USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 843 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 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 MET CE :methyl -126:sc= -0.407 (180deg=-5.66!) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.92 K(o=-1,f=-3.6!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -107:sc= -0.0894 (180deg=-1.03) USER MOD Set 3.1: A 32 SER OG : rot 92:sc= 0.957 USER MOD Set 3.2: A 36 GLN : amide:sc=-0.00933 K(o=0.95,f=0.38) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0704 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.894 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0719 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.735 X(o=-0.74,f=-0.7) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 130:sc= -1.58 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-6.2!) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0143 (180deg=-0.168) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : A 64 GLN : amide:sc= -3.92! C(o=-3.9!,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.583 (180deg=-1.38) USER MOD Single : A 74 THR OG1 : rot -64:sc= 0.332 USER MOD Single : A 75 ASN : amide:sc= -0.0716 K(o=-0.072,f=-2.1!) USER MOD Single : A 78 SER OG : rot 67:sc= 0.432 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc=-0.00089 X(o=-0.00089,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc=-0.00179 K(o=-0.0018,f=-1) USER MOD Single : A 91 SER OG : rot 180:sc= -0.111 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= -4.53! C(o=-4.5!,f=-6.4!) USER MOD Single : A 101 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00875 USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= -0.0433 (180deg=-0.649) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 34:sc= 1.16 USER MOD Single : A 111 SER OG : rot 180:sc= -0.728 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.000 -40.539 -54.045 1.00 0.00 N ATOM 2 CA GLY A 1 -8.811 -39.818 -52.800 1.00 0.00 C ATOM 3 C GLY A 1 -7.899 -38.618 -52.958 1.00 0.00 C ATOM 4 O GLY A 1 -7.228 -38.470 -53.980 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.974 -40.402 -54.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.334 -40.180 -54.758 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.828 -41.553 -53.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.779 -39.488 -52.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.393 -40.493 -52.053 1.00 0.00 H new ATOM 8 N SER A 2 -7.875 -37.757 -51.945 1.00 0.00 N ATOM 9 CA SER A 2 -7.042 -36.560 -51.979 1.00 0.00 C ATOM 10 C SER A 2 -6.887 -35.967 -50.582 1.00 0.00 C ATOM 11 O SER A 2 -7.484 -36.451 -49.620 1.00 0.00 O ATOM 12 CB SER A 2 -7.646 -35.519 -52.923 1.00 0.00 C ATOM 13 OG SER A 2 -7.173 -35.696 -54.247 1.00 0.00 O ATOM 0 H SER A 2 -8.422 -37.866 -51.091 1.00 0.00 H new ATOM 0 HA SER A 2 -6.056 -36.844 -52.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.733 -35.597 -52.908 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.394 -34.518 -52.574 1.00 0.00 H new ATOM 0 HG SER A 2 -7.089 -36.653 -54.439 1.00 0.00 H new ATOM 19 N SER A 3 -6.080 -34.916 -50.478 1.00 0.00 N ATOM 20 CA SER A 3 -5.842 -34.258 -49.199 1.00 0.00 C ATOM 21 C SER A 3 -5.237 -32.873 -49.405 1.00 0.00 C ATOM 22 O SER A 3 -4.792 -32.534 -50.501 1.00 0.00 O ATOM 23 CB SER A 3 -4.915 -35.108 -48.329 1.00 0.00 C ATOM 24 OG SER A 3 -4.830 -34.587 -47.014 1.00 0.00 O ATOM 0 H SER A 3 -5.580 -34.502 -51.265 1.00 0.00 H new ATOM 0 HA SER A 3 -6.801 -34.145 -48.693 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.283 -36.133 -48.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.921 -35.141 -48.775 1.00 0.00 H new ATOM 0 HG SER A 3 -4.233 -35.149 -46.477 1.00 0.00 H new ATOM 30 N GLY A 4 -5.223 -32.075 -48.341 1.00 0.00 N ATOM 31 CA GLY A 4 -4.670 -30.736 -48.425 1.00 0.00 C ATOM 32 C GLY A 4 -5.293 -29.788 -47.419 1.00 0.00 C ATOM 33 O GLY A 4 -6.516 -29.679 -47.334 1.00 0.00 O ATOM 0 H GLY A 4 -5.585 -32.332 -47.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.593 -30.780 -48.260 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.823 -30.345 -49.431 1.00 0.00 H new ATOM 37 N SER A 5 -4.450 -29.101 -46.655 1.00 0.00 N ATOM 38 CA SER A 5 -4.925 -28.161 -45.646 1.00 0.00 C ATOM 39 C SER A 5 -3.790 -27.263 -45.163 1.00 0.00 C ATOM 40 O SER A 5 -2.683 -27.731 -44.900 1.00 0.00 O ATOM 41 CB SER A 5 -5.534 -28.915 -44.462 1.00 0.00 C ATOM 42 OG SER A 5 -6.044 -28.016 -43.493 1.00 0.00 O ATOM 0 H SER A 5 -3.435 -29.178 -46.715 1.00 0.00 H new ATOM 0 HA SER A 5 -5.692 -27.534 -46.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.333 -29.567 -44.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.778 -29.555 -44.007 1.00 0.00 H new ATOM 0 HG SER A 5 -6.429 -28.522 -42.748 1.00 0.00 H new ATOM 48 N SER A 6 -4.075 -25.970 -45.049 1.00 0.00 N ATOM 49 CA SER A 6 -3.078 -25.004 -44.601 1.00 0.00 C ATOM 50 C SER A 6 -3.655 -24.086 -43.528 1.00 0.00 C ATOM 51 O SER A 6 -4.814 -23.680 -43.600 1.00 0.00 O ATOM 52 CB SER A 6 -2.576 -24.173 -45.783 1.00 0.00 C ATOM 53 OG SER A 6 -1.322 -23.580 -45.493 1.00 0.00 O ATOM 0 H SER A 6 -4.988 -25.567 -45.261 1.00 0.00 H new ATOM 0 HA SER A 6 -2.241 -25.555 -44.172 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.487 -24.807 -46.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.303 -23.396 -46.020 1.00 0.00 H new ATOM 0 HG SER A 6 -1.022 -23.056 -46.265 1.00 0.00 H new ATOM 59 N GLY A 7 -2.836 -23.763 -42.531 1.00 0.00 N ATOM 60 CA GLY A 7 -3.282 -22.896 -41.456 1.00 0.00 C ATOM 61 C GLY A 7 -2.239 -21.865 -41.073 1.00 0.00 C ATOM 62 O GLY A 7 -1.057 -22.025 -41.379 1.00 0.00 O ATOM 0 H GLY A 7 -1.872 -24.086 -42.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.197 -22.387 -41.759 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.528 -23.501 -40.583 1.00 0.00 H new ATOM 66 N MET A 8 -2.676 -20.803 -40.404 1.00 0.00 N ATOM 67 CA MET A 8 -1.771 -19.742 -39.980 1.00 0.00 C ATOM 68 C MET A 8 -2.470 -18.781 -39.024 1.00 0.00 C ATOM 69 O MET A 8 -3.585 -18.329 -39.288 1.00 0.00 O ATOM 70 CB MET A 8 -1.243 -18.976 -41.195 1.00 0.00 C ATOM 71 CG MET A 8 0.131 -18.363 -40.977 1.00 0.00 C ATOM 72 SD MET A 8 1.466 -19.555 -41.199 1.00 0.00 S ATOM 73 CE MET A 8 2.490 -18.698 -42.392 1.00 0.00 C ATOM 0 H MET A 8 -3.651 -20.655 -40.144 1.00 0.00 H new ATOM 0 HA MET A 8 -0.933 -20.202 -39.457 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.199 -19.652 -42.049 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.948 -18.185 -41.450 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.269 -17.535 -41.672 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.184 -17.947 -39.971 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.360 -19.310 -42.631 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.915 -18.514 -43.299 1.00 0.00 H new ATOM 0 HE3 MET A 8 2.820 -17.748 -41.972 1.00 0.00 H new ATOM 83 N ASP A 9 -1.810 -18.473 -37.913 1.00 0.00 N ATOM 84 CA ASP A 9 -2.368 -17.565 -36.918 1.00 0.00 C ATOM 85 C ASP A 9 -1.345 -16.509 -36.511 1.00 0.00 C ATOM 86 O ASP A 9 -0.532 -16.731 -35.614 1.00 0.00 O ATOM 87 CB ASP A 9 -2.830 -18.346 -35.687 1.00 0.00 C ATOM 88 CG ASP A 9 -3.294 -17.437 -34.565 1.00 0.00 C ATOM 89 OD1 ASP A 9 -2.583 -16.455 -34.266 1.00 0.00 O ATOM 90 OD2 ASP A 9 -4.366 -17.709 -33.985 1.00 0.00 O ATOM 0 H ASP A 9 -0.887 -18.839 -37.679 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.226 -17.061 -37.363 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.643 -19.015 -35.969 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.012 -18.972 -35.329 1.00 0.00 H new ATOM 95 N ALA A 10 -1.391 -15.361 -37.178 1.00 0.00 N ATOM 96 CA ALA A 10 -0.469 -14.270 -36.885 1.00 0.00 C ATOM 97 C ALA A 10 -1.174 -13.139 -36.144 1.00 0.00 C ATOM 98 O ALA A 10 -1.456 -12.088 -36.720 1.00 0.00 O ATOM 99 CB ALA A 10 0.159 -13.751 -38.170 1.00 0.00 C ATOM 0 H ALA A 10 -2.057 -15.162 -37.925 1.00 0.00 H new ATOM 0 HA ALA A 10 0.319 -14.657 -36.238 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.845 -12.937 -37.937 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.706 -14.557 -38.659 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.623 -13.387 -38.836 1.00 0.00 H new ATOM 105 N ILE A 11 -1.456 -13.362 -34.865 1.00 0.00 N ATOM 106 CA ILE A 11 -2.128 -12.361 -34.046 1.00 0.00 C ATOM 107 C ILE A 11 -1.452 -12.220 -32.686 1.00 0.00 C ATOM 108 O ILE A 11 -0.980 -13.201 -32.110 1.00 0.00 O ATOM 109 CB ILE A 11 -3.613 -12.711 -33.835 1.00 0.00 C ATOM 110 CG1 ILE A 11 -4.341 -12.771 -35.179 1.00 0.00 C ATOM 111 CG2 ILE A 11 -4.271 -11.693 -32.916 1.00 0.00 C ATOM 112 CD1 ILE A 11 -5.772 -13.250 -35.070 1.00 0.00 C ATOM 0 H ILE A 11 -1.230 -14.227 -34.374 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.059 -11.415 -34.583 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.677 -13.692 -33.364 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.332 -11.780 -35.633 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.795 -13.434 -35.850 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.320 -11.954 -32.776 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.765 -11.694 -31.950 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.200 -10.701 -33.362 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.226 -13.267 -36.061 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.788 -14.254 -34.646 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.334 -12.574 -34.425 1.00 0.00 H new ATOM 124 N LEU A 12 -1.412 -10.994 -32.176 1.00 0.00 N ATOM 125 CA LEU A 12 -0.796 -10.724 -30.882 1.00 0.00 C ATOM 126 C LEU A 12 -1.846 -10.315 -29.853 1.00 0.00 C ATOM 127 O LEU A 12 -2.994 -10.040 -30.200 1.00 0.00 O ATOM 128 CB LEU A 12 0.258 -9.623 -31.016 1.00 0.00 C ATOM 129 CG LEU A 12 1.283 -9.808 -32.135 1.00 0.00 C ATOM 130 CD1 LEU A 12 0.779 -9.189 -33.429 1.00 0.00 C ATOM 131 CD2 LEU A 12 2.622 -9.203 -31.737 1.00 0.00 C ATOM 0 H LEU A 12 -1.799 -10.171 -32.639 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.315 -11.640 -30.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.255 -8.674 -31.173 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.793 -9.543 -30.070 1.00 0.00 H new ATOM 0 HG LEU A 12 1.424 -10.876 -32.299 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.522 -9.331 -34.214 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.155 -9.669 -33.722 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.608 -8.123 -33.280 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.340 -9.344 -32.545 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.497 -8.137 -31.544 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.990 -9.694 -30.836 1.00 0.00 H new ATOM 143 N ASN A 13 -1.443 -10.277 -28.587 1.00 0.00 N ATOM 144 CA ASN A 13 -2.349 -9.900 -27.508 1.00 0.00 C ATOM 145 C ASN A 13 -1.606 -9.140 -26.414 1.00 0.00 C ATOM 146 O ASN A 13 -0.736 -9.694 -25.741 1.00 0.00 O ATOM 147 CB ASN A 13 -3.017 -11.144 -26.918 1.00 0.00 C ATOM 148 CG ASN A 13 -3.372 -12.168 -27.978 1.00 0.00 C ATOM 149 OD1 ASN A 13 -2.642 -13.137 -28.191 1.00 0.00 O ATOM 150 ND2 ASN A 13 -4.498 -11.958 -28.650 1.00 0.00 N ATOM 0 H ASN A 13 -0.496 -10.502 -28.283 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.116 -9.246 -27.922 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.349 -11.599 -26.187 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.921 -10.849 -26.385 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.789 -12.613 -29.376 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.072 -11.142 -28.440 1.00 0.00 H new ATOM 157 N TYR A 14 -1.955 -7.870 -26.242 1.00 0.00 N ATOM 158 CA TYR A 14 -1.320 -7.033 -25.231 1.00 0.00 C ATOM 159 C TYR A 14 -2.289 -5.976 -24.712 1.00 0.00 C ATOM 160 O TYR A 14 -2.901 -5.243 -25.490 1.00 0.00 O ATOM 161 CB TYR A 14 -0.073 -6.360 -25.806 1.00 0.00 C ATOM 162 CG TYR A 14 -0.381 -5.216 -26.746 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.743 -3.967 -26.256 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.312 -5.385 -28.123 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.026 -2.919 -27.111 1.00 0.00 C ATOM 166 CE2 TYR A 14 -0.592 -4.342 -28.985 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.949 -3.112 -28.474 1.00 0.00 C ATOM 168 OH TYR A 14 -1.230 -2.071 -29.330 1.00 0.00 O ATOM 0 H TYR A 14 -2.674 -7.398 -26.790 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.028 -7.672 -24.398 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.541 -5.989 -24.985 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.520 -7.105 -26.336 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.804 -3.813 -25.189 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.035 -6.348 -28.527 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.306 -1.954 -26.714 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.532 -4.489 -30.053 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.128 -2.373 -30.257 1.00 0.00 H new ATOM 178 N ARG A 15 -2.423 -5.903 -23.392 1.00 0.00 N ATOM 179 CA ARG A 15 -3.318 -4.936 -22.767 1.00 0.00 C ATOM 180 C ARG A 15 -2.572 -4.088 -21.741 1.00 0.00 C ATOM 181 O ARG A 15 -1.816 -4.610 -20.922 1.00 0.00 O ATOM 182 CB ARG A 15 -4.491 -5.653 -22.096 1.00 0.00 C ATOM 183 CG ARG A 15 -5.669 -5.896 -23.025 1.00 0.00 C ATOM 184 CD ARG A 15 -6.677 -4.760 -22.955 1.00 0.00 C ATOM 185 NE ARG A 15 -6.041 -3.482 -22.643 1.00 0.00 N ATOM 186 CZ ARG A 15 -6.706 -2.338 -22.530 1.00 0.00 C ATOM 187 NH1 ARG A 15 -8.021 -2.312 -22.701 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.057 -1.217 -22.244 1.00 0.00 N ATOM 0 H ARG A 15 -1.923 -6.502 -22.734 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.702 -4.278 -23.547 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.145 -6.610 -21.704 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.827 -5.062 -21.244 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.310 -6.003 -24.049 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.157 -6.834 -22.758 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.201 -4.681 -23.908 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.426 -4.987 -22.197 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.031 -3.468 -22.504 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.524 -3.172 -22.920 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.529 -1.432 -22.614 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.046 -1.233 -22.111 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.569 -0.339 -22.158 1.00 0.00 H new ATOM 202 N SER A 16 -2.789 -2.778 -21.793 1.00 0.00 N ATOM 203 CA SER A 16 -2.134 -1.857 -20.871 1.00 0.00 C ATOM 204 C SER A 16 -3.047 -0.681 -20.538 1.00 0.00 C ATOM 205 O SER A 16 -3.786 -0.194 -21.392 1.00 0.00 O ATOM 206 CB SER A 16 -0.824 -1.345 -21.473 1.00 0.00 C ATOM 207 OG SER A 16 0.055 -2.417 -21.768 1.00 0.00 O ATOM 0 H SER A 16 -3.413 -2.330 -22.464 1.00 0.00 H new ATOM 0 HA SER A 16 -1.916 -2.398 -19.950 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.034 -0.782 -22.382 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.344 -0.658 -20.776 1.00 0.00 H new ATOM 0 HG SER A 16 0.884 -2.064 -22.153 1.00 0.00 H new ATOM 213 N GLU A 17 -2.989 -0.231 -19.288 1.00 0.00 N ATOM 214 CA GLU A 17 -3.811 0.887 -18.841 1.00 0.00 C ATOM 215 C GLU A 17 -3.076 1.718 -17.793 1.00 0.00 C ATOM 216 O GLU A 17 -2.341 1.182 -16.964 1.00 0.00 O ATOM 217 CB GLU A 17 -5.135 0.378 -18.266 1.00 0.00 C ATOM 218 CG GLU A 17 -4.963 -0.622 -17.135 1.00 0.00 C ATOM 219 CD GLU A 17 -6.280 -1.222 -16.681 1.00 0.00 C ATOM 220 OE1 GLU A 17 -7.061 -0.505 -16.022 1.00 0.00 O ATOM 221 OE2 GLU A 17 -6.528 -2.407 -16.985 1.00 0.00 O ATOM 0 H GLU A 17 -2.382 -0.623 -18.568 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.017 1.520 -19.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.714 1.227 -17.904 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.714 -0.086 -19.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.297 -1.421 -17.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.482 -0.130 -16.290 1.00 0.00 H new ATOM 228 N ASP A 18 -3.279 3.030 -17.839 1.00 0.00 N ATOM 229 CA ASP A 18 -2.636 3.936 -16.894 1.00 0.00 C ATOM 230 C ASP A 18 -3.663 4.554 -15.950 1.00 0.00 C ATOM 231 O ASP A 18 -4.543 5.303 -16.375 1.00 0.00 O ATOM 232 CB ASP A 18 -1.885 5.039 -17.642 1.00 0.00 C ATOM 233 CG ASP A 18 -0.454 4.652 -17.959 1.00 0.00 C ATOM 234 OD1 ASP A 18 -0.188 3.442 -18.118 1.00 0.00 O ATOM 235 OD2 ASP A 18 0.400 5.559 -18.047 1.00 0.00 O ATOM 0 H ASP A 18 -3.883 3.490 -18.520 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.925 3.360 -16.302 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.410 5.268 -18.569 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.888 5.948 -17.041 1.00 0.00 H new ATOM 240 N THR A 19 -3.544 4.235 -14.664 1.00 0.00 N ATOM 241 CA THR A 19 -4.463 4.757 -13.660 1.00 0.00 C ATOM 242 C THR A 19 -4.005 4.389 -12.253 1.00 0.00 C ATOM 243 O THR A 19 -3.479 3.299 -12.027 1.00 0.00 O ATOM 244 CB THR A 19 -5.893 4.227 -13.877 1.00 0.00 C ATOM 245 OG1 THR A 19 -6.785 4.821 -12.927 1.00 0.00 O ATOM 246 CG2 THR A 19 -5.935 2.713 -13.743 1.00 0.00 C ATOM 0 H THR A 19 -2.821 3.618 -14.294 1.00 0.00 H new ATOM 0 HA THR A 19 -4.466 5.842 -13.767 1.00 0.00 H new ATOM 0 HB THR A 19 -6.207 4.495 -14.886 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.692 4.480 -13.073 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.955 2.362 -13.900 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.278 2.263 -14.487 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.603 2.427 -12.745 1.00 0.00 H new ATOM 254 N GLU A 20 -4.210 5.303 -11.310 1.00 0.00 N ATOM 255 CA GLU A 20 -3.818 5.073 -9.925 1.00 0.00 C ATOM 256 C GLU A 20 -5.011 4.615 -9.091 1.00 0.00 C ATOM 257 O GLU A 20 -5.760 5.434 -8.558 1.00 0.00 O ATOM 258 CB GLU A 20 -3.219 6.346 -9.323 1.00 0.00 C ATOM 259 CG GLU A 20 -2.058 6.911 -10.124 1.00 0.00 C ATOM 260 CD GLU A 20 -1.487 8.175 -9.512 1.00 0.00 C ATOM 261 OE1 GLU A 20 -1.181 8.163 -8.301 1.00 0.00 O ATOM 262 OE2 GLU A 20 -1.346 9.177 -10.245 1.00 0.00 O ATOM 0 H GLU A 20 -4.645 6.210 -11.480 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.065 4.285 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.999 7.103 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.880 6.134 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.272 6.160 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.391 7.122 -11.140 1.00 0.00 H new ATOM 269 N ASP A 21 -5.179 3.302 -8.982 1.00 0.00 N ATOM 270 CA ASP A 21 -6.280 2.733 -8.213 1.00 0.00 C ATOM 271 C ASP A 21 -5.764 1.728 -7.188 1.00 0.00 C ATOM 272 O ASP A 21 -4.798 1.009 -7.442 1.00 0.00 O ATOM 273 CB ASP A 21 -7.288 2.059 -9.145 1.00 0.00 C ATOM 274 CG ASP A 21 -8.318 3.032 -9.684 1.00 0.00 C ATOM 275 OD1 ASP A 21 -7.995 4.232 -9.806 1.00 0.00 O ATOM 276 OD2 ASP A 21 -9.448 2.593 -9.985 1.00 0.00 O ATOM 0 H ASP A 21 -4.567 2.611 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.777 3.545 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.757 1.598 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.795 1.258 -8.608 1.00 0.00 H new ATOM 281 N TYR A 22 -6.415 1.683 -6.031 1.00 0.00 N ATOM 282 CA TYR A 22 -6.020 0.768 -4.967 1.00 0.00 C ATOM 283 C TYR A 22 -6.082 -0.680 -5.443 1.00 0.00 C ATOM 284 O TYR A 22 -5.336 -1.535 -4.964 1.00 0.00 O ATOM 285 CB TYR A 22 -6.922 0.954 -3.746 1.00 0.00 C ATOM 286 CG TYR A 22 -6.535 2.132 -2.881 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.272 3.375 -3.442 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.433 2.002 -1.501 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.917 4.454 -2.656 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.081 3.076 -0.706 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.823 4.299 -1.288 1.00 0.00 C ATOM 292 OH TYR A 22 -5.472 5.372 -0.501 1.00 0.00 O ATOM 0 H TYR A 22 -7.219 2.270 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.991 0.996 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.951 1.083 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.894 0.047 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.346 3.500 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.632 1.045 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.714 5.413 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.008 2.958 0.365 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.452 5.096 0.439 1.00 0.00 H new ATOM 302 N TYR A 23 -6.975 -0.947 -6.389 1.00 0.00 N ATOM 303 CA TYR A 23 -7.136 -2.292 -6.930 1.00 0.00 C ATOM 304 C TYR A 23 -5.967 -2.657 -7.840 1.00 0.00 C ATOM 305 O TYR A 23 -5.651 -3.833 -8.024 1.00 0.00 O ATOM 306 CB TYR A 23 -8.451 -2.398 -7.704 1.00 0.00 C ATOM 307 CG TYR A 23 -9.657 -2.626 -6.820 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.967 -3.896 -6.349 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.486 -1.572 -6.457 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.068 -4.108 -5.542 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.588 -1.775 -5.649 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.875 -3.045 -5.194 1.00 0.00 C ATOM 313 OH TYR A 23 -12.973 -3.252 -4.391 1.00 0.00 O ATOM 0 H TYR A 23 -7.598 -0.251 -6.797 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.155 -2.992 -6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.600 -1.484 -8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.376 -3.216 -8.421 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.337 -4.731 -6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.265 -0.576 -6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.296 -5.102 -5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.221 -0.944 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.433 -2.400 -4.240 1.00 0.00 H new ATOM 323 N THR A 24 -5.326 -1.639 -8.407 1.00 0.00 N ATOM 324 CA THR A 24 -4.193 -1.850 -9.298 1.00 0.00 C ATOM 325 C THR A 24 -2.913 -2.103 -8.509 1.00 0.00 C ATOM 326 O THR A 24 -2.129 -2.991 -8.846 1.00 0.00 O ATOM 327 CB THR A 24 -3.978 -0.643 -10.230 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.064 -0.541 -11.158 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.666 -0.773 -10.990 1.00 0.00 C ATOM 0 H THR A 24 -5.573 -0.660 -8.264 1.00 0.00 H new ATOM 0 HA THR A 24 -4.425 -2.728 -9.901 1.00 0.00 H new ATOM 0 HB THR A 24 -3.938 0.258 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.921 0.230 -11.746 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.536 0.091 -11.642 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.839 -0.821 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.682 -1.682 -11.591 1.00 0.00 H new ATOM 337 N LEU A 25 -2.707 -1.317 -7.457 1.00 0.00 N ATOM 338 CA LEU A 25 -1.522 -1.456 -6.619 1.00 0.00 C ATOM 339 C LEU A 25 -1.252 -2.922 -6.296 1.00 0.00 C ATOM 340 O LEU A 25 -0.104 -3.369 -6.302 1.00 0.00 O ATOM 341 CB LEU A 25 -1.693 -0.661 -5.324 1.00 0.00 C ATOM 342 CG LEU A 25 -2.212 0.769 -5.478 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.213 1.485 -4.136 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.374 1.534 -6.492 1.00 0.00 C ATOM 0 H LEU A 25 -3.346 -0.577 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.669 -1.061 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.377 -1.206 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.730 -0.624 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.238 0.725 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.586 2.501 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.856 0.949 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.198 1.519 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.758 2.550 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.338 1.568 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.426 1.033 -7.459 1.00 0.00 H new ATOM 356 N LEU A 26 -2.316 -3.667 -6.018 1.00 0.00 N ATOM 357 CA LEU A 26 -2.195 -5.085 -5.695 1.00 0.00 C ATOM 358 C LEU A 26 -2.641 -5.950 -6.869 1.00 0.00 C ATOM 359 O LEU A 26 -2.605 -7.178 -6.797 1.00 0.00 O ATOM 360 CB LEU A 26 -3.026 -5.418 -4.455 1.00 0.00 C ATOM 361 CG LEU A 26 -2.724 -4.594 -3.203 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.562 -5.079 -2.030 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.242 -4.660 -2.865 1.00 0.00 C ATOM 0 H LEU A 26 -3.273 -3.313 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.146 -5.298 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.080 -5.291 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.880 -6.471 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.984 -3.555 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.334 -4.481 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.620 -4.979 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.334 -6.126 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.046 -4.068 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.956 -5.696 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.661 -4.264 -3.698 1.00 0.00 H new ATOM 375 N GLY A 27 -3.060 -5.301 -7.951 1.00 0.00 N ATOM 376 CA GLY A 27 -3.506 -6.028 -9.126 1.00 0.00 C ATOM 377 C GLY A 27 -4.652 -6.972 -8.823 1.00 0.00 C ATOM 378 O GLY A 27 -4.700 -8.088 -9.342 1.00 0.00 O ATOM 0 H GLY A 27 -3.099 -4.285 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.817 -5.318 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.671 -6.595 -9.537 1.00 0.00 H new ATOM 382 N CYS A 28 -5.578 -6.525 -7.981 1.00 0.00 N ATOM 383 CA CYS A 28 -6.729 -7.340 -7.609 1.00 0.00 C ATOM 384 C CYS A 28 -8.032 -6.651 -8.001 1.00 0.00 C ATOM 385 O CYS A 28 -8.022 -5.557 -8.567 1.00 0.00 O ATOM 386 CB CYS A 28 -6.718 -7.618 -6.105 1.00 0.00 C ATOM 387 SG CYS A 28 -7.495 -6.324 -5.109 1.00 0.00 S ATOM 0 H CYS A 28 -5.554 -5.604 -7.544 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.663 -8.286 -8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.229 -8.562 -5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.686 -7.743 -5.777 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.352 -6.861 -4.292 1.00 0.00 H new ATOM 393 N ASP A 29 -9.152 -7.298 -7.698 1.00 0.00 N ATOM 394 CA ASP A 29 -10.464 -6.749 -8.020 1.00 0.00 C ATOM 395 C ASP A 29 -11.475 -7.082 -6.928 1.00 0.00 C ATOM 396 O ASP A 29 -11.137 -7.715 -5.928 1.00 0.00 O ATOM 397 CB ASP A 29 -10.951 -7.289 -9.365 1.00 0.00 C ATOM 398 CG ASP A 29 -10.451 -8.693 -9.640 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.021 -9.369 -8.682 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.490 -9.117 -10.814 1.00 0.00 O ATOM 0 H ASP A 29 -9.178 -8.204 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.371 -5.665 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.041 -7.285 -9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.617 -6.625 -10.162 1.00 0.00 H new ATOM 405 N GLU A 30 -12.717 -6.651 -7.126 1.00 0.00 N ATOM 406 CA GLU A 30 -13.776 -6.903 -6.157 1.00 0.00 C ATOM 407 C GLU A 30 -14.106 -8.391 -6.085 1.00 0.00 C ATOM 408 O GLU A 30 -14.679 -8.866 -5.103 1.00 0.00 O ATOM 409 CB GLU A 30 -15.032 -6.108 -6.522 1.00 0.00 C ATOM 410 CG GLU A 30 -15.617 -6.482 -7.874 1.00 0.00 C ATOM 411 CD GLU A 30 -15.037 -5.659 -9.008 1.00 0.00 C ATOM 412 OE1 GLU A 30 -15.050 -4.414 -8.904 1.00 0.00 O ATOM 413 OE2 GLU A 30 -14.570 -6.258 -9.999 1.00 0.00 O ATOM 0 H GLU A 30 -13.014 -6.126 