USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 48 THR OG1 : rot 180:sc= 0.66 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -128:sc= -0.562 (180deg=-2.92!) USER MOD Set 2.2: A 69 CYS SG : rot 40:sc= 0.48 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0583 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.632 USER MOD Single : A 8 MET CE :methyl -165:sc= -0.174 (180deg=-0.426) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 134:sc= -1.09 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.034) USER MOD Single : A 24 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.37) USER MOD Single : A 26 MET CE :methyl -119:sc= 0 (180deg=-0.0146) USER MOD Single : A 27 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 28 CYS SG : rot -17:sc= 0.293 USER MOD Single : A 33 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.49 K(o=-1.5,f=0.077) USER MOD Single : A 37 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.4) USER MOD Single : A 42 GLN : amide:sc= -0.0212 K(o=-0.021,f=-0.99) USER MOD Single : A 46 MET CE :methyl -134:sc= -0.279 (180deg=-1.3) USER MOD Single : A 57 TYR OH : rot 0:sc= -0.426 USER MOD Single : A 66 ASN : amide:sc= -4.19! C(o=-4.2!,f=-6.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.84) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -41:sc= 0.53 USER MOD Single : A 80 MET CE :methyl -148:sc= -3.41 (180deg=-6.57!) USER MOD Single : A 84 SER OG : rot 3:sc= 0.916 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.124 -2.265 -8.783 1.00 0.00 N ATOM 2 CA GLY A 1 -20.488 -1.099 -9.368 1.00 0.00 C ATOM 3 C GLY A 1 -21.482 -0.006 -9.708 1.00 0.00 C ATOM 4 O GLY A 1 -22.685 -0.253 -9.783 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.854 -2.342 -7.782 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.157 -2.171 -8.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.817 -3.119 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.745 -0.707 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.955 -1.395 -10.271 1.00 0.00 H new ATOM 8 N SER A 2 -20.978 1.207 -9.911 1.00 0.00 N ATOM 9 CA SER A 2 -21.831 2.344 -10.239 1.00 0.00 C ATOM 10 C SER A 2 -21.115 3.306 -11.182 1.00 0.00 C ATOM 11 O SER A 2 -19.888 3.299 -11.280 1.00 0.00 O ATOM 12 CB SER A 2 -22.249 3.079 -8.964 1.00 0.00 C ATOM 13 OG SER A 2 -21.123 3.622 -8.296 1.00 0.00 O ATOM 0 H SER A 2 -19.984 1.428 -9.854 1.00 0.00 H new ATOM 0 HA SER A 2 -22.722 1.966 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.948 3.877 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.774 2.392 -8.300 1.00 0.00 H new ATOM 0 HG SER A 2 -21.417 4.088 -7.485 1.00 0.00 H new ATOM 19 N SER A 3 -21.891 4.132 -11.876 1.00 0.00 N ATOM 20 CA SER A 3 -21.333 5.098 -12.815 1.00 0.00 C ATOM 21 C SER A 3 -20.359 6.038 -12.113 1.00 0.00 C ATOM 22 O SER A 3 -20.703 6.680 -11.121 1.00 0.00 O ATOM 23 CB SER A 3 -22.453 5.905 -13.474 1.00 0.00 C ATOM 24 OG SER A 3 -23.154 5.123 -14.426 1.00 0.00 O ATOM 0 H SER A 3 -22.908 4.152 -11.806 1.00 0.00 H new ATOM 0 HA SER A 3 -20.790 4.548 -13.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.145 6.262 -12.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.033 6.785 -13.960 1.00 0.00 H new ATOM 0 HG SER A 3 -23.865 5.661 -14.831 1.00 0.00 H new ATOM 30 N GLY A 4 -19.138 6.114 -12.635 1.00 0.00 N ATOM 31 CA GLY A 4 -18.132 6.977 -12.046 1.00 0.00 C ATOM 32 C GLY A 4 -16.721 6.538 -12.385 1.00 0.00 C ATOM 33 O GLY A 4 -16.235 5.533 -11.865 1.00 0.00 O ATOM 0 H GLY A 4 -18.828 5.593 -13.455 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.285 7.998 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.256 6.988 -10.963 1.00 0.00 H new ATOM 37 N SER A 5 -16.062 7.291 -13.259 1.00 0.00 N ATOM 38 CA SER A 5 -14.700 6.970 -13.671 1.00 0.00 C ATOM 39 C SER A 5 -13.852 6.561 -12.471 1.00 0.00 C ATOM 40 O SER A 5 -13.498 7.392 -11.634 1.00 0.00 O ATOM 41 CB SER A 5 -14.062 8.169 -14.376 1.00 0.00 C ATOM 42 OG SER A 5 -14.625 8.364 -15.661 1.00 0.00 O ATOM 0 H SER A 5 -16.449 8.128 -13.696 1.00 0.00 H new ATOM 0 HA SER A 5 -14.745 6.131 -14.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.203 9.066 -13.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.987 8.012 -14.467 1.00 0.00 H new ATOM 0 HG SER A 5 -14.202 9.137 -16.090 1.00 0.00 H new ATOM 48 N SER A 6 -13.529 5.274 -12.393 1.00 0.00 N ATOM 49 CA SER A 6 -12.726 4.752 -11.294 1.00 0.00 C ATOM 50 C SER A 6 -12.015 3.466 -11.704 1.00 0.00 C ATOM 51 O SER A 6 -12.652 2.442 -11.949 1.00 0.00 O ATOM 52 CB SER A 6 -13.605 4.494 -10.069 1.00 0.00 C ATOM 53 OG SER A 6 -13.870 5.698 -9.369 1.00 0.00 O ATOM 0 H SER A 6 -13.811 4.573 -13.078 1.00 0.00 H new ATOM 0 HA SER A 6 -11.973 5.498 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.544 4.037 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.110 3.785 -9.405 1.00 0.00 H new ATOM 0 HG SER A 6 -13.731 6.462 -9.967 1.00 0.00 H new ATOM 59 N GLY A 7 -10.689 3.526 -11.776 1.00 0.00 N ATOM 60 CA GLY A 7 -9.912 2.361 -12.156 1.00 0.00 C ATOM 61 C GLY A 7 -9.103 1.802 -11.003 1.00 0.00 C ATOM 62 O GLY A 7 -9.322 0.670 -10.573 1.00 0.00 O ATOM 0 H GLY A 7 -10.139 4.362 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.582 1.589 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.240 2.627 -12.972 1.00 0.00 H new ATOM 66 N MET A 8 -8.163 2.597 -10.501 1.00 0.00 N ATOM 67 CA MET A 8 -7.318 2.175 -9.391 1.00 0.00 C ATOM 68 C MET A 8 -8.162 1.663 -8.228 1.00 0.00 C ATOM 69 O MET A 8 -8.251 0.457 -7.997 1.00 0.00 O ATOM 70 CB MET A 8 -6.435 3.334 -8.924 1.00 0.00 C ATOM 71 CG MET A 8 -5.069 3.364 -9.590 1.00 0.00 C ATOM 72 SD MET A 8 -4.346 5.016 -9.616 1.00 0.00 S ATOM 73 CE MET A 8 -3.050 4.838 -8.392 1.00 0.00 C ATOM 0 H MET A 8 -7.968 3.537 -10.846 1.00 0.00 H new ATOM 0 HA MET A 8 -6.682 1.362 -9.741 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.948 4.275 -9.124 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.302 3.267 -7.844 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.397 2.686 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.159 2.995 -10.612 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.689 5.824 -8.098 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.444 4.320 -7.517 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.227 4.261 -8.815 1.00 0.00 H new ATOM 83 N ILE A 9 -8.780 2.587 -7.500 1.00 0.00 N ATOM 84 CA ILE A 9 -9.618 2.228 -6.363 1.00 0.00 C ATOM 85 C ILE A 9 -10.568 1.089 -6.717 1.00 0.00 C ATOM 86 O ILE A 9 -10.724 0.137 -5.953 1.00 0.00 O ATOM 87 CB ILE A 9 -10.441 3.432 -5.868 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.520 4.613 -5.554 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.256 3.049 -4.642 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.278 5.522 -6.739 1.00 0.00 C ATOM 0 H ILE A 9 -8.716 3.589 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.947 1.904 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.129 3.732 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.954 5.196 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.563 4.232 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.832 3.911 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.935 2.235 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.585 2.726 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.617 6.337 -6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.815 4.953 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.228 5.932 -7.083 1.00 0.00 H new ATOM 102 N ALA A 10 -11.198 1.192 -7.882 1.00 0.00 N ATOM 103 CA ALA A 10 -12.129 0.168 -8.340 1.00 0.00 C ATOM 104 C ALA A 10 -11.491 -1.216 -8.293 1.00 0.00 C ATOM 105 O ALA A 10 -11.964 -2.104 -7.585 1.00 0.00 O ATOM 106 CB ALA A 10 -12.608 0.483 -9.750 1.00 0.00 C ATOM 0 H ALA A 10 -11.081 1.974 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.987 0.166 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.303 -0.290 -10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.111 1.450 -9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.753 0.515 -10.426 1.00 0.00 H new ATOM 112 N ALA A 11 -10.413 -1.391 -9.051 1.00 0.00 N ATOM 113 CA ALA A 11 -9.709 -2.667 -9.094 1.00 0.00 C ATOM 114 C ALA A 11 -9.198 -3.058 -7.712 1.00 0.00 C ATOM 115 O ALA A 11 -9.613 -4.072 -7.150 1.00 0.00 O ATOM 116 CB ALA A 11 -8.558 -2.601 -10.087 1.00 0.00 C ATOM 0 H ALA A 11 -10.009 -0.666 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.413 -3.432 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.041 -3.560 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.947 -2.375 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.861 -1.820 -9.784 1.00 0.00 H new ATOM 122 N TYR A 12 -8.293 -2.250 -7.171 1.00 0.00 N ATOM 123 CA TYR A 12 -7.723 -2.514 -5.855 1.00 0.00 C ATOM 124 C TYR A 12 -8.798 -2.977 -4.877 1.00 0.00 C ATOM 125 O TYR A 12 -8.631 -3.979 -4.183 1.00 0.00 O ATOM 126 CB TYR A 12 -7.032 -1.261 -5.315 1.00 0.00 C ATOM 127 CG TYR A 12 -5.644 -1.045 -5.876 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.611 -1.927 -5.586 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.367 0.042 -6.697 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.342 -1.733 -6.096 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.101 0.243 -7.212 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.092 -0.647 -6.909 1.00 0.00 C ATOM 133 OH TYR A 12 -1.830 -0.451 -7.420 1.00 0.00 O ATOM 0 H TYR A 12 -7.938 -1.407 -7.623 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.987 -3.311 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.647 -0.390 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.969 -1.331 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.803 -2.779 -4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.155 0.741 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.550 -2.428 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.902 1.093 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.823 0.358 -7.973 1.00 0.00 H new ATOM 143 N GLU A 13 -9.903 -2.239 -4.830 1.00 0.00 N ATOM 144 CA GLU A 13 -11.007 -2.574 -3.938 1.00 0.00 C ATOM 145 C GLU A 13 -11.575 -3.951 -4.268 1.00 0.00 C ATOM 146 O GLU A 13 -11.792 -4.773 -3.380 1.00 0.00 O ATOM 147 CB GLU A 13 -12.109 -1.517 -4.036 1.00 0.00 C ATOM 148 CG GLU A 13 -13.085 -1.546 -2.872 1.00 0.00 C ATOM 149 CD GLU A 13 -13.726 -0.196 -2.614 1.00 0.00 C ATOM 150 OE1 GLU A 13 -12.980 0.789 -2.435 1.00 0.00 O ATOM 151 OE2 GLU A 13 -14.972 -0.125 -2.592 1.00 0.00 O ATOM 0 H GLU A 13 -10.057 -1.406 