USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 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 89 CYS SG : rot 169:sc= 0.0164 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -127:sc= 0.0152 (180deg=0) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.551 USER MOD Set 2.2: A 95 GLN : amide:sc= 0.587 X(o=1.1,f=0.9) USER MOD Set 3.1: A 84 GLN : amide:sc= 1.95 K(o=2.9,f=-6.7!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -174:sc= 0.951 (180deg=0) USER MOD Set 4.1: A 65 ASN : amide:sc= 0.512 K(o=0.93,f=-1.3) USER MOD Set 4.2: A 81 GLN : amide:sc= 0.422 K(o=0.93,f=-1.7) USER MOD Set 5.1: A 31 GLN : amide:sc= 1.09 K(o=1.7,f=1.2) USER MOD Set 5.2: A 41 THR OG1 : rot 128:sc= 0.638 USER MOD Set 5.3: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 27 HIS : no HE2:sc= 0.794 K(o=1.4,f=-4.6!) USER MOD Set 6.2: A 106 HIS : no HE2:sc= 0.622 K(o=1.4,f=-4.5!) USER MOD Set 7.1: A 22 THR OG1 : rot 130:sc= 0.603 USER MOD Set 7.2: A 24 ASN : amide:sc= 0.676 K(o=1.3,f=0) USER MOD Single : A 1 MET CE :methyl -123:sc= 0 (180deg=-0.00494) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0969 X(o=-0.097,f=-0.097) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 20 THR OG1 : rot -44:sc= 0.117 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00277 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0165 X(o=-0.017,f=-0.49) USER MOD Single : A 34 ASN : amide:sc= -0.0344 K(o=-0.034,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0.522 (180deg=0.476) USER MOD Single : A 38 THR OG1 : rot 130:sc= 0.631 USER MOD Single : A 40 THR OG1 : rot 68:sc= 2.07 USER MOD Single : A 43 GLN : amide:sc= 2.04 K(o=2,f=-5.6!) USER MOD Single : A 49 TYR OH : rot -37:sc= 0.0508 USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.899) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.619 (180deg=0.61) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.736 (180deg=0.717) USER MOD Single : A 64 CYS SG : rot 90:sc= -1.44 USER MOD Single : A 67 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.8) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.38) USER MOD Single : A 92 MET CE :methyl 177:sc= 0 (180deg=-0.014) USER MOD Single : A 99 GLN : amide:sc= 0.0291 X(o=0.029,f=-0.06) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 2.06 (180deg=1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.936 -6.387 -33.248 1.00 0.00 N ATOM 2 CA MET A 1 -8.201 -6.299 -31.940 1.00 0.00 C ATOM 3 C MET A 1 -7.084 -7.364 -31.791 1.00 0.00 C ATOM 4 O MET A 1 -6.979 -8.265 -32.627 1.00 0.00 O ATOM 5 CB MET A 1 -9.177 -6.282 -30.739 1.00 0.00 C ATOM 6 CG MET A 1 -10.155 -7.467 -30.629 1.00 0.00 C ATOM 7 SD MET A 1 -9.454 -9.120 -30.365 1.00 0.00 S ATOM 8 CE MET A 1 -8.894 -8.955 -28.652 1.00 0.00 C ATOM 0 H1 MET A 1 -9.948 -6.208 -33.090 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.558 -5.677 -33.907 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.812 -7.337 -33.653 1.00 0.00 H new ATOM 0 HA MET A 1 -7.680 -5.341 -31.942 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.589 -6.239 -29.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.760 -5.362 -30.787 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.842 -7.259 -29.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.749 -7.497 -31.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.826 -9.168 -28.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.080 -7.939 -28.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.438 -9.659 -28.022 1.00 0.00 H new ATOM 20 N SER A 2 -6.253 -7.258 -30.753 1.00 0.00 N ATOM 21 CA SER A 2 -5.133 -8.174 -30.469 1.00 0.00 C ATOM 22 C SER A 2 -5.050 -8.508 -28.968 1.00 0.00 C ATOM 23 O SER A 2 -5.481 -7.721 -28.120 1.00 0.00 O ATOM 24 CB SER A 2 -3.802 -7.546 -30.919 1.00 0.00 C ATOM 25 OG SER A 2 -3.784 -7.280 -32.318 1.00 0.00 O ATOM 0 H SER A 2 -6.338 -6.512 -30.063 1.00 0.00 H new ATOM 0 HA SER A 2 -5.313 -9.095 -31.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.635 -6.618 -30.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.981 -8.217 -30.667 1.00 0.00 H new ATOM 0 HG SER A 2 -2.924 -6.881 -32.564 1.00 0.00 H new ATOM 31 N ILE A 3 -4.472 -9.666 -28.623 1.00 0.00 N ATOM 32 CA ILE A 3 -4.323 -10.175 -27.245 1.00 0.00 C ATOM 33 C ILE A 3 -3.191 -11.218 -27.175 1.00 0.00 C ATOM 34 O ILE A 3 -2.920 -11.908 -28.162 1.00 0.00 O ATOM 35 CB ILE A 3 -5.684 -10.702 -26.712 1.00 0.00 C ATOM 36 CG1 ILE A 3 -5.623 -10.992 -25.194 1.00 0.00 C ATOM 37 CG2 ILE A 3 -6.188 -11.928 -27.502 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.997 -11.204 -24.549 1.00 0.00 C ATOM 0 H ILE A 3 -4.079 -10.301 -29.318 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.029 -9.360 -26.584 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.413 -9.907 -26.869 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.013 -11.880 -25.027 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.122 -10.163 -24.695 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.142 -12.259 -27.091 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.318 -11.657 -28.550 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.460 -12.736 -27.424 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.873 -11.402 -23.484 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.604 -10.308 -24.683 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.493 -12.052 -25.020 1.00 0.00 H new ATOM 50 N GLU A 4 -2.517 -11.319 -26.027 1.00 0.00 N ATOM 51 CA GLU A 4 -1.375 -12.212 -25.782 1.00 0.00 C ATOM 52 C GLU A 4 -1.532 -12.968 -24.449 1.00 0.00 C ATOM 53 O GLU A 4 -2.297 -12.564 -23.568 1.00 0.00 O ATOM 54 CB GLU A 4 -0.065 -11.399 -25.762 1.00 0.00 C ATOM 55 CG GLU A 4 0.339 -10.801 -27.121 1.00 0.00 C ATOM 56 CD GLU A 4 0.665 -11.846 -28.204 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.098 -12.978 -27.876 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.538 -11.520 -29.408 1.00 0.00 O ATOM 0 H GLU A 4 -2.759 -10.760 -25.209 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.342 -12.943 -26.590 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.166 -10.589 -25.039 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.741 -12.042 -25.409 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.470 -10.165 -27.479 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.209 -10.160 -26.978 1.00 0.00 H new ATOM 65 N ASN A 5 -0.781 -14.063 -24.293 1.00 0.00 N ATOM 66 CA ASN A 5 -0.790 -14.951 -23.123 1.00 0.00 C ATOM 67 C ASN A 5 0.540 -15.731 -23.000 1.00 0.00 C ATOM 68 O ASN A 5 1.230 -15.954 -24.001 1.00 0.00 O ATOM 69 CB ASN A 5 -2.004 -15.897 -23.228 1.00 0.00 C ATOM 70 CG ASN A 5 -2.143 -16.820 -22.022 1.00 0.00 C ATOM 71 OD1 ASN A 5 -1.903 -18.019 -22.101 1.00 0.00 O ATOM 72 ND2 ASN A 5 -2.499 -16.286 -20.865 1.00 0.00 N ATOM 0 H ASN A 5 -0.122 -14.369 -25.009 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.882 -14.357 -22.214 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.913 -15.304 -23.332 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.912 -16.500 -24.132 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.575 -16.873 -20.034 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.698 -15.287 -20.804 1.00 0.00 H new ATOM 79 N LEU A 6 0.898 -16.154 -21.780 1.00 0.00 N ATOM 80 CA LEU A 6 2.135 -16.886 -21.465 1.00 0.00 C ATOM 81 C LEU A 6 1.950 -17.883 -20.309 1.00 0.00 C ATOM 82 O LEU A 6 0.929 -17.877 -19.617 1.00 0.00 O ATOM 83 CB LEU A 6 3.299 -15.886 -21.252 1.00 0.00 C ATOM 84 CG LEU A 6 3.126 -14.785 -20.176 1.00 0.00 C ATOM 85 CD1 LEU A 6 3.096 -15.321 -18.735 1.00 0.00 C ATOM 86 CD2 LEU A 6 4.289 -13.787 -20.300 1.00 0.00 C ATOM 0 H LEU A 6 0.317 -15.991 -20.958 1.00 0.00 H new ATOM 0 HA LEU A 6 2.400 -17.511 -22.318 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.191 -16.460 -21.001 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.495 -15.394 -22.205 1.00 0.00 H new ATOM 0 HG LEU A 6 2.159 -14.317 -20.360 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.972 -14.490 -18.040 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.263 -16.015 -18.622 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.031 -15.838 -18.520 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.180 -13.006 -19.548 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.234 -14.309 -20.147 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.279 -13.338 -21.293 1.00 0.00 H new ATOM 98 N LYS A 7 2.950 -18.741 -20.089 1.00 0.00 N ATOM 99 CA LYS A 7 2.964 -19.725 -19.000 1.00 0.00 C ATOM 100 C LYS A 7 3.320 -19.060 -17.654 1.00 0.00 C ATOM 101 O LYS A 7 4.491 -18.842 -17.336 1.00 0.00 O ATOM 102 CB LYS A 7 3.922 -20.870 -19.387 1.00 0.00 C ATOM 103 CG LYS A 7 3.848 -22.045 -18.395 1.00 0.00 C ATOM 104 CD LYS A 7 4.884 -23.142 -18.685 1.00 0.00 C ATOM 105 CE LYS A 7 4.661 -23.812 -20.049 1.00 0.00 C ATOM 106 NZ LYS A 7 5.646 -24.897 -20.296 1.00 0.00 N ATOM 0 H LYS A 7 3.787 -18.773 -20.671 1.00 0.00 H new ATOM 0 HA LYS A 7 1.970 -20.149 -18.858 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.677 -21.225 -20.388 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.943 -20.491 -19.424 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.999 -21.669 -17.383 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.849 -22.479 -18.428 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.884 -22.710 -18.655 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.839 -23.897 -17.900 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.651 -24.220 -20.093 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.737 -23.064 -20.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.464 -25.326 -21.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.608 -24.503 -20.