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.421 -6.580 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.788 -6.265 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.792 -5.045 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.432 -7.539 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.698 -6.347 -7.848 1.00 0.00 H new ATOM 420 N LEU A 31 -13.741 -9.123 -7.132 1.00 0.00 N ATOM 421 CA LEU A 31 -13.998 -10.557 -7.190 1.00 0.00 C ATOM 422 C LEU A 31 -12.963 -11.329 -6.378 1.00 0.00 C ATOM 423 O LEU A 31 -13.243 -12.413 -5.867 1.00 0.00 O ATOM 424 CB LEU A 31 -13.987 -11.039 -8.642 1.00 0.00 C ATOM 425 CG LEU A 31 -14.879 -10.265 -9.613 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.319 -10.336 -11.025 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.302 -10.802 -9.574 1.00 0.00 C ATOM 0 H LEU A 31 -13.266 -8.746 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.982 -10.742 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.962 -10.997 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.289 -12.086 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.898 -9.220 -9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.967 -9.779 -11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.319 -9.903 -11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.269 -11.377 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.923 -10.239 -10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.302 -11.855 -9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.703 -10.697 -8.566 1.00 0.00 H new ATOM 439 N SER A 32 -11.766 -10.762 -6.263 1.00 0.00 N ATOM 440 CA SER A 32 -10.688 -11.397 -5.515 1.00 0.00 C ATOM 441 C SER A 32 -10.925 -11.276 -4.012 1.00 0.00 C ATOM 442 O SER A 32 -11.421 -10.257 -3.532 1.00 0.00 O ATOM 443 CB SER A 32 -9.343 -10.768 -5.883 1.00 0.00 C ATOM 444 OG SER A 32 -8.837 -11.317 -7.088 1.00 0.00 O ATOM 0 H SER A 32 -11.519 -9.864 -6.679 1.00 0.00 H new ATOM 0 HA SER A 32 -10.670 -12.454 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.460 -9.690 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.628 -10.932 -5.076 1.00 0.00 H new ATOM 0 HG SER A 32 -9.137 -10.773 -7.846 1.00 0.00 H new ATOM 450 N SER A 33 -10.565 -12.322 -3.276 1.00 0.00 N ATOM 451 CA SER A 33 -10.741 -12.336 -1.829 1.00 0.00 C ATOM 452 C SER A 33 -9.433 -11.997 -1.120 1.00 0.00 C ATOM 453 O SER A 33 -8.347 -12.237 -1.648 1.00 0.00 O ATOM 454 CB SER A 33 -11.245 -13.704 -1.368 1.00 0.00 C ATOM 455 OG SER A 33 -12.511 -13.999 -1.933 1.00 0.00 O ATOM 0 H SER A 33 -10.149 -13.171 -3.658 1.00 0.00 H new ATOM 0 HA SER A 33 -11.481 -11.579 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.528 -14.474 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.316 -13.721 -0.280 1.00 0.00 H new ATOM 0 HG SER A 33 -12.810 -14.880 -1.624 1.00 0.00 H new ATOM 461 N VAL A 34 -9.546 -11.439 0.081 1.00 0.00 N ATOM 462 CA VAL A 34 -8.374 -11.068 0.865 1.00 0.00 C ATOM 463 C VAL A 34 -7.250 -12.083 0.687 1.00 0.00 C ATOM 464 O VAL A 34 -6.080 -11.715 0.581 1.00 0.00 O ATOM 465 CB VAL A 34 -8.713 -10.953 2.363 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.668 -12.062 2.781 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.444 -10.987 3.201 1.00 0.00 C ATOM 0 H VAL A 34 -10.437 -11.234 0.532 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.044 -10.096 0.499 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.207 -9.997 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.896 -11.965 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.589 -11.986 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.203 -13.031 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.703 -10.905 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.919 -11.927 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.800 -10.154 2.919 1.00 0.00 H new ATOM 477 N GLU A 35 -7.614 -13.361 0.653 1.00 0.00 N ATOM 478 CA GLU A 35 -6.635 -14.429 0.488 1.00 0.00 C ATOM 479 C GLU A 35 -5.793 -14.206 -0.765 1.00 0.00 C ATOM 480 O GLU A 35 -4.564 -14.257 -0.716 1.00 0.00 O ATOM 481 CB GLU A 35 -7.337 -15.787 0.409 1.00 0.00 C ATOM 482 CG GLU A 35 -7.828 -16.297 1.753 1.00 0.00 C ATOM 483 CD GLU A 35 -8.545 -17.628 1.645 1.00 0.00 C ATOM 484 OE1 GLU A 35 -9.437 -17.753 0.779 1.00 0.00 O ATOM 485 OE2 GLU A 35 -8.216 -18.546 2.425 1.00 0.00 O ATOM 0 H GLU A 35 -8.579 -13.682 0.737 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.975 -14.419 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.184 -15.709 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.650 -16.517 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.980 -16.399 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.501 -15.561 2.193 1.00 0.00 H new ATOM 492 N GLN A 36 -6.464 -13.959 -1.886 1.00 0.00 N ATOM 493 CA GLN A 36 -5.778 -13.729 -3.152 1.00 0.00 C ATOM 494 C GLN A 36 -5.031 -12.400 -3.133 1.00 0.00 C ATOM 495 O GLN A 36 -3.917 -12.295 -3.647 1.00 0.00 O ATOM 496 CB GLN A 36 -6.777 -13.750 -4.309 1.00 0.00 C ATOM 497 CG GLN A 36 -7.541 -15.059 -4.430 1.00 0.00 C ATOM 498 CD GLN A 36 -8.058 -15.305 -5.834 1.00 0.00 C ATOM 499 OE1 GLN A 36 -8.185 -14.376 -6.633 1.00 0.00 O ATOM 500 NE2 GLN A 36 -8.360 -16.560 -6.143 1.00 0.00 N ATOM 0 H GLN A 36 -7.481 -13.913 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.053 -14.530 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.488 -12.935 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.244 -13.562 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.891 -15.883 -4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.380 -15.051 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.239 -17.299 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.713 -16.786 -7.073 1.00 0.00 H new ATOM 509 N ILE A 37 -5.651 -11.387 -2.538 1.00 0.00 N ATOM 510 CA ILE A 37 -5.045 -10.064 -2.452 1.00 0.00 C ATOM 511 C ILE A 37 -3.713 -10.117 -1.710 1.00 0.00 C ATOM 512 O ILE A 37 -2.679 -9.708 -2.238 1.00 0.00 O ATOM 513 CB ILE A 37 -5.975 -9.063 -1.742 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.325 -8.992 -2.458 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.327 -7.688 -1.684 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.381 -8.236 -1.683 1.00 0.00 C ATOM 0 H ILE A 37 -6.573 -11.457 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.876 -9.728 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.144 -9.407 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.188 -8.516 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.680 -10.005 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.996 -6.991 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.388 -7.751 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.132 -7.335 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.311 -8.226 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.547 -8.724 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.047 -7.212 -1.516 1.00 0.00 H new ATOM 528 N LEU A 38 -3.746 -10.626 -0.483 1.00 0.00 N ATOM 529 CA LEU A 38 -2.541 -10.736 0.332 1.00 0.00 C ATOM 530 C LEU A 38 -1.368 -11.251 -0.496 1.00 0.00 C ATOM 531 O LEU A 38 -0.383 -10.542 -0.704 1.00 0.00 O ATOM 532 CB LEU A 38 -2.788 -11.666 1.520 1.00 0.00 C ATOM 533 CG LEU A 38 -3.320 -11.004 2.792 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.036 -12.022 3.665 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.186 -10.341 3.562 1.00 0.00 C ATOM 0 H LEU A 38 -4.594 -10.969 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.291 -9.742 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.495 -12.436 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.853 -12.171 1.761 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.037 -10.235 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.407 -11.532 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.873 -12.450 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.342 -12.815 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.582 -9.875 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.445 -11.092 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.717 -9.581 2.937 1.00 0.00 H new ATOM 547 N ALA A 39 -1.482 -12.488 -0.968 1.00 0.00 N ATOM 548 CA ALA A 39 -0.433 -13.096 -1.778 1.00 0.00 C ATOM 549 C ALA A 39 0.105 -12.111 -2.810 1.00 0.00 C ATOM 550 O ALA A 39 1.316 -11.950 -2.954 1.00 0.00 O ATOM 551 CB ALA A 39 -0.956 -14.349 -2.464 1.00 0.00 C ATOM 0 H ALA A 39 -2.290 -13.089 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 39 0.388 -13.373 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.163 -14.793 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.285 -15.066 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.796 -14.088 -3.108 1.00 0.00 H new ATOM 557 N GLU A 40 -0.803 -11.456 -3.526 1.00 0.00 N ATOM 558 CA GLU A 40 -0.418 -10.487 -4.546 1.00 0.00 C ATOM 559 C GLU A 40 0.386 -9.343 -3.934 1.00 0.00 C ATOM 560 O GLU A 40 1.285 -8.792 -4.569 1.00 0.00 O ATOM 561 CB GLU A 40 -1.658 -9.934 -5.250 1.00 0.00 C ATOM 562 CG GLU A 40 -2.466 -10.993 -5.982 1.00 0.00 C ATOM 563 CD GLU A 40 -3.878 -10.537 -6.295 1.00 0.00 C ATOM 564 OE1 GLU A 40 -4.070 -9.874 -7.336 1.00 0.00 O ATOM 565 OE2 GLU A 40 -4.790 -10.843 -5.500 1.00 0.00 O ATOM 0 H GLU A 40 -1.810 -11.578 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 40 0.208 -10.998 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.297 -9.447 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.350 -9.168 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.958 -11.254 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.506 -11.898 -5.375 1.00 0.00 H new ATOM 572 N PHE A 41 0.055 -8.992 -2.696 1.00 0.00 N ATOM 573 CA PHE A 41 0.743 -7.912 -1.998 1.00 0.00 C ATOM 574 C PHE A 41 2.143 -8.346 -1.572 1.00 0.00 C ATOM 575 O PHE A 41 3.072 -7.539 -1.535 1.00 0.00 O ATOM 576 CB PHE A 41 -0.061 -7.473 -0.773 1.00 0.00 C ATOM 577 CG PHE A 41 0.777 -6.838 0.300 1.00 0.00 C ATOM 578 CD1 PHE A 41 1.245 -5.542 0.155 1.00 0.00 C ATOM 579 CD2 PHE A 41 1.098 -7.538 1.452 1.00 0.00 C ATOM 580 CE1 PHE A 41 2.016 -4.954 1.140 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.869 -6.955 2.440 1.00 0.00 C ATOM 582 CZ PHE A 41 2.330 -5.662 2.283 1.00 0.00 C ATOM 0 H PHE A 41 -0.685 -9.439 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 41 0.834 -7.070 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.830 -6.767 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.575 -8.339 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.005 -4.985 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.742 -8.550 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.372 -3.942 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.111 -7.510 3.334 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.935 -5.206 3.053 1.00 0.00 H new ATOM 592 N LYS A 42 2.286 -9.627 -1.250 1.00 0.00 N ATOM 593 CA LYS A 42 3.571 -10.172 -0.827 1.00 0.00 C ATOM 594 C LYS A 42 4.544 -10.244 -1.999 1.00 0.00 C ATOM 595 O LYS A 42 5.721 -9.909 -1.865 1.00 0.00 O ATOM 596 CB LYS A 42 3.384 -11.563 -0.219 1.00 0.00 C ATOM 597 CG LYS A 42 2.706 -11.547 1.140 1.00 0.00 C ATOM 598 CD LYS A 42 2.071 -12.890 1.463 1.00 0.00 C ATOM 599 CE LYS A 42 1.189 -12.806 2.700 1.00 0.00 C ATOM 600 NZ LYS A 42 0.537 -14.110 3.005 1.00 0.00 N ATOM 0 H LYS A 42 1.527 -10.308 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 42 3.988 -9.506 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.794 -12.173 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.358 -12.043 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.436 -11.295 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.943 -10.769 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.477 -13.227 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.852 -13.634 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.789 -12.492 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.424 -12.044 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.055 -14.012 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.056 -14.398 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.266 -14.832 3.173 1.00 0.00 H new ATOM 614 N VAL A 43 4.044 -10.683 -3.151 1.00 0.00 N ATOM 615 CA VAL A 43 4.868 -10.797 -4.348 1.00 0.00 C ATOM 616 C VAL A 43 5.206 -9.423 -4.916 1.00 0.00 C ATOM 617 O VAL A 43 6.359 -9.141 -5.242 1.00 0.00 O ATOM 618 CB VAL A 43 4.166 -11.631 -5.435 1.00 0.00 C ATOM 619 CG1 VAL A 43 3.940 -13.056 -4.953 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.851 -10.981 -5.839 1.00 0.00 C ATOM 0 H VAL A 43 3.072 -10.965 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 43 5.788 -11.301 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 43 4.811 -11.668 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.443 -13.630 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.899 -13.517 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.316 -13.043 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.368 -11.584 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.197 -10.911 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.044 -9.982 -6.229 1.00 0.00 H new ATOM 630 N ARG A 44 4.192 -8.571 -5.030 1.00 0.00 N ATOM 631 CA ARG A 44 4.381 -7.226 -5.559 1.00 0.00 C ATOM 632 C ARG A 44 5.285 -6.404 -4.645 1.00 0.00 C ATOM 633 O ARG A 44 6.087 -5.596 -5.113 1.00 0.00 O ATOM 634 CB ARG A 44 3.031 -6.525 -5.723 1.00 0.00 C ATOM 635 CG ARG A 44 2.281 -6.934 -6.980 1.00 0.00 C ATOM 636 CD ARG A 44 0.789 -6.674 -6.848 1.00 0.00 C ATOM 637 NE ARG A 44 0.071 -6.964 -8.086 1.00 0.00 N ATOM 638 CZ ARG A 44 -0.213 -8.194 -8.500 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.158 -9.242 -7.778 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.870 -8.378 -9.638 1.00 0.00 N ATOM 0 H ARG A 44 3.232 -8.789 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 44 4.860 -7.311 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.411 -6.742 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.191 -5.447 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.673 -6.383 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.451 -7.992 -7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.384 -7.287 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.626 -5.633 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.229 -6.179 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.663 -9.105 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.061 -10.185 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.158 -7.574 -10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.087 -9.323 -9.954 1.00 0.00 H new ATOM 654 N ALA A 45 5.149 -6.616 -3.341 1.00 0.00 N ATOM 655 CA ALA A 45 5.954 -5.897 -2.361 1.00 0.00 C ATOM 656 C ALA A 45 7.392 -6.406 -2.352 1.00 0.00 C ATOM 657 O ALA A 45 8.337 -5.624 -2.246 1.00 0.00 O ATOM 658 CB ALA A 45 5.338 -6.024 -0.976 1.00 0.00 C ATOM 0 H ALA A 45 4.488 -7.280 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 45 5.971 -4.844 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.950 -5.482 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.332 -5.605 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.290 -7.076 -0.694 1.00 0.00 H new ATOM 664 N LEU A 46 7.549 -7.720 -2.463 1.00 0.00 N ATOM 665 CA LEU A 46 8.873 -8.334 -2.467 1.00 0.00 C ATOM 666 C LEU A 46 9.658 -7.929 -3.710 1.00 0.00 C ATOM 667 O LEU A 46 10.829 -7.561 -3.623 1.00 0.00 O ATOM 668 CB LEU A 46 8.750 -9.857 -2.401 1.00 0.00 C ATOM 669 CG LEU A 46 8.509 -10.452 -1.013 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.140 -11.924 -1.120 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.739 -10.272 -0.135 1.00 0.00 C ATOM 0 H LEU A 46 6.777 -8.381 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 46 9.413 -7.981 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.932 -10.164 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.662 -10.293 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 46 7.676 -9.922 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.972 -12.330 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.231 -12.029 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.952 -12.469 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.550 -10.701 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.590 -10.776 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.960 -9.210 -0.031 1.00 0.00 H new ATOM 683 N GLU A 47 9.003 -7.996 -4.865 1.00 0.00 N ATOM 684 CA GLU A 47 9.640 -7.635 -6.126 1.00 0.00 C ATOM 685 C GLU A 47 10.144 -6.195 -6.088 1.00 0.00 C ATOM 686 O GLU A 47 11.178 -5.872 -6.673 1.00 0.00 O ATOM 687 CB GLU A 47 8.661 -7.814 -7.288 1.00 0.00 C ATOM 688 CG GLU A 47 8.433 -9.266 -7.674 1.00 0.00 C ATOM 689 CD GLU A 47 9.510 -9.799 -8.598 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.693 -9.455 -8.393 1.00 0.00 O ATOM 691 OE2 GLU A 47 9.170 -10.561 -9.527 1.00 0.00 O ATOM 0 H GLU A 47 8.032 -8.297 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 47 10.493 -8.297 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.705 -7.364 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.037 -7.271 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.398 -9.877 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.462 -9.361 -8.161 1.00 0.00 H new ATOM 698 N CYS A 48 9.405 -5.334 -5.396 1.00 0.00 N ATOM 699 CA CYS A 48 9.774 -3.928 -5.282 1.00 0.00 C ATOM 700 C CYS A 48 10.001 -3.542 -3.824 1.00 0.00 C ATOM 701 O CYS A 48 9.532 -2.499 -3.367 1.00 0.00 O ATOM 702 CB CYS A 48 8.688 -3.042 -5.894 1.00 0.00 C ATOM 703 SG CYS A 48 8.699 -3.004 -7.702 1.00 0.00 S ATOM 0 H CYS A 48 8.547 -5.586 -4.906 1.00 0.00 H new ATOM 0 HA CYS A 48 10.705 -3.777 -5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.714 -3.393 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.809 -2.026 -5.519 1.00 0.00 H new ATOM 0 HG CYS A 48 7.744 -2.231 -8.126 1.00 0.00 H new ATOM 709 N HIS A 49 10.722 -4.390 -3.098 1.00 0.00 N ATOM 710 CA HIS A 49 11.009 -4.138 -1.690 1.00 0.00 C ATOM 711 C HIS A 49 12.316 -3.366 -1.533 1.00 0.00 C ATOM 712 O HIS A 49 13.300 -3.616 -2.229 1.00 0.00 O ATOM 713 CB HIS A 49 11.086 -5.456 -0.919 1.00 0.00 C ATOM 714 CG HIS A 49 10.764 -5.318 0.537 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.728 -5.157 1.509 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.575 -5.316 1.184 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.147 -5.064 2.692 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.841 -5.157 2.522 1.00 0.00 N ATOM 0 H HIS A 49 11.118 -5.257 -3.461 1.00 0.00 H new ATOM 0 HA HIS A 49 10.199 -3.534 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.397 -6.171 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.089 -5.870 -1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.599 -5.420 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.654 -4.934 3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.143 -5.117 3.264 1.00 0.00 H new ATOM 726 N PRO A 50 12.328 -2.406 -0.596 1.00 0.00 N ATOM 727 CA PRO A 50 13.507 -1.578 -0.326 1.00 0.00 C ATOM 728 C PRO A 50 14.632 -2.370 0.332 1.00 0.00 C ATOM 729 O PRO A 50 15.801 -2.216 -0.021 1.00 0.00 O ATOM 730 CB PRO A 50 12.977 -0.507 0.630 1.00 0.00 C ATOM 731 CG PRO A 50 11.803 -1.140 1.295 1.00 0.00 C ATOM 732 CD PRO A 50 11.191 -2.054 0.271 1.00 0.00 C ATOM 0 HA PRO A 50 13.940 -1.175 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.735 -0.216 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.688 0.396 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.109 -1.696 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.087 -0.386 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.750 -2.937 0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.398 -1.557 -0.288 1.00 0.00 H new ATOM 740 N ASP A 51 14.271 -3.217 1.290 1.00 0.00 N ATOM 741 CA ASP A 51 15.251 -4.035 1.996 1.00 0.00 C ATOM 742 C ASP A 51 16.116 -4.817 1.013 1.00 0.00 C ATOM 743 O ASP A 51 17.342 -4.833 1.125 1.00 0.00 O ATOM 744 CB ASP A 51 14.547 -4.998 2.954 1.00 0.00 C ATOM 745 CG ASP A 51 15.506 -5.639 3.938 1.00 0.00 C ATOM 746 OD1 ASP A 51 16.404 -4.930 4.439 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.357 -6.849 4.208 1.00 0.00 O ATOM 0 H ASP A 51 13.308 -3.355 1.595 1.00 0.00 H new ATOM 0 HA ASP A 51 15.897 -3.370 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.774 -4.460 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.046 -5.777 2.379 1.00 0.00 H new ATOM 752 N LYS A 52 15.470 -5.466 0.051 1.00 0.00 N ATOM 753 CA LYS A 52 16.179 -6.251 -0.953 1.00 0.00 C ATOM 754 C LYS A 52 17.012 -5.350 -1.859 1.00 0.00 C ATOM 755 O LYS A 52 18.113 -5.716 -2.273 1.00 0.00 O ATOM 756 CB LYS A 52 15.187 -7.059 -1.792 1.00 0.00 C ATOM 757 CG LYS A 52 14.303 -7.980 -0.969 1.00 0.00 C ATOM 758 CD LYS A 52 15.077 -9.180 -0.450 1.00 0.00 C ATOM 759 CE LYS A 52 15.085 -10.317 -1.460 1.00 0.00 C ATOM 760 NZ LYS A 52 13.755 -10.977 -1.563 1.00 0.00 N ATOM 0 H LYS A 52 14.456 -5.464 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 52 16.850 -6.936 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.556 -6.372 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.739 -7.654 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.882 -7.427 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.466 -8.322 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.102 -8.884 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.633 -9.525 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.376 -9.932 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.835 -11.054 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.862 -11.903 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.358 -11.109 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.114 -10.381 -2.126 1.00 0.00 H new ATOM 774 N HIS A 53 16.481 -4.170 -2.163 1.00 0.00 N ATOM 775 CA HIS A 53 17.178 -3.216 -3.018 1.00 0.00 C ATOM 776 C HIS A 53 17.423 -1.903 -2.281 1.00 0.00 C ATOM 777 O HIS A 53 16.679 -0.933 -2.425 1.00 0.00 O ATOM 778 CB HIS A 53 16.370 -2.956 -4.291 1.00 0.00 C ATOM 779 CG HIS A 53 15.984 -4.205 -5.021 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.810 -4.831 -5.931 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.853 -4.947 -4.969 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.202 -5.902 -6.409 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.014 -5.996 -5.841 1.00 0.00 N ATOM 0 H HIS A 53 15.571 -3.852 -1.830 1.00 0.00 H new ATOM 0 HA HIS A 53 18.143 -3.646 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.467 -2.403 -4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.953 -2.321 -4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.986 -4.751 -4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.608 -6.585 -7.141 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.327 -6.729 -6.021 1.00 0.00 H new ATOM 791 N PRO A 54 18.492 -1.870 -1.471 1.00 0.00 N ATOM 792 CA PRO A 54 18.860 -0.682 -0.694 1.00 0.00 C ATOM 793 C PRO A 54 19.371 0.452 -1.577 1.00 0.00 C ATOM 794 O PRO A 54 19.650 0.253 -2.758 1.00 0.00 O ATOM 795 CB PRO A 54 19.975 -1.189 0.223 1.00 0.00 C ATOM 796 CG PRO A 54 20.560 -2.353 -0.500 1.00 0.00 C ATOM 797 CD PRO A 54 19.423 -2.989 -1.251 1.00 0.00 C ATOM 0 HA PRO A 54 18.007 -0.264 -0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.723 -0.417 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.584 -1.484 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.347 -2.033 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.010 -3.059 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.757 -3.425 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.959 -3.790 -0.676 1.00 0.00 H new ATOM 805 N GLU A 55 19.491 1.641 -0.994 1.00 0.00 N ATOM 806 CA GLU A 55 19.969 2.806 -1.730 1.00 0.00 C ATOM 807 C GLU A 55 18.994 3.186 -2.840 1.00 0.00 C ATOM 808 O GLU A 55 19.399 3.660 -3.901 1.00 0.00 O ATOM 809 CB GLU A 55 21.352 2.531 -2.322 1.00 0.00 C ATOM 810 CG GLU A 55 22.134 3.791 -2.655 1.00 0.00 C ATOM 811 CD GLU A 55 23.198 3.556 -3.709 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.901 2.527 -3.623 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.329 4.400 -4.620 1.00 0.00 O ATOM 0 H GLU A 55 19.264 1.823 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 55 20.041 3.640 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.928 1.932 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.238 1.934 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.445 4.560 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.604 4.173 -1.749 1.00 0.00 H new ATOM 820 N ASN A 56 17.707 2.973 -2.588 1.00 0.00 N ATOM 821 CA ASN A 56 16.673 3.291 -3.566 1.00 0.00 C ATOM 822 C ASN A 56 15.351 3.612 -2.876 1.00 0.00 C ATOM 823 O ASN A 56 14.647 2.729 -2.386 1.00 0.00 O ATOM 824 CB ASN A 56 16.484 2.124 -4.538 1.00 0.00 C ATOM 825 CG ASN A 56 15.309 2.335 -5.473 1.00 0.00 C ATOM 826 OD1 ASN A 56 15.181 3.387 -6.099 1.00 0.00 O ATOM 827 ND2 ASN A 56 14.444 1.332 -5.571 1.00 0.00 N ATOM 0 H ASN A 56 17.355 2.581 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 56 16.994 4.171 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.393 1.993 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.334 1.204 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.633 1.416 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.590 0.478 -5.033 1.00 0.00 H new ATOM 834 N PRO A 57 15.003 4.907 -2.836 1.00 0.00 N ATOM 835 CA PRO A 57 13.764 5.375 -2.210 1.00 0.00 C ATOM 836 C PRO A 57 12.525 4.966 -2.999 1.00 0.00 C ATOM 837 O PRO A 57 11.466 4.711 -2.425 1.00 0.00 O ATOM 838 CB PRO A 57 13.919 6.898 -2.210 1.00 0.00 C ATOM 839 CG PRO A 57 14.851 7.184 -3.336 1.00 0.00 C ATOM 840 CD PRO A 57 15.794 6.014 -3.400 1.00 0.00 C ATOM 0 HA PRO A 57 13.623 4.947 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.959 7.394 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.322 7.255 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.307 7.298 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.394 8.114 -3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.106 5.805 -4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.700 6.196 -2.822 1.00 0.00 H new ATOM 848 N LYS A 58 12.664 4.905 -4.319 1.00 0.00 N ATOM 849 CA LYS A 58 11.557 4.525 -5.189 1.00 0.00 C ATOM 850 C LYS A 58 10.862 3.271 -4.669 1.00 0.00 C ATOM 851 O LYS A 58 9.637 3.164 -4.715 1.00 0.00 O ATOM 852 CB LYS A 58 12.060 4.288 -6.615 1.00 0.00 C ATOM 853 CG LYS A 58 12.430 5.565 -7.349 1.00 0.00 C ATOM 854 CD LYS A 58 12.364 5.380 -8.856 1.00 0.00 C ATOM 855 CE LYS A 58 13.542 4.566 -9.370 1.00 0.00 C ATOM 856 NZ LYS A 58 13.289 3.102 -9.269 1.00 0.00 N ATOM 0 H LYS A 58 13.533 5.114 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 58 10.836 5.342 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.931 3.633 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.290 3.764 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.755 6.367 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.436 5.872 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.432 4.881 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.354 6.355 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.740 4.830 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.436 4.821 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.861 