USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 691 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 60 TYR OH : rot 40:sc= 1.1 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -137:sc= -0.988 (180deg=-2.37!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -146:sc= -0.868 (180deg=-1.05) USER MOD Set 2.2: A 71 GLN :FLIP amide:sc= -1.03 F(o=-2.7,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0015 (180deg=-0.0837) USER MOD Single : A 3 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.51) USER MOD Single : A 4 HIS : no HD1:sc=-0.000183 X(o=-0.00018,f=-0.00048) USER MOD Single : A 5 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=-0.0049) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.823 K(o=0.82,f=-3.2!) USER MOD Single : A 8 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.44) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 10 HIS : no HD1:sc= -0.0603 X(o=-0.06,f=-0.55) USER MOD Single : A 12 ASN : amide:sc= -0.918 K(o=-0.92,f=-8.4!) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 2.05 (180deg=1.92) USER MOD Single : A 23 HIS :FLIP no HE2:sc= 0.0885 F(o=-0.71,f=0.088) USER MOD Single : A 24 SER OG : rot -35:sc= 2.21 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0827) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.213 (180deg=-0.651) USER MOD Single : A 28 ASN : amide:sc= 0.804 K(o=0.8,f=-0.34) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 34 ASN : amide:sc= 0.237 K(o=0.24,f=-8!) USER MOD Single : A 42 MET CE :methyl -151:sc= -0.156 (180deg=-0.793) USER MOD Single : A 46 SER OG : rot -48:sc= 0.775 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 72:sc= -1.74 USER MOD Single : A 55 THR OG1 : rot 70:sc= 0.684 USER MOD Single : A 59 MET CE :methyl 153:sc= -1.02 (180deg=-2.43!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.744 USER MOD Single : A 76 MET CE :methyl -159:sc= -0.209 (180deg=-0.938) USER MOD Single : A 82 MET CE :methyl -129:sc= -0.417 (180deg=-2.68) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc=-0.000528 (180deg=-0.0608) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.063 -33.132 0.807 1.00 74.31 N ATOM 2 CA MET A 1 15.282 -31.944 1.253 1.00 71.52 C ATOM 3 C MET A 1 14.190 -31.573 0.240 1.00 32.50 C ATOM 4 O MET A 1 14.416 -31.606 -0.971 1.00 72.22 O ATOM 5 CB MET A 1 16.210 -30.735 1.450 1.00 44.35 C ATOM 6 CG MET A 1 17.266 -30.918 2.531 1.00 61.55 C ATOM 7 SD MET A 1 18.310 -29.459 2.715 1.00 61.14 S ATOM 8 CE MET A 1 19.351 -29.947 4.084 1.00 51.32 C ATOM 0 H1 MET A 1 16.698 -33.437 1.572 1.00 74.31 H new ATOM 0 H2 MET A 1 15.411 -33.907 0.569 1.00 74.31 H new ATOM 0 H3 MET A 1 16.625 -32.883 -0.032 1.00 74.31 H new ATOM 0 HA MET A 1 14.808 -32.207 2.199 1.00 71.52 H new ATOM 0 HB2 MET A 1 16.709 -30.519 0.505 1.00 44.35 H new ATOM 0 HB3 MET A 1 15.603 -29.864 1.697 1.00 44.35 H new ATOM 0 HG2 MET A 1 16.778 -31.136 3.481 1.00 61.55 H new ATOM 0 HG3 MET A 1 17.888 -31.780 2.287 1.00 61.55 H new ATOM 0 HE1 MET A 1 20.051 -29.143 4.314 1.00 51.32 H new ATOM 0 HE2 MET A 1 18.732 -30.150 4.958 1.00 51.32 H new ATOM 0 HE3 MET A 1 19.906 -30.846 3.816 1.00 51.32 H new ATOM 20 N GLY A 2 13.006 -31.220 0.739 1.00 20.20 N ATOM 21 CA GLY A 2 11.940 -30.726 -0.129 1.00 25.22 C ATOM 22 C GLY A 2 12.117 -29.247 -0.465 1.00 24.13 C ATOM 23 O GLY A 2 11.997 -28.388 0.409 1.00 23.03 O ATOM 0 H GLY A 2 12.763 -31.266 1.729 1.00 20.20 H new ATOM 0 HA2 GLY A 2 11.924 -31.308 -1.051 1.00 25.22 H new ATOM 0 HA3 GLY A 2 10.977 -30.874 0.359 1.00 25.22 H new ATOM 27 N HIS A 3 12.395 -28.943 -1.730 1.00 11.41 N ATOM 28 CA HIS A 3 12.729 -27.572 -2.134 1.00 10.21 C ATOM 29 C HIS A 3 11.481 -26.708 -2.393 1.00 44.14 C ATOM 30 O HIS A 3 10.859 -26.783 -3.453 1.00 4.45 O ATOM 31 CB HIS A 3 13.656 -27.582 -3.363 1.00 63.34 C ATOM 32 CG HIS A 3 13.178 -28.438 -4.504 1.00 35.31 C ATOM 33 ND1 HIS A 3 13.567 -29.749 -4.673 1.00 2.32 N ATOM 34 CD2 HIS A 3 12.353 -28.162 -5.544 1.00 14.45 C ATOM 35 CE1 HIS A 3 13.006 -30.240 -5.759 1.00 53.03 C ATOM 36 NE2 HIS A 3 12.265 -29.300 -6.304 1.00 33.13 N ATOM 0 H HIS A 3 12.397 -29.621 -2.492 1.00 11.41 H new ATOM 0 HA HIS A 3 13.256 -27.113 -1.298 1.00 10.21 H new ATOM 0 HB2 HIS A 3 13.775 -26.559 -3.719 1.00 63.34 H new ATOM 0 HB3 HIS A 3 14.642 -27.929 -3.055 1.00 63.34 H new ATOM 0 HD2 HIS A 3 11.858 -27.222 -5.738 1.00 14.45 H new ATOM 0 HE1 HIS A 3 13.133 -31.244 -6.137 1.00 53.03 H new ATOM 0 HE2 HIS A 3 11.713 -29.401 -7.156 1.00 33.13 H new ATOM 45 N HIS A 4 11.115 -25.894 -1.407 1.00 51.50 N ATOM 46 CA HIS A 4 10.017 -24.930 -1.551 1.00 74.43 C ATOM 47 C HIS A 4 10.563 -23.495 -1.625 1.00 24.35 C ATOM 48 O HIS A 4 11.074 -22.968 -0.638 1.00 62.32 O ATOM 49 CB HIS A 4 9.041 -25.044 -0.372 1.00 54.43 C ATOM 50 CG HIS A 4 8.309 -26.351 -0.301 1.00 12.22 C ATOM 51 ND1 HIS A 4 7.000 -26.499 -0.706 1.00 41.31 N ATOM 52 CD2 HIS A 4 8.699 -27.567 0.153 1.00 74.20 C ATOM 53 CE1 HIS A 4 6.615 -27.741 -0.502 1.00 73.34 C ATOM 54 NE2 HIS A 4 7.623 -28.411 0.016 1.00 22.31 N ATOM 0 H HIS A 4 11.564 -25.880 -0.491 1.00 51.50 H new ATOM 0 HA HIS A 4 9.489 -25.159 -2.476 1.00 74.43 H new ATOM 0 HB2 HIS A 4 9.593 -24.899 0.557 1.00 54.43 H new ATOM 0 HB3 HIS A 4 8.312 -24.236 -0.439 1.00 54.43 H new ATOM 0 HD2 HIS A 4 9.671 -27.824 0.548 1.00 74.20 H new ATOM 0 HE1 HIS A 4 5.637 -28.143 -0.722 1.00 73.34 H new ATOM 0 HE2 HIS A 4 7.608 -29.398 0.274 1.00 22.31 H new ATOM 63 N HIS A 5 10.455 -22.863 -2.793 1.00 42.43 N ATOM 64 CA HIS A 5 10.946 -21.490 -2.966 1.00 24.51 C ATOM 65 C HIS A 5 9.859 -20.454 -2.641 1.00 21.15 C ATOM 66 O HIS A 5 8.717 -20.557 -3.097 1.00 21.24 O ATOM 67 CB HIS A 5 11.483 -21.287 -4.388 1.00 11.02 C ATOM 68 CG HIS A 5 12.749 -22.048 -4.652 1.00 15.43 C ATOM 69 ND1 HIS A 5 12.909 -22.905 -5.719 1.00 64.13 N ATOM 70 CD2 HIS A 5 13.928 -22.065 -3.984 1.00 53.13 C ATOM 71 CE1 HIS A 5 14.123 -23.414 -5.695 1.00 31.22 C ATOM 72 NE2 HIS A 5 14.761 -22.923 -4.657 1.00 34.05 N ATOM 0 H HIS A 5 10.036 -23.272 -3.628 1.00 42.43 H new ATOM 0 HA HIS A 5 11.763 -21.338 -2.260 1.00 24.51 H new ATOM 0 HB2 HIS A 5 10.723 -21.597 -5.105 1.00 11.02 H new ATOM 0 HB3 HIS A 5 11.663 -20.225 -4.554 1.00 11.02 H new ATOM 0 HD2 HIS A 5 14.167 -21.508 -3.090 1.00 53.13 H new ATOM 0 HE1 HIS A 5 14.526 -24.117 -6.409 1.00 31.22 H new ATOM 0 HE2 HIS A 5 15.721 -23.144 -4.394 1.00 34.05 H new ATOM 81 N HIS A 6 10.235 -19.453 -1.856 1.00 54.10 N ATOM 82 CA HIS A 6 9.299 -18.438 -1.372 1.00 30.43 C ATOM 83 C HIS A 6 8.909 -17.441 -2.475 1.00 4.32 C ATOM 84 O HIS A 6 9.660 -17.225 -3.428 1.00 73.32 O ATOM 85 CB HIS A 6 9.915 -17.706 -0.179 1.00 34.24 C ATOM 86 CG HIS A 6 10.301 -18.629 0.940 1.00 21.25 C ATOM 87 ND1 HIS A 6 11.603 -19.011 1.191 1.00 41.01 N ATOM 88 CD2 HIS A 6 9.546 -19.255 1.876 1.00 33.10 C ATOM 89 CE1 HIS A 6 11.630 -19.829 2.225 1.00 45.30 C ATOM 90 NE2 HIS A 6 10.399 -19.993 2.658 1.00 73.12 N ATOM 0 H HIS A 6 11.194 -19.319 -1.536 1.00 54.10 H new ATOM 0 HA HIS A 6 8.384 -18.941 -1.061 1.00 30.43 H new ATOM 0 HB2 HIS A 6 10.797 -17.159 -0.512 1.00 34.24 H new ATOM 0 HB3 HIS A 6 9.204 -16.969 0.194 1.00 34.24 H new ATOM 0 HD2 HIS A 6 8.474 -19.186 1.986 1.00 33.10 H new ATOM 0 HE1 HIS A 6 12.513 -20.287 2.645 1.00 45.30 H new ATOM 0 HE2 HIS A 6 10.122 -20.575 3.448 1.00 73.12 H new ATOM 99 N HIS A 7 7.718 -16.850 -2.334 1.00 14.13 N ATOM 100 CA HIS A 7 7.150 -15.926 -3.335 1.00 41.32 C ATOM 101 C HIS A 7 6.813 -16.634 -4.663 1.00 71.41 C ATOM 102 O HIS A 7 6.381 -15.993 -5.620 1.00 4.05 O ATOM 103 CB HIS A 7 8.084 -14.729 -3.586 1.00 22.32 C ATOM 104 CG HIS A 7 8.127 -13.744 -2.455 1.00 53.32 C ATOM 105 ND1 HIS A 7 9.263 -13.479 -1.722 1.00 60.14 N ATOM 106 CD2 HIS A 7 7.162 -12.938 -1.946 1.00 61.24 C ATOM 107 CE1 HIS A 7 8.998 -12.561 -0.814 1.00 71.20 C ATOM 108 NE2 HIS A 7 7.732 -12.214 -0.927 1.00 65.13 N ATOM 0 H HIS A 7 7.116 -16.996 -1.524 1.00 14.13 H new ATOM 0 HA HIS A 7 6.215 -15.554 -2.916 1.00 41.32 H new ATOM 0 HB2 HIS A 7 9.092 -15.100 -3.770 1.00 22.32 H new ATOM 0 HB3 HIS A 7 7.763 -14.214 -4.491 1.00 22.32 H new ATOM 0 HD2 HIS A 7 6.137 -12.877 -2.280 1.00 61.24 H new ATOM 0 HE1 HIS A 7 9.700 -12.161 -0.098 1.00 71.20 H new ATOM 0 HE2 HIS A 7 7.253 -11.521 -0.352 1.00 65.13 H new ATOM 117 N HIS A 8 6.994 -17.955 -4.704 1.00 52.14 N ATOM 118 CA HIS A 8 6.683 -18.758 -5.896 1.00 34.01 C ATOM 119 C HIS A 8 5.377 -19.556 -5.701 1.00 40.24 C ATOM 120 O HIS A 8 5.022 -20.411 -6.514 1.00 34.22 O ATOM 121 CB HIS A 8 7.860 -19.703 -6.192 1.00 2.50 C ATOM 122 CG HIS A 8 7.678 -20.551 -7.415 1.00 72.41 C ATOM 123 ND1 HIS A 8 7.658 -21.928 -7.375 1.00 4.54 N ATOM 124 CD2 HIS A 8 7.502 -20.214 -8.717 1.00 44.33 C ATOM 125 CE1 HIS A 8 7.478 -22.402 -8.589 1.00 4.11 C ATOM 126 NE2 HIS A 8 7.380 -21.387 -9.419 1.00 60.35 N ATOM 0 H HIS A 8 7.357 -18.498 -3.921 1.00 52.14 H new ATOM 0 HA HIS A 8 6.535 -18.090 -6.745 1.00 34.01 H new ATOM 0 HB2 HIS A 8 8.767 -19.110 -6.307 1.00 2.50 H new ATOM 0 HB3 HIS A 8 8.013 -20.355 -5.332 1.00 2.50 H new ATOM 0 HD2 HIS A 8 7.465 -19.214 -9.123 1.00 44.33 H new ATOM 0 HE1 HIS A 8 7.421 -23.446 -8.858 1.00 4.11 H new ATOM 0 HE2 HIS A 8 7.236 -21.460 -10.426 1.00 60.35 H new ATOM 135 N SER A 9 4.661 -19.265 -4.618 1.00 40.43 N ATOM 136 CA SER A 9 3.396 -19.947 -4.312 1.00 10.13 C ATOM 137 C SER A 9 2.553 -19.128 -3.326 1.00 15.22 C ATOM 138 O SER A 9 1.769 -18.264 -3.727 1.00 20.13 O ATOM 139 CB SER A 9 3.660 -21.358 -3.749 1.00 74.21 C ATOM 140 OG SER A 9 2.470 -21.965 -3.272 1.00 1.24 O ATOM 0 H SER A 9 4.932 -18.560 -3.933 1.00 40.43 H new ATOM 0 HA SER A 9 2.835 -20.043 -5.242 1.00 10.13 H new ATOM 0 HB2 SER A 9 4.101 -21.983 -4.526 1.00 74.21 H new ATOM 0 HB3 SER A 9 4.387 -21.296 -2.939 1.00 74.21 H new ATOM 0 HG SER A 9 2.675 -22.858 -2.924 1.00 1.24 H new ATOM 146 N HIS A 10 2.735 -19.383 -2.031 1.00 73.34 N ATOM 147 CA HIS A 10 2.031 -18.636 -0.984 1.00 33.13 C ATOM 148 C HIS A 10 3.029 -17.969 -0.025 1.00 54.50 C ATOM 149 O HIS A 10 3.698 -18.650 0.756 1.00 52.54 O ATOM 150 CB HIS A 10 1.097 -19.569 -0.203 1.00 61.11 C ATOM 151 CG HIS A 10 0.371 -18.887 0.914 1.00 74.51 C ATOM 152 ND1 HIS A 10 0.903 -18.746 2.177 1.00 10.44 N ATOM 153 CD2 HIS A 10 -0.846 -18.295 0.956 1.00 12.33 C ATOM 154 CE1 HIS A 10 0.051 -18.102 2.943 1.00 20.32 C ATOM 155 NE2 HIS A 10 -1.017 -17.814 2.230 1.00 21.22 N ATOM 0 H HIS A 10 3.366 -20.103 -1.679 1.00 73.34 H new ATOM 0 HA HIS A 10 1.437 -17.857 -1.462 1.00 33.13 H new ATOM 0 HB2 HIS A 10 0.369 -20.000 -0.890 1.00 61.11 H new ATOM 0 HB3 HIS A 10 1.679 -20.396 0.204 1.00 61.11 H new ATOM 0 HD2 HIS A 10 -1.550 -18.216 0.141 1.00 12.33 H new ATOM 0 HE1 HIS A 10 0.202 -17.851 3.983 1.00 20.32 H new ATOM 0 HE2 HIS A 10 -1.839 -17.314 2.569 1.00 21.22 H new ATOM 164 N PRO A 11 3.158 -16.630 -0.079 1.00 52.12 N ATOM 165 CA PRO A 11 4.063 -15.889 0.813 1.00 12.42 C ATOM 166 C PRO A 11 3.515 -15.759 2.246 1.00 32.30 C ATOM 167 O PRO A 11 2.307 -15.630 2.449 1.00 43.11 O ATOM 168 CB PRO A 11 4.154 -14.512 0.138 1.00 24.02 C ATOM 169 CG PRO A 11 2.846 -14.348 -0.561 1.00 74.24 C ATOM 170 CD PRO A 11 2.441 -15.732 -1.013 1.00 32.13 C ATOM 0 HA PRO A 11 5.023 -16.391 0.934 1.00 12.42 H new ATOM 0 HB2 PRO A 11 4.314 -13.721 0.871 1.00 24.02 H new ATOM 0 HB3 PRO A 11 4.987 -14.469 -0.564 1.00 24.02 H new ATOM 0 HG2 PRO A 11 2.098 -13.921 0.106 1.00 74.24 H new ATOM 0 HG3 PRO A 11 2.939 -13.671 -1.411 1.00 74.24 H new ATOM 0 HD2 PRO A 11 1.362 -15.873 -0.954 1.00 32.13 H new ATOM 0 HD3 PRO A 11 2.731 -15.916 -2.048 1.00 32.13 H new ATOM 178 N ASN A 12 4.404 -15.802 3.241 1.00 25.31 N ATOM 179 CA ASN A 12 3.993 -15.598 4.636 1.00 2.24 C ATOM 180 C ASN A 12 3.604 -14.128 4.882 1.00 44.01 C ATOM 181 O ASN A 12 3.736 -13.283 3.990 1.00 21.33 O ATOM 182 CB ASN A 12 5.108 -16.020 5.604 1.00 10.10 C ATOM 183 CG ASN A 12 6.326 -15.120 5.527 1.00 74.24 C ATOM 184 OD1 ASN A 12 6.384 -14.083 6.173 1.00 31.41 O ATOM 185 ND2 ASN A 12 7.312 -15.509 4.746 1.00 20.11 N ATOM 0 H ASN A 12 5.401 -15.974 3.112 1.00 25.31 H new ATOM 0 HA ASN A 12 3.120 -16.224 4.821 1.00 2.24 H new ATOM 0 HB2 ASN A 12 4.720 -16.012 6.623 1.00 10.10 H new ATOM 0 HB3 ASN A 12 5.405 -17.045 5.384 1.00 10.10 H new ATOM 0 HD21 ASN A 12 8.155 -14.940 4.667 1.00 20.11 H new ATOM 0 HD22 ASN A 12 7.233 -16.379 4.220 1.00 20.11 H new ATOM 192 N GLU A 13 3.141 -13.823 6.092 1.00 20.43 N ATOM 193 CA GLU A 13 2.693 -12.466 6.422 1.00 3.11 C ATOM 194 C GLU A 13 3.789 -11.417 6.181 1.00 4.32 C ATOM 195 O GLU A 13 3.527 -10.346 5.630 1.00 2.11 O ATOM 196 CB GLU A 13 2.205 -12.400 7.872 1.00 14.44 C ATOM 197 CG GLU A 13 1.698 -11.020 8.286 1.00 24.12 C ATOM 198 CD GLU A 13 0.935 -11.050 9.596 1.00 23.23 C ATOM 199 OE1 GLU A 13 -0.166 -11.643 9.619 1.00 51.11 O ATOM 200 OE2 GLU A 13 1.420 -10.489 10.594 1.00 51.32 O ATOM 0 H GLU A 13 3.065 -14.491 6.859 1.00 20.43 H new ATOM 0 HA GLU A 13 1.865 -12.230 5.754 1.00 3.11 H new ATOM 0 HB2 GLU A 13 1.406 -13.128 8.011 1.00 14.44 H new ATOM 0 HB3 GLU A 13 3.020 -12.692 8.534 1.00 14.44 H new ATOM 0 HG2 GLU A 13 2.544 -10.338 8.377 1.00 24.12 H new ATOM 0 HG3 GLU A 13 1.052 -10.624 7.502 1.00 24.12 H new ATOM 207 N GLU A 14 5.013 -11.722 6.586 1.00 23.32 N ATOM 208 CA GLU A 14 6.136 -10.811 6.368 1.00 43.32 C ATOM 209 C GLU A 14 6.530 -10.761 4.882 1.00 20.03 C ATOM 210 O GLU A 14 6.932 -9.720 4.367 1.00 64.45 O ATOM 211 CB GLU A 14 7.338 -11.234 7.220 1.00 63.22 C ATOM 212 CG GLU A 14 8.455 -10.196 7.270 1.00 51.32 C ATOM 213 CD GLU A 14 8.029 -8.882 7.913 1.00 24.44 C ATOM 214 OE1 GLU A 14 7.035 -8.869 8.670 1.00 33.01 O ATOM 215 OE2 GLU A 14 8.696 -7.854 7.676 1.00 62.14 O ATOM 0 H GLU A 14 5.257 -12.588 7.066 1.00 23.32 H new ATOM 0 HA GLU A 14 5.822 -9.812 6.669 1.00 43.32 H new ATOM 0 HB2 GLU A 14 6.998 -11.437 8.236 1.00 63.22 H new ATOM 0 HB3 GLU A 14 7.740 -12.167 6.826 1.00 63.22 H new ATOM 0 HG2 GLU A 14 9.299 -10.607 7.824 1.00 51.32 H new ATOM 0 HG3 GLU A 14 8.805 -10.000 6.256 1.00 51.32 H new ATOM 222 N ALA A 15 6.399 -11.897 4.196 1.00 71.14 N ATOM 223 CA ALA A 15 6.741 -11.994 2.768 1.00 51.13 C ATOM 224 C ALA A 15 5.805 -11.147 1.887 1.00 31.41 C ATOM 225 O ALA A 15 6.246 -10.548 0.903 1.00 70.24 O ATOM 226 CB ALA A 15 6.718 -13.448 2.314 1.00 30.21 C ATOM 0 H ALA A 15 6.058 -12.768 4.604 1.00 71.14 H new ATOM 0 HA ALA A 15 7.749 -11.596 2.650 1.00 51.13 H new ATOM 0 HB1 ALA A 15 6.973 -13.503 1.256 1.00 30.21 H new ATOM 0 HB2 ALA A 15 7.443 -14.021 2.892 1.00 30.21 H new ATOM 0 HB3 ALA A 15 5.722 -13.862 2.469 1.00 30.21 H new ATOM 232 N ARG A 16 4.511 -11.119 2.223 1.00 3.52 N ATOM 233 CA ARG A 16 3.555 -10.248 1.522 1.00 14.13 C ATOM 234 C ARG A 16 3.819 -8.769 1.868 1.00 24.20 C ATOM 235 O ARG A 16 3.657 -7.881 1.030 1.00 71.40 O ATOM 236 CB ARG A 16 2.097 -10.639 1.854 1.00 15.15 C ATOM 237 CG ARG A 16 1.753 -10.580 3.341 1.00 2.14 C ATOM 238 CD ARG A 16 0.312 -11.002 3.631 1.00 3.11 C ATOM 239 NE ARG A 16 0.033 -11.043 5.071 1.00 73.55 N ATOM 240 CZ ARG A 16 -1.132 -11.345 5.591 1.00 44.14 C ATOM 241 NH1 ARG A 16 -2.157 -11.570 4.834 1.00 40.12 N ATOM 242 NH2 ARG A 16 -1.276 -11.401 6.877 1.00 74.20 N ATOM 0 H ARG A 16 4.102 -11.683 2.968 1.00 3.52 H new ATOM 0 HA ARG A 16 3.698 -10.382 0.450 1.00 14.13 H new ATOM 0 HB2 ARG A 16 1.423 -9.977 1.311 1.00 15.15 H new ATOM 0 HB3 ARG A 16 1.913 -11.650 1.490 1.00 15.15 H new ATOM 0 HG2 ARG A 16 2.435 -11.227 3.893 1.00 2.14 H new ATOM 0 HG3 ARG A 16 1.910 -9.565 3.706 1.00 2.14 H new ATOM 0 HD2 ARG A 16 -0.374 -10.306 3.148 1.00 3.11 H new ATOM 0 HD3 ARG A 16 0.127 -11.985 3.197 1.00 3.11 H new ATOM 0 HE ARG A 16 0.796 -10.822 5.710 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -2.064 -11.513 3.820 1.00 40.12 H new ATOM 0 HH12 ARG A 16 -3.058 -11.804 5.251 1.00 40.12 H new ATOM 0 HH21 ARG A 16 -0.482 -11.210 7.488 1.00 74.20 H new ATOM 0 HH22 ARG A 16 -2.184 -11.636 7.279 1.00 74.20 H new ATOM 256 N LEU A 17 4.250 -8.522 3.106 1.00 60.45 N ATOM 257 CA LEU A 17 4.644 -7.177 3.544 1.00 62.34 C ATOM 258 C LEU A 17 5.922 -6.704 2.834 1.00 35.30 C ATOM 259 O LEU A 17 6.043 -5.537 2.454 1.00 14.21 O ATOM 260 CB LEU A 17 4.856 -7.167 5.067 1.00 30.43 C ATOM 261 CG LEU A 17 5.539 -5.912 5.636 1.00 14.41 C ATOM 262 CD1 LEU A 17 4.739 -4.662 5.299 1.00 73.12 C ATOM 263 CD2 LEU A 17 5.736 -6.037 7.146 1.00 12.22 C ATOM 0 H LEU A 17 4.336 -9.238 3.828 1.00 60.45 H new ATOM 0 HA LEU A 17 3.841 -6.488 3.281 1.00 62.34 H new ATOM 0 HB2 LEU A 17 3.886 -7.282 5.551 1.00 30.43 H new ATOM 0 HB3 LEU A 17 5.453 -8.038 5.338 1.00 30.43 H new ATOM 0 HG LEU A 17 6.521 -5.823 5.172 1.00 14.41 H new ATOM 0 HD11 LEU A 17 5.241 -3.787 5.711 1.00 73.12 H new ATOM 0 HD12 LEU A 17 4.662 -4.560 4.217 1.00 73.12 H new ATOM 0 HD13 LEU A 17 3.740 -4.743 5.727 1.00 73.12 H new ATOM 0 HD21 LEU A 17 6.221 -5.137 7.525 1.00 12.22 H new ATOM 0 HD22 LEU A 17 4.767 -6.159 7.630 1.00 12.22 H new ATOM 0 HD23 LEU A 17 6.361 -6.904 7.361 1.00 12.22 H new ATOM 275 N ASP A 18 6.869 -7.618 2.655 1.00 22.12 N ATOM 276 CA ASP A 18 8.164 -7.295 2.053 1.00 41.41 C ATOM 277 C ASP A 18 7.991 -6.653 0.660 1.00 4.14 C ATOM 278 O ASP A 18 8.800 -5.820 0.237 1.00 20.13 O ATOM 279 CB ASP A 18 9.027 -8.563 1.975 1.00 52.24 C ATOM 280 CG ASP A 18 10.481 -8.289 2.316 1.00 53.04 C ATOM 281 OD1 ASP A 18 10.789 -8.116 3.516 1.00 1.13 O ATOM 282 OD2 ASP A 18 11.320 -8.245 1.393 1.00 14.22 O ATOM 0 H ASP A 18 6.766 -8.598 2.920 1.00 22.12 H new ATOM 0 HA ASP A 18 8.669 -6.563 2.683 1.00 41.41 H new ATOM 0 HB2 ASP A 18 8.630 -9.313 2.659 1.00 52.24 H new ATOM 0 HB3 ASP A 18 8.964 -8.982 0.971 1.00 52.24 H new ATOM 287 N ILE A 19 6.917 -7.034 -0.029 1.00 24.23 N ATOM 288 CA ILE A 19 6.568 -6.444 -1.329 1.00 25.23 C ATOM 289 C ILE A 19 6.149 -4.972 -1.160 1.00 51.32 C ATOM 290 O ILE A 19 6.600 -4.091 -1.901 1.00 65.05 O ATOM 291 CB ILE A 19 5.406 -7.224 -1.998 1.00 43.33 C ATOM 292 CG1 ILE A 19 5.668 -8.738 -1.953 1.00 3.12 C ATOM 293 CG2 ILE A 19 5.214 -6.762 -3.443 1.00 44.42 C ATOM 294 CD1 ILE A 19 4.477 -9.576 -2.374 1.00 33.44 C ATOM 0 H ILE A 19 6.267 -7.753 0.290 1.00 24.23 H new ATOM 0 HA ILE A 19 7.452 -6.502 -1.964 1.00 25.23 H new ATOM 0 HB ILE A 19 4.492 -7.017 -1.441 1.00 43.33 H new ATOM 0 HG12 ILE A 19 6.512 -8.971 -2.602 1.00 3.12 H new ATOM 0 HG13 ILE A 19 5.958 -9.018 -0.940 1.00 3.12 H new ATOM 0 HG21 ILE A 19 4.395 -7.319 -3.897 1.00 44.42 H new ATOM 0 HG22 ILE A 19 4.980 -5.698 -3.457 1.00 44.42 H new ATOM 0 HG23 ILE A 19 6.130 -6.939 -4.006 1.00 44.42 H new ATOM 0 HD11 ILE A 19 4.737 -10.633 -2.317 1.00 33.44 H new ATOM 0 HD12 ILE A 19 3.636 -9.373 -1.710 1.00 33.44 H new ATOM 0 HD13 ILE A 19 4.200 -9.326 -3.398 1.00 33.44 H new ATOM 306 N LEU A 20 5.279 -4.723 -0.180 1.00 62.45 N ATOM 307 CA LEU A 20 4.836 -3.363 0.162 1.00 34.51 C ATOM 308 C LEU A 20 6.031 -2.464 0.508 1.00 61.34 C ATOM 309 O LEU A 20 6.084 -1.297 0.107 1.00 74.45 O ATOM 310 CB LEU A 20 3.857 -3.412 1.344 1.00 12.32 C ATOM 311 CG LEU A 20 2.490 -4.048 1.036 1.00 23.45 C ATOM 312 CD1 LEU A 20 1.742 -4.383 2.324 1.00 12.44 C ATOM 313 CD2 LEU A 20 1.651 -3.116 0.161 1.00 45.44 C ATOM 0 H LEU A 20 4.861 -5.452 0.399 1.00 62.45 H new ATOM 0 HA LEU A 20 4.332 -2.940 -0.707 1.00 34.51 H new ATOM 0 HB2 LEU A 20 4.323 -3.967 2.158 1.00 12.32 H new ATOM 0 HB3 LEU A 20 3.694 -2.396 1.703 1.00 12.32 H new ATOM 0 HG LEU A 20 2.664 -4.976 0.491 1.00 23.45 H new ATOM 0 HD11 LEU A 20 0.779 -4.831 2.079 1.00 12.44 H new ATOM 0 HD12 LEU A 20 2.330 -5.086 2.914 1.00 12.44 H new ATOM 0 HD13 LEU A 20 1.582 -3.471 2.900 1.00 12.44 H new ATOM 0 HD21 LEU A 