USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 629 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 40 TYR OH : rot -30:sc= 0.026 USER MOD Set 1.2: A 77 CYS SG : rot 180:sc= 0.0266 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.074) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 ASN : amide:sc= -0.134 K(o=-0.13,f=-3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.126) USER MOD Single : A 68 CYS SG : rot -42:sc= -0.028 USER MOD Single : A 72 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.904 -28.730 -2.073 1.00 0.00 N ATOM 2 CA MET A 1 22.696 -29.170 -1.315 1.00 0.00 C ATOM 3 C MET A 1 22.549 -28.369 -0.008 1.00 0.00 C ATOM 4 O MET A 1 23.056 -28.767 1.042 1.00 0.00 O ATOM 5 CB MET A 1 22.715 -30.702 -1.077 1.00 0.00 C ATOM 6 CG MET A 1 21.468 -31.247 -0.356 1.00 0.00 C ATOM 7 SD MET A 1 21.510 -33.031 0.005 1.00 0.00 S ATOM 8 CE MET A 1 21.064 -33.717 -1.616 1.00 0.00 C ATOM 0 H1 MET A 1 23.984 -29.283 -2.950 1.00 0.00 H new ATOM 0 H2 MET A 1 23.818 -27.720 -2.307 1.00 0.00 H new ATOM 0 H3 MET A 1 24.753 -28.880 -1.491 1.00 0.00 H new ATOM 0 HA MET A 1 21.812 -28.959 -1.917 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.814 -31.206 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.599 -30.956 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.342 -30.704 0.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.591 -31.035 -0.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.047 -34.805 -1.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.078 -33.353 -1.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.799 -33.405 -2.358 1.00 0.00 H new ATOM 20 N HIS A 2 21.861 -27.222 -0.078 1.00 0.00 N ATOM 21 CA HIS A 2 21.506 -26.342 1.053 1.00 0.00 C ATOM 22 C HIS A 2 20.133 -25.669 0.828 1.00 0.00 C ATOM 23 O HIS A 2 19.657 -25.579 -0.308 1.00 0.00 O ATOM 24 CB HIS A 2 22.590 -25.260 1.237 1.00 0.00 C ATOM 25 CG HIS A 2 23.923 -25.779 1.720 1.00 0.00 C ATOM 26 ND1 HIS A 2 24.184 -26.304 2.968 1.00 0.00 N ATOM 27 CD2 HIS A 2 25.094 -25.796 1.010 1.00 0.00 C ATOM 28 CE1 HIS A 2 25.484 -26.646 3.008 1.00 0.00 C ATOM 29 NE2 HIS A 2 26.080 -26.351 1.835 1.00 0.00 N ATOM 0 H HIS A 2 21.518 -26.861 -0.968 1.00 0.00 H new ATOM 0 HA HIS A 2 21.444 -26.955 1.952 1.00 0.00 H new ATOM 0 HB2 HIS A 2 22.738 -24.747 0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 2 22.226 -24.517 1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 2 25.232 -25.445 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 2 25.979 -27.093 3.857 1.00 0.00 H new ATOM 0 HE2 HIS A 2 27.060 -26.503 1.595 1.00 0.00 H new ATOM 37 N HIS A 3 19.526 -25.151 1.901 1.00 0.00 N ATOM 38 CA HIS A 3 18.285 -24.361 1.899 1.00 0.00 C ATOM 39 C HIS A 3 18.359 -23.190 2.900 1.00 0.00 C ATOM 40 O HIS A 3 19.098 -23.254 3.889 1.00 0.00 O ATOM 41 CB HIS A 3 17.091 -25.273 2.241 1.00 0.00 C ATOM 42 CG HIS A 3 16.735 -26.259 1.156 1.00 0.00 C ATOM 43 ND1 HIS A 3 17.097 -27.589 1.108 1.00 0.00 N ATOM 44 CD2 HIS A 3 15.968 -25.996 0.051 1.00 0.00 C ATOM 45 CE1 HIS A 3 16.565 -28.119 -0.008 1.00 0.00 C ATOM 46 NE2 HIS A 3 15.867 -27.186 -0.683 1.00 0.00 N ATOM 0 H HIS A 3 19.903 -25.276 2.841 1.00 0.00 H new ATOM 0 HA HIS A 3 18.152 -23.939 0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.318 -25.822 3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.221 -24.651 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.523 -25.046 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.681 -29.147 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.362 -27.319 -1.559 1.00 0.00 H new ATOM 54 N HIS A 4 17.562 -22.141 2.669 1.00 0.00 N ATOM 55 CA HIS A 4 17.488 -20.925 3.494 1.00 0.00 C ATOM 56 C HIS A 4 16.041 -20.402 3.589 1.00 0.00 C ATOM 57 O HIS A 4 15.291 -20.471 2.610 1.00 0.00 O ATOM 58 CB HIS A 4 18.393 -19.834 2.885 1.00 0.00 C ATOM 59 CG HIS A 4 19.810 -20.268 2.585 1.00 0.00 C ATOM 60 ND1 HIS A 4 20.318 -20.558 1.336 1.00 0.00 N ATOM 61 CD2 HIS A 4 20.816 -20.453 3.496 1.00 0.00 C ATOM 62 CE1 HIS A 4 21.607 -20.913 1.487 1.00 0.00 C ATOM 63 NE2 HIS A 4 21.954 -20.860 2.786 1.00 0.00 N ATOM 0 H HIS A 4 16.926 -22.112 1.872 1.00 0.00 H new ATOM 0 HA HIS A 4 17.828 -21.172 4.500 1.00 0.00 H new ATOM 0 HB2 HIS A 4 17.936 -19.478 1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 4 18.427 -18.987 3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 4 20.745 -20.311 4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 4 22.268 -21.199 0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 4 22.870 -21.075 3.179 1.00 0.00 H new ATOM 71 N HIS A 5 15.660 -19.839 4.741 1.00 0.00 N ATOM 72 CA HIS A 5 14.355 -19.201 4.989 1.00 0.00 C ATOM 73 C HIS A 5 14.480 -17.978 5.921 1.00 0.00 C ATOM 74 O HIS A 5 15.336 -17.948 6.810 1.00 0.00 O ATOM 75 CB HIS A 5 13.384 -20.226 5.606 1.00 0.00 C ATOM 76 CG HIS A 5 12.898 -21.281 4.642 1.00 0.00 C ATOM 77 ND1 HIS A 5 11.864 -21.137 3.741 1.00 0.00 N ATOM 78 CD2 HIS A 5 13.381 -22.557 4.518 1.00 0.00 C ATOM 79 CE1 HIS A 5 11.728 -22.299 3.077 1.00 0.00 C ATOM 80 NE2 HIS A 5 12.631 -23.196 3.520 1.00 0.00 N ATOM 0 H HIS A 5 16.271 -19.812 5.557 1.00 0.00 H new ATOM 0 HA HIS A 5 13.970 -18.851 4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 5 13.877 -20.717 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 5 12.522 -19.695 6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.191 -22.991 5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.000 -22.486 2.301 1.00 0.00 H new ATOM 0 HE2 HIS A 5 12.747 -24.155 3.192 1.00 0.00 H new ATOM 88 N HIS A 6 13.586 -16.998 5.748 1.00 0.00 N ATOM 89 CA HIS A 6 13.444 -15.785 6.571 1.00 0.00 C ATOM 90 C HIS A 6 11.967 -15.362 6.708 1.00 0.00 C ATOM 91 O HIS A 6 11.115 -15.765 5.907 1.00 0.00 O ATOM 92 CB HIS A 6 14.266 -14.642 5.944 1.00 0.00 C ATOM 93 CG HIS A 6 15.762 -14.828 6.034 1.00 0.00 C ATOM 94 ND1 HIS A 6 16.611 -15.136 4.993 1.00 0.00 N ATOM 95 CD2 HIS A 6 16.522 -14.694 7.166 1.00 0.00 C ATOM 96 CE1 HIS A 6 17.861 -15.193 5.486 1.00 0.00 C ATOM 97 NE2 HIS A 6 17.856 -14.928 6.805 1.00 0.00 N ATOM 0 H HIS A 6 12.904 -17.029 4.990 1.00 0.00 H new ATOM 0 HA HIS A 6 13.818 -16.004 7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 6 13.987 -14.543 4.895 1.00 0.00 H new ATOM 0 HB3 HIS A 6 13.998 -13.706 6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 6 16.160 -14.453 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 6 18.743 -15.419 4.906 1.00 0.00 H new ATOM 0 HE2 HIS A 6 18.667 -14.902 7.423 1.00 0.00 H new ATOM 105 N HIS A 7 11.662 -14.519 7.701 1.00 0.00 N ATOM 106 CA HIS A 7 10.347 -13.904 7.939 1.00 0.00 C ATOM 107 C HIS A 7 10.470 -12.545 8.666 1.00 0.00 C ATOM 108 O HIS A 7 11.496 -12.257 9.288 1.00 0.00 O ATOM 109 CB HIS A 7 9.467 -14.877 8.746 1.00 0.00 C ATOM 110 CG HIS A 7 9.996 -15.190 10.127 1.00 0.00 C ATOM 111 ND1 HIS A 7 9.659 -14.536 11.293 1.00 0.00 N ATOM 112 CD2 HIS A 7 10.906 -16.164 10.446 1.00 0.00 C ATOM 113 CE1 HIS A 7 10.361 -15.093 12.296 1.00 0.00 C ATOM 114 NE2 HIS A 7 11.132 -16.090 11.826 1.00 0.00 N ATOM 0 H HIS A 7 12.355 -14.233 8.393 1.00 0.00 H new ATOM 0 HA HIS A 7 9.881 -13.706 6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.467 -14.453 8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.367 -15.808 8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 7 11.364 -16.860 9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.313 -14.784 13.330 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.761 -16.680 12.371 1.00 0.00 H new ATOM 122 N SER A 8 9.401 -11.735 8.628 1.00 0.00 N ATOM 123 CA SER A 8 9.305 -10.404 9.259 1.00 0.00 C ATOM 124 C SER A 8 7.885 -10.135 9.785 1.00 0.00 C ATOM 125 O SER A 8 6.999 -9.745 9.021 1.00 0.00 O ATOM 126 CB SER A 8 9.705 -9.294 8.271 1.00 0.00 C ATOM 127 OG SER A 8 11.075 -9.385 7.910 1.00 0.00 O ATOM 0 H SER A 8 8.545 -11.997 8.139 1.00 0.00 H new ATOM 0 HA SER A 8 9.997 -10.398 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.087 -9.363 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.510 -8.320 8.719 1.00 0.00 H new ATOM 0 HG SER A 8 11.296 -8.667 7.281 1.00 0.00 H new ATOM 133 N SER A 9 7.655 -10.365 11.083 1.00 0.00 N ATOM 134 CA SER A 9 6.369 -10.114 11.763 1.00 0.00 C ATOM 135 C SER A 9 6.078 -8.610 11.922 1.00 0.00 C ATOM 136 O SER A 9 5.104 -8.096 11.365 1.00 0.00 O ATOM 137 CB SER A 9 6.355 -10.828 13.124 1.00 0.00 C ATOM 138 OG SER A 9 5.101 -10.681 13.773 1.00 0.00 O ATOM 0 H SER A 9 8.370 -10.739 11.707 1.00 0.00 H new ATOM 0 HA SER A 9 5.573 -10.519 11.138 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.572 -11.887 12.983 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.144 -10.423 13.757 1.00 0.00 H new ATOM 0 HG SER A 9 5.122 -11.147 14.635 1.00 0.00 H new ATOM 144 N GLY A 10 6.937 -7.893 12.659 1.00 0.00 N ATOM 145 CA GLY A 10 6.839 -6.458 12.968 1.00 0.00 C ATOM 146 C GLY A 10 7.022 -6.140 14.462 1.00 0.00 C ATOM 147 O GLY A 10 7.046 -7.041 15.306 1.00 0.00 O ATOM 0 H GLY A 10 7.763 -8.320 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.593 -5.918 12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.866 -6.090 12.642 1.00 0.00 H new ATOM 151 N LEU A 11 7.160 -4.850 14.790 1.00 0.00 N ATOM 152 CA LEU A 11 7.363 -4.337 16.155 1.00 0.00 C ATOM 153 C LEU A 11 6.807 -2.899 16.271 1.00 0.00 C ATOM 154 O LEU A 11 7.407 -1.964 15.739 1.00 0.00 O ATOM 155 CB LEU A 11 8.875 -4.424 16.500 1.00 0.00 C ATOM 156 CG LEU A 11 9.244 -4.577 17.990 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.569 -3.554 18.901 1.00 0.00 C ATOM 158 CD2 LEU A 11 8.904 -5.973 18.517 1.00 0.00 C ATOM 0 H LEU A 11 7.133 -4.108 14.091 1.00 