2.703 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.281 2.937 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.549 2.642 -10.165 1.00 0.00 H new ATOM 870 N ALA A 59 11.652 2.324 -4.173 1.00 0.00 N ATOM 871 CA ALA A 59 11.112 1.079 -3.641 1.00 0.00 C ATOM 872 C ALA A 59 10.278 1.333 -2.390 1.00 0.00 C ATOM 873 O ALA A 59 9.196 0.769 -2.228 1.00 0.00 O ATOM 874 CB ALA A 59 12.239 0.103 -3.337 1.00 0.00 C ATOM 0 H ALA A 59 12.669 2.396 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 59 10.461 0.641 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.822 -0.823 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.792 -0.111 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.912 0.542 -2.601 1.00 0.00 H new ATOM 880 N VAL A 60 10.787 2.187 -1.507 1.00 0.00 N ATOM 881 CA VAL A 60 10.089 2.516 -0.271 1.00 0.00 C ATOM 882 C VAL A 60 8.646 2.925 -0.547 1.00 0.00 C ATOM 883 O VAL A 60 7.711 2.357 0.017 1.00 0.00 O ATOM 884 CB VAL A 60 10.797 3.653 0.489 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.998 4.053 1.720 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.210 3.238 0.872 1.00 0.00 C ATOM 0 H VAL A 60 11.681 2.663 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 60 10.098 1.617 0.346 1.00 0.00 H new ATOM 0 HB VAL A 60 10.862 4.520 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.515 4.858 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.008 4.394 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.898 3.194 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.696 4.053 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.170 2.356 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.778 3.007 -0.029 1.00 0.00 H new ATOM 896 N GLU A 61 8.474 3.914 -1.418 1.00 0.00 N ATOM 897 CA GLU A 61 7.144 4.399 -1.769 1.00 0.00 C ATOM 898 C GLU A 61 6.225 3.242 -2.149 1.00 0.00 C ATOM 899 O GLU A 61 5.239 2.965 -1.466 1.00 0.00 O ATOM 900 CB GLU A 61 7.230 5.398 -2.925 1.00 0.00 C ATOM 901 CG GLU A 61 5.941 6.166 -3.162 1.00 0.00 C ATOM 902 CD GLU A 61 6.071 7.198 -4.265 1.00 0.00 C ATOM 903 OE1 GLU A 61 6.483 8.338 -3.966 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.762 6.865 -5.428 1.00 0.00 O ATOM 0 H GLU A 61 9.238 4.395 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 61 6.726 4.900 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.033 6.106 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.498 4.864 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.147 5.465 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.643 6.662 -2.238 1.00 0.00 H new ATOM 911 N THR A 62 6.556 2.567 -3.247 1.00 0.00 N ATOM 912 CA THR A 62 5.761 1.441 -3.720 1.00 0.00 C ATOM 913 C THR A 62 5.375 0.518 -2.570 1.00 0.00 C ATOM 914 O THR A 62 4.294 -0.072 -2.571 1.00 0.00 O ATOM 915 CB THR A 62 6.520 0.626 -4.784 1.00 0.00 C ATOM 916 OG1 THR A 62 7.074 1.504 -5.771 1.00 0.00 O ATOM 917 CG2 THR A 62 5.597 -0.380 -5.455 1.00 0.00 C ATOM 0 H THR A 62 7.369 2.781 -3.824 1.00 0.00 H new ATOM 0 HA THR A 62 4.858 1.857 -4.167 1.00 0.00 H new ATOM 0 HB THR A 62 7.325 0.083 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.556 0.978 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.155 -0.944 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.199 -1.065 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.774 0.147 -5.938 1.00 0.00 H new ATOM 925 N PHE A 63 6.263 0.399 -1.589 1.00 0.00 N ATOM 926 CA PHE A 63 6.015 -0.453 -0.432 1.00 0.00 C ATOM 927 C PHE A 63 4.975 0.175 0.492 1.00 0.00 C ATOM 928 O PHE A 63 4.193 -0.529 1.131 1.00 0.00 O ATOM 929 CB PHE A 63 7.315 -0.697 0.337 1.00 0.00 C ATOM 930 CG PHE A 63 7.194 -1.752 1.399 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.862 -3.055 1.065 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.413 -1.441 2.731 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.750 -4.029 2.039 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.303 -2.411 3.710 1.00 0.00 C ATOM 935 CZ PHE A 63 6.970 -3.706 3.364 1.00 0.00 C ATOM 0 H PHE A 63 7.161 0.882 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 63 5.629 -1.407 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.095 -0.989 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.635 0.237 0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.689 -3.313 0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.672 -0.430 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.491 -5.041 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.477 -2.156 4.745 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.882 -4.465 4.128 1.00 0.00 H new ATOM 945 N GLN A 64 4.973 1.502 0.556 1.00 0.00 N ATOM 946 CA GLN A 64 4.030 2.225 1.402 1.00 0.00 C ATOM 947 C GLN A 64 2.636 2.228 0.784 1.00 0.00 C ATOM 948 O GLN A 64 1.631 2.162 1.492 1.00 0.00 O ATOM 949 CB GLN A 64 4.507 3.661 1.622 1.00 0.00 C ATOM 950 CG GLN A 64 5.841 3.756 2.345 1.00 0.00 C ATOM 951 CD GLN A 64 6.569 5.054 2.058 1.00 0.00 C ATOM 952 OE1 GLN A 64 6.178 5.817 1.173 1.00 0.00 O ATOM 953 NE2 GLN A 64 7.635 5.314 2.806 1.00 0.00 N ATOM 0 H GLN A 64 5.613 2.099 0.032 1.00 0.00 H new ATOM 0 HA GLN A 64 3.979 1.716 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.591 4.159 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.754 4.201 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.675 3.667 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.471 2.917 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.924 4.655 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.164 6.173 2.658 1.00 0.00 H new ATOM 962 N LYS A 65 2.581 2.304 -0.541 1.00 0.00 N ATOM 963 CA LYS A 65 1.311 2.315 -1.256 1.00 0.00 C ATOM 964 C LYS A 65 0.776 0.898 -1.436 1.00 0.00 C ATOM 965 O LYS A 65 -0.421 0.697 -1.647 1.00 0.00 O ATOM 966 CB LYS A 65 1.476 2.987 -2.621 1.00 0.00 C ATOM 967 CG LYS A 65 2.835 2.749 -3.256 1.00 0.00 C ATOM 968 CD LYS A 65 2.802 2.998 -4.754 1.00 0.00 C ATOM 969 CE LYS A 65 2.359 1.759 -5.516 1.00 0.00 C ATOM 970 NZ LYS A 65 2.285 2.005 -6.983 1.00 0.00 N ATOM 0 H LYS A 65 3.403 2.359 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 65 0.594 2.883 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.701 2.620 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.319 4.060 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.573 3.404 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.153 1.724 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.123 3.822 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.792 3.302 -5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.055 0.944 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.383 1.439 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.979 1.136 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.602 2.765 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.222 2.286 -7.336 1.00 0.00 H new ATOM 984 N LEU A 66 1.669 -0.082 -1.352 1.00 0.00 N ATOM 985 CA LEU A 66 1.286 -1.481 -1.504 1.00 0.00 C ATOM 986 C LEU A 66 0.647 -2.013 -0.225 1.00 0.00 C ATOM 987 O LEU A 66 -0.450 -2.570 -0.255 1.00 0.00 O ATOM 988 CB LEU A 66 2.507 -2.328 -1.867 1.00 0.00 C ATOM 989 CG LEU A 66 2.806 -2.470 -3.360 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.193 -3.055 -3.574 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.751 -3.334 -4.035 1.00 0.00 C ATOM 0 H LEU A 66 2.663 0.067 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 66 0.554 -1.546 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.382 -1.895 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.370 -3.325 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 66 2.779 -1.478 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.388 -3.148 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.938 -2.398 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.249 -4.039 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.980 -3.424 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.746 -4.324 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.771 -2.873 -3.913 1.00 0.00 H new ATOM 1003 N GLN A 67 1.339 -1.835 0.895 1.00 0.00 N ATOM 1004 CA GLN A 67 0.837 -2.296 2.184 1.00 0.00 C ATOM 1005 C GLN A 67 -0.423 -1.534 2.582 1.00 0.00 C ATOM 1006 O GLN A 67 -1.159 -1.953 3.475 1.00 0.00 O ATOM 1007 CB GLN A 67 1.910 -2.129 3.262 1.00 0.00 C ATOM 1008 CG GLN A 67 2.099 -0.690 3.714 1.00 0.00 C ATOM 1009 CD GLN A 67 2.743 -0.588 5.083 1.00 0.00 C ATOM 1010 OE1 GLN A 67 3.882 -0.137 5.214 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.016 -1.007 6.112 1.00 0.00 N ATOM 0 H GLN A 67 2.249 -1.375 0.936 1.00 0.00 H new ATOM 0 HA GLN A 67 0.586 -3.353 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.645 -2.740 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.858 -2.509 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.716 -0.163 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.131 -0.189 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.077 -1.373 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.397 -0.962 7.057 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.666 -0.412 1.913 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.837 0.409 2.194 1.00 0.00 C ATOM 1022 C LYS A 68 -3.092 -0.204 1.582 1.00 0.00 C ATOM 1023 O LYS A 68 -3.990 -0.648 2.296 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.634 1.827 1.654 1.00 0.00 C ATOM 1025 CG LYS A 68 -0.971 2.766 2.646 1.00 0.00 C ATOM 1026 CD LYS A 68 -1.934 3.188 3.744 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.758 4.397 3.329 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.337 5.104 4.504 1.00 0.00 N ATOM 0 H LYS A 68 -0.066 -0.050 1.171 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.966 0.454 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.027 1.779 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.601 2.239 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.105 2.275 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.604 3.649 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.599 2.359 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.375 3.421 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.131 5.086 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.561 4.078 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.891 5.922 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.955 4.454 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.570 5.431 5.125 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.146 -0.227 0.254 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.289 -0.790 -0.454 1.00 0.00 C ATOM 1044 C ALA A 69 -4.730 -2.108 0.173 1.00 0.00 C ATOM 1045 O ALA A 69 -5.923 -2.356 0.350 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.953 -0.990 -1.925 1.00 0.00 C ATOM 0 H ALA A 69 -2.412 0.138 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.117 -0.085 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.816 -1.411 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.695 -0.030 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.108 -1.672 -2.016 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.759 -2.951 0.509 1.00 0.00 N ATOM 1053 CA LYS A 70 -4.046 -4.245 1.118 1.00 0.00 C ATOM 1054 C LYS A 70 -4.913 -4.080 2.362 1.00 0.00 C ATOM 1055 O LYS A 70 -6.025 -4.604 2.428 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.743 -4.960 1.483 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.946 -6.184 2.359 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.650 -6.611 3.028 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.910 -7.277 4.371 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.720 -8.030 4.856 1.00 0.00 N ATOM 0 H LYS A 70 -2.766 -2.761 0.370 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.593 -4.847 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.234 -5.260 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.086 -4.259 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.696 -5.968 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.333 -7.005 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.113 -7.300 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.009 -5.741 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.184 -6.519 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.758 -7.956 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.025 -8.773 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.231 -8.465 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.072 -7.379 5.343 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.398 -3.348 3.345 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.127 -3.114 4.586 1.00 0.00 C ATOM 1076 C GLU A 71 -6.547 -2.634 4.300 1.00 0.00 C ATOM 1077 O GLU A 71 -7.518 -3.199 4.805 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.393 -2.086 5.449 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.829 -2.092 6.905 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.952 -1.217 7.780 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -2.716 -1.399 7.750 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -4.500 -0.352 8.493 1.00 0.00 O ATOM 0 H GLU A 71 -3.479 -2.907 3.306 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.183 -4.058 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.322 -2.280 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.557 -1.092 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.861 -1.749 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.808 -3.114 7.283 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.659 -1.587 3.490 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.959 -1.031 3.137 1.00 0.00 