20 0.688 -3.582 -0.047 1.00 45.44 H new ATOM 0 HD22 LEU A 20 1.493 -2.172 0.682 1.00 45.44 H new ATOM 0 HD23 LEU A 20 2.174 -2.929 -0.777 1.00 45.44 H new ATOM 325 N LYS A 21 6.992 -3.014 1.251 1.00 22.24 N ATOM 326 CA LYS A 21 8.235 -2.299 1.561 1.00 3.53 C ATOM 327 C LYS A 21 8.899 -1.773 0.281 1.00 61.43 C ATOM 328 O LYS A 21 9.149 -0.577 0.142 1.00 44.23 O ATOM 329 CB LYS A 21 9.226 -3.218 2.281 1.00 42.45 C ATOM 330 CG LYS A 21 8.724 -3.808 3.594 1.00 41.24 C ATOM 331 CD LYS A 21 9.744 -4.790 4.160 1.00 5.01 C ATOM 332 CE LYS A 21 9.266 -5.479 5.429 1.00 52.04 C ATOM 333 NZ LYS A 21 10.247 -6.496 5.891 1.00 71.53 N ATOM 0 H LYS A 21 6.936 -3.951 1.650 1.00 22.24 H new ATOM 0 HA LYS A 21 7.974 -1.461 2.208 1.00 3.53 H new ATOM 0 HB2 LYS A 21 9.492 -4.036 1.611 1.00 42.45 H new ATOM 0 HB3 LYS A 21 10.140 -2.658 2.478 1.00 42.45 H new ATOM 0 HG2 LYS A 21 8.541 -3.009 4.313 1.00 41.24 H new ATOM 0 HG3 LYS A 21 7.773 -4.315 3.432 1.00 41.24 H new ATOM 0 HD2 LYS A 21 9.970 -5.545 3.407 1.00 5.01 H new ATOM 0 HD3 LYS A 21 10.673 -4.260 4.369 1.00 5.01 H new ATOM 0 HE2 LYS A 21 9.111 -4.737 6.212 1.00 52.04 H new ATOM 0 HE3 LYS A 21 8.303 -5.956 5.246 1.00 52.04 H new ATOM 0 HZ1 LYS A 21 9.813 -7.087 6.629 1.00 71.53 H new ATOM 0 HZ2 LYS A 21 10.529 -7.095 5.089 1.00 71.53 H new ATOM 0 HZ3 LYS A 21 11.086 -6.018 6.278 1.00 71.53 H new ATOM 347 N ILE A 22 9.161 -2.683 -0.658 1.00 4.04 N ATOM 348 CA ILE A 22 9.851 -2.337 -1.907 1.00 52.15 C ATOM 349 C ILE A 22 9.118 -1.232 -2.689 1.00 62.10 C ATOM 350 O ILE A 22 9.706 -0.204 -3.029 1.00 63.20 O ATOM 351 CB ILE A 22 10.019 -3.575 -2.826 1.00 51.13 C ATOM 352 CG1 ILE A 22 10.763 -4.701 -2.085 1.00 73.35 C ATOM 353 CG2 ILE A 22 10.763 -3.191 -4.108 1.00 13.12 C ATOM 354 CD1 ILE A 22 10.905 -5.977 -2.893 1.00 1.13 C ATOM 0 H ILE A 22 8.906 -3.668 -0.580 1.00 4.04 H new ATOM 0 HA ILE A 22 10.833 -1.966 -1.614 1.00 52.15 H new ATOM 0 HB ILE A 22 9.029 -3.940 -3.098 1.00 51.13 H new ATOM 0 HG12 ILE A 22 11.755 -4.346 -1.807 1.00 73.35 H new ATOM 0 HG13 ILE A 22 10.233 -4.925 -1.159 1.00 73.35 H new ATOM 0 HG21 ILE A 22 10.873 -4.071 -4.742 1.00 13.12 H new ATOM 0 HG22 ILE A 22 10.198 -2.427 -4.642 1.00 13.12 H new ATOM 0 HG23 ILE A 22 11.749 -2.802 -3.854 1.00 13.12 H new ATOM 0 HD11 ILE A 22 11.439 -6.723 -2.304 1.00 1.13 H new ATOM 0 HD12 ILE A 22 9.916 -6.357 -3.149 1.00 1.13 H new ATOM 0 HD13 ILE A 22 11.462 -5.769 -3.807 1.00 1.13 H new ATOM 366 N HIS A 23 7.830 -1.437 -2.963 1.00 3.53 N ATOM 367 CA HIS A 23 7.050 -0.478 -3.765 1.00 3.51 C ATOM 368 C HIS A 23 6.889 0.879 -3.057 1.00 25.33 C ATOM 369 O HIS A 23 6.760 1.917 -3.710 1.00 53.14 O ATOM 370 CB HIS A 23 5.676 -1.066 -4.115 1.00 42.12 C ATOM 371 CG HIS A 23 5.745 -2.182 -5.114 1.00 22.45 C ATOM 372 ND1 HIS A 23 5.969 -3.510 -4.962 1.00 55.00 N flip ATOM 373 CD2 HIS A 23 5.586 -1.981 -6.468 1.00 34.41 C flip ATOM 374 CE1 HIS A 23 5.942 -4.069 -6.215 1.00 51.55 C flip ATOM 375 NE2 HIS A 23 5.709 -3.127 -7.100 1.00 64.43 N flip ATOM 0 H HIS A 23 7.302 -2.251 -2.647 1.00 3.53 H new ATOM 0 HA HIS A 23 7.607 -0.298 -4.684 1.00 3.51 H new ATOM 0 HB2 HIS A 23 5.203 -1.432 -3.204 1.00 42.12 H new ATOM 0 HB3 HIS A 23 5.039 -0.274 -4.509 1.00 42.12 H new ATOM 0 HD1 HIS A 23 6.128 -4.001 -4.082 1.00 55.00 H new ATOM 0 HD2 HIS A 23 5.390 -1.028 -6.938 1.00 34.41 H new ATOM 0 HE1 HIS A 23 6.089 -5.116 -6.438 1.00 51.55 H new ATOM 384 N SER A 24 6.914 0.876 -1.727 1.00 3.03 N ATOM 385 CA SER A 24 6.767 2.119 -0.954 1.00 24.14 C ATOM 386 C SER A 24 8.064 2.940 -0.930 1.00 11.24 C ATOM 387 O SER A 24 8.053 4.105 -0.545 1.00 60.41 O ATOM 388 CB SER A 24 6.327 1.821 0.486 1.00 33.11 C ATOM 389 OG SER A 24 7.331 1.114 1.201 1.00 71.34 O ATOM 0 H SER A 24 7.033 0.037 -1.160 1.00 3.03 H new ATOM 0 HA SER A 24 5.998 2.708 -1.454 1.00 24.14 H new ATOM 0 HB2 SER A 24 6.103 2.756 1.000 1.00 33.11 H new ATOM 0 HB3 SER A 24 5.408 1.236 0.473 1.00 33.11 H new ATOM 0 HG SER A 24 7.792 0.498 0.594 1.00 71.34 H new ATOM 395 N ARG A 25 9.179 2.336 -1.355 1.00 50.14 N ATOM 396 CA ARG A 25 10.481 3.027 -1.341 1.00 74.13 C ATOM 397 C ARG A 25 10.487 4.264 -2.255 1.00 0.12 C ATOM 398 O ARG A 25 11.269 5.192 -2.049 1.00 40.55 O ATOM 399 CB ARG A 25 11.620 2.078 -1.758 1.00 15.43 C ATOM 400 CG ARG A 25 11.768 0.823 -0.891 1.00 2.10 C ATOM 401 CD ARG A 25 11.891 1.141 0.599 1.00 31.21 C ATOM 402 NE ARG A 25 10.597 1.468 1.197 1.00 52.41 N ATOM 403 CZ ARG A 25 10.435 2.170 2.285 1.00 3.53 C ATOM 404 NH1 ARG A 25 11.453 2.643 2.934 1.00 34.02 N ATOM 405 NH2 ARG A 25 9.244 2.399 2.723 1.00 2.33 N ATOM 0 H ARG A 25 9.211 1.380 -1.710 1.00 50.14 H new ATOM 0 HA ARG A 25 10.645 3.356 -0.315 1.00 74.13 H new ATOM 0 HB2 ARG A 25 11.457 1.770 -2.791 1.00 15.43 H new ATOM 0 HB3 ARG A 25 12.560 2.630 -1.735 1.00 15.43 H new ATOM 0 HG2 ARG A 25 10.906 0.175 -1.049 1.00 2.10 H new ATOM 0 HG3 ARG A 25 12.649 0.267 -1.213 1.00 2.10 H new ATOM 0 HD2 ARG A 25 12.325 0.286 1.118 1.00 31.21 H new ATOM 0 HD3 ARG A 25 12.576 1.978 0.736 1.00 31.21 H new ATOM 0 HE ARG A 25 9.759 1.122 0.729 1.00 52.41 H new ATOM 0 HH11 ARG A 25 12.399 2.468 2.596 1.00 34.02 H new ATOM 0 HH12 ARG A 25 11.307 3.190 3.783 1.00 34.02 H new ATOM 0 HH21 ARG A 25 8.436 2.032 2.220 1.00 2.33 H new ATOM 0 HH22 ARG A 25 9.110 2.947 3.573 1.00 2.33 H new ATOM 419 N LYS A 26 9.625 4.268 -3.270 1.00 13.33 N ATOM 420 CA LYS A 26 9.536 5.400 -4.205 1.00 12.51 C ATOM 421 C LYS A 26 8.503 6.447 -3.747 1.00 64.04 C ATOM 422 O LYS A 26 8.392 7.524 -4.339 1.00 24.55 O ATOM 423 CB LYS A 26 9.183 4.897 -5.614 1.00 63.32 C ATOM 424 CG LYS A 26 10.253 4.004 -6.236 1.00 2.12 C ATOM 425 CD LYS A 26 9.865 3.557 -7.644 1.00 34.43 C ATOM 426 CE LYS A 26 10.967 2.734 -8.305 1.00 34.42 C ATOM 427 NZ LYS A 26 11.275 1.494 -7.546 1.00 63.32 N ATOM 0 H LYS A 26 8.978 3.505 -3.470 1.00 13.33 H new ATOM 0 HA LYS A 26 10.512 5.885 -4.224 1.00 12.51 H new ATOM 0 HB2 LYS A 26 8.244 4.345 -5.568 1.00 63.32 H new ATOM 0 HB3 LYS A 26 9.016 5.755 -6.265 1.00 63.32 H new ATOM 0 HG2 LYS A 26 11.200 4.542 -6.273 1.00 2.12 H new ATOM 0 HG3 LYS A 26 10.408 3.128 -5.606 1.00 2.12 H new ATOM 0 HD2 LYS A 26 8.950 2.967 -7.598 1.00 34.43 H new ATOM 0 HD3 LYS A 26 9.649 4.433 -8.256 1.00 34.43 H new ATOM 0 HE2 LYS A 26 10.664 2.471 -9.318 1.00 34.42 H new ATOM 0 HE3 LYS A 26 11.869 3.340 -8.389 1.00 34.42 H new ATOM 0 HZ1 LYS A 26 11.928 0.902 -8.098 1.00 63.32 H new ATOM 0 HZ2 LYS A 26 11.717 1.743 -6.638 1.00 63.32 H new ATOM 0 HZ3 LYS A 26 10.396 0.967 -7.370 1.00 63.32 H new ATOM 441 N MET A 27 7.753 6.135 -2.691 1.00 2.11 N ATOM 442 CA MET A 27 6.711 7.040 -2.186 1.00 45.11 C ATOM 443 C MET A 27 6.997 7.468 -0.740 1.00 4.42 C ATOM 444 O MET A 27 7.464 6.672 0.075 1.00 3.00 O ATOM 445 CB MET A 27 5.331 6.372 -2.270 1.00 54.12 C ATOM 446 CG MET A 27 4.943 5.951 -3.681 1.00 13.11 C ATOM 447 SD MET A 27 3.275 5.274 -3.777 1.00 35.45 S ATOM 448 CE MET A 27 3.372 3.931 -2.592 1.00 75.24 C ATOM 0 H MET A 27 7.844 5.265 -2.167 1.00 2.11 H new ATOM 0 HA MET A 27 6.715 7.931 -2.814 1.00 45.11 H new ATOM 0 HB2 MET A 27 5.321 5.495 -1.622 1.00 54.12 H new ATOM 0 HB3 MET A 27 4.579 7.061 -1.886 1.00 54.12 H new ATOM 0 HG2 MET A 27 5.019 6.812 -4.345 1.00 13.11 H new ATOM 0 HG3 MET A 27 5.653 5.207 -4.041 1.00 13.11 H new ATOM 0 HE1 MET A 27 2.495 3.291 -2.694 1.00 75.24 H new ATOM 0 HE2 MET A 27 4.272 3.345 -2.779 1.00 75.24 H new ATOM 0 HE3 MET A 27 3.408 4.339 -1.582 1.00 75.24 H new ATOM 458 N ASN A 28 6.715 8.727 -0.429 1.00 11.35 N ATOM 459 CA ASN A 28 6.937 9.258 0.919 1.00 12.50 C ATOM 460 C ASN A 28 5.901 8.710 1.910 1.00 2.43 C ATOM 461 O ASN A 28 4.721 9.044 1.832 1.00 53.03 O ATOM 462 CB ASN A 28 6.868 10.787 0.901 1.00 11.53 C ATOM 463 CG ASN A 28 7.836 11.404 -0.088 1.00 4.43 C ATOM 464 OD1 ASN A 28 8.906 10.865 -0.353 1.00 5.02 O ATOM 465 ND2 ASN A 28 7.468 12.537 -0.650 1.00 21.12 N ATOM 0 H ASN A 28 6.332 9.403 -1.089 1.00 11.35 H new ATOM 0 HA ASN A 28 7.928 8.940 1.244 1.00 12.50 H new ATOM 0 HB2 ASN A 28 5.853 11.098 0.652 1.00 11.53 H new ATOM 0 HB3 ASN A 28 7.083 11.168 1.899 1.00 11.53 H new ATOM 0 HD21 ASN A 28 8.079 12.992 -1.328 1.00 21.12 H new ATOM 0 HD22 ASN A 28 6.572 12.959 -0.408 1.00 21.12 H new ATOM 472 N LEU A 29 6.341 7.864 2.832 1.00 62.34 N ATOM 473 CA LEU A 29 5.445 7.311 3.853 1.00 21.04 C ATOM 474 C LEU A 29 5.307 8.260 5.053 1.00 5.24 C ATOM 475 O LEU A 29 6.199 9.065 5.332 1.00 43.20 O ATOM 476 CB LEU A 29 5.958 5.946 4.324 1.00 4.10 C ATOM 477 CG LEU A 29 6.017 4.855 3.244 1.00 42.44 C ATOM 478 CD1 LEU A 29 6.512 3.541 3.837 1.00 3.52 C ATOM 479 CD2 LEU A 29 4.650 4.668 2.587 1.00 73.43 C ATOM 0 H LEU A 29 7.307 7.544 2.899 1.00 62.34 H new ATOM 0 HA LEU A 29 4.460 7.191 3.401 1.00 21.04 H new ATOM 0 HB2 LEU A 29 6.957 6.076 4.740 1.00 4.10 H new ATOM 0 HB3 LEU A 29 5.319 5.597 5.135 1.00 4.10 H new ATOM 0 HG LEU A 29 6.722 5.173 2.476 1.00 42.44 H new ATOM 0 HD11 LEU A 29 6.547 2.780 3.057 1.00 3.52 H new ATOM 0 HD12 LEU A 29 7.510 3.682 4.252 1.00 3.52 H new ATOM 0 HD13 LEU A 29 5.833 3.220 4.627 1.00 3.52 H new ATOM 0 HD21 LEU A 29 4.716 3.891 1.826 1.00 73.43 H new ATOM 0 HD22 LEU A 29 3.920 4.376 3.342 1.00 73.43 H new ATOM 0 HD23 LEU A 29 4.338 5.604 2.124 1.00 73.43 H new ATOM 491 N THR A 30 4.180 8.173 5.757 1.00 32.51 N ATOM 492 CA THR A 30 3.960 8.989 6.959 1.00 5.23 C ATOM 493 C THR A 30 4.669 8.399 8.189 1.00 31.31 C ATOM 494 O THR A 30 5.190 7.281 8.150 1.00 13.12 O ATOM 495 CB THR A 30 2.455 9.166 7.274 1.00 65.12 C ATOM 496 OG1 THR A 30 2.292 10.048 8.393 1.00 23.51 O ATOM 497 CG2 THR A 30 1.786 7.828 7.578 1.00 55.31 C ATOM 0 H THR A 30 3.407 7.551 5.521 1.00 32.51 H new ATOM 0 HA THR A 30 4.389 9.967 6.739 1.00 5.23 H new ATOM 0 HB THR A 30 1.977 9.593 6.392 1.00 65.12 H new ATOM 0 