0.00 H new ATOM 0 HA LEU A 11 6.816 -4.941 16.879 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.299 -5.269 15.957 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.362 -3.525 16.121 1.00 0.00 H new ATOM 0 HG LEU A 11 10.320 -4.407 18.020 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.877 -3.726 19.932 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.860 -2.548 18.598 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.487 -3.657 18.824 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.179 -6.041 19.570 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.834 -6.152 18.409 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.457 -6.721 17.949 1.00 0.00 H new ATOM 170 N VAL A 12 5.654 -2.728 16.937 1.00 0.00 N ATOM 171 CA VAL A 12 4.903 -1.459 17.117 1.00 0.00 C ATOM 172 C VAL A 12 4.721 -0.686 15.783 1.00 0.00 C ATOM 173 O VAL A 12 5.457 0.265 15.504 1.00 0.00 O ATOM 174 CB VAL A 12 5.507 -0.595 18.259 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.712 0.701 18.514 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.505 -1.344 19.609 1.00 0.00 C ATOM 0 H VAL A 12 5.188 -3.512 17.393 1.00 0.00 H new ATOM 0 HA VAL A 12 3.894 -1.718 17.436 1.00 0.00 H new ATOM 0 HB VAL A 12 6.518 -0.371 17.918 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.181 1.263 19.322 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.704 1.307 17.608 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.688 0.451 18.793 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.935 -0.705 20.380 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.481 -1.602 19.881 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.097 -2.255 19.521 1.00 0.00 H new ATOM 186 N PRO A 13 3.745 -1.077 14.932 1.00 0.00 N ATOM 187 CA PRO A 13 3.509 -0.435 13.634 1.00 0.00 C ATOM 188 C PRO A 13 2.811 0.936 13.721 1.00 0.00 C ATOM 189 O PRO A 13 2.762 1.661 12.726 1.00 0.00 O ATOM 190 CB PRO A 13 2.666 -1.445 12.847 1.00 0.00 C ATOM 191 CG PRO A 13 1.872 -2.166 13.933 1.00 0.00 C ATOM 192 CD PRO A 13 2.858 -2.224 15.099 1.00 0.00 C ATOM 0 HA PRO A 13 4.458 -0.202 13.152 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.010 -0.950 12.132 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.291 -2.136 12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.965 -1.622 14.198 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.565 -3.162 13.614 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.336 -2.178 16.055 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.421 -3.157 15.088 1.00 0.00 H new ATOM 200 N ARG A 14 2.255 1.315 14.883 1.00 0.00 N ATOM 201 CA ARG A 14 1.615 2.624 15.126 1.00 0.00 C ATOM 202 C ARG A 14 2.649 3.716 15.474 1.00 0.00 C ATOM 203 O ARG A 14 3.795 3.418 15.813 1.00 0.00 O ATOM 204 CB ARG A 14 0.556 2.449 16.242 1.00 0.00 C ATOM 205 CG ARG A 14 -0.639 3.420 16.169 1.00 0.00 C ATOM 206 CD ARG A 14 -1.574 3.181 14.969 1.00 0.00 C ATOM 207 NE ARG A 14 -2.281 1.885 15.060 1.00 0.00 N ATOM 208 CZ ARG A 14 -3.398 1.618 15.716 1.00 0.00 C ATOM 209 NH1 ARG A 14 -4.043 2.527 16.392 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.896 0.414 15.711 1.00 0.00 N ATOM 0 H ARG A 14 2.236 0.707 15.702 1.00 0.00 H new ATOM 0 HA ARG A 14 1.126 2.965 14.213 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.177 1.428 16.204 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.045 2.572 17.208 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.218 3.336 17.089 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.261 4.441 16.123 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.304 3.988 14.914 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.994 3.212 14.047 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.857 1.105 14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.689 3.483 16.428 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.902 2.282 16.885 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.424 -0.331 15.199 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.758 0.216 16.220 1.00 0.00 H new ATOM 224 N GLY A 15 2.237 4.985 15.437 1.00 0.00 N ATOM 225 CA GLY A 15 3.019 6.147 15.882 1.00 0.00 C ATOM 226 C GLY A 15 3.763 6.851 14.744 1.00 0.00 C ATOM 227 O GLY A 15 3.307 7.880 14.242 1.00 0.00 O ATOM 0 H GLY A 15 1.316 5.244 15.084 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.352 6.860 16.366 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.740 5.824 16.633 1.00 0.00 H new ATOM 231 N SER A 16 4.905 6.302 14.325 1.00 0.00 N ATOM 232 CA SER A 16 5.829 6.838 13.305 1.00 0.00 C ATOM 233 C SER A 16 5.327 6.677 11.854 1.00 0.00 C ATOM 234 O SER A 16 6.044 6.202 10.970 1.00 0.00 O ATOM 235 CB SER A 16 7.218 6.211 13.519 1.00 0.00 C ATOM 236 OG SER A 16 7.147 4.795 13.626 1.00 0.00 O ATOM 0 H SER A 16 5.236 5.417 14.708 1.00 0.00 H new ATOM 0 HA SER A 16 5.888 7.918 13.441 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.870 6.481 12.688 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.667 6.622 14.423 1.00 0.00 H new ATOM 0 HG SER A 16 8.047 4.431 13.759 1.00 0.00 H new ATOM 242 N GLN A 17 4.086 7.094 11.584 1.00 0.00 N ATOM 243 CA GLN A 17 3.350 6.869 10.328 1.00 0.00 C ATOM 244 C GLN A 17 4.057 7.358 9.044 1.00 0.00 C ATOM 245 O GLN A 17 3.855 6.785 7.973 1.00 0.00 O ATOM 246 CB GLN A 17 1.928 7.448 10.456 1.00 0.00 C ATOM 247 CG GLN A 17 1.867 8.982 10.574 1.00 0.00 C ATOM 248 CD GLN A 17 0.440 9.475 10.812 1.00 0.00 C ATOM 249 OE1 GLN A 17 0.028 9.767 11.928 1.00 0.00 O ATOM 250 NE2 GLN A 17 -0.378 9.582 9.784 1.00 0.00 N ATOM 0 H GLN A 17 3.539 7.622 12.264 1.00 0.00 H new ATOM 0 HA GLN A 17 3.306 5.788 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.345 7.140 9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.449 7.010 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.506 9.310 11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.260 9.433 9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.053 9.344 8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.336 9.903 9.926 1.00 0.00 H new ATOM 259 N GLU A 18 4.911 8.385 9.127 1.00 0.00 N ATOM 260 CA GLU A 18 5.711 8.876 7.991 1.00 0.00 C ATOM 261 C GLU A 18 6.915 7.971 7.665 1.00 0.00 C ATOM 262 O GLU A 18 7.262 7.795 6.495 1.00 0.00 O ATOM 263 CB GLU A 18 6.209 10.305 8.272 1.00 0.00 C ATOM 264 CG GLU A 18 5.061 11.319 8.379 1.00 0.00 C ATOM 265 CD GLU A 18 5.607 12.754 8.510 1.00 0.00 C ATOM 266 OE1 GLU A 18 5.963 13.174 9.640 1.00 0.00 O ATOM 267 OE2 GLU A 18 5.682 13.478 7.487 1.00 0.00 O ATOM 0 H GLU A 18 5.070 8.905 9.990 1.00 0.00 H new ATOM 0 HA GLU A 18 5.053 8.867 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.782 10.311 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.888 10.612 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.423 11.247 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.440 11.082 9.243 1.00 0.00 H new ATOM 274 N ILE A 19 7.549 7.374 8.682 1.00 0.00 N ATOM 275 CA ILE A 19 8.679 6.440 8.533 1.00 0.00 C ATOM 276 C ILE A 19 8.168 5.035 8.172 1.00 0.00 C ATOM 277 O ILE A 19 8.774 4.343 7.353 1.00 0.00 O ATOM 278 CB ILE A 19 9.575 6.438 9.799 1.00 0.00 C ATOM 279 CG1 ILE A 19 10.162 7.842 10.107 1.00 0.00 C ATOM 280 CG2 ILE A 19 10.757 5.470 9.611 1.00 0.00 C ATOM 281 CD1 ILE A 19 9.295 8.731 11.009 1.00 0.00 C ATOM 0 H ILE A 19 7.287 7.529 9.655 1.00 0.00 H new ATOM 0 HA ILE A 19 9.308 6.779 7.710 1.00 0.00 H new ATOM 0 HB ILE A 19 8.939 6.128 10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.137 7.715 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.329 8.363 9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.379 5.477 10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.378 4.462 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.352 5.784 8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.793 9.688 11.163 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.328 8.897 10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.148 8.240 11.971 1.00 0.00 H new ATOM 293 N GLU A 20 6.996 4.646 8.685 1.00 0.00 N ATOM 294 CA GLU A 20 6.258 3.450 8.256 1.00 0.00 C ATOM 295 C GLU A 20 6.032 3.394 6.742 1.00 0.00 C ATOM 296 O GLU A 20 5.995 2.299 6.186 1.00 0.00 O ATOM 297 CB GLU A 20 4.891 3.383 8.957 1.00 0.00 C ATOM 298 CG GLU A 20 4.935 2.723 10.337 1.00 0.00 C ATOM 299 CD GLU A 20 5.158 1.199 10.231 1.00 0.00 C ATOM 300 OE1 GLU A 20 4.248 0.471 9.763 1.00 0.00 O ATOM 301 OE2 GLU A 20 6.258 0.720 10.599 1.00 0.00 O ATOM 0 H GLU A 20 6.523 5.164 9.426 1.00 0.00 H new ATOM 0 HA GLU A 20 6.878 2.598 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.497 4.394 9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.195 2.833 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.735 3.168 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.002 2.919 10.865 1.00 0.00 H new ATOM 308 N ALA A 21 5.916 4.533 6.051 1.00 0.00 N ATOM 309 CA ALA A 21 5.730 4.552 4.601 1.00 0.00 C ATOM 310 C ALA A 21 6.936 3.985 3.821 1.00 0.00 C ATOM 311 O ALA A 21 6.754 3.284 2.819 1.00 0.00 O ATOM 312 CB ALA A 21 5.381 5.977 4.156 1.00 0.00 C ATOM 0 H ALA A 21 5.948 5.458 6.479 1.00 0.00 H new ATOM 0 HA ALA A 21 4.902 3.884 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.241 5.997 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.462 6.297 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.192 6.652 4.429 1.00 0.00 H new ATOM 318 N LYS A 22 8.167 4.241 4.291 1.00 0.00 N ATOM 319 CA LYS A 22 9.405 3.676 3.721 1.00 0.00 C ATOM 320 C LYS A 22 9.455 2.164 3.937 1.00 0.00 C ATOM 321 O LYS A 22 9.644 1.405 2.986 1.00 0.00 O ATOM 322 CB LYS A 22 10.660 4.348 