 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.811 -2.851 -1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.068 -1.792 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.987 -5.079 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.248 -4.019 -6.727 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.553 -5.997 -6.029 1.00 0.00 H new ATOM 758 N GLN A 53 -7.470 0.380 -1.205 1.00 0.00 N ATOM 759 CA GLN A 53 -7.793 1.515 -0.348 1.00 0.00 C ATOM 760 C GLN A 53 -6.584 1.929 0.485 1.00 0.00 C ATOM 761 O GLN A 53 -6.118 1.174 1.338 1.00 0.00 O ATOM 762 CB GLN A 53 -8.967 1.170 0.569 1.00 0.00 C ATOM 763 CG GLN A 53 -9.780 2.381 0.998 1.00 0.00 C ATOM 764 CD GLN A 53 -9.241 3.029 2.259 1.00 0.00 C ATOM 765 OE1 GLN A 53 -8.117 3.532 2.280 1.00 0.00 O ATOM 766 NE2 GLN A 53 -10.042 3.020 3.318 1.00 0.00 N ATOM 0 H GLN A 53 -7.353 -0.504 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.075 2.353 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.622 0.466 0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.587 0.664 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.786 3.114 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.815 2.080 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.966 2.592 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.734 3.441 4.194 1.00 0.00 H new ATOM 775 N VAL A 54 -6.081 3.133 0.232 1.00 0.00 N ATOM 776 CA VAL A 54 -4.927 3.648 0.960 1.00 0.00 C ATOM 777 C VAL A 54 -5.329 4.783 1.895 1.00 0.00 C ATOM 778 O VAL A 54 -6.070 5.687 1.508 1.00 0.00 O ATOM 779 CB VAL A 54 -3.836 4.151 -0.003 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.624 4.642 0.774 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.444 3.057 -0.983 1.00 0.00 C ATOM 0 H VAL A 54 -6.454 3.770 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.528 2.822 1.548 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.237 4.989 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.863 4.994 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.920 5.460 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.219 3.825 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.672 3.431 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.061 2.197 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.317 2.758 -1.563 1.00 0.00 H new ATOM 791 N ASP A 55 -4.835 4.730 3.127 1.00 0.00 N ATOM 792 CA ASP A 55 -5.141 5.755 4.118 1.00 0.00 C ATOM 793 C ASP A 55 -3.862 6.330 4.718 1.00 0.00 C ATOM 794 O ASP A 55 -3.073 5.610 5.330 1.00 0.00 O ATOM 795 CB ASP A 55 -6.023 5.177 5.226 1.00 0.00 C ATOM 796 CG ASP A 55 -6.917 4.057 4.729 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.380 3.058 4.205 1.00 0.00 O ATOM 798 OD2 ASP A 55 -8.152 4.179 4.865 1.00 0.00 O ATOM 0 H ASP A 55 -4.221 3.988 3.463 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.680 6.559 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.391 4.803 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.640 5.971 5.647 1.00 0.00 H new ATOM 803 N VAL A 56 -3.661 7.631 4.536 1.00 0.00 N ATOM 804 CA VAL A 56 -2.478 8.304 5.060 1.00 0.00 C ATOM 805 C VAL A 56 -2.862 9.511 5.907 1.00 0.00 C ATOM 806 O VAL A 56 -3.881 10.156 5.665 1.00 0.00 O ATOM 807 CB VAL A 56 -1.546 8.763 3.923 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.179 9.904 3.141 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.191 9.175 4.480 1.00 0.00 C ATOM 0 H VAL A 56 -4.303 8.241 4.029 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.951 7.581 5.683 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.395 7.927 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.506 10.215 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.123 9.570 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.362 10.746 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.456 9.497 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.322 9.996 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.265 8.327 4.992 1.00 0.00 H new ATOM 819 N LYS A 57 -2.037 9.811 6.906 1.00 0.00 N ATOM 820 CA LYS A 57 -2.287 10.942 7.790 1.00 0.00 C ATOM 821 C LYS A 57 -1.074 11.222 8.673 1.00 0.00 C ATOM 822 O LYS A 57 -0.137 10.427 8.723 1.00 0.00 O ATOM 823 CB LYS A 57 -3.514 10.671 8.664 1.00 0.00 C ATOM 824 CG LYS A 57 -3.185 9.989 9.980 1.00 0.00 C ATOM 825 CD LYS A 57 -4.415 9.857 10.862 1.00 0.00 C ATOM 826 CE LYS A 57 -4.197 8.841 11.974 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.201 9.317 12.973 1.00 0.00 N ATOM 0 H LYS A 57 -1.190 9.286 7.123 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.475 11.819 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.018 11.615 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.216 10.049 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.768 9.001 9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.419 10.560 10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.658 10.827 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.269 9.556 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.145 8.640 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.858 7.899 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.056 8.583 13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.299 9.517 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.552 10.184 13.427 1.00 0.00 H new ATOM 841 N GLU A 58 -1.101 12.356 9.366 1.00 0.00 N ATOM 842 CA GLU A 58 -0.002 12.739 10.245 1.00 0.00 C ATOM 843 C GLU A 58 -0.044 11.941 11.546 1.00 0.00 C ATOM 844 O GLU A 58 -1.115 11.691 12.099 1.00 0.00 O ATOM 845 CB GLU A 58 -0.063 14.237 10.551 1.00 0.00 C ATOM 846 CG GLU A 58 0.713 15.091 9.563 1.00 0.00 C ATOM 847 CD GLU A 58 0.234 16.529 9.532 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.835 16.787 8.939 1.00 0.00 O ATOM 849 OE2 GLU A 58 0.927 17.398 10.102 1.00 0.00 O ATOM 0 H GLU A 58 -1.871 13.025 9.336 1.00 0.00 H new ATOM 0 HA GLU A 58 0.934 12.518 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.105 14.557 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.327 14.411 11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.771 15.070 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.622 14.660 8.566 1.00 0.00 H new ATOM 856 N VAL A 59 1.129 11.545 12.028 1.00 0.00 N ATOM 857 CA VAL A 59 1.229 10.776 13.263 1.00 0.00 C ATOM 858 C VAL A 59 0.616 11.536 14.434 1.00 0.00 C ATOM 859 O VAL A 59 0.369 10.966 15.497 1.00 0.00 O ATOM 860 CB VAL A 59 2.693 10.435 13.596 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.559 11.684 13.536 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.788 9.776 14.964 1.00 0.00 C ATOM 0 H VAL A 59 2.024 11.744 11.582 1.00 0.00 H new ATOM 0 HA VAL A 59 0.676 9.850 13.105 1.00 0.00 H new ATOM 0 HB VAL A 59 3.062 9.730 12.851 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.590 11.424 13.774 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.515 12.110 12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.194 12.415 14.257 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.830 9.542 15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.401 10.456 15.723 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.201 8.858 14.967 1.00 0.00 H new ATOM 872 N ALA A 60 0.372 12.827 14.232 1.00 0.00 N ATOM 873 CA ALA A 60 -0.214 13.665 15.270 1.00 0.00 C ATOM 874 C ALA A 60 -1.700 13.897 15.015 1.00 0.00 C ATOM 875 O ALA A 60 -2.494 13.981 15.952 1.00 0.00 O ATOM 876 CB ALA A 60 0.522 14.994 15.353 1.00 0.00 C ATOM 0 H ALA A 60 0.571 13.315 13.359 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.112 13.145 16.222 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.074 15.610 16.132 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.571 14.815 15.590 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.450 15.510 14.396 1.00 0.00 H new ATOM 882 N SER A 61 -2.068 13.999 13.743 1.00 0.00 N ATOM 883 CA SER A 61 -3.458 14.225 13.365 1.00 0.00 C ATOM 884 C SER A 61 -4.282 12.952 13.537 1.00 0.00 C ATOM 885 O SER A 61 -3.749 11.898 13.885 1.00 0.00 O ATOM 886 CB SER A 61 -3.544 14.709 11.916 1.00 0.00 C ATOM 887 OG SER A 61 -4.891 14.800 11.487 1.00 0.00 O ATOM 0 H SER A 61 -1.423 13.929 12.956 1.00 0.00 H new ATOM 0 HA SER A 61 -3.866 14.993 14.022 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.064 15.683 11.826 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.998 14.024 11.268 1.00 0.00 H new ATOM 0 HG SER A 61 -4.918 15.113 10.559 1.00 0.00 H new ATOM 893 N GLU A 62 -5.584 13.058 13.289 1.00 0.00 N ATOM 894 CA GLU A 62 -6.481 11.916 13.417 1.00 0.00 C ATOM 895 C GLU A 62 -7.224 11.659 12.109 1.00 0.00 C ATOM 896 O GLU A 62 -7.622 10.530 11.822 1.00 0.00 O ATOM 897 CB GLU A 62 -7.484 12.151 14.548 1.00 0.00 C ATOM 898 CG GLU A 62 -8.408 10.972 14.799 1.00 0.00 C ATOM 899 CD GLU A 62 -9.620 11.345 15.630 1.00 0.00 C ATOM 900 OE1 GLU A 62 -10.583 11.898 15.061 1.00 0.00 O ATOM 901 OE2 GLU A 62 -9.604 11.084 16.851 1.00 0.00 O ATOM 0 H GLU A 62 -6.040 13.923 12.999 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.879 11.038 13.652 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.939 12.375 15.465 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.085 13.029 14.312 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.739 10.565 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.854 10.183 15.307 1.00 0.00 H new ATOM 908 N ILE A 63 -7.407 12.714 11.323 1.00 0.00 N ATOM 909 CA ILE A 63 -8.102 12.603 10.046 1.00 0.00 C ATOM 910 C ILE A 63 -7.339 11.700 9.082 1.00 0.00 C ATOM 911 O ILE A 63 -6.174 11.950 8.772 1.00 0.00 O ATOM 912 CB ILE A 63 -8.300 13.982 9.391 1.00 0.00 C ATOM 913 CG1 ILE A 63 -9.109 14.897 10.313 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.992 13.834 8.044 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.950 16.367 9.996 1.00 0.00 C ATOM 0 H ILE A 63 -7.084 13.655 11.547 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.078 12.166 10.255 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.322 14.434 9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.163 14.630 10.242 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.804 14.721 11.345 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.125 14.817 7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.382 13.214 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.966 13.365 8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.551 16.956 10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.902 16.649 10.095 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.282 16.557 8.975 1.00 0.00 H new ATOM 927 N TRP A 64 -8.003 10.651 8.611 1.00 0.00 N ATOM 928 CA TRP A 64 -7.388 9.712 7.681 1.00 0.00 C ATOM 929 C TRP A 64 -7.720 10.078 6.238 1.00 0.00 C ATOM 930 O TRP A 64 -8.884 10.067 5.837 1.00 0.00 O ATOM 931 CB TRP A 64 -7.856 8.287 7.979 1.00 0.00 C ATOM 932 CG TRP A 64 -7.140 7.656 9.135 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.528 7.670 10.445 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.912 6.921 9.086 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.615 6.988 11.212 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.616 6.518 10.403 1.00 0.00 C ATOM 937 CE3 TRP A 64 -5.037 6.562 8.058 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.479 5.777 10.715 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.909 5.827 8.369 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.639 5.439 9.688 1.00 0.00 C ATOM 0 H TRP A 64 -8.968 10.429 8.858 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.307 9.767 7.810 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.926 8.300 8.187 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.711 7.671 7.091 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.421 8.147 10.822 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.672 6.854 12.221 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.239 6.854 7.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.267 5.479 11.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.224 5.547 7.582 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.751 4.862 9.899 1.00 0.00 H new ATOM 951 N LYS A 65 -6.691 10.400 5.462 1.00 0.00 N ATOM 952 CA LYS A 65 -6.874 10.768 4.063 1.00 0.00 C ATOM 953 C LYS A 65 -6.958 9.527 3.180 1.00 0.00 C ATOM 954 O LYS A 65 -6.024 8.726 3.128 1.00 0.00 O ATOM 955 CB LYS A 65 -5.723 11.662 3.595 1.00 0.00 C ATOM 956 CG LYS A 65 -5.872 13.114 4.013 1.00 0.00 C ATOM 957 CD LYS A 65 -6.711 13.898 3.018 1.00 0.00 C ATOM 958 CE LYS A 65 -8.198 13.685 3.252 1.00 0.00 C ATOM 959 NZ LYS A 65 -9.004 14.851 2.797 1.00 0.00 N ATOM 0 H LYS A 65 -5.721 10.414 5.778 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.812 11.317 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.786 11.272 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.653 11.611 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.334 13.164 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.886 13.572 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.477 14.959 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.454 13.593 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.524 12.790 2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.377 13.511 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.012 14.666 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.711 15.701 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.853 15.001 1.779 1.00 0.00 H new ATOM 973 N ILE A 66 -8.081 9.374 2.488 1.00 0.00 N ATOM 974 CA ILE A 66 -8.286 8.232 1.606 1.00 0.00 C ATOM 975 C ILE A 66 -7.954 8.588 0.161 1.00 0.00 C ATOM 976 O ILE A 66 -8.371 9.629 -0.346 1.00 0.00 O ATOM 977 CB ILE A 66 -9.736 7.718 1.676 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.096 7.337 3.114 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.923 6.530 0.745 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.260 6.205 3.667 1.00 0.00 C ATOM 0 H ILE A 66 -8.864 10.027 2.521 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.614 7.445 1.948 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.405 8.516 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.977 8.212 3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.148 7.054 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.953 6.178 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.703 6.832 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.247 5.727 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.570 5.989 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.398 5.316 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.209 6.492 3.660 1.00 0.00 H new ATOM 992 N VAL A 67 -7.201 7.713 -0.500 1.00 0.00 N ATOM 993 CA VAL A 67 -6.815 7.932 -1.888 1.00 0.00 C ATOM 994 C VAL A 67 -6.999 6.665 -2.716 1.00 0.00 C ATOM 995 O VAL A 67 -6.171 5.755 -2.668 1.00 0.00 O ATOM 996 CB VAL A 67 -5.350 8.395 -1.997 1.00 0.00 C ATOM 997 CG1 VAL A 67 -4.940 8.529 -3.456 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.151 9.708 -1.256 1.00 0.00 C ATOM 0 H VAL A 67 -6.847 6.846 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.466 8.715 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.713 7.642 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.902 8.857 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.044 7.565 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.580 9.262 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.110 10.021 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.797 10.472 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.403 9.574 -0.204 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.088 6.614 -3.476 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.381 5.458 -4.315 1.00 0.00 C ATOM 1010 C ARG A 68 -7.687 5.579 -5.669 1.00 0.00 C ATOM 1011 O ARG A 68 -7.557 6.675 -6.216 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.890 5.315 -4.514 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.639 4.936 -3.247 1.00 0.00 C ATOM 1014 CD ARG