USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 HIS : no HD1:sc= -0.709 K(o=-1.4,f=-3.4) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -111:sc= -0.682 (180deg=-0.18) USER MOD Set 2.1: A 87 THR OG1 : rot 170:sc= -0.438 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -0.0708 F(o=-5.7!,f=-0.51) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 142:sc= 0.335 (180deg=-0.0317) USER MOD Set 3.2: A 67 TYR OH : rot 30:sc= 0.318 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0341 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.101 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.161 (180deg=-0.287) USER MOD Single : A 18 THR OG1 : rot -59:sc= 0.38 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.00208 X(o=0.0021,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -6.15! C(o=-6.1!,f=-15!) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0479) USER MOD Single : A 37 SER OG : rot -77:sc= 0.0617 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -11.9! C(o=-12!,f=-16!) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc=-0.000999 (180deg=-1.65!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= -1.85 (180deg=-6.75!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 59 THR OG1 : rot -37:sc= 0.0754 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 66 HIS : no HD1:sc= 0.396 K(o=0.4,f=-4.2!) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 0.145 (180deg=0.106) USER MOD Single : A 71 SER OG : rot -103:sc= 0.867 USER MOD Single : A 74 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 150:sc= 0.0813 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.91 K(o=-1.9,f=-4.4!) USER MOD Single : A 95 TYR OH : rot 166:sc= -0.0414 USER MOD Single : A 96 SER OG : rot 93:sc= 0.434 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.169) USER MOD Single : A 103 CYS SG : rot -55:sc= -1.06 USER MOD Single : A 104 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.25 USER MOD Single : A 110 CYS SG : rot 140:sc= -0.127 USER MOD Single : A 112 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.920 -0.546 -39.423 1.00 0.00 N ATOM 2 CA GLY A 1 -16.642 -1.215 -39.641 1.00 0.00 C ATOM 3 C GLY A 1 -15.613 -0.835 -38.584 1.00 0.00 C ATOM 4 O GLY A 1 -15.955 -0.497 -37.459 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.697 -1.204 -39.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.987 -0.240 -38.431 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.988 0.283 -40.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.791 -2.295 -39.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.260 -0.956 -40.629 1.00 0.00 H new ATOM 10 N SER A 2 -14.343 -0.895 -39.023 1.00 0.00 N ATOM 11 CA SER A 2 -13.265 -0.570 -38.103 1.00 0.00 C ATOM 12 C SER A 2 -11.997 -0.253 -38.900 1.00 0.00 C ATOM 13 O SER A 2 -11.145 -1.101 -39.134 1.00 0.00 O ATOM 14 CB SER A 2 -13.039 -1.796 -37.180 1.00 0.00 C ATOM 15 OG SER A 2 -12.827 -3.101 -37.850 1.00 0.00 O ATOM 0 H SER A 2 -14.056 -1.154 -39.967 1.00 0.00 H new ATOM 0 HA SER A 2 -13.516 0.302 -37.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.174 -1.592 -36.549 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.901 -1.888 -36.519 1.00 0.00 H new ATOM 0 HG SER A 2 -12.197 -2.989 -38.592 1.00 0.00 H new ATOM 21 N VAL A 3 -11.935 1.033 -39.296 1.00 0.00 N ATOM 22 CA VAL A 3 -10.778 1.497 -40.052 1.00 0.00 C ATOM 23 C VAL A 3 -9.577 1.651 -39.112 1.00 0.00 C ATOM 24 O VAL A 3 -8.562 0.978 -39.242 1.00 0.00 O ATOM 25 CB VAL A 3 -11.098 2.823 -40.760 1.00 0.00 C ATOM 26 CG1 VAL A 3 -9.869 3.361 -41.505 1.00 0.00 C ATOM 27 CG2 VAL A 3 -12.276 2.644 -41.727 1.00 0.00 C ATOM 0 H VAL A 3 -12.648 1.738 -39.110 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.529 0.762 -40.817 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.378 3.553 -40.000 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.124 4.300 -41.997 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.059 3.531 -40.796 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.550 2.635 -42.253 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.489 3.592 -42.220 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.021 1.895 -42.477 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.156 2.317 -41.172 1.00 0.00 H new ATOM 37 N ALA A 4 -9.766 2.595 -38.166 1.00 0.00 N ATOM 38 CA ALA A 4 -8.719 2.859 -37.198 1.00 0.00 C ATOM 39 C ALA A 4 -8.704 1.727 -36.148 1.00 0.00 C ATOM 40 O ALA A 4 -9.732 1.126 -35.854 1.00 0.00 O ATOM 41 CB ALA A 4 -8.962 4.216 -36.522 1.00 0.00 C ATOM 0 H ALA A 4 -10.608 3.161 -38.065 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.752 2.894 -37.701 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.172 4.408 -35.796 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.961 5.003 -37.276 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.926 4.202 -36.013 1.00 0.00 H new ATOM 47 N PRO A 5 -7.482 1.462 -35.603 1.00 0.00 N ATOM 48 CA PRO A 5 -7.289 0.439 -34.580 1.00 0.00 C ATOM 49 C PRO A 5 -8.086 0.741 -33.302 1.00 0.00 C ATOM 50 O PRO A 5 -8.316 1.890 -32.946 1.00 0.00 O ATOM 51 CB PRO A 5 -5.783 0.433 -34.270 1.00 0.00 C ATOM 52 CG PRO A 5 -5.141 1.536 -35.116 1.00 0.00 C ATOM 53 CD PRO A 5 -6.247 2.152 -35.972 1.00 0.00 C ATOM 0 HA PRO A 5 -7.644 -0.527 -34.940 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.608 0.611 -33.209 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.346 -0.537 -34.507 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.682 2.292 -34.478 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.350 1.127 -35.745 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.330 3.223 -35.788 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.033 2.026 -37.033 1.00 0.00 H new ATOM 61 N VAL A 6 -8.518 -0.363 -32.665 1.00 0.00 N ATOM 62 CA VAL A 6 -9.276 -0.240 -31.427 1.00 0.00 C ATOM 63 C VAL A 6 -8.315 0.084 -30.263 1.00 0.00 C ATOM 64 O VAL A 6 -7.707 -0.790 -29.654 1.00 0.00 O ATOM 65 CB VAL A 6 -10.045 -1.548 -31.172 1.00 0.00 C ATOM 66 CG1 VAL A 6 -11.038 -1.828 -32.307 1.00 0.00 C ATOM 67 CG2 VAL A 6 -9.098 -2.750 -30.976 1.00 0.00 C ATOM 0 H VAL A 6 -8.357 -1.319 -32.982 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.998 0.573 -31.505 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.601 -1.415 -30.244 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.570 -2.758 -32.104 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.753 -1.008 -32.375 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.498 -1.917 -33.249 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.685 -3.651 -30.799 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.490 -2.883 -31.870 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.449 -2.566 -30.120 1.00 0.00 H new ATOM 77 N GLU A 7 -8.217 1.398 -29.992 1.00 0.00 N ATOM 78 CA GLU A 7 -7.343 1.840 -28.910 1.00 0.00 C ATOM 79 C GLU A 7 -7.913 1.443 -27.550 1.00 0.00 C ATOM 80 O GLU A 7 -9.119 1.313 -27.377 1.00 0.00 O ATOM 81 CB GLU A 7 -7.189 3.355 -28.963 1.00 0.00 C ATOM 82 CG GLU A 7 -6.224 3.783 -30.072 1.00 0.00 C ATOM 83 CD GLU A 7 -6.040 5.310 -30.060 1.00 0.00 C ATOM 84 OE1 GLU A 7 -7.039 6.028 -30.097 1.00 0.00 O ATOM 85 OE2 GLU A 7 -4.899 5.766 -30.003 1.00 0.00 O ATOM 0 H GLU A 7 -8.712 2.139 -30.488 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.373 1.360 -29.037 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.163 3.815 -29.129 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.825 3.718 -28.002 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.260 3.293 -29.934 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.608 3.464 -31.041 1.00 0.00 H new ATOM 92 N THR A 8 -6.962 1.253 -26.609 1.00 0.00 N ATOM 93 CA THR A 8 -7.358 0.845 -25.264 1.00 0.00 C ATOM 94 C THR A 8 -6.175 0.972 -24.275 1.00 0.00 C ATOM 95 O THR A 8 -5.016 0.847 -24.650 1.00 0.00 O ATOM 96 CB THR A 8 -7.932 -0.598 -25.328 1.00 0.00 C ATOM 97 OG1 THR A 8 -8.433 -1.018 -23.992 1.00 0.00 O ATOM 98 CG2 THR A 8 -6.755 -1.559 -25.642 1.00 0.00 C ATOM 0 H THR A 8 -5.960 1.372 -26.755 1.00 0.00 H new ATOM 0 HA THR A 8 -8.137 1.508 -24.887 1.00 0.00 H new ATOM 0 HB THR A 8 -8.729 -0.625 -26.071 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.793 -1.928 -24.049 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.125 -2.583 -25.694 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.307 -1.286 -26.598 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.004 -1.484 -24.855 1.00 0.00 H new ATOM 106 N LEU A 9 -6.539 1.247 -23.006 1.00 0.00 N ATOM 107 CA LEU A 9 -5.513 1.371 -21.974 1.00 0.00 C ATOM 108 C LEU A 9 -4.983 -0.024 -21.624 1.00 0.00 C ATOM 109 O LEU A 9 -5.710 -1.009 -21.671 1.00 0.00 O ATOM 110 CB LEU A 9 -6.102 2.015 -20.717 1.00 0.00 C ATOM 111 CG LEU A 9 -6.519 3.477 -20.950 1.00 0.00 C ATOM 112 CD1 LEU A 9 -8.039 3.635 -20.861 1.00 0.00 C ATOM 113 CD2 LEU A 9 -5.820 4.407 -19.951 1.00 0.00 C ATOM 0 H LEU A 9 -7.499 1.381 -22.688 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.704 1.998 -22.349 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.968 1.440 -20.389 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.368 1.973 -19.912 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.208 3.758 -21.956 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.307 4.678 -21.029 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.515 3.011 -21.618 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.379 3.328 -19.872 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.129 5.436 -20.134 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.093 4.121 -18.935 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.740 4.326 -20.073 1.00 0.00 H new ATOM 125 N GLU A 10 -3.685 -0.035 -21.271 1.00 0.00 N ATOM 126 CA GLU A 10 -3.048 -1.301 -20.933 1.00 0.00 C ATOM 127 C GLU A 10 -1.599 -1.009 -20.550 1.00 0.00 C ATOM 128 O GLU A 10 -1.067 0.037 -20.899 1.00 0.00 O ATOM 129 CB GLU A 10 -3.077 -2.256 -22.146 1.00 0.00 C ATOM 130 CG GLU A 10 -2.561 -1.602 -23.442 1.00 0.00 C ATOM 131 CD GLU A 10 -2.431 -2.649 -24.554 1.00 0.00 C ATOM 132 OE1 GLU A 10 -1.402 -3.321 -24.607 1.00 0.00 O ATOM 133 OE2 GLU A 10 -3.359 -2.783 -25.351 1.00 0.00 O ATOM 0 H GLU A 10 -3.084 0.788 -21.216 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.578 -1.776 -20.108 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.472 -3.135 -21.924 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.098 -2.604 -22.303 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.244 -0.812 -23.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.594 -1.133 -23.260 1.00 0.00 H new ATOM 140 N VAL A 11 -1.006 -1.986 -19.812 1.00 0.00 N ATOM 141 CA VAL A 11 0.397 -1.943 -19.355 1.00 0.00 C ATOM 142 C VAL A 11 0.837 -0.545 -18.863 1.00 0.00 C ATOM 143 O VAL A 11 1.930 -0.062 -19.135 1.00 0.00 O ATOM 144 CB VAL A 11 1.335 -2.410 -20.482 1.00 0.00 C ATOM 145 CG1 VAL A 11 1.076 -3.869 -20.877 1.00 0.00 C ATOM 146 CG2 VAL A 11 1.217 -1.489 -21.701 1.00 0.00 C ATOM 0 H VAL A 11 -1.499 -2.830 -19.519 1.00 0.00 H new ATOM 0 HA VAL A 11 0.463 -2.617 -18.501 1.00 0.00 H new ATOM 0 HB VAL A 11 2.354 -2.354 -20.100 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.760 -4.157 -21.675 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.235 -4.514 -20.013 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.048 -3.975 -21.224 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.888 -1.837 -22.486 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.191 -1.502 -22.069 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.488 -0.472 -21.416 1.00 0.00 H new ATOM 156 N GLU A 12 -0.097 0.058 -18.129 1.00 0.00 N ATOM 157 CA GLU A 12 0.078 1.380 -17.560 1.00 0.00 C ATOM 158 C GLU A 12 0.943 1.286 -16.328 1.00 0.00 C ATOM 159 O GLU A 12 1.284 0.212 -15.843 1.00 0.00 O ATOM 160 CB GLU A 12 -1.255 2.058 -17.249 1.00 0.00 C ATOM 161 CG GLU A 12 -1.823 2.793 -18.469 1.00 0.00 C ATOM 162 CD GLU A 12 -2.851 3.850 -18.016 1.00 0.00 C ATOM 163 OE1 GLU A 12 -3.698 3.533 -17.177 1.00 0.00 O ATOM 164 OE2 GLU A 12 -2.780 4.986 -18.487 1.00 0.00 O ATOM 0 H GLU A 12 -1.000 -0.365 -17.915 1.00 0.00 H new ATOM 0 HA GLU A 12 0.574 2.006 -18.302 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.972 1.310 -16.910 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.120 2.765 -16.430 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.016 3.272 -19.023 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.295 2.081 -19.146 1.00 0.00 H new ATOM 171 N LYS A 13 1.412 2.500 -15.994 1.00 0.00 N ATOM 172 CA LYS A 13 2.222 2.706 -14.822 1.00 0.00 C ATOM 173 C LYS A 13 1.414 2.549 -13.520 1.00 0.00 C ATOM 174 O LYS A 13 1.358 3.430 -12.675 1.00 0.00 O ATOM 175 CB LYS A 13 2.814 4.076 -14.873 1.00 0.00 C ATOM 176 CG LYS A 13 4.031 4.189 -15.723 1.00 0.00 C ATOM 177 CD LYS A 13 5.028 3.070 -15.547 1.00 0.00 C ATOM 178 CE LYS A 13 6.459 3.483 -15.887 1.00 0.00 C ATOM 179 NZ LYS A 13 6.933 2.924 -17.145 1.00 0.00 N ATOM 0 H LYS A 13 1.233 3.346 -16.534 1.00 0.00 H new ATOM 0 HA LYS A 13 3.003 1.946 -14.819 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.061 4.771 -15.244 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.064 4.389 -13.859 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.725 4.224 -16.769 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.525 5.136 -15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.993 2.719 -14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.738 2.231 -16.179 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.515 4.570 -15.936 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.123 3.166 -15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.810 3.405 -17.