USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 67 ASN : amide:sc= -0.667 K(o=-0.62,f=-7.1!) USER MOD Set 1.2: A 69 SER OG : rot -44:sc= 0.0458 USER MOD Set 2.1: A 15 THR OG1 : rot 63:sc= 1.2 USER MOD Set 2.2: A 53 GLN : amide:sc= 1.04 X(o=2.2,f=2.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 53:sc= 0.012 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -86:sc= 0.201 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 27:sc= -4.91! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 47 THR OG1 : rot -117:sc= 0.851 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -5.18! C(o=-5.2!,f=-4.7!) USER MOD Single : A 74 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.52) USER MOD Single : A 75 TYR OH : rot 66:sc= 0.997 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -136:sc= -1.62 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.320 -32.092 -3.726 1.00 0.00 N ATOM 2 CA GLY A 1 -15.362 -33.573 -3.590 1.00 0.00 C ATOM 3 C GLY A 1 -14.718 -34.057 -2.306 1.00 0.00 C ATOM 4 O GLY A 1 -15.401 -34.553 -1.410 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.773 -31.812 -4.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.827 -31.656 -2.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.331 -31.771 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.399 -33.908 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.854 -34.027 -4.441 1.00 0.00 H new ATOM 10 N SER A 2 -13.401 -33.912 -2.217 1.00 0.00 N ATOM 11 CA SER A 2 -12.663 -34.338 -1.033 1.00 0.00 C ATOM 12 C SER A 2 -11.313 -33.634 -0.950 1.00 0.00 C ATOM 13 O SER A 2 -10.428 -33.868 -1.773 1.00 0.00 O ATOM 14 CB SER A 2 -12.459 -35.855 -1.051 1.00 0.00 C ATOM 15 OG SER A 2 -12.580 -36.401 0.251 1.00 0.00 O ATOM 0 H SER A 2 -12.822 -33.503 -2.950 1.00 0.00 H new ATOM 0 HA SER A 2 -13.249 -34.067 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.193 -36.316 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.474 -36.088 -1.456 1.00 0.00 H new ATOM 0 HG SER A 2 -12.447 -37.371 0.212 1.00 0.00 H new ATOM 21 N SER A 3 -11.163 -32.769 0.047 1.00 0.00 N ATOM 22 CA SER A 3 -9.920 -32.030 0.237 1.00 0.00 C ATOM 23 C SER A 3 -9.599 -31.878 1.721 1.00 0.00 C ATOM 24 O SER A 3 -10.370 -32.307 2.580 1.00 0.00 O ATOM 25 CB SER A 3 -10.017 -30.652 -0.418 1.00 0.00 C ATOM 26 OG SER A 3 -11.050 -29.878 0.166 1.00 0.00 O ATOM 0 H SER A 3 -11.886 -32.562 0.736 1.00 0.00 H new ATOM 0 HA SER A 3 -9.115 -32.594 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.066 -30.130 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.204 -30.766 -1.486 1.00 0.00 H new ATOM 0 HG SER A 3 -11.089 -29.001 -0.270 1.00 0.00 H new ATOM 32 N GLY A 4 -8.457 -31.265 2.014 1.00 0.00 N ATOM 33 CA GLY A 4 -8.056 -31.067 3.394 1.00 0.00 C ATOM 34 C GLY A 4 -6.799 -30.228 3.518 1.00 0.00 C ATOM 35 O GLY A 4 -6.869 -29.000 3.576 1.00 0.00 O ATOM 0 H GLY A 4 -7.803 -30.902 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.867 -30.584 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.890 -32.037 3.864 1.00 0.00 H new ATOM 39 N SER A 5 -5.648 -30.890 3.559 1.00 0.00 N ATOM 40 CA SER A 5 -4.371 -30.197 3.676 1.00 0.00 C ATOM 41 C SER A 5 -3.401 -30.654 2.591 1.00 0.00 C ATOM 42 O SER A 5 -3.432 -31.809 2.163 1.00 0.00 O ATOM 43 CB SER A 5 -3.760 -30.441 5.058 1.00 0.00 C ATOM 44 OG SER A 5 -3.317 -31.780 5.190 1.00 0.00 O ATOM 0 H SER A 5 -5.573 -31.906 3.513 1.00 0.00 H new ATOM 0 HA SER A 5 -4.553 -29.130 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.923 -29.761 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.498 -30.221 5.829 1.00 0.00 H new ATOM 0 HG SER A 5 -2.929 -31.910 6.081 1.00 0.00 H new ATOM 50 N SER A 6 -2.541 -29.742 2.149 1.00 0.00 N ATOM 51 CA SER A 6 -1.563 -30.052 1.114 1.00 0.00 C ATOM 52 C SER A 6 -0.329 -30.717 1.714 1.00 0.00 C ATOM 53 O SER A 6 0.285 -31.585 1.091 1.00 0.00 O ATOM 54 CB SER A 6 -1.160 -28.780 0.366 1.00 0.00 C ATOM 55 OG SER A 6 -2.237 -28.277 -0.405 1.00 0.00 O ATOM 0 H SER A 6 -2.502 -28.782 2.492 1.00 0.00 H new ATOM 0 HA SER A 6 -2.022 -30.747 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.835 -28.023 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.311 -28.991 -0.284 1.00 0.00 H new ATOM 0 HG SER A 6 -1.953 -27.463 -0.871 1.00 0.00 H new ATOM 61 N GLY A 7 0.030 -30.306 2.925 1.00 0.00 N ATOM 62 CA GLY A 7 1.189 -30.872 3.589 1.00 0.00 C ATOM 63 C GLY A 7 2.350 -29.900 3.656 1.00 0.00 C ATOM 64 O GLY A 7 3.505 -30.288 3.482 1.00 0.00 O ATOM 0 H GLY A 7 -0.462 -29.590 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.914 -31.175 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.503 -31.772 3.061 1.00 0.00 H new ATOM 68 N LEU A 8 2.044 -28.632 3.910 1.00 0.00 N ATOM 69 CA LEU A 8 3.070 -27.600 4.000 1.00 0.00 C ATOM 70 C LEU A 8 2.715 -26.575 5.077 1.00 0.00 C ATOM 71 O LEU A 8 1.859 -25.716 4.866 1.00 0.00 O ATOM 72 CB LEU A 8 3.236 -26.899 2.650 1.00 0.00 C ATOM 73 CG LEU A 8 3.757 -27.789 1.519 1.00 0.00 C ATOM 74 CD1 LEU A 8 2.601 -28.443 0.780 1.00 0.00 C ATOM 75 CD2 LEU A 8 4.617 -26.981 0.560 1.00 0.00 C ATOM 0 H LEU A 8 1.093 -28.294 4.057 1.00 0.00 H new ATOM 0 HA LEU A 8 4.011 -28.078 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.273 -26.485 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.919 -26.059 2.775 1.00 0.00 H new ATOM 0 HG LEU A 8 4.374 -28.575 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.990 -29.072 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.025 -29.055 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.958 -27.672 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.979 -27.629 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.023 -26.174 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.466 -26.560 1.099 1.00 0.00 H new ATOM 87 N PRO A 9 3.368 -26.649 6.252 1.00 0.00 N ATOM 88 CA PRO A 9 3.108 -25.719 7.356 1.00 0.00 C ATOM 89 C PRO A 9 3.559 -24.298 7.035 1.00 0.00 C ATOM 90 O PRO A 9 2.823 -23.338 7.261 1.00 0.00 O ATOM 91 CB PRO A 9 3.932 -26.293 8.512 1.00 0.00 C ATOM 92 CG PRO A 9 5.009 -27.085 7.856 1.00 0.00 C ATOM 93 CD PRO A 9 4.405 -27.640 6.597 1.00 0.00 C ATOM 0 HA PRO A 9 2.043 -25.638 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.347 -25.500 9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.320 -26.919 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.873 -26.459 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.357 -27.886 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.147 -27.738 5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.978 -28.630 6.758 1.00 0.00 H new ATOM 101 N ASN A 10 4.771 -24.170 6.506 1.00 0.00 N ATOM 102 CA ASN A 10 5.317 -22.865 6.155 1.00 0.00 C ATOM 103 C ASN A 10 6.655 -23.009 5.434 1.00 0.00 C ATOM 104 O ASN A 10 7.289 -24.062 5.487 1.00 0.00 O ATOM 105 CB ASN A 10 5.491 -22.007 7.409 1.00 0.00 C ATOM 106 CG ASN A 10 5.496 -20.524 7.099 1.00 0.00 C ATOM 107 OD1 ASN A 10 6.447 -19.812 7.424 1.00 0.00 O ATOM 108 ND2 ASN A 10 4.429 -20.047 6.467 1.00 0.00 N ATOM 0 H ASN A 10 5.394 -24.954 6.311 1.00 0.00 H new ATOM 0 HA ASN A 10 4.613 -22.375 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.686 -22.226 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.425 -22.275 7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.376 -19.056 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.663 -20.672 6.216 1.00 0.00 H new ATOM 115 N SER A 11 7.075 -21.942 4.760 1.00 0.00 N ATOM 116 CA SER A 11 8.337 -21.950 4.028 1.00 0.00 C ATOM 117 C SER A 11 8.612 -20.584 3.406 1.00 0.00 C ATOM 118 O SER A 11 9.747 -20.109 3.405 1.00 0.00 O ATOM 119 CB SER A 11 8.313 -23.024 2.940 1.00 0.00 C ATOM 120 OG SER A 11 7.179 -22.878 2.103 1.00 0.00 O ATOM 0 H SER A 11 6.561 -21.063 4.706 1.00 0.00 H new ATOM 0 HA SER A 11 9.137 -22.176 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.221 -22.959 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.304 -24.012 3.400 1.00 0.00 H new ATOM 0 HG SER A 11 7.188 -23.576 1.415 1.00 0.00 H new ATOM 126 N ASP A 12 7.565 -19.960 2.876 1.00 0.00 N ATOM 127 CA ASP A 12 7.692 -18.648 2.251 1.00 0.00 C ATOM 128 C ASP A 12 6.320 -18.061 1.937 1.00 0.00 C ATOM 129 O ASP A 12 5.640 -18.506 1.012 1.00 0.00 O ATOM 130 CB ASP A 12 8.526 -18.751 0.971 1.00 0.00 C ATOM 131 CG ASP A 12 9.891 -18.108 1.115 1.00 0.00 C ATOM 132 OD1 ASP A 12 10.831 -18.805 1.553 1.00 0.00 O ATOM 133 OD2 ASP A 12 10.020 -16.909 0.792 1.00 0.00 O ATOM 0 H ASP A 12 6.619 -20.342 2.867 1.00 0.00 H new ATOM 0 HA ASP A 12 8.197 -17.983 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.649 -19.801 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.988 -18.275 0.151 1.00 0.00 H new ATOM 138 N HIS A 13 5.919 -17.059 2.711 1.00 0.00 N ATOM 139 CA HIS A 13 4.628 -16.411 2.515 1.00 0.00 C ATOM 140 C HIS A 13 4.627 -15.004 3.106 1.00 0.00 C ATOM 141 O HIS A 13 4.371 -14.026 2.403 1.00 0.00 O ATOM 142 CB HIS A 13 3.513 -17.247 3.150 1.00 0.00 C ATOM 143 CG HIS A 13 2.354 -17.489 2.234 1.00 0.00 C ATOM 144 ND1 HIS A 13 1.311 -16.605 2.066 1.00 0.00 N ATOM 145 CD2 HIS A 13 2.084 -18.545 1.426 1.00 0.00 C ATOM 146 CE1 HIS A 13 0.458 -17.140 1.180 1.00 0.00 C ATOM 147 NE2 HIS A 13 0.882 -18.316 0.762 1.00 0.00 N ATOM 0 H HIS A 13 6.470 -16.678 3.480 1.00 0.00 H new ATOM 0 HA HIS A 13 4.448 -16.333 1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 13 3.923 -18.206 3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.157 -16.742 4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.703 -19.423 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.457 -16.669 0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.424 -18.932 0.090 1.00 0.00 H new ATOM 155 N THR A 14 4.915 -14.910 4.399 1.00 0.00 N ATOM 156 CA THR A 14 4.946 -13.622 5.084 1.00 0.00 C ATOM 157 C THR A 14 6.382 -13.178 5.342 1.00 0.00 C ATOM 158 O THR A 14 6.954 -13.471 6.391 1.00 0.00 O ATOM 159 CB THR A 14 4.181 -13.705 6.405 1.00 0.00 C ATOM 160 OG1 THR A 14 4.407 -14.952 7.040 1.00 0.00 O ATOM 161 CG2 THR A 14 2.685 -13.539 6.241 1.00 0.00 C ATOM 0 H THR A 14 5.130 -15.710 4.994 1.00 0.00 H new ATOM 0 HA THR A 14 4.467 -12.885 4.440 1.00 0.00 H new ATOM 0 HB THR A 14 4.559 -12.880 7.009 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.371 -15.110 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.202 -13.608 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.473 -12.565 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.301 -14.324 5.589 1.00 0.00 H new ATOM 169 N THR A 15 6.958 -12.467 4.377 1.00 0.00 N ATOM 170 CA THR A 15 8.327 -11.980 4.499 1.00 0.00 C ATOM 171 C THR A 15 8.362 -10.455 4.529 1.00 0.00 C ATOM 172 O THR A 15 8.680 -9.812 3.530 1.00 0.00 O ATOM 173 CB THR A 15 9.180 -12.499 3.340 1.00 0.00 C ATOM 174 OG1 THR A 15 8.424 -12.548 2.144 1.00 0.00 O ATOM 175 CG2 THR A 15 9.744 -13.882 3.585 1.00 0.00 C ATOM 0 H THR A 15 6.498 -12.216 3.502 1.00 0.00 H new ATOM 0 HA THR A 15 8.736 -12.353 5.438 1.00 0.00 H new ATOM 0 HB THR A 15 10.009 -11.797 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.140 -11.643 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.339 -14.190 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.374 -13.866 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.926 -14.588 3.732 1.00 0.00 H new ATOM 183 N SER A 16 8.032 -9.883 5.683 1.00 0.00 N ATOM 184 CA SER A 16 8.026 -8.434 5.844 1.00 0.00 C ATOM 185 C SER A 16 9.117 -7.989 6.812 1.00 0.00 C ATOM 186 O SER A 16 9.715 -6.927 6.645 1.00 0.00 O ATOM 187 CB SER A 16 6.660 -7.961 6.344 1.00 0.00 C ATOM 188 OG SER A 16 6.495 -8.247 7.723 1.00 0.00 O ATOM 0 H SER A 16 7.765 -10.401 6.520 1.00 0.00 H new ATOM 0 HA SER A 16 8.224 -7.985 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.559 -6.889 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.871 -8.448 5.771 1.00 0.00 H new ATOM 0 HG SER A 16 5.615 -7.934 8.019 1.00 0.00 H new ATOM 194 N ARG A 17 9.370 -8.810 7.827 1.00 0.00 N ATOM 195 CA ARG A 17 10.390 -8.501 8.823 1.00 0.00 C ATOM 196 C ARG A 17 11.781 -8.509 8.198 1.00 0.00 C ATOM 197 O ARG A 17 12.672 -7.780 8.633 1.00 0.00 O ATOM 198 CB ARG A 17 10.329 -9.508 9.974 1.00 0.00 C ATOM 199 CG ARG A 17 9.341 -9.125 11.064 1.00 0.00 C ATOM 200 CD ARG A 17 8.008 -9.832 10.882 1.00 0.00 C ATOM 201 NE ARG A 17 7.884 -11.001 11.748 1.00 0.00 N ATOM 202 CZ ARG A 17 7.577 -10.935 13.042 1.00 0.00 C ATOM 203 NH1 ARG A 17 7.365 -9.761 13.623 1.00 0.00 N ATOM 204 NH2 ARG A 17 7.483 -12.047 13.758 1.00 0.00 N ATOM 0 H ARG A 17 8.883 -9.693 7.981 1.00 0.00 H new ATOM 0 HA ARG A 17 10.192 -7.502 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.058 -10.486 9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.322 -9.606 10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.758 -9.378 12.039 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.186 -8.046 11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.197 -9.136 11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.900 -10.139 9.842 1.00 0.00 H new ATOM 0 HE ARG A 17 8.042 -11.922 11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.437 -8.902 13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.130 -9.718 14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.646 -12.952 13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.248 -11.997 14.749 1.00 0.00 H new ATOM 218 N ALA A 18 11.961 -9.340 7.175 1.00 0.00 N ATOM 219 CA ALA A 18 13.243 -9.442 6.490 1.00 0.00 C ATOM 220 C ALA A 18 13.322 -8.460 5.325 1.00 0.00 C ATOM 221 O ALA A 18 14.363 -7.849 5.084 1.00 0.00 O ATOM 222 CB ALA A 18 13.467 -10.864 6.001 1.00 0.00 C ATOM 0 H ALA A 18 11.234 -9.952 6.803 1.00 0.00 H new ATOM 0 HA ALA A 18 14.029 -9.186 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.428 -10.926 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.462 -11.546 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.671 -11.141 5.310 1.00 0.00 H new ATOM 228 N MET A 19 12.214 -8.314 4.605 1.00 0.00 N ATOM 229 CA MET A 19 12.158 -7.408 3.465 1.00 0.00 C ATOM 230 C MET A 19 12.355 -5.962 3.909 1.00 0.00 C ATOM 231 O MET A 19 13.112 -5.211 3.293 1.00 0.00 O ATOM 232 CB MET A 19 10.819 -7.553 2.738 1.00 0.00 C ATOM 233 CG MET A 19 10.837 -8.600 1.635 1.00 0.00 C ATOM 234 SD MET A 19 10.233 -7.965 0.058 1.00 0.00 S ATOM 235 CE MET A 19 10.717 -9.289 -1.048 1.00 0.00 C ATOM 0 H MET A 19 11.343 -8.812 4.791 1.00 0.00 H new ATOM 0 HA MET A 19 12.965 -7.672 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.048 -7.814 3.463 1.00 0.00 H new ATOM 0 HB3 MET A 19 10.541 -6.590 2.309 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.855 -8.969 1.507 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.225 -9.450 1.937 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.412 -9.043 -2.065 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.799 -9.414 -1.014 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.235 -10.216 -0.738 1.00 0.00 H new ATOM 245 N LEU A 20 11.669 -5.579 4.980 1.00 0.00 N ATOM 246 CA LEU A 20 11.769 -4.223 5.507 1.00 0.00 C ATOM 247 C LEU A 20 13.200 -3.905 5.926 1.00 0.00 C ATOM 248 O LEU A 20 13.642 -2.758 5.844 1.00 0.00 O ATOM 249 CB LEU A 20 10.824 -4.044 6.698 1.00 0.00 C ATOM 250 CG LEU A 20 9.358 -3.806 6.333 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.453 -4.154 7.505 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.145 -2.363 5.902 1.00 0.00 C ATOM 0 H LEU A 20 11.038 -6.188 5.500 1.00 0.00 H new ATOM 0 HA LEU A 20 11.480 -3.531 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.886 -4.932 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.174 -3.203 7.297 1.00 0.00 H new ATOM 0 HG LEU A 20 9.100 -4.456 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.414 -3.978 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.586 -5.203 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.710 -3.530 8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.097 -2.211 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.420 -1.695 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.766 -2.148 5.032 1.00 0.00 H new ATOM 264 N THR A 21 13.920 -4.926 6.378 1.00 0.00 N ATOM 265 CA THR A 21 15.301 -4.756 6.812 1.00 0.00 C ATOM 266 C THR A 21 16.236 -4.629 5.613 1.00 0.00 C ATOM 267 O THR A 21 17.231 -3.905 5.662 1.00 0.00 O ATOM 268 CB THR A 21 15.731 -5.933 7.689 1.00 0.00 C ATOM 269 OG1 THR A 21 14.890 -7.053 7.475 1.00 0.00 O ATOM 270 CG2 THR A 21 15.705 -5.617 9.169 1.00 0.00 C ATOM 0 H THR A 21 13.569 -5.881 6.453 1.00 0.00 H new ATOM 0 HA THR A 21 15.362 -3.837 7.396 1.00 0.00 H new ATOM 0 HB THR A 21 16.759 -6.149 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.099 -6.983 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.021 -6.494 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.383 -4.789 9.376 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.693 -5.340 9.464 1.00 0.00 H new ATOM 278 N SER A 22 15.910 -5.336 4.535 1.00 0.00 N ATOM 279 CA SER A 22 16.721 -5.301 3.325 1.00 0.00 C ATOM 280 C SER A 22 16.619 -3.943 2.639 1.00 0.00 C ATOM 281 O SER A 22 17.628 -3.347 2.265 1.00 0.00 O ATOM 282 CB SER A 22 16.285 -6.407 2.361 1.00 0.00 C ATOM 283 OG SER A 22 17.294 -6.677 1.404 1.00 0.00 O ATOM 0 H SER A 22 15.090 -5.940 4.476 1.00 0.00 H new ATOM 0 HA SER A 22 17.760 -5.466 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.059 -7.314 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.368 -6.110 1.853 1.00 0.00 H new ATOM 0 HG SER A 22 16.991 -7.388 0.801 1.00 0.00 H new ATOM 289 N LEU A 23 15.391 -3.459 2.479 1.00 0.00 N ATOM 290 CA LEU A 23 15.156 -2.170 1.838 1.00 0.00 C ATOM 291 C LEU A 23 15.447 -1.023 2.800 1.00 0.00 C ATOM 292 O LEU A 23 16.034 -0.012 2.417 1.00 0.00 O ATOM 293 CB LEU A 23 13.711 -2.079 1.343 1.00 0.00 C ATOM 294 CG LEU A 23 13.213 -3.299 0.566 1.00 0.00 C ATOM 295 CD1 LEU A 23 11.766 -3.107 0.140 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.099 -3.556 -0.644 1.00 0.00 C ATOM 0 H LEU A 23 14.544 -3.939 2.784 1.00 0.00 H new ATOM 0 HA LEU A 23 15.832 -2.088 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.058 -1.923 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.616 -1.199 0.707 1.00 0.00 H new ATOM 0 HG LEU A 23 13.263 -4.169 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.429 -3.985 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.142 -2.972 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.688 -2.226 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.731 -4.427 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.080 -2.686 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.122 -3.739 -0.314 1.00 0.00 H new ATOM 308 N GLY A 24 15.033 -1.188 4.052 1.00 0.00 N ATOM 309 CA GLY A 24 15.258 -0.158 5.049 1.00 0.00 C ATOM 310 C GLY A 24 14.110 0.827 5.133 1.00 0.00 C ATOM 311 O GLY A 24 14.318 2.041 5.079 1.00 0.00 O ATOM 0 H GLY A 24 14.546 -2.016 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.404 -0.625 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.177 0.379 4.812 1.00 0.00 H new ATOM 315 N LEU A 25 12.894 0.307 5.264 1.00 0.00 N ATOM 316 CA LEU A 25 11.706 1.149 5.354 1.00 0.00 C ATOM 317 C LEU A 25 10.860 0.769 6.565 1.00 0.00 C ATOM 318 O LEU A 25 11.126 -0.232 7.231 1.00 0.00 O ATOM 319 CB LEU A 25 10.874 1.028 4.077 1.00 0.00 C ATOM 320 CG LEU A 25 11.656 1.211 2.776 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.066 0.349 1.671 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.666 2.675 2.363 1.00 0.00 C ATOM 0 H LEU A 25 12.705 -0.694 5.310 1.00 0.00 H new ATOM 0 HA LEU A 25 12.031 2.183 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.399 0.047 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.075 1.769 4.110 1.00 0.00 H new ATOM 0 HG LEU A 25 12.685 0.893 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.636 0.493 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.110 -0.700 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.028 0.635 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.227 2.787 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.642 3.017 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.136 3.271 3.146 1.00 0.00 H new ATOM 334 N LYS A 26 9.841 1.574 6.844 1.00 0.00 N ATOM 335 CA LYS A 26 8.956 1.322 7.975 1.00 0.00 C ATOM 336 C LYS A 26 7.593 1.973 7.756 1.00 0.00 C ATOM 337 O LYS A 26 7.443 2.849 6.905 1.00 0.00 O ATOM 338 CB LYS A 26 9.587 1.844 9.269 1.00 0.00 C ATOM 339 CG LYS A 26 9.882 0.752 10.285 1.00 0.00 C ATOM 340 CD LYS A 26 9.190 1.021 11.613 1.00 0.00 C ATOM 341 CE LYS A 26 10.068 1.845 12.542 1.00 0.00 C ATOM 342 NZ LYS A 26 9.385 2.147 13.830 1.00 0.00 N ATOM 0 H LYS A 26 9.607 2.406 6.303 1.00 0.00 H new ATOM 0 HA LYS A 26 8.812 0.245 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.514 2.364 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.918 2.577 9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.554 -0.210 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.958 0.682 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.252 1.547 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.939 0.075 12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.994 1.305 12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.342 2.778 12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.017 2.710 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.515 2.685 13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.146 1.258 14.313 1.00 0.00 H new ATOM 356 N LEU A 27 6.604 1.539 8.531 1.00 0.00 N ATOM 357 CA LEU A 27 5.255 2.080 8.422 1.00 0.00 C ATOM 358 C LEU A 27 5.194 3.504 8.965 1.00 0.00 C ATOM 359 O LEU A 27 5.460 3.741 10.144 1.00 0.00 O ATOM 360 CB LEU A 27 4.263 1.191 9.175 1.00 0.00 C ATOM 361 CG LEU A 27 4.336 -0.298 8.831 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.527 -1.116 9.825 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.844 -0.539 7.412 1.00 0.00 C ATOM 0 H LEU A 27 6.712 0.815 9.241 1.00 0.00 H new ATOM 0 HA LEU A 27 4.984 2.101 7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.432 1.310 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.253 1.546 8.971 1.00 0.00 H new ATOM 0 HG LEU A 27 5.376 -0.617 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.591 -2.172 9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.924 -0.965 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.485 -0.797 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.902 -1.603 7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.810 -0.205 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.466 0.018 6.712 1.00 0.00 H new ATOM 375 N GLY A 28 4.843 4.449 8.100 1.00 0.00 N ATOM 376 CA GLY A 28 4.755 5.837 8.511 1.00 0.00 C ATOM 377 C GLY A 28 5.874 6.684 7.938 1.00 0.00 C ATOM 378 O GLY A 28 6.279 7.679 8.539 1.00 0.00 O ATOM 0 H GLY A 28 4.618 4.278 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.795 6.246 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.782 5.893 9.599 1.00 0.00 H new ATOM 382 N ASP A 29 6.375 6.289 6.773 1.00 0.00 N ATOM 383 CA ASP A 29 7.454 7.017 6.117 1.00 0.00 C ATOM 384 C ASP A 29 7.154 7.219 4.635 1.00 0.00 C ATOM 385 O ASP A 29 6.283 6.554 4.073 1.00 0.00 O ATOM 386 CB ASP A 29 8.777 6.268 6.284 1.00 0.00 C ATOM 387 CG ASP A 29 9.364 6.431 7.673 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.796 7.554 8.007 1.00 0.00 O ATOM 389 OD2 ASP A 29 9.391 5.435 8.426 1.00 0.00 O ATOM 0 H ASP A 29 6.050 5.467 6.263 1.00 0.00 H new ATOM 0 HA ASP A 29 7.536 7.996 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.619 5.209 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.492 6.631 5.546 1.00 0.00 H new ATOM 394 N ARG A 30 7.880 8.139 4.009 1.00 0.00 N ATOM 395 CA ARG A 30 7.692 8.427 2.593 1.00 0.00 C ATOM 396 C ARG A 30 8.319 7.338 1.728 1.00 0.00 C ATOM 397 O ARG A 30 9.467 6.947 1.943 1.00 0.00 O ATOM 398 CB ARG A 30 8.300 9.787 2.243 1.00 0.00 C ATOM 399 CG ARG A 30 7.297 10.932 2.285 1.00 0.00 C ATOM 400 CD ARG A 30 7.003 11.474 0.894 1.00 0.00 C ATOM 401 NE ARG A 30 7.487 12.843 0.726 1.00 0.00 N ATOM 402 CZ ARG A 30 6.815 13.923 1.122 1.00 0.00 C ATOM 403 NH1 ARG A 30 5.633 13.800 1.713 1.00 0.00 N ATOM 404 NH2 ARG A 30 7.327 15.130 0.928 1.00 0.00 N ATOM 0 H ARG A 30 8.604 8.698 4.461 1.00 0.00 H new ATOM 0 HA ARG A 30 6.621 8.453 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.113 10.002 2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.737 9.734 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.371 10.588 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.686 11.733 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.470 10.830 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.929 11.445 0.713 1.00 0.00 H new ATOM 0 HE ARG A 30 8.394 12.980 0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.234 12.874 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.124 14.631 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.235 15.232 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.813 15.957 1.231 1.00 0.00 H new ATOM 418 N VAL A 31 7.560 6.851 0.753 1.00 0.00 N ATOM 419 CA VAL A 31 8.042 5.806 -0.142 1.00 0.00 C ATOM 420 C VAL A 31 7.800 6.176 -1.602 1.00 0.00 C ATOM 421 O VAL A 31 7.249 7.236 -1.901 1.00 0.00 O ATOM 422 CB VAL A 31 7.363 4.456 0.153 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.884 3.868 1.456 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.851 4.619 0.200 1.00 0.00 C ATOM 0 H VAL A 31 6.608 7.163 0.562 1.00 0.00 H new ATOM 0 HA VAL A 31 9.114 5.711 0.033 1.00 0.00 H new ATOM 0 HB VAL A 31 7.607 3.764 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.392 2.914 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.960 3.713 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.673 4.555 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.387 3.655 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.586 5.327 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.495 4.992 -0.761 1.00 0.00 H new ATOM 434 N VAL A 32 8.215 5.295 -2.506 1.00 0.00 N ATOM 435 CA VAL A 32 8.044 5.529 -3.935 1.00 0.00 C ATOM 436 C VAL A 32 7.732 4.229 -4.671 1.00 0.00 C ATOM 437 O VAL A 32 8.486 3.259 -4.584 1.00 0.00 O ATOM 438 CB VAL A 32 9.301 6.173 -4.553 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.505 5.256 -4.400 1.00 0.00 C ATOM 440 CG2 VAL A 32 9.065 6.517 -6.016 1.00 0.00 C ATOM 0 H VAL A 32 8.672 4.413 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 32 7.204 6.215 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 32 9.510 7.099 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.381 5.729 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.689 5.070 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.309 4.311 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.964 6.970 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.827 5.609 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.235 7.219 -6.095 1.00 0.00 H new ATOM 450 N ILE A 33 6.618 4.216 -5.395 1.00 0.00 N ATOM 451 CA ILE A 33 6.208 3.036 -6.146 1.00 0.00 C ATOM 452 C ILE A 33 6.964 2.933 -7.466 1.00 0.00 C ATOM 453 O ILE A 33 6.779 3.753 -8.366 1.00 0.00 O ATOM 454 CB ILE A 33 4.696 3.051 -6.436 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.912 3.358 -5.159 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.256 1.720 -7.027 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.442 3.627 -5.402 1.00 0.00 C ATOM 0 H ILE A 33 5.983 5.010 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 33 6.444 2.171 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 33 4.489 3.835 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.011 2.518 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.356 4.225 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.185 1.747 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.794 1.540 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.474 0.919 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.949 3.837 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.334 4.485 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.983 2.752 -5.863 1.00 0.00 H new ATOM 469 N ALA A 34 7.818 1.920 -7.576 1.00 0.00 N ATOM 470 CA ALA A 34 8.602 1.707 -8.787 1.00 0.00 C ATOM 471 C ALA A 34 9.472 2.920 -9.100 1.00 0.00 C ATOM 472 O ALA A 34 9.769 3.200 -10.261 1.00 0.00 O ATOM 473 CB ALA A 34 7.685 1.396 -9.961 1.00 0.00 C ATOM 0 H ALA A 34 7.985 1.233 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 34 9.261 0.855 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.283 1.239 -10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.111 0.495 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.003 2.231 -10.121 1.00 0.00 H new ATOM 479 N GLY A 35 9.878 3.637 -8.057 1.00 0.00 N ATOM 480 CA GLY A 35 10.711 4.811 -8.242 1.00 0.00 C ATOM 481 C GLY A 35 10.059 5.853 -9.129 1.00 0.00 C ATOM 482 O GLY A 35 10.746 6.624 -9.800 1.00 0.00 O ATOM 0 H GLY A 35 9.645 3.426 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.931 5.253 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.663 4.511 -8.679 1.00 0.00 H new ATOM 486 N GLN A 36 8.731 5.875 -9.135 1.00 0.00 N ATOM 487 CA GLN A 36 7.986 6.830 -9.948 1.00 0.00 C ATOM 488 C GLN A 36 6.973 7.592 -9.099 1.00 0.00 C ATOM 489 O GLN A 36 7.149 8.778 -8.820 1.00 0.00 O ATOM 490 CB GLN A 36 7.270 6.110 -11.092 1.00 0.00 C ATOM 491 CG GLN A 36 8.215 5.541 -12.138 1.00 0.00 C ATOM 492 CD GLN A 36 7.516 5.229 -13.446 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.754 4.267 -13.543 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.773 6.044 -14.463 1.00 0.00 N ATOM 0 H GLN A 36 8.148 5.243 -8.586 1.00 0.00 H new ATOM 0 HA GLN A 36 8.695 7.544 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.667 5.301 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.583 6.805 -11.575 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.020 6.253 -12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.675 4.632 -11.750 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.411 6.830 -14.338 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.332 5.884 -15.369 1.00 0.00 H new ATOM 503 N LYS A 37 5.913 6.904 -8.690 1.00 0.00 N ATOM 504 CA LYS A 37 4.872 7.514 -7.873 1.00 0.00 C ATOM 505 C LYS A 37 5.363 7.738 -6.447 1.00 0.00 C ATOM 506 O LYS A 37 6.115 6.929 -5.904 1.00 0.00 O ATOM 507 CB LYS A 37 3.620 6.634 -7.862 1.00 0.00 C ATOM 508 CG LYS A 37 3.094 6.310 -9.251 1.00 0.00 C ATOM 509 CD LYS A 37 1.936 5.327 -9.193 1.00 0.00 C ATOM 510 CE LYS A 37 0.690 5.968 -8.604 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.007 6.837 -9.591 1.00 0.00 N ATOM 0 H LYS A 37 5.752 5.921 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 37 4.623 8.481 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.844 5.703 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.837 7.137 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.769 7.228 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.898 5.892 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.718 4.960 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.221 4.463 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.009 5.189 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.964 6.559 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.851 7.255 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.634 7.595 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.292 6.268 -10.414 1.00 0.00 H new ATOM 525 N VAL A 38 4.933 8.843 -5.845 1.00 0.00 N ATOM 526 CA VAL A 38 5.330 9.174 -4.482 1.00 0.00 C ATOM 527 C VAL A 38 4.145 9.072 -3.526 1.00 0.00 C ATOM 528 O VAL A 38 3.006 9.343 -3.902 1.00 0.00 O ATOM 529 CB VAL A 38 5.923 10.593 -4.398 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.470 10.864 -3.004 1.00 0.00 C ATOM 531 CG2 VAL A 38 7.008 10.783 -5.449 1.00 0.00 C ATOM 0 H VAL A 38 4.310 9.523 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 38 6.093 8.453 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 38 5.126 11.310 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.884 11.871 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.666 10.774 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.252 10.141 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.415 11.791 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.805 10.057 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.583 10.636 -6.442 1.00 0.00 H new ATOM 541 N GLY A 39 4.424 8.679 -2.287 1.00 0.00 N ATOM 542 CA GLY A 39 3.372 8.547 -1.296 1.00 0.00 C ATOM 543 C GLY A 39 3.908 8.195 0.078 1.00 0.00 C ATOM 544 O GLY A 39 5.121 8.147 0.284 1.00 0.00 O ATOM 0 H GLY A 39 5.360 8.450 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.815 9.482 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.670 7.777 -1.617 1.00 0.00 H new ATOM 548 N THR A 40 3.003 7.949 1.019 1.00 0.00 N ATOM 549 CA THR A 40 3.392 7.601 2.381 1.00 0.00 C ATOM 550 C THR A 40 3.004 6.161 2.706 1.00 0.00 C ATOM 551 O THR A 40 1.821 5.825 2.769 1.00 0.00 O ATOM 552 CB THR A 40 2.736 8.555 3.382 1.00 0.00 C ATOM 553 OG1 THR A 40 2.297 9.737 2.737 1.00 0.00 O ATOM 554 CG2 THR A 40 3.658 8.965 4.510 1.00 0.00 C ATOM 0 H THR A 40 1.995 7.984 0.864 1.00 0.00 H new ATOM 0 HA THR A 40 4.475 7.694 2.457 1.00 0.00 H new ATOM 0 HB THR A 40 1.897 7.999 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.879 10.332 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.131 9.641 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.976 8.079 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.532 9.470 4.100 1.00 0.00 H new ATOM 562 N LEU A 41 4.008 5.314 2.908 1.00 0.00 N ATOM 563 CA LEU A 41 3.770 3.911 3.226 1.00 0.00 C ATOM 564 C LEU A 41 2.997 3.771 4.534 