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.623 -2.595 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.650 -0.530 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.660 -1.664 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.864 -2.281 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.563 -1.874 -1.973 1.00 0.00 H new ATOM 158 N ASN A 14 -11.815 -4.193 -5.553 1.00 0.00 N ATOM 159 CA ASN A 14 -12.359 -5.469 -6.001 1.00 0.00 C ATOM 160 C ASN A 14 -11.462 -6.625 -5.570 1.00 0.00 C ATOM 161 O ASN A 14 -11.945 -7.677 -5.151 1.00 0.00 O ATOM 162 CB ASN A 14 -12.519 -5.473 -7.523 1.00 0.00 C ATOM 163 CG ASN A 14 -12.586 -6.877 -8.094 1.00 0.00 C ATOM 164 OD1 ASN A 14 -11.696 -7.302 -8.830 1.00 0.00 O ATOM 165 ND2 ASN A 14 -13.645 -7.602 -7.756 1.00 0.00 N ATOM 0 H ASN A 14 -11.641 -3.522 -6.302 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.337 -5.600 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.426 -4.931 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.683 -4.939 -7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.746 -8.553 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.358 -7.208 -7.143 1.00 0.00 H new ATOM 172 N SER A 15 -10.153 -6.422 -5.676 1.00 0.00 N ATOM 173 CA SER A 15 -9.187 -7.448 -5.300 1.00 0.00 C ATOM 174 C SER A 15 -9.234 -7.715 -3.798 1.00 0.00 C ATOM 175 O SER A 15 -9.938 -7.029 -3.056 1.00 0.00 O ATOM 176 CB SER A 15 -7.775 -7.025 -5.710 1.00 0.00 C ATOM 177 OG SER A 15 -6.895 -8.135 -5.728 1.00 0.00 O ATOM 0 H SER A 15 -9.737 -5.556 -6.019 1.00 0.00 H new ATOM 0 HA SER A 15 -9.449 -8.367 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.803 -6.563 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.402 -6.272 -5.016 1.00 0.00 H new ATOM 0 HG SER A 15 -6.364 -8.118 -6.552 1.00 0.00 H new ATOM 183 N LYS A 16 -8.480 -8.716 -3.357 1.00 0.00 N ATOM 184 CA LYS A 16 -8.433 -9.074 -1.945 1.00 0.00 C ATOM 185 C LYS A 16 -7.000 -9.356 -1.502 1.00 0.00 C ATOM 186 O LYS A 16 -6.164 -9.770 -2.304 1.00 0.00 O ATOM 187 CB LYS A 16 -9.310 -10.300 -1.679 1.00 0.00 C ATOM 188 CG LYS A 16 -9.026 -11.465 -2.611 1.00 0.00 C ATOM 189 CD LYS A 16 -9.788 -11.332 -3.919 1.00 0.00 C ATOM 190 CE LYS A 16 -11.185 -11.926 -3.813 1.00 0.00 C ATOM 191 NZ LYS A 16 -11.171 -13.406 -3.973 1.00 0.00 N ATOM 0 H LYS A 16 -7.893 -9.294 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.814 -8.230 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.162 -10.625 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.358 -10.015 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.957 -11.516 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.302 -12.399 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.859 -10.280 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.237 -11.834 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.616 -11.669 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.826 -11.484 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.141 -13.773 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.783 -13.651 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.579 -13.830 -3.230 1.00 0.00 H new ATOM 205 N TRP A 17 -6.726 -9.129 -0.223 1.00 0.00 N ATOM 206 CA TRP A 17 -5.395 -9.360 0.326 1.00 0.00 C ATOM 207 C TRP A 17 -4.767 -10.612 -0.277 1.00 0.00 C ATOM 208 O TRP A 17 -5.470 -11.551 -0.648 1.00 0.00 O ATOM 209 CB TRP A 17 -5.463 -9.491 1.848 1.00 0.00 C ATOM 210 CG TRP A 17 -4.117 -9.618 2.495 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.389 -8.619 3.075 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.338 -10.812 2.625 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.205 -9.120 3.558 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.150 -10.463 3.295 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.530 -12.143 2.243 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.159 -11.397 3.589 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.546 -13.068 2.534 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.373 -12.692 3.203 1.00 0.00 C ATOM 0 H TRP A 17 -7.408 -8.785 0.454 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.771 -8.504 0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.974 -8.620 2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.065 -10.363 2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.699 -7.587 3.144 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.484 -8.580 4.035 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.432 -12.443 1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.254 -11.109 4.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.683 -14.098 2.241 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.623 -13.439 3.418 1.00 0.00 H new ATOM 229 N GLU A 18 -3.441 -10.618 -0.371 1.00 0.00 N ATOM 230 CA GLU A 18 -2.720 -11.756 -0.930 1.00 0.00 C ATOM 231 C GLU A 18 -1.358 -11.919 -0.261 1.00 0.00 C ATOM 232 O GLU A 18 -0.688 -10.946 0.086 1.00 0.00 O ATOM 233 CB GLU A 18 -2.542 -11.583 -2.440 1.00 0.00 C ATOM 234 CG GLU A 18 -1.659 -10.406 -2.818 1.00 0.00 C ATOM 235 CD GLU A 18 -2.027 -9.809 -4.162 1.00 0.00 C ATOM 236 OE1 GLU A 18 -2.183 -10.580 -5.132 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.159 -8.570 -4.244 1.00 0.00 O ATOM 0 H GLU A 18 -2.844 -9.848 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.308 -12.654 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.113 -12.496 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.522 -11.454 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.736 -9.637 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.618 -10.730 -2.841 1.00 0.00 H new ATOM 244 N PRO A 19 -0.938 -13.179 -0.075 1.00 0.00 N ATOM 245 CA PRO A 19 0.347 -13.501 0.553 1.00 0.00 C ATOM 246 C PRO A 19 1.533 -13.132 -0.332 1.00 0.00 C ATOM 247 O PRO A 19 1.886 -13.869 -1.253 1.00 0.00 O ATOM 248 CB PRO A 19 0.276 -15.017 0.749 1.00 0.00 C ATOM 249 CG PRO A 19 -0.677 -15.490 -0.294 1.00 0.00 C ATOM 250 CD PRO A 19 -1.685 -14.387 -0.464 1.00 0.00 C ATOM 0 HA PRO A 19 0.500 -12.945 1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.256 -15.478 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.074 -15.271 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.160 -15.694 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.161 -16.418 0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.043 -14.325 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.559 -14.540 0.169 1.00 0.00 H new ATOM 258 N VAL A 20 2.144 -11.987 -0.047 1.00 0.00 N ATOM 259 CA VAL A 20 3.292 -11.521 -0.816 1.00 0.00 C ATOM 260 C VAL A 20 4.387 -10.986 0.100 1.00 0.00 C ATOM 261 O VAL A 20 4.110 -10.287 1.075 1.00 0.00 O ATOM 262 CB VAL A 20 2.889 -10.420 -1.814 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.207 -9.268 -1.092 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.105 -9.930 -2.587 1.00 0.00 C ATOM 0 H VAL A 20 1.863 -11.365 0.711 1.00 0.00 H new ATOM 0 HA VAL A 20 3.673 -12.380 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 20 2.180 -10.842 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.929 -8.500 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.312 -9.633 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.890 -8.845 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.802 -9.152 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.840 -9.525 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.546 -10.762 -3.137 1.00 0.00 H new ATOM 274 N LYS A 21 5.633 -11.318 -0.220 1.00 0.00 N ATOM 275 CA LYS A 21 6.772 -10.870 0.572 1.00 0.00 C ATOM 276 C LYS A 21 7.164 -9.442 0.203 1.00 0.00 C ATOM 277 O LYS A 21 7.664 -9.190 -0.893 1.00 0.00 O ATOM 278 CB LYS A 21 7.965 -11.807 0.364 1.00 0.00 C ATOM 279 CG LYS A 21 9.202 -11.398 1.144 1.00 0.00 C ATOM 280 CD LYS A 21 10.258 -12.491 1.126 1.00 0.00 C ATOM 281 CE LYS A 21 9.893 -13.634 2.062 1.00 0.00 C ATOM 282 NZ LYS A 21 10.120 -13.276 3.489 1.00 0.00 N ATOM 0 H LYS A 21 5.880 -11.896 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 21 6.481 -10.889 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.678 -12.817 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.210 -11.840 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.616 -10.484 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.926 -11.174 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.371 -12.872 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.221 -12.073 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.847 -13.902 1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.485 -14.513 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.974 -14.116 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.094 -12.931 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.451 -12.531 3.771 1.00 0.00 H new ATOM 296 N TRP A 22 6.935 -8.514 1.125 1.00 0.00 N ATOM 297 CA TRP A 22 7.265 -7.112 0.897 1.00 0.00 C ATOM 298 C TRP A 22 8.762 -6.872 1.063 1.00 0.00 C ATOM 299 O TRP A 22 9.300 -6.994 2.163 1.00 0.00 O ATOM 300 CB TRP A 22 6.482 -6.219 1.860 1.00 0.00 C ATOM 301 CG TRP A 22 5.010 -6.191 1.581 1.00 0.00 C ATOM 302 CD1 TRP A 22 4.010 -6.610 2.411 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.373 -5.721 0.388 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.790 -6.429 1.806 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.985 -5.884 0.565 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.839 -5.177 -0.812 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.063 -5.523 -0.414 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.923 -4.819 -1.782 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.547 -4.993 -1.578 1.00 0.00 C ATOM 0 H TRP A 22 6.522 -8.707 2.038 1.00 0.00 H new ATOM 0 HA TRP A 22 6.987 -6.860 -0.126 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.644 -6.567 2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.875 -5.204 1.803 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.157 -7.023 3.398 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.885 -6.663 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.897 -5.039 -0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.003 -5.657 -0.