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.556 -25.623 -19.557 1.00 0.00 H new ATOM 120 N SER A 8 2.309 -18.738 -16.851 1.00 0.00 N ATOM 121 CA SER A 8 2.459 -18.160 -15.504 1.00 0.00 C ATOM 122 C SER A 8 2.658 -19.213 -14.394 1.00 0.00 C ATOM 123 O SER A 8 3.098 -18.871 -13.291 1.00 0.00 O ATOM 124 CB SER A 8 1.220 -17.303 -15.204 1.00 0.00 C ATOM 125 OG SER A 8 0.016 -18.038 -15.407 1.00 0.00 O ATOM 0 H SER A 8 1.334 -18.873 -17.120 1.00 0.00 H new ATOM 0 HA SER A 8 3.367 -17.558 -15.505 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.262 -16.948 -14.174 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.222 -16.421 -15.845 1.00 0.00 H new ATOM 0 HG SER A 8 -0.754 -17.466 -15.206 1.00 0.00 H new ATOM 131 N PHE A 9 2.352 -20.488 -14.668 1.00 0.00 N ATOM 132 CA PHE A 9 2.434 -21.603 -13.719 1.00 0.00 C ATOM 133 C PHE A 9 3.805 -22.308 -13.739 1.00 0.00 C ATOM 134 O PHE A 9 4.479 -22.364 -14.769 1.00 0.00 O ATOM 135 CB PHE A 9 1.316 -22.611 -14.032 1.00 0.00 C ATOM 136 CG PHE A 9 -0.089 -22.040 -13.961 1.00 0.00 C ATOM 137 CD1 PHE A 9 -0.703 -21.834 -12.710 1.00 0.00 C ATOM 138 CD2 PHE A 9 -0.786 -21.714 -15.140 1.00 0.00 C ATOM 139 CE1 PHE A 9 -2.005 -21.306 -12.639 1.00 0.00 C ATOM 140 CE2 PHE A 9 -2.088 -21.185 -15.070 1.00 0.00 C ATOM 141 CZ PHE A 9 -2.697 -20.981 -13.820 1.00 0.00 C ATOM 0 H PHE A 9 2.029 -20.780 -15.590 1.00 0.00 H new ATOM 0 HA PHE A 9 2.311 -21.194 -12.716 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.479 -23.016 -15.031 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.391 -23.445 -13.334 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.173 -22.082 -11.803 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.320 -21.870 -16.102 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.473 -21.150 -11.678 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.619 -20.936 -15.977 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.696 -20.575 -13.766 1.00 0.00 H new ATOM 151 N ASP A 10 4.172 -22.919 -12.609 1.00 0.00 N ATOM 152 CA ASP A 10 5.329 -23.813 -12.443 1.00 0.00 C ATOM 153 C ASP A 10 4.977 -24.963 -11.470 1.00 0.00 C ATOM 154 O ASP A 10 4.203 -24.738 -10.531 1.00 0.00 O ATOM 155 CB ASP A 10 6.541 -23.036 -11.900 1.00 0.00 C ATOM 156 CG ASP A 10 7.194 -22.126 -12.953 1.00 0.00 C ATOM 157 OD1 ASP A 10 7.863 -22.661 -13.869 1.00 0.00 O ATOM 158 OD2 ASP A 10 7.082 -20.881 -12.832 1.00 0.00 O ATOM 0 H ASP A 10 3.648 -22.800 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 10 5.583 -24.227 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.226 -22.431 -11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.283 -23.744 -11.530 1.00 0.00 H new ATOM 163 N PRO A 11 5.532 -26.180 -11.657 1.00 0.00 N ATOM 164 CA PRO A 11 5.232 -27.336 -10.811 1.00 0.00 C ATOM 165 C PRO A 11 5.968 -27.295 -9.461 1.00 0.00 C ATOM 166 O PRO A 11 5.457 -27.829 -8.478 1.00 0.00 O ATOM 167 CB PRO A 11 5.659 -28.547 -11.648 1.00 0.00 C ATOM 168 CG PRO A 11 6.834 -28.014 -12.469 1.00 0.00 C ATOM 169 CD PRO A 11 6.417 -26.570 -12.750 1.00 0.00 C ATOM 0 HA PRO A 11 4.176 -27.365 -10.541 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.956 -29.386 -11.019 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.849 -28.899 -12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.771 -28.065 -11.915 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.976 -28.581 -13.389 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.288 -25.916 -12.798 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.907 -26.492 -13.710 1.00 0.00 H new ATOM 177 N PHE A 12 7.143 -26.651 -9.409 1.00 0.00 N ATOM 178 CA PHE A 12 8.072 -26.534 -8.288 1.00 0.00 C ATOM 179 C PHE A 12 9.274 -25.666 -8.711 1.00 0.00 C ATOM 180 O PHE A 12 9.489 -25.398 -9.897 1.00 0.00 O ATOM 181 CB PHE A 12 8.526 -27.921 -7.774 1.00 0.00 C ATOM 182 CG PHE A 12 9.176 -28.822 -8.814 1.00 0.00 C ATOM 183 CD1 PHE A 12 10.535 -28.662 -9.147 1.00 0.00 C ATOM 184 CD2 PHE A 12 8.421 -29.830 -9.444 1.00 0.00 C ATOM 185 CE1 PHE A 12 11.128 -29.491 -10.116 1.00 0.00 C ATOM 186 CE2 PHE A 12 9.014 -30.659 -10.414 1.00 0.00 C ATOM 187 CZ PHE A 12 10.367 -30.487 -10.753 1.00 0.00 C ATOM 0 H PHE A 12 7.494 -26.155 -10.228 1.00 0.00 H new ATOM 0 HA PHE A 12 7.560 -26.050 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 12 9.230 -27.773 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.660 -28.438 -7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 12 11.123 -27.901 -8.657 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.382 -29.967 -9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 12 12.169 -29.362 -10.371 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.429 -31.427 -10.898 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.822 -31.119 -11.502 1.00 0.00 H new ATOM 197 N ALA A 13 10.076 -25.264 -7.728 1.00 0.00 N ATOM 198 CA ALA A 13 11.357 -24.571 -7.892 1.00 0.00 C ATOM 199 C ALA A 13 12.325 -24.911 -6.741 1.00 0.00 C ATOM 200 O ALA A 13 11.903 -25.120 -5.602 1.00 0.00 O ATOM 201 CB ALA A 13 11.103 -23.059 -7.984 1.00 0.00 C ATOM 0 H ALA A 13 9.842 -25.419 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 13 11.832 -24.907 -8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.052 -22.537 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.461 -22.849 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.615 -22.716 -7.072 1.00 0.00 H new ATOM 207 N ASP A 14 13.627 -24.960 -7.038 1.00 0.00 N ATOM 208 CA ASP A 14 14.687 -25.277 -6.065 1.00 0.00 C ATOM 209 C ASP A 14 15.086 -24.069 -5.190 1.00 0.00 C ATOM 210 O ASP A 14 15.534 -24.245 -4.054 1.00 0.00 O ATOM 211 CB ASP A 14 15.900 -25.810 -6.840 1.00 0.00 C ATOM 212 CG ASP A 14 17.027 -26.299 -5.913 1.00 0.00 C ATOM 213 OD1 ASP A 14 16.849 -27.353 -5.257 1.00 0.00 O ATOM 214 OD2 ASP A 14 18.095 -25.642 -5.866 1.00 0.00 O ATOM 0 H ASP A 14 13.984 -24.778 -7.976 1.00 0.00 H new ATOM 0 HA ASP A 14 14.307 -26.029 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.583 -26.630 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.285 -25.024 -7.490 1.00 0.00 H new ATOM 219 N THR A 15 14.911 -22.849 -5.714 1.00 0.00 N ATOM 220 CA THR A 15 15.267 -21.574 -5.068 1.00 0.00 C ATOM 221 C THR A 15 14.149 -21.047 -4.168 1.00 0.00 C ATOM 222 O THR A 15 12.964 -21.268 -4.431 1.00 0.00 O ATOM 223 CB THR A 15 15.639 -20.519 -6.121 1.00 0.00 C ATOM 224 OG1 THR A 15 14.648 -20.459 -7.129 1.00 0.00 O ATOM 225 CG2 THR A 15 16.973 -20.850 -6.793 1.00 0.00 C ATOM 0 H THR A 15 14.501 -22.715 -6.638 1.00 0.00 H new ATOM 0 HA THR A 15 16.132 -21.770 -4.434 1.00 0.00 H new ATOM 0 HB THR A 15 15.717 -19.563 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.897 -19.782 -7.792 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.208 -20.085 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.761 -20.882 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.902 -21.820 -7.285 1.00 0.00 H new ATOM 233 N GLY A 16 14.538 -20.311 -3.122 1.00 0.00 N ATOM 234 CA GLY A 16 13.635 -19.569 -2.231 1.00 0.00 C ATOM 235 C GLY A 16 13.380 -18.133 -2.705 1.00 0.00 C ATOM 236 O GLY A 16 13.602 -17.794 -3.870 1.00 0.00 O ATOM 0 H GLY A 16 15.519 -20.211 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.685 -20.098 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.060 -19.545 -1.228 1.00 0.00 H new ATOM 240 N ASP A 17 12.911 -17.282 -1.790 1.00 0.00 N ATOM 241 CA ASP A 17 12.712 -15.845 -2.027 1.00 0.00 C ATOM 242 C ASP A 17 14.053 -15.100 -2.210 1.00 0.00 C ATOM 243 O ASP A 17 15.015 -15.339 -1.476 1.00 0.00 O ATOM 244 CB ASP A 17 11.896 -15.251 -0.868 1.00 0.00 C ATOM 245 CG ASP A 17 11.611 -13.753 -1.050 1.00 0.00 C ATOM 246 OD1 ASP A 17 11.136 -13.352 -2.140 1.00 0.00 O ATOM 247 OD2 ASP A 17 11.848 -12.972 -0.101 1.00 0.00 O ATOM 0 H ASP A 17 12.654 -17.574 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 17 12.160 -15.718 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.952 -15.788 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.436 -15.403 0.066 1.00 0.00 H new ATOM 252 N ASP A 18 14.116 -14.193 -3.188 1.00 0.00 N ATOM 253 CA ASP A 18 15.316 -13.413 -3.517 1.00 0.00 C ATOM 254 C ASP A 18 15.504 -12.212 -2.571 1.00 0.00 C ATOM 255 O ASP A 18 14.553 -11.480 -2.289 1.00 0.00 O ATOM 256 CB ASP A 18 15.241 -12.959 -4.984 1.00 0.00 C ATOM 257 CG ASP A 18 16.519 -12.232 -5.437 1.00 0.00 C ATOM 258 OD1 ASP A 18 17.621 -12.811 -5.290 1.00 0.00 O ATOM 259 OD2 ASP A 18 16.414 -11.095 -5.954 1.00 0.00 O ATOM 0 H ASP A 18 13.319 -13.974 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 18 16.189 -14.051 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.074 -13.827 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.384 -12.298 -5.114 1.00 0.00 H new ATOM 264 N GLU A 19 16.735 -11.996 -2.096 1.00 0.00 N ATOM 265 CA GLU A 19 17.096 -10.947 -1.135 1.00 0.00 C ATOM 266 C GLU A 19 18.494 -10.374 -1.435 1.00 0.00 C ATOM 267 O GLU A 19 19.378 -11.087 -1.924 1.00 0.00 O ATOM 268 CB GLU A 19 17.077 -11.495 0.306 1.00 0.00 C ATOM 269 CG GLU A 19 15.687 -11.922 0.797 1.00 0.00 C ATOM 270 CD GLU A 19 15.735 -12.312 2.283 1.00 0.00 C ATOM 271 OE1 GLU A 19 16.045 -13.485 2.600 1.00 0.00 O ATOM 272 OE2 GLU A 19 15.472 -11.443 3.148 1.00 0.00 O ATOM 0 H GLU A 19 17.534 -12.564 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 19 16.357 -10.152 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.750 -12.350 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.469 -10.732 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.978 -11.107 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.329 -12.765 0.206 1.00 0.00 H new ATOM 279 N THR A 20 18.699 -9.091 -1.096 1.00 0.00 N ATOM 280 CA THR A 20 19.968 -8.353 -1.286 1.00 0.00 C ATOM 281 C THR A 20 20.222 -7.282 -0.204 1.00 0.00 C ATOM 282 O THR A 20 21.097 -6.430 -0.351 1.00 0.00 O ATOM 283 CB THR A 20 20.037 -7.840 -2.740 1.00 0.00 C ATOM 284 OG1 THR A 20 21.366 -7.528 -3.095 1.00 0.00 O ATOM 285 CG2 THR A 20 19.155 -6.617 -3.013 1.00 0.00 C ATOM 0 H THR A 20 17.970 -8.519 -0.670 1.00 0.00 H new ATOM 0 HA THR A 20 20.806 -9.035 -1.140 1.00 0.00 H new ATOM 0 HB THR A 20 19.654 -8.658 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 20 21.794 -7.039 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 20 19.260 -6.318 -4.056 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.114 -6.867 -2.810 1.00 0.00 H new ATOM 0 HG23 THR A 20 19.463 -5.795 -2.368 1.00 0.00 H new ATOM 293 N ALA A 21 19.447 -7.312 0.893 1.00 0.00 N ATOM 294 CA ALA A 21 19.593 -6.488 2.108 1.00 0.00 C ATOM 295 C ALA A 21 19.353 -4.968 1.918 1.00 0.00 C ATOM 296 O ALA A 21 19.609 -4.186 2.840 1.00 0.00 O ATOM 297 CB ALA A 21 20.945 -6.804 2.777 1.00 0.00 C ATOM 0 H ALA A 21 18.654 -7.950 0.961 1.00 0.00 H new ATOM 0 HA ALA A 21 18.779 -6.771 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 21 21.057 -6.197 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 21 20.980 -7.860 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 21 21.755 -6.579 2.084 1.00 0.00 H new ATOM 303 N THR A 22 18.867 -4.540 0.741 1.00 0.00 N ATOM 304 CA THR A 22 18.580 -3.132 0.411 1.00 0.00 C ATOM 305 C THR A 22 17.335 -2.614 1.130 1.00 0.00 C ATOM 306 O THR A 22 16.407 -3.363 1.431 1.00 0.00 O ATOM 307 CB THR A 22 18.502 -2.941 -1.111 1.00 0.00 C ATOM 308 OG1 THR A 22 18.482 -1.559 -1.388 1.00 0.00 O ATOM 309 CG2 THR A 22 17.270 -3.574 -1.764 1.00 0.00 C ATOM 0 H THR A 22 18.657 -5.178 -0.027 1.00 0.00 H new ATOM 0 HA THR A 22 19.408 -2.525 0.777 1.00 0.00 H new ATOM 0 HB THR A 22 19.374 -3.444 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 22 19.156 -1.352 -2.068 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.294 -3.392 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 22 17.271 -4.648 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 22 16.367 -3.133 -1.341 1.00 0.00 H new ATOM 317 N SER A 23 17.296 -1.308 1.372 1.00 0.00 N ATOM 318 CA SER A 23 16.134 -0.583 1.909 1.00 0.00 C ATOM 319 C SER A 23 15.054 -0.284 0.846 1.00 0.00 C ATOM 320 O SER A 23 13.966 0.188 1.185 1.00 0.00 O ATOM 321 CB SER A 23 16.624 0.721 2.559 1.00 0.00 C ATOM 322 OG SER A 23 17.403 1.499 1.653 1.00 0.00 O ATOM 0 H SER A 23 18.095 -0.699 1.196 1.00 0.00 H new ATOM 0 HA SER A 23 15.655 -1.226 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.767 1.304 