USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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: B 196 HIS : no HD1:sc= 0.208 K(o=0.46,f=-0.049) USER MOD Set 1.2: B 197 THR OG1 : rot 63:sc= 0.255 USER MOD Set 2.1: A 16 ASN : amide:sc= -0.142 X(o=-0.15,f=-0.0084) USER MOD Set 2.2: A 28 SER OG : rot 180:sc=-0.00844 USER MOD Set 3.1: A 19 GLN : amide:sc= 0.868 K(o=2.1,f=0.92!) USER MOD Set 3.2: A 26 SER OG : rot -88:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0437 (180deg=-0.438) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -5.6! K(o=-5.6!,f=-2.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.804 K(o=-0.8,f=-5.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.69! K(o=-3.7!,f=-0.81) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0547 (180deg=-0.267) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.57) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 108:sc= 1.48 USER MOD Single : A 58 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 198 LYS NZ :NH3+ -166:sc= -0.0352 (180deg=-0.264) USER MOD Single : B 199 SER OG : rot 31:sc= 0.459 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 3:sc= 0.628 USER MOD Single : B 204 SER OG : rot 45:sc= 0.837 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.416 -18.211 -3.571 1.00 0.00 N ATOM 2 CA MET A 1 -27.766 -17.648 -3.829 1.00 0.00 C ATOM 3 C MET A 1 -27.974 -16.355 -3.047 1.00 0.00 C ATOM 4 O MET A 1 -28.298 -15.316 -3.623 1.00 0.00 O ATOM 5 CB MET A 1 -28.842 -18.667 -3.444 1.00 0.00 C ATOM 6 CG MET A 1 -28.688 -20.008 -4.144 1.00 0.00 C ATOM 7 SD MET A 1 -29.963 -21.191 -3.673 1.00 0.00 S ATOM 8 CE MET A 1 -29.450 -22.631 -4.605 1.00 0.00 C ATOM 0 H1 MET A 1 -26.191 -18.920 -4.298 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.710 -17.448 -3.601 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.401 -18.660 -2.633 1.00 0.00 H new ATOM 0 HA MET A 1 -27.845 -17.425 -4.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.813 -18.824 -2.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.823 -18.254 -3.680 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.721 -19.856 -5.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.708 -20.424 -3.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.143 -23.451 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.447 -22.394 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.447 -22.926 -4.296 1.00 0.00 H new ATOM 20 N THR A 2 -27.783 -16.427 -1.734 1.00 0.00 N ATOM 21 CA THR A 2 -27.948 -15.261 -0.871 1.00 0.00 C ATOM 22 C THR A 2 -26.601 -14.627 -0.542 1.00 0.00 C ATOM 23 O THR A 2 -26.390 -13.436 -0.778 1.00 0.00 O ATOM 24 CB THR A 2 -28.663 -15.632 0.442 1.00 0.00 C ATOM 25 OG1 THR A 2 -29.918 -16.261 0.156 1.00 0.00 O ATOM 26 CG2 THR A 2 -28.898 -14.397 1.301 1.00 0.00 C ATOM 0 H THR A 2 -27.514 -17.280 -1.243 1.00 0.00 H new ATOM 0 HA THR A 2 -28.560 -14.544 -1.419 1.00 0.00 H new ATOM 0 HB THR A 2 -28.025 -16.323 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 2 -30.365 -16.495 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 2 -29.404 -14.686 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 2 -27.941 -13.934 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 2 -29.517 -13.686 0.754 1.00 0.00 H new ATOM 34 N ASP A 3 -25.691 -15.429 0.002 1.00 0.00 N ATOM 35 CA ASP A 3 -24.364 -14.946 0.365 1.00 0.00 C ATOM 36 C ASP A 3 -23.454 -14.881 -0.857 1.00 0.00 C ATOM 37 O ASP A 3 -23.079 -15.910 -1.421 1.00 0.00 O ATOM 38 CB ASP A 3 -23.742 -15.850 1.430 1.00 0.00 C ATOM 39 CG ASP A 3 -24.562 -15.888 2.705 1.00 0.00 C ATOM 40 OD1 ASP A 3 -24.326 -15.038 3.589 1.00 0.00 O ATOM 41 OD2 ASP A 3 -25.443 -16.767 2.818 1.00 0.00 O ATOM 0 H ASP A 3 -25.849 -16.417 0.201 1.00 0.00 H new ATOM 0 HA ASP A 3 -24.471 -13.940 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.645 -16.861 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -22.736 -15.499 1.658 1.00 0.00 H new ATOM 46 N ASN A 4 -23.103 -13.664 -1.260 1.00 0.00 N ATOM 47 CA ASN A 4 -22.235 -13.459 -2.414 1.00 0.00 C ATOM 48 C ASN A 4 -21.571 -12.086 -2.355 1.00 0.00 C ATOM 49 O ASN A 4 -22.236 -11.061 -2.502 1.00 0.00 O ATOM 50 CB ASN A 4 -23.031 -13.598 -3.712 1.00 0.00 C ATOM 51 CG ASN A 4 -22.176 -13.370 -4.943 1.00 0.00 C ATOM 52 OD1 ASN A 4 -20.976 -13.648 -4.940 1.00 0.00 O ATOM 53 ND2 ASN A 4 -22.789 -12.861 -6.005 1.00 0.00 N ATOM 0 H ASN A 4 -23.407 -12.804 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 4 -21.457 -14.222 -2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -23.472 -14.593 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -23.855 -12.884 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.264 -12.686 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -23.785 -12.645 -5.964 1.00 0.00 H new ATOM 60 N SER A 5 -20.259 -12.075 -2.141 1.00 0.00 N ATOM 61 CA SER A 5 -19.510 -10.825 -2.063 1.00 0.00 C ATOM 62 C SER A 5 -18.045 -11.040 -2.433 1.00 0.00 C ATOM 63 O SER A 5 -17.521 -12.149 -2.323 1.00 0.00 O ATOM 64 CB SER A 5 -19.611 -10.232 -0.657 1.00 0.00 C ATOM 65 OG SER A 5 -20.959 -9.954 -0.318 1.00 0.00 O ATOM 0 H SER A 5 -19.693 -12.915 -2.019 1.00 0.00 H new ATOM 0 HA SER A 5 -19.946 -10.127 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.187 -10.928 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.022 -9.316 -0.602 1.00 0.00 H new ATOM 0 HG SER A 5 -20.998 -9.577 0.586 1.00 0.00 H new ATOM 71 N ASN A 6 -17.391 -9.970 -2.875 1.00 0.00 N ATOM 72 CA ASN A 6 -15.987 -10.037 -3.266 1.00 0.00 C ATOM 73 C ASN A 6 -15.073 -9.734 -2.082 1.00 0.00 C ATOM 74 O ASN A 6 -13.946 -10.225 -2.015 1.00 0.00 O ATOM 75 CB ASN A 6 -15.710 -9.054 -4.405 1.00 0.00 C ATOM 76 CG ASN A 6 -16.596 -9.303 -5.610 1.00 0.00 C ATOM 77 OD1 ASN A 6 -17.001 -10.436 -5.873 1.00 0.00 O ATOM 78 ND2 ASN A 6 -16.903 -8.244 -6.351 1.00 0.00 N ATOM 0 H ASN A 6 -17.811 -9.046 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 6 -15.779 -11.051 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.864 -8.036 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.665 -9.133 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -17.496 -8.352 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.546 -7.323 -6.097 1.00 0.00 H new ATOM 85 N ASN A 7 -15.567 -8.918 -1.151 1.00 0.00 N ATOM 86 CA ASN A 7 -14.797 -8.545 0.033 1.00 0.00 C ATOM 87 C ASN A 7 -13.472 -7.894 -0.357 1.00 0.00 C ATOM 88 O ASN A 7 -12.523 -7.875 0.428 1.00 0.00 O ATOM 89 CB ASN A 7 -14.542 -9.772 0.914 1.00 0.00 C ATOM 90 CG ASN A 7 -15.818 -10.330 1.514 1.00 0.00 C ATOM 91 OD1 ASN A 7 -16.223 -9.944 2.610 1.00 0.00 O ATOM 92 ND2 ASN A 7 -16.459 -11.243 0.795 1.00 0.00 N ATOM 0 H ASN A 7 -16.498 -8.503 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 7 -15.381 -7.819 0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.054 -10.546 0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.854 -9.503 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.324 -11.654 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.087 -11.534 -0.109 1.00 0.00 H new ATOM 99 N GLN A 8 -13.417 -7.359 -1.573 1.00 0.00 N ATOM 100 CA GLN A 8 -12.209 -6.706 -2.068 1.00 0.00 C ATOM 101 C GLN A 8 -12.096 -5.280 -1.534 1.00 0.00 C ATOM 102 O GLN A 8 -12.925 -4.424 -1.843 1.00 0.00 O ATOM 103 CB GLN A 8 -12.200 -6.694 -3.600 1.00 0.00 C ATOM 104 CG GLN A 8 -11.080 -5.855 -4.199 1.00 0.00 C ATOM 105 CD GLN A 8 -9.712 -6.237 -3.667 1.00 0.00 C ATOM 106 OE1 GLN A 8 -9.461 -7.396 -3.337 1.00 0.00 O ATOM 107 NE2 GLN A 8 -8.820 -5.257 -3.578 1.00 0.00 N ATOM 0 H GLN A 8 -14.194 -7.365 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.350 -7.274 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.108 -7.718 -3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.157 -6.314 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.088 -5.967 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.267 -4.802 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.072 -4.311 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.883 -5.451 -3.225 1.00 0.00 H new ATOM 116 N LEU A 9 -11.065 -5.036 -0.732 1.00 0.00 N ATOM 117 CA LEU A 9 -10.836 -3.714 -0.159 1.00 0.00 C ATOM 118 C LEU A 9 -10.107 -2.822 -1.159 1.00 0.00 C ATOM 119 O LEU A 9 -9.088 -3.214 -1.726 1.00 0.00 O ATOM 120 CB LEU A 9 -10.027 -3.833 1.138 1.00 0.00 C ATOM 121 CG LEU A 9 -10.002 -2.579 2.018 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.702 -2.952 3.460 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.975 -1.580 1.507 1.00 0.00 C ATOM 0 H LEU A 9 -10.374 -5.737 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.800 -3.261 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.432 -4.658 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.001 -4.097 0.882 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.986 -2.111 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.687 -2.051 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.472 -3.629 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.731 -3.444 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.975 -0.698 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.985 -2.037 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.227 -1.288 0.488 1.00 0.00 H new ATOM 135 N VAL A 10 -10.637 -1.623 -1.371 1.00 0.00 N ATOM 136 CA VAL A 10 -10.040 -0.678 -2.310 1.00 0.00 C ATOM 137 C VAL A 10 -9.348 0.468 -1.576 1.00 0.00 C ATOM 138 O VAL A 10 -9.887 1.016 -0.615 1.00 0.00 O ATOM 139 CB VAL A 10 -11.102 -0.098 -3.263 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.446 0.713 -4.369 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.962 -1.209 -3.844 1.00 0.00 C ATOM 0 H VAL A 10 -11.478 -1.281 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.299 -1.229 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.748 0.569 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.214 1.114 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.880 1.535 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.773 0.073 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.706 -0.780 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.332 -1.905 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.465 -1.740 -3.036 1.00 0.00 H new ATOM 151 N VAL A 11 -8.151 0.826 -2.037 1.00 0.00 N ATOM 152 CA VAL A 11 -7.388 1.908 -1.425 1.00 