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.273 -4.398 -2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.856 -4.703 -2.355 1.00 0.00 H new ATOM 320 N GLU A 23 9.427 -6.529 -0.035 1.00 0.00 N ATOM 321 CA GLU A 23 10.863 -6.272 -0.009 1.00 0.00 C ATOM 322 C GLU A 23 11.146 -4.773 0.037 1.00 0.00 C ATOM 323 O GLU A 23 10.286 -3.958 -0.291 1.00 0.00 O ATOM 324 CB GLU A 23 11.537 -6.892 -1.234 1.00 0.00 C ATOM 325 CG GLU A 23 11.366 -8.399 -1.325 1.00 0.00 C ATOM 326 CD GLU A 23 11.678 -8.939 -2.707 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.613 -8.156 -3.678 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.987 -10.144 -2.818 1.00 0.00 O ATOM 0 H GLU A 23 8.996 -6.423 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 23 11.272 -6.730 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.128 -6.433 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.601 -6.656 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.018 -8.880 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.342 -8.661 -1.059 1.00 0.00 H new ATOM 335 N ASN A 24 12.360 -4.419 0.448 1.00 0.00 N ATOM 336 CA ASN A 24 12.757 -3.018 0.538 1.00 0.00 C ATOM 337 C ASN A 24 12.797 -2.374 -0.844 1.00 0.00 C ATOM 338 O ASN A 24 13.083 -3.036 -1.842 1.00 0.00 O ATOM 339 CB ASN A 24 14.128 -2.898 1.208 1.00 0.00 C ATOM 340 CG ASN A 24 14.796 -1.567 0.922 1.00 0.00 C ATOM 341 OD1 ASN A 24 15.737 -1.490 0.133 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.311 -0.512 1.566 1.00 0.00 N ATOM 0 H ASN A 24 13.085 -5.082 0.724 1.00 0.00 H new ATOM 0 HA ASN A 24 12.016 -2.494 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.015 -3.021 2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.771 -3.706 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.720 0.410 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.529 -0.624 2.211 1.00 0.00 H new ATOM 349 N ASP A 25 12.508 -1.078 -0.895 1.00 0.00 N ATOM 350 CA ASP A 25 12.511 -0.343 -2.154 1.00 0.00 C ATOM 351 C ASP A 25 11.536 -0.964 -3.149 1.00 0.00 C ATOM 352 O ASP A 25 11.893 -1.234 -4.296 1.00 0.00 O ATOM 353 CB ASP A 25 13.920 -0.316 -2.750 1.00 0.00 C ATOM 354 CG ASP A 25 14.110 0.818 -3.737 1.00 0.00 C ATOM 355 OD1 ASP A 25 13.850 0.607 -4.940 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.518 1.918 -3.307 1.00 0.00 O ATOM 0 H ASP A 25 12.269 -0.515 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 25 12.191 0.679 -1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.650 -0.220 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.119 -1.265 -3.249 1.00 0.00 H new ATOM 361 N MET A 26 10.305 -1.190 -2.702 1.00 0.00 N ATOM 362 CA MET A 26 9.279 -1.779 -3.554 1.00 0.00 C ATOM 363 C MET A 26 8.112 -0.816 -3.745 1.00 0.00 C ATOM 364 O MET A 26 8.044 0.229 -3.098 1.00 0.00 O ATOM 365 CB MET A 26 8.778 -3.093 -2.950 1.00 0.00 C ATOM 366 CG MET A 26 9.661 -4.287 -3.276 1.00 0.00 C ATOM 367 SD MET A 26 9.181 -5.107 -4.809 1.00 0.00 S ATOM 368 CE MET A 26 7.771 -6.062 -4.254 1.00 0.00 C ATOM 0 H MET A 26 9.994 -0.974 -1.755 1.00 0.00 H new ATOM 0 HA MET A 26 9.723 -1.981 -4.529 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.713 -2.984 -1.867 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.769 -3.288 -3.312 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.697 -3.957 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.615 -5.003 -2.455 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.969 -7.123 -4.404 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.597 -5.872 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.888 -5.773 -4.825 1.00 0.00 H new ATOM 378 N HIS A 27 7.194 -1.175 -4.637 1.00 0.00 N ATOM 379 CA HIS A 27 6.029 -0.342 -4.913 1.00 0.00 C ATOM 380 C HIS A 27 4.742 -1.062 -4.521 1.00 0.00 C ATOM 381 O HIS A 27 4.571 -2.247 -4.807 1.00 0.00 O ATOM 382 CB HIS A 27 5.985 0.036 -6.394 1.00 0.00 C ATOM 383 CG HIS A 27 6.770 1.269 -6.721 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.479 2.085 -7.793 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.842 1.824 -6.108 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.338 3.088 -7.827 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.175 2.953 -6.815 1.00 0.00 N ATOM 0 H HIS A 27 7.234 -2.037 -5.181 1.00 0.00 H new ATOM 0 HA HIS A 27 6.113 0.566 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.368 -0.796 -6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.947 0.186 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.342 1.449 -5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.353 3.883 -8.558 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.944 3.585 -6.594 1.00 0.00 H new ATOM 395 N CYS A 28 3.841 -0.338 -3.866 1.00 0.00 N ATOM 396 CA CYS A 28 2.570 -0.908 -3.433 1.00 0.00 C ATOM 397 C CYS A 28 1.536 0.188 -3.195 1.00 0.00 C ATOM 398 O CYS A 28 1.881 1.362 -3.060 1.00 0.00 O ATOM 399 CB CYS A 28 2.764 -1.730 -2.158 1.00 0.00 C ATOM 400 SG CYS A 28 3.460 -0.795 -0.776 1.00 0.00 S ATOM 0 H CYS A 28 3.967 0.645 -3.623 1.00 0.00 H new ATOM 0 HA CYS A 28 2.204 -1.561 -4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.802 -2.143 -1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.418 -2.573 -2.378 1.00 0.00 H new ATOM 0 HG CYS A 28 4.002 0.299 -1.222 1.00 0.00 H new ATOM 406 N ALA A 29 0.267 -0.204 -3.145 1.00 0.00 N ATOM 407 CA ALA A 29 -0.817 0.745 -2.922 1.00 0.00 C ATOM 408 C ALA A 29 -1.493 0.500 -1.578 1.00 0.00 C ATOM 409 O ALA A 29 -2.105 -0.546 -1.360 1.00 0.00 O ATOM 410 CB ALA A 29 -1.834 0.658 -4.050 1.00 0.00 C ATOM 0 H ALA A 29 -0.036 -1.172 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.391 1.748 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.638 1.372 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.347 0.890 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.246 -0.350 -4.091 1.00 0.00 H new ATOM 416 N VAL A 30 -1.378 1.471 -0.677 1.00 0.00 N ATOM 417 CA VAL A 30 -1.979 1.361 0.647 1.00 0.00 C ATOM 418 C VAL A 30 -3.397 1.921 0.655 1.00 0.00 C ATOM 419 O VAL A 30 -3.747 2.767 -0.168 1.00 0.00 O ATOM 420 CB VAL A 30 -1.140 2.101 1.707 1.00 0.00 C ATOM 421 CG1 VAL A 30 -1.029 3.579 1.364 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.742 1.909 3.090 1.00 0.00 C ATOM 0 H VAL A 30 -0.874 2.343 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.009 0.300 0.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.135 1.678 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.433 4.085 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.549 3.692 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.025 4.021 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.137 2.438 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.758 2.304 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.763 0.847 3.333 1.00 0.00 H new ATOM 432 N LYS A 31 -4.209 1.445 1.592 1.00 0.00 N ATOM 433 CA LYS A 31 -5.590 1.898 1.710 1.00 0.00 C ATOM 434 C LYS A 31 -5.802 2.661 3.014 1.00 0.00 C ATOM 435 O LYS A 31 -5.539 2.140 4.098 1.00 0.00 O ATOM 436 CB LYS A 31 -6.547 0.706 1.643 1.00 0.00 C ATOM 437 CG LYS A 31 -8.013 1.097 1.730 1.00 0.00 C ATOM 438 CD LYS A 31 -8.921 -0.115 1.610 1.00 0.00 C ATOM 439 CE LYS A 31 -8.988 -0.893 2.916 1.00 0.00 C ATOM 440 NZ LYS A 31 -7.817 -1.797 3.084 1.00 0.00 N ATOM 0 H LYS A 31 -3.935 0.745 2.281 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.798 2.570 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.378 0.167 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.314 0.018 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.201 1.601 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.248 1.809 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.923 0.206 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.557 -0.766 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.031 -0.195 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.906 -1.480 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.149 -2.759 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.259 -1.809 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.223 -1.455 3.866 1.00 0.00 H new ATOM 454 N ILE A 32 -6.280 3.896 2.900 1.00 0.00 N ATOM 455 CA ILE A 32 -6.529 4.728 4.070 1.00 0.00 C ATOM 456 C ILE A 32 -7.749 4.239 4.843 1.00 0.00 C ATOM 457 O ILE A 32 -8.752 3.841 4.252 1.00 0.00 O ATOM 458 CB ILE A 32 -6.742 6.202 3.678 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.506 6.744 2.956 1.00 0.00 C ATOM 460 CG2 ILE A 32 -7.052 7.039 4.909 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.758 8.039 2.215 1.00 0.00 C ATOM 0 H ILE A 32 -6.502 4.342 2.010 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.645 4.653 4.704 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.592 6.262 2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.710 6.900 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.150 5.994 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.200 8.078 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.958 6.664 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.221 6.975 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.839 8.364 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.532 7.883 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.085 8.804 2.920 1.00 0.00 H new ATOM 473 N GLN A 33 -7.656 4.273 6.169 1.00 0.00 N ATOM 474 CA GLN A 33 -8.753 3.833 7.023 1.00 0.00 C ATOM 475 C GLN A 33 -9.819 4.917 7.140 1.00 0.00 C ATOM 476 O GLN A 33 -11.006 4.658 6.940 1.00 0.00 O ATOM 477 CB GLN A 33 -8.229 3.465 8.412 1.00 0.00 C ATOM 478 CG GLN A 33 -7.784 2.016 8.530 1.00 0.00 C ATOM 479 CD GLN A 33 -8.928 1.079 8.866 1.00 0.00 C ATOM 480 OE1 GLN A 33 -9.321 0.244 8.051 1.00 0.00 O ATOM 481 NE2 GLN A 33 -9.470 1.214 10.070 1.00 0.00 N ATOM 0 H GLN A 33 -6.833 4.600 6.675 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.205 2.952 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.390 4.115 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.009 3.658 9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.327 1.703 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.017 1.937 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.113 1.920 10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.244 0.612 10.351 1.00 0.00 H new ATOM 490 N ASP A 34 -9.389 6.131 7.465 1.00 0.00 N ATOM 491 CA ASP A 34 -10.307 7.255 7.608 1.00 0.00 C ATOM 492 C ASP A 34 -11.033 7.534 6.296 1.00 0.00 C ATOM 493 O ASP A 34 -12.260 7.634 6.262 1.00 0.00 O ATOM 494 CB ASP A 34 -9.551 8.504 8.062 1.00 0.00 C ATOM 495 CG ASP A 34 -9.123 8.426 9.515 1.00 0.00 C ATOM 496 OD1 ASP A 34 -8.270 7.573 9.836 1.00 0.00 O ATOM 497 OD2 ASP A 34 -9.641 9.218 10.330 1.00 0.00 O ATOM 0 H ASP A 34 -8.410 6.362 7.634 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.048 6.993 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.671 8.641 