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.119 1.908 -17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.209 3.059 -17.879 1.00 0.00 H new ATOM 193 N TRP A 14 0.845 1.363 -13.355 1.00 0.00 N ATOM 194 CA TRP A 14 0.089 1.034 -12.152 1.00 0.00 C ATOM 195 C TRP A 14 0.356 -0.451 -11.806 1.00 0.00 C ATOM 196 O TRP A 14 0.751 -0.764 -10.690 1.00 0.00 O ATOM 197 CB TRP A 14 -1.401 1.421 -12.219 1.00 0.00 C ATOM 198 CG TRP A 14 -2.355 0.463 -12.925 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.005 0.716 -14.130 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.891 -0.791 -12.457 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.883 -0.282 -14.409 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.855 -1.240 -13.398 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.635 -1.537 -11.343 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.525 -2.426 -13.157 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.306 -2.729 -11.132 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.244 -3.171 -12.037 1.00 0.00 C ATOM 0 H TRP A 14 0.892 0.610 -14.041 1.00 0.00 H new ATOM 0 HA TRP A 14 0.442 1.652 -11.326 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.758 1.557 -11.198 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.473 2.390 -12.713 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.835 1.582 -14.753 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.476 -0.324 -15.238 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.906 -1.196 -10.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.275 -2.769 -13.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.092 -3.316 -10.251 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.760 -4.104 -11.867 1.00 0.00 H new ATOM 217 N PHE A 15 0.135 -1.340 -12.813 1.00 0.00 N ATOM 218 CA PHE A 15 0.373 -2.772 -12.611 1.00 0.00 C ATOM 219 C PHE A 15 1.833 -3.131 -12.955 1.00 0.00 C ATOM 220 O PHE A 15 2.128 -3.629 -14.034 1.00 0.00 O ATOM 221 CB PHE A 15 -0.613 -3.638 -13.429 1.00 0.00 C ATOM 222 CG PHE A 15 -0.555 -5.101 -13.038 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.666 -5.485 -11.697 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.365 -6.088 -14.012 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.567 -6.835 -11.363 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.268 -7.433 -13.668 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.369 -7.806 -12.337 1.00 0.00 C ATOM 0 H PHE A 15 -0.198 -1.087 -13.743 1.00 0.00 H new ATOM 0 HA PHE A 15 0.199 -2.990 -11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.627 -3.265 -13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.386 -3.539 -14.490 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.827 -4.743 -10.929 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.292 -5.800 -15.050 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.646 -7.132 -10.328 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.115 -8.180 -14.432 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.294 -8.847 -12.058 1.00 0.00 H new ATOM 237 N PHE A 16 2.715 -2.883 -11.968 1.00 0.00 N ATOM 238 CA PHE A 16 4.148 -3.180 -12.140 1.00 0.00 C ATOM 239 C PHE A 16 4.432 -4.526 -11.466 1.00 0.00 C ATOM 240 O PHE A 16 3.644 -5.027 -10.675 1.00 0.00 O ATOM 241 CB PHE A 16 5.006 -2.046 -11.500 1.00 0.00 C ATOM 242 CG PHE A 16 5.749 -1.148 -12.477 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.275 -0.897 -13.768 1.00 0.00 C ATOM 244 CD2 PHE A 16 6.961 -0.562 -12.093 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.001 -0.118 -14.663 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.694 0.210 -13.001 1.00 0.00 C ATOM 247 CZ PHE A 16 7.214 0.434 -14.283 1.00 0.00 C ATOM 0 H PHE A 16 2.467 -2.486 -11.062 1.00 0.00 H new ATOM 0 HA PHE A 16 4.407 -3.235 -13.197 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.353 -1.424 -10.888 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.734 -2.502 -10.829 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.328 -1.315 -14.076 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.333 -0.707 -11.089 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.618 0.057 -15.657 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.641 0.635 -12.701 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.781 1.034 -14.979 1.00 0.00 H new ATOM 257 N ARG A 17 5.620 -5.066 -11.805 1.00 0.00 N ATOM 258 CA ARG A 17 6.005 -6.360 -11.245 1.00 0.00 C ATOM 259 C ARG A 17 6.588 -6.156 -9.852 1.00 0.00 C ATOM 260 O ARG A 17 6.052 -5.391 -9.068 1.00 0.00 O ATOM 261 CB ARG A 17 7.000 -7.051 -12.186 1.00 0.00 C ATOM 262 CG ARG A 17 6.361 -7.485 -13.484 1.00 0.00 C ATOM 263 CD ARG A 17 5.092 -8.315 -13.254 1.00 0.00 C ATOM 264 NE ARG A 17 4.897 -9.295 -14.312 1.00 0.00 N ATOM 265 CZ ARG A 17 3.906 -10.210 -14.232 1.00 0.00 C ATOM 266 NH1 ARG A 17 3.091 -10.248 -13.183 1.00 0.00 N ATOM 267 NH2 ARG A 17 3.746 -11.089 -15.211 1.00 0.00 N ATOM 0 H ARG A 17 6.299 -4.642 -12.437 1.00 0.00 H new ATOM 0 HA ARG A 17 5.132 -7.006 -11.151 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.825 -6.372 -12.400 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.425 -7.921 -11.685 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.115 -6.605 -14.078 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.076 -8.070 -14.062 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.158 -8.824 -12.293 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.227 -7.653 -13.205 1.00 0.00 H new ATOM 0 HE ARG A 17 5.515 -9.291 -15.123 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.208 -9.579 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.348 -10.946 -13.139 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.369 -11.072 -16.018 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.000 -11.782 -15.157 1.00 0.00 H new ATOM 281 N THR A 18 7.652 -6.906 -9.560 1.00 0.00 N ATOM 282 CA THR A 18 8.285 -6.823 -8.277 1.00 0.00 C ATOM 283 C THR A 18 9.488 -5.870 -8.356 1.00 0.00 C ATOM 284 O THR A 18 10.647 -6.268 -8.325 1.00 0.00 O ATOM 285 CB THR A 18 8.833 -8.197 -7.778 1.00 0.00 C ATOM 286 OG1 THR A 18 9.961 -8.153 -6.831 1.00 0.00 O ATOM 287 CG2 THR A 18 8.996 -9.185 -8.979 1.00 0.00 C ATOM 0 H THR A 18 8.080 -7.571 -10.204 1.00 0.00 H new ATOM 0 HA THR A 18 7.520 -6.472 -7.584 1.00 0.00 H new ATOM 0 HB THR A 18 8.067 -8.608 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.715 -7.681 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.379 -10.139 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.028 -9.340 -9.456 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.694 -8.765 -9.703 1.00 0.00 H new ATOM 295 N ILE A 19 9.141 -4.584 -8.523 1.00 0.00 N ATOM 296 CA ILE A 19 10.188 -3.575 -8.520 1.00 0.00 C ATOM 297 C ILE A 19 10.666 -3.439 -7.081 1.00 0.00 C ATOM 298 O ILE A 19 9.995 -3.873 -6.148 1.00 0.00 O ATOM 299 CB ILE A 19 9.653 -2.227 -9.032 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.769 -1.376 -9.623 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.853 -1.419 -7.995 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.235 -0.065 -10.199 1.00 0.00 C ATOM 0 H ILE A 19 8.190 -4.239 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 19 11.004 -3.869 -9.180 1.00 0.00 H new ATOM 0 HB ILE A 19 8.942 -2.490 -9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.509 -1.160 -8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.279 -1.937 -10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.516 -0.485 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.989 -1.999 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.487 -1.201 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.061 0.514 -10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.514 -0.281 -10.988 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.748 0.508 -9.410 1.00 0.00 H new ATOM 314 N SER A 20 11.857 -2.832 -6.940 1.00 0.00 N ATOM 315 CA SER A 20 12.320 -2.653 -5.577 1.00 0.00 C ATOM 316 C SER A 20 11.355 -1.710 -4.847 1.00 0.00 C ATOM 317 O SER A 20 10.654 -0.883 -5.414 1.00 0.00 O ATOM 318 CB SER A 20 13.781 -2.113 -5.587 1.00 0.00 C ATOM 319 OG SER A 20 14.629 -2.288 -4.375 1.00 0.00 O ATOM 0 H SER A 20 12.462 -2.488 -7.686 1.00 0.00 H new ATOM 0 HA SER A 20 12.332 -3.604 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.300 -2.585 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.735 -1.046 -5.804 1.00 0.00 H new ATOM 0 HG SER A 20 15.514 -1.900 -4.537 1.00 0.00 H new ATOM 325 N ARG A 21 11.441 -1.850 -3.528 1.00 0.00 N ATOM 326 CA ARG A 21 10.573 -1.051 -2.671 1.00 0.00 C ATOM 327 C ARG A 21 10.856 0.429 -2.912 1.00 0.00 C ATOM 328 O ARG A 21 10.011 1.202 -3.338 1.00 0.00 O ATOM 329 CB ARG A 21 10.794 -1.440 -1.197 1.00 0.00 C ATOM 330 CG ARG A 21 9.536 -1.240 -0.356 1.00 0.00 C ATOM 331 CD ARG A 21 9.785 -1.559 1.118 1.00 0.00 C ATOM 332 NE ARG A 21 9.948 -2.995 1.307 1.00 0.00 N ATOM 333 CZ ARG A 21 8.884 -3.824 1.314 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.647 -3.349 1.213 1.00 0.00 N ATOM 335 NH2 ARG A 21 9.073 -5.131 1.422 1.00 0.00 N ATOM 0 H ARG A 21 12.077 -2.484 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 21 9.527 -1.243 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.105 -2.483 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.606 -0.842 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.194 -0.210 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.738 -1.878 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.677 -1.037 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.951 -1.199 1.720 1.00 0.00 H new ATOM 0 HE ARG A 21 10.884 -3.380 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.492 -2.344 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.853 -3.989 1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.019 -5.505 1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.273 -5.763 1.428 1.00 0.00 H new ATOM 349 N LYS A 22 12.134 0.751 -2.665 1.00 0.00 N ATOM 350 CA LYS A 22 12.569 2.127 -2.862 1.00 0.00 C ATOM 351 C LYS A 22 12.400 2.620 -4.297 1.00 0.00 C ATOM 352 O LYS A 22 12.458 3.815 -4.540 1.00 0.00 O ATOM 353 CB LYS A 22 14.009 2.318 -2.397 1.00 0.00 C ATOM 354 CG LYS A 22 14.971 1.286 -2.967 1.00 0.00 C ATOM 355 CD LYS A 22 15.292 1.483 -4.428 1.00 0.00 C ATOM 356 CE LYS A 22 16.782 1.361 -4.736 1.00 0.00 C ATOM 357 NZ LYS A 22 17.485 2.592 -4.388 1.00 0.00 N ATOM 0 H LYS A 22 12.853 0.103 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 22 11.910 2.739 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.346 3.314 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.041 2.271 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.899 1.315 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.544 0.293 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.744 0.747 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.942 2.466 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.206 0.525 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.923 1.143 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.497 2.487 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.093 3.383 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.367 2.784 -3.373 1.00 0.00 H new ATOM 371 N ASP A 23 12.166 1.658 -5.222 1.00 0.00 N ATOM 372 CA ASP A 23 12.053 2.023 -6.609 1.00 0.00 C ATOM 373 C ASP A 23 10.696 2.658 -6.905 1.00 0.00 C ATOM 374 O ASP A 23 10.581 3.808 -7.282 1.00 0.00 O ATOM 375 CB ASP A 23 12.279 0.837 -7.572 1.00 0.00 C ATOM 376 CG ASP A 23 13.765 0.537 -7.816 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.621 1.267 -7.322 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.053 -0.429 -8.515 1.00 0.00 O ATOM 0 H ASP A 23 12.059 0.664 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 23 12.847 2.748 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.797 -0.052 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.796 1.053 -8.525 1.00 0.00 H new ATOM 383 N ALA A 24 9.669 1.832 -6.696 1.00 0.00 N ATOM 384 CA ALA A 24 8.287 2.277 -6.889 1.00 0.00 C ATOM 385 C ALA A 24 8.041 3.627 -6.163 1.00 0.00 C ATOM 386 O ALA A 24 7.336 4.494 -6.659 1.00 0.00 O ATOM 387 CB ALA A 24 7.386 1.165 -6.364 1.00 0.00 C ATOM 0 H ALA A 24 9.765 0.862 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 24 8.071 2.460 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.342 1.454 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.577 0.248 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.593 0.997 -5.307 1.00 0.00 H new ATOM 393 N GLU A 25 8.671 3.729 -4.973 1.00 0.00 N ATOM 394 CA GLU A 25 8.611 4.933 -4.163 1.00 0.00 C ATOM 395 C GLU A 25 9.336 6.112 -4.848 1.00 0.00 C ATOM 396 O GLU A 25 8.843 7.224 -4.824 1.00 0.00 O ATOM 397 CB GLU A 25 9.183 4.679 -2.771 1.00 0.00 C ATOM 398 CG GLU A 25 8.179 3.965 -1.852 1.00 0.00 C ATOM 399 CD GLU A 25 8.698 2.628 -1.334 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.747 2.600 -0.686 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.038 1.624 -1.596 1.00 0.00 O ATOM 0 H GLU A 25 9.227 2.979 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 25 7.562 5.208 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.087 4.076 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.474 5.628 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.945 4.611 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.248 3.802 -2.396 1.00 0.00 H new ATOM 408 N ARG A 26 10.500 5.821 -5.484 1.00 0.00 N ATOM 409 CA ARG A 26 11.317 6.865 -6.115 1.00 0.00 C ATOM 410 C ARG A 26 10.565 7.543 -7.282 1.00 0.00 C ATOM 411 O ARG A 26 10.700 8.734 -7.531 1.00 0.00 O ATOM 412 CB ARG A 26 12.649 6.277 -6.664 1.00 0.00 C ATOM 413 CG ARG A 26 12.651 5.722 -8.105 1.00 0.00 C ATOM 414 CD ARG A 26 13.616 4.557 -8.345 1.00 0.00 C ATOM 415 NE ARG A 26 14.623 4.922 -9.341 1.00 0.00 N ATOM 416 CZ ARG A 26 15.411 3.996 -9.921 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.298 2.720 -9.595 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.315 4.349 -10.821 1.00 0.00 N ATOM 0 H ARG A 26 10.882 4.879 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 26 11.530 7.605 -5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.409 7.056 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.962 5.475 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.641 5.396 -8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.903 6.531 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.104 4.283 -7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.062 3.682 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 26 14.731 5.902 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.610 2.430 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.898 2.025 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.420 5.330 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.907 3.640 -11.254 1.00 0.00 H new ATOM 432 N GLN A 27 9.728 6.703 -7.927 1.00 0.00 N ATOM 433 CA GLN A 27 8.992 7.201 -9.087 1.00 0.00 C ATOM 434 C GLN A 27 7.850 8.118 -8.657 1.00 0.00 C ATOM 435 O GLN A 27 7.683 9.212 -9.181 1.00 0.00 O ATOM 436 CB GLN A 27 8.430 6.036 -9.921 1.00 0.00 C ATOM 437 CG GLN A 27 9.470 4.937 -10.189 1.00 0.00 C ATOM 438 CD GLN A 27 9.141 4.160 -11.469 1.00 0.00 C ATOM 439 OE1 GLN A 27 9.798 4.296 -12.492 1.00 0.00 O ATOM 440 NE2 GLN A 27 8.074 3.357 -11.349 1.00 0.00 N ATOM 0 H GLN A 27 9.556 5.730 -7.676 1.00 0.00 H new ATOM 0 HA GLN A 27 9.691 7.771 -9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.576 5.602 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.062 6.421 -10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.460 5.384 -10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.504 4.251 -9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.578 3.298 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.759 2.805 -12.147 1.00 0.00 H new ATOM 449 N LEU A 28 7.058 7.594 -7.694 1.00 0.00 N ATOM 450 CA LEU A 28 5.939 8.364 -7.184 1.00 0.00 C ATOM 451 C LEU A 28 6.421 9.662 -6.510 1.00 0.00 C ATOM 452 O LEU A 28 5.819 10.711 -6.679 1.00 0.00 O ATOM 453 CB LEU A 28 5.116 7.475 -6.252 1.00 0.00 C ATOM 454 CG LEU A 28 4.733 6.153 -6.939 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.550 5.033 -5.920 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.478 6.346 -7.779 1.00 0.00 C ATOM 0 H LEU A 28 7.179 6.671 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 28 5.296 8.682 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.687 7.266 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.213 8.003 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 28 5.548 5.858 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.280 4.112 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.481 4.883 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.758 5.303 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.215 5.405 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.657 6.667 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.662 7.104 -8.540 1.00 0.00 H new ATOM 468 N LEU A 29 7.546 9.540 -5.760 1.00 0.00 N ATOM 469 CA LEU A 29 8.082 10.703 -5.054 1.00 0.00 C ATOM 470 C LEU A 29 8.692 11.740 -6.017 1.00 0.00 C ATOM 471 O LEU A 29 9.029 12.841 -5.598 1.00 0.00 O ATOM 472 CB LEU A 29 9.223 10.241 -4.128 1.00 0.00 C ATOM 473 CG LEU A 29 8.722 9.467 -2.907 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.817 8.543 -2.361 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.265 10.446 -1.819 1.00 0.00 C ATOM 0 H LEU A 29 8.074 8.676 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 29 7.254 11.157 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.911 9.612 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.788 11.111 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 29 7.876 8.851 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.438 8.003 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.110 7.831 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.683 9.138 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.910 9.888 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.102 11.079 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.458 11.068 -2.205 1.00 0.00 H new ATOM 487 N ALA A 30 8.769 11.375 -7.314 1.00 0.00 N ATOM 488 CA ALA A 30 9.292 12.303 -8.301 1.00 0.00 C ATOM 489 C ALA A 30 8.337 13.501 -8.423 1.00 0.00 C ATOM 490 O ALA A 30 7.128 13.356 -8.279 1.00 0.00 O ATOM 491 CB ALA A 30 9.490 11.616 -9.656 1.00 0.00 C ATOM 0 H ALA A 30 8.481 10.468 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 30 10.270 12.656 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.882 12.335 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.194 10.791 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.534 11.232 -10.012 1.00 0.00 H new ATOM 497 N PRO A 31 8.921 14.703 -8.690 1.00 0.00 N ATOM 498 CA PRO A 31 8.120 15.910 -8.839 1.00 0.00 C ATOM 499 C PRO A 31 7.218 15.924 -10.088 1.00 0.00 C ATOM 500 O PRO A 31 6.430 16.838 -10.289 1.00 0.00 O ATOM 501 CB PRO A 31 9.164 17.039 -8.979 1.00 0.00 C ATOM 502 CG PRO A 31 10.536 16.383 -9.085 1.00 0.00 C ATOM 503 CD PRO A 31 10.353 14.920 -8.752 1.00 0.00 C ATOM 0 HA PRO A 31 7.441 16.004 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.959 17.644 -9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.124 17.707 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.944 16.502 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.241 16.850 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.812 14.286 -9.511 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.827 14.673 -7.802 1.00 0.00 H new ATOM 511 N MET A 32 7.381 14.865 -10.904 1.00 0.00 N ATOM 512 CA MET A 32 6.571 14.700 -12.080 1.00 0.00 C ATOM 513 C MET A 32 5.126 14.291 -11.815 1.00 0.00 C ATOM 514 O MET A 32 4.219 14.624 -12.572 1.00 0.00 O ATOM 515 CB MET A 32 7.265 13.715 -13.015 1.00 0.00 C ATOM 516 CG MET A 32 8.314 14.360 -13.911 1.00 0.00 C ATOM 517 SD MET A 32 8.613 13.361 -15.381 1.00 0.00 S ATOM 518 CE MET A 32 9.894 12.301 -14.702 1.00 0.00 C ATOM 0 H MET A 32 8.068 14.126 -10.754 1.00 0.00 H new ATOM 0 HA MET A 32 6.484 15.682 -12.545 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.738 12.934 -12.420 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.515 13.230 -13.639 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.983 15.356 -14.205 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.244 14.484 -13.356 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.224 11.595 -15.464 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.739 12.911 -14.382 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.498 11.753 -13.847 1.00 0.00 H new ATOM 528 N ASN A 33 4.944 13.550 -10.699 1.00 0.00 N ATOM 529 CA ASN A 33 3.617 13.021 -10.345 1.00 0.00 C ATOM 530 C ASN A 33 3.400 13.022 -8.831 1.00 0.00 C ATOM 531 O ASN A 33 4.236 12.545 -8.083 1.00 0.00 O ATOM 532 CB ASN A 33 3.413 11.602 -10.868 1.00 0.00 C ATOM 533 CG ASN A 33 3.560 11.520 -12.355 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.592 11.117 -12.857 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.444 11.887 -13.001 1.00 0.00 N ATOM 0 H ASN A 33 5.687 13.311 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 33 2.890 13.682 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.135 10.936 -10.396 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.421 11.251 -10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.406 11.842 -14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.633 12.211 -12.474 1.00 0.00 H new ATOM 542 N LYS A 34 2.292 13.680 -8.438 1.00 0.00 N ATOM 543 CA LYS A 34 1.908 13.795 -7.029 1.00 0.00 C ATOM 544 C LYS A 34 0.856 12.742 -6.635 1.00 0.00 C ATOM 545 O LYS A 34 0.407 11.962 -7.465 1.00 0.00 O ATOM 546 CB LYS A 34 1.462 15.232 -6.731 1.00 0.00 C ATOM 547 CG LYS A 34 0.413 15.763 -7.712 1.00 0.00 C ATOM 548 CD LYS A 34 -0.899 14.979 -7.633 1.00 0.00 C ATOM 549 CE LYS A 34 -2.095 15.792 -8.107 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.487 16.782 -7.107 1.00 0.00 N ATOM 0 H LYS A 34 1.649 14.139 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 34 2.776 13.582 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.057 15.276 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.333 15.886 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.219 16.815 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.806 15.709 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.815 14.076 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.066 14.660 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.850 16.294 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.933 15.126 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.407 17.192 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.562 16.324 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.771 17.536 -7.065 1.00 0.00 H new ATOM 564 N ALA A 35 0.432 12.849 -5.338 1.00 0.00 N ATOM 565 CA ALA A 35 -0.574 12.007 -4.685 1.00 0.00 C ATOM 566 C ALA A 35 -1.655 11.594 -5.692 1.00 0.00 C ATOM 567 O ALA A 35 -2.461 12.405 -6.139 1.00 0.00 O ATOM 568 CB ALA A 35 -1.208 12.793 -3.516 1.00 0.00 C ATOM 0 H ALA A 35 0.808 13.559 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.099 11.104 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.958 12.173 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.434 13.064 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.680 13.698 -3.899 1.00 0.00 H new ATOM 574 N GLY A 36 -1.603 10.276 -6.005 1.00 0.00 N ATOM 575 CA GLY A 36 -2.508 9.717 -6.985 1.00 0.00 C ATOM 576 C GLY A 36 -1.806 8.708 -7.880 1.00 0.00 C ATOM 577 O GLY A 36 -2.382 7.708 -8.276 1.00 0.00 O ATOM 0 H GLY A 36 -0.951 9.609 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.343 9.235 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.925 10.518 -7.595 1.00 0.00 H new ATOM 581 N SER A 37 -0.516 9.012 -8.130 1.00 0.00 N ATOM 582 CA SER A 37 0.350 8.085 -8.839 1.00 0.00 C ATOM 583 C SER A 37 0.510 6.878 -7.892 1.00 0.00 C ATOM 584 O SER A 37 0.776 7.039 -6.700 1.00 0.00 O ATOM 585 CB SER A 37 1.671 8.796 -9.230 1.00 0.00 C ATOM 586 OG SER A 37 2.348 9.456 -8.068 1.00 0.00 O ATOM 0 H SER A 37 -0.067 9.884 -7.850 1.00 0.00 H new ATOM 0 HA SER A 37 -0.053 7.734 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.351 8.069 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.462 9.545 -9.994 1.00 0.00 H new ATOM 0 HG SER A 37 1.891 10.297 -7.857 1.00 0.00 H new ATOM 592 N PHE A 38 0.336 5.666 -8.491 1.00 0.00 N ATOM 593 CA PHE A 38 0.430 4.456 -7.676 1.00 0.00 C ATOM 594 C PHE A 38 1.341 3.421 -8.401 1.00 0.00 C ATOM 595 O PHE A 38 1.652 3.532 -9.578 1.00 0.00 O ATOM 596 CB PHE A 38 -0.964 3.772 -7.503 1.00 0.00 C ATOM 597 CG PHE A 38 -1.936 4.209 -6.429 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.185 5.528 -6.131 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.666 3.252 -5.731 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.154 5.904 -5.210 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.616 3.605 -4.777 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.871 4.941 -4.518 1.00 0.00 C ATOM 0 H PHE A 38 0.141 5.519 -9.481 1.00 0.00 H new ATOM 0 HA PHE A 38 0.826 4.749 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.483 3.867 -8.457 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.777 2.710 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.610 6.295 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.491 2.206 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.350 6.951 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.154 2.838 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.615 5.227 -3.790 1.00 0.00 H new ATOM 612 N LEU A 39 1.678 2.390 -7.589 1.00 0.00 N ATOM 613 CA LEU A 39 2.503 1.245 -7.936 1.00 0.00 C ATOM 614 C LEU A 39 2.044 0.053 -7.136 1.00 0.00 C ATOM 615 O LEU A 39 2.110 0.098 -5.920 1.00 0.00 O ATOM 616 CB LEU A 39 4.027 1.435 -7.678 1.00 0.00 C ATOM 617 CG LEU A 39 4.805 2.065 -8.835 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.695 1.039 -9.943 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.462 3.463 -9.372 1.00 0.00 C ATOM 0 H LEU A 39 1.354 2.349 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 39 2.381 1.108 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.155 2.057 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.466 0.463 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 39 5.795 2.286 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.225 1.398 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.136 0.098 -9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.645 0.881 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.137 3.714 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.434 3.472 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.572 4.197 -8.573 1.00 0.00 H new ATOM 631 N ILE A 40 1.590 -1.020 -7.877 1.00 0.00 N ATOM 632 CA ILE A 40 1.122 -2.169 -7.108 1.00 0.00 C ATOM 633 C ILE A 40 2.224 -3.222 -7.449 1.00 0.00 C ATOM 634 O ILE A 40 2.100 -4.040 -8.352 1.00 0.00 O ATOM 635 CB ILE A 40 -0.358 -2.517 -7.513 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.173 -3.178 -6.390 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.467 -3.577 -8.599 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.645 -2.665 -6.427 1.00 0.00 C ATOM 0 H ILE A 40 1.549 -1.091 -8.894 1.00 0.00 H new ATOM 0 HA ILE A 40 1.030 -2.052 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.725 -1.535 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.154 -4.262 -6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.725 -2.952 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.518 -3.762 -8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.040 -3.229 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.002 -4.500 -8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.215 -3.138 -5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.657 -1.584 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.093 -2.914 -7.389 1.00 0.00 H new ATOM 650 N ARG A 41 3.299 -3.203 -6.633 1.00 0.00 N ATOM 651 CA ARG A 41 4.356 -4.132 -6.986 1.00 0.00 C ATOM 652 C ARG A 41 4.043 -5.464 -6.305 1.00 0.00 C ATOM 653 O ARG A 41 3.238 -5.531 -5.392 1.00 0.00 O ATOM 654 CB ARG A 41 5.667 -3.523 -6.441 1.00 0.00 C ATOM 655 CG ARG A 41 5.861 -3.661 -4.916 1.00 0.00 C ATOM 656 CD ARG A 41 6.869 -4.768 -4.577 1.00 0.00 C ATOM 657 NE ARG A 41 6.706 -5.210 -3.193 1.00 0.00 N ATOM 658 CZ ARG A 41 7.669 -5.910 -2.556 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.791 -6.247 -3.178 1.00 0.00 N ATOM 660 NH2 ARG A 41 7.492 -6.267 -1.292 1.00 0.00 N ATOM 0 H ARG A 41 3.442 -2.616 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 41 4.443 -4.300 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.509 -3.999 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.696 -2.465 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.208 -2.713 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.903 -3.882 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.730 -5.612 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.884 -4.401 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 41 5.844 -4.984 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.936 -5.977 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.509 -6.776 -2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.632 -6.013 -0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.216 -6.796 -0.805 1.00 0.00 H new ATOM 674 N GLU A 42 4.725 -6.506 -6.803 1.00 0.00 N ATOM 675 CA GLU A 42 