A 68 -12.065 5.465 -3.263 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.112 6.902 -3.518 1.00 0.00 N ATOM 1016 CZ ARG A 68 -13.242 7.595 -3.607 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.411 6.986 -3.461 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -13.204 8.900 -3.841 1.00 0.00 N ATOM 0 H ARG A 68 -8.782 7.360 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.003 4.569 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.288 6.256 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.077 4.559 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.653 3.851 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.112 5.333 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.637 4.942 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.542 5.251 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.230 7.401 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.444 5.983 -3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.277 7.521 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.307 9.372 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.072 9.431 -3.909 1.00 0.00 H new ATOM 1032 N SER A 69 -7.243 4.446 -6.204 1.00 0.00 N ATOM 1033 CA SER A 69 -6.559 4.426 -7.491 1.00 0.00 C ATOM 1034 C SER A 69 -7.555 4.240 -8.632 1.00 0.00 C ATOM 1035 O SER A 69 -8.702 3.849 -8.414 1.00 0.00 O ATOM 1036 CB SER A 69 -5.518 3.306 -7.522 1.00 0.00 C ATOM 1037 OG SER A 69 -6.138 2.033 -7.569 1.00 0.00 O ATOM 0 H SER A 69 -7.345 3.530 -5.766 1.00 0.00 H new ATOM 0 HA SER A 69 -6.056 5.384 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.871 3.431 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.882 3.372 -6.639 1.00 0.00 H new ATOM 0 HG SER A 69 -6.349 1.806 -8.499 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.108 4.524 -9.852 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.959 4.389 -11.029 1.00 0.00 C ATOM 1045 C HIS A 70 -8.374 2.936 -11.234 1.00 0.00 C ATOM 1046 O HIS A 70 -9.562 2.624 -11.313 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.232 4.905 -12.271 1.00 0.00 C ATOM 1048 CG HIS A 70 -7.172 6.399 -12.354 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -7.845 7.127 -13.313 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -6.517 7.303 -11.588 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -7.603 8.414 -13.135 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -6.800 8.547 -12.094 1.00 0.00 N ATOM 0 H HIS A 70 -6.162 4.849 -10.051 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.857 4.986 -10.869 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.217 4.508 -12.278 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.731 4.520 -13.160 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.889 7.086 -10.737 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.995 9.220 -13.738 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.448 9.431 -11.726 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.386 2.049 -11.322 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.670 0.640 -11.518 1.00 0.00 C ATOM 1063 C GLY A 71 -7.171 -0.218 -10.372 1.00 0.00 C ATOM 1064 O GLY A 71 -7.123 0.231 -9.227 1.00 0.00 O ATOM 0 H GLY A 71 -6.395 2.282 -11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.745 0.502 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.207 0.305 -12.446 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.798 -1.456 -10.680 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.301 -2.378 -9.667 1.00 0.00 C ATOM 1070 C VAL A 72 -4.780 -2.317 -9.566 1.00 0.00 C ATOM 1071 O VAL A 72 -4.130 -3.307 -9.233 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.726 -3.827 -9.971 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.241 -3.958 -9.937 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.173 -4.274 -11.315 1.00 0.00 C ATOM 0 H VAL A 72 -6.831 -1.843 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.738 -2.070 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.312 -4.477 -9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.522 -4.989 -10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.608 -3.682 -8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.680 -3.297 -10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.483 -5.300 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.554 -3.622 -12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.084 -4.221 -11.296 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.221 -1.147 -9.856 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.777 -0.957 -9.799 1.00 0.00 C ATOM 1086 C GLN A 73 -2.293 -0.899 -8.354 1.00 0.00 C ATOM 1087 O GLN A 73 -3.037 -0.513 -7.452 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.380 0.326 -10.533 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.018 1.580 -9.956 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.212 2.667 -10.994 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -2.734 3.789 -10.831 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.918 2.339 -12.069 1.00 0.00 N ATOM 0 H GLN A 73 -4.746 -0.317 -10.133 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.304 -1.809 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.296 0.432 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.660 0.236 -11.582 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.983 1.324 -9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.394 1.962 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.296 1.396 -12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.083 3.030 -12.801 1.00 0.00 H new ATOM 1101 N THR A 74 -1.039 -1.287 -8.139 1.00 0.00 N ATOM 1102 CA THR A 74 -0.455 -1.282 -6.804 1.00 0.00 C ATOM 1103 C THR A 74 0.492 -0.102 -6.623 1.00 0.00 C ATOM 1104 O THR A 74 1.231 -0.032 -5.641 1.00 0.00 O ATOM 1105 CB THR A 74 0.310 -2.588 -6.520 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.467 -2.671 -7.360 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.581 -3.799 -6.755 1.00 0.00 C ATOM 0 H THR A 74 -0.409 -1.609 -8.873 1.00 0.00 H new ATOM 0 HA THR A 74 -1.281 -1.193 -6.098 1.00 0.00 H new ATOM 0 HB THR A 74 0.620 -2.582 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.241 -2.946 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.019 -4.710 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.446 -3.748 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.917 -3.808 -7.792 1.00 0.00 H new ATOM 1115 N MET A 75 0.464 0.825 -7.575 1.00 0.00 N ATOM 1116 CA MET A 75 1.321 2.004 -7.518 1.00 0.00 C ATOM 1117 C MET A 75 0.487 3.281 -7.500 1.00 0.00 C ATOM 1118 O MET A 75 -0.343 3.505 -8.381 1.00 0.00 O ATOM 1119 CB MET A 75 2.279 2.024 -8.711 1.00 0.00 C ATOM 1120 CG MET A 75 3.590 2.737 -8.426 1.00 0.00 C ATOM 1121 SD MET A 75 4.898 2.273 -9.578 1.00 0.00 S ATOM 1122 CE MET A 75 5.323 3.871 -10.268 1.00 0.00 C ATOM 0 H MET A 75 -0.142 0.783 -8.394 1.00 0.00 H new ATOM 0 HA MET A 75 1.901 1.956 -6.597 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.491 0.998 -9.013 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.787 2.509 -9.554 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.432 3.814 -8.477 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.909 2.509 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.435 3.782 -11.349 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.532 4.587 -10.043 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.260 4.217 -9.833 1.00 0.00 H new ATOM 1132 N VAL A 76 0.712 4.116 -6.490 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.017 5.371 -6.358 1.00 0.00 C ATOM 1134 C VAL A 76 0.867 6.461 -5.763 1.00 0.00 C ATOM 1135 O VAL A 76 1.767 6.182 -4.971 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.268 5.202 -5.476 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -1.916 6.551 -5.205 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.257 4.248 -6.130 1.00 0.00 C ATOM 0 H VAL A 76 1.394 3.945 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.325 5.665 