4.319 1.00 0.00 C ATOM 323 CG LYS A 22 10.974 5.745 3.756 1.00 0.00 C ATOM 324 CD LYS A 22 10.043 6.863 4.253 1.00 0.00 C ATOM 325 CE LYS A 22 10.510 8.247 3.780 1.00 0.00 C ATOM 326 NZ LYS A 22 10.323 8.440 2.316 1.00 0.00 N ATOM 0 H LYS A 22 8.335 4.854 5.088 1.00 0.00 H new ATOM 0 HA LYS A 22 9.398 3.877 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.533 4.427 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.519 3.700 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.001 6.004 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.921 5.704 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.030 6.679 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.003 6.845 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.958 9.017 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.563 8.377 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.653 9.389 2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.870 7.723 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.315 8.344 2.079 1.00 0.00 H new ATOM 340 N GLU A 23 9.237 1.726 5.179 1.00 0.00 N ATOM 341 CA GLU A 23 9.150 0.306 5.545 1.00 0.00 C ATOM 342 C GLU A 23 8.036 -0.431 4.785 1.00 0.00 C ATOM 343 O GLU A 23 8.261 -1.543 4.323 1.00 0.00 O ATOM 344 CB GLU A 23 8.957 0.157 7.063 1.00 0.00 C ATOM 345 CG GLU A 23 10.253 0.382 7.862 1.00 0.00 C ATOM 346 CD GLU A 23 11.338 -0.696 7.624 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.007 -1.863 7.295 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.543 -0.382 7.793 1.00 0.00 O ATOM 0 H GLU A 23 9.114 2.355 5.972 1.00 0.00 H new ATOM 0 HA GLU A 23 10.092 -0.159 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.202 0.868 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.573 -0.840 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.663 1.358 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.012 0.411 8.925 1.00 0.00 H new ATOM 355 N ALA A 24 6.861 0.174 4.591 1.00 0.00 N ATOM 356 CA ALA A 24 5.764 -0.380 3.799 1.00 0.00 C ATOM 357 C ALA A 24 6.170 -0.654 2.345 1.00 0.00 C ATOM 358 O ALA A 24 6.039 -1.783 1.868 1.00 0.00 O ATOM 359 CB ALA A 24 4.561 0.564 3.884 1.00 0.00 C ATOM 0 H ALA A 24 6.643 1.086 4.992 1.00 0.00 H new ATOM 0 HA ALA A 24 5.492 -1.350 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.738 0.158 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.249 0.664 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.838 1.543 3.493 1.00 0.00 H new ATOM 365 N CYS A 25 6.695 0.364 1.658 1.00 0.00 N ATOM 366 CA CYS A 25 7.202 0.255 0.291 1.00 0.00 C ATOM 367 C CYS A 25 8.260 -0.859 0.163 1.00 0.00 C ATOM 368 O CYS A 25 8.148 -1.722 -0.708 1.00 0.00 O ATOM 369 CB CYS A 25 7.737 1.635 -0.120 1.00 0.00 C ATOM 370 SG CYS A 25 8.210 1.644 -1.874 1.00 0.00 S ATOM 0 H CYS A 25 6.780 1.304 2.045 1.00 0.00 H new ATOM 0 HA CYS A 25 6.402 -0.036 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.976 2.394 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.598 1.895 0.495 1.00 0.00 H new ATOM 0 HG CYS A 25 8.657 2.821 -2.197 1.00 0.00 H new ATOM 376 N ASP A 26 9.271 -0.866 1.039 1.00 0.00 N ATOM 377 CA ASP A 26 10.359 -1.852 1.026 1.00 0.00 C ATOM 378 C ASP A 26 9.926 -3.276 1.441 1.00 0.00 C ATOM 379 O ASP A 26 10.430 -4.261 0.899 1.00 0.00 O ATOM 380 CB ASP A 26 11.504 -1.345 1.912 1.00 0.00 C ATOM 381 CG ASP A 26 12.789 -2.163 1.698 1.00 0.00 C ATOM 382 OD1 ASP A 26 13.339 -2.137 0.570 1.00 0.00 O ATOM 383 OD2 ASP A 26 13.267 -2.810 2.661 1.00 0.00 O ATOM 0 H ASP A 26 9.358 -0.178 1.787 1.00 0.00 H new ATOM 0 HA ASP A 26 10.691 -1.949 -0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.699 -0.296 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.207 -1.400 2.959 1.00 0.00 H new ATOM 388 N TRP A 27 8.969 -3.412 2.365 1.00 0.00 N ATOM 389 CA TRP A 27 8.433 -4.705 2.803 1.00 0.00 C ATOM 390 C TRP A 27 7.579 -5.379 1.724 1.00 0.00 C ATOM 391 O TRP A 27 7.744 -6.573 1.490 1.00 0.00 O ATOM 392 CB TRP A 27 7.630 -4.554 4.103 1.00 0.00 C ATOM 393 CG TRP A 27 7.114 -5.848 4.659 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.766 -6.617 5.566 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.901 -6.582 4.309 1.00 0.00 C ATOM 396 NE1 TRP A 27 7.046 -7.775 5.789 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.913 -7.829 5.002 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.801 -6.345 3.449 1.00 0.00 C ATOM 399 CZ2 TRP A 27 4.924 -8.801 4.825 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.788 -7.306 3.280 1.00 0.00 C ATOM 401 CH2 TRP A 27 3.850 -8.537 3.957 1.00 0.00 C ATOM 0 H TRP A 27 8.539 -2.616 2.836 1.00 0.00 H new ATOM 0 HA TRP A 27 9.290 -5.352 2.990 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.260 -4.074 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.787 -3.887 3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.703 -6.364 6.040 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.318 -8.500 6.453 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.739 -5.409 2.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.984 -9.744 5.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.955 -7.097 2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.076 -9.276 3.811 1.00 0.00 H new ATOM 412 N LEU A 28 6.689 -4.646 1.043 1.00 0.00 N ATOM 413 CA LEU A 28 5.790 -5.201 0.016 1.00 0.00 C ATOM 414 C LEU A 28 6.563 -5.913 -1.111 1.00 0.00 C ATOM 415 O LEU A 28 6.240 -7.049 -1.470 1.00 0.00 O ATOM 416 CB LEU A 28 4.891 -4.075 -0.529 1.00 0.00 C ATOM 417 CG LEU A 28 3.743 -3.672 0.418 1.00 0.00 C ATOM 418 CD1 LEU A 28 3.158 -2.322 -0.002 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.603 -4.694 0.410 1.00 0.00 C ATOM 0 H LEU A 28 6.570 -3.643 1.188 1.00 0.00 H new ATOM 0 HA LEU A 28 5.164 -5.966 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.507 -3.198 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.467 -4.392 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 28 4.171 -3.620 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.348 -2.050 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.936 -1.560 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.772 -2.393 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.817 -4.368 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.197 -4.778 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.982 -5.664 0.731 1.00 0.00 H new ATOM 431 N ARG A 29 7.627 -5.280 -1.626 1.00 0.00 N ATOM 432 CA ARG A 29 8.571 -5.891 -2.582 1.00 0.00 C ATOM 433 C ARG A 29 9.335 -7.088 -1.999 1.00 0.00 C ATOM 434 O ARG A 29 9.401 -8.127 -2.655 1.00 0.00 O ATOM 435 CB ARG A 29 9.485 -4.820 -3.216 1.00 0.00 C ATOM 436 CG ARG A 29 10.312 -3.990 -2.223 1.00 0.00 C ATOM 437 CD ARG A 29 10.994 -2.779 -2.879 1.00 0.00 C ATOM 438 NE ARG A 29 12.456 -2.953 -2.984 1.00 0.00 N ATOM 439 CZ ARG A 29 13.154 -3.424 -4.002 1.00 0.00 C ATOM 440 NH1 ARG A 29 12.591 -3.841 -5.102 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.452 -3.487 -3.931 1.00 0.00 N ATOM 0 H ARG A 29 7.862 -4.316 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 29 7.981 -6.321 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.167 -5.313 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.868 -4.142 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.664 -3.644 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.071 -4.627 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.576 -2.623 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.777 -1.883 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 29 12.997 -2.674 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.576 -3.810 -5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.166 -4.198 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.933 -3.172 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.989 -3.851 -4.718 1.00 0.00 H new ATOM 455 N ALA A 30 9.848 -6.994 -0.768 1.00 0.00 N ATOM 456 CA ALA A 30 10.545 -8.095 -0.089 1.00 0.00 C ATOM 457 C ALA A 30 9.650 -9.331 0.171 1.00 0.00 C ATOM 458 O ALA A 30 10.110 -10.468 0.056 1.00 0.00 O ATOM 459 CB ALA A 30 11.144 -7.566 1.221 1.00 0.00 C ATOM 0 H ALA A 30 9.791 -6.143 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 30 11.333 -8.447 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.665 -8.374 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.847 -6.763 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.346 -7.185 1.858 1.00 0.00 H new ATOM 465 N ALA A 31 8.367 -9.117 0.475 1.00 0.00 N ATOM 466 CA ALA A 31 7.339 -10.142 0.673 1.00 0.00 C ATOM 467 C ALA A 31 6.910 -10.867 -0.625 1.00 0.00 C ATOM 468 O ALA A 31 6.190 -11.867 -0.560 1.00 0.00 O ATOM 469 CB ALA A 31 6.135 -9.473 1.348 1.00 0.00 C ATOM 0 H ALA A 31 7.998 -8.174 0.596 1.00 0.00 H new ATOM 0 HA ALA A 31 7.763 -10.926 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.351 -10.213 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.441 -9.054 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.756 -8.676 0.709 1.00 0.00 H new ATOM 475 N GLY A 32 7.346 -10.384 -1.796 1.00 0.00 N ATOM 476 CA GLY A 32 7.089 -10.986 -3.109 1.00 0.00 C ATOM 477 C GLY A 32 6.035 -10.267 -3.959 1.00 0.00 C ATOM 478 O GLY A 32 5.688 -10.773 -5.030 1.00 0.00 O ATOM 0 H GLY A 32 7.907 -9.534 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.025 -11.016 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.772 -12.019 -2.962 1.00 0.00 H new ATOM 482 N PHE A 33 5.533 -9.102 -3.525 1.00 0.00 N ATOM 483 CA PHE A 33 4.508 -8.315 -4.228 1.00 0.00 C ATOM 484 C PHE A 33 4.963 -6.859 -4.494 1.00 0.00 C ATOM 485 O PHE A 33 4.374 -5.909 -3.965 1.00 0.00 O ATOM 486 