1.00 0.00 C ATOM 565 O LEU A 41 3.403 4.304 5.566 1.00 0.00 O ATOM 566 CB LEU A 41 5.096 3.153 3.320 1.00 0.00 C ATOM 567 CG LEU A 41 4.972 1.676 3.695 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.263 0.904 2.594 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.345 1.079 3.969 1.00 0.00 C ATOM 0 H LEU A 41 4.993 5.574 2.857 1.00 0.00 H new ATOM 0 HA LEU A 41 3.171 3.481 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.608 3.227 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.728 3.648 4.057 1.00 0.00 H new ATOM 0 HG LEU A 41 4.377 1.600 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.184 -0.145 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.265 1.316 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.831 0.987 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.238 0.027 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.965 1.167 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.817 1.615 4.793 1.00 0.00 H new ATOM 581 N ARG A 42 1.881 3.051 4.481 1.00 0.00 N ATOM 582 CA ARG A 42 1.051 2.839 5.661 1.00 0.00 C ATOM 583 C ARG A 42 0.994 1.360 6.027 1.00 0.00 C ATOM 584 O ARG A 42 1.033 1.000 7.204 1.00 0.00 O ATOM 585 CB ARG A 42 -0.363 3.370 5.417 1.00 0.00 C ATOM 586 CG ARG A 42 -0.400 4.832 5.001 1.00 0.00 C ATOM 587 CD ARG A 42 -0.061 5.751 6.163 1.00 0.00 C ATOM 588 NE ARG A 42 -0.852 6.980 6.137 1.00 0.00 N ATOM 589 CZ ARG A 42 -0.791 7.922 7.076 1.00 0.00 C ATOM 590 NH1 ARG A 42 0.022 7.779 8.116 1.00 0.00 N ATOM 591 NH2 ARG A 42 -1.543 9.008 6.974 1.00 0.00 N ATOM 0 H ARG A 42 1.531 2.605 3.633 1.00 0.00 H new ATOM 0 HA ARG A 42 1.499 3.384 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.840 2.768 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.951 3.244 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.306 4.998 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.391 5.078 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.236 5.227 7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.999 6.001 6.130 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.488 7.124 5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.603 6.945 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.065 8.503 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.168 9.122 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.497 9.730 7.693 1.00 0.00 H new ATOM 605 N PHE A 43 0.902 0.507 5.011 1.00 0.00 N ATOM 606 CA PHE A 43 0.839 -0.934 5.226 1.00 0.00 C ATOM 607 C PHE A 43 1.879 -1.655 4.374 1.00 0.00 C ATOM 608 O PHE A 43 2.320 -1.141 3.346 1.00 0.00 O ATOM 609 CB PHE A 43 -0.560 -1.460 4.897 1.00 0.00 C ATOM 610 CG PHE A 43 -0.719 -2.934 5.132 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.424 -3.845 4.131 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.164 -3.409 6.356 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.570 -5.202 4.345 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.312 -4.765 6.576 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.015 -5.664 5.569 1.00 0.00 C ATOM 0 H PHE A 43 0.869 0.789 4.031 1.00 0.00 H new ATOM 0 HA PHE A 43 1.055 -1.130 6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.292 -0.923 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.785 -1.241 3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.076 -3.490 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.398 -2.711 7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.336 -5.902 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.660 -5.122 7.534 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.130 -6.724 5.738 1.00 0.00 H new ATOM 625 N CYS A 44 2.269 -2.849 4.809 1.00 0.00 N ATOM 626 CA CYS A 44 3.258 -3.641 4.088 1.00 0.00 C ATOM 627 C CYS A 44 3.173 -5.111 4.483 1.00 0.00 C ATOM 628 O CYS A 44 3.301 -5.458 5.657 1.00 0.00 O ATOM 629 CB CYS A 44 4.666 -3.108 4.360 1.00 0.00 C ATOM 630 SG CYS A 44 5.148 -3.153 6.101 1.00 0.00 S ATOM 0 H CYS A 44 1.915 -3.289 5.658 1.00 0.00 H new ATOM 0 HA CYS A 44 3.045 -3.558 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.382 -3.691 3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.729 -2.080 4.003 1.00 0.00 H new ATOM 0 HG CYS A 44 4.504 -4.107 6.705 1.00 0.00 H new ATOM 636 N GLY A 45 2.956 -5.973 3.494 1.00 0.00 N ATOM 637 CA GLY A 45 2.858 -7.396 3.759 1.00 0.00 C ATOM 638 C GLY A 45 2.082 -8.134 2.686 1.00 0.00 C ATOM 639 O GLY A 45 2.026 -7.694 1.538 1.00 0.00 O ATOM 0 H GLY A 45 2.846 -5.711 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.860 -7.818 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.374 -7.550 4.724 1.00 0.00 H new ATOM 643 N THR A 46 1.482 -9.259 3.060 1.00 0.00 N ATOM 644 CA THR A 46 0.704 -10.060 2.121 1.00 0.00 C ATOM 645 C THR A 46 -0.748 -9.596 2.082 1.00 0.00 C ATOM 646 O THR A 46 -1.255 -9.028 3.050 1.00 0.00 O ATOM 647 CB THR A 46 0.770 -11.539 2.503 1.00 0.00 C ATOM 648 OG1 THR A 46 0.704 -11.696 3.909 1.00 0.00 O ATOM 649 CG2 THR A 46 2.029 -12.226 2.022 1.00 0.00 C ATOM 0 H THR A 46 1.519 -9.637 4.007 1.00 0.00 H new ATOM 0 HA THR A 46 1.134 -9.930 1.128 1.00 0.00 H new ATOM 0 HB THR A 46 -0.086 -12.003 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.746 -12.649 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.012 -13.272 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.084 -12.165 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.900 -11.736 2.457 1.00 0.00 H new ATOM 657 N THR A 47 -1.413 -9.842 0.958 1.00 0.00 N ATOM 658 CA THR A 47 -2.807 -9.450 0.794 1.00 0.00 C ATOM 659 C THR A 47 -3.721 -10.671 0.801 1.00 0.00 C ATOM 660 O THR A 47 -3.263 -11.800 0.976 1.00 0.00 O ATOM 661 CB THR A 47 -2.989 -8.673 -0.512 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.499 -9.418 -1.612 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.285 -7.334 -0.513 1.00 0.00 C ATOM 0 H THR A 47 -1.009 -10.311 0.148 1.00 0.00 H new ATOM 0 HA THR A 47 -3.079 -8.810 1.633 1.00 0.00 H new ATOM 0 HB THR A 47 -4.062 -8.502 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.751 -8.938 -2.025 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.454 -6.835 -1.467 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.678 -6.716 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.215 -7.485 -0.367 1.00 0.00 H new ATOM 671 N GLU A 48 -5.016 -10.436 0.612 1.00 0.00 N ATOM 672 CA GLU A 48 -5.994 -11.518 0.597 1.00 0.00 C ATOM 673 C GLU A 48 -6.800 -11.505 -0.698 1.00 0.00 C ATOM 674 O GLU A 48 -7.993 -11.806 -0.702 1.00 0.00 O ATOM 675 CB GLU A 48 -6.935 -11.399 1.798 1.00 0.00 C ATOM 676 CG GLU A 48 -6.228 -11.519 3.138 1.00 0.00 C ATOM 677 CD GLU A 48 -7.163 -11.945 4.253 1.00 0.00 C ATOM 678 OE1 GLU A 48 -7.492 -13.148 4.325 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.566 -11.076 5.055 1.00 0.00 O ATOM 0 H GLU A 48 -5.412 -9.507 0.467 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.454 -12.463 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.449 -10.439 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.699 -12.173 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.416 -12.242 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.776 -10.561 3.394 1.00 0.00 H new ATOM 686 N PHE A 49 -6.139 -11.155 -1.797 1.00 0.00 N ATOM 687 CA PHE A 49 -6.793 -11.104 -3.099 1.00 0.00 C ATOM 688 C PHE A 49 -5.766 -11.156 -4.226 1.00 0.00 C ATOM 689 O PHE A 49 -5.923 -11.908 -5.188 1.00 0.00 O ATOM 690 CB PHE A 49 -7.637 -9.834 -3.220 1.00 0.00 C ATOM 691 CG PHE A 49 -6.831 -8.569 -3.154 1.00 0.00 C ATOM 692 CD1 PHE A 49 -6.395 -8.072 -1.936 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.508 -7.877 -4.310 1.00 0.00 C ATOM 694 CE1 PHE A 49 -5.652 -6.909 -1.872 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.766 -6.712 -4.252 1.00 0.00 C ATOM 696 CZ PHE A 49 -5.337 -6.227 -3.032 1.00 0.00 C ATOM 0 H PHE A 49 -5.151 -10.903 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.444 -11.974 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.183 -9.859 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.380 -9.824 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.639 -8.600 -1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.840 -8.252 -5.267 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.318 -6.533 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.522 -6.181 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.757 -5.317 -2.985 1.00 0.00 H new ATOM 706 N ALA A 50 -4.716 -10.352 -4.099 1.00 0.00 N ATOM 707 CA ALA A 50 -3.663 -10.305 -5.106 1.00 0.00 C ATOM 708 C ALA A 50 -2.642 -11.417 -4.885 1.00 0.00 C ATOM 709 O ALA A 50 -2.013 -11.891 -5.832 1.00 0.00 O ATOM 710 CB ALA A 50 -2.979 -8.947 -5.091 1.00 0.00 C ATOM 0 H ALA A 50 -4.572 -9.724 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.121 -10.458 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.195 -8.926 -5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.711 -8.168 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.540 -8.772 -4.109 1.00 0.00 H new ATOM 716 N SER A 51 -2.481 -11.828 -3.631 1.00 0.00 N ATOM 717 CA SER A 51 -1.537 -12.883 -3.286 1.00 0.00 C ATOM 718 C SER A 51 -0.107 -12.462 -3.611 1.00 0.00 C ATOM 719 O SER A 51 0.385 -12.696 -4.714 1.00 0.00 O ATOM 720 CB SER A 51 -1.882 -14.173 -4.034 1.00 0.00 C ATOM 721 OG SER A 51 -2.740 -14.996 -3.262 1.00 0.00 O ATOM 0 H SER A 51 -2.993 -11.445 -2.836 1.00 0.00 H new ATOM 0 HA SER A 51 -1.610 -13.063 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.362 -13.930 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.967 -14.716 -4.270 1.00 0.00 H new ATOM 0 HG SER A 51 -2.947 -15.813 -3.762 1.00 0.00 H new ATOM 727 N GLY A 52 0.554 -11.835 -2.642 1.00 0.00 N ATOM 728 CA GLY A 52 1.920 -11.390 -2.844 1.00 0.00 C ATOM 729 C GLY A 52 2.308 -10.265 -1.904 1.00 0.00 C ATOM 730 O GLY A 52 1.504 -9.833 -1.078 1.00 0.00 O ATOM 0 H GLY A 52 0.167 -11.628 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.598 -12.231 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.042 -11.057 -3.875 1.00 0.00 H new ATOM 734 N GLN A 53 3.542 -9.790 -2.031 1.00 0.00 N ATOM 735 CA GLN A 53 4.035 -8.707 -1.186 1.00 0.00 C ATOM 736 C GLN A 53 3.554 -7.354 -1.702 1.00 0.00 C ATOM 737 O GLN A 53 4.075 -6.834 -2.687 1.00 0.00 O ATOM 738 CB GLN A 53 5.564 -8.733 -1.128 1.00 0.00 C ATOM 739 CG GLN A 53 6.124 -8.484 0.263 1.00 0.00 C ATOM 740 CD GLN A 53 6.323 -9.767 1.048 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.350 -10.433 0.921 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.337 -10.118 1.867 1.00 0.00 N ATOM 0 H GLN A 53 4.219 -10.137 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 53 3.639 -8.853 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.916 -9.701 -1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.958 -7.979 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.077 -7.962 0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.448 -7.828 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.503 -9.535 1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.414 -10.970 2.422 1.00 0.00 H new ATOM 751 N TRP A 54 2.557 -6.790 -1.027 1.00 0.00 N ATOM 752 CA TRP A 54 2.006 -5.497 -1.417 1.00 0.00 C ATOM 753 C TRP A 54 2.278 -4.445 -0.347 1.00 0.00 C ATOM 754 O TRP A 54 2.892 -4.734 0.680 1.00 0.00 O ATOM 755 CB TRP A 54 0.499 -5.615 -1.661 1.00 0.00 C ATOM 756 CG TRP A 54 0.156 -6.425 -2.874 1.00 0.00 C ATOM 757 CD1 TRP A 54 -0.025 -7.777 -2.932 1.00 0.00 C ATOM 758 CD2 TRP A 54 -0.047 -5.934 -4.203 1.00 0.00 C ATOM 759 NE1 TRP A 54 -0.328 -8.157 -4.217 1.00 0.00 N ATOM 760 CE2 TRP A 54 -0.348 -7.044 -5.016 1.00 0.00 C ATOM 761 CE3 TRP A 54 -0.005 -4.664 -4.786 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.605 -6.921 -6.379 1.00 0.00 C ATOM 763 CZ3 TRP A 54 -0.260 -4.544 -6.140 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.557 -5.667 -6.923 1.00 0.00 C ATOM 0 H TRP A 54 2.115 -7.208 -0.208 1.00 0.00 H new ATOM 0 HA TRP A 54 2.494 -5.185 -2.340 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.031 -6.067 -0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.076 -4.616 -1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.058 -8.449 -2.091 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.509 -9.112 -4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.222 -3.793 -4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.834 -7.785 -6.