4.515 -7.847 -6.281 1.00 0.00 C ATOM 676 C GLU A 42 5.576 -8.235 -5.264 1.00 0.00 C ATOM 677 O GLU A 42 6.749 -7.985 -5.500 1.00 0.00 O ATOM 678 CB GLU A 42 4.445 -8.852 -7.454 1.00 0.00 C ATOM 679 CG GLU A 42 5.768 -9.456 -7.905 1.00 0.00 C ATOM 680 CD GLU A 42 5.562 -10.508 -9.001 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.873 -10.226 -9.983 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.092 -11.606 -8.857 1.00 0.00 O ATOM 0 H GLU A 42 5.413 -6.440 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 42 3.565 -7.867 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.777 -9.665 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.989 -8.350 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.422 -8.667 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.270 -9.912 -7.052 1.00 0.00 H new ATOM 689 N SER A 43 5.158 -8.922 -4.172 1.00 0.00 N ATOM 690 CA SER A 43 6.223 -9.365 -3.255 1.00 0.00 C ATOM 691 C SER A 43 6.879 -10.572 -3.981 1.00 0.00 C ATOM 692 O SER A 43 6.223 -11.564 -4.255 1.00 0.00 O ATOM 693 CB SER A 43 5.638 -9.745 -1.866 1.00 0.00 C ATOM 694 OG SER A 43 6.701 -9.498 -0.830 1.00 0.00 O ATOM 0 H SER A 43 4.197 -9.160 -3.924 1.00 0.00 H new ATOM 0 HA SER A 43 6.955 -8.586 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.751 -9.150 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.331 -10.791 -1.855 1.00 0.00 H new ATOM 0 HG SER A 43 6.354 -9.729 0.057 1.00 0.00 H new ATOM 700 N GLU A 44 8.173 -10.454 -4.312 1.00 0.00 N ATOM 701 CA GLU A 44 8.843 -11.540 -5.038 1.00 0.00 C ATOM 702 C GLU A 44 9.077 -12.815 -4.187 1.00 0.00 C ATOM 703 O GLU A 44 9.897 -13.655 -4.536 1.00 0.00 O ATOM 704 CB GLU A 44 10.165 -11.042 -5.617 1.00 0.00 C ATOM 705 CG GLU A 44 11.011 -10.261 -4.587 1.00 0.00 C ATOM 706 CD GLU A 44 12.510 -10.200 -4.960 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.842 -10.188 -6.146 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.335 -10.183 -4.048 1.00 0.00 O ATOM 0 H GLU A 44 8.759 -9.647 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 44 8.166 -11.834 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.740 -11.893 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.963 -10.401 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.622 -9.246 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.904 -10.728 -3.608 1.00 0.00 H new ATOM 715 N SER A 45 8.371 -12.899 -3.039 1.00 0.00 N ATOM 716 CA SER A 45 8.495 -14.052 -2.163 1.00 0.00 C ATOM 717 C SER A 45 7.159 -14.382 -1.465 1.00 0.00 C ATOM 718 O SER A 45 7.143 -14.892 -0.351 1.00 0.00 O ATOM 719 CB SER A 45 9.500 -13.618 -1.081 1.00 0.00 C ATOM 720 OG SER A 45 9.084 -12.512 -0.173 1.00 0.00 O ATOM 0 H SER A 45 7.721 -12.184 -2.712 1.00 0.00 H new ATOM 0 HA SER A 45 8.800 -14.933 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.735 -14.489 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.423 -13.319 -1.577 1.00 0.00 H new ATOM 0 HG SER A 45 9.801 -12.328 0.469 1.00 0.00 H new ATOM 726 N ASN A 46 6.057 -13.981 -2.120 1.00 0.00 N ATOM 727 CA ASN A 46 4.713 -14.205 -1.601 1.00 0.00 C ATOM 728 C ASN A 46 3.934 -15.339 -2.277 1.00 0.00 C ATOM 729 O ASN A 46 4.264 -15.825 -3.352 1.00 0.00 O ATOM 730 CB ASN A 46 3.896 -12.925 -1.754 1.00 0.00 C ATOM 731 CG ASN A 46 3.834 -12.332 -3.192 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.655 -11.144 -3.369 1.00 0.00 O ATOM 733 ND2 ASN A 46 4.002 -13.167 -4.214 1.00 0.00 N ATOM 0 H ASN A 46 6.080 -13.496 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 46 4.854 -14.498 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.878 -13.123 -1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.310 -12.169 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.982 -12.813 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.151 -14.161 -4.041 1.00 0.00 H new ATOM 740 N LYS A 47 2.883 -15.749 -1.543 1.00 0.00 N ATOM 741 CA LYS A 47 1.877 -16.678 -2.061 1.00 0.00 C ATOM 742 C LYS A 47 0.935 -16.024 -3.098 1.00 0.00 C ATOM 743 O LYS A 47 -0.268 -16.251 -3.071 1.00 0.00 O ATOM 744 CB LYS A 47 1.174 -17.487 -0.973 1.00 0.00 C ATOM 745 CG LYS A 47 0.788 -16.616 0.194 1.00 0.00 C ATOM 746 CD LYS A 47 -0.119 -15.482 -0.250 1.00 0.00 C ATOM 747 CE LYS A 47 -0.668 -14.690 0.916 1.00 0.00 C ATOM 748 NZ LYS A 47 -1.150 -13.364 0.542 1.00 0.00 N ATOM 0 H LYS A 47 2.713 -15.446 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 47 2.424 -17.433 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.283 -17.960 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.830 -18.287 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.282 -17.217 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.685 -16.208 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.435 -14.815 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.947 -15.889 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.484 -15.249 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.110 -14.585 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.616 -12.640 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.017 -13.222 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.161 -13.284 0.774 1.00 0.00 H new ATOM 762 N GLY A 48 1.504 -15.203 -3.994 1.00 0.00 N ATOM 763 CA GLY A 48 0.655 -14.510 -4.947 1.00 0.00 C ATOM 764 C GLY A 48 0.090 -13.212 -4.337 1.00 0.00 C ATOM 765 O GLY A 48 -1.050 -12.836 -4.570 1.00 0.00 O ATOM 0 H GLY A 48 2.503 -15.014 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.226 -14.276 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.165 -15.161 -5.251 1.00 0.00 H new ATOM 769 N ALA A 49 0.970 -12.557 -3.543 1.00 0.00 N ATOM 770 CA ALA A 49 0.606 -11.284 -2.889 1.00 0.00 C ATOM 771 C ALA A 49 1.110 -10.074 -3.695 1.00 0.00 C ATOM 772 O ALA A 49 1.855 -10.191 -4.659 1.00 0.00 O ATOM 773 CB ALA A 49 1.167 -11.217 -1.451 1.00 0.00 C ATOM 0 H ALA A 49 1.916 -12.882 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.483 -11.246 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.884 -10.269 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.760 -12.040 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.254 -11.295 -1.480 1.00 0.00 H new ATOM 779 N PHE A 50 0.618 -8.901 -3.256 1.00 0.00 N ATOM 780 CA PHE A 50 0.998 -7.646 -3.891 1.00 0.00 C ATOM 781 C PHE A 50 1.099 -6.549 -2.794 1.00 0.00 C ATOM 782 O PHE A 50 0.710 -6.753 -1.650 1.00 0.00 O ATOM 783 CB PHE A 50 0.059 -7.315 -5.088 1.00 0.00 C ATOM 784 CG PHE A 50 0.249 -8.202 -6.298 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.454 -9.402 -6.424 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.093 -7.818 -7.334 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.330 -10.189 -7.564 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.209 -8.598 -8.479 1.00 0.00 C ATOM 789 CZ PHE A 50 0.503 -9.785 -8.597 1.00 0.00 C ATOM 0 H PHE A 50 -0.033 -8.806 -2.476 1.00 0.00 H new ATOM 0 HA PHE A 50 1.984 -7.716 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.976 -7.394 -4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.220 -6.278 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.104 -9.724 -5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.664 -6.905 -7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.882 -11.114 -7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.854 -8.276 -9.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.601 -10.390 -9.486 1.00 0.00 H new ATOM 799 N SER A 51 1.606 -5.375 -3.228 1.00 0.00 N ATOM 800 CA SER A 51 1.811 -4.208 -2.366 1.00 0.00 C ATOM 801 C SER A 51 1.577 -2.929 -3.186 1.00 0.00 C ATOM 802 O SER A 51 2.031 -2.849 -4.309 1.00 0.00 O ATOM 803 CB SER A 51 3.236 -4.179 -1.754 1.00 0.00 C ATOM 804 OG SER A 51 3.443 -5.203 -0.683 1.00 0.00 O ATOM 0 H SER A 51 1.885 -5.217 -4.196 1.00 0.00 H new ATOM 0 HA SER A 51 1.101 -4.270 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.967 -4.340 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.426 -3.188 -1.341 1.00 0.00 H new ATOM 0 HG SER A 51 4.358 -5.136 -0.339 1.00 0.00 H new ATOM 810 N LEU A 52 0.889 -1.939 -2.583 1.00 0.00 N ATOM 811 CA LEU A 52 0.594 -0.682 -3.299 1.00 0.00 C ATOM 812 C LEU A 52 1.311 0.525 -2.640 1.00 0.00 C ATOM 813 O LEU A 52 1.487 0.588 -1.432 1.00 0.00 O ATOM 814 CB LEU A 52 -0.942 -0.512 -3.158 1.00 0.00 C ATOM 815 CG LEU A 52 -1.639 0.420 -4.161 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.132 0.212 -5.589 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.185 0.281 -4.091 1.00 0.00 C ATOM 0 H LEU A 52 0.535 -1.981 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 52 0.933 -0.720 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.400 -1.498 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.151 -0.144 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.382 1.439 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.653 0.892 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.061 0.412 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.320 -0.817 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.644 0.955 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.469 -0.746 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.528 0.536 -3.088 1.00 0.00 H new ATOM 829 N SER A 53 1.738 1.439 -3.531 1.00 0.00 N ATOM 830 CA SER A 53 2.451 2.665 -3.197 1.00 0.00 C ATOM 831 C SER A 53 1.671 3.873 -3.706 1.00 0.00 C ATOM 832 O SER A 53 1.149 3.846 -4.809 1.00 0.00 O ATOM 833 CB SER A 53 3.852 2.621 -3.848 1.00 0.00 C ATOM 834 OG SER A 53 4.630 1.361 -3.799 1.00 0.00 O ATOM 0 H SER A 53 1.586 1.332 -4.534 1.00 0.00 H new ATOM 0 HA SER A 53 2.555 2.751 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.736 2.895 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.456 3.399 -3.381 1.00 0.00 H new ATOM 0 HG SER A 53 5.489 1.489 -4.252 1.00 0.00 H new ATOM 840 N VAL A 54 1.615 4.918 -2.871 1.00 0.00 N ATOM 841 CA VAL A 54 0.911 6.126 -3.314 1.00 0.00 C ATOM 842 C VAL A 54 1.685 7.308 -2.780 1.00 0.00 C ATOM 843 O VAL A 54 2.181 7.221 -1.674 1.00 0.00 O ATOM 844 CB VAL A 54 -0.526 6.189 -2.787 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.308 7.377 -3.371 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.205 4.847 -2.982 1.00 0.00 C ATOM 0 H VAL A 54 2.023 4.956 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 54 0.852 6.126 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.503 6.382 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.321 7.379 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.809 8.308 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.350 7.287 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.227 4.898 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.221 4.598 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.656 4.079 -2.438 1.00 0.00 H new ATOM 856 N LYS A 55 1.754 8.418 -3.527 1.00 0.00 N ATOM 857 CA LYS A 55 2.545 9.493 -2.934 1.00 0.00 C ATOM 858 C LYS A 55 1.738 10.228 -1.869 1.00 0.00 C ATOM 859 O LYS A 55 0.865 11.052 -2.211 1.00 0.00 O ATOM 860 CB LYS A 55 3.019 10.398 -4.067 1.00 0.00 C ATOM 861 CG LYS A 55 4.325 11.150 -3.760 1.00 0.00 C ATOM 862 CD LYS A 55 4.208 12.674 -3.789 1.00 0.00 C ATOM 863 CE LYS A 55 4.857 13.298 -5.020 1.00 0.00 C ATOM 864 NZ LYS A 55 6.300 13.401 -4.905 1.00 0.00 N ATOM 0 H LYS A 55 1.326 8.586 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 55 3.420 9.102 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.160 9.796 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.237 11.124 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.681 10.845 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.083 10.844 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.155 12.953 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.672 13.086 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.609 12.701 -5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.438 14.291 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.574 14.403 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.615 12.914 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.747 12.960 -5.734 1.00 0.00 H new ATOM 878 N ASP A 56 2.153 10.085 -0.601 1.00 0.00 N ATOM 879 CA ASP A 56 1.377 10.778 0.418 1.00 0.00 C ATOM 880 C ASP A 56 2.153 12.055 0.702 1.00 0.00 C ATOM 881 O ASP A 56 3.369 12.095 0.771 1.00 0.00 O ATOM 882 CB ASP A 56 1.275 9.870 1.661 1.00 0.00 C ATOM 883 CG ASP A 56 1.037 10.631 2.980 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.083 11.074 3.215 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.972 10.779 3.759 1.00 0.00 O ATOM 0 H ASP A 56 2.954 9.542 -0.280 1.00 0.00 H new ATOM 0 HA ASP A 56 0.357 11.013 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.462 9.159 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.193 9.290 1.750 1.00 0.00 H new ATOM 890 N ILE A 57 1.325 13.118 0.761 1.00 0.00 N ATOM 891 CA ILE A 57 1.871 14.459 0.933 1.00 0.00 C ATOM 892 C ILE A 57 1.174 15.201 2.071 1.00 0.00 C ATOM 893 O ILE A 57 -0.029 15.430 2.043 1.00 0.00 O ATOM 894 CB ILE A 57 1.757 15.239 -0.386 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.001 14.352 -1.621 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.722 16.424 -0.385 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.263 15.154 -2.893 1.00 0.00 C ATOM 0 H ILE A 57 0.308 13.068 0.694 1.00 0.00 H new ATOM 0 HA ILE A 57 2.924 14.373 1.202 1.00 0.00 H new ATOM 0 HB ILE A 57 0.732 15.604 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.852 13.699 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.134 13.709 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.631 16.968 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.480 17.089 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.744 16.061 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.427 14.471 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.402 15.788 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.147 15.777 -2.755 1.00 0.00 H new ATOM 909 N THR A 58 1.998 15.492 3.092 1.00 0.00 N ATOM 910 CA THR A 58 1.521 16.215 4.268 1.00 0.00 C ATOM 911 C THR A 58 2.471 17.365 4.554 1.00 0.00 C ATOM 912 O THR A 58 3.534 17.487 3.955 1.00 0.00 O ATOM 913 CB THR A 58 1.339 15.245 5.442 1.00 0.00 C ATOM 914 OG1 THR A 58 1.087 15.946 6.731 1.00 0.00 O ATOM 915 CG2 THR A 58 2.633 14.435 5.611 1.00 0.00 C ATOM 0 H THR A 58 2.985 15.238 3.121 1.00 0.00 H new ATOM 0 HA THR A 58 0.538 16.652 4.093 1.00 