CB PHE A 33 3.178 -8.396 -3.456 1.00 0.00 C ATOM 487 CG PHE A 33 2.690 -9.797 -3.121 1.00 0.00 C ATOM 488 CD1 PHE A 33 2.484 -10.745 -4.144 1.00 0.00 C ATOM 489 CD2 PHE A 33 2.436 -10.154 -1.782 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.051 -12.045 -3.828 1.00 0.00 C ATOM 491 CE2 PHE A 33 1.994 -11.452 -1.466 1.00 0.00 C ATOM 492 CZ PHE A 33 1.810 -12.400 -2.488 1.00 0.00 C ATOM 0 H PHE A 33 5.836 -8.669 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 33 4.353 -8.747 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.285 -7.837 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.408 -7.894 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.659 -10.472 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.581 -9.429 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.903 -12.771 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.796 -11.720 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.484 -13.400 -2.245 1.00 0.00 H new ATOM 502 N PRO A 34 5.992 -6.643 -5.344 1.00 0.00 N ATOM 503 CA PRO A 34 6.507 -5.306 -5.665 1.00 0.00 C ATOM 504 C PRO A 34 5.513 -4.442 -6.456 1.00 0.00 C ATOM 505 O PRO A 34 5.592 -3.214 -6.406 1.00 0.00 O ATOM 506 CB PRO A 34 7.791 -5.551 -6.466 1.00 0.00 C ATOM 507 CG PRO A 34 7.555 -6.907 -7.127 1.00 0.00 C ATOM 508 CD PRO A 34 6.745 -7.659 -6.074 1.00 0.00 C ATOM 0 HA PRO A 34 6.686 -4.739 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.956 -4.768 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.669 -5.568 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.008 -6.810 -8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.492 -7.415 -7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.075 -8.382 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.399 -8.217 -5.404 1.00 0.00 H new ATOM 516 N GLN A 35 4.546 -5.063 -7.144 1.00 0.00 N ATOM 517 CA GLN A 35 3.471 -4.378 -7.867 1.00 0.00 C ATOM 518 C GLN A 35 2.676 -3.437 -6.950 1.00 0.00 C ATOM 519 O GLN A 35 2.439 -2.287 -7.320 1.00 0.00 O ATOM 520 CB GLN A 35 2.570 -5.427 -8.539 1.00 0.00 C ATOM 521 CG GLN A 35 1.474 -4.789 -9.408 1.00 0.00 C ATOM 522 CD GLN A 35 0.667 -5.843 -10.163 1.00 0.00 C ATOM 523 OE1 GLN A 35 0.937 -6.172 -11.312 1.00 0.00 O ATOM 524 NE2 GLN A 35 -0.348 -6.423 -9.553 1.00 0.00 N ATOM 0 H GLN A 35 4.490 -6.079 -7.214 1.00 0.00 H new ATOM 0 HA GLN A 35 3.908 -3.744 -8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.182 -6.085 -9.156 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.106 -6.048 -7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.806 -4.202 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.929 -4.100 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.586 -6.160 -8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.895 -7.134 -10.038 1.00 0.00 H new ATOM 533 N TYR A 36 2.305 -3.885 -5.742 1.00 0.00 N ATOM 534 CA TYR A 36 1.610 -3.041 -4.766 1.00 0.00 C ATOM 535 C TYR A 36 2.429 -1.789 -4.428 1.00 0.00 C ATOM 536 O TYR A 36 1.921 -0.685 -4.593 1.00 0.00 O ATOM 537 CB TYR A 36 1.246 -3.829 -3.498 1.00 0.00 C ATOM 538 CG TYR A 36 0.280 -4.991 -3.680 1.00 0.00 C ATOM 539 CD1 TYR A 36 -0.865 -4.868 -4.496 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.514 -6.200 -2.993 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.746 -5.956 -4.652 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.364 -7.291 -3.146 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.493 -7.175 -3.985 1.00 0.00 C ATOM 544 OH TYR A 36 -2.339 -8.227 -4.156 1.00 0.00 O ATOM 0 H TYR A 36 2.478 -4.837 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 36 0.678 -2.712 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.166 -4.215 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.815 -3.135 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.067 -3.936 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.373 -6.290 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.617 -5.858 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.173 -8.216 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.023 -8.990 -3.629 1.00 0.00 H new ATOM 554 N ALA A 37 3.700 -1.934 -4.035 1.00 0.00 N ATOM 555 CA ALA A 37 4.598 -0.809 -3.751 1.00 0.00 C ATOM 556 C ALA A 37 4.690 0.199 -4.917 1.00 0.00 C ATOM 557 O ALA A 37 4.545 1.406 -4.712 1.00 0.00 O ATOM 558 CB ALA A 37 5.979 -1.361 -3.380 1.00 0.00 C ATOM 0 H ALA A 37 4.138 -2.846 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 37 4.185 -0.247 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.656 -0.534 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.892 -1.996 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.372 -1.946 -4.211 1.00 0.00 H new ATOM 564 N GLN A 38 4.893 -0.289 -6.149 1.00 0.00 N ATOM 565 CA GLN A 38 4.965 0.540 -7.361 1.00 0.00 C ATOM 566 C GLN A 38 3.677 1.341 -7.639 1.00 0.00 C ATOM 567 O GLN A 38 3.753 2.484 -8.090 1.00 0.00 O ATOM 568 CB GLN A 38 5.318 -0.349 -8.567 1.00 0.00 C ATOM 569 CG GLN A 38 6.800 -0.767 -8.593 1.00 0.00 C ATOM 570 CD GLN A 38 7.733 0.410 -8.876 1.00 0.00 C ATOM 571 OE1 GLN A 38 8.397 0.943 -7.996 1.00 0.00 O ATOM 572 NE2 GLN A 38 7.811 0.877 -10.106 1.00 0.00 N ATOM 0 H GLN A 38 5.014 -1.285 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 38 5.746 1.282 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.694 -1.243 -8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.081 0.185 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.065 -1.215 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.945 -1.533 -9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.265 0.445 -10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.418 1.670 -10.313 1.00 0.00 H new ATOM 581 N LEU A 39 2.499 0.782 -7.335 1.00 0.00 N ATOM 582 CA LEU A 39 1.184 1.417 -7.523 1.00 0.00 C ATOM 583 C LEU A 39 0.878 2.591 -6.561 1.00 0.00 C ATOM 584 O LEU A 39 -0.191 3.199 -6.672 1.00 0.00 O ATOM 585 CB LEU A 39 0.093 0.327 -7.449 1.00 0.00 C ATOM 586 CG LEU A 39 0.006 -0.580 -8.695 1.00 0.00 C ATOM 587 CD1 LEU A 39 -0.929 -1.756 -8.404 1.00 0.00 C ATOM 588 CD2 LEU A 39 -0.530 0.151 -9.929 1.00 0.00 C ATOM 0 H LEU A 39 2.430 -0.155 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 39 1.198 1.885 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.279 -0.296 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.873 0.808 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 39 1.021 -0.913 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.991 -2.397 -9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.541 -2.330 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.922 -1.379 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.568 -0.538 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.532 0.527 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.128 0.985 -10.172 1.00 0.00 H new ATOM 600 N TYR A 40 1.785 2.947 -5.641 1.00 0.00 N ATOM 601 CA TYR A 40 1.622 4.087 -4.725 1.00 0.00 C ATOM 602 C TYR A 40 1.486 5.421 -5.471 1.00 0.00 C ATOM 603 O TYR A 40 0.517 6.153 -5.272 1.00 0.00 O ATOM 604 CB TYR A 40 2.784 4.142 -3.718 1.00 0.00 C ATOM 605 CG TYR A 40 2.680 5.230 -2.657 1.00 0.00 C ATOM 606 CD1 TYR A 40 1.459 5.486 -1.995 1.00 0.00 C ATOM 607 CD2 TYR A 40 3.829 5.966 -2.303 1.00 0.00 C ATOM 608 CE1 TYR A 40 1.383 6.484 -1.004 1.00 0.00 C ATOM 609 CE2 TYR A 40 3.762 6.953 -1.301 1.00 0.00 C ATOM 610 CZ TYR A 40 2.536 7.216 -0.647 1.00 0.00 C ATOM 611 OH TYR A 40 2.466 8.156 0.334 1.00 0.00 O ATOM 0 H TYR A 40 2.664 2.446 -5.509 1.00 0.00 H new ATOM 0 HA TYR A 40 0.691 3.931 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.854 3.176 -3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.713 4.284 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.579 4.914 -2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.766 5.772 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.441 6.689 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.648 7.510 -1.032 1.00 0.00 H new ATOM 0 HH TYR A 40 1.566 8.543 0.353 1.00 0.00 H new ATOM 621 N GLU A 41 2.434 5.731 -6.361 1.00 0.00 N ATOM 622 CA GLU A 41 2.434 6.975 -7.149 1.00 0.00 C ATOM 623 C GLU A 41 1.319 7.009 -8.218 1.00 0.00 C ATOM 624 O GLU A 41 0.888 8.084 -8.636 1.00 0.00 O ATOM 625 CB GLU A 41 3.810 7.191 -7.801 1.00 0.00 C ATOM 626 CG GLU A 41 4.944 7.278 -6.764 1.00 0.00 C ATOM 627 CD GLU A 41 6.285 7.723 -7.385 1.00 0.00 C ATOM 628 OE1 GLU A 41 6.649 7.254 -8.494 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.005 8.536 -6.752 1.00 0.00 O ATOM 0 H GLU A 41 3.230 5.124 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 41 2.227 7.790 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.014 6.372 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.790 8.107 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.661 7.980 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.073 6.305 -6.290 1.00 0.00 H new ATOM 636 N ASP A 42 0.804 5.842 -8.624 1.00 0.00 N ATOM 637 CA ASP A 42 -0.400 5.688 -9.456 1.00 0.00 C ATOM 638 C ASP A 42 -1.719 5.860 -8.667 1.00 0.00 C ATOM 639 O ASP A 42 -2.796 5.885 -9.267 1.00 0.00 O ATOM 640 CB ASP A 42 -0.363 4.320 -10.159 1.00 0.00 C ATOM 641 CG ASP A 42 0.691 4.281 -11.276 1.00 0.00 C ATOM 642 OD1 ASP A 42 0.447 4.872 -12.357 1.00 0.00 O ATOM 643 OD2 ASP A 42 1.756 3.643 -11.093 1.00 0.00 O ATOM 0 H ASP A 42 1.227 4.948 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.387 6.491 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.147 3.541 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.345 4.100 -10.578 1.00 0.00 H new ATOM 648 N SER A 43 -1.654 6.007 -7.336 1.00 0.00 N