0.00 C ATOM 153 C VAL A 11 -6.926 2.917 -2.477 1.00 0.00 C ATOM 154 O VAL A 11 -6.864 2.601 -3.665 1.00 0.00 O ATOM 155 CB VAL A 11 -6.166 1.364 -0.656 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.063 0.934 -1.612 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.657 2.397 0.336 1.00 0.00 C ATOM 0 H VAL A 11 -7.690 0.382 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.049 2.411 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.481 0.482 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.215 0.555 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.437 0.150 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.746 1.789 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.795 1.996 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.365 3.301 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.446 2.636 1.049 1.00 0.00 H new ATOM 167 N ARG A 12 -6.603 4.131 -2.034 1.00 0.00 N ATOM 168 CA ARG A 12 -6.154 5.182 -2.943 1.00 0.00 C ATOM 169 C ARG A 12 -4.839 5.798 -2.473 1.00 0.00 C ATOM 170 O ARG A 12 -4.677 6.123 -1.296 1.00 0.00 O ATOM 171 CB ARG A 12 -7.225 6.269 -3.065 1.00 0.00 C ATOM 172 CG ARG A 12 -6.853 7.385 -4.028 1.00 0.00 C ATOM 173 CD ARG A 12 -7.935 8.451 -4.092 1.00 0.00 C ATOM 174 NE ARG A 12 -9.206 7.912 -4.571 1.00 0.00 N ATOM 175 CZ ARG A 12 -10.213 8.667 -5.000 1.00 0.00 C ATOM 176 NH1 ARG A 12 -10.101 9.989 -5.005 1.00 0.00 N ATOM 177 NH2 ARG A 12 -11.334 8.100 -5.422 1.00 0.00 N ATOM 0 H ARG A 12 -6.644 4.410 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.987 4.729 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.158 5.812 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.410 6.697 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.912 7.838 -3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.691 6.970 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.075 8.885 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.612 9.257 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.328 6.899 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.240 10.429 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.875 10.565 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.425 7.084 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.106 8.680 -5.751 1.00 0.00 H new ATOM 191 N ALA A 13 -3.905 5.952 -3.406 1.00 0.00 N ATOM 192 CA ALA A 13 -2.598 6.525 -3.106 1.00 0.00 C ATOM 193 C ALA A 13 -2.714 7.968 -2.623 1.00 0.00 C ATOM 194 O ALA A 13 -3.447 8.770 -3.201 1.00 0.00 O ATOM 195 CB ALA A 13 -1.706 6.453 -4.334 1.00 0.00 C ATOM 0 H ALA A 13 -4.031 5.686 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.153 5.941 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.732 6.883 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.581 5.412 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.164 7.012 -5.150 1.00 0.00 H new ATOM 201 N LYS A 14 -1.985 8.289 -1.556 1.00 0.00 N ATOM 202 CA LYS A 14 -1.997 9.638 -0.998 1.00 0.00 C ATOM 203 C LYS A 14 -0.792 10.439 -1.484 1.00 0.00 C ATOM 204 O LYS A 14 -0.942 11.464 -2.149 1.00 0.00 O ATOM 205 CB LYS A 14 -2.006 9.583 0.531 1.00 0.00 C ATOM 206 CG LYS A 14 -3.198 8.834 1.108 1.00 0.00 C ATOM 207 CD LYS A 14 -3.182 8.833 2.629 1.00 0.00 C ATOM 208 CE LYS A 14 -3.344 10.235 3.196 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.478 10.224 4.680 1.00 0.00 N ATOM 0 H LYS A 14 -1.380 7.634 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.904 10.136 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.088 9.106 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.003 10.600 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.121 9.293 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.193 7.807 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.984 8.196 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.244 8.404 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.484 10.842 2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.224 10.705 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.586 11.199 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.314 9.666 4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.628 9.799 5.102 1.00 0.00 H new ATOM 223 N PHE A 15 0.403 9.963 -1.145 1.00 0.00 N ATOM 224 CA PHE A 15 1.639 10.635 -1.539 1.00 0.00 C ATOM 225 C PHE A 15 2.325 9.894 -2.683 1.00 0.00 C ATOM 226 O PHE A 15 2.011 8.737 -2.962 1.00 0.00 O ATOM 227 CB PHE A 15 2.595 10.732 -0.348 1.00 0.00 C ATOM 228 CG PHE A 15 1.946 11.226 0.914 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.309 12.456 0.947 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.976 10.459 2.067 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.714 12.912 2.108 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.383 10.910 3.231 1.00 0.00 C ATOM 233 CZ PHE A 15 0.750 12.139 3.251 1.00 0.00 C ATOM 0 H PHE A 15 0.542 9.114 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 15 1.379 11.638 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.029 9.749 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.417 11.399 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.277 13.065 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.468 9.498 2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.221 13.873 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.414 10.303 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.285 12.493 4.159 1.00 0.00 H new ATOM 243 N ASN A 16 3.260 10.572 -3.342 1.00 0.00 N ATOM 244 CA ASN A 16 3.999 9.975 -4.449 1.00 0.00 C ATOM 245 C ASN A 16 5.068 9.017 -3.928 1.00 0.00 C ATOM 246 O ASN A 16 6.111 9.446 -3.434 1.00 0.00 O ATOM 247 CB ASN A 16 4.645 11.063 -5.308 1.00 0.00 C ATOM 248 CG ASN A 16 5.438 10.489 -6.467 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.903 10.273 -7.555 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.723 10.241 -6.238 1.00 0.00 N ATOM 0 H ASN A 16 3.523 11.534 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 16 3.296 9.412 -5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.870 11.725 -5.694 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.303 11.670 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.308 9.856 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.124 10.436 -5.321 1.00 0.00 H new ATOM 257 N PHE A 17 4.797 7.722 -4.036 1.00 0.00 N ATOM 258 CA PHE A 17 5.730 6.700 -3.572 1.00 0.00 C ATOM 259 C PHE A 17 6.626 6.217 -4.710 1.00 0.00 C ATOM 260 O PHE A 17 6.179 6.078 -5.849 1.00 0.00 O ATOM 261 CB PHE A 17 4.962 5.519 -2.978 1.00 0.00 C ATOM 262 CG PHE A 17 5.813 4.592 -2.158 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.456 3.514 -2.745 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.967 4.799 -0.797 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.237 2.660 -1.988 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.746 3.950 -0.036 1.00 0.00 C ATOM 267 CZ PHE A 17 7.383 2.879 -0.632 1.00 0.00 C ATOM 0 H PHE A 17 3.937 7.353 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 17 6.362 7.143 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.153 5.900 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.501 4.953 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.346 3.339 -3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.472 5.635 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.732 1.823 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.857 4.123 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.994 2.214 -0.039 1.00 0.00 H new ATOM 277 N GLN A 18 7.892 5.961 -4.389 1.00 0.00 N ATOM 278 CA GLN A 18 8.856 5.486 -5.379 1.00 0.00 C ATOM 279 C GLN A 18 9.305 4.065 -5.057 1.00 0.00 C ATOM 280 O GLN A 18 9.539 3.725 -3.897 1.00 0.00 O ATOM 281 CB GLN A 18 10.067 6.422 -5.433 1.00 0.00 C ATOM 282 CG GLN A 18 11.152 5.975 -6.404 1.00 0.00 C ATOM 283 CD GLN A 18 10.745 6.128 -7.858 1.00 0.00 C ATOM 284 OE1 GLN A 18 9.567 6.024 -8.203 1.00 0.00 O ATOM 285 NE2 GLN A 18 11.722 6.376 -8.721 1.00 0.00 N ATOM 0 H GLN A 18 8.275 6.075 -3.450 1.00 0.00 H new ATOM 0 HA GLN A 18 8.370 5.481 -6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.730 7.420 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.497 6.501 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.056 6.556 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.399 4.931 -6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.685 6.454 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.510 6.488 -9.712 1.00 0.00 H new ATOM 294 N GLN A 19 9.424 3.237 -6.092 1.00 0.00 N ATOM 295 CA GLN A 19 9.843 1.850 -5.917 1.00 0.00 C ATOM 296 C GLN A 19 11.320 1.676 -6.254 1.00 0.00 C ATOM 297 O GLN A 19 11.891 2.457 -7.016 1.00 0.00 O ATOM 298 CB GLN A 19 9.001 0.925 -6.797 1.00 0.00 C ATOM 299 CG GLN A 19 9.170 1.182 -8.287 1.00 0.00 C ATOM 300 CD GLN A 19 8.438 0.168 -9.142 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.276 0.362 -9.498 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.115 -0.925 -9.474 1.00 0.00 N ATOM 0 H GLN A 19 9.236 3.502 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 19 9.693 1.586 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.269 -0.110 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.950 1.044 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.804 2.181 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.231 1.163 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.077 -1.045 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.673 -1.645 -10.046 1.00 0.00 H new ATOM 311 N THR A 20 11.932 0.645 -5.681 1.00 0.00 N ATOM 312 CA THR A 20 13.340 0.358 -5.925 1.00 0.00 C ATOM 313 C THR A 20 13.494 -0.789 -6.919 1.00 0.00 C ATOM 314 O THR A 20 14.491 -0.875 -7.636 1.00 0.00 O ATOM 315 CB THR A 20 14.074 -0.003 -4.620 1.00 0.00 C ATOM 316 OG1 THR A 20 13.452 -1.136 -4.004 1.00 0.00 O ATOM 317 CG2 THR A 20 14.069 1.173 -3.655 1.00 0.00 C ATOM 0 H THR A 20 11.474 -0.006 -5.044 1.00 0.00 H new ATOM 0 HA THR A 20 13.785 1.262 -6.341 1.00 0.00 H new ATOM 0 HB THR A 20 15.107 -0.247 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.926 -1.360 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.593 0.895 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.570 2.024 -4.116 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.040 1.443 -3.416 1.00 