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.218 0.487 3.442 1.00 0.00 H new ATOM 0 HG SER A 23 17.697 2.322 2.097 1.00 0.00 H new ATOM 328 N ASN A 24 15.326 -0.568 -0.436 1.00 0.00 N ATOM 329 CA ASN A 24 14.415 -0.313 -1.562 1.00 0.00 C ATOM 330 C ASN A 24 13.227 -1.300 -1.664 1.00 0.00 C ATOM 331 O ASN A 24 12.346 -1.106 -2.506 1.00 0.00 O ATOM 332 CB ASN A 24 15.224 -0.280 -2.869 1.00 0.00 C ATOM 333 CG ASN A 24 16.092 0.970 -2.972 1.00 0.00 C ATOM 334 OD1 ASN A 24 15.631 2.037 -3.363 1.00 0.00 O ATOM 335 ND2 ASN A 24 17.362 0.886 -2.623 1.00 0.00 N ATOM 0 H ASN A 24 16.207 -0.992 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 24 13.951 0.656 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 24 15.856 -1.166 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.542 -0.319 -3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 24 17.962 1.709 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 24 17.744 -0.002 -2.298 1.00 0.00 H new ATOM 342 N TYR A 25 13.169 -2.349 -0.831 1.00 0.00 N ATOM 343 CA TYR A 25 11.999 -3.232 -0.744 1.00 0.00 C ATOM 344 C TYR A 25 10.805 -2.563 -0.036 1.00 0.00 C ATOM 345 O TYR A 25 10.940 -1.970 1.037 1.00 0.00 O ATOM 346 CB TYR A 25 12.350 -4.556 -0.051 1.00 0.00 C ATOM 347 CG TYR A 25 13.125 -5.526 -0.919 1.00 0.00 C ATOM 348 CD1 TYR A 25 12.470 -6.194 -1.972 1.00 0.00 C ATOM 349 CD2 TYR A 25 14.490 -5.776 -0.676 1.00 0.00 C ATOM 350 CE1 TYR A 25 13.178 -7.086 -2.797 1.00 0.00 C ATOM 351 CE2 TYR A 25 15.199 -6.683 -1.485 1.00 0.00 C ATOM 352 CZ TYR A 25 14.547 -7.336 -2.557 1.00 0.00 C ATOM 353 OH TYR A 25 15.223 -8.207 -3.357 1.00 0.00 O ATOM 0 H TYR A 25 13.929 -2.608 -0.202 1.00 0.00 H new ATOM 0 HA TYR A 25 11.697 -3.440 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.934 -4.341 0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.428 -5.037 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.418 -6.020 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.994 -5.270 0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.674 -7.580 -3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 25 16.242 -6.881 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 25 16.155 -8.268 -3.060 1.00 0.00 H new ATOM 363 N ILE A 26 9.620 -2.716 -0.627 1.00 0.00 N ATOM 364 CA ILE A 26 8.315 -2.343 -0.063 1.00 0.00 C ATOM 365 C ILE A 26 7.676 -3.615 0.492 1.00 0.00 C ATOM 366 O ILE A 26 7.655 -4.633 -0.192 1.00 0.00 O ATOM 367 CB ILE A 26 7.416 -1.695 -1.144 1.00 0.00 C ATOM 368 CG1 ILE A 26 8.162 -0.541 -1.854 1.00 0.00 C ATOM 369 CG2 ILE A 26 6.087 -1.214 -0.524 1.00 0.00 C ATOM 370 CD1 ILE A 26 7.329 0.197 -2.903 1.00 0.00 C ATOM 0 H ILE A 26 9.536 -3.123 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 26 8.438 -1.606 0.730 1.00 0.00 H new ATOM 0 HB ILE A 26 7.179 -2.446 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.497 0.175 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.055 -0.942 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.467 -0.761 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.560 -2.063 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.293 -0.478 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.928 0.990 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.016 -0.503 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.449 0.631 -2.429 1.00 0.00 H new ATOM 382 N HIS A 27 7.149 -3.573 1.710 1.00 0.00 N ATOM 383 CA HIS A 27 6.537 -4.720 2.382 1.00 0.00 C ATOM 384 C HIS A 27 5.057 -4.437 2.683 1.00 0.00 C ATOM 385 O HIS A 27 4.732 -3.490 3.404 1.00 0.00 O ATOM 386 CB HIS A 27 7.325 -5.029 3.666 1.00 0.00 C ATOM 387 CG HIS A 27 8.785 -5.313 3.435 1.00 0.00 C ATOM 388 ND1 HIS A 27 9.333 -6.566 3.159 1.00 0.00 N ATOM 389 CD2 HIS A 27 9.788 -4.390 3.484 1.00 0.00 C ATOM 390 CE1 HIS A 27 10.657 -6.363 3.038 1.00 0.00 C ATOM 391 NE2 HIS A 27 10.959 -5.066 3.230 1.00 0.00 N ATOM 0 H HIS A 27 7.133 -2.723 2.273 1.00 0.00 H new ATOM 0 HA HIS A 27 6.574 -5.593 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.233 -4.184 4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.872 -5.888 4.160 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.834 -7.451 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.683 -3.334 3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.379 -7.135 2.817 1.00 0.00 H new ATOM 399 N ILE A 28 4.152 -5.256 2.143 1.00 0.00 N ATOM 400 CA ILE A 28 2.704 -5.173 2.405 1.00 0.00 C ATOM 401 C ILE A 28 2.321 -6.392 3.248 1.00 0.00 C ATOM 402 O ILE A 28 2.290 -7.521 2.751 1.00 0.00 O ATOM 403 CB ILE A 28 1.894 -5.061 1.090 1.00 0.00 C ATOM 404 CG1 ILE A 28 2.402 -3.892 0.208 1.00 0.00 C ATOM 405 CG2 ILE A 28 0.404 -4.857 1.440 1.00 0.00 C ATOM 406 CD1 ILE A 28 1.831 -3.910 -1.212 1.00 0.00 C ATOM 0 H ILE A 28 4.403 -6.008 1.501 1.00 0.00 H new ATOM 0 HA ILE A 28 2.461 -4.266 2.959 1.00 0.00 H new ATOM 0 HB ILE A 28 2.023 -5.980 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.141 -2.947 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.490 -3.933 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.178 -4.777 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.047 -5.707 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.289 -3.944 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.228 -3.065 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.114 -4.840 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.744 -3.838 -1.168 1.00 0.00 H new ATOM 418 N ARG A 29 2.101 -6.155 4.541 1.00 0.00 N ATOM 419 CA ARG A 29 1.883 -7.172 5.577 1.00 0.00 C ATOM 420 C ARG A 29 0.425 -7.149 6.057 1.00 0.00 C ATOM 421 O ARG A 29 -0.314 -6.212 5.760 1.00 0.00 O ATOM 422 CB ARG A 29 2.842 -6.926 6.765 1.00 0.00 C ATOM 423 CG ARG A 29 4.304 -6.625 6.380 1.00 0.00 C ATOM 424 CD ARG A 29 5.186 -6.453 7.625 1.00 0.00 C ATOM 425 NE ARG A 29 6.574 -6.120 7.258 1.00 0.00 N ATOM 426 CZ ARG A 29 7.548 -6.954 6.916 1.00 0.00 C ATOM 427 NH1 ARG A 29 7.383 -8.258 6.858 1.00 0.00 N ATOM 428 NH2 ARG A 29 8.722 -6.450 6.621 1.00 0.00 N ATOM 0 H ARG A 29 2.068 -5.207 4.915 1.00 0.00 H new ATOM 0 HA ARG A 29 2.088 -8.154 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.459 -6.092 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.827 -7.804 7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.694 -7.436 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.344 -5.719 5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.776 -5.665 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.173 -7.372 8.212 1.00 0.00 H new ATOM 0 HE ARG A 29 6.815 -5.129 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.476 -8.668 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.162 -8.859 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.868 -5.441 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.489 -7.067 6.355 1.00 0.00 H new ATOM 442 N ILE A 30 0.008 -8.142 6.843 1.00 0.00 N ATOM 443 CA ILE A 30 -1.275 -8.136 7.578 1.00 0.00 C ATOM 444 C ILE A 30 -0.974 -8.403 9.058 1.00 0.00 C ATOM 445 O ILE A 30 -0.094 -9.206 9.379 1.00 0.00 O ATOM 446 CB ILE A 30 -2.303 -9.131 6.973 1.00 0.00 C ATOM 447 CG1 ILE A 30 -2.565 -8.771 5.489 1.00 0.00 C ATOM 448 CG2 ILE A 30 -3.626 -9.112 7.762 1.00 0.00 C ATOM 449 CD1 ILE A 30 -3.612 -9.639 4.785 1.00 0.00 C ATOM 0 H ILE A 30 0.554 -8.990 6.995 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.754 -7.161 7.485 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.887 -10.137 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.883 -7.730 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.625 -8.847 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.326 -9.818 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.436 -9.395 8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.053 -8.110 7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.724 -9.309 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.291 -10.681 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.568 -9.546 5.301 1.00 0.00 H new ATOM 461 N GLN A 31 -1.675 -7.710 9.953 1.00 0.00 N ATOM 462 CA GLN A 31 -1.466 -7.798 11.399 1.00 0.00 C ATOM 463 C GLN A 31 -2.035 -9.108 11.976 1.00 0.00 C ATOM 464 O GLN A 31 -2.914 -9.741 11.387 1.00 0.00 O ATOM 465 CB GLN A 31 -2.073 -6.555 12.077 1.00 0.00 C ATOM 466 CG GLN A 31 -1.333 -5.251 11.710 1.00 0.00 C ATOM 467 CD GLN A 31 0.132 -5.258 12.159 1.00 0.00 C ATOM 468 OE1 GLN A 31 0.454 -5.509 13.313 1.00 0.00 O ATOM 469 NE2 GLN A 31 1.080 -5.023 11.276 1.00 0.00 N ATOM 0 H GLN A 31 -2.417 -7.061 9.691 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.396 -7.818 11.604 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.121 -6.466 11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.049 -6.689 13.158 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.378 -5.104 10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.846 -4.405 12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.835 -4.812 10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.059 -5.052 11.559 1.00 0.00 H new ATOM 478 N GLN A 32 -1.517 -9.537 13.132 1.00 0.00 N ATOM 479 CA GLN A 32 -1.789 -10.868 13.685 1.00 0.00 C ATOM 480 C GLN A 32 -3.219 -10.982 14.235 1.00 0.00 C ATOM 481 O GLN A 32 -3.665 -10.150 15.031 1.00 0.00 O ATOM 482 CB GLN A 32 -0.760 -11.216 14.780 1.00 0.00 C ATOM 483 CG GLN A 32 0.701 -11.277 14.291 1.00 0.00 C ATOM 484 CD GLN A 32 0.984 -12.363 13.246 1.00 0.00 C ATOM 485 OE1 GLN A 32 0.214 -13.289 13.018 1.00 0.00 O ATOM 486 NE2 GLN A 32 2.109 -12.293 12.560 1.00 0.00 N ATOM 0 H GLN A 32 -0.897 -8.971 13.711 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.697 -11.585 12.869 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.832 -10.476 15.577 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.024 -12.180 15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.969 -10.308 13.870 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.351 -11.441 15.151 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.765 -11.531 12.733 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.323 -13.001 11.857 1.00 0.00 H new ATOM 495 N ARG A 33 -3.926 -12.047 13.831 1.00 0.00 N ATOM 496 CA ARG A 33 -5.305 -12.331 14.246 1.00 0.00 C ATOM 497 C ARG A 33 -5.330 -12.970 15.641 1.00 0.00 C ATOM 498 O ARG A 33 -5.088 -14.167 15.805 1.00 0.00 O ATOM 499 CB ARG A 33 -5.999 -13.212 13.194 1.00 0.00 C ATOM 500 CG ARG A 33 -6.339 -12.408 11.929 1.00 0.00 C ATOM 501 CD ARG A 33 -6.953 -13.307 10.853 1.00 0.00 C ATOM 502 NE ARG A 33 -7.510 -12.499 9.756 1.00 0.00 N ATOM 503 CZ ARG A 33 -7.790 -12.902 8.525 1.00 0.00 C ATOM 504 NH1 ARG A 33 -7.508 -14.115 8.094 1.00 0.00 N ATOM 505 NH2 ARG A 33 -8.379 -12.059 7.710 1.00 0.00 N ATOM 0 H ARG A 33 -3.547 -12.748 13.194 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.860 -11.395 14.314 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.351 -14.049 12.933 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.911 -13.635 13.615 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.035 -11.608 12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.437 -11.936 11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.195 -13.986 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.737 -13.924 11.292 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.702 -11.520 9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.057 -14.785 8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.741 -14.384 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.610 -11.118 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.605 -12.344 6.757 1.00 0.00 H new ATOM 519 N ASN A 34 -5.638 -12.144 16.640 1.00 0.00 N ATOM 520 CA ASN A 34 -5.693 -12.477 18.072 1.00 0.00 C ATOM 521 C ASN A 34 -7.097 -12.263 18.696 1.00 0.00 C ATOM 522 O ASN A 34 -7.234 -12.212 19.922 1.00 0.00 O ATOM 523 CB ASN A 34 -4.612 -11.645 18.795 1.00 0.00 C ATOM 524 CG ASN A 34 -4.875 -10.137 18.806 1.00 0.00 C ATOM 525 OD1 ASN A 34 -5.782 -9.622 18.160 1.00 0.00 O ATOM 526 ND2 ASN A 34 -4.085 -9.381 19.546 1.00 0.00 N ATOM 0 H ASN A 34 -5.870 -11.166 16.467 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.495 -13.542 18.193 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.530 -11.994 19.824 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.649 -11.830 18.318 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.230 -8.372 19.579 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.330 -9.806 20.084 1.00 0.00 H new ATOM 533 N GLY A 35 -8.131 -12.087 17.860 1.00 0.00 N ATOM 534 CA GLY A 35 -9.499 -11.707 18.258 1.00 0.00 C ATOM 535 C GLY A 35 -9.831 -10.226 18.033 1.00 0.00 C ATOM 536 O GLY A 35 -10.917 -9.786 18.417 1.00 0.00 O ATOM 0 H GLY A 35 -8.037 -12.209 16.852 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.210 -12.316 17.700 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.637 -11.942 19.313 1.00 0.00 H new ATOM 540 N ARG A 36 -8.919 -9.448 17.435 1.00 0.00 N ATOM 541 CA ARG A 36 -9.128 -8.062 16.977 1.00 0.00 C ATOM 542 C ARG A 36 -9.194 -7.978 15.439 1.00 0.00 C ATOM 543 O ARG A 36 -8.945 -8.955 14.730 1.00 0.00 O ATOM 544 CB ARG A 36 -8.015 -7.148 17.540 1.00 0.00 C ATOM 545 CG ARG A 36 -7.882 -7.110 19.077 1.00 0.00 C ATOM 546 CD ARG A 36 -9.047 -6.440 19.825 1.00 0.00 C ATOM 547 NE ARG A 36 -10.251 -7.289 19.853 1.00 0.00 N ATOM 548 CZ ARG A 36 -11.406 -7.028 20.450 1.00 0.00 C ATOM 549 NH1 ARG A 36 -11.602 -5.936 21.158 1.00 0.00 N ATOM 550 NH2 ARG A 36 -12.387 -7.893 20.327 1.00 0.00 N ATOM 0 H ARG A 36 -7.973 -9.779 17.248 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.090 -7.716 17.356 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.062 -7.470 17.121 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.193 -6.133 17.186 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.779 -8.132 19.441 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.960 -6.587 19.332 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.739 -6.215 20.846 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.285 -5.490 19.347 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.189 -8.178 19.357 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.851 -5.254 21.263 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.505 -5.771 21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.251 -8.744 19.781 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.284 -7.714 20.777 1.00 0.00 H new ATOM 564 N LYS A 37 -9.553 -6.799 14.919 1.00 0.00 N ATOM 565 CA LYS A 37 -9.769 -6.513 13.490 1.00 0.00 C ATOM 566 C LYS A 37 -8.551 -6.850 12.592 1.00 0.00 C ATOM 567 O LYS A 37 -7.407 -6.555 12.956 1.00 0.00 O ATOM 568 CB LYS A 37 -10.157 -5.018 13.391 1.00 0.00 C ATOM 569 CG LYS A 37 -10.503 -4.494 11.987 1.00 0.00 C ATOM 570 CD LYS A 37 -11.813 -5.071 11.427 1.00 0.00 C ATOM 571 CE LYS A 37 -12.103 -4.543 10.013 1.00 0.00 C ATOM 572 NZ LYS A 37 -11.273 -5.213 8.975 1.00 0.00 N ATOM 0 H LYS A 37 -9.709 -5.980 15.506 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.562 -7.158 13.110 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.014 -4.843 14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.332 -4.424 13.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.578 -3.407 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.687 -4.736 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.752 -6.159 11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.639 -4.811 12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.158 -4.691 9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.918 -3.469 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.378 -4.712 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.274 -5.197 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.585 -6.199 8.864 1.00 0.00 H new ATOM 586 N THR A 38 -8.803 -7.396 11.389 1.00 0.00 N ATOM 587 CA THR A 38 -7.791 -7.579 10.323 1.00 0.00 C ATOM 588 C THR A 38 -7.414 -6.218 9.745 1.00 0.00 C ATOM 589 O THR A 38 -8.292 -5.494 9.269 1.00 0.00 O ATOM 590 CB THR A 38 -8.297 -8.502 9.205 1.00 0.00 C ATOM 591 OG1 THR A 38 -8.630 -9.762 9.746 1.00 0.00 O ATOM 592 CG2 THR A 38 -7.222 -8.766 8.150 1.00 0.00 C ATOM 0 H THR A 38 -9.729 -7.729 11.122 1.00 0.00 H new ATOM 0 HA THR A 38 -6.915 -8.053 10.766 1.00 0.00 H new ATOM 0 HB THR A 38 -9.153 -8.003 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.527 -10.019 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.623 -9.423 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.915 -7.822 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.360 -9.241 8.619 1.00 0.00 H new ATOM 600 N LEU A 39 -6.118 -5.897 9.757 1.00 0.00 N ATOM 601 CA LEU A 39 -5.534 -4.688 9.163 1.00 0.00 C ATOM 602 C LEU A 39 -4.348 -5.060 8.265 1.00 0.00 C ATOM 603 O LEU A 39 -3.482 -5.841 8.673 1.00 0.00 O ATOM 604 CB LEU A 39 -5.036 -3.730 10.267 1.00 0.00 C ATOM 605 CG LEU A 39 -6.090 -3.229 11.275 1.00 0.00 C ATOM 606 CD1 LEU A 39 -5.393 -2.374 12.343 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.195 -2.404 10.605 1.00 0.00 C ATOM 0 H LEU A 39 -5.418 -6.494 10.197 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.306 -4.195 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.245 -4.233 10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.585 -2.862 9.786 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.563 -4.103 11.723 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.131 -2.015 13.060 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.646 -2.976 12.861 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.906 -1.523 11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.911 -2.075 11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.755 -1.533 10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.706 -3.016 9.861 1.00 0.00 H new ATOM 619 N THR A 40 -4.274 -4.441 7.085 1.00 0.00 N ATOM 620 CA THR A 40 -3.122 -4.473 6.173 1.00 0.00 C ATOM 621 C THR A 40 -2.201 -3.318 6.552 1.00 0.00 C ATOM 622 O THR A 40 -2.683 -2.229 6.851 1.00 0.00 O ATOM 623 CB THR A 40 -3.599 -4.363 4.723 1.00 0.00 C ATOM 624 OG1 THR A 40 -4.334 -5.529 4.450 1.00 0.00 O ATOM 625 CG2 THR A 40 -2.473 -4.307 3.692 1.00 0.00 C ATOM 0 H THR A 40 -5.045 -3.880 6.721 1.00 0.00 H new ATOM 0 HA THR A 40 -2.578 -5.414 6.260 1.00 0.00 H new ATOM 0 HB THR A 40 -4.163 -3.434 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.161 -5.525 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.899 -4.230 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.844 -3.438 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.871 -5.213 3.761 1.00 0.00 H new ATOM 633 N THR A 41 -0.886 -3.540 6.552 1.00 0.00 N ATOM 634 CA THR A 41 0.136 -2.546 6.927 1.00 0.00 C ATOM 635 C THR A 41 1.182 -2.427 5.834 1.00 0.00 C ATOM 636 O THR A 41 1.837 -3.409 5.492 1.00 0.00 O ATOM 637 CB THR A 41 0.771 -2.855 8.287 1.00 0.00 C ATOM 638 OG1 THR A 41 0.941 -4.242 8.462 1.00 0.00 O ATOM 639 CG2 THR A 41 -0.125 -2.332 9.405 1.00 0.00 C ATOM 0 H THR A 41 -0.485 -4.439 6.285 1.00 0.00 H new ATOM 0 HA THR A 41 -0.360 -1.581 7.032 1.00 0.00 H new ATOM 0 HB THR A 41 1.746 -2.368 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.869 -4.428 8.715 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.330 -2.554 10.370 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.246 -1.254 9.300 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.101 -2.814 9.345 1.00 0.00 H new ATOM 647 N VAL A 42 1.329 -1.216 5.296 1.00 0.00 N ATOM 648 CA VAL A 42 2.276 -0.888 4.216 1.00 0.00 C ATOM 649 C VAL A 42 3.522 -0.232 4.811 1.00 0.00 C ATOM 650 O VAL A 42 3.420 0.762 5.530 1.00 0.00 O ATOM 651 CB VAL A 42 1.659 0.052 3.156 1.00 0.00 C ATOM 652 CG1 VAL A 42 2.607 0.240 1.956 1.00 0.00 C ATOM 653 CG2 VAL A 42 0.305 -0.469 2.651 1.00 0.00 C ATOM 0 H VAL A 42 0.782 -0.412 5.603 1.00 0.00 H new ATOM 0 HA VAL A 42 2.536 -1.821 3.716 1.00 0.00 H new ATOM 0 HB VAL A 42 1.504 1.013 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.144 0.906 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.547 0.673 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.802 -0.727 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.096 0.220 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.439 -1.452 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.390 -0.545 3.487 1.00 0.00 H new ATOM 663 N GLN A 43 4.688 -0.787 4.482 1.00 0.00 N ATOM 664 CA GLN A 43 6.004 -0.418 5.003 1.00 0.00 C ATOM 665 C GLN A 43 7.011 -0.306 3.842 1.00 0.00 C ATOM 666 O GLN A 43 6.863 -0.968 2.816 1.00 0.00 O ATOM 667 CB GLN A 43 6.399 -1.521 6.005 1.00 0.00 C ATOM 668 CG GLN A 43 7.768 -1.354 6.682 1.00 0.00 C ATOM 669 CD GLN A 43 8.100 -2.560 7.561 1.00 0.00 C ATOM 670 OE1 GLN A 43 8.182 -3.694 7.102 1.00 0.00 O ATOM 671 NE2 GLN A 43 8.284 -2.392 8.851 1.00 0.00 N ATOM 0 H GLN A 43 4.743 -1.549 3.807 1.00 0.00 H new ATOM 0 HA GLN A 43 5.993 0.552 5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.635 -1.570 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.387 -2.479 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.540 -1.231 5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.769 -0.448 7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.221 -1.459 9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.490 -3.195 9.446 1.00 0.00 H new ATOM 680 N GLY A 44 8.045 0.534 3.974 1.00 0.00 N ATOM 681 CA GLY A 44 9.187 0.568 3.041 1.00 0.00 C ATOM 682 C GLY A 44 8.959 1.324 1.725 1.00 0.00 C ATOM 683 O GLY A 44 9.888 1.430 0.926 1.00 0.00 O ATOM 0 H GLY A 44 8.117 1.213 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.036 1.020 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.467 -0.458 2.803 1.00 0.00 H new ATOM 687 N VAL A 45 7.758 1.867 1.497 1.00 0.00 N ATOM 688 CA VAL A 45 7.437 2.740 0.347 1.00 0.00 C ATOM 689 C VAL A 45 8.418 3.934 0.263 1.00 0.00 C ATOM 690 O VAL A 45 8.679 4.558 1.296 1.00 0.00 O ATOM 691 CB VAL A 45 5.957 3.202 0.359 1.00 0.00 C ATOM 692 CG1 VAL A 45 5.563 4.012 1.604 1.00 0.00 C ATOM 693 CG2 VAL A 45 5.598 4.014 -0.896 1.00 0.00 C ATOM 0 H VAL A 45 6.962 1.713 2.115 1.00 0.00 H new ATOM 0 HA VAL A 45 7.565 2.147 