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.184 9.380 7.919 1.00 0.00 H new ATOM 502 N LYS A 35 -10.268 7.659 5.217 1.00 0.00 N ATOM 503 CA LYS A 35 -10.837 7.926 3.902 1.00 0.00 C ATOM 504 C LYS A 35 -11.041 6.630 3.124 1.00 0.00 C ATOM 505 O LYS A 35 -10.721 5.546 3.610 1.00 0.00 O ATOM 506 CB LYS A 35 -9.927 8.870 3.112 1.00 0.00 C ATOM 507 CG LYS A 35 -10.054 10.326 3.526 1.00 0.00 C ATOM 508 CD LYS A 35 -9.547 10.549 4.941 1.00 0.00 C ATOM 509 CE LYS A 35 -9.465 12.030 5.276 1.00 0.00 C ATOM 510 NZ LYS A 35 -10.815 12.645 5.408 1.00 0.00 N ATOM 0 H LYS A 35 -9.251 7.580 5.228 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.808 8.401 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.892 8.554 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.159 8.781 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.491 10.953 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.097 10.635 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.209 10.051 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.562 10.095 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.913 12.162 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.905 12.548 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.716 13.655 5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.332 12.542 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.341 12.168 6.168 1.00 0.00 H new ATOM 524 N ASN A 36 -11.574 6.750 1.912 1.00 0.00 N ATOM 525 CA ASN A 36 -11.819 5.587 1.066 1.00 0.00 C ATOM 526 C ASN A 36 -11.018 5.678 -0.229 1.00 0.00 C ATOM 527 O ASN A 36 -11.508 5.319 -1.299 1.00 0.00 O ATOM 528 CB ASN A 36 -13.311 5.467 0.749 1.00 0.00 C ATOM 529 CG ASN A 36 -13.684 4.090 0.234 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.078 3.584 -0.711 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.685 3.478 0.855 1.00 0.00 N ATOM 0 H ASN A 36 -11.844 7.640 1.494 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.497 4.699 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.889 5.685 1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.583 6.216 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.981 2.550 0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.158 3.936 1.634 1.00 0.00 H new ATOM 538 N GLN A 37 -9.784 6.159 -0.122 1.00 0.00 N ATOM 539 CA GLN A 37 -8.915 6.297 -1.285 1.00 0.00 C ATOM 540 C GLN A 37 -7.720 5.354 -1.186 1.00 0.00 C ATOM 541 O GLN A 37 -7.594 4.595 -0.225 1.00 0.00 O ATOM 542 CB GLN A 37 -8.430 7.742 -1.418 1.00 0.00 C ATOM 543 CG GLN A 37 -7.577 8.207 -0.249 1.00 0.00 C ATOM 544 CD GLN A 37 -6.603 9.301 -0.638 1.00 0.00 C ATOM 545 OE1 GLN A 37 -5.942 9.221 -1.674 1.00 0.00 O ATOM 546 NE2 GLN A 37 -6.508 10.333 0.193 1.00 0.00 N ATOM 0 H GLN A 37 -9.363 6.460 0.757 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.492 6.032 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.855 7.840 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.294 8.400 -1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.226 8.570 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.023 7.358 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.075 10.359 1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.869 11.100 -0.017 1.00 0.00 H new ATOM 555 N TRP A 38 -6.846 5.408 -2.185 1.00 0.00 N ATOM 556 CA TRP A 38 -5.661 4.559 -2.210 1.00 0.00 C ATOM 557 C TRP A 38 -4.410 5.378 -2.506 1.00 0.00 C ATOM 558 O TRP A 38 -4.269 5.942 -3.592 1.00 0.00 O ATOM 559 CB TRP A 38 -5.822 3.455 -3.257 1.00 0.00 C ATOM 560 CG TRP A 38 -6.753 2.361 -2.828 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.114 2.353 -2.938 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.391 1.117 -2.220 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.620 1.179 -2.435 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.583 0.403 -1.989 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.175 0.535 -1.849 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.593 -0.860 -1.403 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.187 -0.719 -1.268 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.388 -1.405 -1.051 1.00 0.00 C ATOM 0 H TRP A 38 -6.936 6.031 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.550 4.104 -1.226 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.191 3.894 -4.184 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.844 3.026 -3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.706 3.152 -3.359 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.608 0.926 -2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.243 1.056 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.518 -1.390 -1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.254 -1.178 -0.976 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.363 -2.384 -0.596 1.00 0.00 H new ATOM 579 N ARG A 39 -3.504 5.440 -1.536 1.00 0.00 N ATOM 580 CA ARG A 39 -2.265 6.192 -1.693 1.00 0.00 C ATOM 581 C ARG A 39 -1.087 5.253 -1.934 1.00 0.00 C ATOM 582 O ARG A 39 -1.006 4.178 -1.340 1.00 0.00 O ATOM 583 CB ARG A 39 -2.003 7.049 -0.454 1.00 0.00 C ATOM 584 CG ARG A 39 -2.921 8.256 -0.343 1.00 0.00 C ATOM 585 CD ARG A 39 -2.335 9.467 -1.052 1.00 0.00 C ATOM 586 NE ARG A 39 -3.220 10.627 -0.977 1.00 0.00 N ATOM 587 CZ ARG A 39 -3.192 11.631 -1.846 1.00 0.00 C ATOM 588 NH1 ARG A 39 -2.327 11.618 -2.851 1.00 0.00 N ATOM 589 NH2 ARG A 39 -4.029 12.651 -1.710 1.00 0.00 N ATOM 0 H ARG A 39 -3.605 4.978 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.372 6.843 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.120 6.431 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.968 7.391 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.893 8.016 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.087 8.493 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.372 9.717 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.149 9.220 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.897 10.668 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.681 10.836 -2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.307 12.390 -3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.695 12.665 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.007 13.422 -2.378 1.00 0.00 H new ATOM 603 N ARG A 40 -0.176 5.667 -2.808 1.00 0.00 N ATOM 604 CA ARG A 40 0.997 4.863 -3.128 1.00 0.00 C ATOM 605 C ARG A 40 2.036 4.948 -2.013 1.00 0.00 C ATOM 606 O ARG A 40 2.175 5.980 -1.358 1.00 0.00 O ATOM 607 CB ARG A 40 1.614 5.326 -4.450 1.00 0.00 C ATOM 608 CG ARG A 40 0.803 4.928 -5.672 1.00 0.00 C ATOM 609 CD ARG A 40 1.396 5.507 -6.947 1.00 0.00 C ATOM 610 NE ARG A 40 0.392 5.665 -7.996 1.00 0.00 N ATOM 611 CZ ARG A 40 0.675 6.069 -9.229 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.926 6.353 -9.567 1.00 0.00 N ATOM 613 NH2 ARG A 40 -0.293 6.188 -10.128 1.00 0.00 N ATOM 0 H ARG A 40 -0.228 6.555 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 40 0.679 3.825 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.720 6.411 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.617 4.909 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.766 3.841 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.224 5.275 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.848 6.475 -6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.194 4.856 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.580 5.453 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.674 6.261 -8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.140 6.663 -10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.256 5.969 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.074 6.498 -11.075 1.00 0.00 H new ATOM 627 N GLY A 41 2.763 3.855 -1.804 1.00 0.00 N ATOM 628 CA GLY A 41 3.778 3.826 -0.767 1.00 0.00 C ATOM 629 C GLY A 41 4.982 2.993 -1.158 1.00 0.00 C ATOM 630 O GLY A 41 4.867 2.061 -1.954 1.00 0.00 O ATOM 0 H GLY A 41 2.667 2.989 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.100 4.844 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.345 3.426 0.150 1.00 0.00 H new ATOM 634 N GLN A 42 6.140 3.329 -0.599 1.00 0.00 N ATOM 635 CA GLN A 42 7.370 2.606 -0.896 1.00 0.00 C ATOM 636 C GLN A 42 7.879 1.867 0.337 1.00 0.00 C ATOM 637 O GLN A 42 8.215 2.484 1.348 1.00 0.00 O ATOM 638 CB GLN A 42 8.443 3.570 -1.406 1.00 0.00 C ATOM 639 CG GLN A 42 9.600 2.877 -2.107 1.00 0.00 C ATOM 640 CD GLN A 42 10.660 3.850 -2.586 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.513 5.065 -2.445 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.736 3.321 -3.155 1.00 0.00 N ATOM 0 H GLN A 42 6.252 4.098 0.062 1.00 0.00 H new ATOM 0 HA GLN A 42 7.152 1.873 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.984 4.280 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.831 4.146 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.054 2.158 -1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.219 2.313 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.816 2.309 -3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.483 3.927 -3.496 1.00 0.00 H new ATOM 651 N ILE A 43 7.932 0.542 0.246 1.00 0.00 N ATOM 652 CA ILE A 43 8.400 -0.281 1.355 1.00 0.00 C ATOM 653 C ILE A 43 9.663 0.304 1.978 1.00 0.00 C ATOM 654 O ILE A 43 10.777 -0.014 1.562 1.00 0.00 O ATOM 655 CB ILE A 43 8.685 -1.725 0.902 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.446 -2.329 0.240 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.127 -2.573 2.086 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.205 -2.259 1.102 1.00 0.00 C ATOM 0 H ILE A 43 7.657 0.016 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 43 7.603 -0.293 2.099 1.00 0.00 H new ATOM 0 HB ILE A 43 9.492 -1.708 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.256 -1.809 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.648 -3.371 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.325 -3.591 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.034 -2.150 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.339 -2.586 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.366 -2.706 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.376 -2.803 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.978 -1.217 1.329 1.00 0.00 H new ATOM 670 N ILE A 44 9.481 1.158 2.979 1.00 0.00 N ATOM 671 CA ILE A 44 10.606 1.785 3.663 1.00 0.00 C ATOM 672 C ILE A 44 11.358 0.775 4.522 1.00 0.00 C ATOM 673 O ILE A 44 12.515 0.454 4.252 1.00 0.00 O ATOM 674 CB ILE A 44 10.144 2.955 4.551 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.601 