HG1 THR A 30 1.338 10.158 8.587 1.00 23.51 H new ATOM 0 HG21 THR A 30 0.730 7.990 7.795 1.00 55.31 H new ATOM 0 HG22 THR A 30 1.882 7.169 6.715 1.00 55.31 H new ATOM 0 HG23 THR A 30 2.267 7.368 8.441 1.00 55.31 H new ATOM 505 N ARG A 31 4.661 9.151 9.286 1.00 11.31 N ATOM 506 CA ARG A 31 5.406 8.783 10.495 1.00 54.01 C ATOM 507 C ARG A 31 4.838 7.524 11.175 1.00 73.52 C ATOM 508 O ARG A 31 3.697 7.515 11.639 1.00 24.42 O ATOM 509 CB ARG A 31 5.398 9.954 11.485 1.00 41.24 C ATOM 510 CG ARG A 31 5.936 11.254 10.897 1.00 14.31 C ATOM 511 CD ARG A 31 5.942 12.382 11.924 1.00 23.11 C ATOM 512 NE ARG A 31 6.405 13.644 11.352 1.00 24.32 N ATOM 513 CZ ARG A 31 6.809 14.662 12.058 1.00 11.44 C ATOM 514 NH1 ARG A 31 6.903 14.579 13.347 1.00 70.12 N ATOM 515 NH2 ARG A 31 7.141 15.760 11.466 1.00 14.34 N ATOM 0 H ARG A 31 4.144 10.026 9.366 1.00 11.31 H new ATOM 0 HA ARG A 31 6.427 8.555 10.190 1.00 54.01 H new ATOM 0 HB2 ARG A 31 4.378 10.117 11.834 1.00 41.24 H new ATOM 0 HB3 ARG A 31 5.994 9.686 12.357 1.00 41.24 H new ATOM 0 HG2 ARG A 31 6.949 11.094 10.528 1.00 14.31 H new ATOM 0 HG3 ARG A 31 5.327 11.545 10.041 1.00 14.31 H new ATOM 0 HD2 ARG A 31 4.936 12.513 12.324 1.00 23.11 H new ATOM 0 HD3 ARG A 31 6.584 12.107 12.761 1.00 23.11 H new ATOM 0 HE ARG A 31 6.413 13.734 10.336 1.00 24.32 H new ATOM 0 HH11 ARG A 31 6.659 13.709 13.821 1.00 70.12 H new ATOM 0 HH12 ARG A 31 7.221 15.383 13.888 1.00 70.12 H new ATOM 0 HH21 ARG A 31 7.086 15.828 10.450 1.00 14.34 H new ATOM 0 HH22 ARG A 31 7.458 16.559 12.014 1.00 14.34 H new ATOM 529 N GLY A 32 5.646 6.464 11.225 1.00 35.12 N ATOM 530 CA GLY A 32 5.253 5.241 11.920 1.00 61.22 C ATOM 531 C GLY A 32 4.134 4.471 11.225 1.00 11.43 C ATOM 532 O GLY A 32 3.410 3.712 11.869 1.00 42.12 O ATOM 0 H GLY A 32 6.570 6.429 10.795 1.00 35.12 H new ATOM 0 HA2 GLY A 32 6.124 4.592 12.015 1.00 61.22 H new ATOM 0 HA3 GLY A 32 4.933 5.495 12.931 1.00 61.22 H new ATOM 536 N ILE A 33 3.994 4.658 9.913 1.00 54.43 N ATOM 537 CA ILE A 33 2.949 3.971 9.145 1.00 14.24 C ATOM 538 C ILE A 33 3.056 2.438 9.285 1.00 72.04 C ATOM 539 O ILE A 33 4.093 1.839 8.983 1.00 62.22 O ATOM 540 CB ILE A 33 2.994 4.374 7.647 1.00 14.34 C ATOM 541 CG1 ILE A 33 1.859 3.689 6.863 1.00 2.44 C ATOM 542 CG2 ILE A 33 4.355 4.044 7.036 1.00 34.33 C ATOM 543 CD1 ILE A 33 1.778 4.106 5.408 1.00 60.15 C ATOM 0 H ILE A 33 4.587 5.276 9.359 1.00 54.43 H new ATOM 0 HA ILE A 33 1.991 4.285 9.560 1.00 14.24 H new ATOM 0 HB ILE A 33 2.848 5.452 7.581 1.00 14.34 H new ATOM 0 HG12 ILE A 33 1.996 2.609 6.914 1.00 2.44 H new ATOM 0 HG13 ILE A 33 0.909 3.913 7.348 1.00 2.44 H new ATOM 0 HG21 ILE A 33 4.363 4.335 5.986 1.00 34.33 H new ATOM 0 HG22 ILE A 33 5.135 4.588 7.569 1.00 34.33 H new ATOM 0 HG23 ILE A 33 4.540 2.973 7.117 1.00 34.33 H new ATOM 0 HD11 ILE A 33 0.955 3.581 4.924 1.00 60.15 H new ATOM 0 HD12 ILE A 33 1.609 5.181 5.346 1.00 60.15 H new ATOM 0 HD13 ILE A 33 2.713 3.857 4.905 1.00 60.15 H new ATOM 555 N ASN A 34 1.988 1.808 9.770 1.00 60.32 N ATOM 556 CA ASN A 34 1.972 0.352 9.944 1.00 74.13 C ATOM 557 C ASN A 34 1.620 -0.354 8.625 1.00 73.15 C ATOM 558 O ASN A 34 0.446 -0.554 8.306 1.00 55.13 O ATOM 559 CB ASN A 34 0.980 -0.048 11.047 1.00 52.11 C ATOM 560 CG ASN A 34 1.099 -1.513 11.444 1.00 65.03 C ATOM 561 OD1 ASN A 34 1.530 -2.355 10.666 1.00 53.00 O ATOM 562 ND2 ASN A 34 0.696 -1.834 12.654 1.00 72.02 N ATOM 0 H ASN A 34 1.126 2.277 10.049 1.00 60.32 H new ATOM 0 HA ASN A 34 2.971 0.036 10.244 1.00 74.13 H new ATOM 0 HB2 ASN A 34 1.148 0.576 11.924 1.00 52.11 H new ATOM 0 HB3 ASN A 34 -0.036 0.150 10.705 1.00 52.11 H new ATOM 0 HD21 ASN A 34 0.738 -2.805 12.965 1.00 72.02 H new ATOM 0 HD22 ASN A 34 0.341 -1.112 13.282 1.00 72.02 H new ATOM 569 N LEU A 35 2.647 -0.710 7.853 1.00 10.52 N ATOM 570 CA LEU A 35 2.454 -1.413 6.577 1.00 52.43 C ATOM 571 C LEU A 35 2.012 -2.872 6.794 1.00 31.34 C ATOM 572 O LEU A 35 1.284 -3.438 5.978 1.00 54.31 O ATOM 573 CB LEU A 35 3.748 -1.382 5.747 1.00 51.21 C ATOM 574 CG LEU A 35 4.220 0.009 5.293 1.00 11.44 C ATOM 575 CD1 LEU A 35 5.534 -0.098 4.521 1.00 34.41 C ATOM 576 CD2 LEU A 35 3.149 0.694 4.444 1.00 2.44 C ATOM 0 H LEU A 35 3.623 -0.525 8.086 1.00 10.52 H new ATOM 0 HA LEU A 35 1.663 -0.895 6.035 1.00 52.43 H new ATOM 0 HB2 LEU A 35 4.544 -1.841 6.333 1.00 51.21 H new ATOM 0 HB3 LEU A 35 3.605 -2.003 4.862 1.00 51.21 H new ATOM 0 HG LEU A 35 4.391 0.619 6.180 1.00 11.44 H new ATOM 0 HD11 LEU A 35 5.854 0.896 4.207 1.00 34.41 H new ATOM 0 HD12 LEU A 35 6.298 -0.539 5.162 1.00 34.41 H new ATOM 0 HD13 LEU A 35 5.390 -0.727 3.643 1.00 34.41 H new ATOM 0 HD21 LEU A 35 3.504 1.677 4.134 1.00 2.44 H new ATOM 0 HD22 LEU A 35 2.941 0.088 3.562 1.00 2.44 H new ATOM 0 HD23 LEU A 35 2.237 0.806 5.030 1.00 2.44 H new ATOM 588 N ARG A 36 2.447 -3.475 7.901 1.00 75.54 N ATOM 589 CA ARG A 36 2.106 -4.872 8.203 1.00 44.24 C ATOM 590 C ARG A 36 0.594 -5.028 8.437 1.00 31.53 C ATOM 591 O ARG A 36 -0.004 -6.030 8.050 1.00 4.25 O ATOM 592 CB ARG A 36 2.906 -5.369 9.420 1.00 55.32 C ATOM 593 CG ARG A 36 2.710 -6.854 9.734 1.00 71.52 C ATOM 594 CD ARG A 36 3.710 -7.349 10.781 1.00 52.33 C ATOM 595 NE ARG A 36 5.092 -7.339 10.282 1.00 40.23 N ATOM 596 CZ ARG A 36 6.063 -6.629 10.796 1.00 12.35 C ATOM 597 NH1 ARG A 36 5.854 -5.838 11.797 1.00 41.12 N ATOM 598 NH2 ARG A 36 7.251 -6.712 10.300 1.00 74.14 N ATOM 0 H ARG A 36 3.034 -3.023 8.603 1.00 75.54 H new ATOM 0 HA ARG A 36 2.376 -5.486 7.343 1.00 44.24 H new ATOM 0 HB2 ARG A 36 3.966 -5.183 9.245 1.00 55.32 H new ATOM 0 HB3 ARG A 36 2.619 -4.783 10.293 1.00 55.32 H new ATOM 0 HG2 ARG A 36 1.695 -7.019 10.095 1.00 71.52 H new ATOM 0 HG3 ARG A 36 2.822 -7.437 8.820 1.00 71.52 H new ATOM 0 HD2 ARG A 36 3.643 -6.721 11.670 1.00 52.33 H new ATOM 0 HD3 ARG A 36 3.443 -8.361 11.085 1.00 52.33 H new ATOM 0 HE ARG A 36 5.310 -7.927 9.478 1.00 40.23 H new ATOM 0 HH11 ARG A 36 4.920 -5.760 12.199 1.00 41.12 H new ATOM 0 HH12 ARG A 36 6.623 -5.292 12.185 1.00 41.12 H new ATOM 0 HH21 ARG A 36 7.431 -7.330 9.509 1.00 74.14 H new ATOM 0 HH22 ARG A 36 8.010 -6.159 10.699 1.00 74.14 H new ATOM 612 N LYS A 37 -0.014 -4.013 9.054 1.00 21.42 N ATOM 613 CA LYS A 37 -1.470 -3.970 9.251 1.00 11.42 C ATOM 614 C LYS A 37 -2.202 -3.984 7.900 1.00 35.23 C ATOM 615 O LYS A 37 -3.273 -4.574 7.763 1.00 23.05 O ATOM 616 CB LYS A 37 -1.837 -2.719 10.071 1.00 52.25 C ATOM 617 CG LYS A 37 -3.323 -2.561 10.395 1.00 52.31 C ATOM 618 CD LYS A 37 -4.041 -1.665 9.384 1.00 0.31 C ATOM 619 CE LYS A 37 -5.391 -1.202 9.916 1.00 42.14 C ATOM 620 NZ LYS A 37 -6.049 -0.213 9.018 1.00 20.42 N ATOM 0 H LYS A 37 0.480 -3.204 9.429 1.00 21.42 H new ATOM 0 HA LYS A 37 -1.786 -4.856 9.802 1.00 11.42 H new ATOM 0 HB2 LYS A 37 -1.279 -2.742 11.007 1.00 52.25 H new ATOM 0 HB3 LYS A 37 -1.506 -1.836 9.524 1.00 52.25 H new ATOM 0 HG2 LYS A 37 -3.797 -3.543 10.409 1.00 52.31 H new ATOM 0 HG3 LYS A 37 -3.433 -2.140 11.394 1.00 52.31 H new ATOM 0 HD2 LYS A 37 -3.420 -0.798 9.158 1.00 0.31 H new ATOM 0 HD3 LYS A 37 -4.183 -2.208 8.450 1.00 0.31 H new ATOM 0 HE2 LYS A 37 -6.044 -2.066 10.041 1.00 42.14 H new ATOM 0 HE3 LYS A 37 -5.256 -0.759 10.903 1.00 42.14 H new ATOM 0 HZ1 LYS A 37 -6.587 0.470 9.589 1.00 20.42 H new ATOM 0 HZ2 LYS A 37 -5.325 0.291 8.467 1.00 20.42 H new ATOM 0 HZ3 LYS A 37 -6.695 -0.708 8.371 1.00 20.42 H new ATOM 634 N ILE A 38 -1.606 -3.331 6.909 1.00 61.30 N ATOM 635 CA ILE A 38 -2.124 -3.359 5.539 1.00 41.21 C ATOM 636 C ILE A 38 -1.945 -4.753 4.920 1.00 65.04 C ATOM 637 O ILE A 38 -2.863 -5.294 4.306 1.00 10.23 O ATOM 638 CB ILE A 38 -1.410 -2.313 4.650 1.00 10.02 C ATOM 639 CG1 ILE A 38 -1.536 -0.911 5.270 1.00 4.34 C ATOM 640 CG2 ILE A 38 -1.964 -2.334 3.225 1.00 15.31 C ATOM 641 CD1 ILE A 38 -2.967 -0.462 5.496 1.00 51.44 C ATOM 0 H ILE A 38 -0.760 -2.773 7.026 1.00 61.30 H new ATOM 0 HA ILE A 38 -3.186 -3.117 5.587 1.00 41.21 H new ATOM 0 HB ILE A 38 -0.353 -2.572 4.597 1.00 10.02 H new ATOM 0 HG12 ILE A 38 -1.007 -0.898 6.223 1.00 4.34 H new ATOM 0 HG13 ILE A 38 -1.039 -0.191 4.620 1.00 4.34 H new ATOM 0 HG21 ILE A 38 -1.445 -1.589 2.622 1.00 15.31 H new ATOM 0 HG22 ILE A 38 -1.813 -3.322 2.791 1.00 15.31 H new ATOM 0 HG23 ILE A 38 -3.030 -2.105 3.245 1.00 15.31 H new ATOM 0 HD11 ILE A 38 -2.970 0.535 5.935 1.00 51.44 H new ATOM 0 HD12 ILE A 38 -3.496 -0.441 4.543 1.00 51.44 H new ATOM 0 HD13 ILE A 38 -3.464 -1.158 6.172 1.00 51.44 H new ATOM 653 N ALA A 39 -0.756 -5.329 5.098 1.00 2.10 N ATOM 654 CA ALA A 39 -0.463 -6.682 4.614 1.00 25.00 C ATOM 655 C ALA A 39 -1.467 -7.707 5.167 1.00 21.14 C ATOM 656 O ALA A 39 -1.892 -8.617 4.454 1.00 13.32 O ATOM 657 CB ALA A 39 0.961 -7.076 4.990 1.00 20.03 C ATOM 0 H ALA A 39 0.025 -4.879 5.576 1.00 2.10 H new ATOM 0 HA ALA A 39 -0.557 -6.679 3.528 1.00 25.00 H new ATOM 0 HB1 ALA A 39 1.168 -8.082 4.626 1.00 20.03 H new ATOM 0 HB2 ALA A 39 1.664 -6.375 4.539 1.00 20.03 H new ATOM 0 HB3 ALA A 39 1.071 -7.053 6.074 1.00 20.03 H new ATOM 663 N GLU A 40 -1.849 -7.544 6.435 1.00 33.22 N ATOM 664 CA GLU A 40 -2.842 -8.421 7.072 1.00 54.13 C ATOM 665 C GLU A 40 -4.194 -8.363 6.346 1.00 15.41 C ATOM 666 O GLU A 40 -4.956 -9.331 6.350 1.00 51.45 O ATOM 667 CB GLU A 40 -3.037 -8.038 8.545 1.00 12.32 C ATOM 668 CG GLU A 40 -1.792 -8.218 9.407 1.00 23.30 C ATOM 669 CD GLU A 40 -2.056 -7.931 10.876 1.00 5.05 C ATOM 670 OE1 GLU A 40 -1.952 -6.760 11.291 1.00 4.45 O ATOM 671 OE2 GLU A 40 -2.385 -8.879 11.622 1.00 34.52 O ATOM 0 H GLU A 40 -1.486 -6.812 7.045 1.00 33.22 H new ATOM 0 HA GLU A 40 -2.459 -9.440 7.010 1.00 54.13 H new ATOM 0 HB2 GLU A 40 -3.355 -6.997 8.599 1.00 12.32 H new ATOM 0 HB3 GLU A 40 -3.844 -8.640 8.962 1.00 12.32 H new ATOM 0 HG2 GLU A 40 -1.424 -9.238 9.300 1.00 23.30 H new ATOM 0 HG3 GLU A 40 -1.005 -7.556 9.046 1.00 23.30 