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 45 5.387 2.273 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.513 4.297 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.717 3.405 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.179 4.909 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.552 4.317 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.231 4.900 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.756 3.401 -1.783 1.00 0.00 H new ATOM 703 N PRO A 46 8.975 4.253 -0.927 1.00 0.00 N ATOM 704 CA PRO A 46 9.887 5.376 -1.128 1.00 0.00 C ATOM 705 C PRO A 46 9.316 6.718 -0.655 1.00 0.00 C ATOM 706 O PRO A 46 8.125 6.988 -0.801 1.00 0.00 O ATOM 707 CB PRO A 46 10.186 5.402 -2.628 1.00 0.00 C ATOM 708 CG PRO A 46 10.053 3.939 -3.031 1.00 0.00 C ATOM 709 CD PRO A 46 8.893 3.475 -2.157 1.00 0.00 C ATOM 0 HA PRO A 46 10.786 5.237 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.482 6.035 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.184 5.788 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.835 3.826 -4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.965 3.376 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.939 3.638 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.965 2.408 -1.948 1.00 0.00 H new ATOM 717 N GLU A 47 10.187 7.573 -0.112 1.00 0.00 N ATOM 718 CA GLU A 47 9.805 8.830 0.545 1.00 0.00 C ATOM 719 C GLU A 47 9.263 9.894 -0.437 1.00 0.00 C ATOM 720 O GLU A 47 8.605 10.851 -0.024 1.00 0.00 O ATOM 721 CB GLU A 47 11.042 9.347 1.308 1.00 0.00 C ATOM 722 CG GLU A 47 10.781 10.443 2.350 1.00 0.00 C ATOM 723 CD GLU A 47 9.924 9.946 3.525 1.00 0.00 C ATOM 724 OE1 GLU A 47 10.416 9.112 4.324 1.00 0.00 O ATOM 725 OE2 GLU A 47 8.768 10.406 3.680 1.00 0.00 O ATOM 0 H GLU A 47 11.194 7.410 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 47 8.978 8.635 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.514 8.502 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.759 9.728 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.733 10.813 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.281 11.284 1.870 1.00 0.00 H new ATOM 732 N GLU A 48 9.506 9.727 -1.744 1.00 0.00 N ATOM 733 CA GLU A 48 8.971 10.596 -2.800 1.00 0.00 C ATOM 734 C GLU A 48 7.446 10.452 -3.002 1.00 0.00 C ATOM 735 O GLU A 48 6.818 11.338 -3.588 1.00 0.00 O ATOM 736 CB GLU A 48 9.734 10.362 -4.116 1.00 0.00 C ATOM 737 CG GLU A 48 9.510 8.979 -4.748 1.00 0.00 C ATOM 738 CD GLU A 48 10.374 8.818 -6.009 1.00 0.00 C ATOM 739 OE1 GLU A 48 9.969 9.301 -7.092 1.00 0.00 O ATOM 740 OE2 GLU A 48 11.473 8.220 -5.921 1.00 0.00 O ATOM 0 H GLU A 48 10.090 8.971 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 48 9.127 11.624 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.438 11.127 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.800 10.494 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.758 8.199 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.457 8.855 -5.003 1.00 0.00 H new ATOM 747 N TYR A 49 6.839 9.365 -2.513 1.00 0.00 N ATOM 748 CA TYR A 49 5.392 9.130 -2.550 1.00 0.00 C ATOM 749 C TYR A 49 4.712 9.618 -1.256 1.00 0.00 C ATOM 750 O TYR A 49 5.040 9.169 -0.156 1.00 0.00 O ATOM 751 CB TYR A 49 5.125 7.638 -2.792 1.00 0.00 C ATOM 752 CG TYR A 49 5.709 7.116 -4.092 1.00 0.00 C ATOM 753 CD1 TYR A 49 5.126 7.491 -5.321 1.00 0.00 C ATOM 754 CD2 TYR A 49 6.845 6.283 -4.082 1.00 0.00 C ATOM 755 CE1 TYR A 49 5.668 7.025 -6.535 1.00 0.00 C ATOM 756 CE2 TYR A 49 7.397 5.829 -5.294 1.00 0.00 C ATOM 757 CZ TYR A 49 6.801 6.182 -6.525 1.00 0.00 C ATOM 758 OH TYR A 49 7.320 5.704 -7.690 1.00 0.00 O ATOM 0 H TYR A 49 7.354 8.605 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 49 4.961 9.704 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.539 7.065 -1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.049 7.466 -2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.261 8.138 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.293 5.993 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.217 7.312 -7.473 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.280 5.208 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 49 6.592 5.508 -8.316 1.00 0.00 H new ATOM 768 N ASP A 50 3.746 10.532 -1.388 1.00 0.00 N ATOM 769 CA ASP A 50 2.994 11.095 -0.261 1.00 0.00 C ATOM 770 C ASP A 50 1.997 10.074 0.312 1.00 0.00 C ATOM 771 O ASP A 50 1.048 9.666 -0.358 1.00 0.00 O ATOM 772 CB ASP A 50 2.285 12.382 -0.714 1.00 0.00 C ATOM 773 CG ASP A 50 1.381 12.986 0.371 1.00 0.00 C ATOM 774 OD1 ASP A 50 1.710 12.883 1.576 1.00 0.00 O ATOM 775 OD2 ASP A 50 0.332 13.560 0.006 1.00 0.00 O ATOM 0 H ASP A 50 3.460 10.907 -2.292 1.00 0.00 H new ATOM 0 HA ASP A 50 3.689 11.340 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.034 13.118 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.686 12.168 -1.599 1.00 0.00 H new ATOM 780 N LEU A 51 2.188 9.695 1.579 1.00 0.00 N ATOM 781 CA LEU A 51 1.339 8.721 2.271 1.00 0.00 C ATOM 782 C LEU A 51 -0.124 9.187 2.342 1.00 0.00 C ATOM 783 O LEU A 51 -1.039 8.388 2.165 1.00 0.00 O ATOM 784 CB LEU A 51 1.896 8.474 3.685 1.00 0.00 C ATOM 785 CG LEU A 51 3.375 8.048 3.792 1.00 0.00 C ATOM 786 CD1 LEU A 51 3.692 7.785 5.270 1.00 0.00 C ATOM 787 CD2 LEU A 51 3.724 6.803 2.963 1.00 0.00 C ATOM 0 H LEU A 51 2.944 10.059 2.159 1.00 0.00 H new ATOM 0 HA LEU A 51 1.351 7.791 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.764 9.387 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.287 7.704 4.159 1.00 0.00 H new ATOM 0 HG LEU A 51 3.978 8.859 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.734 7.482 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.522 8.694 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.046 6.992 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.780 6.566 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.120 5.960 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.520 6.998 1.910 1.00 0.00 H new ATOM 799 N LYS A 52 -0.354 10.490 2.517 1.00 0.00 N ATOM 800 CA LYS A 52 -1.691 11.103 2.521 1.00 0.00 C ATOM 801 C LYS A 52 -2.405 10.942 1.164 1.00 0.00 C ATOM 802 O LYS A 52 -3.593 10.625 1.136 1.00 0.00 O ATOM 803 CB LYS A 52 -1.590 12.585 2.926 1.00 0.00 C ATOM 804 CG LYS A 52 -0.890 12.801 4.279 1.00 0.00 C ATOM 805 CD LYS A 52 -0.874 14.276 4.715 1.00 0.00 C ATOM 806 CE LYS A 52 -0.227 15.247 3.710 1.00 0.00 C ATOM 807 NZ LYS A 52 1.198 14.934 3.431 1.00 0.00 N ATOM 0 H LYS A 52 0.397 11.165 2.663 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.299 10.578 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.047 13.129 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.592 13.011 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.393 12.207 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.135 12.435 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.900 14.596 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.343 14.353 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.788 15.221 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.300 16.263 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.672 15.780 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.667 14.637 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.254 14.166 2.732 1.00 0.00 H new ATOM 821 N ARG A 53 -1.684 11.054 0.038 1.00 0.00 N ATOM 822 CA ARG A 53 -2.216 10.743 -1.301 1.00 0.00 C ATOM 823 C ARG A 53 -2.552 9.252 -1.446 1.00 0.00 C ATOM 824 O ARG A 53 -3.585 8.926 -2.036 1.00 0.00 O ATOM 825 CB ARG A 53 -1.232 11.223 -2.388 1.00 0.00 C ATOM 826 CG ARG A 53 -1.663 10.915 -3.834 1.00 0.00 C ATOM 827 CD ARG A 53 -3.023 11.509 -4.225 1.00 0.00 C ATOM 828 NE ARG A 53 -3.389 11.126 -5.601 1.00 0.00 N ATOM 829 CZ ARG A 53 -4.550 11.358 -6.203 1.00 0.00 C ATOM 830 NH1 ARG A 53 -5.527 12.014 -5.609 1.00 0.00 N ATOM 831 NH2 ARG A 53 -4.744 10.925 -7.429 1.00 0.00 N ATOM 0 H ARG A 53 -0.712 11.364 0.029 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.154 11.283 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.098 12.300 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.261 10.762 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.903 11.296 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.699 9.834 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.789 11.162 -3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.987 12.595 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.680 10.634 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.404 12.361 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.406 12.175 -6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.005 10.414 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.633 11.100 -7.897 1.00 0.00 H new ATOM 845 N ILE A 54 -1.748 8.352 -0.863 1.00 0.00 N ATOM 846 CA ILE A 54 -2.035 6.902 -0.830 1.00 0.00 C ATOM 847 C ILE A 54 -3.338 6.638 -0.057 1.00 0.00 C ATOM 848 O ILE A 54 -4.174 5.881 -0.544 1.00 0.00 O ATOM 849 CB ILE A 54 -0.825 6.089 -0.306 1.00 0.00 C ATOM 850 CG1 ILE A 54 0.408 6.309 -1.215 1.00 0.00 C ATOM 851 CG2 ILE A 54 -1.190 4.591 -0.251 1.00 0.00 C ATOM 852 CD1 ILE A 54 1.706 5.657 -0.718 1.00 0.00 C ATOM 0 H ILE A 54 -0.876 8.605 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.194 6.548 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.576 6.432 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.182 5.921 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.575 7.381 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.337 4.022 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.038 4.448 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.453 4.244 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.511 5.867 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.964 6.061 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.565 4.579 -0.640 1.00 0.00 H new ATOM 864 N LEU A 55 -3.585 7.328 1.068 1.00 0.00 N ATOM 865 CA LEU A 55 -4.886 7.274 1.743 1.00 0.00 C ATOM 866 C LEU A 55 -6.010 7.740 0.809 1.00 0.00 C ATOM 867 O LEU A 55 -6.976 7.013 0.604 1.00 0.00 O ATOM 868 CB LEU A 55 -4.906 8.113 3.038 1.00 0.00 C ATOM 869 CG LEU A 55 -3.835 7.869 4.118 1.00 0.00 C ATOM 870 CD1 LEU A 55 -4.359 8.424 5.451 1.00 0.00 C ATOM 871 CD2 LEU A 55 -3.439 6.399 4.285 1.00 0.00 C ATOM 0 H LEU A 55 -2.900 7.928 1.527 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.053 6.231 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.844 9.162 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.880 7.968 3.506 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.929 8.382 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.615 8.261 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.551 9.492 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.284 7.913 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.681 6.313 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.316 5.816 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.038 6.021 3.345 1.00 0.00 H new ATOM 883 N LYS A 56 -5.883 8.930 