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.230 -3.568 -6.601 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.752 -5.540 -7.978 1.00 0.00 H new ATOM 775 N ALA A 55 1.820 -3.222 -0.596 1.00 0.00 N ATOM 776 CA ALA A 55 2.014 -2.127 0.346 1.00 0.00 C ATOM 777 C ALA A 55 0.901 -1.092 0.224 1.00 0.00 C ATOM 778 O ALA A 55 0.538 -0.685 -0.880 1.00 0.00 O ATOM 779 CB ALA A 55 3.370 -1.475 0.123 1.00 0.00 C ATOM 0 H ALA A 55 1.312 -2.965 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 55 1.981 -2.539 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.502 -0.659 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.158 -2.214 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.423 -1.084 -0.893 1.00 0.00 H new ATOM 785 N GLY A 56 0.365 -0.670 1.363 1.00 0.00 N ATOM 786 CA GLY A 56 -0.701 0.314 1.361 1.00 0.00 C ATOM 787 C GLY A 56 -0.182 1.733 1.489 1.00 0.00 C ATOM 788 O GLY A 56 0.062 2.215 2.595 1.00 0.00 O ATOM 0 H GLY A 56 0.650 -0.992 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.274 0.222 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.385 0.105 2.183 1.00 0.00 H new ATOM 792 N ILE A 57 -0.013 2.404 0.354 1.00 0.00 N ATOM 793 CA ILE A 57 0.480 3.775 0.343 1.00 0.00 C ATOM 794 C ILE A 57 -0.652 4.765 0.098 1.00 0.00 C ATOM 795 O ILE A 57 -1.615 4.461 -0.606 1.00 0.00 O ATOM 796 CB ILE A 57 1.563 3.975 -0.735 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.620 2.873 -0.638 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.205 5.346 -0.595 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.479 2.748 -1.877 1.00 0.00 C ATOM 0 H ILE A 57 -0.211 2.020 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 57 0.916 3.961 1.325 1.00 0.00 H new ATOM 0 HB ILE A 57 1.092 3.916 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.262 3.071 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.124 1.920 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.968 5.471 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.444 6.118 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.665 5.434 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.206 1.948 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.848 2.519 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.003 3.687 -2.052 1.00 0.00 H new ATOM 811 N GLU A 58 -0.531 5.952 0.684 1.00 0.00 N ATOM 812 CA GLU A 58 -1.545 6.990 0.529 1.00 0.00 C ATOM 813 C GLU A 58 -0.992 8.179 -0.248 1.00 0.00 C ATOM 814 O GLU A 58 -0.201 8.962 0.276 1.00 0.00 O ATOM 815 CB GLU A 58 -2.047 7.448 1.899 1.00 0.00 C ATOM 816 CG GLU A 58 -3.351 8.228 1.839 1.00 0.00 C ATOM 817 CD GLU A 58 -3.212 9.641 2.372 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.457 9.837 3.347 1.00 0.00 O ATOM 819 OE2 GLU A 58 -3.859 10.553 1.814 1.00 0.00 O ATOM 0 H GLU A 58 0.259 6.219 1.271 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.378 6.569 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.184 6.575 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.283 8.068 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.700 8.266 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.112 7.700 2.414 1.00 0.00 H new ATOM 826 N LEU A 59 -1.415 8.308 -1.502 1.00 0.00 N ATOM 827 CA LEU A 59 -0.963 9.403 -2.352 1.00 0.00 C ATOM 828 C LEU A 59 -1.502 10.739 -1.852 1.00 0.00 C ATOM 829 O LEU A 59 -2.691 10.868 -1.557 1.00 0.00 O ATOM 830 CB LEU A 59 -1.404 9.170 -3.798 1.00 0.00 C ATOM 831 CG LEU A 59 -1.016 7.811 -4.383 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.727 7.578 -5.707 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.491 7.721 -4.563 1.00 0.00 C ATOM 0 H LEU A 59 -2.070 7.668 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 59 0.126 9.434 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.487 9.276 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.975 9.953 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.327 7.033 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.439 6.606 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.805 7.601 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.447 8.360 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.750 6.748 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.824 8.507 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.981 7.844 -3.597 1.00 0.00 H new ATOM 845 N ASP A 60 -0.622 11.730 -1.759 1.00 0.00 N ATOM 846 CA ASP A 60 -1.011 13.057 -1.295 1.00 0.00 C ATOM 847 C ASP A 60 -2.039 13.681 -2.233 1.00 0.00 C ATOM 848 O ASP A 60 -2.899 14.449 -1.804 1.00 0.00 O ATOM 849 CB ASP A 60 0.217 13.964 -1.192 1.00 0.00 C ATOM 850 CG ASP A 60 0.982 13.755 0.101 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.340 13.451 1.128 1.00 0.00 O ATOM 852 OD2 ASP A 60 2.224 13.896 0.085 1.00 0.00 O ATOM 0 H ASP A 60 0.365 11.640 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.462 12.952 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.878 13.773 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.097 15.006 -1.261 1.00 0.00 H new ATOM 857 N GLU A 61 -1.944 13.344 -3.515 1.00 0.00 N ATOM 858 CA GLU A 61 -2.866 13.870 -4.515 1.00 0.00 C ATOM 859 C GLU A 61 -3.851 12.793 -4.967 1.00 0.00 C ATOM 860 O GLU A 61 -3.561 11.600 -4.881 1.00 0.00 O ATOM 861 CB GLU A 61 -2.093 14.409 -5.719 1.00 0.00 C ATOM 862 CG GLU A 61 -1.193 15.588 -5.386 1.00 0.00 C ATOM 863 CD GLU A 61 -1.350 16.737 -6.363 1.00 0.00 C ATOM 864 OE1 GLU A 61 -2.501 17.041 -6.742 1.00 0.00 O ATOM 865 OE2 GLU A 61 -0.323 17.332 -6.750 1.00 0.00 O ATOM 0 H GLU A 61 -1.237 12.709 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.430 14.685 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.486 13.607 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.802 14.710 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.418 15.939 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.154 15.258 -5.383 1.00 0.00 H new ATOM 872 N PRO A 62 -5.032 13.203 -5.459 1.00 0.00 N ATOM 873 CA PRO A 62 -6.060 12.266 -5.927 1.00 0.00 C ATOM 874 C PRO A 62 -5.625 11.505 -7.173 1.00 0.00 C ATOM 875 O PRO A 62 -5.717 12.016 -8.290 1.00 0.00 O ATOM 876 CB PRO A 62 -7.256 13.170 -6.242 1.00 0.00 C ATOM 877 CG PRO A 62 -6.662 14.513 -6.495 1.00 0.00 C ATOM 878 CD PRO A 62 -5.459 14.607 -5.598 1.00 0.00 C ATOM 0 HA PRO A 62 -6.276 11.498 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.805 12.810 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.960 13.199 -5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.378 14.624 -7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.378 15.305 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.676 15.224 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.709 15.049 -4.634 1.00 0.00 H new ATOM 886 N GLU A 63 -5.150 10.280 -6.976 1.00 0.00 N ATOM 887 CA GLU A 63 -4.701 9.446 -8.085 1.00 0.00 C ATOM 888 C GLU A 63 -4.624 7.980 -7.668 1.00 0.00 C ATOM 889 O GLU A 63 -3.801 7.221 -8.179 1.00 0.00 O ATOM 890 CB GLU A 63 -3.334 9.921 -8.586 1.00 0.00 C ATOM 891 CG GLU A 63 -3.418 10.852 -9.785 1.00 0.00 C ATOM 892 CD GLU A 63 -2.665 12.151 -9.572 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.423 12.103 -9.448 1.00 0.00 O ATOM 894 OE2 GLU A 63 -3.318 13.215 -9.527 1.00 0.00 O ATOM 0 H GLU A 63 -5.066 9.842 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.427 9.536 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.816 10.432 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.731 9.053 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.017 10.344 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.464 11.074 -9.995 1.00 0.00 H new ATOM 901 N GLY A 64 -5.488 7.589 -6.737 1.00 0.00 N ATOM 902 CA GLY A 64 -5.502 6.216 -6.267 1.00 0.00 C ATOM 903 C GLY A 64 -6.654 5.418 -6.848 1.00 0.00 C ATOM 904 O GLY A 64 -7.433 5.934 -7.650 1.00 0.00 O ATOM 0 H GLY A 64 -6.179 8.199 -6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.560 5.735 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.570 6.208 -5.179 1.00 0.00 H new ATOM 908 N LYS A 65 -6.764 4.158 -6.442 1.00 0.00 N ATOM 909 CA LYS A 65 -7.830 3.289 -6.926 1.00 0.00 C ATOM 910 C LYS A 65 -8.418 2.460 -5.788 1.00 0.00 C ATOM 911 O LYS A 65 -8.885 1.341 -5.999 1.00 0.00 O ATOM 912 CB LYS A 65 -7.304 2.364 -8.026 1.00 0.00 C ATOM 913 CG LYS A 65 -6.835 3.103 -9.269 1.00 0.00 C ATOM 914 CD LYS A 65 -7.868 3.033 -10.382 1.00 0.00 C ATOM 915 CE LYS A 65 -7.290 3.504 -11.708 1.00 0.00 C ATOM 916 NZ LYS A 65 -8.306 3.477 -12.797 1.00 0.00 N ATOM 0 H LYS A 65 -6.128 3.716 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.618 3.920 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.477 1.775 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.090 1.662 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.637 4.146 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.895 2.674 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.227 2.009 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.729 3.648 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.904 4.517 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.447 2.870 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.873 3.805 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.656 2.506 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.099 4.102 -12.547 1.00 0.00 H new ATOM 930 N ASN A 66 -8.390 3.017 -4.582 1.00 0.00 N ATOM 931 CA ASN A 66 -8.921 2.330 -3.410 1.00 0.00 C ATOM 932 C ASN A 66 -9.340 3.329 -2.337 1.00 0.00 C ATOM 933 O ASN A 66 -8.903 4.480 -2.342 1.00 0.00 O ATOM 934 CB ASN A 66 -7.879 1.363 -2.844 1.00 0.00 C ATOM 935 CG ASN A 66 -7.394 0.365 -3.876 1.00 0.00 C ATOM 936 OD1 ASN A 66 -6.592 0.697 -4.749 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.880 -0.867 -3.781 1.00 0.00 N ATOM 0 H ASN A 66 -8.005 3.942 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.801 1.765 -3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.029 1.931 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.308 0.826 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.590 -1.582 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.543 -1.098 -3.041 1.00 0.00 H new ATOM 944 N ASN A 67 -10.189 2.882 -1.418 1.00 0.00 N ATOM 945 CA ASN A 67 -10.667 3.737 -0.338 1.00 0.00 C ATOM 946 C ASN A 67 -10.143 3.257 1.011 1.00 0.00 C ATOM 947 O ASN A 67 -10.800 3.421 2.039 1.00 0.00 O ATOM 948 CB ASN A 67 -12.197 3.766 -0.322 1.00 0.00 C ATOM 949 CG ASN A 67 -12.799 2.389 -0.117 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.135 1.475 0.370 1.00 0.00 O ATOM 951 ND2 ASN A 67 -14.064 2.235 -0.491 1.00 0.00 N ATOM 0 H ASN A 67 -10.560 1.932 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.292 4.745 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.537 4.430 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.560 4.182 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.523 1.331 -0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.577 3.021 -0.891 1.00 0.00 H new ATOM 958 N GLY A 68 -8.954 2.662 1.001 1.00 0.00 N ATOM 959 CA GLY A 68 -8.362 2.167 2.230 1.00 0.00 C ATOM 960 C GLY A 68 -8.554 0.674 2.405 1.00 0.00 C ATOM 961 O GLY A 68 -7.736 0.006 3.039 1.00 0.00 O ATOM 0 H GLY A 68 -8.390 2.514 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.296 2.396 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.804 2.689 3.079 1.00 0.00 H new ATOM 965 N SER A 69 -9.638 0.148 1.843 1.00 0.00 N ATOM 966 CA SER A 69 -9.936 -1.276 1.941 1.00 0.00 C ATOM 967 C SER A 69 -10.179 -1.877 0.560 1.00 0.00 C ATOM 968 O SER A 69 -10.516 -1.166 -0.387 1.00 0.00 O ATOM 969 CB SER A 69 -11.159 -1.503 2.831 1.00 0.00 C ATOM 970 OG SER A 69 -12.360 -1.273 2.115 1.00 0.00 O ATOM 0 H SER A 69 -10.324 0.687 1.315 1.00 0.00 H new ATOM 0 HA SER A 69 -9.074 -1.772 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.150 -2.524 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.113 -0.839 3.694 1.00 0.00 H new ATOM 0 HG SER A 69 -12.273 -0.453 1.585 1.00 0.00 H new ATOM 976 N VAL A 70 -10.006 -3.190 0.454 1.00 0.00 N ATOM 977 CA VAL A 70 -10.207 -3.886 -0.811 1.00 0.00 C ATOM 978 C VAL A 70 -11.082 -5.121 -0.625 1.00 0.00 C ATOM 979 O VAL A 70 -10.643 -6.127 -0.067 1.00 0.00 O ATOM 980 CB VAL A 70 -8.866 -4.312 -1.438 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.080 -4.851 -2.843 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.888 -3.146 -1.448 1.00 0.00 C ATOM 0 H VAL A 70 -9.727 -3.793 1.228 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.707 -3.186 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.439 -5.110 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.121 -5.147 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.742 -5.716 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.530 -4.077 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.946 -3.465 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.306 -2.325 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.710 -2.811 -0.426 1.00 0.00 H new ATOM 992 N GLY A 71 -12.321 -5.037 -1.095 1.00 0.00 N ATOM 993 CA GLY A 71 -13.239 -6.155 -0.970 1.00 0.00 C ATOM 994 C GLY A 71 -13.806 -6.286 0.429 1.00 0.00 C ATOM 995 O GLY A 71 -14.436 -5.359 0.940 1.00 0.00 O ATOM 0 H GLY A 71 -12.707 -4.215 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.057 -6.031 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.722 -7.077 -1.237 1.00 0.00 H new ATOM 999 N ARG A 72 -13.581 -7.438 1.051 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.074 -7.687 2.401 1.00 0.00 C ATOM 1001 C ARG A 72 -12.927 -7.692 3.407 1.00 0.00 C ATOM 1002 O ARG A 72 -12.984 -8.381 4.426 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.821 -9.022 2.455 1.00 0.00 C ATOM 1004 CG ARG A 72 -14.008 -10.196 1.936 1.00 0.00 C ATOM 1005 CD ARG A 72 -14.576 -11.522 2.414 1.00 0.00 C ATOM 1006 NE ARG A 72 -15.531 -12.084 1.462 1.00 0.00 N ATOM 1007 CZ ARG A 72 -15.177 -12.729 0.352 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -13.895 -12.896 0.054 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -16.109 -13.209 -0.461 1.00 0.00 N ATOM 0 H ARG A 72 -13.061 -8.214 0.642 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.761 -6.883 2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.116 -9.222 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.738 -8.940 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.994 -10.177 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.975 -10.100 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.762 -12.229 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.065 -11.380 3.378 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.526 -11.976 1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.175 -12.530 0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.630 -13.391 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.096 -13.084 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.839 -13.703 -1.311 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.886 -6.919 3.115 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.726 -6.835 3.994 1.00 0.00 C ATOM 1025 C VAL A 73 -10.239 -5.397 4.128 1.00 0.00 C ATOM 1026 O VAL A 73 -10.311 -4.616 3.179 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.568 -7.712 3.481 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.447 -7.772 4.508 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.065 -9.108 3.142 1.00 0.00 C ATOM 0 H VAL A 73 -11.822 -6.342 2.276 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.043 -7.200 4.971 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.172 -7.262 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.638 -8.396 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.072 -6.766 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.827 -8.197 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.233 -9.713 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.489 -9.570 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.829 -9.044 2.368 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.742 -5.054 5.312 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.241 -3.709 5.571 1.00 0.00 C ATOM 1041 C GLN A 74 -7.723 -3.714 5.719 1.00 0.00 C ATOM 1042 O GLN A 74 -7.138 -4.691 6.187 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.886 -3.135 6.832 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.952 -1.617 6.845 1.00 0.00 C ATOM 1045 CD GLN A 74 -8.854 -0.992 7.684 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -8.550 -1.463 8.780 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -8.251 0.074 7.171 1.00 0.00 N ATOM 0 H GLN A 74 -9.675 -5.689 6.107 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.504 -3.081 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.895 -3.535 6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.325 -3.473 7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.879 -1.245 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.922 -1.303 7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.535 0.431 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.504 0.536 7.689 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.091 -2.615 5.317 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.640 -2.493 5.406 1.00 0.00 C ATOM 1058 C TYR A 75 -5.247 -1.207 6.127 1.00 0.00 C ATOM 1059 O TYR A 75 -4.612 -1.244 7.181 1.00 0.00 O ATOM 1060 CB TYR A 75 -5.018 -2.517 4.009 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.463 -3.694 3.167 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.626 -3.630 2.411 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.718 -4.865 3.130 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -7.035 -4.702 1.641 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -5.120 -5.942 2.361 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.280 -5.855 1.620 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.683 -6.925 0.854 1.00 0.00 O ATOM 0 H TYR A 75 -7.560 -1.798 4.927 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.263 -3.341 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.274 -1.593 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.932 -2.539 4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.220 -2.728 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.810 -4.936 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.942 -4.637 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.529 -6.846 2.341 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.641 -6.682 -0.095 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.626 -0.073 5.549 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.313 1.225 6.135 1.00 0.00 C ATOM 1079 C PHE A 76 -6.426 2.230 5.855 1.00 0.00 C ATOM 1080 O PHE A 76 -7.254 2.023 4.967 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.986 1.749 5.582 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.011 2.000 4.100 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.784 0.965 3.207 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.261 3.268 3.603 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.807 1.192 1.844 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.285 3.501 2.240 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.058 2.461 1.360 1.00 0.00 C ATOM 0 H PHE A 76 -6.150 -0.026 4.675 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.225 1.098 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.728 2.676 6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.198 1.030 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.587 -0.029 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.439 4.084 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.629 0.377 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.481 4.494 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.077 2.640 0.295 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.441 3.319 6.616 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.452 4.355 6.448 1.00 0.00 C ATOM 1099 C LYS A 77 -6.965 5.443 5.496 1.00 0.00 C ATOM 1100 O LYS A 77 -5.800 5.836 5.532 1.00 0.00 O ATOM 1101 CB LYS A 77 -7.813 4.970 7.801 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.297 3.953 8.822 1.00 0.00 C ATOM 1103 CD LYS A 77 -7.221 3.636 9.848 1.00 0.00 C ATOM 1104 CE LYS A 77 -7.354 4.511 11.083 1.00 0.00 C ATOM 1105 NZ LYS A 77 -6.215 4.323 12.023 1.00 0.00 N ATOM 0 H LYS A 77 -5.764 3.507 7.355 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.341 3.893 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.940 5.486 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.588 5.722 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.182 4.338 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.595 3.037 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.289 2.587 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.237 3.782 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.407 5.557 10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.288 4.278 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.344 4.938 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.179 3.330 12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.325 4.570 11.544 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.866 5.923 4.645 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.529 6.965 3.683 1.00 0.00 C ATOM 1121 C