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.963 4.774 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.798 6.412 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.206 7.199 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.209 7.010 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.135 4.141 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.559 4.645 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.787 3.274 -6.267 1.00 0.00 H new ATOM 1148 N VAL A 77 0.605 7.705 -6.151 1.00 0.00 N ATOM 1149 CA VAL A 77 1.375 8.839 -5.655 1.00 0.00 C ATOM 1150 C VAL A 77 0.538 9.706 -4.722 1.00 0.00 C ATOM 1151 O VAL A 77 -0.574 10.112 -5.063 1.00 0.00 O ATOM 1152 CB VAL A 77 1.902 9.708 -6.812 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.825 10.672 -7.289 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.152 10.463 -6.385 1.00 0.00 C ATOM 0 H VAL A 77 -0.135 7.953 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 77 2.221 8.430 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 77 2.166 9.054 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.215 11.278 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.040 10.108 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.528 11.322 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.511 11.072 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.916 11.107 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.926 9.752 -6.096 1.00 0.00 H new ATOM 1164 N LEU A 78 1.079 9.990 -3.542 1.00 0.00 N ATOM 1165 CA LEU A 78 0.383 10.810 -2.557 1.00 0.00 C ATOM 1166 C LEU A 78 0.779 12.277 -2.693 1.00 0.00 C ATOM 1167 O LEU A 78 1.914 12.593 -3.045 1.00 0.00 O ATOM 1168 CB LEU A 78 0.690 10.317 -1.142 1.00 0.00 C ATOM 1169 CG LEU A 78 0.132 8.941 -0.776 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.663 8.493 0.577 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.389 8.965 -0.773 1.00 0.00 C ATOM 0 H LEU A 78 1.998 9.664 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.688 10.722 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.772 10.294 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.300 11.046 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 78 0.462 8.225 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.255 7.512 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.751 8.435 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.364 9.211 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.768 7.977 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.740 9.694 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.750 9.241 -1.764 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.165 13.169 -2.410 1.00 0.00 N ATOM 1184 CA ASN A 79 0.086 14.603 -2.499 1.00 0.00 C ATOM 1185 C ASN A 79 -0.514 15.335 -1.302 1.00 0.00 C ATOM 1186 O ASN A 79 -1.109 14.719 -0.420 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.496 15.164 -3.798 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.739 14.418 -4.244 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -1.911 14.127 -5.428 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -2.614 14.107 -3.295 1.00 0.00 N ATOM 0 H ASN A 79 -1.111 12.924 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 79 1.165 14.759 -2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.738 16.218 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.258 15.111 -4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.470 13.607 -3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.430 14.368 -2.326 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.352 16.654 -1.281 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.877 17.471 -0.193 1.00 0.00 C ATOM 1199 C ASN A 80 -0.238 17.082 1.136 1.00 0.00 C ATOM 1200 O ASN A 80 -0.934 16.775 2.106 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.397 17.324 -0.105 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.085 17.627 -1.422 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.010 18.744 -1.933 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -3.761 16.628 -1.979 1.00 0.00 N ATOM 0 H ASN A 80 0.138 17.180 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.632 18.512 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.644 16.309 0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.780 17.994 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.244 16.771 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.796 15.718 -1.520 1.00 0.00 H new ATOM 1211 N LEU A 81 1.089 17.096 1.175 1.00 0.00 N ATOM 1212 CA LEU A 81 1.822 16.745 2.387 1.00 0.00 C ATOM 1213 C LEU A 81 2.844 17.822 2.736 1.00 0.00 C ATOM 1214 O LEU A 81 3.442 18.434 1.852 1.00 0.00 O ATOM 1215 CB LEU A 81 2.525 15.398 2.209 1.00 0.00 C ATOM 1216 CG LEU A 81 1.747 14.332 1.437 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.652 13.160 1.086 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.547 13.858 2.245 1.00 0.00 C ATOM 0 H LEU A 81 1.680 17.346 0.382 1.00 0.00 H new ATOM 0 HA LEU A 81 1.107 16.670 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.472 15.570 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.763 15.002 3.196 1.00 0.00 H new ATOM 0 HG LEU A 81 1.384 14.775 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.081 12.411 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.479 13.511 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.045 12.717 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.005 13.100 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.889 13.433 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.113 14.702 2.445 1.00 0.00 H new ATOM 1230 N GLU A 82 3.040 18.046 4.032 1.00 0.00 N ATOM 1231 CA GLU A 82 3.991 19.049 4.497 1.00 0.00 C ATOM 1232 C GLU A 82 5.399 18.466 4.583 1.00 0.00 C ATOM 1233 O GLU A 82 5.596 17.307 4.949 1.00 0.00 O ATOM 1234 CB GLU A 82 3.568 19.591 5.865 1.00 0.00 C ATOM 1235 CG GLU A 82 2.169 20.185 5.877 1.00 0.00 C ATOM 1236 CD GLU A 82 1.093 19.154 5.597 1.00 0.00 C ATOM 1237 OE1 GLU A 82 1.040 18.140 6.324 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.306 19.361 4.651 1.00 0.00 O ATOM 0 H GLU A 82 2.554 17.547 4.777 1.00 0.00 H new ATOM 0 HA GLU A 82 3.998 19.867 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.618 18.785 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.280 20.353 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.982 20.645 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.109 20.978 5.132 1.00 0.00 H new ATOM 1245 N PRO A 83 6.401 19.288 4.237 1.00 0.00 N ATOM 1246 CA PRO A 83 7.807 18.877 4.267 1.00 0.00 C ATOM 1247 C PRO A 83 8.325 18.682 5.688 1.00 0.00 C ATOM 1248 O PRO A 83 7.891 19.364 6.616 1.00 0.00 O ATOM 1249 CB PRO A 83 8.532 20.042 3.589 1.00 0.00 C ATOM 1250 CG PRO A 83 7.644 21.217 3.804 1.00 0.00 C ATOM 1251 CD PRO A 83 6.239 20.682 3.794 1.00 0.00 C ATOM 0 HA PRO A 83 7.961 17.917 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.517 20.204 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.684 19.850 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.868 21.707 4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.784 21.961 3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.590 21.244 4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.795 20.739 2.800 1.00 0.00 H new ATOM 1259 N ASN A 84 9.256 17.747 5.852 1.00 0.00 N ATOM 1260 CA ASN A 84 9.834 17.464 7.161 1.00 0.00 C ATOM 1261 C ASN A 84 8.759 17.002 8.141 1.00 0.00 C ATOM 1262 O ASN A 84 8.795 17.338 9.325 1.00 0.00 O ATOM 1263 CB ASN A 84 10.540 18.705 7.709 1.00 0.00 C ATOM 1264 CG ASN A 84 11.568 18.363 8.770 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.571 17.259 9.316 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.449 19.312 9.068 1.00 0.00 N ATOM 0 H ASN A 84 9.626 17.173 5.095 1.00 0.00 H new ATOM 0 HA ASN A 84 10.563 16.662 7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.029 19.233 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.799 19.385 