0.00 H new ATOM 325 N ASN A 21 12.497 -1.668 -6.952 1.00 0.00 N ATOM 326 CA ASN A 21 12.506 -2.809 -7.858 1.00 0.00 C ATOM 327 C ASN A 21 11.080 -3.248 -8.180 1.00 0.00 C ATOM 328 O ASN A 21 10.123 -2.768 -7.571 1.00 0.00 O ATOM 329 CB ASN A 21 13.288 -3.972 -7.241 1.00 0.00 C ATOM 330 CG ASN A 21 13.599 -5.066 -8.247 1.00 0.00 C ATOM 331 OD1 ASN A 21 13.651 -6.246 -7.899 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.813 -4.681 -9.500 1.00 0.00 N ATOM 0 H ASN A 21 11.670 -1.610 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 21 12.995 -2.508 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.220 -3.595 -6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.713 -4.394 -6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.030 -5.374 -10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.760 -3.692 -9.746 1.00 0.00 H new ATOM 339 N GLU A 22 10.944 -4.158 -9.139 1.00 0.00 N ATOM 340 CA GLU A 22 9.633 -4.658 -9.540 1.00 0.00 C ATOM 341 C GLU A 22 8.962 -5.412 -8.395 1.00 0.00 C ATOM 342 O GLU A 22 7.738 -5.538 -8.356 1.00 0.00 O ATOM 343 CB GLU A 22 9.761 -5.573 -10.762 1.00 0.00 C ATOM 344 CG GLU A 22 10.140 -4.840 -12.041 1.00 0.00 C ATOM 345 CD GLU A 22 11.510 -4.192 -11.964 1.00 0.00 C ATOM 346 OE1 GLU A 22 12.510 -4.885 -12.244 1.00 0.00 O ATOM 347 OE2 GLU A 22 11.580 -2.992 -11.626 1.00 0.00 O ATOM 0 H GLU A 22 11.725 -4.565 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 22 9.012 -3.801 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.511 -6.336 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.814 -6.090 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.121 -5.541 -12.875 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.393 -4.075 -12.251 1.00 0.00 H new ATOM 354 N ASP A 23 9.772 -5.910 -7.464 1.00 0.00 N ATOM 355 CA ASP A 23 9.258 -6.652 -6.316 1.00 0.00 C ATOM 356 C ASP A 23 8.337 -5.780 -5.471 1.00 0.00 C ATOM 357 O ASP A 23 7.477 -6.284 -4.749 1.00 0.00 O ATOM 358 CB ASP A 23 10.413 -7.173 -5.458 1.00 0.00 C ATOM 359 CG ASP A 23 9.933 -8.033 -4.305 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.747 -9.251 -4.510 1.00 0.00 O ATOM 361 OD2 ASP A 23 9.741 -7.488 -3.198 1.00 0.00 O ATOM 0 H ASP A 23 10.787 -5.813 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 23 8.683 -7.498 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.093 -7.753 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.981 -6.329 -5.067 1.00 0.00 H new ATOM 366 N GLU A 24 8.525 -4.467 -5.565 1.00 0.00 N ATOM 367 CA GLU A 24 7.712 -3.522 -4.810 1.00 0.00 C ATOM 368 C GLU A 24 6.569 -2.998 -5.675 1.00 0.00 C ATOM 369 O GLU A 24 6.235 -3.592 -6.700 1.00 0.00 O ATOM 370 CB GLU A 24 8.577 -2.361 -4.315 1.00 0.00 C ATOM 371 CG GLU A 24 8.118 -1.778 -2.987 1.00 0.00 C ATOM 372 CD GLU A 24 8.252 -2.761 -1.841 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.333 -2.803 -1.217 1.00 0.00 O ATOM 374 OE2 GLU A 24 7.276 -3.489 -1.566 1.00 0.00 O ATOM 0 H GLU A 24 9.234 -4.034 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 24 7.288 -4.036 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.607 -2.704 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.576 -1.572 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.703 -0.885 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.077 -1.465 -3.072 1.00 0.00 H new ATOM 381 N LEU A 25 5.971 -1.886 -5.260 1.00 0.00 N ATOM 382 CA LEU A 25 4.866 -1.294 -6.004 1.00 0.00 C ATOM 383 C LEU A 25 4.852 0.222 -5.837 1.00 0.00 C ATOM 384 O LEU A 25 4.673 0.735 -4.732 1.00 0.00 O ATOM 385 CB LEU A 25 3.536 -1.894 -5.533 1.00 0.00 C ATOM 386 CG LEU A 25 2.346 -1.689 -6.476 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.238 -2.680 -6.155 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.820 -0.265 -6.381 1.00 0.00 C ATOM 0 H LEU A 25 6.232 -1.378 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 25 5.001 -1.518 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.675 -2.964 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.287 -1.463 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 25 2.688 -1.862 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.400 -2.521 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.613 -3.696 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.905 -2.534 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.976 -0.143 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.497 -0.064 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.610 0.434 -6.656 1.00 0.00 H new ATOM 400 N SER A 26 5.047 0.934 -6.944 1.00 0.00 N ATOM 401 CA SER A 26 5.048 2.392 -6.927 1.00 0.00 C ATOM 402 C SER A 26 3.656 2.929 -7.231 1.00 0.00 C ATOM 403 O SER A 26 2.849 2.258 -7.874 1.00 0.00 O ATOM 404 CB SER A 26 6.051 2.938 -7.944 1.00 0.00 C ATOM 405 OG SER A 26 5.699 2.558 -9.263 1.00 0.00 O ATOM 0 H SER A 26 5.206 0.524 -7.864 1.00 0.00 H new ATOM 0 HA SER A 26 5.342 2.722 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.090 4.025 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.049 2.568 -7.710 1.00 0.00 H new ATOM 0 HG SER A 26 6.097 1.687 -9.470 1.00 0.00 H new ATOM 411 N PHE A 27 3.375 4.142 -6.767 1.00 0.00 N ATOM 412 CA PHE A 27 2.073 4.755 -6.989 1.00 0.00 C ATOM 413 C PHE A 27 2.109 6.251 -6.700 1.00 0.00 C ATOM 414 O PHE A 27 2.916 6.721 -5.900 1.00 0.00 O ATOM 415 CB PHE A 27 1.019 4.080 -6.109 1.00 0.00 C ATOM 416 CG PHE A 27 1.455 3.897 -4.682 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.254 4.899 -3.747 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.063 2.721 -4.276 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.653 4.732 -2.434 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.465 2.549 -2.966 1.00 0.00 C ATOM 421 CZ PHE A 27 2.258 3.555 -2.043 1.00 0.00 C ATOM 0 H PHE A 27 4.030 4.717 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 27 1.811 4.618 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.106 4.676 -6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.773 3.106 -6.533 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.780 5.822 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.225 1.929 -4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.491 5.522 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.941 1.628 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.569 3.421 -1.017 1.00 0.00 H new ATOM 431 N SER A 28 1.228 6.991 -7.362 1.00 0.00 N ATOM 432 CA SER A 28 1.141 8.435 -7.178 1.00 0.00 C ATOM 433 C SER A 28 -0.286 8.837 -6.827 1.00 0.00 C ATOM 434 O SER A 28 -1.230 8.103 -7.117 1.00 0.00 O ATOM 435 CB SER A 28 1.596 9.162 -8.444 1.00 0.00 C ATOM 436 OG SER A 28 1.517 10.567 -8.282 1.00 0.00 O ATOM 0 H SER A 28 0.561 6.613 -8.034 1.00 0.00 H new ATOM 0 HA SER A 28 1.799 8.720 -6.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.621 8.877 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.976 8.855 -9.286 1.00 0.00 H new ATOM 0 HG SER A 28 1.815 11.008 -9.105 1.00 0.00 H new ATOM 442 N LYS A 29 -0.434 9.997 -6.190 1.00 0.00 N ATOM 443 CA LYS A 29 -1.750 10.500 -5.799 1.00 0.00 C ATOM 444 C LYS A 29 -2.762 10.337 -6.932 1.00 0.00 C ATOM 445 O LYS A 29 -2.802 11.144 -7.861 1.00 0.00 O ATOM 446 CB LYS A 29 -1.656 11.972 -5.392 1.00 0.00 C ATOM 447 CG LYS A 29 -2.989 12.576 -4.981 1.00 0.00 C ATOM 448 CD LYS A 29 -2.850 14.046 -4.620 1.00 0.00 C ATOM 449 CE LYS A 29 -4.189 14.650 -4.232 1.00 0.00 C ATOM 450 NZ LYS A 29 -4.789 13.962 -3.055 1.00 0.00 N ATOM 0 H LYS A 29 0.342 10.607 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.093 9.913 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.953 12.067 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.248 12.545 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.705 12.467 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.390 12.028 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.147 14.155 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.434 14.592 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.058 15.708 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.874 14.587 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.568 14.538 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.155 13.033 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.064 13.835 -2.321 1.00 0.00 H new ATOM 464 N GLY A 30 -3.577 9.288 -6.849 1.00 0.00 N ATOM 465 CA GLY A 30 -4.577 9.043 -7.874 1.00 0.00 C ATOM 466 C GLY A 30 -4.695 7.574 -8.237 1.00 0.00 C ATOM 467 O GLY A 30 -5.802 7.052 -8.378 1.00 0.00 O ATOM 0 H GLY A 30 -3.563 8.605 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.544 9.406 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.324 9.615 -8.767 1.00 0.00 H new ATOM 471 N ASP A 31 -3.555 6.906 -8.390 1.00 0.00 N ATOM 472 CA ASP A 31 -3.536 5.490 -8.740 1.00 0.00 C ATOM 473 C ASP A 31 -4.296 4.663 -7.708 1.00 0.00 C ATOM 474 O ASP A 31 -3.968 4.678 -6.521 1.00 0.00 O ATOM 475 CB ASP A 31 -2.096 4.987 -8.849 1.00 0.00 C ATOM 476 CG ASP A 31 -1.311 5.714 -9.923 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.718 6.769 -9.615 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.289 5.228 -11.074 1.00 0.00 O ATOM 0 H ASP A 31 -2.631 7.324 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.028 5.376 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.596 5.113 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.102 3.919 -9.067 1.00 0.00 H new ATOM 483 N VAL A 32 -5.310 3.940 -8.170 1.00 0.00 N ATOM 484 CA VAL A 32 -6.121 3.106 -7.292 1.00 0.00 C ATOM 485 C VAL A 32 -5.572 1.685 -7.227 1.00 0.00 C ATOM 486 O VAL A 32 -5.393 1.032 -8.255 1.00 0.00 O ATOM 487 CB VAL A 32 -7.587 3.059 -7.760 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.449 2.317 -6.751 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.118 4.466 -7.992 1.00 0.00 C ATOM 0 H VAL A 32 -5.590 3.915 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.080 3.554 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.629 2.517 -8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.481 2.295 -7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.082 1.297 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.403 2.826 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.155 4.414 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.061 5.034 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.518 