CYS A 78 -8.783 7.490 2.991 1.00 0.00 C ATOM 1122 O CYS A 78 -9.893 7.032 3.264 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.544 6.429 2.643 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.201 5.086 1.626 1.00 0.00 S ATOM 0 H CYS A 78 -8.835 5.607 4.602 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.062 7.788 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.239 7.248 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.648 6.078 3.154 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.303 4.154 1.505 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.599 8.454 2.095 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.716 9.041 1.364 1.00 0.00 C ATOM 1132 C ALA A 79 -9.944 8.323 0.037 1.00 0.00 C ATOM 1133 O ALA A 79 -9.056 7.634 -0.465 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.469 10.523 1.129 1.00 0.00 C ATOM 0 H ALA A 79 -7.687 8.845 1.858 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.616 8.924 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.310 10.950 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.364 11.031 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.556 10.652 0.548 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.143 8.475 -0.550 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.486 7.837 -1.826 1.00 0.00 C ATOM 1142 C PRO A 80 -10.602 8.326 -2.970 1.00 0.00 C ATOM 1143 O PRO A 80 -10.311 9.518 -3.076 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.944 8.250 -2.065 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.448 8.702 -0.736 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.259 9.274 -0.020 1.00 0.00 C ATOM 0 HA PRO A 80 -11.341 6.757 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.010 9.049 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.532 7.415 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.233 9.450 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.878 7.871 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.132 10.336 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.351 9.173 1.061 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.183 7.400 -3.825 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.335 7.737 -4.963 1.00 0.00 C ATOM 1156 C LYS A 81 -8.024 8.366 -4.504 1.00 0.00 C ATOM 1157 O LYS A 81 -7.507 9.284 -5.140 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.070 8.691 -5.906 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.388 8.140 -6.424 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.575 8.752 -5.696 1.00 0.00 C ATOM 1161 CE LYS A 81 -13.108 9.973 -6.428 1.00 0.00 C ATOM 1162 NZ LYS A 81 -14.142 9.608 -7.435 1.00 0.00 N ATOM 0 H LYS A 81 -10.417 6.410 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.103 6.814 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.258 9.630 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.424 8.920 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.472 8.341 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.404 7.057 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.367 8.009 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.278 9.033 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.533 10.671 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.285 10.488 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.480 10.468 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.730 8.961 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.940 9.139 -6.960 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.488 7.864 -3.396 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.234 8.375 -2.854 1.00 0.00 C ATOM 1178 C TYR A 82 -5.294 7.232 -2.488 1.00 0.00 C ATOM 1179 O TYR A 82 -4.106 7.264 -2.812 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.500 9.246 -1.624 1.00 0.00 C ATOM 1181 CG TYR A 82 -7.010 10.629 -1.957 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -6.157 11.601 -2.465 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.344 10.965 -1.763 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.618 12.868 -2.769 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.813 12.228 -2.067 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.947 13.176 -2.570 1.00 0.00 C ATOM 1187 OH TYR A 82 -8.410 14.436 -2.872 1.00 0.00 O ATOM 0 H TYR A 82 -7.902 7.104 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.757 8.983 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.227 8.745 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.579 9.337 -1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.116 11.362 -2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.026 10.226 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.941 13.613 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.853 12.472 -1.911 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.369 14.488 -2.675 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.833 6.223 -1.812 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.029 5.084 -1.413 1.00 0.00 C ATOM 1199 C GLY A 83 -4.851 4.078 -2.533 1.00 0.00 C ATOM 1200 O GLY A 83 -5.754 3.880 -3.347 1.00 0.00 O ATOM 0 H GLY A 83 -6.813 6.174 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.050 5.432 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.498 4.594 -0.560 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.685 3.442 -2.577 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.393 2.454 -3.608 1.00 0.00 C ATOM 1206 C ILE A 84 -2.441 1.381 -3.087 1.00 0.00 C ATOM 1207 O ILE A 84 -1.597 1.648 -2.230 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.779 3.113 -4.859 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.580 2.078 -5.968 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.460 3.789 -4.513 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.760 2.641 -7.361 1.00 0.00 C ATOM 0 H ILE A 84 -2.928 3.593 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.341 1.990 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.470 3.874 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.579 1.654 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.286 1.260 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.041 4.249 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.631 4.556 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.762 3.047 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.604 1.851 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.769 3.039 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.036 3.439 -7.527 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.581 0.167 -3.610 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.734 -0.946 -3.197 1.00 0.00 C ATOM 1225 C PHE A 85 -0.770 -1.339 -4.312 1.00 0.00 C ATOM 1226 O PHE A 85 -1.189 -1.645 -5.429 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.592 -2.149 -2.804 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.607 -1.840 -1.740 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.774 -1.163 -2.054 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.393 -2.227 -0.427 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.710 -0.877 -1.078 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -4.325 -1.944 0.554 1.00 0.00 C ATOM 1233 CZ PHE A 85 -5.485 -1.268 0.229 1.00 0.00 C ATOM 0 H PHE A 85 -3.273 -0.071 -4.321 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.152 -0.625 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.107 -2.522 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.941 -2.950 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.955 -0.855 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.488 -2.756 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.616 -0.349 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.146 -2.251 1.574 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.214 -1.045 0.994 1.00 0.00 H new ATOM 1243 N ALA A 86 0.521 -1.330 -4.001 1.00 0.00 N ATOM 1244 CA ALA A 86 1.545 -1.687 -4.977 1.00 0.00 C ATOM 1245 C ALA A 86 2.493 -2.744 -4.414 1.00 0.00 C ATOM 1246 O ALA A 86 2.689 -2.830 -3.202 1.00 0.00 O ATOM 1247 CB ALA A 86 2.323 -0.450 -5.401 1.00 0.00 C ATOM 0 H ALA A 86 0.884 -1.080 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 86 1.049 -2.108 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.084 -0.731 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.641 0.273 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.802 -0.005 -4.529 1.00 0.00 H new ATOM 1253 N PRO A 87 3.094 -3.566 -5.290 1.00 0.00 N ATOM 1254 CA PRO A 87 4.023 -4.621 -4.873 1.00 0.00 C ATOM 1255 C PRO A 87 5.182 -4.075 -4.046 1.00 0.00 C ATOM 1256 O PRO A 87 5.950 -3.238 -4.513 1.00 0.00 O ATOM 1257 CB PRO A 87 4.536 -5.200 -6.195 1.00 0.00 C ATOM 1258 CG PRO A 87 3.492 -4.848 -7.198 1.00 0.00 C ATOM 1259 CD PRO A 87 2.916 -3.535 -6.753 1.00 0.00 C ATOM 0 HA PRO A 87 3.536 -5.359 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.502 -4.774 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.671 -6.279 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.922 -4.767 -8.196 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.721 -5.617 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.440 -2.692 -7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.866 -3.442 -7.029 1.00 0.00 H new ATOM 1267 N LEU A 88 5.296 -4.555 -2.806 1.00 0.00 N ATOM 1268 CA LEU A 88 6.361 -4.115 -1.912 1.00 0.00 C ATOM 1269 C LEU A 88 7.699 -4.164 -2.632 1.00 0.00 C ATOM 1270 O LEU A 88 8.490 -3.224 -2.572 1.00 0.00 O ATOM 1271 CB LEU A 88 6.406 -4.992 -0.660 1.00 0.00 C ATOM 1272 CG LEU A 88 7.215 -4.418 0.505 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.340 -3.533 1.378 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.832 -5.539 1.328 1.00 0.00 C ATOM 0 H LEU A 88 4.664 -5.246 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 88 6.158 -3.088 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.385 -5.168 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.824 -5.962 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 88 8.020 -3.807 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.933 -3.134 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.946 -2.710 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.513 -4.120 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.404 -5.113 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.042 -6.176 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.493 -6.133 0.697 1.00 0.00 H new ATOM 1286 N SER A 89 7.928 -5.269 -3.334 1.00 0.00 N ATOM 1287 CA SER A 89 9.154 -5.447 -4.096 1.00 0.00 C ATOM 1288 C SER A 89 9.329 -4.289 -5.070 1.00 0.00 C ATOM 1289 O SER A 89 10.446 -3.960 -5.468 1.00 0.00 O ATOM 1290 CB SER A 89 9.124 -6.775 -4.855 1.00 0.00 C ATOM 1291 OG SER A 89 10.392 -7.408 -4.826 1.00 0.00 O ATOM 0 H SER A 89 7.279 -6.054 -3.390 1.00 0.00 H new ATOM 0 HA SER A 89 9.998 -5.463 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.375 -7.433 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.825 -6.600 -5.888 1.00 0.00 H new ATOM 0 HG SER A 89 10.346 -8.255 -5.316 1.00 0.00 H new ATOM 1297 N LYS A 90 8.211 -3.661 -5.435 1.00 0.00 N ATOM 1298 CA LYS A 90 8.242 -2.526 -6.347 1.00 0.00 C ATOM 1299 C LYS A 