H new ATOM 678 N LEU A 41 -4.484 -7.225 5.716 1.00 24.33 N ATOM 679 CA LEU A 41 -5.743 -7.039 4.979 1.00 40.23 C ATOM 680 C LEU A 41 -5.717 -7.757 3.619 1.00 32.31 C ATOM 681 O LEU A 41 -6.717 -7.776 2.898 1.00 1.10 O ATOM 682 CB LEU A 41 -6.022 -5.543 4.782 1.00 62.22 C ATOM 683 CG LEU A 41 -6.017 -4.701 6.071 1.00 24.30 C ATOM 684 CD1 LEU A 41 -6.329 -3.238 5.768 1.00 12.32 C ATOM 685 CD2 LEU A 41 -7.002 -5.266 7.094 1.00 52.24 C ATOM 0 H LEU A 41 -3.866 -6.414 5.699 1.00 24.33 H new ATOM 0 HA LEU A 41 -6.544 -7.481 5.572 1.00 40.23 H new ATOM 0 HB2 LEU A 41 -5.276 -5.137 4.099 1.00 62.22 H new ATOM 0 HB3 LEU A 41 -6.992 -5.431 4.297 1.00 62.22 H new ATOM 0 HG LEU A 41 -5.017 -4.750 6.501 1.00 24.30 H new ATOM 0 HD11 LEU A 41 -6.319 -2.664 6.695 1.00 12.32 H new ATOM 0 HD12 LEU A 41 -5.577 -2.839 5.087 1.00 12.32 H new ATOM 0 HD13 LEU A 41 -7.313 -3.164 5.306 1.00 12.32 H new ATOM 0 HD21 LEU A 41 -6.981 -4.654 7.996 1.00 52.24 H new ATOM 0 HD22 LEU A 41 -8.008 -5.258 6.674 1.00 52.24 H new ATOM 0 HD23 LEU A 41 -6.721 -6.289 7.343 1.00 52.24 H new ATOM 697 N MET A 42 -4.567 -8.341 3.282 1.00 61.23 N ATOM 698 CA MET A 42 -4.397 -9.112 2.041 1.00 25.11 C ATOM 699 C MET A 42 -4.415 -10.629 2.333 1.00 25.21 C ATOM 700 O MET A 42 -3.364 -11.240 2.548 1.00 74.20 O ATOM 701 CB MET A 42 -3.070 -8.721 1.370 1.00 60.31 C ATOM 702 CG MET A 42 -2.929 -7.225 1.118 1.00 51.52 C ATOM 703 SD MET A 42 -3.985 -6.641 -0.220 1.00 40.05 S ATOM 704 CE MET A 42 -3.220 -7.443 -1.625 1.00 21.11 C ATOM 0 H MET A 42 -3.726 -8.296 3.857 1.00 61.23 H new ATOM 0 HA MET A 42 -5.225 -8.883 1.370 1.00 25.11 H new ATOM 0 HB2 MET A 42 -2.244 -9.054 1.998 1.00 60.31 H new ATOM 0 HB3 MET A 42 -2.983 -9.250 0.421 1.00 60.31 H new ATOM 0 HG2 MET A 42 -3.174 -6.683 2.031 1.00 51.52 H new ATOM 0 HG3 MET A 42 -1.890 -6.997 0.881 1.00 51.52 H new ATOM 0 HE1 MET A 42 -3.376 -6.838 -2.518 1.00 21.11 H new ATOM 0 HE2 MET A 42 -2.151 -7.553 -1.443 1.00 21.11 H new ATOM 0 HE3 MET A 42 -3.667 -8.427 -1.770 1.00 21.11 H new ATOM 714 N PRO A 43 -5.612 -11.255 2.362 1.00 55.51 N ATOM 715 CA PRO A 43 -5.765 -12.673 2.748 1.00 25.31 C ATOM 716 C PRO A 43 -5.384 -13.679 1.641 1.00 30.31 C ATOM 717 O PRO A 43 -5.053 -14.830 1.932 1.00 33.11 O ATOM 718 CB PRO A 43 -7.258 -12.767 3.076 1.00 63.35 C ATOM 719 CG PRO A 43 -7.899 -11.769 2.171 1.00 63.21 C ATOM 720 CD PRO A 43 -6.915 -10.633 2.035 1.00 24.04 C ATOM 0 HA PRO A 43 -5.096 -12.937 3.567 1.00 25.31 H new ATOM 0 HB2 PRO A 43 -7.642 -13.771 2.896 1.00 63.35 H new ATOM 0 HB3 PRO A 43 -7.450 -12.535 4.124 1.00 63.35 H new ATOM 0 HG2 PRO A 43 -8.121 -12.210 1.199 1.00 63.21 H new ATOM 0 HG3 PRO A 43 -8.844 -11.418 2.585 1.00 63.21 H new ATOM 0 HD2 PRO A 43 -6.919 -10.219 1.027 1.00 24.04 H new ATOM 0 HD3 PRO A 43 -7.151 -9.816 2.717 1.00 24.04 H new ATOM 728 N GLY A 44 -5.434 -13.253 0.381 1.00 3.01 N ATOM 729 CA GLY A 44 -5.117 -14.158 -0.725 1.00 45.01 C ATOM 730 C GLY A 44 -4.738 -13.436 -2.015 1.00 33.42 C ATOM 731 O GLY A 44 -5.589 -13.190 -2.869 1.00 12.23 O ATOM 0 H GLY A 44 -5.686 -12.305 0.102 1.00 3.01 H new ATOM 0 HA2 GLY A 44 -4.294 -14.808 -0.427 1.00 45.01 H new ATOM 0 HA3 GLY A 44 -5.977 -14.800 -0.917 1.00 45.01 H new ATOM 735 N ALA A 45 -3.453 -13.123 -2.173 1.00 42.44 N ATOM 736 CA ALA A 45 -2.976 -12.379 -3.345 1.00 12.32 C ATOM 737 C ALA A 45 -1.480 -12.621 -3.609 1.00 50.12 C ATOM 738 O ALA A 45 -0.825 -13.395 -2.907 1.00 21.32 O ATOM 739 CB ALA A 45 -3.246 -10.887 -3.156 1.00 50.15 C ATOM 0 H ALA A 45 -2.722 -13.371 -1.507 1.00 42.44 H new ATOM 0 HA ALA A 45 -3.522 -12.741 -4.216 1.00 12.32 H new ATOM 0 HB1 ALA A 45 -2.890 -10.339 -4.029 1.00 50.15 H new ATOM 0 HB2 ALA A 45 -4.317 -10.723 -3.037 1.00 50.15 H new ATOM 0 HB3 ALA A 45 -2.724 -10.532 -2.267 1.00 50.15 H new ATOM 745 N SER A 46 -0.949 -11.953 -4.634 1.00 35.23 N ATOM 746 CA SER A 46 0.474 -12.060 -4.990 1.00 2.11 C ATOM 747 C SER A 46 1.080 -10.681 -5.300 1.00 72.13 C ATOM 748 O SER A 46 0.403 -9.653 -5.200 1.00 43.42 O ATOM 749 CB SER A 46 0.658 -12.983 -6.205 1.00 63.12 C ATOM 750 OG SER A 46 0.099 -12.408 -7.381 1.00 0.03 O ATOM 0 H SER A 46 -1.483 -11.328 -5.238 1.00 35.23 H new ATOM 0 HA SER A 46 0.994 -12.483 -4.130 1.00 2.11 H new ATOM 0 HB2 SER A 46 1.720 -13.175 -6.361 1.00 63.12 H new ATOM 0 HB3 SER A 46 0.185 -13.945 -6.008 1.00 63.12 H new ATOM 0 HG SER A 46 -0.808 -12.089 -7.190 1.00 0.03 H new ATOM 756 N GLY A 47 2.357 -10.672 -5.699 1.00 54.32 N ATOM 757 CA GLY A 47 3.069 -9.425 -5.981 1.00 4.33 C ATOM 758 C GLY A 47 2.332 -8.472 -6.928 1.00 23.12 C ATOM 759 O GLY A 47 2.390 -7.252 -6.752 1.00 23.33 O ATOM 0 H GLY A 47 2.916 -11.514 -5.833 1.00 54.32 H new ATOM 0 HA2 GLY A 47 3.257 -8.908 -5.040 1.00 4.33 H new ATOM 0 HA3 GLY A 47 4.041 -9.666 -6.412 1.00 4.33 H new ATOM 763 N ALA A 48 1.644 -9.017 -7.930 1.00 33.32 N ATOM 764 CA ALA A 48 0.911 -8.188 -8.900 1.00 3.43 C ATOM 765 C ALA A 48 -0.217 -7.382 -8.229 1.00 34.12 C ATOM 766 O ALA A 48 -0.357 -6.178 -8.460 1.00 43.42 O ATOM 767 CB ALA A 48 0.351 -9.060 -10.019 1.00 1.25 C ATOM 0 H ALA A 48 1.576 -10.021 -8.095 1.00 33.32 H new ATOM 0 HA ALA A 48 1.615 -7.472 -9.323 1.00 3.43 H new ATOM 0 HB1 ALA A 48 -0.189 -8.436 -10.731 1.00 1.25 H new ATOM 0 HB2 ALA A 48 1.170 -9.567 -10.529 1.00 1.25 H new ATOM 0 HB3 ALA A 48 -0.328 -9.801 -9.598 1.00 1.25 H new ATOM 773 N GLU A 49 -1.018 -8.048 -7.395 1.00 71.03 N ATOM 774 CA GLU A 49 -2.100 -7.377 -6.661 1.00 65.12 C ATOM 775 C GLU A 49 -1.540 -6.338 -5.682 1.00 71.45 C ATOM 776 O GLU A 49 -2.047 -5.219 -5.581 1.00 0.41 O ATOM 777 CB GLU A 49 -2.964 -8.395 -5.895 1.00 42.01 C ATOM 778 CG GLU A 49 -3.758 -9.357 -6.780 1.00 24.41 C ATOM 779 CD GLU A 49 -2.886 -10.378 -7.495 1.00 4.25 C ATOM 780 OE1 GLU A 49 -2.585 -11.433 -6.900 1.00 44.12 O ATOM 781 OE2 GLU A 49 -2.492 -10.130 -8.652 1.00 44.42 O ATOM 0 H GLU A 49 -0.941 -9.048 -7.209 1.00 71.03 H new ATOM 0 HA GLU A 49 -2.724 -6.868 -7.396 1.00 65.12 H new ATOM 0 HB2 GLU A 49 -2.318 -8.977 -5.238 1.00 42.01 H new ATOM 0 HB3 GLU A 49 -3.661 -7.852 -5.257 1.00 42.01 H new ATOM 0 HG2 GLU A 49 -4.491 -9.882 -6.167 1.00 24.41 H new ATOM 0 HG3 GLU A 49 -4.314 -8.783 -7.521 1.00 24.41 H new ATOM 788 N VAL A 50 -0.482 -6.718 -4.966 1.00 75.33 N ATOM 789 CA VAL A 50 0.184 -5.813 -4.023 1.00 3.22 C ATOM 790 C VAL A 50 0.723 -4.556 -4.737 1.00 15.25 C ATOM 791 O VAL A 50 0.660 -3.444 -4.200 1.00 45.13 O ATOM 792 CB VAL A 50 1.344 -6.527 -3.284 1.00 1.34 C ATOM 793 CG1 VAL A 50 2.033 -5.581 -2.301 1.00 3.41 C ATOM 794 CG2 VAL A 50 0.837 -7.780 -2.566 1.00 2.54 C ATOM 0 H VAL A 50 -0.065 -7.648 -5.020 1.00 75.33 H new ATOM 0 HA VAL A 50 -0.565 -5.507 -3.292 1.00 3.22 H new ATOM 0 HB VAL A 50 2.080 -6.832 -4.028 1.00 1.34 H new ATOM 0 HG11 VAL A 50 2.843 -6.108 -1.796 1.00 3.41 H new ATOM 0 HG12 VAL A 50 2.438 -4.726 -2.842 1.00 3.41 H new ATOM 0 HG13 VAL A 50 1.310 -5.234 -1.563 1.00 3.41 H new ATOM 0 HG21 VAL A 50 1.667 -8.267 -2.053 1.00 2.54 H new ATOM 0 HG22 VAL A 50 0.076 -7.499 -1.838 1.00 2.54 H new ATOM 0 HG23 VAL A 50 0.407 -8.468 -3.294 1.00 2.54 H new ATOM 804 N LYS A 51 1.245 -4.737 -5.952 1.00 44.41 N ATOM 805 CA LYS A 51 1.705 -3.611 -6.773 1.00 2.14 C ATOM 806 C LYS A 51 0.545 -2.654 -7.082 1.00 64.10 C ATOM 807 O LYS A 51 0.699 -1.428 -7.039 1.00 32.23 O ATOM 808 CB LYS A 51 2.324 -4.125 -8.080 1.00 13.51 C ATOM 809 CG LYS A 51 2.794 -3.014 -9.020 1.00 63.44 C ATOM 810 CD LYS A 51 3.437 -3.574 -10.285 1.00 62.24 C ATOM 811 CE LYS A 51 2.463 -4.427 -11.092 1.00 43.22 C ATOM 812 NZ LYS A 51 3.099 -5.000 -12.308 1.00 43.54 N ATOM 0 H LYS A 51 1.360 -5.651 -6.390 1.00 44.41 H new ATOM 0 HA LYS A 51 2.463 -3.066 -6.211 1.00 2.14 H new ATOM 0 HB2 LYS A 51 3.171 -4.769 -7.841 1.00 13.51 H new ATOM 0 HB3 LYS A 51 1.591 -4.742 -8.600 1.00 13.51 H new ATOM 0 HG2 LYS A 51 1.946 -2.385 -9.291 1.00 63.44 H new ATOM 0 HG3 LYS A 51 3.510 -2.377 -8.500 1.00 63.44 H new ATOM 0 HD2 LYS A 51 3.797 -2.752 -10.903 1.00 62.24 H new ATOM 0 HD3 LYS A 51 4.306 -4.174 -10.015 1.00 62.24 H new ATOM 0 HE2 LYS A 51 2.084 -5.235 -10.466 1.00 43.22 H new ATOM 0 HE3 LYS A 51 1.605 -3.821 -11.383 1.00 43.22 H new ATOM 0 HZ1 LYS A 51 2.403 -5.572 -12.827 1.00 43.54 H new ATOM 0 HZ2 LYS A 51 3.438 -4.229 -12.919 1.00 43.54 H new ATOM 0 HZ3 LYS A 51 3.902 -5.600 -12.030 1.00 43.54 H new ATOM 826 N GLY A 52 -0.618 -3.226 -7.392 1.00 15.33 N ATOM 827 CA GLY A 52 -1.816 -2.426 -7.620 1.00 41.43 C ATOM 828 C GLY A 52 -2.181 -1.574 -6.409 1.00 52.34 C ATOM 829 O GLY A 52 -2.388 -0.366 -6.530 1.00 71.12 O ATOM 0 H GLY A 52 -0.754 -4.232 -7.490 1.00 15.33 H new ATOM 0 HA2 GLY A 52 -1.659 -1.779 -8.483 1.00 41.43 H new ATOM 0 HA3 GLY A 52 -2.650 -3.085 -7.863 1.00 41.43 H new ATOM 833 N VAL A 53 -2.234 -2.210 -5.236 1.00 64.30 N ATOM 834 CA VAL A 53 -2.520 -1.510 -3.974 1.00 33.32 C ATOM 835 C VAL A 53 -1.565 -0.323 -3.759 1.00 52.23 C ATOM 836 O VAL A 53 -1.994 0.785 -3.425 1.00 55.02 O ATOM 837 CB VAL A 53 -2.412 -2.477 -2.764 1.00 55.21 C ATOM 838 CG1 VAL A 53 -2.608 -1.736 -1.441 1.00 71.13 C ATOM 839 CG2 VAL A 53 -3.416 -3.622 -2.895 1.00 21.32 C ATOM 0 H VAL A 53 -2.082 -3.213 -5.130 1.00 64.30 H new ATOM 0 HA VAL A 53 -3.540 -1.133 -4.045 1.00 33.32 H new ATOM 0 HB VAL A 53 -1.407 -2.898 -2.764 1.00 55.21 H new ATOM 0 HG11 VAL A 53 -2.527 -2.441 -0.614 1.00 71.13 H new ATOM 0 HG12 VAL A 53 -1.843 -0.966 -1.338 1.00 71.13 H new ATOM 0 HG13 VAL A 53 -3.594 -1.272 -1.427 1.00 71.13 H new ATOM 0 HG21 VAL A 53 -3.323 -4.287 -2.037 1.00 21.32 H new ATOM 0 HG22 VAL A 53 -4.427 -3.217 -2.932 1.00 21.32 H new ATOM 0 HG23 VAL A 53 -3.215 -4.180 -3.810 1.00 21.32 H new ATOM 849 N CYS A 54 -0.269 -0.566 -3.962 1.00 4.42 N ATOM 850 CA CYS A 54 0.751 0.483 -3.817 1.00 64.00 C ATOM 851 C CYS A 54 0.517 1.636 -4.804 1.00 22.11 C ATOM 852 O CYS A 54 0.708 2.806 -4.467 1.00 14.15 O ATOM 853 CB CYS A 54 2.153 -0.103 -4.026 1.00 13.43 C ATOM 854 SG CYS A 54 2.595 -1.406 -2.851 1.00 72.04 S ATOM 0 H CYS A 54 0.102 -1.478 -4.227 1.00 4.42 H new ATOM 0 HA CYS A 54 0.673 0.880 -2.805 1.00 64.00 H new ATOM 0 HB2 CYS A 54 2.220 -0.503 -5.038 1.00 13.43 H new ATOM 0 HB3 CYS A 54 2.885 0.701 -3.952 1.00 13.43 H new ATOM 0 HG CYS A 54 1.927 -2.486 -3.129 1.00 72.04 H new ATOM 860 N THR A 55 0.100 1.296 -6.024 1.00 54.10 N ATOM 861 CA THR A 55 -0.189 2.303 -7.055 1.00 33.22 C ATOM 862 C THR A 55 -1.409 3.152 -6.673 1.00 4.01 C ATOM 863 O THR A 55 -1.391 4.379 -6.802 1.00 72.41 O ATOM 864 CB THR A 55 -0.445 1.650 -8.437 1.00 21.23 C ATOM 865 OG1 THR A 55 0.693 0.871 -8.837 1.00 53.31 O ATOM 866 CG2 THR A 55 -0.737 2.705 -9.505 1.00 24.11 C ATOM 0 H THR A 55 -0.046 0.333 -6.326 1.00 54.10 H new ATOM 0 HA THR A 55 0.692 2.941 -7.123 1.00 33.22 H new ATOM 0 HB THR A 55 -1.317 1.003 -8.340 1.00 21.23 H new ATOM 0 HG1 THR A 55 0.760 0.075 -8.270 1.00 53.31 H new ATOM 0 HG21 THR A 55 -0.912 2.215 -10.463 1.00 24.11 H new ATOM 0 HG22 THR A 55 -1.622 3.274 -9.222 1.00 24.11 H new ATOM 0 HG23 THR A 55 0.115 3.379 -9.593 1.00 24.11 H new ATOM 874 N GLU A 56 -2.463 2.488 -6.197 1.00 41.21 N ATOM 875 CA GLU A 56 -3.685 3.172 -5.754 1.00 1.42 C ATOM 876 C GLU A 56 -3.363 4.238 -4.695 1.00 35.33 C ATOM 877 O GLU A 56 -3.762 5.397 -4.823 1.00 63.12 O ATOM 878 CB GLU A 56 -4.678 2.159 -5.160 1.00 3.54 C ATOM 879 CG GLU A 56 -5.109 1.046 -6.111 1.00 2.33 C ATOM 880 CD GLU A 56 -5.971 1.538 -7.263 1.00 33.54 C ATOM 881 OE1 GLU A 56 -7.141 1.898 -7.020 1.00 15.02 O ATOM 882 OE2 GLU A 56 -5.490 1.541 -8.415 1.00 10.23 O ATOM 0 H GLU A 56 -2.498 1.473 -6.107 1.00 41.21 H new ATOM 0 HA GLU A 56 -4.130 3.656 -6.623 1.00 1.42 H new ATOM 0 HB2 GLU A 56 -4.228 1.707 -4.276 1.00 3.54 H new ATOM 0 HB3 GLU A 56 -5.566 2.696 -4.827 1.00 3.54 H new ATOM 0 HG2 GLU A 56 -4.221 0.558 -6.513 1.00 2.33 H new ATOM 0 HG3 GLU A 56 -5.661 0.292 -5.550 1.00 2.33 H new ATOM 889 N ALA A 57 -2.624 3.830 -3.661 1.00 74.02 N ATOM 890 CA ALA A 57 -2.222 4.734 -2.576 1.00 34.54 C ATOM 891 C ALA A 57 -1.499 5.982 -3.110 1.00 5.32 C ATOM 892 O ALA A 57 -1.809 7.110 -2.714 1.00 31.43 O ATOM 893 CB ALA A 57 -1.333 3.992 -1.585 1.00 61.04 C ATOM 0 H ALA A 57 -2.289 2.873 -3.550 1.00 74.02 H new ATOM 0 HA ALA A 57 -3.127 5.072 -2.070 1.00 34.54 H new ATOM 0 HB1 ALA A 57 -1.039 4.669 -0.783 1.00 61.04 H new ATOM 0 HB2 ALA A 57 -1.881 3.148 -1.165 1.00 61.04 H new ATOM 0 HB3 ALA A 57 -0.443 3.627 -2.097 1.00 61.04 H new ATOM 899 N GLY A 58 -0.540 5.773 -4.015 1.00 45.22 N ATOM 900 CA GLY A 58 0.165 6.893 -4.636 1.00 55.30 C ATOM 901 C GLY A 58 -0.771 7.846 -5.376 1.00 0.32 C ATOM 902 O GLY A 58 -0.606 9.068 -5.317 1.00 42.15 O ATOM 0 H GLY A 58 -0.238 4.851 -4.330 1.00 45.22 H new ATOM 0 HA2 GLY A 58 0.706 7.446 -3.868 1.00 55.30 H new ATOM 0 HA3 GLY A 58 0.908 6.506 -5.334 1.00 55.30 H new ATOM 906 N MET A 59 -1.769 7.287 -6.061 1.00 10.51 N ATOM 907 CA MET A 59 -2.767 8.090 -6.780 1.00 11.34 C ATOM 908 C MET A 59 -3.581 8.973 -5.817 1.00 1.21 C ATOM 909 O MET A 59 -3.825 10.151 -6.091 1.00 32.13 O ATOM 910 CB MET A 59 -3.720 7.174 -7.567 1.00 11.32 C ATOM 911 CG MET A 59 -3.053 6.359 -8.676 1.00 61.21 C ATOM 912 SD MET A 59 -3.046 7.192 -10.285 1.00 52.33 S ATOM 913 CE MET A 59 -1.933 8.569 -10.002 1.00 0.40 C ATOM 0 H MET A 59 -1.911 6.280 -6.135 1.00 10.51 H new ATOM 0 HA MET A 59 -2.230 8.741 -7.471 1.00 11.34 H new ATOM 0 HB2 MET A 59 -4.201 6.488 -6.870 1.00 11.32 H new ATOM 0 HB3 MET A 59 -4.508 7.785 -8.008 1.00 11.32 H new ATOM 0 HG2 MET A 59 -2.026 6.139 -8.386 1.00 61.21 H new ATOM 0 HG3 MET A 59 -3.568 5.403 -8.773 1.00 61.21 H new ATOM 0 HE1 MET A 59 -1.468 8.861 -10.944 1.00 0.40 H new ATOM 0 HE2 MET A 59 -2.493 9.412 -9.597 1.00 0.40 H new ATOM 0 HE3 MET A 59 -1.160 8.272 -9.293 1.00 0.40 H new ATOM 923 N TYR A 60 -3.992 8.394 -4.688 1.00 34.31 N ATOM 924 CA TYR A 60 -4.829 9.103 -3.709 1.00 62.51 C ATOM 925 C TYR A 60 -4.065 10.255 -3.033 1.00 2.23 C ATOM 926 O TYR A 60 -4.642 11.299 -2.726 1.00 11.32 O ATOM 927 CB TYR A 60 -5.370 8.118 -2.661 1.00 25.35 C ATOM 928 CG TYR A 60 -6.085 6.923 -3.272 1.00 3.22 C ATOM 929 CD1 TYR A 60 -6.729 7.029 -4.502 1.00 22.32 C ATOM 930 CD2 TYR A 60 -6.089 5.683 -2.639 1.00 44.22 C ATOM 931 CE1 TYR A 60 -7.357 5.941 -5.076 1.00 31.20 C ATOM 932 CE2 TYR A 60 -6.710 4.591 -3.212 1.00 61.43 C ATOM 933 CZ TYR A 60 -7.342 4.726 -4.429 1.00 20.04 C ATOM 934 OH TYR A 60 -7.946 3.639 -5.011 1.00 42.03 O ATOM 0 H TYR A 60 -3.761 7.436 -4.425 1.00 34.31 H new ATOM 0 HA TYR A 60 -5.669 9.544 -4.245 1.00 62.51 H new ATOM 0 HB2 TYR A 60 -4.543 7.763 -2.046 1.00 25.35 H new ATOM 0 HB3 TYR A 60 -6.057 8.644 -1.998 1.00 25.35 H new ATOM 0 HD1 TYR A 60 -6.738 7.979 -5.016 1.00 22.32 H new ATOM 0 HD2 TYR A 60 -5.598 5.573 -1.683 1.00 44.22 H new ATOM 0 HE1 TYR A 60 -7.857 6.043 -6.028 1.00 31.20 H new ATOM 0 HE2 TYR A 60 -6.700 3.635 -2.709 1.00 61.43 H new ATOM 0 HH TYR A 60 -7.767 3.642 -5.975 1.00 42.03 H new ATOM 944 N ALA A 61 -2.765 10.066 -2.819 1.00 3.45 N ATOM 945 CA ALA A 61 -1.914 11.128 -2.269 1.00 1.13 C ATOM 946 C ALA A 61 -1.761 12.298 -3.258 1.00 74.22 C ATOM 947 O ALA A 61 -1.919 13.464 -2.889 1.00 13.24 O ATOM 948 CB ALA A 61 -0.547 10.566 -1.897 1.00 14.35 C ATOM 0 H ALA A 61 -2.276 9.193 -3.016 1.00 3.45 H new ATOM 0 HA ALA A 61 -2.398 11.514 -1.372 1.00 1.13 H new ATOM 0 HB1 ALA A 61 0.076 11.363 -1.490 1.00 14.35 H new ATOM 0 HB2 ALA A 61 -0.667 9.782 -1.149 1.00 14.35 H new ATOM 0 HB3 ALA A 61 -0.070 10.151 -2.785 1.00 14.35 H new ATOM 954 N LEU A 62 -1.473 11.976 -4.522 1.00 15.22 N ATOM 955 CA LEU A 62 -1.253 12.995 -5.563 1.00 21.40 C ATOM 956 C LEU A 62 -2.505 13.852 -5.827 1.00 70.44 C ATOM 957 O LEU A 62 -2.415 15.076 -5.938 1.00 52.22 O ATOM 958 CB LEU A 62 -0.794 12.329 -6.870 1.00 64.51 C ATOM 959 CG LEU A 62 0.570 11.621 -6.809 1.00 41.04 C ATOM 960 CD1 LEU A 62 0.905 10.972 -8.150 1.00 1.33 C ATOM 961 CD2 LEU A 62 1.668 12.598 -6.390 1.00 30.43 C ATOM 0 H LEU A 62 -1.386 11.016 -4.854 1.00 15.22 H new ATOM 0 HA LEU A 62 -0.474 13.662 -5.193 1.00 21.40 H new ATOM 0 HB2 LEU A 62 -1.548 11.602 -7.171 1.00 64.51 H new ATOM 0 HB3 LEU A 62 -0.755 13.089 -7.650 1.00 64.51 H new ATOM 0 HG LEU A 62 0.511 10.834 -6.058 1.00 41.04 H new ATOM 0 HD11 LEU A 62 1.874 10.477 -8.083 1.00 1.33 H new ATOM 0 HD12 LEU A 62 0.139 10.238 -8.400 1.00 1.33 H new ATOM 0 HD13 LEU A 62 0.941 11.737 -8.926 1.00 1.33 H new ATOM 0 HD21 LEU A 62 2.624 12.076 -6.353 1.00 30.43 H new ATOM 0 HD22 LEU A 62 1.726 13.412 -7.113 1.00 30.43 H new ATOM 0 HD23 LEU A 62 1.438 13.003 -5.405 1.00 30.43 H new ATOM 973 N ARG A 63 -3.671 13.215 -5.932 1.00 53.33 N ATOM 974 CA ARG A 63 -4.914 13.948 -6.226 1.00 73.44 C ATOM 975 C ARG A 63 -5.345 14.857 -5.063 1.00 3.02 C ATOM 976 O ARG A 63 -6.145 15.776 -5.242 1.00 34.45 O ATOM 977 CB ARG A 63 -6.039 12.973 -6.594 1.00 33.44 C ATOM 978 CG ARG A 63 -6.369 11.949 -5.513 1.00 54.55 C ATOM 979 CD ARG A 63 -7.240 10.824 -6.061 1.00 30.52 C ATOM 980 NE ARG A 63 -6.622 10.190 -7.224 1.00 42.53 N ATOM 981 CZ ARG A 63 -7.189 9.275 -7.959 1.00 14.34 C ATOM 982 NH1 ARG A 63 -8.359 8.816 -7.660 1.00 44.13 N ATOM 983 NH2 ARG A 63 -6.576 8.818 -8.999 1.00 33.12 N ATOM 0 H ARG A 63 -3.787 12.208 -5.821 1.00 53.33 H new ATOM 0 HA ARG A 63 -4.711 14.595 -7.080 1.00 73.44 H new ATOM 0 HB2 ARG A 63 -6.938 13.545 -6.821 1.00 33.44 H new ATOM 0 HB3 ARG A 63 -5.760 12.443 -7.505 1.00 33.44 H new ATOM 0 HG2 ARG A 63 -5.446 11.533 -5.110 1.00 54.55 H new ATOM 0 HG3 ARG A 63 -6.884 12.441 -4.688 1.00 54.55 H new ATOM 0 HD2 ARG A 63 -7.406 10.078 -5.283 1.00 30.52 H new ATOM 0 HD3 ARG A 63 -8.217 11.220 -6.337 1.00 30.52 H new ATOM 0 HE ARG A 63 -5.679 10.485 -7.479 1.00 42.53 H new ATOM 0 HH11 ARG A 63 -8.851 9.170 -6.840 1.00 44.13 H new ATOM 0 HH12 ARG A 63 -8.791 8.100 -8.244 1.00 44.13 H new ATOM 0 HH21 ARG A 63 -5.651 9.173 -9.243 1.00 33.12 H new ATOM 0 HH22 ARG A 63 -7.016 8.102 -9.577 1.00 33.12 H new ATOM 997 N GLU A 64 -4.817 14.594 -3.872 1.00 44.15 N ATOM 998 CA GLU A 64 -5.052 15.457 -2.708 1.00 44.24 C ATOM 999 C GLU A 64 -3.868 16.410 -2.473 1.00 33.43 C ATOM 1000 O GLU A 64 -3.842 17.160 -1.496 1.00 44.45 O ATOM 1001 CB GLU A 64 -5.292 14.600 -1.462 1.00 24.43 C ATOM 1002 CG GLU A 64 -6.588 13.799 -1.505 1.00 63.32 C ATOM 1003 CD GLU A 64 -6.773 12.940 -0.271 1.00 4.24 C ATOM 1004 OE1 GLU A 64 -6.792 13.499 0.847 1.00 71.00 O ATOM 1005 OE2 GLU A 64 -6.867 11.705 -0.406 1.00 21.31 O ATOM 0 H GLU A 64 -4.221 13.788 -3.682 1.00 44.15 H new ATOM 0 HA GLU A 64 -5.937 16.061 -2.907 1.00 44.24 H new ATOM 0 HB2 GLU A 64 -4.455 13.913 -1.339 1.00 24.43 H new ATOM 0 HB3 GLU A 64 -5.305 15.247 -0.585 1.00 24.43 H new ATOM 0 HG2 GLU A 64 -7.432 14.482 -1.599 1.00 63.32 H new ATOM 0 HG3 GLU A 64 -6.591 13.164 -2.391 1.00 63.32 H new ATOM 1012 N ARG A 65 -2.891 16.368 -3.384 1.00 33.34 N ATOM 1013 CA ARG A 65 -1.687 17.210 -3.302 1.00 4.22 C ATOM 1014 C ARG A 65 -0.903 16.969 -1.999 1.00 54.13 C ATOM 1015 O ARG A 65 -0.149 17.831 -1.546 1.00 51.44 O ATOM 1016 CB ARG A 65 -2.047 18.702 -3.451 1.00 52.24 C ATOM 1017 CG ARG A 65 -2.514 19.099 -4.857 1.00 51.41 C ATOM 1018 CD ARG A 65 -3.883 18.520 -5.209 1.00 51.02 C ATOM 1019 NE ARG A 65 -4.271 18.801 -6.590 1.00 33.13 N ATOM 1020 CZ ARG A 65 -5.489 18.685 -7.045 1.00 23.51 C ATOM 1021 NH1 ARG A 65 -6.458 18.336 -6.258 1.00 22.43 N ATOM 1022 NH2 ARG A 65 -5.739 18.921 -8.292 1.00 22.35 N ATOM 0 H ARG A 65 -2.909 15.753 -4.197 1.00 33.34 H new ATOM 0 HA ARG A 65 -1.039 16.925 -4.131 1.00 4.22 H new ATOM 0 HB2 ARG A 65 -2.833 18.948 -2.737 1.00 52.24 H new ATOM 0 HB3 ARG A 65 -1.177 19.302 -3.186 1.00 52.24 H new ATOM 0 HG2 ARG A 65 -2.555 20.186 -4.929 1.00 51.41 H new ATOM 0 HG3 ARG A 65 -1.781 18.759 -5.588 1.00 51.41 H new ATOM 0 HD2 ARG A 65 -3.869 17.442 -5.051 1.00 51.02 H new ATOM 0 HD3 ARG A 65 -4.633 18.932 -4.533 1.00 51.02 H new ATOM 0 HE ARG A 65 -3.545 19.107 -7.238 1.00 33.13 H new ATOM 0 HH11 ARG A 65 -6.273 18.149 -5.273 1.00 22.43 H new ATOM 0 HH12 ARG A 65 -7.406 18.248 -6.624 1.00 22.43 H new ATOM 0 HH21 ARG A 65 -4.984 19.198 -8.920 1.00 22.35 H new ATOM 0 HH22 ARG A 65 -6.691 18.830 -8.647 1.00 22.35 H new ATOM 1036 N ARG A 66 -1.069 15.781 -1.416 1.00 35.22 N ATOM 1037 CA ARG A 66 -0.347 15.407 -0.197 1.00 20.54 C ATOM 1038 C ARG A 66 1.094 14.977 -0.514 1.00 4.24 C ATOM 1039 O ARG A 66 1.353 14.322 -1.523 1.00 45.23 O ATOM 1040 CB ARG A 66 -1.091 14.285 0.548 1.00 62.03 C ATOM 1041 CG ARG A 66 -2.330 14.766 1.304 1.00 53.23 C ATOM 1042 CD ARG A 66 -3.002 13.642 2.091 1.00 24.30 C ATOM 1043 NE ARG A 66 -3.791 12.748 1.240 1.00 32.12 N ATOM 1044 CZ ARG A 66 -3.650 11.449 1.188 1.00 2.15 C ATOM 1045 NH1 ARG A 66 -2.706 10.854 1.845 1.00 44.40 N ATOM 1046 NH2 ARG A 66 -4.454 10.743 0.466 1.00 42.23 N ATOM 0 H ARG A 66 -1.698 15.059 -1.768 1.00 35.22 H new ATOM 0 HA ARG A 66 -0.302 16.285 0.448 1.00 20.54 H new ATOM 0 HB2 ARG A 66 -1.388 13.520 -0.169 1.00 62.03 H new ATOM 0 HB3 ARG A 66 -0.407 13.813 1.253 1.00 62.03 H new ATOM 0 HG2 ARG A 66 -2.048 15.567 1.988 1.00 53.23 H new ATOM 0 HG3 ARG A 66 -3.044 15.188 0.596 1.00 53.23 H new ATOM 0 HD2 ARG A 66 -2.239 13.062 2.611 1.00 24.30 H new ATOM 0 HD3 ARG A 66 -3.649 14.075 2.854 1.00 24.30 H new ATOM 0 HE ARG A 66 -4.503 13.170 0.644 1.00 32.12 H new ATOM 0 HH11 ARG A 66 -2.059 11.399 2.414 1.00 44.40 H new ATOM 0 HH12 ARG A 66 -2.610 9.840 1.794 1.00 44.40 H new ATOM 0 HH21 ARG A 66 -5.198 11.198 -0.063 1.00 42.23 H new ATOM 0 HH22 ARG A 66 -4.345 9.730 0.424 1.00 42.23 H new ATOM 1060 N VAL A 67 2.027 15.356 0.358 1.00 64.35 N ATOM 1061 CA VAL A 67 3.449 15.045 0.164 1.00 22.31 C ATOM 1062 C VAL A 67 3.797 13.631 0.668 1.00 24.12 C ATOM 1063 O VAL A 67 4.775 13.028 0.228 1.00 24.12 O ATOM 1064 CB VAL A 67 4.347 16.088 0.884 1.00 63.43 C ATOM 1065 CG1 VAL A 67 5.833 15.816 0.632 1.00 5.20 C ATOM 1066 CG2 VAL A 67 3.975 17.506 0.449 1.00 55.04 C ATOM 0 H VAL A 67 1.826 15.881 1.209 1.00 64.35 H new ATOM 0 HA VAL A 67 3.640 15.085 -0.908 1.00 22.31 H new ATOM 0 HB VAL A 67 4.172 15.996 1.956 1.00 63.43 H new ATOM 0 HG11 VAL A 67 6.433 16.564 1.150 1.00 5.20 H new ATOM 0 HG12 VAL A 67 6.090 14.824 1.004 1.00 5.20 H new ATOM 0 HG13 VAL A 67 6.036 15.866 -0.438 1.00 5.20 H new ATOM 0 HG21 VAL A 67 4.614 18.224 0.963 1.00 55.04 H new ATOM 0 HG22 VAL A 67 4.112 17.604 -0.628 1.00 55.04 H new ATOM 0 HG23 VAL A 67 2.933 17.702 0.701 1.00 55.04 H new ATOM 1076 N HIS A 68 2.992 13.104 1.593 1.00 10.40 N ATOM 1077 CA HIS A 68 3.224 11.758 2.138 1.00 65.11 C ATOM 1078 C HIS A 68 1.936 10.920 2.204 1.00 11.11 C ATOM 1079 O HIS A 68 0.870 11.417 2.577 1.00 30.15 O ATOM 1080 CB HIS A 68 3.885 11.841 3.525 1.00 71.34 C ATOM 1081 CG HIS A 68 3.205 12.768 4.488 1.00 24.12 C ATOM 1082 ND1 HIS A 68 3.739 13.984 4.857 1.00 71.35 N ATOM 1083 CD2 HIS A 68 2.044 12.650 5.180 1.00 74.43 C ATOM 1084 CE1 HIS A 68 2.945 14.569 5.728 1.00 11.32 C ATOM 1085 NE2 HIS A 68 1.912 13.783 5.941 1.00 13.14 N ATOM 0 H HIS A 68 2.178 13.582 1.980 1.00 10.40 H new ATOM 0 HA HIS A 68 3.901 11.250 1.451 1.00 65.11 H new ATOM 0 HB2 HIS A 68 3.911 10.842 3.960 1.00 71.34 H new ATOM 0 HB3 HIS A 68 4.919 12.162 3.401 1.00 71.34 H new ATOM 0 HD2 HIS A 68 1.354 11.820 5.139 1.00 74.43 H new ATOM 0 HE1 HIS A 68 3.113 15.531 6.190 1.00 11.32 H new ATOM 0 HE2 HIS A 68 1.136 13.984 6.572 1.00 13.14 H new ATOM 1094 N VAL A 69 2.056 9.642 1.841 1.00 62.24 N ATOM 1095 CA VAL A 69 0.934 8.698 1.863 1.00 21.13 C ATOM 1096 C VAL A 69 0.643 8.205 3.294 1.00 13.40 C ATOM 1097 O VAL A 69 1.554 8.067 4.115 1.00 55.12 O ATOM 1098 CB VAL A 69 1.223 7.474 0.951 1.00 11.21 C ATOM 1099 CG1 VAL A 69 -0.002 6.570 0.841 1.00 21.25 C ATOM 1100 CG2 VAL A 69 1.687 7.924 -0.436 1.00 4.44 C ATOM 0 H VAL A 69 2.934 9.231 1.523 1.00 62.24 H new ATOM 0 HA VAL A 69 0.060 9.230 1.489 1.00 21.13 H new ATOM 0 HB VAL A 69 2.027 6.899 1.410 1.00 11.21 H new ATOM 0 HG11 VAL A 69 0.229 5.721 0.197 1.00 21.25 H new ATOM 0 HG12 VAL A 69 -0.278 6.209 1.832 1.00 21.25 H new ATOM 0 HG13 VAL A 69 -0.833 7.133 0.416 1.00 21.25 H new ATOM 0 HG21 VAL A 69 1.883 7.049 -1.056 1.00 4.44 H new ATOM 0 HG22 VAL A 69 0.910 8.531 -0.900 1.00 4.44 H new ATOM 0 HG23 VAL A 69 2.599 8.513 -0.341 1.00 4.44 H new ATOM 1110 N THR A 70 -0.632 7.935 3.582 1.00 61.44 N ATOM 1111 CA THR A 70 -1.052 7.479 4.916 1.00 32.41 C ATOM 1112 C THR A 70 -1.483 6.006 4.893 1.00 43.53 C ATOM 1113 O THR A 70 -1.614 5.403 3.828 1.00 14.44 O ATOM 1114 CB THR A 70 -2.232 8.323 5.463 1.00 5.25 C ATOM 1115 OG1 THR A 70 -3.449 7.993 4.771 1.00 70.31 O ATOM 1116 CG2 THR A 70 -1.956 9.816 5.310 1.00 11.22 C ATOM 0 H THR A 70 -1.395 8.023 2.911 1.00 61.44 H new ATOM 0 HA THR A 70 -0.186 7.600 5.567 1.00 32.41 H new ATOM 0 HB THR A 70 -2.341 8.091 6.522 1.00 5.25 H new ATOM 0 HG1 THR A 70 -3.302 8.053 3.804 1.00 70.31 H new ATOM 0 HG21 THR A 70 -2.800 10.384 5.702 1.00 11.22 H new ATOM 0 HG22 THR A 70 -1.054 10.078 5.863 1.00 11.22 H new ATOM 0 HG23 THR A 70 -1.817 10.054 4.255 1.00 11.22 H new ATOM 1124 N GLN A 71 -1.704 5.426 6.074 1.00 5.33 N ATOM 1125 CA GLN A 71 -2.193 4.044 6.170 1.00 31.32 C ATOM 1126 C GLN A 71 -3.559 3.889 5.477 1.00 31.53 C ATOM 1127 O GLN A 71 -3.832 2.872 4.833 1.00 61.24 O ATOM 1128 CB GLN A 71 -2.299 3.614 7.642 1.00 44.34 C ATOM 1129 CG GLN A 71 -2.826 2.192 7.824 1.00 74.55 C ATOM 1130 CD GLN A 71 -2.990 1.789 9.281 1.00 24.42 C ATOM 1131 OE1 GLN A 71 -1.961 1.204 9.856 1.00 44.31 O flip ATOM 1132 NE2 GLN A 71 -4.043 1.983 9.881 1.00 71.51 N flip ATOM 0 H GLN A 71 -1.554 5.885 6.972 1.00 5.33 H new ATOM 0 HA GLN A 71 -1.476 3.400 5.661 1.00 31.32 H new ATOM 0 HB2 GLN A 71 -1.316 3.691 8.107 1.00 44.34 H new ATOM 0 HB3 GLN A 71 -2.956 4.307 8.168 1.00 44.34 H new ATOM 0 HG2 GLN A 71 -3.788 2.102 7.320 1.00 74.55 H new ATOM 0 HG3 GLN A 71 -2.144 1.495 7.337 1.00 74.55 H new ATOM 0 HE21 GLN A 71 -4.823 2.439 9.408 1.00 71.51 H new ATOM 0 HE22 GLN A 71 -4.138 1.688 10.853 1.00 71.51 H new ATOM 1141 N GLU A 72 -4.396 4.922 5.597 1.00 71.12 N ATOM 1142 CA GLU A 72 -5.739 4.923 5.004 1.00 64.23 C ATOM 1143 C GLU A 72 -5.693 4.628 3.497 1.00 1.44 C ATOM 1144 O GLU A 72 -6.447 3.799 2.995 1.00 21.43 O ATOM 1145 CB GLU A 72 -6.426 6.276 5.239 1.00 74.40 C ATOM 1146 CG GLU A 72 -7.810 6.378 4.601 1.00 53.13 C ATOM 1147 CD GLU A 72 -8.430 7.757 4.748 1.00 32.03 C ATOM 1148 OE1 GLU A 72 -8.218 8.608 3.859 1.00 45.12 O ATOM 1149 OE2 GLU A 72 -9.140 7.996 5.747 1.00 0.54 O ATOM 0 H GLU A 72 -4.166 5.777 6.104 1.00 71.12 H new ATOM 0 HA GLU A 72 -6.310 4.132 5.491 1.00 64.23 H new ATOM 0 HB2 GLU A 72 -6.516 6.447 6.312 1.00 74.40 H new ATOM 0 HB3 GLU A 72 -5.793 7.069 4.842 1.00 74.40 H new ATOM 0 HG2 GLU A 72 -7.735 6.130 3.542 1.00 53.13 H new ATOM 0 HG3 GLU A 72 -8.469 5.639 5.056 1.00 53.13 H new ATOM 1156 N ASP A 73 -4.800 5.310 2.785 1.00 45.22 N ATOM 1157 CA ASP A 73 -4.687 5.156 1.332 1.00 73.21 C ATOM 1158 C ASP A 73 -4.423 3.692 0.930 1.00 55.22 C ATOM 1159 O ASP A 73 -4.990 3.189 -0.045 1.00 21.22 O ATOM 1160 CB ASP A 73 -3.576 6.066 0.800 1.00 15.32 C ATOM 1161 CG ASP A 73 -3.823 7.525 1.146 1.00 32.22 C ATOM 1162 OD1 ASP A 73 -4.832 8.084 0.669 1.00 13.44 O ATOM 1163 OD2 ASP A 73 -3.020 8.116 1.905 1.00 4.11 O ATOM 0 H ASP A 73 -4.142 5.976 3.189 1.00 45.22 H new ATOM 0 HA ASP A 73 -5.639 5.447 0.887 1.00 73.21 H new ATOM 0 HB2 ASP A 73 -2.619 5.751 1.216 1.00 15.32 H new ATOM 0 HB3 ASP A 73 -3.504 5.957 -0.282 1.00 15.32 H new ATOM 1168 N PHE A 74 -3.574 3.012 1.697 1.00 25.54 N ATOM 1169 CA PHE A 74 -3.256 1.606 1.437 1.00 22.30 C ATOM 1170 C PHE A 74 -4.454 0.680 1.722 1.00 74.55 C ATOM 1171 O PHE A 74 -4.833 -0.127 0.875 1.00 24.20 O ATOM 1172 CB PHE A 74 -2.041 1.165 2.265 1.00 24.23 C ATOM 1173 CG PHE A 74 -0.729 1.730 1.779 1.00 14.23 C ATOM 1174 CD1 PHE A 74 -0.031 1.108 0.749 1.00 1.05 C ATOM 1175 CD2 PHE A 74 -0.192 2.877 2.348 1.00 15.12 C ATOM 1176 CE1 PHE A 74 1.172 1.619 0.300 1.00 31.12 C ATOM 1177 CE2 PHE A 74 1.012 3.389 1.901 1.00 15.11 C ATOM 1178 CZ PHE A 74 1.693 2.761 0.876 1.00 43.14 C ATOM 0 H PHE A 74 -3.093 3.410 2.504 1.00 25.54 H new ATOM 0 HA PHE A 74 -3.017 1.522 0.377 1.00 22.30 H new ATOM 0 HB2 PHE A 74 -2.192 1.466 3.302 1.00 24.23 H new ATOM 0 HB3 PHE A 74 -1.982 0.077 2.254 1.00 24.23 H new ATOM 0 HD1 PHE A 74 -0.434 0.215 0.295 1.00 1.05 H new ATOM 0 HD2 PHE A 74 -0.720 3.374 3.148 1.00 15.12 H new ATOM 0 HE1 PHE A 74 1.704 1.126 -0.500 1.00 31.12 H new ATOM 0 HE2 PHE A 74 1.420 4.281 2.353 1.00 15.11 H new ATOM 0 HZ PHE A 74 2.632 3.163 0.525 1.00 43.14 H new ATOM 1188 N GLU A 75 -5.051 0.797 2.912 1.00 61.35 N ATOM 1189 CA GLU A 75 -6.180 -0.069 3.296 1.00 0.22 C ATOM 1190 C GLU A 75 -7.402 0.153 2.388 1.00 54.00 C ATOM 1191 O GLU A 75 -8.098 -0.800 2.023 1.00 31.41 O ATOM 1192 CB GLU A 75 -6.551 0.148 4.774 1.00 12.22 C ATOM 1193 CG GLU A 75 -6.969 1.573 5.117 1.00 3.33 C ATOM 1194 CD GLU A 75 -7.236 1.763 6.601 1.00 33.32 C ATOM 1195 OE1 GLU A 75 -6.266 1.752 7.387 1.00 73.44 O ATOM 1196 OE2 GLU A 75 -8.416 1.900 6.989 1.00 22.03 O ATOM 0 H GLU A 75 -4.778 1.475 3.623 1.00 61.35 H new ATOM 0 HA GLU A 75 -5.861 -1.103 3.166 1.00 0.22 H new ATOM 0 HB2 GLU A 75 -7.365 -0.529 5.035 1.00 12.22 H new ATOM 0 HB3 GLU A 75 -5.697 -0.126 5.394 1.00 12.22 H new ATOM 0 HG2 GLU A 75 -6.187 2.263 4.801 1.00 3.33 H new ATOM 0 HG3 GLU A 75 -7.867 1.830 4.554 1.00 3.33 H new ATOM 1203 N MET A 76 -7.653 