ATOM 649 CA SER A 43 -2.786 6.177 -6.405 1.00 0.00 C ATOM 650 C SER A 43 -3.777 4.993 -6.369 1.00 0.00 C ATOM 651 O SER A 43 -4.962 5.180 -6.086 1.00 0.00 O ATOM 652 CB SER A 43 -3.496 7.525 -6.632 1.00 0.00 C ATOM 653 OG SER A 43 -2.584 8.611 -6.546 1.00 0.00 O ATOM 0 H SER A 43 -0.758 6.011 -6.849 1.00 0.00 H new ATOM 0 HA SER A 43 -2.344 6.186 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.974 7.526 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.286 7.651 -5.892 1.00 0.00 H new ATOM 0 HG SER A 43 -3.063 9.453 -6.696 1.00 0.00 H new ATOM 659 N GLN A 44 -3.307 3.766 -6.635 1.00 0.00 N ATOM 660 CA GLN A 44 -4.136 2.542 -6.706 1.00 0.00 C ATOM 661 C GLN A 44 -4.011 1.629 -5.464 1.00 0.00 C ATOM 662 O GLN A 44 -4.306 0.437 -5.534 1.00 0.00 O ATOM 663 CB GLN A 44 -3.869 1.791 -8.025 1.00 0.00 C ATOM 664 CG GLN A 44 -4.261 2.610 -9.266 1.00 0.00 C ATOM 665 CD GLN A 44 -4.138 1.821 -10.571 1.00 0.00 C ATOM 666 OE1 GLN A 44 -4.497 0.654 -10.678 1.00 0.00 O ATOM 667 NE2 GLN A 44 -3.636 2.427 -11.627 1.00 0.00 N ATOM 0 H GLN A 44 -2.318 3.587 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.178 2.863 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.811 1.534 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.425 0.854 -8.023 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.288 2.958 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.629 3.496 -9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.331 3.398 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.552 1.925 -12.511 1.00 0.00 H new ATOM 676 N PHE A 45 -3.580 2.163 -4.315 1.00 0.00 N ATOM 677 CA PHE A 45 -3.630 1.470 -3.016 1.00 0.00 C ATOM 678 C PHE A 45 -5.063 1.187 -2.494 1.00 0.00 C ATOM 679 O PHE A 45 -5.342 0.031 -2.159 1.00 0.00 O ATOM 680 CB PHE A 45 -2.795 2.231 -1.973 1.00 0.00 C ATOM 681 CG PHE A 45 -1.391 1.695 -1.800 1.00 0.00 C ATOM 682 CD1 PHE A 45 -0.463 1.813 -2.849 1.00 0.00 C ATOM 683 CD2 PHE A 45 -1.008 1.067 -0.599 1.00 0.00 C ATOM 684 CE1 PHE A 45 0.838 1.315 -2.687 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.297 0.562 -0.449 1.00 0.00 C ATOM 686 CZ PHE A 45 1.220 0.677 -1.498 1.00 0.00 C ATOM 0 H PHE A 45 -3.181 3.100 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.194 0.485 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.739 3.280 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.309 2.192 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.751 2.286 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.718 0.973 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.554 1.424 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.588 0.085 0.475 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.218 0.277 -1.391 1.00 0.00 H new ATOM 696 N PRO A 46 -5.975 2.180 -2.371 1.00 0.00 N ATOM 697 CA PRO A 46 -7.333 1.965 -1.853 1.00 0.00 C ATOM 698 C PRO A 46 -8.255 1.291 -2.894 1.00 0.00 C ATOM 699 O PRO A 46 -9.079 1.941 -3.542 1.00 0.00 O ATOM 700 CB PRO A 46 -7.821 3.355 -1.412 1.00 0.00 C ATOM 701 CG PRO A 46 -7.087 4.305 -2.355 1.00 0.00 C ATOM 702 CD PRO A 46 -5.749 3.608 -2.590 1.00 0.00 C ATOM 0 HA PRO A 46 -7.345 1.269 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.903 3.450 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.575 3.555 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.634 4.448 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.954 5.290 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.389 3.792 -3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.989 3.989 -1.908 1.00 0.00 H new ATOM 710 N ILE A 47 -8.120 -0.034 -3.052 1.00 0.00 N ATOM 711 CA ILE A 47 -8.857 -0.874 -4.021 1.00 0.00 C ATOM 712 C ILE A 47 -9.453 -2.139 -3.370 1.00 0.00 C ATOM 713 O ILE A 47 -9.310 -3.250 -3.880 1.00 0.00 O ATOM 714 CB ILE A 47 -7.991 -1.184 -5.270 1.00 0.00 C ATOM 715 CG1 ILE A 47 -6.668 -1.907 -4.922 1.00 0.00 C ATOM 716 CG2 ILE A 47 -7.731 0.108 -6.068 1.00 0.00 C ATOM 717 CD1 ILE A 47 -6.013 -2.583 -6.133 1.00 0.00 C ATOM 0 H ILE A 47 -7.468 -0.577 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.713 -0.296 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.556 -1.878 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.970 -1.188 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.862 -2.658 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.122 -0.121 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.681 0.535 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.205 0.825 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.090 -3.072 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.695 -3.326 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.788 -1.833 -6.891 1.00 0.00 H new ATOM 729 N ASN A 48 -10.132 -1.963 -2.228 1.00 0.00 N ATOM 730 CA ASN A 48 -10.672 -3.023 -1.361 1.00 0.00 C ATOM 731 C ASN A 48 -9.579 -3.996 -0.863 1.00 0.00 C ATOM 732 O ASN A 48 -9.362 -5.071 -1.426 1.00 0.00 O ATOM 733 CB ASN A 48 -11.872 -3.708 -2.055 1.00 0.00 C ATOM 734 CG ASN A 48 -12.575 -4.738 -1.186 1.00 0.00 C ATOM 735 OD1 ASN A 48 -12.259 -4.944 -0.022 1.00 0.00 O ATOM 736 ND2 ASN A 48 -13.555 -5.425 -1.728 1.00 0.00 N ATOM 0 H ASN A 48 -10.330 -1.031 -1.864 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.053 -2.572 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.592 -2.945 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.524 -4.192 -2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.050 -6.128 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.821 -5.256 -2.698 1.00 0.00 H new ATOM 743 N ILE A 49 -8.899 -3.629 0.232 1.00 0.00 N ATOM 744 CA ILE A 49 -7.819 -4.433 0.844 1.00 0.00 C ATOM 745 C ILE A 49 -8.300 -5.856 1.203 1.00 0.00 C ATOM 746 O ILE A 49 -7.554 -6.823 1.042 1.00 0.00 O ATOM 747 CB ILE A 49 -7.191 -3.686 2.050 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.526 -2.368 1.573 1.00 0.00 C ATOM 749 CG2 ILE A 49 -6.146 -4.563 2.770 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.062 -1.435 2.702 1.00 0.00 C ATOM 0 H ILE A 49 -9.082 -2.756 0.727 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.029 -4.562 0.104 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.991 -3.457 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.667 -2.616 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.233 -1.829 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.725 -4.011 3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.624 -5.472 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.350 -4.827 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.610 -0.541 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.918 -1.151 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.328 -1.950 3.321 1.00 0.00 H new ATOM 762 N VAL A 50 -9.565 -6.006 1.618 1.00 0.00 N ATOM 763 CA VAL A 50 -10.199 -7.302 1.942 1.00 0.00 C ATOM 764 C VAL A 50 -10.269 -8.238 0.726 1.00 0.00 C ATOM 765 O VAL A 50 -10.174 -9.455 0.886 1.00 0.00 O ATOM 766 CB VAL A 50 -11.604 -7.112 2.563 1.00 0.00 C ATOM 767 CG1 VAL A 50 -12.153 -8.416 3.163 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.601 -6.070 3.692 1.00 0.00 C ATOM 0 H VAL A 50 -10.195 -5.214 1.742 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.559 -7.778 2.685 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.233 -6.778 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.141 -8.234 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.227 -9.173 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.481 -8.767 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.608 -5.970 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.922 -6.391 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.271 -5.108 3.299 1.00 0.00 H new ATOM 778 N ALA A 51 -10.374 -7.700 -0.494 1.00 0.00 N ATOM 779 CA ALA A 51 -10.242 -8.472 -1.729 1.00 0.00 C ATOM 780 C ALA A 51 -8.775 -8.840 -2.018 1.00 0.00 C ATOM 781 O ALA A 51 -8.463 -10.026 -2.139 1.00 0.00 O ATOM 782 CB ALA A 51 -10.883 -7.710 -2.896 1.00 0.00 C ATOM 0 H ALA A 51 -10.554 -6.708 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.775 -9.414 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.780 -8.293 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.940 -7.547 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.385 -6.748 -3.020 1.00 0.00 H new ATOM 788 N VAL A 52 -7.864 -7.856 -2.114 1.00 0.00 N ATOM 789 CA VAL A 52 -6.476 -8.106 -2.569 1.00 0.00 C ATOM 790 C VAL A 52 -5.713 -9.088 -1.671 1.00 0.00 C ATOM 791 O VAL A 52 -4.946 -9.914 -2.172 1.00 0.00 O ATOM 792 CB VAL A 52 -5.648 -6.823 -2.810 1.00 0.00 C ATOM 793 CG1 VAL A 52 -6.430 -5.775 -3.614 1.00 0.00 C ATOM 794 CG2 VAL A 52 -5.107 -6.172 -1.534 1.00 0.00 C ATOM 0 H VAL A 52 -8.058 -6.881 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.603 -8.580 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.790 -7.168 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.810 -4.891 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.703 -6.190 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.333 -5.499 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.539 -5.279 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.939 -5.897 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.458 -6.876 -1.013 1.00 0.00 H new ATOM 804 N LYS A 53 -5.964 -9.064 -0.352 1.00 0.00 N ATOM 805 CA LYS A 53 -5.371 -9.999 0.621 1.00 0.00 C ATOM 806 C LYS A 53 -5.883 -11.449 0.507 1.00 0.00 C ATOM 807 O LYS A 53 -5.259 -12.361 1.048 1.00 0.00 O ATOM 808 CB LYS A 53 -5.553 -9.433 2.042 1.00 0.00 C ATOM 809 CG LYS A 53 -6.953 -9.669 2.639 1.00 0.00 C ATOM 810 CD LYS A 53 -7.152 -8.922 