C ATOM 1091 C ILE A 72 -8.888 -2.109 2.588 1.00 0.00 C ATOM 1092 O ILE A 72 -10.047 -2.209 2.993 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.826 0.095 2.094 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -7.005 1.254 2.664 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.201 0.577 1.656 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.594 1.847 3.925 1.00 0.00 C ATOM 0 H ILE A 72 -5.865 -1.107 3.066 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.384 -0.619 4.052 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.306 -0.299 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.994 0.904 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.921 2.036 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.090 1.372 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.754 -0.252 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.746 0.957 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.961 2.663 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.594 2.227 3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.652 1.078 4.696 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.372 -2.914 1.667 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.154 -3.987 1.064 1.00 0.00 C ATOM 1110 C LEU A 73 -9.431 -5.094 2.076 1.00 0.00 C ATOM 1111 O LEU A 73 -10.572 -5.300 2.492 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.419 -4.561 -0.149 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.246 -3.616 -1.338 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.459 -4.295 -2.449 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.601 -3.150 -1.850 1.00 0.00 C ATOM 0 H LEU A 73 -7.415 -2.844 1.321 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.107 -3.570 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.432 -4.892 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.957 -5.446 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.686 -2.742 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.346 -3.607 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.475 -4.579 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.992 -5.186 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.459 -2.478 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.187 -4.013 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.129 -2.625 -1.055 1.00 0.00 H new ATOM 1127 N THR A 74 -8.379 -5.805 2.471 1.00 0.00 N ATOM 1128 CA THR A 74 -8.509 -6.890 3.435 1.00 0.00 C ATOM 1129 C THR A 74 -9.593 -6.586 4.463 1.00 0.00 C ATOM 1130 O THR A 74 -10.402 -7.450 4.799 1.00 0.00 O ATOM 1131 CB THR A 74 -7.180 -7.151 4.169 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.763 -5.969 4.862 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.097 -7.580 3.191 1.00 0.00 C ATOM 0 H THR A 74 -7.428 -5.648 2.138 1.00 0.00 H new ATOM 0 HA THR A 74 -8.786 -7.781 2.872 1.00 0.00 H new ATOM 0 HB THR A 74 -7.339 -7.956 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.582 -5.257 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.168 -7.759 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.405 -8.496 2.686 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.941 -6.793 2.453 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.604 -5.353 4.957 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.590 -4.935 5.947 1.00 0.00 C ATOM 1143 C ASN A 75 -11.856 -4.419 5.270 1.00 0.00 C ATOM 1144 O ASN A 75 -11.814 -3.451 4.511 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.005 -3.851 6.854 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.217 -4.430 8.013 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.232 -5.639 8.246 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -8.524 -3.567 8.747 1.00 0.00 N ATOM 0 H ASN A 75 -8.941 -4.625 4.688 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.851 -5.803 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.357 -3.200 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.813 -3.230 7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.975 -3.898 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.541 -2.573 8.517 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.979 -5.071 5.551 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.257 -4.677 4.969 1.00 0.00 C ATOM 1157 C GLU A 76 -14.648 -3.272 5.415 1.00 0.00 C ATOM 1158 O GLU A 76 -15.236 -2.508 4.649 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.351 -5.672 5.363 1.00 0.00 C ATOM 1160 CG GLU A 76 -16.508 -5.726 4.379 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.191 -6.558 3.151 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -15.655 -7.674 3.314 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -16.479 -6.093 2.029 1.00 0.00 O ATOM 0 H GLU A 76 -13.030 -5.874 6.178 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.148 -4.678 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.912 -6.666 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.735 -5.406 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.385 -6.140 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.765 -4.713 4.070 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.318 -2.938 6.658 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.636 -1.625 7.207 1.00 0.00 C ATOM 1172 C GLU A 77 -14.095 -0.515 6.309 1.00 0.00 C ATOM 1173 O GLU A 77 -14.836 0.373 5.888 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.058 -1.483 8.617 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.476 -0.202 9.319 1.00 0.00 C ATOM 1176 CD GLU A 77 -15.933 0.144 9.084 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -16.224 0.847 8.093 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -16.783 -0.288 9.891 1.00 0.00 O ATOM 0 H GLU A 77 -13.830 -3.558 7.304 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.721 -1.533 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.373 -2.336 9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.970 -1.518 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.299 -0.305 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.851 0.620 8.970 1.00 0.00 H new ATOM 1185 N SER A 78 -12.799 -0.573 6.023 1.00 0.00 N ATOM 1186 CA SER A 78 -12.157 0.429 5.179 1.00 0.00 C ATOM 1187 C SER A 78 -12.501 0.203 3.710 1.00 0.00 C ATOM 1188 O SER A 78 -12.693 1.154 2.953 1.00 0.00 O ATOM 1189 CB SER A 78 -10.640 0.392 5.372 1.00 0.00 C ATOM 1190 OG SER A 78 -10.164 -0.942 5.419 1.00 0.00 O ATOM 0 H SER A 78 -12.172 -1.303 6.363 1.00 0.00 H new ATOM 0 HA SER A 78 -12.529 1.410 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.153 0.926 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.375 0.909 6.294 1.00 0.00 H new ATOM 0 HG SER A 78 -10.290 -1.365 4.544 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.575 -1.064 3.314 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.894 -1.416 1.936 1.00 0.00 C ATOM 1198 C ARG A 79 -14.230 -0.810 1.515 1.00 0.00 C ATOM 1199 O ARG A 79 -14.374 -0.314 0.399 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.937 -2.936 1.773 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.193 -3.388 0.344 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.073 -4.898 0.208 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.685 -5.296 -1.143 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.595 -6.561 -1.539 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.865 -7.545 -0.693 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.236 -6.843 -2.785 1.00 0.00 N ATOM 0 H ARG A 79 -12.418 -1.863 3.928 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.113 -1.010 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.991 -3.357 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.717 -3.340 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.189 -3.072 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.482 -2.904 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.337 -5.269 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.026 -5.362 0.463 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.472 -4.563 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.143 -7.332 0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.795 -8.515 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.029 -6.088 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.167 -7.814 -3.088 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.205 -0.856 2.418 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.528 -0.311 2.141 1.00 0.00 C ATOM 1222 C ALA A 80 -16.464 1.194 1.905 1.00 0.00 C ATOM 1223 O ALA A 80 -16.987 1.699 0.912 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.479 -0.627 3.285 1.00 0.00 C ATOM 0 H ALA A 80 -15.103 -1.265 3.347 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.903 -0.779 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.463 -0.214 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.557 -1.708 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.099 -0.186 4.207 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.819 1.905 2.824 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.688 3.353 2.716 1.00 0.00 C ATOM 1232 C ARG A 81 -15.093 3.747 1.367 1.00 0.00 C ATOM 1233 O ARG A 81 -15.692 4.515 0.614 1.00 0.00 O ATOM 1234 CB ARG A 81 -14.812 3.893 3.848 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.441 3.751 5.225 1.00 0.00 C ATOM 1236 CD ARG A 81 -14.867 4.762 6.206 1.00 0.00 C ATOM 1237 NE ARG A 81 -15.537 6.056 6.113 1.00 0.00 N ATOM 1238 CZ ARG A 81 -16.781 6.272 6.527 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -17.485 5.284 7.062 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -17.321 7.477 6.409 1.00 0.00 N ATOM 0 H ARG A 81 -15.379 1.502 3.651 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.684 3.789 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.856 3.369 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.600 4.946 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.520 3.888 5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.273 2.742 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.962 4.377 7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.802 4.890 6.013 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.022 6.837 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.072 4.356 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.440 5.452 7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.781 8.240 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.276 7.641 6.727 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.913 3.215 1.069 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.236 3.513 -0.187 1.00 0.00 C ATOM 1256 C TYR A 82 -14.239 3.641 -1.330 1.00 0.00 C ATOM 1257 O TYR A 82 -14.377 4.706 -1.932 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.215 2.421 -0.512 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.591 2.563 -1.881 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.049 3.774 -2.297 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.544 1.489 -2.761 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.478 3.909 -3.548 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.974 1.614 -4.012 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.442 2.826 -4.401 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.875 2.956 -5.648 1.00 0.00 O ATOM 0 H TYR A 82 -13.406 2.575 1.680 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.718 4.465 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.427 2.437 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.702 1.448 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.075 4.624 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.961 0.539 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.062 4.857 -3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.945 0.768 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.930 2.101 -6.123 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.938 2.550 -1.621 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.930 2.539 -2.689 1.00 0.00 C ATOM 1277 C ASP A 83 -16.855 3.748 -2.584 1.00 0.00 C ATOM 1278 O ASP A 83 -17.038 4.488 -3.551 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.750 1.249 -2.640 1.00 0.00 C ATOM 1280 CG ASP A 83 -15.996 0.061 -3.205 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -15.025 -0.387 -2.560 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.377 -0.420 -4.293 1.00 0.00 O ATOM 0 H ASP A 83 -14.836 1.661 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.402 2.589 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.031 1.040 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.675 1.388 -3.200 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.435 3.942 -1.404 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.341 5.061 -1.173 1.00 0.00 C ATOM 1289 C HIS A 84 -17.740 6.364 -1.692 1.00 0.00 C ATOM 1290 O HIS A 84 -18.444 7.204 -2.252 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.657 5.190 0.318 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.763 6.155 0.615 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.078 5.769 0.765 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.743 7.497 0.792 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.820 6.832 1.019 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.034 7.894 1.041 1.00 0.00 N ATOM 0 H HIS A 84 -17.294 3.339 -0.593 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.265 4.866 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.927 4.209 0.710 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.758 5.508 0.845 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.874 8.136 0.746 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.888 6.833 1.181 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.337 8.852 1.215 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.435 6.524 -1.501 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.740 7.725 -1.949 1.00 0.00 C ATOM 1306 C TRP A 85 -15.387 7.629 -3.429 1.00 0.00 C ATOM 1307 O TRP A 85 -15.125 8.640 -4.081 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.471 7.942 -1.123 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.584 9.020 -1.669 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.475 10.302 -1.211 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.684 8.910 -2.777 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.561 10.996 -1.967 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.061 10.164 -2.934 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.342 7.874 -3.650 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.118 10.407 -3.929 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.406 8.117 -4.638 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.802 9.375 -4.770 1.00 0.00 C ATOM 0 H TRP A 85 -15.838 5.838 -1.039 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.407 8.575 -1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.751 8.195 -0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.911 7.008 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -14.026 10.711 -0.377 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.298 11.972 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.801 6.901 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.652 11.376 -4.