0.211 1.00 0.00 N ATOM 884 CA LYS A 56 -6.911 9.514 -0.664 1.00 0.00 C ATOM 885 C LYS A 56 -7.275 8.604 -1.848 1.00 0.00 C ATOM 886 O LYS A 56 -8.456 8.343 -2.069 1.00 0.00 O ATOM 887 CB LYS A 56 -6.434 10.892 -1.167 1.00 0.00 C ATOM 888 CG LYS A 56 -6.433 11.998 -0.096 1.00 0.00 C ATOM 889 CD LYS A 56 -7.844 12.468 0.286 1.00 0.00 C ATOM 890 CE LYS A 56 -7.751 13.632 1.282 1.00 0.00 C ATOM 891 NZ LYS A 56 -9.094 14.146 1.660 1.00 0.00 N ATOM 0 H LYS A 56 -5.059 9.521 0.320 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.820 9.627 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.425 10.789 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.073 11.204 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.925 11.631 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.860 12.850 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.387 12.782 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.405 11.644 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.223 13.303 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.163 14.439 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.988 14.931 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.588 14.484 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.646 13.383 2.101 1.00 0.00 H new ATOM 905 N VAL A 57 -6.285 8.103 -2.592 1.00 0.00 N ATOM 906 CA VAL A 57 -6.527 7.290 -3.801 1.00 0.00 C ATOM 907 C VAL A 57 -7.131 5.912 -3.476 1.00 0.00 C ATOM 908 O VAL A 57 -8.019 5.455 -4.193 1.00 0.00 O ATOM 909 CB VAL A 57 -5.257 7.172 -4.669 1.00 0.00 C ATOM 910 CG1 VAL A 57 -4.181 6.319 -4.009 1.00 0.00 C ATOM 911 CG2 VAL A 57 -5.567 6.645 -6.078 1.00 0.00 C ATOM 0 H VAL A 57 -5.297 8.245 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.276 7.820 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.866 8.185 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.308 6.267 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.897 6.765 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.567 5.314 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.643 6.579 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.021 5.657 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.257 7.325 -6.577 1.00 0.00 H new ATOM 921 N LEU A 58 -6.711 5.271 -2.375 1.00 0.00 N ATOM 922 CA LEU A 58 -7.276 3.990 -1.938 1.00 0.00 C ATOM 923 C LEU A 58 -8.689 4.161 -1.353 1.00 0.00 C ATOM 924 O LEU A 58 -9.571 3.344 -1.619 1.00 0.00 O ATOM 925 CB LEU A 58 -6.299 3.316 -0.953 1.00 0.00 C ATOM 926 CG LEU A 58 -4.925 2.932 -1.550 1.00 0.00 C ATOM 927 CD1 LEU A 58 -4.014 2.381 -0.448 1.00 0.00 C ATOM 928 CD2 LEU A 58 -5.063 1.880 -2.659 1.00 0.00 C ATOM 0 H LEU A 58 -5.973 5.626 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.396 3.335 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.136 3.988 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.770 2.416 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.491 3.833 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.048 2.112 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.872 3.141 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.473 1.497 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.077 1.636 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.524 0.980 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.687 2.276 -3.460 1.00 0.00 H new ATOM 940 N LYS A 59 -8.966 5.228 -0.603 1.00 0.00 N ATOM 941 CA LYS A 59 -10.328 5.537 -0.131 1.00 0.00 C ATOM 942 C LYS A 59 -11.282 5.893 -1.288 1.00 0.00 C ATOM 943 O LYS A 59 -12.470 5.570 -1.229 1.00 0.00 O ATOM 944 CB LYS A 59 -10.260 6.660 0.915 1.00 0.00 C ATOM 945 CG LYS A 59 -9.612 6.178 2.224 1.00 0.00 C ATOM 946 CD LYS A 59 -9.487 7.334 3.227 1.00 0.00 C ATOM 947 CE LYS A 59 -8.675 6.887 4.449 1.00 0.00 C ATOM 948 NZ LYS A 59 -8.668 7.910 5.528 1.00 0.00 N ATOM 0 H LYS A 59 -8.262 5.902 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.743 4.642 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.690 7.498 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.265 7.028 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.210 5.377 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.626 5.763 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.003 8.187 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.478 7.663 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.089 5.956 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.650 6.677 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.165 7.536 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.188 8.768 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.647 8.142 5.793 1.00 0.00 H new ATOM 962 N LYS A 60 -10.770 6.507 -2.360 1.00 0.00 N ATOM 963 CA LYS A 60 -11.521 6.856 -3.574 1.00 0.00 C ATOM 964 C LYS A 60 -11.837 5.632 -4.458 1.00 0.00 C ATOM 965 O LYS A 60 -13.005 5.284 -4.636 1.00 0.00 O ATOM 966 CB LYS A 60 -10.719 7.934 -4.334 1.00 0.00 C ATOM 967 CG LYS A 60 -11.348 8.341 -5.678 1.00 0.00 C ATOM 968 CD LYS A 60 -10.489 9.405 -6.380 1.00 0.00 C ATOM 969 CE LYS A 60 -10.975 9.678 -7.811 1.00 0.00 C ATOM 970 NZ LYS A 60 -10.567 8.607 -8.760 1.00 0.00 N ATOM 0 H LYS A 60 -9.790 6.784 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.497 7.249 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.628 8.818 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.709 7.564 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.446 7.465 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.353 8.729 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.515 10.330 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.451 9.075 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.061 9.767 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.576 10.634 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.988 8.791 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.531 8.594 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.897 7.686 -8.407 1.00 0.00 H new ATOM 984 N ASP A 61 -10.812 4.988 -5.025 1.00 0.00 N ATOM 985 CA ASP A 61 -10.968 3.981 -6.087 1.00 0.00 C ATOM 986 C ASP A 61 -11.092 2.531 -5.591 1.00 0.00 C ATOM 987 O ASP A 61 -11.773 1.730 -6.235 1.00 0.00 O ATOM 988 CB ASP A 61 -9.801 4.123 -7.077 1.00 0.00 C ATOM 989 CG ASP A 61 -9.833 5.474 -7.808 1.00 0.00 C ATOM 990 OD1 ASP A 61 -10.850 5.781 -8.477 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.854 6.248 -7.709 1.00 0.00 O ATOM 0 H ASP A 61 -9.841 5.150 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.922 4.183 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.857 4.022 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.843 3.314 -7.806 1.00 0.00 H new ATOM 996 N PHE A 62 -10.490 2.192 -4.443 1.00 0.00 N ATOM 997 CA PHE A 62 -10.638 0.881 -3.798 1.00 0.00 C ATOM 998 C PHE A 62 -11.757 0.869 -2.735 1.00 0.00 C ATOM 999 O PHE A 62 -12.085 -0.198 -2.212 1.00 0.00 O ATOM 1000 CB PHE A 62 -9.289 0.445 -3.202 1.00 0.00 C ATOM 1001 CG PHE A 62 -8.219 0.097 -4.218 1.00 0.00 C ATOM 1002 CD1 PHE A 62 -7.510 1.108 -4.898 1.00 0.00 C ATOM 1003 CD2 PHE A 62 -7.897 -1.254 -4.447 1.00 0.00 C ATOM 1004 CE1 PHE A 62 -6.469 0.767 -5.779 1.00 0.00 C ATOM 1005 CE2 PHE A 62 -6.857 -1.590 -5.330 1.00 0.00 C ATOM 1006 CZ PHE A 62 -6.141 -0.582 -5.994 1.00 0.00 C ATOM 0 H PHE A 62 -9.879 2.828 -3.930 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.940 0.162 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.915 1.246 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.455 -0.421 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.767 2.145 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.450 -2.033 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.920 1.543 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.608 -2.627 -5.498 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.339 -0.843 -6.669 1.00 0.00 H new ATOM 1016 N ALA A 63 -12.333 2.037 -2.412 1.00 0.00 N ATOM 1017 CA ALA A 63 -13.434 2.233 -1.454 1.00 0.00 C ATOM 1018 C ALA A 63 -13.082 1.775 -0.016 1.00 0.00 C ATOM 1019 O ALA A 63 -13.964 1.383 0.755 1.00 0.00 O ATOM 1020 CB ALA A 63 -14.718 1.597 -2.017 1.00 0.00 C ATOM 0 H ALA A 63 -12.029 2.915 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.613 3.302 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.535 1.740 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.972 2.069 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.557 0.530 -2.174 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.788 1.781 0.333 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.268 1.279 1.610 1.00 0.00 C ATOM 1028 C CYS A 64 -11.388 2.317 2.751 1.00 0.00 C ATOM 1029 O CYS A 64 -12.012 3.371 2.600 1.00 0.00 O ATOM 1030 CB CYS A 64 -9.817 0.805 1.368 1.00 0.00 C ATOM 1031 SG CYS A 64 -8.695 2.227 1.375 1.00 0.00 S ATOM 0 H CYS A 64 -11.058 2.144 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.871 0.439 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.523 0.095 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.750 0.283 0.414 1.00 0.00 H new ATOM 0 HG CYS A 64 -8.269 2.438 2.585 1.00 0.00 H new ATOM 1037 N ASN A 65 -10.743 2.031 3.884 1.00 0.00 N ATOM 1038 CA ASN A 65 -10.516 2.972 4.983 1.00 0.00 C ATOM 1039 C ASN A 65 -9.104 2.750 5.562 1.00 0.00 C ATOM 1040 O ASN A 65 -8.572 1.641 5.473 1.00 0.00 O ATOM 1041 CB ASN A 65 -11.622 2.810 6.036 1.00 0.00 C ATOM 1042 CG ASN A 65 -11.546 3.856 7.147 1.00 0.00 C ATOM 1043 OD1 ASN A 65 -11.094 4.979 6.948 1.00 0.00 O ATOM 1044 ND2 ASN A 65 -11.969 3.510 8.348 1.00 0.00 N ATOM 0 H ASN A 65 -10.351 1.107 4.068 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.563 4.000 4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.594 2.877 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.554 1.815 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.921 4.178 9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.344 2.575 8.507 1.00 0.00 H new ATOM 1051 N GLY A 66 -8.478 3.788 6.129 1.00 0.00 N ATOM 1052 CA GLY A 66 -7.068 3.747 6.533 1.00 0.00 C ATOM 1053 C GLY A 66 -6.516 5.016 7.173 1.00 0.00 C ATOM 1054 O GLY A 66 -7.176 6.056 7.196 1.00 0.00 O ATOM 0 H GLY A 66 -8.935 4.680 6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.936 2.924 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.466 3.516 5.654 1.00 0.00 H new ATOM 1058 N ASN A 67 -5.287 4.915 7.679 1.00 0.00 N ATOM 1059 CA ASN A 67 -4.572 5.968 8.409 1.00 0.00 C ATOM 1060 C ASN A 67 -3.045 5.753 8.380 1.00 0.00 C ATOM 1061 O ASN A 67 -2.564 4.645 8.137 1.00 0.00 O ATOM 1062 CB ASN A 67 -5.094 6.012 9.859 1.00 0.00 C ATOM 1063 CG ASN A 67 -4.611 7.221 10.657 1.00 0.00 C ATOM 1064 OD1 ASN A 67 -4.315 8.279 10.113 1.00 0.00 O ATOM 1065 ND2 ASN A 67 -4.507 7.091 11.967 1.00 0.00 N ATOM 0 H ASN A 67 -4.737 4.061 7.589 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.761 6.923 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.184 6.013 9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.784 5.103 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.179 