3.966 1.00 0.00 C ATOM 811 CE LYS A 53 -8.362 -9.500 4.716 1.00 0.00 C ATOM 812 NZ LYS A 53 -8.365 -9.087 6.147 1.00 0.00 N ATOM 0 H LYS A 53 -6.594 -8.385 0.076 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.309 -10.075 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.809 -9.884 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.354 -8.361 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.710 -9.345 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.102 -10.737 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.256 -9.010 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.305 -7.860 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.282 -9.165 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.347 -10.588 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.195 -9.494 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.498 -9.428 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.405 -8.050 6.209 1.00 0.00 H new ATOM 826 N ASN A 54 -7.000 -11.659 -0.199 1.00 0.00 N ATOM 827 CA ASN A 54 -7.731 -12.925 -0.342 1.00 0.00 C ATOM 828 C ASN A 54 -7.792 -13.441 -1.800 1.00 0.00 C ATOM 829 O ASN A 54 -8.537 -14.384 -2.080 1.00 0.00 O ATOM 830 CB ASN A 54 -9.142 -12.754 0.268 1.00 0.00 C ATOM 831 CG ASN A 54 -9.191 -12.726 1.789 1.00 0.00 C ATOM 832 OD1 ASN A 54 -8.319 -13.221 2.492 1.00 0.00 O ATOM 833 ND2 ASN A 54 -10.244 -12.183 2.354 1.00 0.00 N ATOM 0 H ASN A 54 -7.446 -10.903 -0.718 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.184 -13.696 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -9.574 -11.828 -0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.774 -13.569 -0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.331 -12.176 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.976 -11.768 1.777 1.00 0.00 H new ATOM 840 N ASP A 55 -7.035 -12.861 -2.740 1.00 0.00 N ATOM 841 CA ASP A 55 -6.948 -13.303 -4.146 1.00 0.00 C ATOM 842 C ASP A 55 -6.208 -14.656 -4.299 1.00 0.00 C ATOM 843 O ASP A 55 -5.075 -14.726 -4.785 1.00 0.00 O ATOM 844 CB ASP A 55 -6.320 -12.196 -5.024 1.00 0.00 C ATOM 845 CG ASP A 55 -7.282 -11.056 -5.407 1.00 0.00 C ATOM 846 OD1 ASP A 55 -8.509 -11.289 -5.546 1.00 0.00 O ATOM 847 OD2 ASP A 55 -6.796 -9.929 -5.665 1.00 0.00 O ATOM 0 H ASP A 55 -6.449 -12.050 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.965 -13.478 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.467 -11.771 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.934 -12.650 -5.937 1.00 0.00 H new ATOM 852 N HIS A 56 -6.873 -15.741 -3.883 1.00 0.00 N ATOM 853 CA HIS A 56 -6.452 -17.152 -3.923 1.00 0.00 C ATOM 854 C HIS A 56 -4.974 -17.388 -3.543 1.00 0.00 C ATOM 855 O HIS A 56 -4.229 -18.101 -4.226 1.00 0.00 O ATOM 856 CB HIS A 56 -6.876 -17.772 -5.265 1.00 0.00 C ATOM 857 CG HIS A 56 -8.371 -17.738 -5.474 1.00 0.00 C ATOM 858 ND1 HIS A 56 -9.289 -18.576 -4.875 1.00 0.00 N ATOM 859 CD2 HIS A 56 -9.064 -16.849 -6.252 1.00 0.00 C ATOM 860 CE1 HIS A 56 -10.515 -18.202 -5.283 1.00 0.00 C ATOM 861 NE2 HIS A 56 -10.426 -17.154 -6.123 1.00 0.00 N ATOM 0 H HIS A 56 -7.802 -15.648 -3.473 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.976 -17.684 -3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.387 -17.237 -6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.530 -18.805 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.639 -16.059 -6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.438 -18.674 -4.980 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.202 -16.673 -6.579 1.00 0.00 H new ATOM 869 N ASP A 57 -4.544 -16.763 -2.444 1.00 0.00 N ATOM 870 CA ASP A 57 -3.181 -16.834 -1.899 1.00 0.00 C ATOM 871 C ASP A 57 -2.975 -18.052 -0.962 1.00 0.00 C ATOM 872 O ASP A 57 -3.848 -18.918 -0.836 1.00 0.00 O ATOM 873 CB ASP A 57 -2.856 -15.491 -1.220 1.00 0.00 C ATOM 874 CG ASP A 57 -1.363 -15.160 -1.357 1.00 0.00 C ATOM 875 OD1 ASP A 57 -0.982 -14.521 -2.366 1.00 0.00 O ATOM 876 OD2 ASP A 57 -0.568 -15.577 -0.485 1.00 0.00 O ATOM 0 H ASP A 57 -5.158 -16.170 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.476 -16.997 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.452 -14.697 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.128 -15.536 -0.165 1.00 0.00 H new ATOM 881 N PHE A 58 -1.812 -18.144 -0.308 1.00 0.00 N ATOM 882 CA PHE A 58 -1.461 -19.201 0.650 1.00 0.00 C ATOM 883 C PHE A 58 -2.410 -19.217 1.870 1.00 0.00 C ATOM 884 O PHE A 58 -2.941 -18.175 2.271 1.00 0.00 O ATOM 885 CB PHE A 58 0.008 -18.995 1.071 1.00 0.00 C ATOM 886 CG PHE A 58 0.762 -20.263 1.422 1.00 0.00 C ATOM 887 CD1 PHE A 58 1.013 -21.226 0.423 1.00 0.00 C ATOM 888 CD2 PHE A 58 1.277 -20.458 2.717 1.00 0.00 C ATOM 889 CE1 PHE A 58 1.761 -22.379 0.721 1.00 0.00 C ATOM 890 CE2 PHE A 58 2.026 -21.613 3.015 1.00 0.00 C ATOM 891 CZ PHE A 58 2.266 -22.573 2.018 1.00 0.00 C ATOM 0 H PHE A 58 -1.064 -17.463 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.576 -20.176 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.534 -18.491 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.032 -18.327 1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.629 -21.077 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.097 -19.720 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.947 -23.115 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.416 -21.761 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.838 -23.460 2.248 1.00 0.00 H new ATOM 901 N LEU A 59 -2.616 -20.390 2.485 1.00 0.00 N ATOM 902 CA LEU A 59 -3.577 -20.576 3.589 1.00 0.00 C ATOM 903 C LEU A 59 -3.195 -19.797 4.870 1.00 0.00 C ATOM 904 O LEU A 59 -4.059 -19.422 5.660 1.00 0.00 O ATOM 905 CB LEU A 59 -3.707 -22.086 3.891 1.00 0.00 C ATOM 906 CG LEU A 59 -4.996 -22.461 4.655 1.00 0.00 C ATOM 907 CD1 LEU A 59 -6.202 -22.542 3.712 1.00 0.00 C ATOM 908 CD2 LEU A 59 -4.842 -23.820 5.338 1.00 0.00 C ATOM 0 H LEU A 59 -2.119 -21.244 2.231 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.534 -20.167 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.679 -22.638 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.844 -22.406 4.475 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.162 -21.679 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.092 -22.808 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.354 -21.575 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.018 -23.300 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.761 -24.066 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.643 -24.584 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.013 -23.780 6.044 1.00 0.00 H new ATOM 920 N GLU A 60 -1.899 -19.555 5.082 1.00 0.00 N ATOM 921 CA GLU A 60 -1.345 -18.861 6.252 1.00 0.00 C ATOM 922 C GLU A 60 -1.673 -17.353 6.260 1.00 0.00 C ATOM 923 O GLU A 60 -0.973 -16.539 5.651 1.00 0.00 O ATOM 924 CB GLU A 60 0.178 -19.083 6.338 1.00 0.00 C ATOM 925 CG GLU A 60 0.604 -20.557 6.475 1.00 0.00 C ATOM 926 CD GLU A 60 0.086 -21.252 7.754 1.00 0.00 C ATOM 927 OE1 GLU A 60 -0.146 -20.576 8.787 1.00 0.00 O ATOM 928 OE2 GLU A 60 -0.071 -22.497 7.740 1.00 0.00 O ATOM 0 H GLU A 60 -1.179 -19.847 4.421 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.822 -19.293 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.644 -18.665 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.566 -18.526 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.247 -21.109 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.693 -20.611 6.461 1.00 0.00 H new ATOM 935 N LYS A 61 -2.715 -16.961 7.010 1.00 0.00 N ATOM 936 CA LYS A 61 -3.098 -15.556 7.273 1.00 0.00 C ATOM 937 C LYS A 61 -2.041 -14.757 8.062 1.00 0.00 C ATOM 938 O LYS A 61 -2.180 -13.545 8.233 1.00 0.00 O ATOM 939 CB LYS A 61 -4.477 -15.504 7.964 1.00 0.00 C ATOM 940 CG LYS A 61 -5.603 -16.057 7.067 1.00 0.00 C ATOM 941 CD LYS A 61 -6.999 -16.076 7.713 1.00 0.00 C ATOM 942 CE LYS A 61 -7.603 -14.687 7.983 1.00 0.00 C ATOM 943 NZ LYS A 61 -7.310 -14.185 9.353 1.00 0.00 N ATOM 0 H LYS A 61 -3.336 -17.630 7.466 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.161 -15.063 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.439 -16.078 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.706 -14.474 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.649 -15.459 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.343 -17.073 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.677 -16.632 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.941 -16.621 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.215 -13.979 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.683 -14.732 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.347 -13.146 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.016 -14.559 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.362 -14.499 9.642 1.00 0.00 H new ATOM 957 N ASP A 62 -0.956 -15.388 8.508 1.00 0.00 N ATOM 958 CA ASP A 62 0.198 -14.730 9.133 1.00 0.00 C ATOM 959 C ASP A 62 0.919 -13.732 8.199 1.00 0.00 C ATOM 960 O ASP A 62 1.421 -12.713 8.671 1.00 0.00 O ATOM 961 CB ASP A 62 1.167 -15.810 9.634 1.00 0.00 C ATOM 962 CG ASP A 62 2.301 -15.214 10.485 1.00 0.00 C ATOM 963 OD1 ASP A 62 2.026 -14.758 11.623 1.00 0.00 O ATOM 964 OD2 ASP A 62 3.472 -15.228 10.037 1.00 0.00 O ATOM 0 H ASP A 62 -0.849 -16.400 8.444 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.171 -14.131 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.618 -16.544 10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.593 -16.339 8.782 1.00 0.00 H new ATOM 969 N LEU A 63 0.929 -13.975 6.877 1.00 0.00 N ATOM 970 CA LEU A 63 1.434 -13.019 5.874 