4.096 3.687 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.291 3.444 5.422 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.218 5.325 4.481 1.00 0.00 C ATOM 0 H ILE A 44 8.565 1.432 3.335 1.00 0.00 H new ATOM 0 HA ILE A 44 11.272 2.168 2.890 1.00 0.00 H new ATOM 0 HB ILE A 44 9.343 2.604 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.353 4.371 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.729 3.742 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.949 4.271 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.637 2.630 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.111 3.782 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.842 6.092 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.443 5.065 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.093 5.704 5.009 1.00 0.00 H new ATOM 689 N ARG A 45 10.692 0.276 5.559 1.00 0.00 N ATOM 690 CA ARG A 45 11.298 -0.698 6.459 1.00 0.00 C ATOM 691 C ARG A 45 10.227 -1.517 7.174 1.00 0.00 C ATOM 692 O ARG A 45 9.364 -0.966 7.856 1.00 0.00 O ATOM 693 CB ARG A 45 12.187 0.007 7.485 1.00 0.00 C ATOM 694 CG ARG A 45 11.423 0.550 8.681 1.00 0.00 C ATOM 695 CD ARG A 45 12.281 1.494 9.509 1.00 0.00 C ATOM 696 NE ARG A 45 11.688 1.771 10.814 1.00 0.00 N ATOM 697 CZ ARG A 45 12.290 2.486 11.758 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.495 2.994 11.542 1.00 0.00 N ATOM 699 NH2 ARG A 45 11.685 2.695 12.921 1.00 0.00 N ATOM 0 H ARG A 45 9.733 0.530 5.796 1.00 0.00 H new ATOM 0 HA ARG A 45 11.910 -1.374 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.946 -0.692 7.836 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.711 0.828 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.531 1.074 8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.085 -0.278 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.271 1.058 9.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.417 2.430 8.967 1.00 0.00 H new ATOM 0 HE ARG A 45 10.761 1.395 11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.962 2.836 10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.955 3.543 12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.757 2.306 13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.148 3.244 13.645 1.00 0.00 H new ATOM 713 N MET A 46 10.290 -2.834 7.012 1.00 0.00 N ATOM 714 CA MET A 46 9.326 -3.728 7.643 1.00 0.00 C ATOM 715 C MET A 46 9.493 -3.724 9.160 1.00 0.00 C ATOM 716 O MET A 46 10.504 -4.191 9.684 1.00 0.00 O ATOM 717 CB MET A 46 9.488 -5.151 7.104 1.00 0.00 C ATOM 718 CG MET A 46 8.755 -5.392 5.795 1.00 0.00 C ATOM 719 SD MET A 46 8.399 -7.136 5.509 1.00 0.00 S ATOM 720 CE MET A 46 7.127 -7.428 6.736 1.00 0.00 C ATOM 0 H MET A 46 10.998 -3.306 6.450 1.00 0.00 H new ATOM 0 HA MET A 46 8.325 -3.369 7.404 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.549 -5.358 6.960 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.124 -5.857 7.850 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.821 -4.830 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.356 -5.008 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.341 -8.355 7.269 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.107 -6.599 7.444 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.158 -7.508 6.243 1.00 0.00 H new ATOM 730 N VAL A 47 8.494 -3.194 9.859 1.00 0.00 N ATOM 731 CA VAL A 47 8.531 -3.131 11.315 1.00 0.00 C ATOM 732 C VAL A 47 8.259 -4.498 11.932 1.00 0.00 C ATOM 733 O VAL A 47 9.134 -5.094 12.561 1.00 0.00 O ATOM 734 CB VAL A 47 7.502 -2.121 11.859 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.651 -1.966 13.365 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.653 -0.779 11.158 1.00 0.00 C ATOM 0 H VAL A 47 7.650 -2.803 9.441 1.00 0.00 H new ATOM 0 HA VAL A 47 9.533 -2.804 11.592 1.00 0.00 H new ATOM 0 HB VAL A 47 6.501 -2.501 11.655 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.916 -1.249 13.731 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.490 -2.930 13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.654 -1.608 13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.919 -0.077 11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.657 -0.390 11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.492 -0.907 10.088 1.00 0.00 H new ATOM 746 N THR A 48 7.038 -4.993 11.747 1.00 0.00 N ATOM 747 CA THR A 48 6.650 -6.290 12.286 1.00 0.00 C ATOM 748 C THR A 48 6.045 -7.176 11.203 1.00 0.00 C ATOM 749 O THR A 48 5.996 -6.797 10.033 1.00 0.00 O ATOM 750 CB THR A 48 5.637 -6.140 13.436 1.00 0.00 C ATOM 751 OG1 THR A 48 4.403 -5.611 12.937 1.00 0.00 O ATOM 752 CG2 THR A 48 6.183 -5.227 14.523 1.00 0.00 C ATOM 0 H THR A 48 6.302 -4.515 11.228 1.00 0.00 H new ATOM 0 HA THR A 48 7.557 -6.757 12.670 1.00 0.00 H new ATOM 0 HB THR A 48 5.461 -7.126 13.866 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.764 -5.520 13.674 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.450 -5.136 15.324 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.106 -5.648 14.922 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.385 -4.242 14.103 1.00 0.00 H new ATOM 760 N ASP A 49 5.583 -8.357 11.600 1.00 0.00 N ATOM 761 CA ASP A 49 4.979 -9.296 10.663 1.00 0.00 C ATOM 762 C ASP A 49 3.607 -8.805 10.210 1.00 0.00 C ATOM 763 O ASP A 49 3.000 -9.376 9.304 1.00 0.00 O ATOM 764 CB ASP A 49 4.853 -10.679 11.304 1.00 0.00 C ATOM 765 CG ASP A 49 3.883 -10.691 12.469 1.00 0.00 C ATOM 766 OD1 ASP A 49 4.213 -10.108 13.523 1.00 0.00 O ATOM 767 OD2 ASP A 49 2.793 -11.283 12.327 1.00 0.00 O ATOM 0 H ASP A 49 5.616 -8.686 12.565 1.00 0.00 H new ATOM 0 HA ASP A 49 5.627 -9.367 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.522 -11.396 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.834 -11.007 11.648 1.00 0.00 H new ATOM 772 N THR A 50 3.124 -7.743 10.848 1.00 0.00 N ATOM 773 CA THR A 50 1.824 -7.177 10.512 1.00 0.00 C ATOM 774 C THR A 50 1.942 -5.697 10.166 1.00 0.00 C ATOM 775 O THR A 50 1.070 -5.132 9.503 1.00 0.00 O ATOM 776 CB THR A 50 0.823 -7.343 11.671 1.00 0.00 C ATOM 777 OG1 THR A 50 1.363 -6.778 12.870 1.00 0.00 O ATOM 778 CG2 THR A 50 0.497 -8.812 11.898 1.00 0.00 C ATOM 0 H THR A 50 3.614 -7.258 11.600 1.00 0.00 H new ATOM 0 HA THR A 50 1.456 -7.723 9.643 1.00 0.00 H new ATOM 0 HB THR A 50 -0.096 -6.820 11.406 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.720 -6.886 13.601 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.212 -8.904 12.721 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.058 -9.231 10.993 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.411 -9.354 12.143 1.00 0.00 H new ATOM 786 N LEU A 51 3.024 -5.073 10.617 1.00 0.00 N ATOM 787 CA LEU A 51 3.257 -3.657 10.354 1.00 0.00 C ATOM 788 C LEU A 51 4.409 -3.468 9.373 1.00 0.00 C ATOM 789 O LEU A 51 5.327 -4.286 9.311 1.00 0.00 O ATOM 790 CB LEU A 51 3.557 -2.918 11.660 1.00 0.00 C ATOM 791 CG LEU A 51 2.475 -2.992 12.737 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.912 -2.242 13.986 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.160 -2.435 12.211 1.00 0.00 C ATOM 0 H LEU A 51 3.754 -5.525 11.167 1.00 0.00 H new ATOM 0 HA LEU A 51 2.353 -3.242 9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.483 -3.317 12.075 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.738 -1.869 11.427 1.00 0.00 H new ATOM 0 HG LEU A 51 2.324 -4.039 13.001 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.129 -2.306 14.741 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.828 -2.686 14.375 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.092 -1.196 13.738 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.401 -2.496 12.991 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.297 -1.394 11.918 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.839 -3.016 11.346 1.00 0.00 H new ATOM 805 N VAL A 52 4.355 -2.382 8.608 1.00 0.00 N ATOM 806 CA VAL A 52 5.396 -2.082 7.631 1.00 0.00 C ATOM 807 C VAL A 52 5.455 -0.589 7.332 1.00 0.00 C ATOM 808 O VAL A 52 4.430 0.044 7.080 1.00 0.00 O ATOM 809 CB VAL A 52 5.168 -2.850 6.316 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.083 -2.319 5.222 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.385 -4.341 6.525 1.00 0.00 C ATOM 0 H VAL A 52 3.602 -1.695 8.646 1.00 0.00 H new ATOM 0 HA VAL A 52 6.343 -2.399 8.069 1.00 0.00 H new ATOM 0 HB VAL A 52 4.136 -2.697 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.908 -2.874 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.875 -1.262 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.123 -2.440 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.220 -4.868 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.406 -4.516 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.685 -4.709 7.275 1.00 0.00 H new ATOM 821 N GLU A 53 6.662 -0.032 7.360 1.00 0.00 N ATOM 822 CA GLU A 53 6.854 1.388 7.091 1.00 0.00 C ATOM 823 C GLU A 53 6.960 1.649 5.592 1.00 0.00 C ATOM 824 O GLU A 53 7.789 1.053 4.904 1.00 0.00 O ATOM 825 CB GLU A 53 8.111 1.899 7.799 1.00 0.00 C ATOM 826 CG GLU A 53 8.059 3.378 8.140 1.00 0.00 C ATOM 827 CD GLU A 53 9.075 3.770 9.195 1.00 0.00 C ATOM 828 OE1 GLU A 53 8.862 3.432 10.378 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.083 4.415 8.837 1.00 0.00 O ATOM 0 H GLU A 53 7.521 -0.542 7.566 1.00 0.00 H new ATOM 0 HA GLU A 53 5.986 1.924 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.259 1.328 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.977 1.711 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.236 3.962 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.059 3.631 8.492 1.00 0.00 H new ATOM 836 N VAL A 54 6.115 2.544 5.091 1.00 0.00 N ATOM 837 CA VAL A 54 6.113 2.884 3.673 1.00 0.00 C ATOM 838 C VAL A 54 6.234 4.390 3.470 1.00 0.00 C ATOM 839 O VAL A 54 5.893 5.177 4.354 1.00 0.00 O ATOM 840 CB VAL A 54 4.833 2.385 2.977 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.910 0.886 2.728 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.606 2.734 3.806 1.00 0.00 C ATOM 0 H VAL A 54 5.423 3.047 5.646 1.00 0.00 H new ATOM 0 HA VAL A 54 6.976 2.389 3.228 1.00 0.00 H new ATOM 0 HB VAL A 54 4.746 2.885 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.997 0.552 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.767 0.667 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.021 0.365 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.710 2.374 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.683 2.263 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.544 