4.960 -8.757 1.00 0.00 H new ATOM 499 N ILE A 33 -5.312 1.210 -6.012 1.00 0.00 N ATOM 500 CA ILE A 33 -4.778 -0.135 -5.816 1.00 0.00 C ATOM 501 C ILE A 33 -5.791 -1.033 -5.113 1.00 0.00 C ATOM 502 O ILE A 33 -6.492 -0.601 -4.198 1.00 0.00 O ATOM 503 CB ILE A 33 -3.471 -0.104 -5.000 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.432 0.773 -5.703 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.936 -1.516 -4.799 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.176 0.999 -4.892 1.00 0.00 C ATOM 0 H ILE A 33 -5.462 1.735 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.568 -0.542 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.679 0.324 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.162 0.310 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.882 1.738 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.013 -1.476 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.675 -2.112 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.737 -1.971 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.488 1.629 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.432 1.490 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.701 0.041 -4.682 1.00 0.00 H new ATOM 518 N HIS A 34 -5.862 -2.286 -5.551 1.00 0.00 N ATOM 519 CA HIS A 34 -6.785 -3.255 -4.969 1.00 0.00 C ATOM 520 C HIS A 34 -6.111 -4.051 -3.856 1.00 0.00 C ATOM 521 O HIS A 34 -5.266 -4.906 -4.118 1.00 0.00 O ATOM 522 CB HIS A 34 -7.303 -4.205 -6.052 1.00 0.00 C ATOM 523 CG HIS A 34 -8.143 -3.530 -7.090 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.656 -3.152 -8.324 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.449 -3.171 -7.077 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.625 -2.588 -9.024 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.722 -2.588 -8.291 1.00 0.00 N ATOM 0 H HIS A 34 -5.289 -2.655 -6.310 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.625 -2.709 -4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.454 -4.684 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.888 -4.995 -5.581 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.146 -3.316 -6.264 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.534 -2.194 -10.026 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.627 -2.215 -8.579 1.00 0.00 H new ATOM 536 N VAL A 35 -6.491 -3.766 -2.614 1.00 0.00 N ATOM 537 CA VAL A 35 -5.920 -4.453 -1.460 1.00 0.00 C ATOM 538 C VAL A 35 -6.479 -5.866 -1.323 1.00 0.00 C ATOM 539 O VAL A 35 -7.694 -6.065 -1.305 1.00 0.00 O ATOM 540 CB VAL A 35 -6.189 -3.682 -0.154 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.480 -4.346 1.016 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.759 -2.230 -0.293 1.00 0.00 C ATOM 0 H VAL A 35 -7.193 -3.063 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.845 -4.505 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.261 -3.702 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.682 -3.786 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.842 -5.368 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.406 -4.360 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.957 -1.701 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.693 -2.186 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.319 -1.761 -1.102 1.00 0.00 H new ATOM 552 N THR A 36 -5.583 -6.841 -1.216 1.00 0.00 N ATOM 553 CA THR A 36 -5.982 -8.235 -1.074 1.00 0.00 C ATOM 554 C THR A 36 -5.647 -8.755 0.318 1.00 0.00 C ATOM 555 O THR A 36 -6.523 -9.224 1.045 1.00 0.00 O ATOM 556 CB THR A 36 -5.293 -9.128 -2.122 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.870 -8.997 -2.019 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.739 -8.760 -3.529 1.00 0.00 C ATOM 0 H THR A 36 -4.574 -6.691 -1.225 1.00 0.00 H new ATOM 0 HA THR A 36 -7.060 -8.276 -1.229 1.00 0.00 H new ATOM 0 HB THR A 36 -5.579 -10.162 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.440 -9.569 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.238 -9.406 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.818 -8.890 -3.614 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.481 -7.721 -3.732 1.00 0.00 H new ATOM 566 N ARG A 37 -4.371 -8.668 0.684 1.00 0.00 N ATOM 567 CA ARG A 37 -3.915 -9.124 1.992 1.00 0.00 C ATOM 568 C ARG A 37 -3.979 -7.996 3.013 1.00 0.00 C ATOM 569 O ARG A 37 -3.396 -6.931 2.813 1.00 0.00 O ATOM 570 CB ARG A 37 -2.486 -9.662 1.898 1.00 0.00 C ATOM 571 CG ARG A 37 -2.345 -10.853 0.968 1.00 0.00 C ATOM 572 CD ARG A 37 -0.924 -11.389 0.959 1.00 0.00 C ATOM 573 NE ARG A 37 -0.770 -12.510 0.038 1.00 0.00 N ATOM 574 CZ ARG A 37 0.358 -13.200 -0.107 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.429 -12.883 0.608 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.415 -14.206 -0.968 1.00 0.00 N ATOM 0 H ARG A 37 -3.634 -8.285 0.092 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.577 -9.925 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.828 -8.864 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.148 -9.947 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.030 -11.642 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.631 -10.562 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.237 -10.591 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.649 -11.706 1.965 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.574 -12.780 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.389 -12.109 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.293 -13.413 0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.407 -14.452 -1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.280 -14.734 -1.078 1.00 0.00 H new ATOM 590 N VAL A 38 -4.691 -8.236 4.110 1.00 0.00 N ATOM 591 CA VAL A 38 -4.825 -7.238 5.162 1.00 0.00 C ATOM 592 C VAL A 38 -4.122 -7.691 6.435 1.00 0.00 C ATOM 593 O VAL A 38 -4.660 -8.487 7.207 1.00 0.00 O ATOM 594 CB VAL A 38 -6.306 -6.947 5.474 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.430 -5.825 6.495 1.00 0.00 C ATOM 596 CG2 VAL A 38 -7.061 -6.603 4.199 1.00 0.00 C ATOM 0 H VAL A 38 -5.182 -9.111 4.292 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.356 -6.324 4.798 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.750 -7.845 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.483 -5.635 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.926 -6.115 7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.969 -4.920 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.105 -6.400 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.616 -5.720 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.004 -7.441 3.505 1.00 0.00 H new ATOM 606 N GLU A 39 -2.913 -7.182 6.646 1.00 0.00 N ATOM 607 CA GLU A 39 -2.129 -7.528 7.823 1.00 0.00 C ATOM 608 C GLU A 39 -2.265 -6.442 8.890 1.00 0.00 C ATOM 609 O GLU A 39 -3.285 -5.756 8.956 1.00 0.00 O ATOM 610 CB GLU A 39 -0.659 -7.719 7.436 1.00 0.00 C ATOM 611 CG GLU A 39 -0.456 -8.681 6.276 1.00 0.00 C ATOM 612 CD GLU A 39 -0.905 -10.093 6.602 1.00 0.00 C ATOM 613 OE1 GLU A 39 -0.073 -10.878 7.106 1.00 0.00 O ATOM 614 OE2 GLU A 39 -2.086 -10.414 6.353 1.00 0.00 O ATOM 0 H GLU A 39 -2.454 -6.526 6.014 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.506 -8.464 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.232 -6.751 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.108 -8.086 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.008 -8.320 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.598 -8.694 6.000 1.00 0.00 H new ATOM 621 N GLU A 40 -1.239 -6.289 9.722 1.00 0.00 N ATOM 622 CA GLU A 40 -1.261 -5.284 10.778 1.00 0.00 C ATOM 623 C GLU A 40 0.153 -4.813 11.104 1.00 0.00 C ATOM 624 O GLU A 40 0.926 -5.529 11.742 1.00 0.00 O ATOM 625 CB GLU A 40 -1.927 -5.848 12.035 1.00 0.00 C ATOM 626 CG GLU A 40 -2.030 -4.845 13.172 1.00 0.00 C ATOM 627 CD GLU A 40 -2.917 -3.665 12.829 1.00 0.00 C ATOM 628 OE1 GLU A 40 -2.398 -2.676 12.269 1.00 0.00 O ATOM 629 OE2 GLU A 40 -4.129 -3.728 13.123 1.00 0.00 O ATOM 0 H GLU A 40 -0.385 -6.846 9.685 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.839 -4.430 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.927 -6.199 11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.362 -6.715 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.422 -5.344 14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.033 -4.484 13.425 1.00 0.00 H new ATOM 636 N GLY A 41 0.482 -3.605 10.658 1.00 0.00 N ATOM 637 CA GLY A 41 1.800 -3.054 10.907 1.00 0.00 C ATOM 638 C GLY A 41 2.123 -1.892 9.990 1.00 0.00 C ATOM 639 O GLY A 41 3.045 -1.120 10.256 1.00 0.00 O ATOM 0 H GLY A 41 -0.142 -2.997 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.863 -2.723 11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.548 -3.836 10.776 1.00 0.00 H new ATOM 643 N GLY A 42 1.360 -1.766 8.906 1.00 0.00 N ATOM 644 CA GLY A 42 1.584 -0.687 7.964 1.00 0.00 C ATOM 645 C GLY A 42 2.001 -1.180 6.592 1.00 0.00 C ATOM 646 O GLY A 42 2.552 -0.419 5.797 1.00 0.00 O ATOM 0 H GLY A 42 0.592 -2.393 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.672 -0.097 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.355 -0.023 8.356 1.00 0.00 H new ATOM 650 N TRP A 43 1.752 -2.458 6.317 1.00 0.00 N ATOM 651 CA TRP A 43 2.110 -3.039 5.027 1.00 0.00 C ATOM 652 C TRP A 43 0.967 -3.855 4.433 1.00 0.00 C ATOM 653 O TRP A 43 0.507 -4.827 5.031 1.00 0.00 O ATOM 654 CB TRP A 43 3.356 -3.910 5.165 1.00 0.00 C ATOM 655 CG TRP A 43 4.629 -3.131 5.059 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.451 -2.758 6.082 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.218 -2.618 3.859 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.524 -2.055 5.591 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.404 -1.955 4.229 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.862 -2.659 2.508 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.235 -1.339 3.296 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.687 -2.047 1.583 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.862 -1.396 1.981 1.00 0.00 C ATOM 0 H TRP A 43 1.307 -3.107 6.966 1.00 0.00 H new ATOM 0 HA TRP A 43 2.318 -2.214 4.345 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.329 -4.423 6.127 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.342 -4.679 4.393 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.283 -2.983 7.125 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.286 -1.670 6.149 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.959 -3.160 2.