1.00 0.00 C ATOM 971 C LEU A 63 0.436 -11.877 5.586 1.00 0.00 C ATOM 972 O LEU A 63 0.835 -10.771 5.217 1.00 0.00 O ATOM 973 CB LEU A 63 1.791 -13.789 4.583 1.00 0.00 C ATOM 974 CG LEU A 63 2.443 -12.936 3.470 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.755 -12.289 3.921 1.00 0.00 C ATOM 976 CD2 LEU A 63 2.745 -13.804 2.248 1.00 0.00 C ATOM 0 H LEU A 63 0.585 -14.845 6.471 1.00 0.00 H new ATOM 0 HA LEU A 63 2.326 -12.540 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.469 -14.603 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.883 -14.243 4.186 1.00 0.00 H new ATOM 0 HG LEU A 63 1.728 -12.150 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.171 -11.702 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.565 -11.638 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.464 -13.066 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.204 -13.192 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.429 -14.605 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.818 -14.235 1.870 1.00 0.00 H new ATOM 988 N VAL A 64 -0.864 -12.128 5.774 1.00 0.00 N ATOM 989 CA VAL A 64 -1.938 -11.140 5.591 1.00 0.00 C ATOM 990 C VAL A 64 -1.879 -10.024 6.641 1.00 0.00 C ATOM 991 O VAL A 64 -2.137 -8.874 6.301 1.00 0.00 O ATOM 992 CB VAL A 64 -3.322 -11.827 5.550 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.474 -10.823 5.561 1.00 0.00 C ATOM 994 CG2 VAL A 64 -3.450 -12.689 4.288 1.00 0.00 C ATOM 0 H VAL A 64 -1.209 -13.043 6.064 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.782 -10.660 4.625 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.388 -12.441 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.423 -11.358 5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.425 -10.222 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.397 -10.171 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.429 -13.167 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.339 -12.060 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.673 -13.454 4.289 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.494 -10.317 7.888 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.323 -9.316 8.960 1.00 0.00 C ATOM 1006 C GLU A 65 -0.438 -8.111 8.562 1.00 0.00 C ATOM 1007 O GLU A 65 -0.957 -6.991 8.533 1.00 0.00 O ATOM 1008 CB GLU A 65 -0.833 -9.983 10.263 1.00 0.00 C ATOM 1009 CG GLU A 65 -1.947 -10.164 11.302 1.00 0.00 C ATOM 1010 CD GLU A 65 -2.448 -8.812 11.854 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -1.699 -8.141 12.606 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -3.598 -8.419 11.547 1.00 0.00 O ATOM 0 H GLU A 65 -1.288 -11.269 8.191 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.312 -8.893 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.403 -10.956 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.035 -9.379 10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.780 -10.702 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.579 -10.778 12.124 1.00 0.00 H new ATOM 1019 N PRO A 66 0.862 -8.280 8.232 1.00 0.00 N ATOM 1020 CA PRO A 66 1.725 -7.167 7.829 1.00 0.00 C ATOM 1021 C PRO A 66 1.264 -6.508 6.521 1.00 0.00 C ATOM 1022 O PRO A 66 1.244 -5.279 6.445 1.00 0.00 O ATOM 1023 CB PRO A 66 3.141 -7.744 7.738 1.00 0.00 C ATOM 1024 CG PRO A 66 2.920 -9.238 7.514 1.00 0.00 C ATOM 1025 CD PRO A 66 1.629 -9.517 8.274 1.00 0.00 C ATOM 0 HA PRO A 66 1.685 -6.357 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.702 -7.296 6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.707 -7.557 8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.823 -9.476 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.750 -9.830 7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.075 -10.335 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.838 -9.812 9.302 1.00 0.00 H new ATOM 1033 N LEU A 67 0.820 -7.277 5.523 1.00 0.00 N ATOM 1034 CA LEU A 67 0.248 -6.760 4.270 1.00 0.00 C ATOM 1035 C LEU A 67 -0.928 -5.798 4.532 1.00 0.00 C ATOM 1036 O LEU A 67 -0.930 -4.668 4.046 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.104 -7.964 3.373 1.00 0.00 C ATOM 1038 CG LEU A 67 -0.693 -7.605 1.991 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.245 -8.625 0.940 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -2.224 -7.622 2.010 1.00 0.00 C ATOM 0 H LEU A 67 0.847 -8.296 5.561 1.00 0.00 H new ATOM 0 HA LEU A 67 0.975 -6.146 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.796 -8.560 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.819 -8.594 3.902 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.334 -6.605 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.668 -8.359 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.843 -8.625 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.591 -9.618 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.603 -7.365 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.573 -8.617 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.587 -6.896 2.738 1.00 0.00 H new ATOM 1052 N CYS A 68 -1.884 -6.194 5.377 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.023 -5.386 5.826 1.00 0.00 C ATOM 1054 C CYS A 68 -2.643 -4.213 6.768 1.00 0.00 C ATOM 1055 O CYS A 68 -3.518 -3.497 7.261 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.049 -6.344 6.457 1.00 0.00 C ATOM 1057 SG CYS A 68 -5.703 -5.592 6.490 1.00 0.00 S ATOM 0 H CYS A 68 -1.886 -7.129 5.786 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.454 -4.879 4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.080 -7.275 5.891 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.740 -6.598 7.471 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.607 -4.347 6.852 1.00 0.00 H new ATOM 1063 N ARG A 69 -1.344 -3.986 7.033 1.00 0.00 N ATOM 1064 CA ARG A 69 -0.805 -2.782 7.702 1.00 0.00 C ATOM 1065 C ARG A 69 -0.033 -1.900 6.720 1.00 0.00 C ATOM 1066 O ARG A 69 -0.297 -0.701 6.650 1.00 0.00 O ATOM 1067 CB ARG A 69 0.050 -3.165 8.930 1.00 0.00 C ATOM 1068 CG ARG A 69 -0.769 -3.251 10.229 1.00 0.00 C ATOM 1069 CD ARG A 69 -1.710 -4.462 10.307 1.00 0.00 C ATOM 1070 NE ARG A 69 -2.760 -4.264 11.323 1.00 0.00 N ATOM 1071 CZ ARG A 69 -3.921 -3.649 11.168 1.00 0.00 C ATOM 1072 NH1 ARG A 69 -4.320 -3.158 10.027 1.00 0.00 N ATOM 1073 NH2 ARG A 69 -4.720 -3.504 12.186 1.00 0.00 N ATOM 0 H ARG A 69 -0.616 -4.654 6.781 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.647 -2.193 8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.531 -4.126 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.845 -2.430 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.083 -3.284 11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.359 -2.340 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.171 -4.630 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.135 -5.357 10.546 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.570 -4.644 12.250 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.727 -3.240 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.225 -2.693 9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.450 -3.864 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.615 -3.030 12.068 1.00 0.00 H new ATOM 1087 N ARG A 70 0.871 -2.479 5.918 1.00 0.00 N ATOM 1088 CA ARG A 70 1.630 -1.768 4.871 1.00 0.00 C ATOM 1089 C ARG A 70 0.722 -1.141 3.803 1.00 0.00 C ATOM 1090 O ARG A 70 0.957 -0.005 3.392 1.00 0.00 O ATOM 1091 CB ARG A 70 2.672 -2.700 4.223 1.00 0.00 C ATOM 1092 CG ARG A 70 3.721 -3.346 5.152 1.00 0.00 C ATOM 1093 CD ARG A 70 4.323 -2.467 6.267 1.00 0.00 C ATOM 1094 NE ARG A 70 3.765 -2.750 7.607 1.00 0.00 N ATOM 1095 CZ ARG A 70 4.053 -3.773 8.395 1.00 0.00 C ATOM 1096 NH1 ARG A 70 4.834 -4.747 8.017 1.00 0.00 N ATOM 1097 NH2 ARG A 70 3.564 -3.835 9.600 1.00 0.00 N ATOM 0 H ARG A 70 1.102 -3.471 5.977 1.00 0.00 H new ATOM 0 HA ARG A 70 2.150 -0.946 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.137 -3.500 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.203 -2.132 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.264 -4.217 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.540 -3.711 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.403 -2.616 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.151 -1.418 6.025 1.00 0.00 H new ATOM 0 HE ARG A 70 3.082 -2.082 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.247 -4.737 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.032 -5.519 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.955 -3.092 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.790 -4.627 10.202 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.350 -1.831 3.394 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.392 -1.257 2.531 1.00 0.00 C ATOM 1113 C LEU A 71 -2.218 -0.179 3.258 1.00 0.00 C ATOM 1114 O LEU A 71 -2.420 0.909 2.719 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.285 -2.369 1.946 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.560 -3.386 1.035 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.577 -4.379 0.475 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.840 -2.747 -0.152 1.00 0.00 C ATOM 0 H LEU A 71 -0.520 -2.803 3.652 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.896 -0.754 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.750 -2.911 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.090 -1.904 1.376 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.809 -3.868 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.068 -5.097 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.061 -4.907 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.329 -3.842 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.355 -3.523 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.562 -2.215 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.089 -2.046 0.212 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.658 -0.453 4.492 1.00 0.00 N ATOM 1131 CA ASN A 72 -3.522 0.428 5.294 1.00 0.00 C ATOM 1132 C ASN A 72 -2.846 1.719 5.830 1.00 0.00 C ATOM 1133 O ASN A 72 -3.505 2.535 6.479 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.153 -0.408 6.422 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.333 0.300 7.080 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -6.323 0.631 6.443 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -5.280 0.541 8.372 1.00 0.00 N ATOM 0 H ASN A 72 -2.417 -1.318 4.976 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.290 0.817 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.486 -1.365 6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.397 -0.625 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.062 1.002 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.457 0.267 8.909 1.00 0.00 H new ATOM 1144 N THR A 73 -1.545 1.929 5.582 1.00 0.00 N ATOM 1145 CA THR A 73 -0.833 3.180 5.918 1.00 0.00 C ATOM 1146 C THR A 73 -0.592 4.071 4.689 1.00 0.00 C ATOM 1147 O THR A 73 -0.828 5.280 4.749 1.00 0.00 O ATOM 1148 CB THR A 73 0.433 2.902 6.754 1.00 0.00 C ATOM 1149 OG1 THR A 73 0.866 4.099 7.359 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.620 2.317 5.990 1.00 0.00 C ATOM 0 H THR A 73 -0.948 1.231 5.138 1.00 0.00 H new ATOM 0 HA THR A 73 -1.488 3.770 6.559 1.00 0.00 H new ATOM 0 HB THR A 73 0.124 2.143 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.670 3.924 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.453 2.162 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.333 1.363 5.547 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.922 3.007 5.202 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.224 3.492 3.535 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.073 4.224 2.265 1.00 0.00 C ATOM 1160 C LEU A 74 -1.419 4.625 1.635 1.00 0.00 C ATOM 1161 O LEU A 74 -1.521 5.725 1.092 1.00 0.00 O ATOM 1162 CB LEU A 74 0.765 3.392 1.275 1.00 0.00 C ATOM 1163 CG LEU A 74 2.256 3.765 1.244 1.00 0.00 C ATOM 1164 CD1 LEU A 74 2.933 3.567 2.592 1.00 0.00 C ATOM 1165 CD2 LEU A 74 3.013 2.910 0.229 1.00 0.00 C ATOM 0 H LEU A 74 -0.021 2.496 3.455 1.00 0.00 H new ATOM 0 HA LEU A 74 0.446 5.155 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.671 2.337 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.351 3.513 0.274 1.00 0.00 H new ATOM 0 HG LEU A 74 2.289 4.820 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.984 3.845 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.446 4.193 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.855 2.521 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.065 3.194 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.922 1.858 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.593 3.067 -0.764 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.460 3.783 1.714 1.00 0.00 N ATOM 1178 CA ASN A 75 -3.778 4.078 1.125 1.00 0.00 C ATOM 1179 C ASN A 75 -4.411 5.379 1.666 1.00 0.00 C ATOM 1180 O ASN A 75 -5.032 6.138 0.917 1.00 0.00 O ATOM 1181 CB ASN A 75 -4.717 2.859 1.290 1.00 0.00 C ATOM 1182 CG ASN A 75 -5.296 2.674 2.686 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -4.677 2.979 3.690 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -6.510 2.191 2.801 1.00 0.00 N ATOM 0 H ASN A 75 -2.414 2.880 2.186 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.626 4.259 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.540 2.956 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.168 1.957 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.927 2.074 3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.037 1.932 1.967 1.00 0.00 H new ATOM 1191 N LYS A 76 -4.205 5.654 2.957 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.669 6.836 3.690 1.00 0.00 C ATOM 1193 C LYS A 76 -4.063 8.122 3.121 1.00 0.00 C ATOM 1194 O LYS A 76 -4.785 9.090 2.881 1.00 0.00 O ATOM 1195 CB LYS A 76 -4.349 6.606 5.180 1.00 0.00 C ATOM 1196 CG LYS A 76 -5.115 7.549 6.123 1.00 0.00 C ATOM 1197 CD LYS A 76 -5.114 7.034 7.573 1.00 0.00 C ATOM 1198 CE LYS A 76 -3.705 6.960 8.182 1.00 0.00 C ATOM 1199 NZ LYS A 76 -3.734 6.356 9.541 1.00 0.00 N ATOM 0 H LYS A 76 -3.677 5.018 3.555 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.745 6.971 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.586 5.574 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.279 6.737 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.664 8.541 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.143 7.654 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.735 7.688 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.569 6.044 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.057 6.370 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.277 7.961 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.768 6.320 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.334 6.933 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.120 5.392 9.484 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.760 8.102 2.828 1.00 0.00 N ATOM 1214 CA CYS A 77 -2.050 9.175 2.129 1.00 0.00 C ATOM 1215 C CYS A 77 -2.453 9.288 0.641 1.00 0.00 C ATOM 1216 O CYS A 77 -2.607 10.395 0.128 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.540 8.944 2.288 1.00 0.00 C ATOM 1218 SG CYS A 77 0.350 10.463 1.840 1.00 0.00 S ATOM 0 H CYS A 77 -2.155 7.319 3.077 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.330 10.128 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.310 8.664 3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.218 8.119 1.653 1.00 0.00 H new ATOM 0 HG CYS A 77 1.629 10.272 1.975 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.668 8.162 -0.052 1.00 0.00 N ATOM 1225 CA ALA A 78 -3.030 8.126 -1.476 1.00 0.00 C ATOM 1226 C ALA A 78 -4.388 8.789 -1.811 1.00 0.00 C ATOM 1227 O ALA A 78 -4.572 9.280 -2.927 1.00 0.00 O ATOM 1228 CB ALA A 78 -3.001 6.665 -1.950 1.00 0.00 C ATOM 0 H ALA A 78 -2.594 7.235 0.367 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.293 8.726 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.268 6.620 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.000 6.257 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.715 6.080 -1.370 1.00 0.00 H new ATOM 1234 N SER A 79 -5.336 8.818 -0.865 1.00 0.00 N ATOM 1235 CA SER A 79 -6.626 9.519 -1.007 1.00 0.00 C ATOM 1236 C SER A 79 -6.472 11.053 -0.993 1.00 0.00 C ATOM 1237 O SER A 79 -7.021 11.753 -1.850 1.00 0.00 O ATOM 1238 CB SER A 79 -7.577 9.063 0.107 1.00 0.00 C ATOM 1239 OG SER A 79 -8.877 9.595 -0.099 1.00 0.00 O ATOM 0 H SER A 79 -5.230 8.349 0.035 1.00 0.00 H new ATOM 0 HA SER A 79 -7.041 9.259 -1.981 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.623 7.974 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.194 9.387 1.075 1.00 0.00 H new ATOM 0 HG SER A 79 -9.472 9.293 0.619 1.00 0.00 H new ATOM 1245 N MET A 80 -5.710 11.579 -0.027 1.00 0.00 N ATOM 1246 CA MET A 80 -5.325 12.995 0.124 1.00 0.00 C ATOM 1247 C MET A 80 -4.154 13.410 -0.805 1.00 0.00 C ATOM 1248 O MET A 80 -3.753 12.664 -1.702 1.00 0.00 O ATOM 1249 CB MET A 80 -5.033 13.273 1.618 1.00 0.00 C ATOM 1250 CG MET A 80 -3.880 12.429 2.176 1.00 0.00 C ATOM 1251 SD MET A 80 -3.474 12.702 3.922 1.00 0.00 S ATOM 1252 CE MET A 80 -2.293 14.070 3.750 1.00 0.00 C ATOM 0 H MET A 80 -5.321 10.998 0.715 1.00 0.00 H new ATOM 0 HA MET A 80 -6.158 13.620 -0.198 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.796 14.329 1.745 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.933 13.076 2.200 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.127 11.376 2.040 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.989 12.627 1.580 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.937 14.369 4.736 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.448 13.747 3.141 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.784 14.916 3.269 1.00 0.00 H new ATOM 1262 N LYS A 81 -3.609 14.619 -0.594 1.00 0.00 N ATOM 1263 CA LYS A 81 -2.373 15.150 -1.203 1.00 0.00 C ATOM 1264 C LYS A 81 -1.231 15.198 -0.175 1.00 0.00 C ATOM 1265 O LYS A 81 -0.157 14.617 -0.455 1.00 0.00 O ATOM 1266 CB LYS A 81 -2.663 16.526 -1.834 1.00 0.00 C ATOM 1267 CG LYS A 81 -1.396 17.188 -2.402 1.00 0.00 C ATOM 1268 CD LYS A 81 -1.720 18.508 -3.120 1.00 0.00 C ATOM 1269 CE LYS A 81 -0.462 19.342 -3.410 1.00 0.00 C ATOM 1270 NZ LYS A 81 0.482 18.664 -4.339 1.00 0.00 N ATOM 1271 OXT LYS A 81 -1.414 15.818 0.897 1.00 0.00 O ATOM 0 H LYS A 81 -4.041 15.291 0.040 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.039 14.483 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.398 16.410 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.107 17.181 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.690 17.377 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.909 16.505 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.233 18.292 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.407 19.092 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.758 20.300 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.050 19.556 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.310 19.273 -4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.790 17.762 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.007 18.483 -5.246 1.00 0.00 H new TER 1285 LYS A 81