7.874 12.533 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.755 6.208 12.413 1.00 0.00 H new ATOM 1072 N ILE A 68 -2.267 6.797 8.674 1.00 0.00 N ATOM 1073 CA ILE A 68 -0.809 6.735 8.887 1.00 0.00 C ATOM 1074 C ILE A 68 -0.547 6.564 10.393 1.00 0.00 C ATOM 1075 O ILE A 68 -1.089 7.325 11.194 1.00 0.00 O ATOM 1076 CB ILE A 68 -0.149 8.023 8.344 1.00 0.00 C ATOM 1077 CG1 ILE A 68 -0.373 8.174 6.820 1.00 0.00 C ATOM 1078 CG2 ILE A 68 1.363 8.042 8.647 1.00 0.00 C ATOM 1079 CD1 ILE A 68 -0.208 9.618 6.332 1.00 0.00 C ATOM 0 H ILE A 68 -2.640 7.741 8.775 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.376 5.890 8.352 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.624 8.863 8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.332 7.534 6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.374 7.823 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.801 8.959 8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.519 7.999 9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.839 7.182 8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.377 9.660 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.931 10.258 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.801 9.964 6.554 1.00 0.00 H new ATOM 1091 N VAL A 69 0.275 5.586 10.780 1.00 0.00 N ATOM 1092 CA VAL A 69 0.596 5.267 12.187 1.00 0.00 C ATOM 1093 C VAL A 69 2.089 4.963 12.314 1.00 0.00 C ATOM 1094 O VAL A 69 2.660 4.316 11.442 1.00 0.00 O ATOM 1095 CB VAL A 69 -0.243 4.065 12.695 1.00 0.00 C ATOM 1096 CG1 VAL A 69 0.084 3.691 14.152 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.756 4.350 12.602 1.00 0.00 C ATOM 0 H VAL A 69 0.750 4.976 10.115 1.00 0.00 H new ATOM 0 HA VAL A 69 0.347 6.130 12.804 1.00 0.00 H new ATOM 0 HB VAL A 69 0.022 3.231 12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.531 2.844 14.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.137 3.422 14.231 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.122 4.542 14.801 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.312 3.486 12.966 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.000 5.221 13.210 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.027 4.544 11.564 1.00 0.00 H new ATOM 1107 N LYS A 70 2.728 5.413 13.398 1.00 0.00 N ATOM 1108 CA LYS A 70 4.123 5.082 13.717 1.00 0.00 C ATOM 1109 C LYS A 70 4.199 3.995 14.807 1.00 0.00 C ATOM 1110 O LYS A 70 3.843 4.224 15.965 1.00 0.00 O ATOM 1111 CB LYS A 70 4.868 6.376 14.086 1.00 0.00 C ATOM 1112 CG LYS A 70 6.383 6.144 14.222 1.00 0.00 C ATOM 1113 CD LYS A 70 7.166 7.450 14.429 1.00 0.00 C ATOM 1114 CE LYS A 70 7.123 8.334 13.173 1.00 0.00 C ATOM 1115 NZ LYS A 70 7.904 9.586 13.333 1.00 0.00 N ATOM 0 H LYS A 70 2.288 6.024 14.087 1.00 0.00 H new ATOM 0 HA LYS A 70 4.619 4.651 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.683 7.132 13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.474 6.767 15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.570 5.476 15.062 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.751 5.642 13.327 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.748 7.996 15.275 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.202 7.220 14.678 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.512 7.773 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.087 8.583 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.843 10.147 12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.518 10.137 14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.899 9.352 13.526 1.00 0.00 H new ATOM 1129 N ASP A 71 4.660 2.804 14.428 1.00 0.00 N ATOM 1130 CA ASP A 71 4.820 1.638 15.301 1.00 0.00 C ATOM 1131 C ASP A 71 6.212 1.633 15.981 1.00 0.00 C ATOM 1132 O ASP A 71 7.187 2.016 15.326 1.00 0.00 O ATOM 1133 CB ASP A 71 4.646 0.378 14.445 1.00 0.00 C ATOM 1134 CG ASP A 71 4.529 -0.886 15.302 1.00 0.00 C ATOM 1135 OD1 ASP A 71 5.587 -1.487 15.592 1.00 0.00 O ATOM 1136 OD2 ASP A 71 3.396 -1.242 15.700 1.00 0.00 O ATOM 0 H ASP A 71 4.944 2.616 13.467 1.00 0.00 H new ATOM 0 HA ASP A 71 4.072 1.670 16.093 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.755 0.480 13.826 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.494 0.280 13.768 1.00 0.00 H new ATOM 1141 N PRO A 72 6.345 1.173 17.246 1.00 0.00 N ATOM 1142 CA PRO A 72 7.636 1.053 17.930 1.00 0.00 C ATOM 1143 C PRO A 72 8.661 0.157 17.218 1.00 0.00 C ATOM 1144 O PRO A 72 9.861 0.405 17.336 1.00 0.00 O ATOM 1145 CB PRO A 72 7.318 0.477 19.316 1.00 0.00 C ATOM 1146 CG PRO A 72 5.874 0.898 19.561 1.00 0.00 C ATOM 1147 CD PRO A 72 5.262 0.852 18.164 1.00 0.00 C ATOM 0 HA PRO A 72 8.107 2.035 17.960 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.427 -0.607 19.333 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.986 0.877 20.079 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.366 0.219 20.247 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.813 1.896 19.996 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.848 -0.133 17.951 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.445 1.568 18.071 1.00 0.00 H new ATOM 1155 N GLU A 73 8.207 -0.876 16.495 1.00 0.00 N ATOM 1156 CA GLU A 73 9.062 -1.858 15.812 1.00 0.00 C ATOM 1157 C GLU A 73 8.979 -1.741 14.282 1.00 0.00 C ATOM 1158 O GLU A 73 10.008 -1.726 13.603 1.00 0.00 O ATOM 1159 CB GLU A 73 8.660 -3.283 16.231 1.00 0.00 C ATOM 1160 CG GLU A 73 8.809 -3.501 17.739 1.00 0.00 C ATOM 1161 CD GLU A 73 8.698 -4.988 18.105 1.00 0.00 C ATOM 1162 OE1 GLU A 73 9.739 -5.689 18.125 1.00 0.00 O ATOM 1163 OE2 GLU A 73 7.574 -5.467 18.387 1.00 0.00 O ATOM 0 H GLU A 73 7.212 -1.057 16.365 1.00 0.00 H new ATOM 0 HA GLU A 73 10.090 -1.649 16.109 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.627 -3.469 15.938 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.278 -4.006 15.697 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.773 -3.114 18.070 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.041 -2.937 18.267 1.00 0.00 H new ATOM 1170 N MET A 74 7.763 -1.653 13.733 1.00 0.00 N ATOM 1171 CA MET A 74 7.517 -1.566 12.281 1.00 0.00 C ATOM 1172 C MET A 74 7.767 -0.167 11.685 1.00 0.00 C ATOM 1173 O MET A 74 7.909 -0.050 10.465 1.00 0.00 O ATOM 1174 CB MET A 74 6.096 -2.058 11.943 1.00 0.00 C ATOM 1175 CG MET A 74 5.928 -3.559 12.198 1.00 0.00 C ATOM 1176 SD MET A 74 4.343 -4.218 11.616 1.00 0.00 S ATOM 1177 CE MET A 74 4.561 -5.947 12.109 1.00 0.00 C ATOM 0 H MET A 74 6.907 -1.640 14.288 1.00 0.00 H new ATOM 0 HA MET A 74 8.251 -2.222 11.813 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.370 -1.506 12.541 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.878 -1.842 10.897 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.739 -4.096 11.706 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.022 -3.751 13.267 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.676 -6.519 11.830 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.434 -6.362 11.606 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.704 -6.002 13.188 1.00 0.00 H new ATOM 1187 N GLY A 75 7.844 0.883 12.513 1.00 0.00 N ATOM 1188 CA GLY A 75 8.087 2.266 12.085 1.00 0.00 C ATOM 1189 C GLY A 75 6.839 2.939 11.513 1.00 0.00 C ATOM 1190 O GLY A 75 5.715 2.521 11.785 1.00 0.00 O ATOM 0 H GLY A 75 7.736 0.792 13.523 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.449 2.846 12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.876 2.275 11.333 1.00 0.00 H new ATOM 1194 N GLU A 76 7.028 4.016 10.750 1.00 0.00 N ATOM 1195 CA GLU A 76 5.952 4.759 10.108 1.00 0.00 C ATOM 1196 C GLU A 76 5.346 3.956 8.940 1.00 0.00 C ATOM 1197 O GLU A 76 6.031 3.611 7.974 1.00 0.00 O ATOM 1198 CB GLU A 76 6.486 6.135 9.687 1.00 0.00 C ATOM 1199 CG GLU A 76 5.348 7.148 9.637 1.00 0.00 C ATOM 1200 CD GLU A 76 5.870 8.554 9.308 1.00 0.00 C ATOM 1201 OE1 GLU A 76 6.254 9.289 10.250 1.00 0.00 O ATOM 1202 OE2 GLU A 76 5.908 8.929 8.113 1.00 0.00 O ATOM 0 H GLU A 76 7.953 4.401 10.559 1.00 0.00 H new ATOM 0 HA GLU A 76 5.131 4.918 10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.249 6.468 10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.963 6.065 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.619 6.843 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.830 7.165 10.596 1.00 0.00 H new ATOM 1209 N ILE A 77 4.053 3.640 9.049 1.00 0.00 N ATOM 1210 CA ILE A 77 3.302 2.730 8.171 1.00 0.00 C ATOM 1211 C ILE A 77 1.889 3.250 7.887 1.00 0.00 C ATOM 1212 O ILE A 77 1.282 3.945 8.708 1.00 0.00 O ATOM 1213 CB ILE A 77 3.215 1.301 8.784 1.00 0.00 C ATOM 1214 CG1 ILE A 77 2.648 1.288 10.228 1.00 0.00 C ATOM 1215 CG2 ILE A 77 4.571 0.581 8.706 1.00 0.00 C ATOM 1216 CD1 ILE A 77 2.532 -0.105 10.853 1.00 0.00 C ATOM 0 H ILE A 77 3.469 4.030 9.789 1.00 0.00 H new ATOM 0 HA ILE A 77 3.849 2.683 7.229 1.00 0.00 H new ATOM 0 HB ILE A 77 2.499 0.749 8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.287 1.904 10.861 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.662 1.753 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.480 -0.414 9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.878 0.494 7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.318 1.151 9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.127 -0.019 11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.868 -0.722 10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.518 -0.568 10.896 1.00 0.00 H new ATOM 1228 N ILE A 78 1.340 2.877 6.729 1.00 0.00 N ATOM 1229 CA ILE A 78 -0.090 3.053 6.429 1.00 0.00 C ATOM 1230 C ILE A 78 -0.816 1.783 6.868 1.00 0.00 C ATOM 1231 O ILE A 78 -0.427 0.684 6.462 1.00 0.00 O ATOM 1232 CB ILE A 78 -0.332 3.337 4.930 1.00 0.00 C ATOM 1233 CG1 ILE A 78 0.272 4.701 4.527 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -1.839 3.280 4.596 1.00 0.00 C ATOM 1235 CD1 ILE A 78 0.446 4.817 3.012 1.00 0.00 C ATOM 0 H ILE A 78 1.869 2.445 5.972 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.473 3.919 6.969 1.00 0.00 H new ATOM 0 HB ILE A 78 0.170 2.561 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.374 5.504 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.238 4.830 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.984 3.483 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.227 2.289 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.371 4.028 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.873 5.790 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.113 4.030 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.524 4.714 2.525 1.00 0.00 H new ATOM 1247 N GLN A 79 -1.867 1.941 7.666 1.00 0.00 N ATOM 1248 CA GLN A 79 -2.837 0.903 7.995 1.00 0.00 C ATOM 1249 C GLN A 79 -4.013 1.038 7.021 1.00 0.00 C ATOM 1250 O GLN A 79 -4.551 2.135 6.863 1.00 0.00 O ATOM 1251 CB GLN A 79 -3.338 1.080 9.441 1.00 0.00 C ATOM 1252 CG GLN A 79 -2.267 0.744 10.491 1.00 0.00 C ATOM 1253 CD GLN A 79 -2.755 0.880 11.938 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -3.872 1.290 12.232 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -1.932 