3.815 3.927 1.00 0.00 H new ATOM 852 N LEU A 55 6.722 4.786 2.299 1.00 0.00 N ATOM 853 CA LEU A 55 6.888 6.200 1.978 1.00 0.00 C ATOM 854 C LEU A 55 5.930 6.622 0.869 1.00 0.00 C ATOM 855 O LEU A 55 5.970 6.086 -0.239 1.00 0.00 O ATOM 856 CB LEU A 55 8.331 6.480 1.555 1.00 0.00 C ATOM 857 CG LEU A 55 8.548 7.725 0.694 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.166 8.980 1.464 1.00 0.00 C ATOM 859 CD2 LEU A 55 9.994 7.804 0.225 1.00 0.00 C ATOM 0 H LEU A 55 7.009 4.148 1.557 1.00 0.00 H new ATOM 0 HA LEU A 55 6.658 6.780 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.940 6.574 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.702 5.614 1.007 1.00 0.00 H new ATOM 0 HG LEU A 55 7.906 7.653 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.327 9.856 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.115 8.926 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.782 9.059 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.130 8.696 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.655 7.853 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.234 6.920 -0.365 1.00 0.00 H new ATOM 871 N LEU A 56 5.071 7.589 1.174 1.00 0.00 N ATOM 872 CA LEU A 56 4.103 8.086 0.203 1.00 0.00 C ATOM 873 C LEU A 56 4.771 9.017 -0.804 1.00 0.00 C ATOM 874 O LEU A 56 4.281 10.115 -1.070 1.00 0.00 O ATOM 875 CB LEU A 56 2.966 8.819 0.916 1.00 0.00 C ATOM 876 CG LEU A 56 2.287 8.059 2.056 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.116 8.857 2.608 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.825 6.688 1.582 1.00 0.00 C ATOM 0 H LEU A 56 5.025 8.044 2.086 1.00 0.00 H new ATOM 0 HA LEU A 56 3.694 7.231 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.357 9.756 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.208 9.078 0.177 1.00 0.00 H new ATOM 0 HG LEU A 56 3.013 7.919 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.646 8.300 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.474 9.814 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.388 9.029 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.344 6.161 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.115 6.806 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.685 6.114 1.237 1.00 0.00 H new ATOM 890 N TYR A 57 5.892 8.571 -1.361 1.00 0.00 N ATOM 891 CA TYR A 57 6.628 9.365 -2.338 1.00 0.00 C ATOM 892 C TYR A 57 5.675 10.190 -3.199 1.00 0.00 C ATOM 893 O TYR A 57 5.975 11.328 -3.559 1.00 0.00 O ATOM 894 CB TYR A 57 7.478 8.456 -3.227 1.00 0.00 C ATOM 895 CG TYR A 57 6.685 7.372 -3.920 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.468 6.143 -3.307 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.153 7.574 -5.187 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.744 5.149 -3.936 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.427 6.586 -5.823 1.00 0.00 C ATOM 900 CZ TYR A 57 5.225 5.375 -5.194 1.00 0.00 C ATOM 901 OH TYR A 57 4.503 4.388 -5.825 1.00 0.00 O ATOM 0 H TYR A 57 6.311 7.664 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 57 7.282 10.048 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.980 9.064 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.256 7.993 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.873 5.962 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.310 8.520 -5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.585 4.200 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.020 6.761 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 57 4.455 3.598 -5.247 1.00 0.00 H new ATOM 911 N ASP A 58 4.526 9.607 -3.523 1.00 0.00 N ATOM 912 CA ASP A 58 3.528 10.287 -4.339 1.00 0.00 C ATOM 913 C ASP A 58 3.257 11.692 -3.809 1.00 0.00 C ATOM 914 O ASP A 58 3.383 12.676 -4.538 1.00 0.00 O ATOM 915 CB ASP A 58 2.228 9.481 -4.370 1.00 0.00 C ATOM 916 CG ASP A 58 1.768 9.071 -2.984 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.631 8.715 -2.154 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.546 9.107 -2.730 1.00 0.00 O ATOM 0 H ASP A 58 4.263 8.665 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 58 3.920 10.370 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.448 10.073 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.371 8.590 -4.981 1.00 0.00 H new ATOM 923 N VAL A 59 2.885 11.777 -2.536 1.00 0.00 N ATOM 924 CA VAL A 59 2.597 13.061 -1.908 1.00 0.00 C ATOM 925 C VAL A 59 3.819 13.599 -1.173 1.00 0.00 C ATOM 926 O VAL A 59 4.137 14.784 -1.260 1.00 0.00 O ATOM 927 CB VAL A 59 1.423 12.950 -0.917 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.156 12.514 -1.637 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.765 11.986 0.208 1.00 0.00 C ATOM 0 H VAL A 59 2.776 10.972 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 59 2.324 13.750 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 59 1.244 13.933 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.663 12.441 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.097 13.246 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.318 11.542 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.924 11.920 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.971 11.000 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.645 12.346 0.741 1.00 0.00 H new ATOM 939 N GLY A 60 4.502 12.719 -0.447 1.00 0.00 N ATOM 940 CA GLY A 60 5.682 13.125 0.294 1.00 0.00 C ATOM 941 C GLY A 60 5.473 13.071 1.794 1.00 0.00 C ATOM 942 O GLY A 60 5.718 14.050 2.499 1.00 0.00 O ATOM 0 H GLY A 60 4.259 11.732 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.517 12.479 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.957 14.139 0.005 1.00 0.00 H new ATOM 946 N VAL A 61 5.015 11.923 2.285 1.00 0.00 N ATOM 947 CA VAL A 61 4.771 11.745 3.712 1.00 0.00 C ATOM 948 C VAL A 61 5.222 10.365 4.178 1.00 0.00 C ATOM 949 O VAL A 61 4.808 9.347 3.625 1.00 0.00 O ATOM 950 CB VAL A 61 3.281 11.929 4.054 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.990 11.429 5.461 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.876 13.388 3.903 1.00 0.00 C ATOM 0 H VAL A 61 4.806 11.103 1.716 1.00 0.00 H new ATOM 0 HA VAL A 61 5.351 12.508 4.230 1.00 0.00 H new ATOM 0 HB VAL A 61 2.690 11.337 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.932 11.567 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.240 10.370 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.589 11.991 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.820 13.500 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.472 14.003 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.045 13.708 2.875 1.00 0.00 H new ATOM 962 N GLU A 62 6.073 10.341 5.199 1.00 0.00 N ATOM 963 CA GLU A 62 6.580 9.085 5.740 1.00 0.00 C ATOM 964 C GLU A 62 5.653 8.547 6.827 1.00 0.00 C ATOM 965 O GLU A 62 5.413 9.208 7.837 1.00 0.00 O ATOM 966 CB GLU A 62 7.988 9.279 6.306 1.00 0.00 C ATOM 967 CG GLU A 62 8.988 9.798 5.286 1.00 0.00 C ATOM 968 CD GLU A 62 10.251 10.337 5.928 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.137 11.144 6.875 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.353 9.952 5.485 1.00 0.00 O ATOM 0 H GLU A 62 6.425 11.176 5.668 1.00 0.00 H new ATOM 0 HA GLU A 62 6.619 8.359 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.941 9.975 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.346 8.328 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.250 8.994 4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.522 10.585 4.694 1.00 0.00 H new ATOM 977 N LEU A 63 5.136 7.343 6.611 1.00 0.00 N ATOM 978 CA LEU A 63 4.234 6.714 7.571 1.00 0.00 C ATOM 979 C LEU A 63 4.333 5.194 7.495 1.00 0.00 C ATOM 980 O LEU A 63 5.036 4.648 6.645 1.00 0.00 O ATOM 981 CB LEU A 63 2.793 7.157 7.312 1.00 0.00 C ATOM 982 CG LEU A 63 1.968 6.254 6.393 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.553 6.792 6.247 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.636 6.127 5.032 1.00 0.00 C ATOM 0 H LEU A 63 5.325 6.782 5.780 1.00 0.00 H new ATOM 0 HA LEU A 63 4.530 7.029 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.279 7.233 8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.814 8.158 6.882 1.00 0.00 H new ATOM 0 HG LEU A 63 1.913 5.262 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.019 6.137 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.076 6.831 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.587 7.794 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.036 5.481 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.722 7.113 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.630 5.696 5.153 1.00 0.00 H new ATOM 996 N VAL A 64 3.621 4.515 8.389 1.00 0.00 N ATOM 997 CA VAL A 64 3.626 3.057 8.422 1.00 0.00 C ATOM 998 C VAL A 64 2.209 2.506 8.535 1.00 0.00 C ATOM 999 O VAL A 64 1.433 2.928 9.393 1.00 0.00 O ATOM 1000 CB VAL A 64 4.467 2.525 9.597 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.027 3.167 10.904 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.369 1.009 9.678 1.00 0.00 C ATOM 0 H VAL A 64 3.034 4.951 9.100 1.00 0.00 H new ATOM 0 HA VAL A 64 4.071 2.720 7.485 1.00 0.00 H new ATOM 0 HB VAL A 64 5.510 2.790 9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.633 2.778 11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.154 4.248 10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.978 2.936 11.088 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.969 0.650 10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.329 0.719 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.738 0.570 8.751 1.00 0.00 H new ATOM 1012 N VAL A 65 1.877 1.558 7.664 1.00 0.00 N ATOM 1013 CA VAL A 65 0.553 0.947 7.666 1.00 0.00 C ATOM 1014 C VAL A 65 0.646 -0.562 7.861 1.00 0.00 C ATOM 1015 O VAL A 65 1.737 -1.128 7.893 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.203 1.239 6.357 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.179 2.729 6.047 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.392 0.438 5.208 1.00 0.00 C ATOM 0 H VAL A 65 2.507 1.197 6.948 1.00 0.00 H new ATOM 0 HA VAL A 65 0.003 1.386 8.499 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.242 0.935 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.718 2.916 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.655 3.277 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.853 3.062 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.155 0.657 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.440 0.709 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.317 -0.627 