1.411 2.022 1.00 11.11 N ATOM 1204 CA MET A 76 -8.708 1.742 1.056 1.00 60.44 C ATOM 1205 C MET A 76 -8.446 1.040 -0.283 1.00 51.01 C ATOM 1206 O MET A 76 -9.354 0.473 -0.897 1.00 41.11 O ATOM 1207 CB MET A 76 -8.785 3.262 0.845 1.00 60.20 C ATOM 1208 CG MET A 76 -9.349 4.022 2.041 1.00 60.44 C ATOM 1209 SD MET A 76 -11.094 3.663 2.326 1.00 71.01 S ATOM 1210 CE MET A 76 -11.808 4.265 0.793 1.00 14.54 C ATOM 0 H MET A 76 -7.142 2.219 2.378 1.00 11.11 H new ATOM 0 HA MET A 76 -9.661 1.394 1.456 1.00 60.44 H new ATOM 0 HB2 MET A 76 -7.787 3.640 0.624 1.00 60.20 H new ATOM 0 HB3 MET A 76 -9.404 3.467 -0.029 1.00 60.20 H new ATOM 0 HG2 MET A 76 -8.778 3.765 2.933 1.00 60.44 H new ATOM 0 HG3 MET A 76 -9.223 5.093 1.880 1.00 60.44 H new ATOM 0 HE1 MET A 76 -12.869 4.466 0.940 1.00 14.54 H new ATOM 0 HE2 MET A 76 -11.303 5.183 0.492 1.00 14.54 H new ATOM 0 HE3 MET A 76 -11.686 3.512 0.014 1.00 14.54 H new ATOM 1220 N ALA A 77 -7.190 1.074 -0.719 1.00 70.20 N ATOM 1221 CA ALA A 77 -6.774 0.378 -1.934 1.00 50.43 C ATOM 1222 C ALA A 77 -7.023 -1.132 -1.825 1.00 3.42 C ATOM 1223 O ALA A 77 -7.646 -1.729 -2.703 1.00 32.01 O ATOM 1224 CB ALA A 77 -5.305 0.652 -2.213 1.00 34.12 C ATOM 0 H ALA A 77 -6.439 1.578 -0.247 1.00 70.20 H new ATOM 0 HA ALA A 77 -7.373 0.755 -2.763 1.00 50.43 H new ATOM 0 HB1 ALA A 77 -5.003 0.129 -3.121 1.00 34.12 H new ATOM 0 HB2 ALA A 77 -5.153 1.723 -2.344 1.00 34.12 H new ATOM 0 HB3 ALA A 77 -4.704 0.300 -1.375 1.00 34.12 H new ATOM 1230 N VAL A 78 -6.551 -1.736 -0.734 1.00 1.51 N ATOM 1231 CA VAL A 78 -6.708 -3.179 -0.500 1.00 11.44 C ATOM 1232 C VAL A 78 -8.177 -3.618 -0.593 1.00 64.32 C ATOM 1233 O VAL A 78 -8.508 -4.575 -1.298 1.00 14.14 O ATOM 1234 CB VAL A 78 -6.152 -3.589 0.890 1.00 30.52 C ATOM 1235 CG1 VAL A 78 -6.446 -5.061 1.179 1.00 21.01 C ATOM 1236 CG2 VAL A 78 -4.654 -3.309 0.981 1.00 63.42 C ATOM 0 H VAL A 78 -6.052 -1.247 0.009 1.00 1.51 H new ATOM 0 HA VAL A 78 -6.138 -3.679 -1.283 1.00 11.44 H new ATOM 0 HB VAL A 78 -6.655 -2.987 1.646 1.00 30.52 H new ATOM 0 HG11 VAL A 78 -6.047 -5.326 2.158 1.00 21.01 H new ATOM 0 HG12 VAL A 78 -7.523 -5.226 1.169 1.00 21.01 H new ATOM 0 HG13 VAL A 78 -5.977 -5.682 0.416 1.00 21.01 H new ATOM 0 HG21 VAL A 78 -4.288 -3.605 1.964 1.00 63.42 H new ATOM 0 HG22 VAL A 78 -4.130 -3.878 0.213 1.00 63.42 H new ATOM 0 HG23 VAL A 78 -4.473 -2.245 0.831 1.00 63.42 H new ATOM 1246 N ALA A 79 -9.055 -2.910 0.113 1.00 1.34 N ATOM 1247 CA ALA A 79 -10.485 -3.227 0.115 1.00 11.33 C ATOM 1248 C ALA A 79 -11.079 -3.210 -1.304 1.00 14.22 C ATOM 1249 O ALA A 79 -11.835 -4.106 -1.684 1.00 34.10 O ATOM 1250 CB ALA A 79 -11.233 -2.253 1.016 1.00 71.53 C ATOM 0 H ALA A 79 -8.803 -2.110 0.693 1.00 1.34 H new ATOM 0 HA ALA A 79 -10.601 -4.239 0.503 1.00 11.33 H new ATOM 0 HB1 ALA A 79 -12.296 -2.496 1.012 1.00 71.53 H new ATOM 0 HB2 ALA A 79 -10.848 -2.329 2.033 1.00 71.53 H new ATOM 0 HB3 ALA A 79 -11.092 -1.236 0.649 1.00 71.53 H new ATOM 1256 N LYS A 80 -10.714 -2.197 -2.090 1.00 14.33 N ATOM 1257 CA LYS A 80 -11.241 -2.048 -3.453 1.00 62.34 C ATOM 1258 C LYS A 80 -10.598 -3.044 -4.440 1.00 45.30 C ATOM 1259 O LYS A 80 -11.273 -3.563 -5.331 1.00 72.53 O ATOM 1260 CB LYS A 80 -11.038 -0.606 -3.948 1.00 64.40 C ATOM 1261 CG LYS A 80 -11.656 -0.340 -5.320 1.00 63.51 C ATOM 1262 CD LYS A 80 -11.607 1.137 -5.721 1.00 52.14 C ATOM 1263 CE LYS A 80 -10.227 1.567 -6.217 1.00 53.12 C ATOM 1264 NZ LYS A 80 -9.189 1.507 -5.154 1.00 41.00 N ATOM 0 H LYS A 80 -10.058 -1.468 -1.810 1.00 14.33 H new ATOM 0 HA LYS A 80 -12.307 -2.272 -3.413 1.00 62.34 H new ATOM 0 HB2 LYS A 80 -11.472 0.083 -3.223 1.00 64.40 H new ATOM 0 HB3 LYS A 80 -9.970 -0.392 -3.992 1.00 64.40 H new ATOM 0 HG2 LYS A 80 -11.131 -0.932 -6.070 1.00 63.51 H new ATOM 0 HG3 LYS A 80 -12.693 -0.676 -5.317 1.00 63.51 H new ATOM 0 HD2 LYS A 80 -12.344 1.322 -6.503 1.00 52.14 H new ATOM 0 HD3 LYS A 80 -11.889 1.751 -4.866 1.00 52.14 H new ATOM 0 HE2 LYS A 80 -9.928 0.927 -7.047 1.00 53.12 H new ATOM 0 HE3 LYS A 80 -10.286 2.584 -6.604 1.00 53.12 H new ATOM 0 HZ1 LYS A 80 -8.591 2.356 -5.204 1.00 41.00 H new ATOM 0 HZ2 LYS A 80 -9.649 1.462 -4.222 1.00 41.00 H new ATOM 0 HZ3 LYS A 80 -8.600 0.661 -5.291 1.00 41.00 H new ATOM 1278 N VAL A 81 -9.299 -3.307 -4.278 1.00 15.21 N ATOM 1279 CA VAL A 81 -8.571 -4.225 -5.172 1.00 63.44 C ATOM 1280 C VAL A 81 -8.944 -5.696 -4.908 1.00 62.52 C ATOM 1281 O VAL A 81 -9.300 -6.430 -5.832 1.00 45.35 O ATOM 1282 CB VAL A 81 -7.030 -4.044 -5.038 1.00 13.44 C ATOM 1283 CG1 VAL A 81 -6.275 -5.069 -5.887 1.00 14.51 C ATOM 1284 CG2 VAL A 81 -6.621 -2.620 -5.426 1.00 62.13 C ATOM 0 H VAL A 81 -8.726 -2.900 -3.539 1.00 15.21 H new ATOM 0 HA VAL A 81 -8.869 -3.971 -6.189 1.00 63.44 H new ATOM 0 HB VAL A 81 -6.763 -4.212 -3.995 1.00 13.44 H new ATOM 0 HG11 VAL A 81 -5.202 -4.917 -5.772 1.00 14.51 H new ATOM 0 HG12 VAL A 81 -6.536 -6.075 -5.560 1.00 14.51 H new ATOM 0 HG13 VAL A 81 -6.549 -4.946 -6.935 1.00 14.51 H new ATOM 0 HG21 VAL A 81 -5.541 -2.512 -5.326 1.00 62.13 H new ATOM 0 HG22 VAL A 81 -6.911 -2.427 -6.459 1.00 62.13 H new ATOM 0 HG23 VAL A 81 -7.119 -1.907 -4.769 1.00 62.13 H new ATOM 1294 N MET A 82 -8.857 -6.123 -3.646 1.00 12.32 N ATOM 1295 CA MET A 82 -9.265 -7.480 -3.259 1.00 63.11 C ATOM 1296 C MET A 82 -10.777 -7.671 -3.455 1.00 11.40 C ATOM 1297 O MET A 82 -11.240 -8.774 -3.753 1.00 72.43 O ATOM 1298 CB MET A 82 -8.884 -7.761 -1.799 1.00 50.24 C ATOM 1299 CG MET A 82 -7.384 -7.719 -1.530 1.00 13.31 C ATOM 1300 SD MET A 82 -6.464 -8.920 -2.514 1.00 51.12 S ATOM 1301 CE MET A 82 -7.200 -10.465 -1.970 1.00 5.01 C ATOM 0 H MET A 82 -8.509 -5.553 -2.875 1.00 12.32 H new ATOM 0 HA MET A 82 -8.740 -8.187 -3.901 1.00 63.11 H new ATOM 0 HB2 MET A 82 -9.378 -7.031 -1.158 1.00 50.24 H new ATOM 0 HB3 MET A 82 -9.266 -8.742 -1.517 1.00 50.24 H new ATOM 0 HG2 MET A 82 -7.009 -6.718 -1.743 1.00 13.31 H new ATOM 0 HG3 MET A 82 -7.204 -7.908 -0.472 1.00 13.31 H new ATOM 0 HE1 MET A 82 -6.413 -11.161 -1.680 1.00 5.01 H new ATOM 0 HE2 MET A 82 -7.851 -10.277 -1.116 1.00 5.01 H new ATOM 0 HE3 MET A 82 -7.783 -10.896 -2.783 1.00 5.01 H new ATOM 1311 N GLN A 83 -11.529 -6.576 -3.285 1.00 22.00 N ATOM 1312 CA GLN A 83 -12.981 -6.535 -3.536 1.00 51.14 C ATOM 1313 C GLN A 83 -13.799 -7.209 -2.417 1.00 62.14 C ATOM 1314 O GLN A 83 -14.949 -7.607 -2.630 1.00 73.35 O ATOM 1315 CB GLN A 83 -13.320 -7.144 -4.909 1.00 71.23 C ATOM 1316 CG GLN A 83 -12.636 -6.437 -6.078 1.00 62.23 C ATOM 1317 CD GLN A 83 -13.024 -7.005 -7.432 1.00 1.41 C ATOM 1318 OE1 GLN A 83 -14.137 -7.489 -7.624 1.00 75.35 O ATOM 1319 NE2 GLN A 83 -12.111 -6.949 -8.381 1.00 32.34 N ATOM 0 H GLN A 83 -11.147 -5.685 -2.967 1.00 22.00 H new ATOM 0 HA GLN A 83 -13.267 -5.483 -3.542 1.00 51.14 H new ATOM 0 HB2 GLN A 83 -13.031 -8.195 -4.912 1.00 71.23 H new ATOM 0 HB3 GLN A 83 -14.400 -7.109 -5.056 1.00 71.23 H new ATOM 0 HG2 GLN A 83 -12.888 -5.377 -6.050 1.00 62.23 H new ATOM 0 HG3 GLN A 83 -11.555 -6.511 -5.957 1.00 62.23 H new ATOM 0 HE21 GLN A 83 -11.197 -6.540 -8.186 1.00 32.34 H new ATOM 0 HE22 GLN A 83 -12.318 -7.315 -9.310 1.00 32.34 H new ATOM 1328 N LYS A 84 -13.216 -7.320 -1.222 1.00 24.02 N ATOM 1329 CA LYS A 84 -13.961 -7.774 -0.038 1.00 51.23 C ATOM 1330 C LYS A 84 -14.125 -6.621 0.966 1.00 5.15 C ATOM 1331 O LYS A 84 -13.330 -6.469 1.900 1.00 51.12 O ATOM 1332 CB LYS A 84 -13.283 -8.981 0.645 1.00 50.55 C ATOM 1333 CG LYS A 84 -13.324 -10.276 -0.170 1.00 60.42 C ATOM 1334 CD LYS A 84 -12.346 -10.253 -1.339 1.00 43.54 C ATOM 1335 CE LYS A 84 -12.520 -11.455 -2.259 1.00 61.44 C ATOM 1336 NZ LYS A 84 -12.351 -12.746 -1.540 1.00 4.52 N ATOM 0 H LYS A 84 -12.235 -7.104 -1.045 1.00 24.02 H new ATOM 0 HA LYS A 84 -14.944 -8.098 -0.378 1.00 51.23 H new ATOM 0 HB2 LYS A 84 -12.243 -8.729 0.851 1.00 50.55 H new ATOM 0 HB3 LYS A 84 -13.765 -9.156 1.607 1.00 50.55 H new ATOM 0 HG2 LYS A 84 -13.091 -11.120 0.480 1.00 60.42 H new ATOM 0 HG3 LYS A 84 -14.334 -10.434 -0.547 1.00 60.42 H new ATOM 0 HD2 LYS A 84 -12.488 -9.336 -1.911 1.00 43.54 H new ATOM 0 HD3 LYS A 84 -11.326 -10.235 -0.956 1.00 43.54 H new ATOM 0 HE2 LYS A 84 -13.510 -11.422 -2.713 1.00 61.44 H new ATOM 0 HE3 LYS A 84 -11.795 -11.396 -3.071 1.00 61.44 H new ATOM 0 HZ1 LYS A 84 -12.377 -13.530 -2.223 1.00 4.52 H new ATOM 0 HZ2 LYS A 84 -11.437 -12.750 -1.043 1.00 4.52 H new ATOM 0 HZ3 LYS A 84 -13.120 -12.862 -0.850 1.00 4.52 H new ATOM 1350 N ASP A 85 -15.143 -5.795 0.743 1.00 12.34 N ATOM 1351 CA ASP A 85 -15.434 -4.651 1.612 1.00 63.13 C ATOM 1352 C ASP A 85 -16.869 -4.732 2.160 1.00 54.14 C ATOM 1353 O ASP A 85 -17.084 -4.697 3.375 1.00 2.34 O ATOM 1354 CB ASP A 85 -15.230 -3.344 0.836 1.00 21.25 C ATOM 1355 CG ASP A 85 -15.458 -2.111 1.695 1.00 42.22 C ATOM 1356 OD1 ASP A 85 -14.526 -1.699 2.417 1.00 50.33 O ATOM 1357 OD2 ASP A 85 -16.572 -1.543 1.649 1.00 2.43 O ATOM 0 H ASP A 85 -15.789 -5.896 -0.040 1.00 12.34 H new ATOM 0 HA ASP A 85 -14.748 -4.673 2.459 1.00 63.13 H new ATOM 0 HB2 ASP A 85 -14.217 -3.319 0.434 1.00 21.25 H new ATOM 0 HB3 ASP A 85 -15.912 -3.321 -0.014 1.00 21.25 H new ATOM 1362 N SER A 86 -17.842 -4.849 1.255 1.00 53.20 N ATOM 1363 CA SER A 86 -19.263 -4.981 1.634 1.00 23.40 C ATOM 1364 C SER A 86 -20.092 -5.577 0.481 1.00 73.31 C ATOM 1365 O SER A 86 -20.478 -4.819 -0.440 1.00 35.64 O ATOM 1366 CB SER A 86 -19.847 -3.621 2.042 1.00 51.14 C ATOM 1367 OG SER A 86 -21.206 -3.744 2.443 1.00 31.23 O ATOM 1368 OXT SER A 86 -20.347 -6.802 0.493 1.00 35.64 O ATOM 0 H SER A 86 -17.678 -4.856 0.248 1.00 53.20 H new ATOM 0 HA SER A 86 -19.313 -5.659 2.486 1.00 23.40 H new ATOM 0 HB2 SER A 86 -19.261 -3.201 2.859 1.00 51.14 H new ATOM 0 HB3 SER A 86 -19.773 -2.925 1.206 1.00 51.14 H new ATOM 0 HG SER A 86 -21.552 -2.864 2.699 1.00 31.23 H new TER 1374 SER A 86