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.136 7.324 -5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.073 9.533 -5.551 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.383 6.408 -3.955 1.00 0.00 N ATOM 1329 CA ARG A 86 -15.062 6.182 -5.359 1.00 0.00 C ATOM 1330 C ARG A 86 -16.140 6.770 -6.265 1.00 0.00 C ATOM 1331 O ARG A 86 -15.838 7.363 -7.300 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.909 4.685 -5.634 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.931 4.367 -6.752 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.724 2.868 -6.904 1.00 0.00 C ATOM 1335 NE ARG A 86 -14.795 2.243 -7.675 1.00 0.00 N ATOM 1336 CZ ARG A 86 -14.835 0.946 -7.959 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -13.870 0.142 -7.538 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -15.844 0.452 -8.667 1.00 0.00 N ATOM 0 H ARG A 86 -15.598 5.561 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.118 6.682 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.578 4.189 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.884 4.269 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.302 4.781 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.975 4.848 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.768 2.682 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.671 2.407 -5.917 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.554 2.835 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.094 0.518 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.903 -0.854 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.588 1.069 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.875 -0.544 -8.885 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.396 6.599 -5.868 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.519 7.111 -6.645 1.00 0.00 C ATOM 1354 C ARG A 87 -18.616 8.629 -6.524 1.00 0.00 C ATOM 1355 O ARG A 87 -19.047 9.309 -7.455 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.825 6.467 -6.178 1.00 0.00 C ATOM 1357 CG ARG A 87 -20.365 7.053 -4.884 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.805 6.630 -4.639 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.733 7.293 -5.551 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.936 6.815 -5.851 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -24.354 5.678 -5.313 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.723 7.476 -6.691 1.00 0.00 N ATOM 0 H ARG A 87 -17.662 6.110 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.351 6.857 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.576 6.581 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.665 5.397 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.743 6.730 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.306 8.141 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.891 5.550 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -22.081 6.861 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.442 8.171 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.752 5.168 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.278 5.313 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.404 8.351 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.646 7.109 -6.921 1.00 0.00 H new ATOM 1376 N SER A 88 -18.214 9.153 -5.371 1.00 0.00 N ATOM 1377 CA SER A 88 -18.259 10.590 -5.127 1.00 0.00 C ATOM 1378 C SER A 88 -17.157 11.308 -5.899 1.00 0.00 C ATOM 1379 O SER A 88 -17.234 12.514 -6.134 1.00 0.00 O ATOM 1380 CB SER A 88 -18.121 10.879 -3.631 1.00 0.00 C ATOM 1381 OG SER A 88 -18.798 12.073 -3.278 1.00 0.00 O ATOM 0 H SER A 88 -17.853 8.604 -4.591 1.00 0.00 H new ATOM 0 HA SER A 88 -19.223 10.962 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.525 10.045 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.066 10.964 -3.370 1.00 0.00 H new ATOM 0 HG SER A 88 -18.696 12.235 -2.317 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.133 10.557 -6.292 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.014 11.121 -7.037 1.00 0.00 C ATOM 1389 C GLN A 89 -14.681 12.524 -6.541 1.00 0.00 C ATOM 1390 O GLN A 89 -14.268 13.386 -7.316 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.337 11.160 -8.532 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.817 11.340 -8.830 1.00 0.00 C ATOM 1393 CD GLN A 89 -17.132 11.233 -10.309 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -16.376 10.634 -11.075 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -18.253 11.813 -10.720 1.00 0.00 N ATOM 0 H GLN A 89 -16.055 9.557 -6.107 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.145 10.483 -6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.780 11.975 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.992 10.235 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -17.387 10.587 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -17.142 12.314 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -18.851 12.299 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -18.517 11.773 -11.704 1.00 0.00 H new ATOM 1404 N MET A 90 -14.864 12.746 -5.243 1.00 0.00 N ATOM 1405 CA MET A 90 -14.582 14.045 -4.643 1.00 0.00 C ATOM 1406 C MET A 90 -13.256 14.602 -5.151 1.00 0.00 C ATOM 1407 O MET A 90 -12.448 13.876 -5.731 1.00 0.00 O ATOM 1408 CB MET A 90 -14.550 13.930 -3.118 1.00 0.00 C ATOM 1409 CG MET A 90 -15.921 13.727 -2.495 1.00 0.00 C ATOM 1410 SD MET A 90 -16.030 14.392 -0.822 1.00 0.00 S ATOM 1411 CE MET A 90 -16.446 12.916 0.103 1.00 0.00 C ATOM 0 H MET A 90 -15.206 12.044 -4.587 1.00 0.00 H new ATOM 0 HA MET A 90 -15.378 14.731 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.906 13.096 -2.838 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.102 14.833 -2.703 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.675 14.205 -3.121 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.152 12.662 -2.474 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.548 13.165 1.159 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.387 12.509 -0.266 1.00 0.00 H new ATOM 0 HE3 MET A 90 -15.657 12.175 -0.020 1.00 0.00 H new ATOM 1421 N SER A 91 -13.038 15.895 -4.930 1.00 0.00 N ATOM 1422 CA SER A 91 -11.812 16.550 -5.369 1.00 0.00 C ATOM 1423 C SER A 91 -10.600 15.980 -4.636 1.00 0.00 C ATOM 1424 O SER A 91 -9.598 15.624 -5.256 1.00 0.00 O ATOM 1425 CB SER A 91 -11.902 18.059 -5.133 1.00 0.00 C ATOM 1426 OG SER A 91 -12.016 18.353 -3.752 1.00 0.00 O ATOM 0 H SER A 91 -13.695 16.509 -4.449 1.00 0.00 H new ATOM 0 HA SER A 91 -11.691 16.363 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.017 18.547 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.763 18.463 -5.666 1.00 0.00 H new ATOM 0 HG SER A 91 -12.070 19.324 -3.628 1.00 0.00 H new ATOM 1432 N MET A 92 -10.701 15.898 -3.314 1.00 0.00 N ATOM 1433 CA MET A 92 -9.614 15.371 -2.497 1.00 0.00 C ATOM 1434 C MET A 92 -9.600 13.846 -2.529 1.00 0.00 C ATOM 1435 O MET A 92 -10.617 13.197 -2.771 1.00 0.00 O ATOM 1436 CB MET A 92 -9.749 15.861 -1.053 1.00 0.00 C ATOM 1437 CG MET A 92 -10.576 14.938 -0.173 1.00 0.00 C ATOM 1438 SD MET A 92 -12.279 14.776 -0.743 1.00 0.00 S ATOM 1439 CE MET A 92 -13.099 14.290 0.774 1.00 0.00 C ATOM 0 H MET A 92 -11.523 16.189 -2.786 1.00 0.00 H new ATOM 0 HA MET A 92 -8.673 15.734 -2.910 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.755 15.968 -0.620 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.204 16.852 -1.055 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.110 13.953 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.574 15.318 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.656 13.368 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.355 14.128 1.554 1.00 0.00 H new ATOM 0 HE3 MET A 92 -13.785 15.078 1.085 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.419 13.259 -2.280 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.245 11.804 -2.275 1.00 0.00 C ATOM 1451 C PRO A 93 -8.936 11.141 -1.088 1.00 0.00 C ATOM 1452 O PRO A 93 -9.066 11.739 -0.020 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.727 11.629 -2.176 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.244 12.877 -1.520 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.165 13.971 -1.983 1.00 0.00 C ATOM 0 HA PRO A 93 -8.685 11.338 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.467 10.748 -1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.278 11.500 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.267 12.781 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.212 13.091 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.306 14.730 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.774 14.480 -2.864 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.377 9.903 -1.283 1.00 0.00 N ATOM 1464 CA PHE A 94 -10.055 9.159 -0.228 1.00 0.00 C ATOM 1465 C PHE A 94 -9.283 9.250 1.085 1.00 0.00 C ATOM 1466 O PHE A 94 -9.862 9.506 2.140 1.00 0.00 O ATOM 1467 CB PHE A 94 -10.221 7.693 -0.634 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.459 6.772 0.528 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.734 6.597 1.042 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.407 6.079 1.106 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.954 5.751 2.112 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.622 5.231 2.176 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.897 5.066 2.679 1.00 0.00 C ATOM 0 H PHE A 94 -9.277 9.394 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.040 9.602 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -11.056 7.609 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.327 7.369 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.565 7.128 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.408 6.203 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.952 5.625 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.793 4.698 2.618 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.068 4.403 3.514 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.973 9.037 1.010 1.00 0.00 N ATOM 1484 CA GLN A 95 -7.122 9.093 2.193 1.00 0.00 C ATOM 1485 C GLN A 95 -7.514 10.262 3.091 1.00 0.00 C ATOM 1486 O GLN A 95 -7.644 10.107 4.305 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.653 9.219 1.784 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.713 9.448 2.956 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.314 9.831 2.516 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -3.029 9.921 1.321 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.430 10.058 3.481 1.00 0.00 N ATOM 0 H GLN A 95 -7.478 8.824 0.144 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.259 8.167 2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.352 8.313 1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.550 10.045 1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.118 10.235 3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.664 8.542 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.709 9.972 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.472 10.318 3.245 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.702 11.430 2.485 1.00 0.00 N ATOM 1501 CA GLN A 96 -8.078 12.625 3.231 1.00 0.00 C ATOM 1502 C GLN A 96 -9.473 12.476 3.829 1.00 0.00 C ATOM 1503 O GLN A 96 -9.735 12.936 4.940 1.00 0.00 O ATOM 1504 CB GLN A 96 -8.027 13.855 2.324 1.00 0.00 C ATOM 1505 CG GLN A 96 -8.121 15.172 3.078 1.00 0.00 C ATOM 1506 CD GLN A 96 -9.551 15.647 3.246 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -10.325 15.067 4.008 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -9.910 16.709 2.533 1.00 0.00 N ATOM 0 H GLN A 96 -7.600 11.574 1.480 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.365 12.754 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.098 13.838 1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.843 13.799 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.662 15.058 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.550 15.933 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.236 17.159 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.860 17.074 2.605 1.00 0.00 H new ATOM 1517 N TRP A 97 -10.365 11.832 3.084 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.734 11.624 3.541 1.00 0.00 C ATOM 1519 C TRP A 97 -11.768 10.713 4.763 1.00 0.00 C ATOM 1520 O TRP A 97 -12.451 11.002 5.744 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.582 11.024 2.418 1.00 0.00 C ATOM 1522 CG TRP A 97 -14.033 10.897 2.772 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.860 11.893 3.207 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.826 9.706 2.724 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -16.120 11.393 3.432 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -16.126 10.054 3.142 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.566 8.381 2.366 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -17.159 9.124 3.212 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -15.593 7.458 2.436 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.876 7.833 2.856 1.00 0.00 C ATOM 0 H TRP A 97 -10.165 11.445 2.162 1.00 0.00 H new ATOM 0 HA TRP A 97 -12.148 12.592 3.822 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -12.486 11.646 1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -12.190 10.039 2.163 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.567 12.922 3.353 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.921 11.932 3.762 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.580 8.083 2.