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.141 -0.835 3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.421 -2.071 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.487 -0.929 1.234 1.00 0.00 H new ATOM 674 N TRP A 44 0.524 -3.454 3.244 1.00 0.00 N ATOM 675 CA TRP A 44 -0.555 -4.144 2.546 1.00 0.00 C ATOM 676 C TRP A 44 -0.125 -4.517 1.129 1.00 0.00 C ATOM 677 O TRP A 44 0.599 -3.766 0.475 1.00 0.00 O ATOM 678 CB TRP A 44 -1.810 -3.264 2.487 1.00 0.00 C ATOM 679 CG TRP A 44 -2.592 -3.217 3.769 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.417 -3.999 4.877 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.688 -2.343 4.067 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.329 -3.657 5.845 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.121 -2.645 5.373 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.343 -1.330 3.358 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.178 -1.972 5.981 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.392 -0.664 3.963 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.800 -0.988 5.264 1.00 0.00 C ATOM 0 H TRP A 44 0.899 -2.649 2.742 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.785 -5.054 3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.516 -2.250 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.459 -3.630 1.692 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.670 -4.773 4.976 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.404 -4.087 6.767 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.034 -1.073 2.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.495 -2.219 6.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.906 0.119 3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.623 -0.449 5.710 1.00 0.00 H new ATOM 698 N GLU A 45 -0.569 -5.680 0.664 1.00 0.00 N ATOM 699 CA GLU A 45 -0.235 -6.146 -0.679 1.00 0.00 C ATOM 700 C GLU A 45 -1.437 -6.014 -1.610 1.00 0.00 C ATOM 701 O GLU A 45 -2.558 -6.371 -1.246 1.00 0.00 O ATOM 702 CB GLU A 45 0.233 -7.603 -0.636 1.00 0.00 C ATOM 703 CG GLU A 45 0.641 -8.154 -1.993 1.00 0.00 C ATOM 704 CD GLU A 45 1.068 -9.608 -1.927 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.186 -10.489 -2.000 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.284 -9.864 -1.805 1.00 0.00 O ATOM 0 H GLU A 45 -1.161 -6.318 1.196 1.00 0.00 H new ATOM 0 HA GLU A 45 0.574 -5.525 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.078 -7.684 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.567 -8.221 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.194 -8.055 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.460 -7.556 -2.393 1.00 0.00 H new ATOM 713 N GLY A 46 -1.198 -5.500 -2.814 1.00 0.00 N ATOM 714 CA GLY A 46 -2.274 -5.327 -3.773 1.00 0.00 C ATOM 715 C GLY A 46 -1.809 -5.473 -5.210 1.00 0.00 C ATOM 716 O GLY A 46 -0.697 -5.934 -5.465 1.00 0.00 O ATOM 0 H GLY A 46 -0.279 -5.201 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.055 -6.060 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.720 -4.341 -3.638 1.00 0.00 H new ATOM 720 N THR A 47 -2.665 -5.079 -6.148 1.00 0.00 N ATOM 721 CA THR A 47 -2.343 -5.166 -7.567 1.00 0.00 C ATOM 722 C THR A 47 -2.664 -3.858 -8.286 1.00 0.00 C ATOM 723 O THR A 47 -3.609 -3.157 -7.925 1.00 0.00 O ATOM 724 CB THR A 47 -3.109 -6.321 -8.242 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.796 -7.560 -7.595 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.763 -6.418 -9.721 1.00 0.00 C ATOM 0 H THR A 47 -3.589 -4.696 -5.949 1.00 0.00 H new ATOM 0 HA THR A 47 -1.273 -5.359 -7.642 1.00 0.00 H new ATOM 0 HB THR A 47 -4.176 -6.118 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.288 -8.289 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.318 -7.241 -10.171 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.029 -5.486 -10.219 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.694 -6.597 -9.834 1.00 0.00 H new ATOM 734 N LEU A 48 -1.870 -3.539 -9.303 1.00 0.00 N ATOM 735 CA LEU A 48 -2.064 -2.317 -10.076 1.00 0.00 C ATOM 736 C LEU A 48 -1.596 -2.513 -11.517 1.00 0.00 C ATOM 737 O LEU A 48 -0.862 -3.454 -11.817 1.00 0.00 O ATOM 738 CB LEU A 48 -1.311 -1.150 -9.425 1.00 0.00 C ATOM 739 CG LEU A 48 -1.506 0.216 -10.093 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.978 0.599 -10.118 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.692 1.280 -9.374 1.00 0.00 C ATOM 0 H LEU A 48 -1.084 -4.111 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.128 -2.082 -10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.625 -1.074 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.247 -1.384 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.154 0.146 -11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.093 1.572 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.539 -0.149 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.358 0.649 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.842 2.244 -9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.015 1.345 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.365 1.016 -9.410 1.00 0.00 H new ATOM 753 N ASN A 49 -2.037 -1.625 -12.405 1.00 0.00 N ATOM 754 CA ASN A 49 -1.669 -1.699 -13.817 1.00 0.00 C ATOM 755 C ASN A 49 -0.154 -1.715 -13.997 1.00 0.00 C ATOM 756 O ASN A 49 0.512 -0.693 -13.826 1.00 0.00 O ATOM 757 CB ASN A 49 -2.267 -0.517 -14.582 1.00 0.00 C ATOM 758 CG ASN A 49 -3.769 -0.411 -14.405 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.456 -1.416 -14.218 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.287 0.810 -14.463 1.00 0.00 N ATOM 0 H ASN A 49 -2.651 -0.845 -12.171 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.070 -2.631 -14.216 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.798 0.406 -14.242 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.036 -0.620 -15.642 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.292 0.944 -14.351 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.680 1.615 -14.620 1.00 0.00 H new ATOM 767 N GLY A 50 0.383 -2.881 -14.345 1.00 0.00 N ATOM 768 CA GLY A 50 1.814 -3.014 -14.554 1.00 0.00 C ATOM 769 C GLY A 50 2.617 -2.859 -13.276 1.00 0.00 C ATOM 770 O GLY A 50 3.847 -2.825 -13.311 1.00 0.00 O ATOM 0 H GLY A 50 -0.150 -3.739 -14.486 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.022 -3.990 -14.991 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.141 -2.265 -15.275 1.00 0.00 H new ATOM 774 N ARG A 51 1.923 -2.763 -12.148 1.00 0.00 N ATOM 775 CA ARG A 51 2.583 -2.609 -10.855 1.00 0.00 C ATOM 776 C ARG A 51 1.979 -3.548 -9.814 1.00 0.00 C ATOM 777 O ARG A 51 0.801 -3.442 -9.480 1.00 0.00 O ATOM 778 CB ARG A 51 2.471 -1.160 -10.379 1.00 0.00 C ATOM 779 CG ARG A 51 3.229 -0.174 -11.255 1.00 0.00 C ATOM 780 CD ARG A 51 2.868 1.263 -10.919 1.00 0.00 C ATOM 781 NE ARG A 51 3.648 2.220 -11.700 1.00 0.00 N ATOM 782 CZ ARG A 51 3.305 3.496 -11.861 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.195 3.964 -11.305 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.072 4.304 -12.579 1.00 0.00 N ATOM 0 H ARG A 51 0.904 -2.789 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 51 3.635 -2.868 -10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.419 -0.875 -10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.847 -1.091 -9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.301 -0.320 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.005 -0.371 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.806 1.423 -11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.036 1.440 -9.857 1.00 0.00 H new ATOM 0 HE ARG A 51 4.504 1.892 -12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.602 3.345 -10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.935 4.942 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.926 3.948 -13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.808 5.282 -12.702 1.00 0.00 H new ATOM 798 N THR A 52 2.796 -4.467 -9.306 1.00 0.00 N ATOM 799 CA THR A 52 2.340 -5.422 -8.301 1.00 0.00 C ATOM 800 C THR A 52 3.387 -5.606 -7.208 1.00 0.00 C ATOM 801 O THR A 52 4.563 -5.830 -7.494 1.00 0.00 O ATOM 802 CB THR A 52 2.022 -6.794 -8.928 1.00 0.00 C ATOM 803 OG1 THR A 52 1.098 -6.636 -10.010 1.00 0.00 O ATOM 804 CG2 THR A 52 1.433 -7.740 -7.891 1.00 0.00 C ATOM 0 H THR A 52 3.775 -4.570 -9.573 1.00 0.00 H new ATOM 0 HA THR A 52 1.428 -5.012 -7.866 1.00 0.00 H new ATOM 0 HB THR A 52 2.953 -7.221 -9.302 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.902 -7.512 -10.404 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.217 -8.701 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.148 -7.882 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.512 -7.315 -7.492 1.00 0.00 H new ATOM 812 N GLY A 53 2.950 -5.509 -5.957 1.00 0.00 N ATOM 813 CA GLY A 53 3.863 -5.665 -4.839 1.00 0.00 C ATOM 814 C GLY A 53 3.311 -5.087 -3.552 1.00 0.00 C ATOM 815 O GLY A 53 2.148 -4.686 -3.491 1.00 0.00 O ATOM 0 H GLY A 53 1.981 -5.325 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.078 -6.724 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.809 -5.177 -5.076 1.00 0.00 H new ATOM 819 N TRP A 54 4.149 -5.044 -2.521 1.00 0.00 N ATOM 820 CA TRP A 54 3.745 -4.517 -1.223 1.00 0.00 C ATOM 821 C TRP A 54 3.803 -2.991 -1.202 1.00 0.00 C ATOM 822 O TRP A 54 4.569 -2.378 -1.947 1.00 0.00 O ATOM 823 CB TRP A 54 4.645 -5.083 -0.123 1.00 0.00 C ATOM 824 CG TRP A 54 4.678 -6.581 -0.092 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.373 -7.404 -0.931 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.989 -7.435 0.829 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.157 -8.717 -0.590 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.311 -8.763 0.487 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.131 -7.207 1.909 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.807 -9.855 1.187 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.631 -8.293 2.603 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.971 -9.603 2.241 1.00 0.00 C ATOM 0 H TRP A 54 5.115 -5.369 -2.560 1.00 0.00 H new ATOM 0 HA TRP A 54 2.714 -4.823 -1.043 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.659 -4.708 -0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.300 -4.715 0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.001 -7.071 -1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.561 -9.526 -1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.864 -6.201 2.