5.430 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.509 -1.209 7.989 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.559 -2.653 8.181 1.00 0.00 C ATOM 1030 C ASN A 66 -0.555 -3.380 6.840 1.00 0.00 C ATOM 1031 O ASN A 66 -1.244 -2.979 5.902 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.805 -3.040 8.980 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.593 -4.290 9.812 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.010 -4.237 10.895 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.067 -5.424 9.308 1.00 0.00 N ATOM 0 H ASN A 66 -1.422 -0.755 7.963 1.00 0.00 H new ATOM 0 HA ASN A 66 0.329 -2.951 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.085 -2.214 9.634 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.638 -3.200 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.954 -6.297 9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.544 -5.421 8.406 1.00 0.00 H new ATOM 1042 N VAL A 67 0.226 -4.453 6.756 1.00 0.00 N ATOM 1043 CA VAL A 67 0.319 -5.237 5.530 1.00 0.00 C ATOM 1044 C VAL A 67 -1.062 -5.668 5.048 1.00 0.00 C ATOM 1045 O VAL A 67 -1.327 -5.706 3.847 1.00 0.00 O ATOM 1046 CB VAL A 67 1.195 -6.489 5.730 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.652 -6.096 5.916 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.698 -7.303 6.915 1.00 0.00 C ATOM 0 H VAL A 67 0.803 -4.799 7.523 1.00 0.00 H new ATOM 0 HA VAL A 67 0.780 -4.596 4.778 1.00 0.00 H new ATOM 0 HB VAL A 67 1.122 -7.109 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.256 -6.993 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.999 -5.559 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.747 -5.455 6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.328 -8.183 7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.740 -6.694 7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.331 -7.616 6.736 1.00 0.00 H new ATOM 1058 N ASP A 68 -1.938 -5.993 5.993 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.293 -6.420 5.665 1.00 0.00 C ATOM 1060 C ASP A 68 -3.992 -5.385 4.790 1.00 0.00 C ATOM 1061 O ASP A 68 -4.995 -5.683 4.140 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.100 -6.654 6.943 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.781 -5.393 7.437 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -5.694 -4.900 6.742 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -4.402 -4.900 8.520 1.00 0.00 O ATOM 0 H ASP A 68 -1.734 -5.969 6.992 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.228 -7.355 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.852 -7.421 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.439 -7.035 7.722 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.458 -4.169 4.779 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.032 -3.088 3.985 1.00 0.00 C ATOM 1072 C CYS A 69 -3.210 -2.845 2.723 1.00 0.00 C ATOM 1073 O CYS A 69 -3.713 -2.308 1.735 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.110 -1.805 4.813 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.597 -1.673 5.832 1.00 0.00 S ATOM 0 H CYS A 69 -2.628 -3.907 5.311 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.039 -3.382 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.234 -1.748 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.066 -0.948 4.141 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.871 -2.832 6.352 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.943 -3.242 2.763 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.049 -3.066 1.623 1.00 0.00 C ATOM 1083 C LEU A 70 -1.510 -3.904 0.436 1.00 0.00 C ATOM 1084 O LEU A 70 -2.305 -4.831 0.589 1.00 0.00 O ATOM 1085 CB LEU A 70 0.381 -3.448 2.008 1.00 0.00 C ATOM 1086 CG LEU A 70 1.097 -2.493 2.965 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.524 -2.957 3.213 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.083 -1.075 2.413 1.00 0.00 C ATOM 0 H LEU A 70 -1.511 -3.688 3.572 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.072 -2.016 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.361 -4.439 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.973 -3.528 1.096 1.00 0.00 H new ATOM 0 HG LEU A 70 0.565 -2.496 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.018 -2.266 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.511 -3.954 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.067 -2.984 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.597 -0.409 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.590 -1.055 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.052 -0.743 2.288 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.003 -3.573 -0.748 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.362 -4.297 -1.962 1.00 0.00 C ATOM 1102 C ARG A 71 -0.302 -4.104 -3.042 1.00 0.00 C ATOM 1103 O ARG A 71 0.282 -3.028 -3.170 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.723 -3.826 -2.477 1.00 0.00 C ATOM 1105 CG ARG A 71 -3.900 -4.409 -1.711 1.00 0.00 C ATOM 1106 CD ARG A 71 -5.135 -4.526 -2.590 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.846 -5.203 -3.852 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.834 -6.524 -3.991 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -5.095 -7.306 -2.953 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -4.563 -7.066 -5.172 1.00 0.00 N ATOM 0 H ARG A 71 -0.343 -2.809 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.420 -5.358 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.767 -2.738 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.816 -4.095 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.633 -5.393 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.123 -3.779 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.911 -5.073 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.530 -3.531 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.642 -4.630 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.306 -6.894 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.085 -8.320 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.364 -6.468 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.554 -8.080 -5.278 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.059 -5.155 -3.819 1.00 0.00 N ATOM 1125 CA LYS A 72 0.929 -5.103 -4.889 1.00 0.00 C ATOM 1126 C LYS A 72 0.496 -4.132 -5.983 1.00 0.00 C ATOM 1127 O LYS A 72 -0.610 -4.235 -6.516 1.00 0.00 O ATOM 1128 CB LYS A 72 1.141 -6.497 -5.484 1.00 0.00 C ATOM 1129 CG LYS A 72 1.989 -7.407 -4.614 1.00 0.00 C ATOM 1130 CD LYS A 72 1.621 -8.868 -4.810 1.00 0.00 C ATOM 1131 CE LYS A 72 2.108 -9.391 -6.152 1.00 0.00 C ATOM 1132 NZ LYS A 72 1.856 -10.851 -6.304 1.00 0.00 N ATOM 0 H LYS A 72 -0.534 -6.053 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 72 1.869 -4.749 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.170 -6.965 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.614 -6.398 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.043 -7.261 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.859 -7.135 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.055 -9.464 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.539 -8.984 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.607 -8.851 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.175 -9.194 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.202 -11.168 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.354 -11.369 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.835 -11.036 -6.234 1.00 0.00 H new ATOM 1146 N LEU A 73 1.373 -3.191 -6.315 1.00 0.00 N ATOM 1147 CA LEU A 73 1.082 -2.202 -7.347 1.00 0.00 C ATOM 1148 C LEU A 73 0.943 -2.867 -8.713 1.00 0.00 C ATOM 1149 O LEU A 73 1.933 -3.274 -9.319 1.00 0.00 O ATOM 1150 CB LEU A 73 2.184 -1.143 -7.392 1.00 0.00 C ATOM 1151 CG LEU A 73 1.791 0.210 -7.986 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.235 1.126 -6.907 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.984 0.857 -8.674 1.00 0.00 C ATOM 0 H LEU A 73 2.292 -3.092 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 73 0.136 -1.721 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.545 -0.980 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.019 -1.541 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 73 1.012 0.045 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.961 2.084 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.353 0.667 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.992 1.284 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.686 1.819 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.784 1.008 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.338 0.208 -9.475 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.293 -2.969 -9.192 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.561 -3.583 -10.488 1.00 0.00 C ATOM 1167 C GLU A 74 0.194 -2.858 -11.599 1.00 0.00 C ATOM 1168 O GLU A 74 0.371 -1.641 -11.551 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.062 -3.569 -10.783 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.876 -4.437 -9.838 1.00 0.00 C ATOM 1171 CD GLU A 74 -2.762 -5.915 -10.158 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.646 -6.364 -10.492 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -3.788 -6.621 -10.074 1.00 0.00 O ATOM 0 H GLU A 74 -1.124 -2.635 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.215 -4.616 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.426 -2.543 -10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.226 -3.908 -11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.543 -4.264 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.923 -4.138 -9.887 1.00 0.00 H new ATOM 1180 N GLU A 75 0.635 -3.616 -12.598 1.00 0.00 N ATOM 1181 CA GLU A 75 1.371 -3.046 -13.720 1.00 0.00 C ATOM 1182 C GLU A 75 0.457 -2.190 -14.593 1.00 0.00 C ATOM 1183 O GLU A 75 0.831 -1.098 -15.017 1.00 0.00 O ATOM 1184 CB GLU A 75 2.003 -4.157 -14.561 1.00 0.00 C ATOM 1185 CG GLU A 75 0.988 -5.093 -15.195 1.00 0.00 C ATOM 1186 CD GLU A 75 1.621 -6.361 -15.734 1.00 0.00 C ATOM 1187 OE1 GLU A 75 2.700 -6.744 -15.237 1.00 0.00 O ATOM 1188 OE2 GLU A 75 1.035 -6.971 -16.653 1.00 0.00 O ATOM 0 H GLU A 75 0.496 -4.625 -12.653 1.00 0.00 H new ATOM 0 HA GLU A 75 2.160 -2.410 -13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.609 -3.706 -15.347 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.677 -4.738 -13.932 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.230 -5.355 -14.457 