0.00 H new ATOM 0 HB THR A 58 0.477 14.618 5.213 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.976 15.285 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.521 13.739 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.835 13.878 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.462 15.112 5.814 1.00 0.00 H new ATOM 923 N THR A 59 2.000 18.227 5.480 1.00 0.00 N ATOM 924 CA THR A 59 2.778 19.375 5.915 1.00 0.00 C ATOM 925 C THR A 59 4.124 18.980 6.569 1.00 0.00 C ATOM 926 O THR A 59 4.868 19.857 6.995 1.00 0.00 O ATOM 927 CB THR A 59 2.023 20.370 6.865 1.00 0.00 C ATOM 928 OG1 THR A 59 2.564 21.714 7.125 1.00 0.00 O ATOM 929 CG2 THR A 59 1.754 19.683 8.220 1.00 0.00 C ATOM 0 H THR A 59 1.089 18.139 5.930 1.00 0.00 H new ATOM 0 HA THR A 59 2.966 19.902 4.980 1.00 0.00 H new ATOM 0 HB THR A 59 1.135 20.589 6.273 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.542 21.669 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.230 20.374 8.880 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.141 18.795 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.701 19.394 8.676 1.00 0.00 H new ATOM 937 N GLN A 60 4.398 17.654 6.655 1.00 0.00 N ATOM 938 CA GLN A 60 5.630 17.200 7.309 1.00 0.00 C ATOM 939 C GLN A 60 6.709 16.959 6.248 1.00 0.00 C ATOM 940 O GLN A 60 7.790 17.541 6.288 1.00 0.00 O ATOM 941 CB GLN A 60 5.367 15.918 8.107 1.00 0.00 C ATOM 942 CG GLN A 60 4.394 16.128 9.274 1.00 0.00 C ATOM 943 CD GLN A 60 4.118 14.803 10.003 1.00 0.00 C ATOM 944 OE1 GLN A 60 4.239 13.717 9.454 1.00 0.00 O ATOM 945 NE2 GLN A 60 3.760 14.968 11.285 1.00 0.00 N ATOM 0 H GLN A 60 3.801 16.912 6.291 1.00 0.00 H new ATOM 0 HA GLN A 60 5.975 17.968 8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.965 15.156 7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.312 15.537 8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.810 16.853 9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.458 16.545 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.679 15.907 11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.568 14.155 11.870 1.00 0.00 H new ATOM 954 N GLY A 61 6.388 16.024 5.344 1.00 0.00 N ATOM 955 CA GLY A 61 7.325 15.719 4.276 1.00 0.00 C ATOM 956 C GLY A 61 6.636 14.941 3.157 1.00 0.00 C ATOM 957 O GLY A 61 5.472 14.565 3.261 1.00 0.00 O ATOM 0 H GLY A 61 5.520 15.489 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.744 16.643 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.157 15.136 4.671 1.00 0.00 H new ATOM 961 N GLU A 62 7.409 14.796 2.057 1.00 0.00 N ATOM 962 CA GLU A 62 6.957 14.073 0.886 1.00 0.00 C ATOM 963 C GLU A 62 7.281 12.579 1.049 1.00 0.00 C ATOM 964 O GLU A 62 8.444 12.210 1.163 1.00 0.00 O ATOM 965 CB GLU A 62 7.678 14.664 -0.327 1.00 0.00 C ATOM 966 CG GLU A 62 6.816 14.538 -1.574 1.00 0.00 C ATOM 967 CD GLU A 62 7.317 15.446 -2.718 1.00 0.00 C ATOM 968 OE1 GLU A 62 8.513 15.728 -2.786 1.00 0.00 O ATOM 969 OE2 GLU A 62 6.493 15.863 -3.531 1.00 0.00 O ATOM 0 H GLU A 62 8.351 15.179 1.973 1.00 0.00 H new ATOM 0 HA GLU A 62 5.879 14.167 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.911 15.713 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.626 14.149 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.813 13.501 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.786 14.797 -1.330 1.00 0.00 H new ATOM 976 N VAL A 63 6.217 11.745 1.063 1.00 0.00 N ATOM 977 CA VAL A 63 6.414 10.310 1.237 1.00 0.00 C ATOM 978 C VAL A 63 5.506 9.542 0.277 1.00 0.00 C ATOM 979 O VAL A 63 4.811 10.116 -0.547 1.00 0.00 O ATOM 980 CB VAL A 63 6.123 9.933 2.699 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.927 10.805 3.673 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.612 9.995 2.997 1.00 0.00 C ATOM 0 H VAL A 63 5.246 12.040 0.958 1.00 0.00 H new ATOM 0 HA VAL A 63 7.446 10.045 1.008 1.00 0.00 H new ATOM 0 HB VAL A 63 6.446 8.902 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.698 10.512 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.993 10.671 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.662 11.852 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.435 9.724 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.247 11.007 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.084 9.299 2.346 1.00 0.00 H new ATOM 992 N VAL A 64 5.536 8.206 0.478 1.00 0.00 N ATOM 993 CA VAL A 64 4.708 7.290 -0.288 1.00 0.00 C ATOM 994 C VAL A 64 3.684 6.720 0.698 1.00 0.00 C ATOM 995 O VAL A 64 3.430 7.280 1.744 1.00 0.00 O ATOM 996 CB VAL A 64 5.557 6.228 -1.040 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.816 5.455 -2.137 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.718 6.908 -1.712 1.00 0.00 C ATOM 0 H VAL A 64 6.132 7.751 1.170 1.00 0.00 H new ATOM 0 HA VAL A 64 4.180 7.792 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 64 5.849 5.513 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.495 4.740 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.971 4.923 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.454 6.153 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.317 6.167 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.346 7.647 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.334 7.403 -0.961 1.00 0.00 H new ATOM 1008 N LYS A 65 3.078 5.620 0.288 1.00 0.00 N ATOM 1009 CA LYS A 65 2.113 4.869 1.079 1.00 0.00 C ATOM 1010 C LYS A 65 2.415 3.408 0.907 1.00 0.00 C ATOM 1011 O LYS A 65 3.005 3.023 -0.084 1.00 0.00 O ATOM 1012 CB LYS A 65 0.689 5.152 0.641 1.00 0.00 C ATOM 1013 CG LYS A 65 0.317 6.582 1.001 1.00 0.00 C ATOM 1014 CD LYS A 65 0.086 6.777 2.519 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.297 7.325 2.823 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.917 6.799 4.057 1.00 0.00 N ATOM 0 H LYS A 65 3.247 5.211 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 65 2.196 5.168 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.592 5.000 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.004 4.455 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.109 7.253 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.587 6.864 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.217 5.823 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.840 7.458 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.233 8.410 2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.953 7.103 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.440 7.561 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.572 6.028 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.176 6.438 4.691 1.00 0.00 H new ATOM 1030 N HIS A 66 1.940 2.609 1.876 1.00 0.00 N ATOM 1031 CA HIS A 66 2.198 1.189 1.761 1.00 0.00 C ATOM 1032 C HIS A 66 0.990 0.369 2.267 1.00 0.00 C ATOM 1033 O HIS A 66 0.877 0.083 3.453 1.00 0.00 O ATOM 1034 CB HIS A 66 3.423 0.885 2.646 1.00 0.00 C ATOM 1035 CG HIS A 66 4.687 1.364 1.978 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.332 2.504 2.307 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.384 0.738 0.934 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.390 2.573 1.487 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.442 1.521 0.655 1.00 0.00 N ATOM 0 H HIS A 66 1.409 2.908 2.694 1.00 0.00 H new ATOM 0 HA HIS A 66 2.374 0.920 0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.309 1.372 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.487 -0.187 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.123 -0.191 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.112 3.376 1.495 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.152 1.347 -0.057 1.00 0.00 H new ATOM 1047 N TYR A 67 0.169 -0.089 1.300 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.001 -0.918 1.630 1.00 0.00 C ATOM 1049 C TYR A 67 -0.575 -2.369 1.301 1.00 0.00 C ATOM 1050 O TYR A 67 0.608 -2.635 1.129 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.255 -0.485 0.832 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.738 0.868 1.246 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.543 1.010 2.372 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.333 1.994 0.546 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.881 2.267 2.833 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.646 3.267 0.998 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.409 3.395 2.186 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.706 4.565 2.866 1.00 0.00 O ATOM 0 H TYR A 67 0.293 0.098 0.305 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.287 -0.814 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.023 -0.478 -0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.050 -1.216 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.905 0.133 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.765 1.878 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.515 2.370 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.316 4.142 0.457 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.747 4.383 3.828 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.550 -3.299 1.229 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.206 -4.684 0.973 1.00 0.00 C ATOM 1070 C LYS A 68 -2.416 -5.522 0.484 1.00 0.00 C ATOM 1071 O LYS A 68 -3.345 -5.881 1.198 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.646 -5.285 2.259 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.218 -4.753 3.557 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.725 -4.933 3.639 1.00 0.00 C ATOM 1075 CE LYS A 68 -3.298 -4.521 4.970 1.00 0.00 C ATOM 1076 NZ LYS A 68 -4.754 -4.645 4.985 1.00 0.00 N ATOM 0 H LYS A 68 -2.546 -3.111 1.342 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.466 -4.708 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.808 -6.363 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.432 -5.125 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.747 -5.265 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.975 -3.695 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.198 -4.349 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.971 -5.978 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.870 -5.140 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.017 -3.490 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.145 -4.058 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.139 -4.327 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.016 -5.639 5.144 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.297 -5.860 -0.796 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.263 -6.683 -1.517 1.00 0.00 C ATOM 1092 C ILE A 69 -2.892 -8.170 -1.427 1.00 0.00 C ATOM 1093 O ILE A 69 -1.829 -8.607 -1.876 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.470 -6.238 -2.971 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.241 -5.599 -3.610 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.734 -5.445 -3.199 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.174 -4.095 -3.418 1.00 0.00 C ATOM 0 H ILE A 69 -1.510 -5.563 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.224 -6.540 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.617 -7.173 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.344 -6.052 -3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.238 -5.822 -4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.806 -5.169 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.598 -6.050 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.713 -4.543 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.275 -3.707 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.053 -3.632 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.145 -3.865 -2.353 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.824 -8.914 -0.814 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.658 -10.350 -0.673 1.00 0.00 C ATOM 1111 C ARG A 70 -4.447 -11.009 -1.800 1.00 0.00 C ATOM 1112 O ARG A 70 -5.138 -10.341 -2.551 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.189 -10.825 0.686 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.252 -10.385 1.811 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.766 -9.076 2.396 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.041 -8.724 3.617 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.259 -9.387 4.775 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.190 -10.331 4.842 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.537 -9.105 5.851 1.00 0.00 N ATOM 0 H ARG A 70 -4.686 -8.542 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.603 -10.617 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.186 -10.419 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.283 -11.911 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.206 -11.151 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.239 -10.256 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.656 -8.278 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.830 -9.165 2.614 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.359 -7.965 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.745 -10.559 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.350 -10.828 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.815 -8.386 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.704 -9.607 6.723 1.00 0.00 H new ATOM 1133 N SER A 71 -4.402 -12.348 -1.783 1.00 0.00 N ATOM 1134 CA SER A 71 -5.081 -13.118 -2.808 1.00 0.00 C ATOM 1135 C SER A 71 -5.884 -14.226 -2.137 1.00 0.00 C ATOM 1136 O SER A 71 -5.356 -15.084 -1.440 1.00 0.00 O ATOM 1137 CB SER A 71 -3.988 -13.763 -3.700 1.00 0.00 C ATOM 1138 OG SER A 71 -2.736 -14.141 -2.997 1.00 0.00 O ATOM 0 H SER A 71 -3.911 -12.902 -1.082 1.00 0.00 H new ATOM 0 HA SER A 71 -5.747 -12.487 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.405 -14.654 -4.169 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.739 -13.067 -4.501 1.00 0.00 H new ATOM 0 HG SER A 71 -2.038 -13.482 -3.195 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.204 -14.076 -2.335 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.186 -14.995 -1.803 1.00 0.00 C ATOM 1146 C LEU A 72 -8.588 -16.017 -2.850 1.00 0.00 C ATOM 1147 O LEU A 72 -8.734 -15.709 -4.029 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.393 -14.199 -1.308 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.002 -12.895 -0.628 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.808 -13.109 0.318 