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.066 -10.866 0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.967 -8.129 3.439 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.566 -10.430 2.805 1.00 0.00 H new ATOM 843 N PHE A 55 2.989 -2.387 -0.341 1.00 0.00 N ATOM 844 CA PHE A 55 2.949 -0.934 -0.211 1.00 0.00 C ATOM 845 C PHE A 55 2.556 -0.526 1.210 1.00 0.00 C ATOM 846 O PHE A 55 1.780 -1.220 1.866 1.00 0.00 O ATOM 847 CB PHE A 55 1.971 -0.328 -1.221 1.00 0.00 C ATOM 848 CG PHE A 55 0.574 -0.873 -1.121 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.340 -0.320 -0.238 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.175 -1.936 -1.913 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.626 -0.818 -0.147 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.109 -2.438 -1.827 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.011 -1.879 -0.944 1.00 0.00 C ATOM 0 H PHE A 55 2.347 -2.882 0.278 1.00 0.00 H new ATOM 0 HA PHE A 55 3.948 -0.551 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.940 0.752 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.348 -0.506 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.044 0.510 0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.876 -2.378 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.329 -0.379 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.407 -3.268 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.015 -2.270 -0.876 1.00 0.00 H new ATOM 863 N PRO A 56 3.086 0.609 1.707 1.00 0.00 N ATOM 864 CA PRO A 56 2.786 1.098 3.058 1.00 0.00 C ATOM 865 C PRO A 56 1.324 1.501 3.218 1.00 0.00 C ATOM 866 O PRO A 56 0.827 2.364 2.494 1.00 0.00 O ATOM 867 CB PRO A 56 3.692 2.325 3.222 1.00 0.00 C ATOM 868 CG PRO A 56 4.697 2.231 2.123 1.00 0.00 C ATOM 869 CD PRO A 56 4.018 1.503 1.001 1.00 0.00 C ATOM 0 HA PRO A 56 2.959 0.325 3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.118 3.249 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.177 2.326 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.021 3.222 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.587 1.695 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.494 2.187 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.729 0.946 0.392 1.00 0.00 H new ATOM 877 N SER A 57 0.642 0.875 4.171 1.00 0.00 N ATOM 878 CA SER A 57 -0.762 1.172 4.429 1.00 0.00 C ATOM 879 C SER A 57 -0.916 2.550 5.066 1.00 0.00 C ATOM 880 O SER A 57 -2.016 3.102 5.118 1.00 0.00 O ATOM 881 CB SER A 57 -1.371 0.104 5.342 1.00 0.00 C ATOM 882 OG SER A 57 -2.743 0.364 5.587 1.00 0.00 O ATOM 0 H SER A 57 1.039 0.158 4.778 1.00 0.00 H new ATOM 0 HA SER A 57 -1.291 1.170 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.260 -0.878 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.828 0.077 6.287 1.00 0.00 H new ATOM 0 HG SER A 57 -3.291 -0.292 5.108 1.00 0.00 H new ATOM 888 N ASN A 58 0.195 3.101 5.548 1.00 0.00 N ATOM 889 CA ASN A 58 0.185 4.416 6.180 1.00 0.00 C ATOM 890 C ASN A 58 0.321 5.523 5.138 1.00 0.00 C ATOM 891 O ASN A 58 0.015 6.685 5.409 1.00 0.00 O ATOM 892 CB ASN A 58 1.316 4.525 7.206 1.00 0.00 C ATOM 893 CG ASN A 58 1.146 3.562 8.365 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.575 2.481 8.213 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.644 3.949 9.534 1.00 0.00 N ATOM 0 H ASN A 58 1.113 2.657 5.513 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.771 4.536 6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.269 4.330 6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.358 5.545 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.561 3.342 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.110 4.853 9.616 1.00 0.00 H new ATOM 902 N TYR A 59 0.784 5.155 3.946 1.00 0.00 N ATOM 903 CA TYR A 59 0.956 6.113 2.859 1.00 0.00 C ATOM 904 C TYR A 59 -0.272 6.130 1.955 1.00 0.00 C ATOM 905 O TYR A 59 -0.371 6.945 1.039 1.00 0.00 O ATOM 906 CB TYR A 59 2.203 5.770 2.041 1.00 0.00 C ATOM 907 CG TYR A 59 3.333 6.763 2.205 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.836 7.072 3.464 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.896 7.391 1.102 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.869 7.977 3.617 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.930 8.296 1.246 1.00 0.00 C ATOM 912 CZ TYR A 59 5.411 8.587 2.505 1.00 0.00 C ATOM 913 OH TYR A 59 6.441 9.488 2.653 1.00 0.00 O ATOM 0 H TYR A 59 1.047 4.198 3.709 1.00 0.00 H new ATOM 0 HA TYR A 59 1.079 7.104 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.556 4.781 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.931 5.714 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.412 6.597 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.519 7.168 0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.250 8.205 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.359 8.773 0.377 1.00 0.00 H new ATOM 0 HH TYR A 59 6.709 9.826 1.773 1.00 0.00 H new ATOM 923 N VAL A 60 -1.203 5.218 2.219 1.00 0.00 N ATOM 924 CA VAL A 60 -2.428 5.123 1.436 1.00 0.00 C ATOM 925 C VAL A 60 -3.660 5.215 2.334 1.00 0.00 C ATOM 926 O VAL A 60 -3.579 4.977 3.539 1.00 0.00 O ATOM 927 CB VAL A 60 -2.476 3.806 0.635 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.466 3.833 -0.502 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.223 2.613 1.546 1.00 0.00 C ATOM 0 H VAL A 60 -1.131 4.533 2.971 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.431 5.961 0.739 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.473 3.704 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.515 2.895 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.695 4.662 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.463 3.962 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.261 1.694 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.240 2.709 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.986 2.580 2.323 1.00 0.00 H new ATOM 939 N ARG A 61 -4.800 5.562 1.740 1.00 0.00 N ATOM 940 CA ARG A 61 -6.047 5.686 2.491 1.00 0.00 C ATOM 941 C ARG A 61 -7.173 4.917 1.807 1.00 0.00 C ATOM 942 O ARG A 61 -7.385 5.047 0.603 1.00 0.00 O ATOM 943 CB ARG A 61 -6.435 7.159 2.643 1.00 0.00 C ATOM 944 CG ARG A 61 -6.632 7.882 1.319 1.00 0.00 C ATOM 945 CD ARG A 61 -7.001 9.341 1.531 1.00 0.00 C ATOM 946 NE ARG A 61 -7.273 10.027 0.270 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.641 11.302 0.187 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.775 12.033 1.286 1.00 0.00 N ATOM 949 NH2 ARG A 61 -7.876 11.850 -0.998 1.00 0.00 N ATOM 0 H ARG A 61 -4.886 5.762 0.743 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.889 5.258 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.356 7.225 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.661 7.672 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.718 7.819 0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.416 7.387 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.879 9.403 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.189 9.848 2.051 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.175 9.498 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.595 11.617 2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.058 13.011 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.774 11.293 -1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.158 12.828 -1.061 1.00 0.00 H new ATOM 963 N GLU A 62 -7.889 4.113 2.590 1.00 0.00 N ATOM 964 CA GLU A 62 -8.994 3.313 2.067 1.00 0.00 C ATOM 965 C GLU A 62 -10.009 4.184 1.332 1.00 0.00 C ATOM 966 O GLU A 62 -10.676 5.023 1.939 1.00 0.00 O ATOM 967 CB GLU A 62 -9.684 2.556 3.202 1.00 0.00 C ATOM 968 CG GLU A 62 -10.784 1.619 2.727 1.00 0.00 C ATOM 969 CD GLU A 62 -11.478 0.908 3.871 1.00 0.00 C ATOM 970 OE1 GLU A 62 -10.930 -0.100 4.364 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.572 1.358 4.274 1.00 0.00 O ATOM 0 H GLU A 62 -7.723 3.998 3.590 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.580 2.597 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.938 1.980 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.108 3.275 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.520 2.187 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.358 0.879 2.049 1.00 0.00 H new ATOM 978 N VAL A 63 -10.122 3.975 0.024 1.00 0.00 N ATOM 979 CA VAL A 63 -11.059 4.735 -0.794 1.00 0.00 C ATOM 980 C VAL A 63 -12.310 3.914 -1.091 1.00 0.00 C ATOM 981 O VAL A 63 -12.228 2.703 -1.291 1.00 0.00 O ATOM 982 CB VAL A 63 -10.411 5.180 -2.121 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.007 3.975 -2.957 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.350 6.087 -2.899 1.00 0.00 C ATOM 0 H VAL A 63 -9.576 3.285 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.339 5.622 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.509 5.745 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.552 4.314 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.290 3.371 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.889 3.376 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.874 6.390 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.273 5.551 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.577 6.972 -2.304 1.00 0.00 H new ATOM 994 N LYS A 64 -13.464 4.585 -1.096 1.00 0.00 N ATOM 995 CA LYS A 64 -14.752 3.939 -1.363 1.00 0.00 C ATOM 996 C LYS A 64 -14.876 2.613 -0.617 1.00 0.00 C ATOM 997 O LYS A 64 -15.484 1.664 -1.114 1.00 0.00 O ATOM 998 CB LYS A 64 -14.967 3.734 -2.870 1.00 0.00 C ATOM 999 CG LYS A 64 -13.984 2.774 -3.523 1.00 0.00 C ATOM 1000 CD LYS A 64 -14.327 2.532 -4.986 1.00 0.00 C ATOM 1001 CE LYS A 64 -15.607 1.724 -5.134 1.00 0.00 C ATOM 1002 NZ LYS A 64 -16.000 1.559 -6.560 1.00 0.00 N ATOM 0 H LYS A 64 -13.533 5.587 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.532 4.605 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.979 3.364 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.897 4.701 