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.477 -4.574 -16.006 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.743 -2.696 -14.857 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.711 -1.980 -15.679 1.00 0.00 C ATOM 1197 C ASN A 76 -2.015 -0.606 -15.089 1.00 0.00 C ATOM 1198 O ASN A 76 -1.912 0.413 -15.774 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.002 -2.790 -15.806 1.00 0.00 C ATOM 1200 CG ASN A 76 -2.748 -4.220 -16.243 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -1.817 -4.492 -17.001 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -3.576 -5.141 -15.764 1.00 0.00 N ATOM 0 H ASN A 76 -1.068 -3.600 -14.513 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.278 -1.843 -16.670 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.521 -2.793 -14.848 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.662 -2.305 -16.525 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.454 -6.120 -16.022 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.334 -4.869 -15.138 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.389 -0.586 -13.815 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.707 0.663 -13.131 1.00 0.00 C ATOM 1211 C LEU A 77 -1.449 1.492 -12.897 1.00 0.00 C ATOM 1212 O LEU A 77 -1.524 2.665 -12.530 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.398 0.375 -11.796 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.627 -0.531 -11.859 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -5.000 -1.022 -10.468 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.798 0.201 -12.500 1.00 0.00 C ATOM 0 H LEU A 77 -2.480 -1.420 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.383 1.235 -13.767 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.670 -0.080 -11.124 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.694 1.325 -11.350 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.385 -1.397 -12.475 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.877 -1.666 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.167 -1.584 -10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.223 -0.168 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.664 -0.460 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.041 1.085 -11.911 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.529 0.502 -13.512 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.292 0.876 -13.113 1.00 0.00 N ATOM 1229 CA LYS A 78 0.984 1.557 -12.930 1.00 0.00 C ATOM 1230 C LYS A 78 1.389 2.304 -14.196 1.00 0.00 C ATOM 1231 O LYS A 78 1.991 3.377 -14.132 1.00 0.00 O ATOM 1232 CB LYS A 78 2.073 0.550 -12.549 1.00 0.00 C ATOM 1233 CG LYS A 78 3.472 1.141 -12.544 1.00 0.00 C ATOM 1234 CD LYS A 78 4.529 0.071 -12.759 1.00 0.00 C ATOM 1235 CE LYS A 78 5.917 0.678 -12.900 1.00 0.00 C ATOM 1236 NZ LYS A 78 6.863 -0.251 -13.578 1.00 0.00 N ATOM 0 H LYS A 78 -0.212 -0.095 -13.415 1.00 0.00 H new ATOM 0 HA LYS A 78 0.868 2.281 -12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.854 0.147 -11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.043 -0.286 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.552 1.896 -13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.652 1.646 -11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.519 -0.625 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.290 -0.504 -13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.851 1.607 -13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.303 0.933 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.797 0.200 -13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.946 -1.127 -13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.508 -0.475 -14.529 1.00 0.00 H new ATOM 1250 N THR A 79 1.054 1.732 -15.349 1.00 0.00 N ATOM 1251 CA THR A 79 1.382 2.344 -16.630 1.00 0.00 C ATOM 1252 C THR A 79 0.567 3.612 -16.858 1.00 0.00 C ATOM 1253 O THR A 79 1.120 4.707 -16.958 1.00 0.00 O ATOM 1254 CB THR A 79 1.134 1.371 -17.798 1.00 0.00 C ATOM 1255 OG1 THR A 79 -0.227 0.927 -17.784 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.066 0.171 -17.709 1.00 0.00 C ATOM 0 H THR A 79 0.555 0.845 -15.421 1.00 0.00 H new ATOM 0 HA THR A 79 2.442 2.597 -16.597 1.00 0.00 H new ATOM 0 HB THR A 79 1.334 1.898 -18.731 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.504 0.750 -16.861 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.873 -0.502 -18.544 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.101 0.510 -17.749 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.893 -0.356 -16.771 1.00 0.00 H new ATOM 1264 N MET A 80 -0.750 3.457 -16.940 1.00 0.00 N ATOM 1265 CA MET A 80 -1.641 4.591 -17.154 1.00 0.00 C ATOM 1266 C MET A 80 -1.351 5.707 -16.155 1.00 0.00 C ATOM 1267 O MET A 80 -0.549 5.539 -15.238 1.00 0.00 O ATOM 1268 CB MET A 80 -3.101 4.150 -17.034 1.00 0.00 C ATOM 1269 CG MET A 80 -3.440 3.531 -15.688 1.00 0.00 C ATOM 1270 SD MET A 80 -5.049 2.716 -15.683 1.00 0.00 S ATOM 1271 CE MET A 80 -4.594 1.067 -16.213 1.00 0.00 C ATOM 0 H MET A 80 -1.224 2.557 -16.862 1.00 0.00 H new ATOM 0 HA MET A 80 -1.466 4.973 -18.160 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.747 5.012 -17.202 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.320 3.429 -17.822 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.670 2.807 -15.421 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.428 4.307 -14.922 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.411 0.631 -16.788 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.700 1.118 -16.835 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.394 0.446 -15.340 1.00 0.00 H new ATOM 1281 N GLY A 81 -2.010 6.847 -16.341 1.00 0.00 N ATOM 1282 CA GLY A 81 -1.809 7.974 -15.448 1.00 0.00 C ATOM 1283 C GLY A 81 -1.392 9.230 -16.186 1.00 0.00 C ATOM 1284 O GLY A 81 -1.781 10.336 -15.810 1.00 0.00 O ATOM 0 H GLY A 81 -2.679 7.010 -17.093 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.731 8.168 -14.899 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.047 7.719 -14.712 1.00 0.00 H new ATOM 1288 N ARG A 82 -0.598 9.061 -17.238 1.00 0.00 N ATOM 1289 CA ARG A 82 -0.126 10.192 -18.028 1.00 0.00 C ATOM 1290 C ARG A 82 0.422 11.295 -17.127 1.00 0.00 C ATOM 1291 O ARG A 82 0.176 12.479 -17.358 1.00 0.00 O ATOM 1292 CB ARG A 82 -1.259 10.744 -18.896 1.00 0.00 C ATOM 1293 CG ARG A 82 -1.550 9.900 -20.126 1.00 0.00 C ATOM 1294 CD ARG A 82 -3.000 10.036 -20.565 1.00 0.00 C ATOM 1295 NE ARG A 82 -3.410 8.946 -21.446 1.00 0.00 N ATOM 1296 CZ ARG A 82 -3.077 8.874 -22.730 1.00 0.00 C ATOM 1297 NH1 ARG A 82 -2.332 9.824 -23.279 1.00 0.00 N ATOM 1298 NH2 ARG A 82 -3.488 7.851 -23.467 1.00 0.00 N ATOM 0 H ARG A 82 -0.268 8.152 -17.563 1.00 0.00 H new ATOM 0 HA ARG A 82 0.679 9.840 -18.673 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.164 10.817 -18.293 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.004 11.755 -19.212 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.892 10.203 -20.941 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.330 8.854 -19.911 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.645 10.054 -19.686 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.135 10.988 -21.079 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.983 8.199 -21.054 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.013 10.612 -22.715 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.078 9.767 -24.265 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.061 7.118 -23.048 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.232 7.797 -24.453 1.00 0.00 H new ATOM 1312 N LEU A 83 1.164 10.897 -16.100 1.00 0.00 N ATOM 1313 CA LEU A 83 1.747 11.851 -15.163 1.00 0.00 C ATOM 1314 C LEU A 83 2.145 13.140 -15.875 1.00 0.00 C ATOM 1315 O LEU A 83 2.564 13.118 -17.032 1.00 0.00 O ATOM 1316 CB LEU A 83 2.968 11.238 -14.473 1.00 0.00 C ATOM 1317 CG LEU A 83 2.749 9.882 -13.803 1.00 0.00 C ATOM 1318 CD1 LEU A 83 2.969 8.753 -14.797 1.00 0.00 C ATOM 1319 CD2 LEU A 83 3.671 9.725 -12.602 1.00 0.00 C ATOM 0 H LEU A 83 1.376 9.921 -15.895 1.00 0.00 H new ATOM 0 HA LEU A 83 0.995 12.090 -14.411 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.763 11.132 -15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.325 11.940 -13.719 1.00 0.00 H new ATOM 0 HG LEU A 83 1.718 9.834 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.809 7.796 -14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.267 8.855 -15.625 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.989 8.798 -15.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.501 8.754 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.709 9.795 -12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.464 10.514 -11.879 1.00 0.00 H new ATOM 1331 N SER A 84 2.013 14.262 -15.174 1.00 0.00 N ATOM 1332 CA SER A 84 2.358 15.561 -15.740 1.00 0.00 C ATOM 1333 C SER A 84 2.490 16.614 -14.643 1.00 0.00 C ATOM 1334 O SER A 84 1.518 16.942 -13.961 1.00 0.00 O ATOM 1335 CB SER A 84 1.298 15.996 -16.755 1.00 0.00 C ATOM 1336 OG SER A 84 0.146 16.502 -16.104 1.00 0.00 O ATOM 0 H SER A 84 1.670 14.298 -14.214 1.00 0.00 H new ATOM 0 HA SER A 84 3.319 15.466 -16.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.712 16.759 -17.414 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.022 15.149 -17.383 1.00 0.00 H new ATOM 0 HG SER A 84 0.291 16.502 -15.135 1.00 0.00 H new ATOM 1342 N LEU A 85 3.699 17.138 -14.478 1.00 0.00 N ATOM 1343 CA LEU A 85 3.961 18.154 -13.464 1.00 0.00 C ATOM 1344 C LEU A 85 3.459 19.520 -13.920 1.00 0.00 C ATOM 1345 O LEU A 85 3.672 19.921 -15.065 1.00 0.00 O ATOM 1346 CB LEU A 85 5.458 18.224 -13.158 1.00 0.00 C ATOM 1347 CG LEU A 85 5.955 17.319 -12.031 1.00 0.00 C ATOM 1348 CD1 LEU A 85 7.462 17.133 -12.121 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.566 17.892 -10.676 1.00 0.00 C ATOM 0 H LEU A 85 4.514 16.876 -15.033 1.00 0.00 H new ATOM 0 HA LEU A 85 3.424 17.874 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.006 17.974 -14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.710 19.255 -12.907 1.00 0.00 H new ATOM 0 HG LEU A 85 5.482 16.343 -12.139 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.798 16.486 -11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.716 16.677 -13.078 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.954 18.102 -12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.928 17.235 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.010 18.880 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.481 17.972 -10.613 1.00 0.00 H new TER 1361 LEU A 85