8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.165 19.140 9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.410 20.213 8.591 1.00 0.00 H new ATOM 1273 N THR A 85 7.801 16.228 7.639 1.00 0.00 N ATOM 1274 CA THR A 85 6.715 15.721 8.468 1.00 0.00 C ATOM 1275 C THR A 85 6.534 14.219 8.277 1.00 0.00 C ATOM 1276 O THR A 85 6.842 13.674 7.216 1.00 0.00 O ATOM 1277 CB THR A 85 5.386 16.431 8.150 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.471 17.815 8.510 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.232 15.778 8.895 1.00 0.00 C ATOM 0 H THR A 85 7.756 15.939 6.662 1.00 0.00 H new ATOM 0 HA THR A 85 6.987 15.923 9.504 1.00 0.00 H new ATOM 0 HB THR A 85 5.201 16.345 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.568 18.183 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.304 16.297 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.151 14.733 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.413 15.836 9.968 1.00 0.00 H new ATOM 1287 N THR A 86 6.032 13.552 9.312 1.00 0.00 N ATOM 1288 CA THR A 86 5.811 12.113 9.259 1.00 0.00 C ATOM 1289 C THR A 86 4.338 11.791 9.030 1.00 0.00 C ATOM 1290 O THR A 86 3.456 12.500 9.516 1.00 0.00 O ATOM 1291 CB THR A 86 6.279 11.424 10.555 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.687 11.620 10.732 1.00 0.00 O ATOM 1293 CG2 THR A 86 5.969 9.935 10.518 1.00 0.00 C ATOM 0 H THR A 86 5.771 13.986 10.197 1.00 0.00 H new ATOM 0 HA THR A 86 6.398 11.734 8.422 1.00 0.00 H new ATOM 0 HB THR A 86 5.742 11.870 11.393 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.977 11.181 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.308 9.470 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.894 9.790 10.412 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.482 9.477 9.672 1.00 0.00 H new ATOM 1301 N TYR A 87 4.079 10.719 8.290 1.00 0.00 N ATOM 1302 CA TYR A 87 2.713 10.305 7.995 1.00 0.00 C ATOM 1303 C TYR A 87 2.595 8.784 7.983 1.00 0.00 C ATOM 1304 O TYR A 87 3.462 8.089 7.453 1.00 0.00 O ATOM 1305 CB TYR A 87 2.264 10.873 6.648 1.00 0.00 C ATOM 1306 CG TYR A 87 2.503 12.359 6.508 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.781 12.862 6.302 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.448 13.262 6.581 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.003 14.220 6.173 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.660 14.621 6.453 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.940 15.095 6.251 1.00 0.00 C ATOM 1312 OH TYR A 87 3.157 16.447 6.122 1.00 0.00 O ATOM 0 H TYR A 87 4.798 10.121 7.883 1.00 0.00 H new ATOM 0 HA TYR A 87 2.065 10.696 8.780 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.792 10.352 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.202 10.670 6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.616 12.180 6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.445 12.894 6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.003 14.594 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.829 15.308 6.511 1.00 0.00 H new ATOM 0 HH TYR A 87 2.373 16.937 6.448 1.00 0.00 H new ATOM 1322 N GLU A 88 1.516 8.275 8.570 1.00 0.00 N ATOM 1323 CA GLU A 88 1.285 6.837 8.628 1.00 0.00 C ATOM 1324 C GLU A 88 0.363 6.389 7.497 1.00 0.00 C ATOM 1325 O GLU A 88 -0.771 6.856 7.386 1.00 0.00 O ATOM 1326 CB GLU A 88 0.681 6.449 9.979 1.00 0.00 C ATOM 1327 CG GLU A 88 1.353 7.122 11.162 1.00 0.00 C ATOM 1328 CD GLU A 88 0.712 6.751 12.486 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.483 7.061 12.672 1.00 0.00 O ATOM 1330 OE2 GLU A 88 1.406 6.153 13.334 1.00 0.00 O ATOM 0 H GLU A 88 0.789 8.837 9.012 1.00 0.00 H new ATOM 0 HA GLU A 88 2.245 6.335 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.379 6.704 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.748 5.368 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.407 6.845 11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.310 8.203 11.032 1.00 0.00 H new ATOM 1337 N ILE A 89 0.858 5.482 6.661 1.00 0.00 N ATOM 1338 CA ILE A 89 0.079 4.971 5.540 1.00 0.00 C ATOM 1339 C ILE A 89 -0.105 3.460 5.642 1.00 0.00 C ATOM 1340 O ILE A 89 0.798 2.744 6.074 1.00 0.00 O ATOM 1341 CB ILE A 89 0.744 5.307 4.193 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.241 4.360 3.101 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.258 5.227 4.315 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.620 4.796 1.703 1.00 0.00 C ATOM 0 H ILE A 89 1.795 5.086 6.739 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.896 5.457 5.585 1.00 0.00 H new ATOM 0 HB ILE A 89 0.475 6.326 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.641 3.363 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.844 4.285 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.714 5.467 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.601 5.938 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.546 4.218 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.231 4.079 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.197 5.780 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.706 4.844 1.619 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.278 2.984 5.239 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.579 1.558 5.284 1.00 0.00 C ATOM 1358 C ARG A 90 -2.294 1.114 4.013 1.00 0.00 C ATOM 1359 O ARG A 90 -3.265 1.737 3.583 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.442 1.236 6.506 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.659 2.136 6.647 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.457 1.803 7.898 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.689 2.582 7.986 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.380 2.739 9.108 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -5.963 2.172 10.233 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.492 3.464 9.109 1.00 0.00 N ATOM 0 H ARG A 90 -2.035 3.564 4.878 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.637 1.015 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.773 0.199 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.831 1.322 7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.340 3.178 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.296 2.029 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.699 0.740 7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.845 1.993 8.780 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.038 3.030 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.109 1.614 10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.496 2.294 11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.816 3.901 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.022 3.584 9.972 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.806 0.032 3.412 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.398 -0.497 2.190 1.00 0.00 C ATOM 1382 C VAL A 91 -3.295 -1.693 2.486 1.00 0.00 C ATOM 1383 O VAL A 91 -2.954 -2.551 3.301 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.316 -0.919 1.178 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.951 -1.383 -0.122 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.345 0.225 0.930 1.00 0.00 C ATOM 0 H VAL A 91 -1.002 -0.495 3.753 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.997 0.304 1.757 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.757 -1.755 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.170 -1.677 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.602 -2.235 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.537 -0.570 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.413 -0.090 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.887 1.083 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.136 0.503 1.868 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.444 -1.745 1.819 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.389 -2.839 2.009 1.00 0.00 C ATOM 1398 C ALA A 92 -6.085 -3.195 0.699 1.00 0.00 C ATOM 1399 O ALA A 92 -6.174 -2.373 -0.211 