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -18.149 9.411 3.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -15.403 6.431 2.162 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.657 7.089 2.900 1.00 0.00 H new ATOM 1541 N GLU A 98 -11.025 9.612 4.696 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.972 8.659 5.798 1.00 0.00 C ATOM 1543 C GLU A 98 -10.143 9.211 6.955 1.00 0.00 C ATOM 1544 O GLU A 98 -10.290 8.781 8.098 1.00 0.00 O ATOM 1545 CB GLU A 98 -10.383 7.329 5.324 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.028 7.469 4.650 1.00 0.00 C ATOM 1547 CD GLU A 98 -8.254 6.165 4.621 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -8.883 5.098 4.778 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -7.020 6.213 4.440 1.00 0.00 O ATOM 0 H GLU A 98 -10.452 9.359 3.891 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.990 8.492 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.287 6.659 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.079 6.861 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.169 7.826 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.442 8.224 5.174 1.00 0.00 H new ATOM 1556 N ALA A 99 -9.271 10.166 6.647 1.00 0.00 N ATOM 1557 CA ALA A 99 -8.420 10.778 7.660 1.00 0.00 C ATOM 1558 C ALA A 99 -9.246 11.584 8.657 1.00 0.00 C ATOM 1559 O ALA A 99 -8.957 11.593 9.854 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.371 11.662 7.003 1.00 0.00 C ATOM 0 H ALA A 99 -9.136 10.532 5.705 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.916 9.981 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.742 12.113 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.754 11.060 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.864 12.448 6.430 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.273 12.261 8.156 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.141 13.072 9.003 1.00 0.00 C ATOM 1568 C LEU A 100 -11.726 12.239 10.139 1.00 0.00 C ATOM 1569 O LEU A 100 -11.758 12.676 11.289 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.270 13.685 8.172 1.00 0.00 C ATOM 1571 CG LEU A 100 -11.838 14.588 7.016 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -12.891 14.592 5.919 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -11.578 16.003 7.513 1.00 0.00 C ATOM 0 H LEU A 100 -10.525 12.265 7.168 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.540 13.872 9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.877 12.875 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.912 14.262 8.837 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.911 14.194 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.566 15.240 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.028 13.578 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.834 14.961 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.272 16.632 6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.489 16.406 7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.787 15.986 8.263 1.00 0.00 H new ATOM 1585 N ASN A 101 -12.185 11.036 9.809 1.00 0.00 N ATOM 1586 CA ASN A 101 -12.767 10.141 10.802 1.00 0.00 C ATOM 1587 C ASN A 101 -11.894 10.075 12.052 1.00 0.00 C ATOM 1588 O ASN A 101 -12.391 10.177 13.174 1.00 0.00 O ATOM 1589 CB ASN A 101 -12.943 8.739 10.215 1.00 0.00 C ATOM 1590 CG ASN A 101 -13.867 7.874 11.050 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -13.784 7.864 12.279 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -14.754 7.143 10.386 1.00 0.00 N ATOM 0 H ASN A 101 -12.165 10.659 8.862 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.744 10.535 11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.341 8.819 9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.969 8.256 10.137 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -15.402 6.542 10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -14.787 7.182 9.367 1.00 0.00 H new ATOM 1599 N ASP A 102 -10.593 9.904 11.850 1.00 0.00 N ATOM 1600 CA ASP A 102 -9.650 9.826 12.960 1.00 0.00 C ATOM 1601 C ASP A 102 -9.388 11.209 13.548 1.00 0.00 C ATOM 1602 O ASP A 102 -8.814 12.076 12.890 1.00 0.00 O ATOM 1603 CB ASP A 102 -8.335 9.197 12.497 1.00 0.00 C ATOM 1604 CG ASP A 102 -7.251 9.278 13.554 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -7.471 8.766 14.672 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -6.182 9.854 13.263 1.00 0.00 O ATOM 0 H ASP A 102 -10.166 9.817 10.928 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.090 9.199 13.735 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.507 8.153 12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.994 9.699 11.592 1.00 0.00 H new ATOM 1611 N SER A 103 -9.813 11.407 14.792 1.00 0.00 N ATOM 1612 CA SER A 103 -9.628 12.686 15.468 1.00 0.00 C ATOM 1613 C SER A 103 -8.154 13.079 15.494 1.00 0.00 C ATOM 1614 O SER A 103 -7.291 12.329 15.036 1.00 0.00 O ATOM 1615 CB SER A 103 -10.174 12.617 16.895 1.00 0.00 C ATOM 1616 OG SER A 103 -10.469 13.911 17.392 1.00 0.00 O ATOM 0 H SER A 103 -10.287 10.699 15.352 1.00 0.00 H new ATOM 0 HA SER A 103 -10.179 13.445 14.912 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.074 12.003 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.444 12.133 17.544 1.00 0.00 H new ATOM 0 HG SER A 103 -10.818 13.839 18.305 1.00 0.00 H new ATOM 1622 N VAL A 104 -7.872 14.261 16.033 1.00 0.00 N ATOM 1623 CA VAL A 104 -6.503 14.755 16.120 1.00 0.00 C ATOM 1624 C VAL A 104 -6.286 15.547 17.405 1.00 0.00 C ATOM 1625 O VAL A 104 -6.862 16.618 17.592 1.00 0.00 O ATOM 1626 CB VAL A 104 -6.150 15.646 14.915 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -5.721 14.796 13.729 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -7.328 16.535 14.546 1.00 0.00 C ATOM 0 H VAL A 104 -8.574 14.894 16.416 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.851 13.882 16.120 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.314 16.287 15.193 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.476 15.443 12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.845 14.207 14.001 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.534 14.127 13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.060 17.158 13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.186 15.914 14.287 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.583 17.171 15.393 1.00 0.00 H new ATOM 1638 N LYS A 105 -5.449 15.012 18.288 1.00 0.00 N ATOM 1639 CA LYS A 105 -5.152 15.669 19.556 1.00 0.00 C ATOM 1640 C LYS A 105 -3.954 16.602 19.418 1.00 0.00 C ATOM 1641 O LYS A 105 -3.123 16.434 18.525 1.00 0.00 O ATOM 1642 CB LYS A 105 -4.878 14.626 20.642 1.00 0.00 C ATOM 1643 CG LYS A 105 -5.016 15.167 22.054 1.00 0.00 C ATOM 1644 CD LYS A 105 -5.426 14.078 23.031 1.00 0.00 C ATOM 1645 CE LYS A 105 -4.258 13.164 23.369 1.00 0.00 C ATOM 1646 NZ LYS A 105 -4.108 12.066 22.374 1.00 0.00 N ATOM 0 H LYS A 105 -4.964 14.125 18.149 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.021 16.262 19.842 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.566 13.791 20.513 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.870 14.232 20.510 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.069 15.604 22.371 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.757 15.967 22.067 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.810 14.533 23.944 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.237 13.490 22.602 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.339 13.748 23.407 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.406 12.738 24.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.672 11.240 22.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.044 11.803 22.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.503 12.387 21.591 1.00 0.00 H new ATOM 1660 N THR A 106 -3.869 17.584 20.309 1.00 0.00 N ATOM 1661 CA THR A 106 -2.771 18.543 20.287 1.00 0.00 C ATOM 1662 C THR A 106 -1.447 17.856 19.977 1.00 0.00 C ATOM 1663 O THR A 106 -1.240 16.696 20.333 1.00 0.00 O ATOM 1664 CB THR A 106 -2.649 19.288 21.630 1.00 0.00 C ATOM 1665 OG1 THR A 106 -1.542 20.196 21.588 1.00 0.00 O ATOM 1666 CG2 THR A 106 -2.462 18.306 22.777 1.00 0.00 C ATOM 0 H THR A 106 -4.547 17.737 21.055 1.00 0.00 H new ATOM 0 HA THR A 106 -2.996 19.263 19.500 1.00 0.00 H new ATOM 0 HB THR A 106 -3.570 19.847 21.796 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.472 20.667 22.445 1.00 0.00 H new ATOM 0 HG21 THR A 106 -2.378 18.854 23.715 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.319 17.634 22.824 1.00 0.00 H new ATOM 0 HG23 THR A 106 -1.554 17.725 22.614 1.00 0.00 H new ATOM 1674 N SER A 107 -0.552 18.579 19.311 1.00 0.00 N ATOM 1675 CA SER A 107 0.753 18.038 18.951 1.00 0.00 C ATOM 1676 C SER A 107 1.845 18.603 19.853 1.00 0.00 C ATOM 1677 O SER A 107 1.570 19.381 20.766 1.00 0.00 O ATOM 1678 CB SER A 107 1.072 18.351 17.487 1.00 0.00 C ATOM 1679 OG SER A 107 0.521 17.372 16.624 1.00 0.00 O ATOM 0 H SER A 107 -0.707 19.541 19.010 1.00 0.00 H new ATOM 0 HA SER A 107 0.719 16.957 19.086 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.676 19.333 17.227 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.152 18.396 17.349 1.00 0.00 H new ATOM 0 HG SER A 107 0.737 17.596 15.695 1.00 0.00 H new ATOM 1685 N GLY A 108 3.087 18.206 19.591 1.00 0.00 N ATOM 1686 CA GLY A 108 4.202 18.683 20.387 1.00 0.00 C ATOM 1687 C GLY A 108 5.093 19.641 19.623 1.00 0.00 C ATOM 1688 O GLY A 108 4.696 20.219 18.610 1.00 0.00 O ATOM 0 H GLY A 108 3.340 17.562 18.841 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.821 19.180 21.279 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.794 17.832 20.724 1.00 0.00 H new ATOM 1692 N PRO A 109 6.330 19.823 20.110 1.00 0.00 N ATOM 1693 CA PRO A 109 7.305 20.719 19.482 1.00 0.00 C ATOM 1694 C PRO A 109 7.805 20.184 18.144 1.00 0.00 C ATOM 1695 O PRO A 109 8.146 20.954 17.246 1.00 0.00 O ATOM 1696 CB PRO A 109 8.448 20.769 20.499 1.00 0.00 C ATOM 1697 CG PRO A 109 8.338 19.490 21.255 1.00 0.00 C ATOM 1698 CD PRO A 109 6.871 19.167 21.313 1.00 0.00 C ATOM 0 HA PRO A 109 6.875 21.695 19.256 1.00 0.00 H new ATOM 0 HB2 PRO A 109 9.415 20.854 20.004 1.00 0.00 H new ATOM 0 HB3 PRO A 109 8.352 21.630 21.161 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.893 18.694 20.758 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.755 19.592 22.257 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.695 18.091 21.298 1.00 0.00 H new ATOM 0 HD3 PRO A 109 6.410 19.552 22.223 1.00 0.00 H new ATOM 1706 N SER A 110 7.846 18.862 18.019 1.00 0.00 N ATOM 1707 CA SER A 110 8.308 18.224 16.791 1.00 0.00 C ATOM 1708 C SER A 110 7.606 18.818 15.573 1.00 0.00 C ATOM 1709 O SER A 110 6.535 18.359 15.176 1.00 0.00 O ATOM 1710 CB SER A 110 8.062 16.715 16.851 1.00 0.00 C ATOM 1711 OG SER A 110 6.680 16.420 16.756 1.00 0.00 O ATOM 0 H SER A 110 7.565 18.211 18.753 1.00 0.00 H new ATOM 0 HA SER A 110 9.378 18.406 16.696 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.599 16.223 16.040 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.459 16.315 17.784 1.00 0.00 H new ATOM 0 HG SER A 110 6.245 17.076 16.173 1.00 0.00 H new ATOM 1717 N SER A 111 8.218 19.840 14.985 1.00 0.00 N ATOM 1718 CA SER A 111 7.651 20.500 13.815 1.00 0.00 C ATOM 1719 C SER A 111 8.284 19.969 12.532 1.00 0.00 C ATOM 1720 O SER A 111 9.229 19.182 12.572 1.00 0.00 O ATOM 1721 CB SER A 111 7.854 22.014 13.909 1.00 0.00 C ATOM 1722 OG SER A 111 7.936 22.598 12.620 1.00 0.00 O ATOM 0 H SER A 111 9.107 20.229 15.299 1.00 0.00 H new ATOM 0 HA SER A 111 6.583 20.285 13.789 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.028 22.461 14.463 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.765 22.228 14.467 1.00 0.00 H new ATOM 0 HG SER A 111 8.064 23.566 12.707 1.00 0.00 H new ATOM 1728 N GLY A 112 7.755 20.407 11.394 1.00 0.00 N ATOM 1729 CA GLY A 112 8.280 19.966 10.114 1.00 0.00 C ATOM 1730 C GLY A 112 7.812 20.836 8.965 1.00 0.00 C ATOM 1731 O GLY A 112 7.266 21.919 9.179 1.00 0.00 O ATOM 0 H GLY A 112 6.973 21.059 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.369 19.972 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.973 18.936 9.934 1.00 0.00 H new TER 1735 GLY A 112