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.787 -11.771 -1.656 1.00 0.00 C ATOM 0 H LEU A 72 -7.607 -13.308 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.757 -15.546 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.049 -13.981 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.964 -14.811 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.829 -12.562 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.546 -12.164 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.076 -13.837 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.955 -13.478 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.509 -10.853 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.991 -12.055 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.709 -11.608 -2.215 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.821 -17.229 -2.315 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.253 -18.314 -3.192 1.00 0.00 C ATOM 1165 C ASP A 73 -10.634 -18.043 -3.825 1.00 0.00 C ATOM 1166 O ASP A 73 -10.931 -18.509 -4.918 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.355 -19.627 -2.415 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.303 -19.533 -1.205 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -11.505 -19.719 -1.387 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -9.826 -19.274 -0.101 1.00 0.00 O ATOM 0 H ASP A 73 -8.722 -17.469 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.502 -18.381 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.704 -20.413 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.363 -19.918 -2.071 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.414 -17.206 -3.101 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.763 -16.879 -3.549 1.00 0.00 C ATOM 1177 C ASN A 74 -13.094 -15.399 -3.266 1.00 0.00 C ATOM 1178 O ASN A 74 -14.190 -15.035 -2.856 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.801 -17.752 -2.817 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.796 -17.559 -1.283 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.860 -17.036 -0.693 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.916 -17.987 -0.683 1.00 0.00 N ATOM 0 H ASN A 74 -11.131 -16.761 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.804 -17.066 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.794 -17.521 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.607 -18.800 -3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.025 -17.885 0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.659 -18.415 -1.236 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.062 -14.584 -3.541 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.212 -13.146 -3.321 1.00 0.00 C ATOM 1191 C GLY A 75 -11.262 -12.251 -4.114 1.00 0.00 C ATOM 1192 O GLY A 75 -11.258 -11.044 -3.956 1.00 0.00 O ATOM 0 H GLY A 75 -11.155 -14.883 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.236 -12.865 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.071 -12.943 -2.259 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.468 -12.877 -4.983 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.536 -12.131 -5.809 1.00 0.00 C ATOM 1198 C GLY A 76 -8.439 -11.416 -5.018 1.00 0.00 C ATOM 1199 O GLY A 76 -7.421 -12.003 -4.685 1.00 0.00 O ATOM 0 H GLY A 76 -10.455 -13.887 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.071 -12.813 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.090 -11.394 -6.390 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.743 -10.138 -4.682 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.798 -9.293 -3.973 1.00 0.00 C ATOM 1205 C TYR A 77 -8.568 -8.413 -3.002 1.00 0.00 C ATOM 1206 O TYR A 77 -9.681 -7.982 -3.272 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.992 -8.438 -4.979 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.149 -9.285 -5.899 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.671 -9.756 -7.093 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.844 -9.597 -5.567 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.931 -10.538 -7.966 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -4.084 -10.422 -6.407 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.619 -10.904 -7.612 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.836 -11.709 -8.436 1.00 0.00 O ATOM 0 H TYR A 77 -9.633 -9.688 -4.896 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.089 -9.906 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.679 -7.834 -5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.349 -7.747 -4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.689 -9.505 -7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.410 -9.205 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.355 -10.862 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.077 -10.690 -6.124 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.960 -11.850 -8.019 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.881 -8.158 -1.861 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.553 -7.296 -0.859 1.00 0.00 C ATOM 1226 C TYR A 78 -7.544 -6.549 0.015 1.00 0.00 C ATOM 1227 O TYR A 78 -6.439 -7.032 0.270 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.586 -8.052 0.022 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.113 -8.575 1.375 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -9.087 -7.728 2.489 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.720 -9.905 1.556 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.668 -8.158 3.740 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.319 -10.356 2.823 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.294 -9.492 3.928 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.889 -9.946 5.182 1.00 0.00 O ATOM 0 H TYR A 78 -6.950 -8.499 -1.624 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.117 -6.567 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.430 -7.385 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.962 -8.899 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.405 -6.703 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.725 -10.587 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.631 -7.464 4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.024 -11.387 2.950 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.667 -10.899 5.129 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.958 -5.290 0.351 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.043 -4.472 1.203 1.00 0.00 C ATOM 1247 C ILE A 79 -7.772 -4.103 2.517 1.00 0.00 C ATOM 1248 O ILE A 79 -7.256 -4.283 3.615 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.397 -3.222 0.530 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.323 -2.636 -0.474 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.014 -3.402 -0.068 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.781 -1.361 -1.199 1.00 0.00 C ATOM 0 H ILE A 79 -8.836 -4.851 0.075 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.179 -5.107 1.400 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.233 -2.537 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.551 -3.394 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.261 -2.385 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.680 -2.460 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.317 -3.708 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.050 -4.167 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.524 -1.005 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.581 -0.582 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.860 -1.607 -1.727 1.00 0.00 H new ATOM 1264 N SER A 80 -9.027 -3.663 2.325 1.00 0.00 N ATOM 1265 CA SER A 80 -9.882 -3.276 3.423 1.00 0.00 C ATOM 1266 C SER A 80 -10.967 -4.338 3.297 1.00 0.00 C ATOM 1267 O SER A 80 -11.620 -4.410 2.272 1.00 0.00 O ATOM 1268 CB SER A 80 -10.418 -1.830 3.205 1.00 0.00 C ATOM 1269 OG SER A 80 -10.496 -1.178 4.557 1.00 0.00 O ATOM 0 H SER A 80 -9.460 -3.572 1.406 1.00 0.00 H new ATOM 0 HA SER A 80 -9.417 -3.239 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.756 -1.269 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.399 -1.850 2.730 1.00 0.00 H new ATOM 0 HG SER A 80 -10.354 -0.213 4.463 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.136 -5.173 4.362 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.072 -6.286 4.287 1.00 0.00 C ATOM 1277 C PRO A 81 -13.539 -5.910 4.046 1.00 0.00 C ATOM 1278 O PRO A 81 -14.329 -6.743 3.623 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.967 -6.897 5.702 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.837 -6.219 6.467 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.374 -5.091 5.591 1.00 0.00 C ATOM 0 HA PRO A 81 -11.816 -6.926 3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.909 -6.769 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.782 -7.969 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.184 -5.849 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.025 -6.918 6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.534 -4.131 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.306 -5.172 5.389 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.817 -4.593 4.160 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.182 -4.151 3.868 1.00 0.00 C ATOM 1291 C ARG A 82 -15.411 -4.054 2.330 1.00 0.00 C ATOM 1292 O ARG A 82 -16.505 -3.744 1.883 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.496 -2.810 4.543 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.423 -1.747 4.299 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.523 -1.569 5.524 1.00 0.00 C ATOM 1296 NE ARG A 82 -13.100 -0.175 5.641 1.00 0.00 N ATOM 1297 CZ ARG A 82 -13.969 0.773 6.064 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -15.188 0.441 6.479 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -13.613 2.050 6.065 1.00 0.00 N ATOM 0 H ARG A 82 -13.157 -3.865 4.434 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.864 -4.897 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.454 -2.441 4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.605 -2.967 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.817 -2.031 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.899 -0.797 4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.058 -1.871 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.650 -2.216 5.440 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.143 0.086 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.477 -0.537 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.834 1.164 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.682 2.320 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.270 2.762 6.384 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.315 -4.320 1.568 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.229 -4.256 0.114 1.00 0.00 C ATOM 1315 C ILE A 83 -13.161 -5.216 -0.522 1.00 0.00 C ATOM 1316 O ILE A 83 -11.930 -5.153 -0.289 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.086 -2.837 -0.353 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.951 -2.166 0.368 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.368 -2.019 -0.160 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -12.895 -0.746 -0.191 1.00 0.00 C ATOM 0 H ILE A 83 -13.430 -4.598 1.991 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.178 -4.641 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.880 -2.877 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.120 -2.157 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.012 -2.692 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.207 -1.001 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.180 -2.476 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.630 -1.997 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.087 -0.197 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.716 -0.785 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.842 -0.242 0.001 1.00 0.00 H new ATOM 1332 N THR A 84 -13.770 -6.126 -1.321 1.00 0.00 N ATOM 1333 CA THR A 84 -12.954 -7.119 -2.005 1.00 0.00 C ATOM 1334 C THR A 84 -13.230 -6.962 -3.534 1.00 0.00 C ATOM 1335 O THR A 84 -14.257 -6.415 -3.930 1.00 0.00 O ATOM 1336 CB THR A 84 -13.427 -8.513 -1.526 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.968 -8.462 -0.158 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.265 -9.542 -1.814 1.00 0.00 C ATOM 0 H THR A 84 -14.774 -6.183 -1.493 1.00 0.00 H new ATOM 0 HA THR A 84 -11.890 -6.999 -1.801 1.00 0.00 H new ATOM 0 HB THR A 84 -14.289 -8.875 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.259 -9.358 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.570 -10.536 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.053 -9.562 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.369 -9.240 -1.272 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.299 -7.480 -4.368 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.458 -7.401 -5.837 1.00 0.00 C ATOM 1348 C PHE A 85 -11.934 -8.709 -6.469 1.00 0.00 C ATOM 1349 O PHE A 85 -11.167 -9.402 -5.837 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.714 -6.157 -6.347 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.294 -4.879 -5.777 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.443 -4.302 -6.329 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.699 -4.252 -4.682 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.980 -3.129 -5.797 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.239 -3.084 -4.161 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.380 -2.519 -4.705 1.00 0.00 C ATOM 0 H PHE A 85 -11.447 -7.947 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.506 -7.299 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.660 -6.229 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.764 -6.125 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.920 -4.770 -7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.812 -4.678 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.866 -2.695 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.761 -2.608 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.797 -1.616 -4.285 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.335 -9.043 -7.726 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.854 -10.259 -8.393 1.00 0.00 C ATOM 1368 C PRO A 86 -10.390 -10.132 -8.829 1.00 0.00 C ATOM 1369 O PRO A 86 -9.588 -11.024 -8.587 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.731 -10.384 -9.658 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.609 -9.124 -9.730 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.383 -8.339 -8.444 1.00 0.00 C ATOM 0 HA PRO A 86 -11.915 -11.116 -7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.110 -10.471 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.349 -11.281 -9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.345 -8.521 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.660 -9.394 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.087 -7.313 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.296 -8.289 -7.851 1.00 0.00 H new ATOM 1380 N THR A 87 -10.072 -8.970 -9.432 1.00 0.00 N ATOM 1381 CA THR A 87 -8.696 -8.761 -9.870 1.00 0.00 C ATOM 1382 C THR A 87 -8.321 -7.380 -9.377 1.00 0.00 C ATOM 1383 O THR A 87 -9.141 -6.617 -8.876 1.00 0.00 O ATOM 1384 CB THR A 87 -8.511 -8.841 -11.418 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.287 -8.362 -12.077 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.638 -8.071 -12.096 1.00 0.00 C ATOM 0 H THR A 87 -10.718 -8.203 -9.616 1.00 0.00 H new ATOM 0 HA THR A 87 -8.062 -9.551 -9.468 1.00 0.00 H new ATOM 0 HB THR A 87 -8.480 -9.924 -11.539 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.291 -8.640 -13.017 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.515 -8.123 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.597 -8.510 -11.819 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.610 -7.029 -11.777 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.030 -7.081 -9.614 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.585 -5.801 -9.130 1.00 0.00 C ATOM 1396 C LEU A 88 -7.141 -4.702 -9.998 1.00 0.00 C ATOM 1397 O LEU A 88 -7.330 -3.636 -9.473 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.064 -5.617 -9.216 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.227 -6.209 -8.086 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.840 -5.604 -8.103 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.822 -5.883 -6.730 1.00 0.00 C ATOM 0 H LEU A 88 -6.344 -7.662 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.920 -5.758 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.723 -6.054 -10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.855 -4.548 -9.268 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.201 -7.288 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.247 -6.031 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.360 -5.820 -9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.912 -4.525 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.202 -6.319 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.862 -4.801 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.830 -6.294 -6.666 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.424 -4.949 -11.292 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.938 -3.803 -12.079 1.00 0.00 C ATOM 1415 C GLN A 89 -9.341 -3.370 -11.602 1.00 0.00 C ATOM 1416 O GLN A 89 -9.630 -2.183 -11.543 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.894 -4.034 -13.584 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.028 -5.478 -13.978 1.00 0.00 C ATOM 1419 CD GLN A 89 -6.695 -6.107 -14.364 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -5.946 -6.456 -13.314 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -6.361 -6.255 -15.532 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.321 -5.838 -11.781 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.254 -2.976 -11.889 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.695 -3.463 -14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.953 -3.646 -13.975 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.463 -6.038 -13.150 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.720 -5.559 -14.816 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.987 -5.964 -16.282 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.456 -6.670 -15.755 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.137 -4.383 -11.228 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.459 -4.019 -10.710 1.00 0.00 C ATOM 1432 C ALA A 90 -11.329 -3.336 -9.316 1.00 0.00 C ATOM 1433 O ALA A 90 -12.236 -2.656 -8.854 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.324 -5.290 -10.567 1.00 0.00 C ATOM 0 H ALA A 90 -9.915 -5.378 -11.268 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.926 -3.323 -11.407 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.307 -5.020 -10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.434 -5.766 -11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.842 -5.982 -9.877 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.162 -3.555 -8.675 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.858 -2.940 -7.386 1.00 0.00 C ATOM 1442 C LEU A 91 -9.462 -1.467 -7.587 1.00 0.00 C ATOM 1443 O LEU A 91 -9.979 -0.573 -6.933 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.809 -3.804 -6.660 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.848 -3.072 -5.708 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.434 -3.951 -4.519 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.586 -2.584 -6.458 1.00 0.00 C ATOM 0 H LEU A 91 -9.421 -4.155 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.733 -2.911 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.335 -4.570 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.214 -4.320 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.390 -2.209 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.755 -3.394 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.320 -4.238 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.932 -4.846 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.924 -2.070 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.065 -3.439 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.878 -1.898 -7.254 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.619 -1.280 -8.625 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.026 -0.002 -8.981 1.00 0.00 C ATOM 1461 C VAL A 92 -9.105 0.932 -9.568 1.00 0.00 C ATOM 1462 O VAL A 92 -9.043 2.128 -9.364 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.823 -0.227 -9.954 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.773 0.857 -9.901 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.947 -1.439 -9.652 1.00 0.00 C ATOM 0 H VAL A 92 -8.334 -2.039 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.630 0.489 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.372 -0.301 -10.893 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.974 0.625 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.224 1.813 -10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.362 0.916 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.144 -1.500 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.519 -1.339 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.551 -2.345 -9.698 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.094 0.319 -10.266 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.242 0.985 -10.888 1.00 0.00 C ATOM 1477 C GLN A 93 -12.075 1.681 -9.794 1.00 0.00 C ATOM 1478 O GLN A 93 -12.431 2.847 -9.875 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.084 0.067 -11.794 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.253 -0.652 -11.130 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.454 0.303 -11.008 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.405 1.477 -11.356 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -15.535 -0.276 -10.481 1.00 0.00 N ATOM 0 H GLN A 93 -10.104 -0.691 -10.410 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.859 1.739 -11.576 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.474 0.664 -12.618 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.424 -0.683 -12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.532 -1.528 -11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.959 -1.008 -10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.507 -1.260 -10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.389 0.265 -10.347 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.268 0.923 -8.687 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.130 1.464 -7.633 1.00 0.00 C ATOM 1494 C HIS A 94 -12.419 2.644 -6.977 1.00 0.00 C ATOM 1495 O HIS A 94 -12.979 3.725 -6.836 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.398 0.373 -6.584 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.556 0.754 -5.687 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.467 0.886 -4.345 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.883 1.021 -6.066 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.700 1.222 -3.923 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.574 1.311 -4.941 1.00 0.00 N ATOM 0 H HIS A 94 -11.867 0.001 -8.514 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.079 1.794 -8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.616 -0.571 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.503 0.216 -5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.278 0.999 -7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.957 1.399 -2.889 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.563 1.550 -4.877 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.127 2.397 -6.687 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.323 3.467 -6.111 1.00 0.00 C ATOM 1511 C TYR A 95 -9.999 4.561 -7.170 1.00 0.00 C ATOM 1512 O TYR A 95 -9.461 5.604 -6.817 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.033 2.923 -5.493 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.294 2.066 -4.289 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.797 2.580 -3.099 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.991 0.727 -4.359 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.002 1.754 -2.007 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.170 -0.119 -3.299 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.691 0.404 -2.091 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.910 -0.313 -0.935 1.00 0.00 O ATOM 0 H TYR A 95 -10.646 1.510 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.913 3.924 -5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.493 2.341 -6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.389 3.756 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.030 3.632 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.598 0.329 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.404 2.160 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.919 -1.166 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.882 -1.272 -1.135 1.00 0.00 H new ATOM 1530 N SER A 96 -10.325 4.275 -8.471 1.00 0.00 N ATOM 1531 CA SER A 96 -10.033 5.287 -9.499 1.00 0.00 C ATOM 1532 C SER A 96 -11.103 6.393 -9.545 1.00 0.00 C ATOM 1533 O SER A 96 -10.929 7.359 -10.279 1.00 0.00 O ATOM 1534 CB SER A 96 -9.983 4.670 -10.928 1.00 0.00 C ATOM 1535 OG SER A 96 -8.637 4.018 -11.058 1.00 0.00 O ATOM 0 H SER A 96 -10.758 3.413 -8.801 1.00 0.00 H new ATOM 0 HA SER A 96 -9.063 5.698 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.783 3.942 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.118 5.439 -11.689 1.00 0.00 H new ATOM 0 HG SER A 96 -8.705 3.073 -10.806 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.193 6.223 -8.756 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.196 7.283 -8.775 1.00 0.00 C ATOM 1543 C LYS A 97 -13.249 8.067 -7.514 1.00 0.00 C ATOM 1544 O LYS A 97 -13.658 9.225 -7.543 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.598 6.620 -9.023 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.999 6.303 -10.467 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.109 5.235 -11.094 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.722 4.609 -12.359 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.346 5.599 -13.232 1.00 0.00 N ATOM 0 H LYS A 97 -12.382 5.425 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.925 7.981 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.633 5.690 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.358 7.279 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.036 5.967 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.946 7.213 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.144 5.675 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.921 4.450 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.944 4.082 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.466 3.867 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.576 5.160 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.218 5.952 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.689 6.391 -13.383 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.815 7.436 -6.436 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.743 8.178 -5.194 1.00 0.00 C ATOM 1565 C LYS A 98 -11.650 7.526 -4.358 1.00 0.00 C ATOM 1566 O LYS A 98 -10.978 6.606 -4.803 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.085 8.260 -4.466 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.680 6.874 -4.229 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.095 5.986 -3.216 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.178 4.954 -3.864 1.00 0.00 C ATOM 1571 NZ LYS A 98 -13.714 3.612 -3.773 1.00 0.00 N ATOM 0 H LYS A 98 -12.521 6.460 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.496 9.221 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.951 8.768 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.781 8.861 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.730 7.012 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.652 6.343 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.532 6.575 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.889 5.480 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.026 5.212 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.200 4.986 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.130 3.048 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.690 3.651 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.708 3.171 -4.715 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.601 7.943 -3.087 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.580 7.408 -2.213 1.00 0.00 C ATOM 1587 C GLY A 99 -11.117 6.301 -1.358 1.00 0.00 C ATOM 1588 O GLY A 99 -10.610 5.190 -1.396 1.00 0.00 O ATOM 0 H GLY A 99 -12.234 8.622 