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.414 -2.471 3.071 1.00 0.00 C ATOM 0 H ALA A 92 -4.743 -1.042 1.143 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.833 -3.714 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.114 -3.296 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.905 -2.272 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.959 -1.580 2.758 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.577 -4.427 0.613 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.267 -4.892 -0.584 1.00 0.00 C ATOM 1408 C ALA A 93 -8.777 -4.912 -0.375 1.00 0.00 C ATOM 1409 O ALA A 93 -9.274 -5.518 0.575 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.768 -6.275 -0.977 1.00 0.00 C ATOM 0 H ALA A 93 -6.510 -5.121 1.358 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.048 -4.195 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.292 -6.610 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.697 -6.232 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.957 -6.975 -0.163 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.502 -4.245 -1.266 1.00 0.00 N ATOM 1417 CA VAL A 94 -10.956 -4.186 -1.180 1.00 0.00 C ATOM 1418 C VAL A 94 -11.606 -4.889 -2.366 1.00 0.00 C ATOM 1419 O VAL A 94 -11.129 -4.792 -3.496 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.457 -2.731 -1.122 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -12.950 -2.668 -1.407 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.138 -2.112 0.231 1.00 0.00 C ATOM 0 H VAL A 94 -9.106 -3.737 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.239 -4.696 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.940 -2.156 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.286 -1.632 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.148 -3.070 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.488 -3.256 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.499 -1.084 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.626 -2.686 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.060 -2.122 0.391 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.700 -5.597 -2.101 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.416 -6.318 -3.147 1.00 0.00 C ATOM 1434 C ASN A 95 -14.921 -6.279 -2.900 1.00 0.00 C ATOM 1435 O ASN A 95 -15.386 -5.691 -1.924 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.936 -7.768 -3.217 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.421 -8.596 -2.042 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -14.037 -8.072 -1.113 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -13.144 -9.894 -2.079 1.00 0.00 N ATOM 0 H ASN A 95 -13.109 -5.686 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.209 -5.829 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.287 -8.219 -4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.847 -7.786 -3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.444 -10.502 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.631 -10.284 -2.870 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.678 -6.913 -3.791 1.00 0.00 N ATOM 1447 CA GLY A 96 -17.122 -6.940 -3.653 1.00 0.00 C ATOM 1448 C GLY A 96 -17.563 -7.265 -2.239 1.00 0.00 C ATOM 1449 O GLY A 96 -18.553 -6.721 -1.749 1.00 0.00 O ATOM 0 H GLY A 96 -15.316 -7.408 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.530 -5.972 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.536 -7.680 -4.338 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.828 -8.155 -1.582 1.00 0.00 N ATOM 1454 CA LYS A 97 -17.147 -8.553 -0.217 1.00 0.00 C ATOM 1455 C LYS A 97 -17.028 -7.370 0.737 1.00 0.00 C ATOM 1456 O LYS A 97 -18.006 -6.963 1.363 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.220 -9.683 0.238 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.137 -10.836 -0.748 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.451 -11.595 -0.829 1.00 0.00 C ATOM 1460 CE LYS A 97 -17.665 -12.470 0.396 1.00 0.00 C ATOM 1461 NZ LYS A 97 -18.314 -11.720 1.507 1.00 0.00 N ATOM 0 H LYS A 97 -16.006 -8.615 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.177 -8.908 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.220 -9.279 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.568 -10.062 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.875 -10.454 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.340 -11.517 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.276 -10.888 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.460 -12.214 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.283 -13.327 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.706 -12.862 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.644 -11.621 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.596 -10.777 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.156 -12.238 1.830 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.822 -6.818 0.842 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.598 -5.685 1.722 1.00 0.00 C ATOM 1477 C GLY A 98 -14.138 -5.283 1.788 1.00 0.00 C ATOM 1478 O GLY A 98 -13.363 -5.586 0.881 1.00 0.00 O ATOM 0 H GLY A 98 -14.997 -7.135 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.190 -4.838 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.950 -5.932 2.724 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.764 -4.596 2.862 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.387 -4.148 3.040 1.00 0.00 C ATOM 1484 C GLN A 99 -11.610 -5.120 3.922 1.00 0.00 C ATOM 1485 O GLN A 99 -11.835 -5.197 5.129 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.359 -2.749 3.656 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.965 -2.150 3.744 1.00 0.00 C ATOM 1488 CD GLN A 99 -10.973 -0.637 3.661 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -11.938 0.013 4.062 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -9.893 -0.067 3.138 1.00 0.00 N ATOM 0 H GLN A 99 -14.394 -4.337 3.622 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.912 -4.115 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.993 -2.088 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.790 -2.793 4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.501 -2.456 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.350 -2.551 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.116 -0.645 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.841 0.948 3.056 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.692 -5.863 3.309 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.895 -6.820 4.053 1.00 0.00 C ATOM 1501 C GLY A 100 -9.114 -6.173 5.179 1.00 0.00 C ATOM 1502 O GLY A 100 -9.478 -5.100 5.660 1.00 0.00 O ATOM 0 H GLY A 100 -10.487 -5.819 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.548 -7.590 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.203 -7.318 3.374 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.038 -6.827 5.604 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.204 -6.310 6.681 1.00 0.00 C ATOM 1508 C ASP A 101 -6.192 -5.301 6.148 1.00 0.00 C ATOM 1509 O ASP A 101 -5.880 -5.288 4.957 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.477 -7.455 7.387 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.359 -8.169 8.393 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -7.525 -7.645 9.514 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.884 -9.252 8.059 1.00 0.00 O ATOM 0 H ASP A 101 -7.723 -7.717 5.218 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.852 -5.805 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.125 -8.171 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.595 -7.063 7.895 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.682 -4.456 7.037 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.707 -3.440 6.656 1.00 0.00 C ATOM 1520 C TYR A 102 -3.284 -3.951 6.852 1.00 0.00 C ATOM 1521 O TYR A 102 -2.963 -4.550 7.879 1.00 0.00 O ATOM 1522 CB TYR A 102 -4.922 -2.165 7.473 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.148 -1.382 7.063 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -6.132 -0.563 5.941 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.325 -1.462 7.798 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -7.250 0.155 5.564 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.449 -0.749 7.427 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.406 0.059 6.311 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.523 0.771 5.937 1.00 0.00 O ATOM 0 H TYR A 102 -5.927 -4.454 8.027 1.00 0.00 H new ATOM 0 HA TYR A 102 -4.849 -3.214 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.006 -2.429 8.527 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.044 -1.527 7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.229 -0.486 5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.362 -2.092 8.674 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.220 0.788 4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.356 -0.824 8.008 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.252 0.592 6.567 1.00 0.00 H new ATOM 1539 N SER A 103 -2.433 -3.708 5.860 1.00 0.00 N ATOM 1540 CA SER A 103 -1.043 -4.146 5.920 1.00 0.00 C ATOM 1541 C SER A 103 -0.302 -3.444 7.055 1.00 0.00 C ATOM 1542 O SER A 103 -0.716 -2.383 7.520 1.00 0.00 O ATOM 1543 CB SER A 103 -0.341 -3.870 4.590 1.00 0.00 C ATOM 1544 OG SER A 103 -0.236 -2.477 4.348 1.00 0.00 O ATOM 0 H SER A 103 -2.682 -3.210 5.005 1.00 0.00 H new ATOM 0 HA SER A 103 -1.033 -5.219 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.653 -4.316 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.894 -4.343 3.778 1.00 0.00 H new ATOM 0 HG SER A 103 0.218 -2.327 3.492 1.00 0.00 H new ATOM 1550 N LYS A 104 0.797 -4.046 7.495 1.00 0.00 N ATOM 1551 CA LYS A 104 1.599 -3.481 8.575 1.00 0.00 C ATOM 1552 C LYS A 104 1.722 -1.968 8.427 1.00 0.00 C ATOM 1553 O LYS A 104 2.413 -1.478 7.533 1.00 0.00 O ATOM 1554 CB LYS A 104 2.991 -4.118 8.591 1.00 0.00 C ATOM 1555 CG LYS A 104 3.644 -4.118 9.963 1.00 0.00 C ATOM 1556 CD LYS A 104 4.928 -4.930 9.968 1.00 0.00 C ATOM 1557 CE LYS A 104 4.644 -6.422 10.051 1.00 0.00 C ATOM 1558 NZ LYS A 104 5.853 -7.195 10.448 1.00 0.00 N ATOM 0 H LYS A 104 1.153 -4.925 7.121 1.00 0.00 H new ATOM 0 HA LYS A 104 1.097 -3.696 9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.916 -5.145 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.634 -3.584 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.859 -3.093 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.950 -4.527 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.498 -4.717 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.547 -4.629 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.846 -6.600 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.286 -6.778 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.618 -8.207 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.606 -7.045 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.180 -6.873 11.381 1.00 0.00 H new ATOM 1572 N ILE A 105 1.050 -1.235 9.308 1.00 0.00 N ATOM 1573 CA ILE A 105 1.087 0.222 9.275 1.00 0.00 C ATOM 1574 C ILE A 105 2.470 0.727 8.882 1.00 0.00 C ATOM 1575 O ILE A 105 3.466 0.411 9.532 1.00 0.00 O ATOM 1576 CB ILE A 105 0.701 0.825 10.639 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.744 0.464 10.990 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.886 2.334 10.621 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.765 1.088 10.064 1.00 0.00 C ATOM 0 H ILE A 105 0.474 -1.626 10.053 1.00 0.00 H new ATOM 0 HA ILE A 105 0.361 0.540 8.527 1.00 0.00 H new ATOM 0 HB ILE A 105 1.356 0.407 11.404 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.856 -0.620 10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.951 0.781 12.012 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.609 2.746 11.591 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.929 2.570 10.410 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.252 2.769 9.848 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.767 0.789 10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.681 2.174 10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.584 0.751 9.043 1.00 0.00 H new ATOM 1591 N GLU A 106 2.524 1.516 7.813 1.00 0.00 N ATOM 1592 CA GLU A 106 3.787 2.067 7.334 1.00 0.00 C ATOM 1593 C GLU A 106 3.951 3.518 7.778 1.00 0.00 C ATOM 1594 O GLU A 106 2.971 4.250 7.915 1.00 0.00 O ATOM 1595 CB GLU A 106 3.860 1.978 5.808 1.00 0.00 C ATOM 1596 CG GLU A 106 3.957 0.555 5.285 1.00 0.00 C ATOM 1597 CD GLU A 106 5.369 0.007 5.343 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.157 0.301 4.421 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.686 -0.718 6.310 1.00 0.00 O ATOM 0 H GLU A 106 1.709 1.788 7.263 1.00 0.00 H new ATOM 0 HA GLU A 106 4.598 1.480 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.976 2.453 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.725 2.544 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.298 -0.088 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.602 0.526 4.255 1.00 0.00 H new ATOM 1606 N ILE A 107 5.196 3.925 8.001 1.00 0.00 N ATOM 1607 CA ILE A 107 5.489 5.287 8.429 1.00 0.00 C ATOM 1608 C ILE A 107 6.603 5.900 7.588 1.00 0.00 C ATOM 1609 O ILE A 107 7.748 5.448 7.630 1.00 0.00 O ATOM 1610 CB ILE A 107 5.895 5.334 9.914 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.863 4.602 10.773 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.048 6.776 10.374 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.383 4.204 12.136 1.00 0.00 C ATOM 0 H ILE A 107 6.018 3.331 7.892 1.00 0.00 H new ATOM 0 HA ILE A 107 4.575 5.865 8.292 1.00 0.00 H new ATOM 0 HB ILE A 107 6.855 4.831 10.029 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.989 5.241 10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.531 3.708 10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.335 6.794 11.425 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.818 7.268 9.779 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.101 7.301 10.248 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.597 3.690 12.689 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.239 3.539 12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.688 5.096 12.684 1.00 0.00 H new ATOM 1625 N PHE A 108 6.261 6.932 6.825 1.00 0.00 N ATOM 1626 CA PHE A 108 7.234 7.609 5.974 1.00 0.00 C ATOM 1627 C PHE A 108 7.280 9.102 6.282 1.00 0.00 C ATOM 1628 O PHE A 108 6.246 9.732 6.508 1.00 0.00 O ATOM 1629 CB PHE A 108 6.890 7.391 4.499 1.00 0.00 C ATOM 1630 CG PHE A 108 5.651 8.118 4.059 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.670 9.489 3.860 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.469 7.429 3.843 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.533 10.161 3.455 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.327 8.095 3.437 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.359 9.462 3.243 1.00 0.00 C ATOM 0 H PHE A 108 5.318 7.318 6.778 1.00 0.00 H new ATOM 0 HA PHE A 108 8.217 7.184 6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.730 7.717 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.759 6.324 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.585 10.039 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.439 6.360 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.561 11.230 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.411 7.547 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.468 9.984 2.926 1.00 0.00 H new ATOM 1645 N GLN A 109 8.486 9.662 6.290 1.00 0.00 N ATOM 1646 CA GLN A 109 8.666 11.081 6.572 1.00 0.00 C ATOM 1647 C GLN A 109 9.136 11.828 5.327 1.00 0.00 C ATOM 1648 O GLN A 109 10.195 11.529 4.773 1.00 0.00 O ATOM 1649 CB GLN A 109 9.674 11.272 7.706 1.00 0.00 C ATOM 1650 CG GLN A 109 9.967 12.731 8.021 1.00 0.00 C ATOM 1651 CD GLN A 109 11.225 12.909 8.847 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.791 11.940 9.354 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.671 