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.975 3.178 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.989 1.826 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.438 3.488 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.505 2.005 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.471 0.743 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.413 2.218 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.877 1.003 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.155 2.494 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.243 1.065 -7.074 1.00 0.00 H new ATOM 1016 N ALA A 65 -14.307 2.565 0.584 1.00 0.00 N ATOM 1017 CA ALA A 65 -14.345 1.363 1.411 1.00 0.00 C ATOM 1018 C ALA A 65 -13.802 0.153 0.656 1.00 0.00 C ATOM 1019 O ALA A 65 -14.608 -0.562 0.024 1.00 0.00 O ATOM 1020 CB ALA A 65 -15.763 1.097 1.893 1.00 0.00 C ATOM 1021 OXT ALA A 65 -12.574 -0.071 0.704 1.00 0.00 O ATOM 0 H ALA A 65 -13.812 3.349 1.008 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.705 1.531 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.775 0.197 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.112 1.945 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.419 0.958 1.034 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -0.446 20.914 3.311 1.00 0.00 N ATOM 1029 CA ASP B 183 0.692 20.833 2.360 1.00 0.00 C ATOM 1030 C ASP B 183 1.861 20.073 2.974 1.00 0.00 C ATOM 1031 O ASP B 183 2.604 19.385 2.274 1.00 0.00 O ATOM 1032 CB ASP B 183 1.142 22.239 1.956 1.00 0.00 C ATOM 1033 CG ASP B 183 0.022 23.044 1.325 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -0.720 23.716 2.073 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -0.115 23.001 0.085 1.00 0.00 O ATOM 0 HA ASP B 183 0.357 20.294 1.474 1.00 0.00 H new ATOM 0 HB2 ASP B 183 1.514 22.765 2.835 1.00 0.00 H new ATOM 0 HB3 ASP B 183 1.973 22.164 1.254 1.00 0.00 H new ATOM 1042 N ALA B 184 2.017 20.199 4.288 1.00 0.00 N ATOM 1043 CA ALA B 184 3.096 19.522 4.997 1.00 0.00 C ATOM 1044 C ALA B 184 2.740 18.064 5.268 1.00 0.00 C ATOM 1045 O ALA B 184 1.573 17.727 5.474 1.00 0.00 O ATOM 1046 CB ALA B 184 3.408 20.242 6.300 1.00 0.00 C ATOM 0 H ALA B 184 1.410 20.763 4.883 1.00 0.00 H new ATOM 0 HA ALA B 184 3.983 19.543 4.364 1.00 0.00 H new ATOM 0 HB1 ALA B 184 4.216 19.724 6.817 1.00 0.00 H new ATOM 0 HB2 ALA B 184 3.712 21.266 6.086 1.00 0.00 H new ATOM 0 HB3 ALA B 184 2.520 20.252 6.932 1.00 0.00 H new ATOM 1052 N THR B 185 3.752 17.202 5.264 1.00 0.00 N ATOM 1053 CA THR B 185 3.545 15.780 5.503 1.00 0.00 C ATOM 1054 C THR B 185 3.314 15.498 6.989 1.00 0.00 C ATOM 1055 O THR B 185 3.932 16.127 7.848 1.00 0.00 O ATOM 1056 CB THR B 185 4.752 14.956 5.017 1.00 0.00 C ATOM 1057 OG1 THR B 185 5.898 15.240 5.828 1.00 0.00 O ATOM 1058 CG2 THR B 185 5.066 15.268 3.561 1.00 0.00 C ATOM 0 H THR B 185 4.723 17.465 5.098 1.00 0.00 H new ATOM 0 HA THR B 185 2.659 15.486 4.941 1.00 0.00 H new ATOM 0 HB THR B 185 4.501 13.899 5.102 1.00 0.00 H new ATOM 0 HG1 THR B 185 6.661 14.711 5.514 1.00 0.00 H new ATOM 0 HG21 THR B 185 5.922 14.675 3.238 1.00 0.00 H new ATOM 0 HG22 THR B 185 4.202 15.025 2.942 1.00 0.00 H new ATOM 0 HG23 THR B 185 5.299 16.328 3.458 1.00 0.00 H new ATOM 1066 N PRO B 186 2.416 14.546 7.313 1.00 0.00 N ATOM 1067 CA PRO B 186 2.110 14.191 8.703 1.00 0.00 C ATOM 1068 C PRO B 186 3.197 13.323 9.337 1.00 0.00 C ATOM 1069 O PRO B 186 3.914 12.608 8.636 1.00 0.00 O ATOM 1070 CB PRO B 186 0.806 13.406 8.577 1.00 0.00 C ATOM 1071 CG PRO B 186 0.888 12.769 7.234 1.00 0.00 C ATOM 1072 CD PRO B 186 1.625 13.745 6.356 1.00 0.00 C ATOM 0 HA PRO B 186 2.041 15.068 9.346 1.00 0.00 H new ATOM 0 HB2 PRO B 186 0.713 12.660 9.366 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -0.062 14.061 8.654 1.00 0.00 H new ATOM 0 HG2 PRO B 186 1.415 11.816 7.286 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -0.107 12.563 6.839 1.00 0.00 H new ATOM 0 HD2 PRO B 186 2.265 13.233 5.637 1.00 0.00 H new ATOM 0 HD3 PRO B 186 0.937 14.368 5.784 1.00 0.00 H new ATOM 1080 N PRO B 187 3.336 13.375 10.678 1.00 0.00 N ATOM 1081 CA PRO B 187 4.341 12.588 11.404 1.00 0.00 C ATOM 1082 C PRO B 187 4.348 11.099 11.023 1.00 0.00 C ATOM 1083 O PRO B 187 5.414 10.541 10.762 1.00 0.00 O ATOM 1084 CB PRO B 187 3.950 12.776 12.872 1.00 0.00 C ATOM 1085 CG PRO B 187 3.255 14.091 12.908 1.00 0.00 C ATOM 1086 CD PRO B 187 2.532 14.215 11.594 1.00 0.00 C ATOM 0 HA PRO B 187 5.351 12.923 11.170 1.00 0.00 H new ATOM 0 HB2 PRO B 187 3.298 11.973 13.215 1.00 0.00 H new ATOM 0 HB3 PRO B 187 4.827 12.773 13.520 1.00 0.00 H new ATOM 0 HG2 PRO B 187 2.557 14.140 13.744 1.00 0.00 H new ATOM 0 HG3 PRO B 187 3.968 14.905 13.040 1.00 0.00 H new ATOM 0 HD2 PRO B 187 1.504 13.860 11.666 1.00 0.00 H new ATOM 0 HD3 PRO B 187 2.489 15.250 11.256 1.00 0.00 H new ATOM 1094 N PRO B 188 3.174 10.424 10.980 1.00 0.00 N ATOM 1095 CA PRO B 188 3.112 9.000 10.626 1.00 0.00 C ATOM 1096 C PRO B 188 3.443 8.750 9.159 1.00 0.00 C ATOM 1097 O PRO B 188 2.653 9.067 8.270 1.00 0.00 O ATOM 1098 CB PRO B 188 1.662 8.615 10.921 1.00 0.00 C ATOM 1099 CG PRO B 188 0.900 9.888 10.799 1.00 0.00 C ATOM 1100 CD PRO B 188 1.832 10.973 11.263 1.00 0.00 C ATOM 0 HA PRO B 188 3.841 8.414 11.185 1.00 0.00 H new ATOM 0 HB2 PRO B 188 1.300 7.867 10.215 1.00 0.00 H new ATOM 0 HB3 PRO B 188 1.561 8.187 11.918 1.00 0.00 H new ATOM 0 HG2 PRO B 188 0.585 10.058 9.769 1.00 0.00 H new ATOM 0 HG3 PRO B 188 -0.003 9.862 11.408 1.00 0.00 H new ATOM 0 HD2 PRO B 188 1.659 11.906 10.727 1.00 0.00 H new ATOM 0 HD3 PRO B 188 1.702 11.186 12.324 1.00 0.00 H new ATOM 1108 N VAL B 189 4.619 8.180 8.916 1.00 0.00 N ATOM 1109 CA VAL B 189 5.066 7.883 7.563 1.00 0.00 C ATOM 1110 C VAL B 189 5.193 6.374 7.349 1.00 0.00 C ATOM 1111 O VAL B 189 4.557 5.588 8.051 1.00 0.00 O ATOM 1112 CB VAL B 189 6.417 8.563 7.272 1.00 0.00 C ATOM 1113 CG1 VAL B 189 6.294 10.072 7.409 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.500 8.023 8.196 1.00 0.00 C ATOM 0 H VAL B 189 5.282 7.914 9.644 1.00 0.00 H new ATOM 0 HA VAL B 189 4.317 8.274 6.874 1.00 0.00 H new ATOM 0 HB VAL B 189 6.703 8.335 6.245 1.00 0.00 H new ATOM 0 HG11 VAL B 189 7.258 10.536 7.200 1.00 0.00 H new ATOM 0 HG12 VAL B 189 5.552 10.442 6.702 1.00 0.00 H new ATOM 0 HG13 VAL B 189 5.984 10.321 8.424 1.00 0.00 H new ATOM 0 HG21 VAL B 189 8.446 8.516 7.974 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.224 8.217 9.232 1.00 0.00 H new ATOM 0 HG23 VAL B 189 7.606 6.949 8.044 1.00 0.00 H new ATOM 1124 N ILE B 190 6.010 5.978 6.372 1.00 0.00 N ATOM 1125 CA ILE B 190 6.220 4.565 6.067 1.00 0.00 C ATOM 1126 C ILE B 190 6.521 3.764 7.331 1.00 0.00 C ATOM 1127 O ILE B 190 7.368 4.151 8.135 1.00 0.00 O ATOM 1128 CB ILE B 190 7.380 4.374 5.070 1.00 0.00 C ATOM 1129 CG1 ILE B 190 7.203 5.297 3.861 1.00 0.00 C ATOM 1130 CG2 ILE B 190 7.462 2.919 4.628 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.387 5.292 2.917 1.00 0.00 C ATOM 0 H ILE B 190 6.537 6.618 5.778 1.00 0.00 H new ATOM 0 HA ILE B 190 5.296 4.200 5.620 1.00 0.00 H new ATOM 0 HB ILE B 190 8.314 4.636 5.567 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.310 4.997 3.313 1.00 0.00 H new ATOM 0 HG13 ILE B 190 7.034 6.315 4.213 1.00 0.00 H new ATOM 0 HG21 ILE B 190 8.285 2.798 3.924 1.00 0.00 H new ATOM 0 HG22 ILE B 190 7.632 2.284 5.497 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.528 2.632 4.146 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.191 5.968 2.085 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.279 5.621 3.450 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.544 4.283 2.536 1.00 0.00 H new ATOM 1143 N ALA B 191 5.823 2.645 7.496 1.00 0.00 N ATOM 1144 CA ALA B 191 6.013 1.786 8.658 1.00 0.00 C ATOM 1145 C ALA B 191 6.774 0.517 8.282 1.00 0.00 C ATOM 1146 O ALA B 191 6.772 0.111 7.120 1.00 0.00 O ATOM 1147 CB ALA B 191 4.669 1.428 9.272 1.00 0.00 C ATOM 0 H ALA B 191 5.119 2.312 6.837 1.00 0.00 H new ATOM 0 HA ALA B 191 6.605 2.333 9.392 1.00 0.00 H new ATOM 0 HB1 ALA B 191 4.825 0.786 10.139 1.00 0.00 H new ATOM 0 HB2 ALA B 191 4.156 2.339 9.582 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.061 0.902 8.536 1.00 0.00 H new ATOM 1153 N PRO B 192 7.440 -0.128 9.260 1.00 0.00 N ATOM 1154 CA PRO B 192 8.197 -1.360 9.018 1.00 0.00 C ATOM 1155 C PRO B 192 7.288 -2.574 8.867 1.00 0.00 C ATOM 1156 O PRO B 192 6.087 -2.495 9.125 1.00 0.00 O ATOM 1157 CB PRO B 192 9.052 -1.491 10.275 1.00 0.00 C ATOM 1158 CG PRO B 192 8.233 -0.850 11.340 1.00 0.00 C ATOM 1159 CD PRO B 192 7.512 0.291 10.674 1.00 0.00 C ATOM 0 HA PRO B 192 8.771 -1.316 8.093 1.00 0.00 H new ATOM 0 HB2 PRO B 192 9.262 -2.535 10.507 1.00 0.00 H new ATOM 0 HB3 PRO B 192 10.014 -0.992 10.157 1.00 0.00 H new ATOM 0 HG2 PRO B 192 7.527 -1.560 11.771 1.00 0.00 H new ATOM 0 HG3 PRO B 192 8.862 -0.492 12.155 1.00 0.00 H new ATOM 0 HD2 PRO B 192 6.520 0.442 11.099 1.00 0.00 H new ATOM 0 HD3 PRO B 192 8.054 1.230 10.788 1.00 0.00 H new ATOM 1167 N ARG B 193 7.868 -3.697 8.455 1.00 0.00 N ATOM 1168 CA ARG B 193 7.103 -4.926 8.275 1.00 0.00 C ATOM 1169 C ARG B 193 6.852 -5.630 9.614 1.00 0.00 C ATOM 1170 O ARG B 193 5.713 -5.980 9.920 1.00 0.00 O ATOM 1171 CB ARG B 193 7.817 -5.869 7.299 1.00 0.00 C ATOM 1172 CG ARG B 193 7.090 -7.188 7.083 1.00 0.00 C ATOM 1173 CD ARG B 193 7.813 -8.059 6.071 1.00 0.00 C ATOM 1174 NE ARG B 193 7.149 -9.347 5.884 1.00 0.00 N ATOM 1175 CZ ARG B 193 7.637 -10.324 5.126 1.00 0.00 C ATOM 1176 NH1 ARG B 193 8.789 -10.163 4.488 1.00 0.00 N ATOM 1177 NH2 ARG B 193 6.974 -11.465 5.005 1.00 0.00 N ATOM 0 H ARG B 193 8.862 -3.781 8.240 1.00 0.00 H new ATOM 0 HA ARG B 193 6.135 -4.655 7.853 1.00 0.00 H new ATOM 0 HB2 ARG B 193 7.932 -5.366 6.339 1.00 0.00 H new ATOM 0 HB3 ARG B 193 8.820 -6.074 7.673 1.00 0.00 H new ATOM 0 HG2 ARG B 193 7.009 -7.720 8.031 1.00 0.00 H new ATOM 0 HG3 ARG B 193 6.074 -6.993 6.738 1.00 0.00 H new ATOM 0 HD2 ARG B 193 7.867 -7.537 5.116 1.00 0.00 H new ATOM 0 HD3 ARG B 193 8.838 -8.224 6.402 1.00 0.00 H new ATOM 0 HE ARG B 193 6.262 -9.505 6.362 1.00 0.00 H new ATOM 0 HH11 ARG B 193 9.304 -9.287 4.578 1.00 0.00 H new ATOM 0 HH12 ARG B 193 9.160 -10.915 3.907 1.00 0.00 H new ATOM 0 HH21 ARG B 193 6.088 -11.594 5.494 1.00 0.00 H new ATOM 0 HH22 ARG B 193 7.350 -12.214 4.423 1.00 0.00 H new ATOM 1191 N PRO B 194 7.903 -5.850 10.435 1.00 0.00 N ATOM 1192 CA PRO B 194 7.754 -6.508 11.728 1.00 0.00 C ATOM 1193 C PRO B 194 7.392 -5.529 12.844 1.00 0.00 C ATOM 1194 O PRO B 194 6.246 -5.482 13.291 1.00 0.00 O ATOM 1195 CB PRO B 194 9.135 -7.117 11.962 1.00 0.00 C ATOM 1196 CG PRO B 194 10.090 -6.216 11.246 1.00 0.00 C ATOM 1197 CD PRO B 194 9.309 -5.484 10.177 1.00 0.00 C ATOM 0 HA PRO B 194 6.944 -7.238 11.731 1.00 0.00 H new ATOM 0 HB2 PRO B 194 9.366 -7.170 13.026 1.00 0.00 H new ATOM 0 HB3 PRO B 194 9.187 -8.134 11.574 1.00 0.00 H new ATOM 0 HG2 PRO B 194 10.545 -5.509 11.940 1.00 0.00 H new ATOM 0 HG3 PRO B 194 10.901 -6.793 10.801 1.00 0.00 H new ATOM 0 HD2 PRO B 194 9.458 -4.406 10.244 1.00 0.00 H new ATOM 0 HD3 PRO B 194 9.622 -5.788 9.178 1.00 0.00 H new ATOM 1205 N GLU B 195 8.374 -4.746 13.285 1.00 0.00 N ATOM 1206 CA GLU B 195 8.161 -3.765 14.344 1.00 0.00 C ATOM 1207 C GLU B 195 9.103 -2.576 14.180 1.00 0.00 C ATOM 1208 O GLU B 195 8.764 -1.449 14.543 1.00 0.00 O ATOM 1209 CB GLU B 195 8.367 -4.406 15.719 1.00 0.00 C ATOM 1210 CG GLU B 195 7.188 -5.244 16.186 1.00 0.00 C ATOM 1211 CD GLU B 195 5.931 -4.420 16.386 1.00 0.00 C ATOM 1212 OE1 GLU B 195 5.803 -3.779 17.450 1.00 0.00 O ATOM 1213 OE2 GLU B 195 5.074 -4.414 15.477 1.00 0.00 O ATOM 0 H GLU B 195 9.327 -4.773 12.923 1.00 0.00 H new ATOM 0 HA GLU B 195 7.134 -3.408 14.270 1.00 0.00 H new ATOM 0 HB2 GLU B 195 9.258 -5.034 15.688 1.00 0.00 H new ATOM 0 HB3 GLU B 195 8.556 -3.621 16.451 1.00 0.00 H new ATOM 0 HG2 GLU B 195 6.992 -6.028 15.455 1.00 0.00 H new ATOM 0 HG3 GLU B 195 7.447 -5.739 17.122 1.00 0.00 H new ATOM 1220 N HIS B 196 10.287 -2.835 13.634 1.00 0.00 N ATOM 1221 CA HIS B 196 11.279 -1.787 13.422 1.00 0.00 C ATOM 1222 C HIS B 196 12.199 -2.142 12.257 1.00 0.00 C ATOM 1223 O HIS B 196 12.482 -3.315 12.016 1.00 0.00 O ATOM 1224 CB HIS B 196 12.103 -1.571 14.692 1.00 0.00 C ATOM 1225 CG HIS B 196 13.055 -0.416 14.604 1.00 0.00 C ATOM 1226 ND1 HIS B 196 14.421 -0.554 14.744 1.00 0.00 N ATOM 1227 CD2 HIS B 196 12.832 0.902 14.394 1.00 0.00 C ATOM 1228 CE1 HIS B 196 14.994 0.631 14.624 1.00 0.00 C ATOM 1229 NE2 HIS B 196 14.052 1.531 14.411 1.00 0.00 N ATOM 0 H HIS B 196 10.583 -3.763 13.330 1.00 0.00 H new ATOM 0 HA HIS B 196 10.753 -0.864 13.180 1.00 0.00 H new ATOM 0 HB2 HIS B 196 11.426 -1.409 15.531 1.00 0.00 H new ATOM 0 HB3 HIS B 196 12.666 -2.479 14.908 1.00 0.00 H new ATOM 0 HD2 HIS B 196 11.872 1.372 14.241 1.00 0.00 H new ATOM 0 HE1 HIS B 196 16.054 0.829 14.689 1.00 0.00 H new ATOM 0 HE2 HIS B 196 14.206 2.531 14.280 1.00 0.00 H new ATOM 1238 N THR B 197 12.659 -1.118 11.541 1.00 0.00 N ATOM 1239 CA THR B 197 13.546 -1.312 10.398 1.00 0.00 C ATOM 1240 C THR B 197 12.856 -2.109 9.294 1.00 0.00 C ATOM 1241 O THR B 197 12.672 -3.321 9.410 1.00 0.00 O ATOM 1242 CB THR B 197 14.848 -2.031 10.803 1.00 0.00 C ATOM 1243 OG1 THR B 197 15.486 -1.324 11.873 1.00 0.00 O ATOM 1244 CG2 THR B 197 15.801 -2.136 9.622 1.00 0.00 C ATOM 0 H THR B 197 12.431 -0.143 11.734 1.00 0.00 H new ATOM 0 HA THR B 197 13.796 -0.319 10.024 1.00 0.00 H new ATOM 0 HB THR B 197 14.591 -3.038 11.133 1.00 0.00 H new ATOM 0 HG1 THR B 197 14.901 -1.323 12.659 1.00 0.00 H new ATOM 0 HG21 THR B 197 16.712 -2.647 9.934 1.00 0.00 H new ATOM 0 HG22 THR B 197 15.325 -2.700 8.820 1.00 0.00 H new ATOM 0 HG23 THR B 197 16.050 -1.137 9.265 1.00 0.00 H new ATOM 1252 N LYS B 198 12.476 -1.417 8.225 1.00 0.00 N ATOM 1253 CA LYS B 198 11.802 -2.052 7.097 1.00 0.00 C ATOM 1254 C LYS B 198 12.799 -2.771 6.194 1.00 0.00 C ATOM 1255 O LYS B 198 12.502 -3.834 5.648 1.00 0.00 O ATOM 1256 CB LYS B 198 11.031 -1.006 6.291 1.00 0.00 C ATOM 1257 CG LYS B 198 11.905 0.127 5.775 1.00 0.00 C ATOM 1258 CD LYS B 198 11.087 1.177 5.039 1.00 0.00 C ATOM 1259 CE LYS B 198 10.508 0.630 3.744 1.00 0.00 C ATOM 1260 NZ LYS B 198 11.572 0.274 2.765 1.00 0.00 N ATOM 0 H LYS B 198 12.624 -0.414 8.116 1.00 0.00 H new ATOM 0 HA LYS B 198 11.105 -2.791 7.492 1.00 0.00 H new ATOM 0 HB2 LYS B 198 10.547 -1.495 5.446 1.00 0.00 H new ATOM 0 HB3 LYS B 198 10.240 -0.589 6.914 1.00 0.00 H new ATOM 0 HG2 LYS B 198 12.428 0.593 6.610 1.00 0.00 H new ATOM 0 HG3 LYS B 198 12.666 -0.276 5.107 1.00 0.00 H new ATOM 0 HD2 LYS B 198 10.278 1.525 5.681 1.00 0.00 H new ATOM 0 HD3 LYS B 198 11.715 2.041 4.821 1.00 0.00 H new ATOM 0 HE2 LYS B 198 9.904 -0.252 3.960 1.00 0.00 H new ATOM 0 HE3 LYS B 198 9.842 1.372 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 11.147 0.133 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 12.271 1.043 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 12.042 -0.603 3.067 1.00 0.00 H new ATOM 1274 N SER B 199 13.982 -2.184 6.040 1.00 0.00 N ATOM 1275 CA SER B 199 15.021 -2.765 5.199 1.00 0.00 C ATOM 1276 C SER B 199 15.826 -3.814 5.959 1.00 0.00 C ATOM 1277 O SER B 199 16.488 -3.505 6.951 1.00 0.00 O ATOM 1278 CB SER B 199 15.951 -1.668 4.677 1.00 0.00 C ATOM 1279 OG SER B 199 16.565 -0.969 5.746 1.00 0.00 O ATOM 0 H SER B 199 14.244 -1.306 6.487 1.00 0.00 H new ATOM 0 HA SER B 199 14.535 -3.256 4.356 1.00 0.00 H new ATOM 0 HB2 SER B 199 16.717 -2.109 4.039 1.00 0.00 H new ATOM 0 HB3 SER B 199 15.385 -0.970 4.060 1.00 0.00 H new ATOM 0 HG SER B 199 16.690 -1.576 6.505 1.00 0.00 H new ATOM 1285 N VAL B 200 15.764 -5.053 5.486 1.00 0.00 N ATOM 1286 CA VAL B 200 16.487 -6.153 6.111 1.00 0.00 C ATOM 1287 C VAL B 200 17.165 -7.024 5.060 1.00 0.00 C ATOM 1288 O VAL B 200 16.499 -7.639 4.227 1.00 0.00 O ATOM 1289 CB VAL B 200 15.557 -7.028 6.974 1.00 0.00 C ATOM 1290 CG1 VAL B 200 15.191 -6.312 8.264 1.00 0.00 C ATOM 1291 CG2 VAL B 200 14.304 -7.409 6.199 1.00 0.00 C ATOM 0 H VAL B 200 15.218 -5.321 4.668 1.00 0.00 H new ATOM 0 HA VAL B 200 17.244 -5.709 6.757 1.00 0.00 H new ATOM 0 HB VAL B 200 16.092 -7.943 7.230 1.00 0.00 H new ATOM 0 HG11 VAL B 200 14.534 -6.947 8.859 1.00 0.00 H new ATOM 0 HG12 VAL B 200 16.097 -6.096 8.830 1.00 0.00 H new ATOM 0 HG13 VAL B 200 14.679 -5.379 8.029 1.00 0.00 H new ATOM 0 HG21 VAL B 200 13.662 -8.026 6.827 1.00 0.00 H new ATOM 0 HG22 VAL B 200 13.767 -6.506 5.908 1.00 0.00 H new ATOM 0 HG23 VAL B 200 14.584 -7.968 5.306 1.00 0.00 H new ATOM 1301 N TYR B 201 18.494 -7.064 5.103 1.00 0.00 N ATOM 1302 CA TYR B 201 19.273 -7.855 4.156 1.00 0.00 C ATOM 1303 C TYR B 201 19.025 -7.386 2.724 1.00 0.00 C ATOM 1304 O TYR B 201 17.995 -7.700 2.128 1.00 0.00 O ATOM 1305 CB TYR B 201 18.931 -9.341 4.289 1.00 0.00 C ATOM 1306 CG TYR B 201 19.117 -9.884 5.689 1.00 0.00 C ATOM 1307 CD1 TYR B 201 20.363 -10.316 6.128 1.00 0.00 C ATOM 1308 CD2 TYR B 201 18.047 -9.962 6.572 1.00 0.00 C ATOM 1309 CE1 TYR B 201 20.536 -10.812 7.406 1.00 0.00 C ATOM 1310 CE2 TYR B 201 18.212 -10.456 7.852 1.00 0.00 C ATOM 1311 CZ TYR B 201 19.458 -10.878 8.264 1.00 0.00 C ATOM 1312 OH TYR B 201 19.626 -11.371 9.538 1.00 0.00 O ATOM 0 H TYR B 201 19.055 -6.556 5.786 1.00 0.00 H new ATOM 0 HA TYR B 201 20.329 -7.715 4.388 1.00 0.00 H new ATOM 0 HB2 TYR B 201 17.896 -9.496 3.983 1.00 0.00 H new ATOM 0 HB3 TYR B 201 19.555 -9.912 3.601 1.00 0.00 H new ATOM 0 HD1 TYR B 201 21.210 -10.263 5.459 1.00 0.00 H new ATOM 0 HD2 TYR B 201 17.070 -9.631 6.253 1.00 0.00 H new ATOM 0 HE1 TYR B 201 21.510 -11.146 7.731 1.00 0.00 H new ATOM 0 HE2 TYR B 201 17.370 -10.511 8.526 1.00 0.00 H new ATOM 0 HH TYR B 201 18.769 -11.348 10.013 1.00 0.00 H new ATOM 1322 N THR B 202 19.978 -6.626 2.184 1.00 0.00 N ATOM 1323 CA THR B 202 19.884 -6.102 0.822 1.00 0.00 C ATOM 1324 C THR B 202 18.577 -5.344 0.600 1.00 0.00 C ATOM 1325 O THR B 202 17.817 -5.102 1.537 1.00 0.00 O ATOM 1326 CB THR B 202 20.001 -7.222 -0.231 1.00 0.00 C ATOM 1327 OG1 THR B 202 18.857 -8.082 -0.174 1.00 0.00 O ATOM 1328 CG2 THR B 202 21.263 -8.040 -0.009 1.00 0.00 C ATOM 0 H THR B 202 20.831 -6.358 2.675 1.00 0.00 H new ATOM 0 HA THR B 202 20.721 -5.414 0.702 1.00 0.00 H new ATOM 0 HB THR B 202 20.051 -6.755 -1.215 1.00 0.00 H new ATOM 0 HG1 THR B 202 18.226 -7.743 0.494 1.00 0.00 H new ATOM 0 HG21 THR B 202 21.325 -8.825 -0.763 1.00 0.00 H new ATOM 0 HG22 THR B 202 22.135 -7.391 -0.087 1.00 0.00 H new ATOM 0 HG23 THR B 202 21.234 -8.491 0.983 1.00 0.00 H new ATOM 1336 N ARG B 203 18.330 -4.961 -0.650 1.00 0.00 N ATOM 1337 CA ARG B 203 17.119 -4.229 -1.002 1.00 0.00 C ATOM 1338 C ARG B 203 15.931 -5.177 -1.139 1.00 0.00 C ATOM 1339 O ARG B 203 16.065 -6.386 -0.951 1.00 0.00 O ATOM 1340 CB ARG B 203 17.326 -3.461 -2.310 1.00 0.00 C ATOM 1341 CG ARG B 203 18.416 -2.405 -2.233 1.00 0.00 C ATOM 1342 CD ARG B 203 18.045 -1.286 -1.271 1.00 0.00 C ATOM 1343 NE ARG B 203 19.036 -0.213 -1.268 1.00 0.00 N ATOM 1344 CZ ARG B 203 18.851 0.961 -0.670 1.00 0.00 C ATOM 1345 NH1 ARG B 203 17.717 1.211 -0.028 1.00 0.00 N ATOM 1346 NH2 ARG B 203 19.800 1.886 -0.715 1.00 0.00 N ATOM 0 H ARG B 203 18.954 -5.146 -1.436 1.00 0.00 H new ATOM 0 HA ARG B 203 16.906 -3.521 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG B 203 17.573 -4.169 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG B 203 16.388 -2.982 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG B 203 19.349 -2.867 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG B 203 18.591 -1.989 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG B 203 17.072 -0.879 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG B 203 17.947 -1.692 -0.264 1.00 0.00 H new ATOM 0 HE ARG B 203 19.920 -0.373 -1.752 1.00 0.00 H new ATOM 0 HH11 ARG B 203 16.984 0.502 0.008 1.00 0.00 H new ATOM 0 HH12 ARG B 203 17.578 2.112 0.430 1.00 0.00 H new ATOM 0 HH21 ARG B 203 20.673 1.698 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG B 203 19.657 2.786 -0.256 1.00 0.00 H new ATOM 1360 N SER B 204 14.771 -4.619 -1.467 1.00 0.00 N ATOM 1361 CA SER B 204 13.559 -5.412 -1.632 1.00 0.00 C ATOM 1362 C SER B 204 12.641 -4.790 -2.680 1.00 0.00 C ATOM 1363 O SER B 204 12.768 -5.157 -3.868 1.00 0.00 O ATOM 1364 CB SER B 204 12.822 -5.541 -0.297 1.00 0.00 C ATOM 1365 OG SER B 204 12.506 -4.267 0.239 1.00 0.00 O ATOM 1366 OXT SER B 204 11.804 -3.941 -2.307 1.00 0.00 O ATOM 0 H SER B 204 14.645 -3.619 -1.624 1.00 0.00 H new ATOM 0 HA SER B 204 13.848 -6.406 -1.974 1.00 0.00 H new ATOM 0 HB2 SER B 204 11.907 -6.116 -0.438 1.00 0.00 H new ATOM 0 HB3 SER B 204 13.440 -6.093 0.411 1.00 0.00 H new ATOM 0 HG SER B 204 12.146 -3.694 -0.470 1.00 0.00 H new TER 1372 SER B 204