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.746 7.037 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.189 8.203 -1.578 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.130 6.677 -0.560 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.811 5.779 0.359 1.00 0.00 C ATOM 1594 C ASP A 100 -12.060 5.552 1.684 1.00 0.00 C ATOM 1595 O ASP A 100 -12.613 5.537 2.778 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.224 4.493 -0.377 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.229 3.598 0.383 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -14.268 3.599 1.616 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -14.995 2.925 -0.296 1.00 0.00 O ATOM 0 H ASP A 100 -12.497 7.629 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.727 6.267 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.659 4.767 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.328 3.909 -0.587 1.00 0.00 H new ATOM 1604 N GLY A 101 -10.764 5.405 1.496 1.00 0.00 N ATOM 1605 CA GLY A 101 -9.920 5.184 2.655 1.00 0.00 C ATOM 1606 C GLY A 101 -8.453 5.123 2.325 1.00 0.00 C ATOM 1607 O GLY A 101 -7.644 4.866 3.214 1.00 0.00 O ATOM 0 H GLY A 101 -10.287 5.432 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.089 5.984 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.215 4.252 3.137 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.114 5.351 1.017 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.706 5.264 0.695 1.00 0.00 C ATOM 1613 C LEU A 102 -5.937 6.622 0.862 1.00 0.00 C ATOM 1614 O LEU A 102 -4.923 6.835 0.208 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.384 4.754 -0.710 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.049 3.410 -0.984 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.774 3.004 -2.420 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.572 2.306 -0.013 1.00 0.00 C ATOM 0 H LEU A 102 -8.751 5.575 0.252 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.368 4.530 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.718 5.483 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.304 4.657 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.121 3.526 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.247 2.043 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.179 3.758 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.698 2.919 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.076 1.369 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.495 2.174 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.809 2.595 1.011 1.00 0.00 H new ATOM 1630 N CYS A 103 -6.465 7.522 1.732 1.00 0.00 N ATOM 1631 CA CYS A 103 -5.942 8.887 1.965 1.00 0.00 C ATOM 1632 C CYS A 103 -6.359 9.848 0.822 1.00 0.00 C ATOM 1633 O CYS A 103 -6.787 10.968 1.071 1.00 0.00 O ATOM 1634 CB CYS A 103 -4.420 9.013 2.188 1.00 0.00 C ATOM 1635 SG CYS A 103 -3.419 9.168 0.676 1.00 0.00 S ATOM 0 H CYS A 103 -7.284 7.311 2.302 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.402 9.166 2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.233 9.883 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.078 8.139 2.742 1.00 0.00 H new ATOM 0 HG CYS A 103 -3.679 8.174 -0.120 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.281 9.319 -0.420 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.576 10.074 -1.612 1.00 0.00 C ATOM 1643 C GLN A 104 -7.202 9.034 -2.525 1.00 0.00 C ATOM 1644 O GLN A 104 -7.956 8.188 -2.085 1.00 0.00 O ATOM 1645 CB GLN A 104 -5.266 10.717 -2.149 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.640 11.796 -1.234 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.413 13.124 -1.986 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.342 13.184 -3.209 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.325 14.184 -1.173 1.00 0.00 N ATOM 0 H GLN A 104 -6.009 8.353 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.252 10.920 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.531 9.928 -2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.471 11.163 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.292 11.970 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.690 11.433 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.393 14.059 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.190 15.117 -1.564 1.00 0.00 H new ATOM 1658 N LYS A 105 -6.808 9.092 -3.782 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.316 8.195 -4.794 1.00 0.00 C ATOM 1660 C LYS A 105 -6.442 8.355 -6.034 1.00 0.00 C ATOM 1661 O LYS A 105 -5.517 9.153 -6.056 1.00 0.00 O ATOM 1662 CB LYS A 105 -8.766 8.608 -5.112 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.024 9.789 -6.052 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.168 11.072 -5.324 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.478 11.808 -5.297 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.382 13.181 -4.786 1.00 0.00 N ATOM 0 H LYS A 105 -6.125 9.765 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.299 7.157 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.268 7.738 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.258 8.831 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.202 9.869 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.929 9.599 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.887 10.883 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.426 11.757 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.889 11.835 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.183 11.251 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.324 13.623 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.020 13.164 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.734 13.730 -5.386 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.813 7.593 -7.070 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.028 7.604 -8.293 1.00 0.00 C ATOM 1682 C LEU A 106 -6.339 8.799 -9.198 1.00 0.00 C ATOM 1683 O LEU A 106 -7.468 8.986 -9.642 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.245 6.323 -9.113 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.303 5.069 -8.232 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.019 3.809 -9.033 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.299 5.113 -7.083 1.00 0.00 C ATOM 0 H LEU A 106 -7.629 6.980 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.992 7.675 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.173 6.410 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.438 6.218 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.317 5.049 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.069 2.941 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.760 3.707 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.024 3.874 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.383 4.201 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.289 5.193 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.507 5.976 -6.451 1.00 0.00 H new ATOM 1699 N THR A 107 -5.267 9.582 -9.428 1.00 0.00 N ATOM 1700 CA THR A 107 -5.378 10.740 -10.308 1.00 0.00 C ATOM 1701 C THR A 107 -4.561 10.492 -11.573 1.00 0.00 C ATOM 1702 O THR A 107 -5.093 10.444 -12.675 1.00 0.00 O ATOM 1703 CB THR A 107 -4.934 12.039 -9.626 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.506 12.208 -9.280 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.645 12.127 -8.265 1.00 0.00 C ATOM 0 H THR A 107 -4.342 9.433 -9.025 1.00 0.00 H new ATOM 0 HA THR A 107 -6.430 10.867 -10.564 1.00 0.00 H new ATOM 0 HB THR A 107 -5.172 12.792 -10.377 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.398 13.002 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.346 13.044 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.724 12.132 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.369 11.268 -7.654 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.242 10.318 -11.331 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.325 10.024 -12.437 1.00 0.00 C ATOM 1715 C LEU A 108 -1.362 8.930 -11.999 1.00 0.00 C ATOM 1716 O LEU A 108 -0.540 9.248 -11.169 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.522 11.220 -12.932 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.401 12.238 -13.682 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.224 13.684 -13.207 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.080 12.114 -15.176 1.00 0.00 C ATOM 0 H LEU A 108 -2.807 10.375 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.949 9.712 -13.274 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.043 11.710 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.726 10.874 -13.591 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.445 12.003 -13.475 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.877 14.339 -13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.482 13.754 -12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.187 13.989 -13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.687 12.823 -15.739 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.024 12.329 -15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.300 11.101 -15.513 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.479 7.667 -12.531 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.623 6.498 -12.203 1.00 0.00 C ATOM 1734 C PRO A 109 0.848 6.631 -12.632 1.00 0.00 C ATOM 1735 O PRO A 109 1.393 5.806 -13.329 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.238 5.276 -12.920 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.437 5.822 -13.697 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.539 7.340 -13.449 1.00 0.00 C ATOM 0 HA PRO A 109 -0.603 6.405 -11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.516 4.809 -13.589 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.548 4.515 -12.204 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.320 5.620 -14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.353 5.325 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.432 7.895 -14.381 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.511 7.602 -13.031 1.00 0.00 H new ATOM 1746 N CYS A 110 1.483 7.705 -12.193 1.00 0.00 N ATOM 1747 CA CYS A 110 2.885 7.965 -12.514 1.00 0.00 C ATOM 1748 C CYS A 110 3.093 8.140 -14.043 1.00 0.00 C ATOM 1749 O CYS A 110 2.317 7.680 -14.872 1.00 0.00 O ATOM 1750 CB CYS A 110 3.778 6.844 -11.971 1.00 0.00 C ATOM 1751 SG CYS A 110 5.495 7.360 -11.721 1.00 0.00 S ATOM 0 H CYS A 110 1.049 8.419 -11.608 1.00 0.00 H new ATOM 0 HA CYS A 110 3.170 8.900 -12.032 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.370 6.489 -11.024 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.755 6.002 -12.663 1.00 0.00 H new ATOM 0 HG CYS A 110 5.947 6.843 -10.617 1.00 0.00 H new ATOM 1757 N VAL A 111 4.153 8.885 -14.363 1.00 0.00 N ATOM 1758 CA VAL A 111 4.485 9.107 -15.761 1.00 0.00 C ATOM 1759 C VAL A 111 5.159 7.840 -16.286 1.00 0.00 C ATOM 1760 O VAL A 111 5.749 7.080 -15.528 1.00 0.00 O ATOM 1761 CB VAL A 111 5.389 10.334 -15.918 1.00 0.00 C ATOM 1762 CG1 VAL A 111 4.613 11.624 -15.613 1.00 0.00 C ATOM 1763 CG2 VAL A 111 6.657 10.209 -15.055 1.00 0.00 C ATOM 0 H VAL A 111 4.777 9.331 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 111 3.584 9.310 -16.340 1.00 0.00 H new ATOM 0 HB VAL A 111 5.716 10.385 -16.957 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.274 12.483 -15.731 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.774 11.715 -16.302 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.240 11.591 -14.589 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.277 11.095 -15.189 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.376 10.118 -14.006 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.218 9.325 -15.358 1.00 0.00 H new ATOM 1773 N ASN A 112 5.011 7.655 -17.613 1.00 0.00 N ATOM 1774 CA ASN A 112 5.615 6.499 -18.274 1.00 0.00 C ATOM 1775 C ASN A 112 7.157 6.632 -18.239 1.00 0.00 C ATOM 1776 O ASN A 112 7.727 6.947 -17.205 1.00 0.00 O ATOM 1777 CB ASN A 112 5.054 6.376 -19.702 1.00 0.00 C ATOM 1778 CG ASN A 112 3.529 6.192 -19.701 1.00 0.00 C ATOM 1779 OD1 ASN A 112 2.826 6.537 -18.763 1.00 0.00 O ATOM 1780 ND2 ASN A 112 3.064 5.624 -20.821 1.00 0.00 N ATOM 0 H ASN A 112 4.490 8.279 -18.229 1.00 0.00 H new ATOM 0 HA ASN A 112 5.362 5.577 -17.750 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.312 7.268 -20.272 1.00 0.00 H new ATOM 0 HB3 ASN A 112 5.522 5.530 -20.205 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.064 5.455 -20.930 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.710 5.361 -21.565 1.00 0.00 H new ATOM 1787 N LEU A 113 7.808 6.375 -19.395 1.00 0.00 N ATOM 1788 CA LEU A 113 9.265 6.484 -19.460 1.00 0.00 C ATOM 1789 C LEU A 113 9.945 5.546 -18.450 1.00 0.00 C ATOM 1790 O LEU A 113 10.421 5.967 -17.403 1.00 0.00 O ATOM 1791 CB LEU A 113 9.706 7.938 -19.208 1.00 0.00 C ATOM 1792 CG LEU A 113 9.566 8.832 -20.443 1.00 0.00 C ATOM 1793 CD1 LEU A 113 9.236 10.275 -20.034 1.00 0.00 C ATOM 1794 CD2 LEU A 113 10.849 8.764 -21.287 1.00 0.00 C ATOM 0 H LEU A 113 7.356 6.099 -20.267 1.00 0.00 H new ATOM 0 HA LEU A 113 9.575 6.184 -20.461 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.112 8.356 -18.395 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.745 7.944 -18.879 1.00 0.00 H new ATOM 0 HG LEU A 113 8.738 8.470 -21.053 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.141 10.893 -20.927 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.297 10.291 -19.480 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.035 10.667 -19.405 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.742 9.403 -22.164 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.695 9.105 -20.691 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.021 7.736 -21.606 1.00 0.00 H new ATOM 1806 N ALA A 114 9.950 4.255 -18.830 1.00 0.00 N ATOM 1807 CA ALA A 114 10.579 3.268 -17.959 1.00 0.00 C ATOM 1808 C ALA A 114 12.120 3.372 -18.071 1.00 0.00 C ATOM 1809 O ALA A 114 12.650 3.110 -19.151 1.00 0.00 O ATOM 1810 CB ALA A 114 10.093 1.865 -18.342 1.00 0.00 C ATOM 1811 OXT ALA A 114 12.763 3.720 -17.081 1.00 0.00 O ATOM 0 H ALA A 114 9.545 3.891 -19.692 1.00 0.00 H new ATOM 0 HA ALA A 114 10.301 3.461 -16.923 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.563 1.127 -17.692 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.010 1.812 -18.229 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.360 1.658 -19.378 1.00 0.00 H new TER 1817 ALA A 114