90 8.341 -1.214 -5.569 1.00 0.00 C ATOM 1300 O LYS A 90 8.626 -0.164 -6.144 1.00 0.00 O ATOM 1301 CB LYS A 90 6.995 -2.515 -7.235 1.00 0.00 C ATOM 1302 CG LYS A 90 7.156 -3.311 -8.519 1.00 0.00 C ATOM 1303 CD LYS A 90 7.317 -2.400 -9.726 1.00 0.00 C ATOM 1304 CE LYS A 90 8.359 -2.937 -10.695 1.00 0.00 C ATOM 1305 NZ LYS A 90 7.850 -4.107 -11.464 1.00 0.00 N ATOM 0 H LYS A 90 7.279 -3.920 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 90 9.123 -2.624 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.154 -2.918 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.746 -1.484 -7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.025 -3.964 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.287 -3.954 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.360 -2.300 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.607 -1.403 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.653 -2.148 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.253 -3.226 -10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.589 -4.444 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.593 -4.870 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.011 -3.825 -12.011 1.00 0.00 H new ATOM 1319 N ILE A 91 8.104 -1.281 -4.258 1.00 0.00 N ATOM 1320 CA ILE A 91 8.172 -0.095 -3.413 1.00 0.00 C ATOM 1321 C ILE A 91 9.596 0.148 -2.924 1.00 0.00 C ATOM 1322 O ILE A 91 10.354 -0.794 -2.695 1.00 0.00 O ATOM 1323 CB ILE A 91 7.234 -0.215 -2.196 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.812 -0.543 -2.650 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.249 1.071 -1.381 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.233 0.476 -3.608 1.00 0.00 C ATOM 0 H ILE A 91 7.865 -2.140 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 91 7.851 0.748 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 91 7.592 -1.027 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.809 -1.522 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.167 -0.614 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.581 0.968 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.262 1.267 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.915 1.901 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.222 0.179 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.204 1.453 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.856 0.531 -4.501 1.00 0.00 H new ATOM 1338 N SER A 92 9.954 1.419 -2.768 1.00 0.00 N ATOM 1339 CA SER A 92 11.288 1.786 -2.306 1.00 0.00 C ATOM 1340 C SER A 92 11.254 3.099 -1.530 1.00 0.00 C ATOM 1341 O SER A 92 10.218 3.759 -1.453 1.00 0.00 O ATOM 1342 CB SER A 92 12.245 1.907 -3.493 1.00 0.00 C ATOM 1343 OG SER A 92 12.400 0.663 -4.154 1.00 0.00 O ATOM 0 H SER A 92 9.339 2.211 -2.955 1.00 0.00 H new ATOM 0 HA SER A 92 11.643 1.000 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.866 2.650 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.216 2.261 -3.146 1.00 0.00 H new ATOM 0 HG SER A 92 13.015 0.768 -4.910 1.00 0.00 H new ATOM 1349 N LYS A 93 12.395 3.471 -0.959 1.00 0.00 N ATOM 1350 CA LYS A 93 12.497 4.706 -0.190 1.00 0.00 C ATOM 1351 C LYS A 93 12.618 5.913 -1.114 1.00 0.00 C ATOM 1352 O LYS A 93 13.132 5.805 -2.229 1.00 0.00 O ATOM 1353 CB LYS A 93 13.700 4.647 0.752 1.00 0.00 C ATOM 1354 CG LYS A 93 13.506 5.431 2.039 1.00 0.00 C ATOM 1355 CD LYS A 93 14.306 6.724 2.034 1.00 0.00 C ATOM 1356 CE LYS A 93 13.552 7.847 2.727 1.00 0.00 C ATOM 1357 NZ LYS A 93 14.435 9.011 3.019 1.00 0.00 N ATOM 0 H LYS A 93 13.261 2.935 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 93 11.587 4.813 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.906 3.606 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.577 5.031 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.448 5.658 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.809 4.818 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.262 6.564 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.527 7.013 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.722 8.169 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.121 7.476 3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.883 9.755 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.213 8.709 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.826 9.382 2.130 1.00 0.00 H new ATOM 1371 N LEU A 94 12.141 7.062 -0.646 1.00 0.00 N ATOM 1372 CA LEU A 94 12.196 8.288 -1.434 1.00 0.00 C ATOM 1373 C LEU A 94 13.640 8.721 -1.668 1.00 0.00 C ATOM 1374 O LEU A 94 14.365 9.038 -0.724 1.00 0.00 O ATOM 1375 CB LEU A 94 11.425 9.407 -0.731 1.00 0.00 C ATOM 1376 CG LEU A 94 11.453 10.760 -1.444 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.652 10.698 -2.735 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.916 11.854 -0.534 1.00 0.00 C ATOM 0 H LEU A 94 11.713 7.170 0.273 1.00 0.00 H new ATOM 0 HA LEU A 94 11.734 8.089 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.387 9.095 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.833 9.534 0.272 1.00 0.00 H new ATOM 0 HG LEU A 94 12.488 10.997 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.683 11.669 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.081 9.942 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.618 10.438 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.944 12.809 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.888 11.623 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.531 11.915 0.364 1.00 0.00 H new ATOM 1390 N LYS A 95 14.052 8.731 -2.931 1.00 0.00 N ATOM 1391 CA LYS A 95 15.409 9.126 -3.290 1.00 0.00 C ATOM 1392 C LYS A 95 16.435 8.212 -2.627 1.00 0.00 C ATOM 1393 O LYS A 95 16.878 8.468 -1.508 1.00 0.00 O ATOM 1394 CB LYS A 95 15.663 10.580 -2.886 1.00 0.00 C ATOM 1395 CG LYS A 95 15.429 11.573 -4.011 1.00 0.00 C ATOM 1396 CD LYS A 95 13.962 11.962 -4.117 1.00 0.00 C ATOM 1397 CE LYS A 95 13.727 13.389 -3.644 1.00 0.00 C ATOM 1398 NZ LYS A 95 13.764 14.361 -4.772 1.00 0.00 N ATOM 0 H LYS A 95 13.465 8.470 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 95 15.514 9.034 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.014 10.834 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.690 10.677 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.031 12.465 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.760 11.140 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.632 11.861 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.359 11.276 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.761 13.451 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.485 13.657 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.600 15.321 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.694 14.321 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.024 14.121 -5.462 1.00 0.00 H new ATOM 1412 N ASP A 96 16.809 7.145 -3.327 1.00 0.00 N ATOM 1413 CA ASP A 96 17.783 6.194 -2.807 1.00 0.00 C ATOM 1414 C ASP A 96 19.205 6.711 -3.003 1.00 0.00 C ATOM 1415 O ASP A 96 20.010 6.712 -2.073 1.00 0.00 O ATOM 1416 CB ASP A 96 17.621 4.838 -3.496 1.00 0.00 C ATOM 1417 CG ASP A 96 18.382 3.735 -2.786 1.00 0.00 C ATOM 1418 OD1 ASP A 96 19.388 4.045 -2.114 1.00 0.00 O ATOM 1419 OD2 ASP A 96 17.972 2.561 -2.903 1.00 0.00 O ATOM 0 H ASP A 96 16.452 6.918 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 96 17.603 6.074 -1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.563 4.578 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.971 4.912 -4.526 1.00 0.00 H new ATOM 1424 N SER A 97 19.506 7.150 -4.221 1.00 0.00 N ATOM 1425 CA SER A 97 20.830 7.670 -4.541 1.00 0.00 C ATOM 1426 C SER A 97 20.728 8.963 -5.342 1.00 0.00 C ATOM 1427 O SER A 97 20.092 9.004 -6.396 1.00 0.00 O ATOM 1428 CB SER A 97 21.634 6.631 -5.326 1.00 0.00 C ATOM 1429 OG SER A 97 21.217 5.315 -5.005 1.00 0.00 O ATOM 0 H SER A 97 18.851 7.156 -5.003 1.00 0.00 H new ATOM 0 HA SER A 97 21.344 7.884 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.512 6.804 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 97 22.695 6.744 -5.104 1.00 0.00 H new ATOM 0 HG SER A 97 21.744 4.670 -5.521 1.00 0.00 H new ATOM 1435 N GLY A 98 21.357 10.018 -4.836 1.00 0.00 N ATOM 1436 CA GLY A 98 21.324 11.299 -5.517 1.00 0.00 C ATOM 1437 C GLY A 98 22.637 12.054 -5.396 1.00 0.00 C ATOM 1438 O GLY A 98 22.982 12.526 -4.313 1.00 0.00 O ATOM 0 H GLY A 98 21.889 10.009 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 98 21.095 11.141 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.519 11.907 -5.103 1.00 0.00 H new ATOM 1442 N PRO A 99 23.400 12.187 -6.497 1.00 0.00 N ATOM 1443 CA PRO A 99 24.682 12.898 -6.485 1.00 0.00 C ATOM 1444 C PRO A 99 24.575 14.281 -5.851 1.00 0.00 C ATOM 1445 O PRO A 99 23.791 15.119 -6.297 1.00 0.00 O ATOM 1446 CB PRO A 99 25.037 13.016 -7.968 1.00 0.00 C ATOM 1447 CG PRO A 99 24.343 11.867 -8.614 1.00 0.00 C ATOM 1448 CD PRO A 99 23.073 11.659 -7.836 1.00 0.00 C ATOM 0 HA PRO A 99 25.432 12.373 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 99 24.700 13.966 -8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 99 26.115 12.966 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.129 12.080 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 99 24.965 10.972 -8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 99 22.235 12.193 -8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 99 22.795 10.606 -7.795 1.00 0.00 H new ATOM 1456 N SER A 100 25.368 14.513 -4.811 1.00 0.00 N ATOM 1457 CA SER A 100 25.361 15.796 -4.116 1.00 0.00 C ATOM 1458 C SER A 100 26.469 16.703 -4.639 1.00 0.00 C ATOM 1459 O SER A 100 26.249 17.888 -4.891 1.00 0.00 O ATOM 1460 CB SER A 100 25.527 15.586 -2.609 1.00 0.00 C ATOM 1461 OG SER A 100 24.590 14.642 -2.120 1.00 0.00 O ATOM 0 H SER A 100 26.024 13.830 -4.430 1.00 0.00 H new ATOM 0 HA SER A 100 24.401 16.277 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 100 26.539 15.243 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 100 25.396 16.535 -2.090 1.00 0.00 H new ATOM 0 HG SER A 100 24.717 14.524 -1.156 1.00 0.00 H new ATOM 1467 N SER A 101 27.662 16.139 -4.801 1.00 0.00 N ATOM 1468 CA SER A 101 28.806 16.897 -5.294 1.00 0.00 C ATOM 1469 C SER A 101 28.544 17.422 -6.702 1.00 0.00 C ATOM 1470 O SER A 101 28.354 16.645 -7.639 1.00 0.00 O ATOM 1471 CB SER A 101 30.063 16.026 -5.288 1.00 0.00 C ATOM 1472 OG SER A 101 30.776 16.167 -4.071 1.00 0.00 O ATOM 0 H SER A 101 27.861 15.159 -4.598 1.00 0.00 H new ATOM 0 HA SER A 101 28.959 17.748 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 101 29.786 14.982 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 101 30.705 16.304 -6.124 1.00 0.00 H new ATOM 0 HG SER A 101 31.574 15.599 -4.092 1.00 0.00 H new ATOM 1478 N GLY A 102 28.537 18.743 -6.845 1.00 0.00 N ATOM 1479 CA GLY A 102 28.299 19.347 -8.142 1.00 0.00 C ATOM 1480 C GLY A 102 28.597 20.833 -8.154 1.00 0.00 C ATOM 1481 O GLY A 102 28.972 21.355 -9.225 1.00 0.00 O ATOM 1482 OXT GLY A 102 28.455 21.476 -7.093 1.00 0.00 O ATOM 0 H GLY A 102 28.692 19.406 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 102 28.917 18.850 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 102 27.260 19.186 -8.429 1.00 0.00 H new TER 1486 GLY A 102