14.152 8.987 1.00 0.00 N ATOM 0 H GLN A 109 9.352 9.155 6.105 1.00 0.00 H new ATOM 0 HA GLN A 109 7.703 11.491 6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.295 10.784 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.606 10.772 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.068 13.287 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.121 13.160 8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.171 14.926 8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.514 14.333 9.532 1.00 0.00 H new ATOM 1662 N THR A 110 8.341 12.800 4.892 1.00 0.00 N ATOM 1663 CA THR A 110 8.674 13.588 3.712 1.00 0.00 C ATOM 1664 C THR A 110 10.069 14.189 3.828 1.00 0.00 C ATOM 1665 O THR A 110 10.660 14.209 4.908 1.00 0.00 O ATOM 1666 CB THR A 110 7.655 14.722 3.489 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.650 15.604 4.617 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.259 14.161 3.271 1.00 0.00 C ATOM 0 H THR A 110 7.462 13.060 5.339 1.00 0.00 H new ATOM 0 HA THR A 110 8.644 12.909 2.859 1.00 0.00 H new ATOM 0 HB THR A 110 7.949 15.275 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.787 16.066 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.558 14.981 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.260 13.513 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.957 13.586 4.146 1.00 0.00 H new ATOM 1676 N LEU A 111 10.592 14.678 2.709 1.00 0.00 N ATOM 1677 CA LEU A 111 11.921 15.281 2.686 1.00 0.00 C ATOM 1678 C LEU A 111 11.856 16.756 3.067 1.00 0.00 C ATOM 1679 O LEU A 111 10.912 17.469 2.727 1.00 0.00 O ATOM 1680 CB LEU A 111 12.548 15.128 1.298 1.00 0.00 C ATOM 1681 CG LEU A 111 12.796 13.694 0.828 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.163 13.672 -0.647 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.888 13.041 1.662 1.00 0.00 C ATOM 0 H LEU A 111 10.117 14.669 1.806 1.00 0.00 H new ATOM 0 HA LEU A 111 12.541 14.763 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.900 15.620 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.499 15.661 1.290 1.00 0.00 H new ATOM 0 HG LEU A 111 11.876 13.124 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.336 12.643 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.348 14.099 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.069 14.257 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.051 12.021 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.812 13.611 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.584 13.023 2.709 1.00 0.00 H new ATOM 1695 N PRO A 112 12.884 17.227 3.787 1.00 0.00 N ATOM 1696 CA PRO A 112 12.969 18.622 4.229 1.00 0.00 C ATOM 1697 C PRO A 112 13.215 19.582 3.070 1.00 0.00 C ATOM 1698 O PRO A 112 14.238 19.501 2.389 1.00 0.00 O ATOM 1699 CB PRO A 112 14.165 18.621 5.184 1.00 0.00 C ATOM 1700 CG PRO A 112 15.002 17.472 4.741 1.00 0.00 C ATOM 1701 CD PRO A 112 14.044 16.433 4.228 1.00 0.00 C ATOM 0 HA PRO A 112 12.040 18.961 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.718 19.559 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.845 18.502 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.701 17.776 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.596 17.081 5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.474 15.860 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.771 15.720 5.005 1.00 0.00 H new ATOM 1709 N VAL A 113 12.271 20.492 2.851 1.00 0.00 N ATOM 1710 CA VAL A 113 12.387 21.470 1.774 1.00 0.00 C ATOM 1711 C VAL A 113 13.835 21.903 1.579 1.00 0.00 C ATOM 1712 O VAL A 113 14.441 22.501 2.467 1.00 0.00 O ATOM 1713 CB VAL A 113 11.523 22.715 2.052 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.659 23.722 0.920 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.068 22.319 2.254 1.00 0.00 C ATOM 0 H VAL A 113 11.418 20.573 3.404 1.00 0.00 H new ATOM 0 HA VAL A 113 12.031 20.985 0.865 1.00 0.00 H new ATOM 0 HB VAL A 113 11.878 23.186 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.042 24.595 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.701 24.028 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.332 23.266 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.472 23.211 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.698 21.824 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.991 21.638 3.102 1.00 0.00 H new ATOM 1725 N SER A 114 14.385 21.597 0.408 1.00 0.00 N ATOM 1726 CA SER A 114 15.765 21.951 0.095 1.00 0.00 C ATOM 1727 C SER A 114 15.831 23.294 -0.625 1.00 0.00 C ATOM 1728 O SER A 114 16.586 24.184 -0.235 1.00 0.00 O ATOM 1729 CB SER A 114 16.410 20.865 -0.768 1.00 0.00 C ATOM 1730 OG SER A 114 17.027 19.874 0.036 1.00 0.00 O ATOM 0 H SER A 114 13.896 21.105 -0.340 1.00 0.00 H new ATOM 0 HA SER A 114 16.314 22.033 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.654 20.404 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.151 21.314 -1.430 1.00 0.00 H new ATOM 0 HG SER A 114 17.430 19.191 -0.539 1.00 0.00 H new ATOM 1736 N GLY A 115 15.032 23.434 -1.679 1.00 0.00 N ATOM 1737 CA GLY A 115 15.014 24.670 -2.438 1.00 0.00 C ATOM 1738 C GLY A 115 14.036 24.627 -3.595 1.00 0.00 C ATOM 1739 O GLY A 115 13.397 23.607 -3.858 1.00 0.00 O ATOM 0 H GLY A 115 14.397 22.713 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 115 14.752 25.495 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.015 24.873 -2.820 1.00 0.00 H new ATOM 1743 N PRO A 116 13.905 25.755 -4.308 1.00 0.00 N ATOM 1744 CA PRO A 116 12.998 25.868 -5.453 1.00 0.00 C ATOM 1745 C PRO A 116 13.471 25.051 -6.650 1.00 0.00 C ATOM 1746 O PRO A 116 12.695 24.754 -7.558 1.00 0.00 O ATOM 1747 CB PRO A 116 13.025 27.363 -5.782 1.00 0.00 C ATOM 1748 CG PRO A 116 14.340 27.840 -5.268 1.00 0.00 C ATOM 1749 CD PRO A 116 14.634 27.009 -4.051 1.00 0.00 C ATOM 0 HA PRO A 116 12.003 25.486 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.933 27.534 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.199 27.889 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.120 27.720 -6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.300 28.900 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.703 26.835 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.287 27.495 -3.139 1.00 0.00 H new ATOM 1757 N SER A 117 14.750 24.689 -6.645 1.00 0.00 N ATOM 1758 CA SER A 117 15.328 23.908 -7.732 1.00 0.00 C ATOM 1759 C SER A 117 15.679 22.499 -7.263 1.00 0.00 C ATOM 1760 O SER A 117 16.706 22.286 -6.618 1.00 0.00 O ATOM 1761 CB SER A 117 16.577 24.602 -8.279 1.00 0.00 C ATOM 1762 OG SER A 117 17.595 24.669 -7.296 1.00 0.00 O ATOM 0 H SER A 117 15.406 24.924 -5.900 1.00 0.00 H new ATOM 0 HA SER A 117 14.586 23.833 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 117 16.945 24.062 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 117 16.322 25.608 -8.612 1.00 0.00 H new ATOM 0 HG SER A 117 17.576 23.856 -6.750 1.00 0.00 H new ATOM 1768 N SER A 118 14.819 21.541 -7.592 1.00 0.00 N ATOM 1769 CA SER A 118 15.035 20.152 -7.201 1.00 0.00 C ATOM 1770 C SER A 118 16.021 19.470 -8.144 1.00 0.00 C ATOM 1771 O SER A 118 17.056 18.962 -7.715 1.00 0.00 O ATOM 1772 CB SER A 118 13.708 19.390 -7.195 1.00 0.00 C ATOM 1773 OG SER A 118 13.925 17.992 -7.110 1.00 0.00 O ATOM 0 H SER A 118 13.966 21.700 -8.128 1.00 0.00 H new ATOM 0 HA SER A 118 15.455 20.144 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.100 19.719 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.148 19.620 -8.102 1.00 0.00 H new ATOM 0 HG SER A 118 13.063 17.527 -7.106 1.00 0.00 H new ATOM 1779 N GLY A 119 15.692 19.464 -9.432 1.00 0.00 N ATOM 1780 CA GLY A 119 16.559 18.842 -10.417 1.00 0.00 C ATOM 1781 C GLY A 119 16.123 19.133 -11.839 1.00 0.00 C ATOM 1782 O GLY A 119 16.841 19.792 -12.592 1.00 0.00 O ATOM 0 H GLY A 119 14.841 19.879 -9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 119 17.580 19.196 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 119 16.571 17.764 -10.257 1.00 0.00 H new TER 1786 GLY A 119