0.533 12.906 1.00 0.00 N ATOM 0 H GLN A 79 -2.074 2.831 8.119 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.377 -0.082 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.668 2.109 9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.208 0.442 9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.920 -0.277 10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.409 1.400 10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.998 0.189 12.683 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.229 0.608 13.879 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.431 -0.065 6.396 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.643 -0.178 5.585 1.00 0.00 C ATOM 1266 C LEU A 80 -6.549 -1.235 6.235 1.00 0.00 C ATOM 1267 O LEU A 80 -6.073 -2.288 6.660 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.248 -0.565 4.139 1.00 0.00 C ATOM 1269 CG LEU A 80 -5.978 0.227 3.035 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -5.576 1.712 3.058 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -5.613 -0.357 1.665 1.00 0.00 C ATOM 0 H LEU A 80 -3.911 -0.941 6.444 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.185 0.766 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.174 -0.421 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.445 -1.627 3.995 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.050 0.149 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.106 2.245 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.835 2.144 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.502 1.801 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.128 0.201 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.536 -0.284 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.916 -1.403 1.623 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.848 -0.972 6.340 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.783 -1.884 7.002 1.00 0.00 C ATOM 1285 C GLN A 81 -9.119 -3.078 6.097 1.00 0.00 C ATOM 1286 O GLN A 81 -9.515 -2.894 4.946 1.00 0.00 O ATOM 1287 CB GLN A 81 -10.044 -1.121 7.452 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.737 -0.150 8.609 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.986 0.413 9.296 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.050 0.577 8.714 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.908 0.747 10.569 1.00 0.00 N ATOM 0 H GLN A 81 -8.283 -0.126 5.972 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.308 -2.290 7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.454 -0.565 6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.808 -1.832 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.128 -0.666 9.351 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.140 0.678 8.227 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.033 0.620 11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.723 1.132 11.046 1.00 0.00 H new ATOM 1300 N GLY A 82 -8.973 -4.304 6.623 1.00 0.00 N ATOM 1301 CA GLY A 82 -9.186 -5.567 5.902 1.00 0.00 C ATOM 1302 C GLY A 82 -7.898 -6.164 5.330 1.00 0.00 C ATOM 1303 O GLY A 82 -6.796 -5.723 5.650 1.00 0.00 O ATOM 0 H GLY A 82 -8.694 -4.447 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.644 -6.290 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.892 -5.398 5.089 1.00 0.00 H new ATOM 1307 N ASP A 83 -8.048 -7.194 4.499 1.00 0.00 N ATOM 1308 CA ASP A 83 -6.978 -7.944 3.830 1.00 0.00 C ATOM 1309 C ASP A 83 -6.761 -7.445 2.385 1.00 0.00 C ATOM 1310 O ASP A 83 -7.304 -7.985 1.420 1.00 0.00 O ATOM 1311 CB ASP A 83 -7.287 -9.454 3.912 1.00 0.00 C ATOM 1312 CG ASP A 83 -8.609 -9.899 3.251 1.00 0.00 C ATOM 1313 OD1 ASP A 83 -9.682 -9.345 3.595 1.00 0.00 O ATOM 1314 OD2 ASP A 83 -8.576 -10.853 2.437 1.00 0.00 O ATOM 0 H ASP A 83 -8.973 -7.551 4.258 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.032 -7.771 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.467 -10.001 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.310 -9.746 4.962 1.00 0.00 H new ATOM 1319 N GLN A 84 -5.969 -6.377 2.241 1.00 0.00 N ATOM 1320 CA GLN A 84 -5.801 -5.609 1.003 1.00 0.00 C ATOM 1321 C GLN A 84 -4.415 -5.789 0.361 1.00 0.00 C ATOM 1322 O GLN A 84 -4.027 -5.020 -0.522 1.00 0.00 O ATOM 1323 CB GLN A 84 -6.144 -4.127 1.277 1.00 0.00 C ATOM 1324 CG GLN A 84 -7.367 -3.860 2.188 1.00 0.00 C ATOM 1325 CD GLN A 84 -8.696 -4.493 1.759 1.00 0.00 C ATOM 1326 OE1 GLN A 84 -8.855 -5.100 0.709 1.00 0.00 O ATOM 1327 NE2 GLN A 84 -9.727 -4.360 2.560 1.00 0.00 N ATOM 0 H GLN A 84 -5.408 -6.011 3.010 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.496 -6.000 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.272 -3.652 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.317 -3.634 0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.129 -4.215 3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.510 -2.782 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.626 -3.859 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.630 -4.758 2.300 1.00 0.00 H new ATOM 1336 N ARG A 85 -3.662 -6.811 0.784 1.00 0.00 N ATOM 1337 CA ARG A 85 -2.249 -6.978 0.435 1.00 0.00 C ATOM 1338 C ARG A 85 -1.973 -7.081 -1.075 1.00 0.00 C ATOM 1339 O ARG A 85 -1.110 -6.373 -1.599 1.00 0.00 O ATOM 1340 CB ARG A 85 -1.629 -8.125 1.258 1.00 0.00 C ATOM 1341 CG ARG A 85 -2.302 -9.497 1.061 1.00 0.00 C ATOM 1342 CD ARG A 85 -1.689 -10.558 1.980 1.00 0.00 C ATOM 1343 NE ARG A 85 -2.546 -11.753 2.073 1.00 0.00 N ATOM 1344 CZ ARG A 85 -2.318 -12.807 2.847 1.00 0.00 C ATOM 1345 NH1 ARG A 85 -1.229 -12.932 3.565 1.00 0.00 N ATOM 1346 NH2 ARG A 85 -3.184 -13.786 2.936 1.00 0.00 N ATOM 0 H ARG A 85 -4.022 -7.553 1.385 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.741 -6.054 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.574 -8.212 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.675 -7.862 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.370 -9.412 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.197 -9.809 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.706 -10.842 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.540 -10.137 2.975 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.385 -11.772 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.517 -12.202 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.094 -13.759 4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.054 -13.748 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.989 -14.587 3.537 1.00 0.00 H new ATOM 1360 N ALA A 86 -2.750 -7.893 -1.794 1.00 0.00 N ATOM 1361 CA ALA A 86 -2.672 -8.018 -3.254 1.00 0.00 C ATOM 1362 C ALA A 86 -3.194 -6.758 -3.967 1.00 0.00 C ATOM 1363 O ALA A 86 -2.602 -6.295 -4.944 1.00 0.00 O ATOM 1364 CB ALA A 86 -3.469 -9.269 -3.646 1.00 0.00 C ATOM 0 H ALA A 86 -3.462 -8.491 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.633 -8.119 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.435 -9.398 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.034 -10.144 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.505 -9.156 -3.326 1.00 0.00 H new ATOM 1370 N LYS A 87 -4.265 -6.157 -3.437 1.00 0.00 N ATOM 1371 CA LYS A 87 -4.882 -4.939 -3.977 1.00 0.00 C ATOM 1372 C LYS A 87 -3.924 -3.739 -3.924 1.00 0.00 C ATOM 1373 O LYS A 87 -3.751 -3.044 -4.924 1.00 0.00 O ATOM 1374 CB LYS A 87 -6.177 -4.645 -3.202 1.00 0.00 C ATOM 1375 CG LYS A 87 -7.229 -5.755 -3.329 1.00 0.00 C ATOM 1376 CD LYS A 87 -8.515 -5.316 -2.621 1.00 0.00 C ATOM 1377 CE LYS A 87 -9.430 -6.518 -2.356 1.00 0.00 C ATOM 1378 NZ LYS A 87 -10.499 -6.169 -1.387 1.00 0.00 N ATOM 0 H LYS A 87 -4.737 -6.510 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.116 -5.105 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.937 -4.501 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.603 -3.708 -3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.431 -5.962 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.855 -6.679 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.268 -4.827 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.040 -4.582 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.878 -6.852 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.841 -7.350 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.042 -7.023 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.071 -5.777 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.134 -5.463 -1.810 1.00 0.00 H new ATOM 1392 N VAL A 88 -3.245 -3.533 -2.790 1.00 0.00 N ATOM 1393 CA VAL A 88 -2.246 -2.461 -2.642 1.00 0.00 C ATOM 1394 C VAL A 88 -0.992 -2.749 -3.482 1.00 0.00 C ATOM 1395 O VAL A 88 -0.454 -1.821 -4.078 1.00 0.00 O ATOM 1396 CB VAL A 88 -1.882 -2.203 -1.164 1.00 0.00 C ATOM 1397 CG1 VAL A 88 -0.794 -1.125 -1.017 1.00 0.00 C ATOM 1398 CG2 VAL A 88 -3.113 -1.726 -0.379 1.00 0.00 C ATOM 0 H VAL A 88 -3.369 -4.100 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.703 -1.547 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.512 -3.150 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.570 -0.976 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.108 -1.445 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.149 -0.189 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.836 -1.550 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.488 -0.801 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.890 -2.489 -0.423 1.00 0.00 H new ATOM 1408 N CYS A 89 -0.560 -4.012 -3.613 1.00 0.00 N ATOM 1409 CA CYS A 89 0.527 -4.376 -4.535 1.00 0.00 C ATOM 1410 C CYS A 89 0.193 -3.946 -5.976 1.00 0.00 C ATOM 1411 O CYS A 89 0.996 -3.279 -6.630 1.00 0.00 O ATOM 1412 CB CYS A 89 0.784 -5.886 -4.410 1.00 0.00 C ATOM 1413 SG CYS A 89 2.282 -6.336 -5.336 1.00 0.00 S ATOM 0 H CYS A 89 -0.947 -4.799 -3.092 1.00 0.00 H new ATOM 0 HA CYS A 89 1.442 -3.847 -4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.899 -6.159 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.072 -6.442 -4.792 1.00 0.00 H new ATOM 0 HG CYS A 89 2.626 -7.554 -5.039 1.00 0.00 H new ATOM 1419 N GLU A 90 -1.021 -4.250 -6.437 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.512 -3.834 -7.749 1.00 0.00 C ATOM 1421 C GLU A 90 -1.589 -2.303 -7.895 1.00 0.00 C ATOM 1422 O GLU A 90 -1.202 -1.786 -8.942 1.00 0.00 O ATOM 1423 CB GLU A 90 -2.867 -4.508 -8.019 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.260 -4.394 -9.494 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.548 -5.176 -9.787 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.655 -4.606 -9.639 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -4.461 -6.365 -10.177 1.00 0.00 O ATOM 0 H GLU A 90 -1.697 -4.797 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.796 -4.160 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.816 -5.559 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.635 -4.046 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.401 -3.345 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.451 -4.773 -10.119 1.00 0.00 H new ATOM 1434 N PHE A 91 -2.003 -1.556 -6.857 1.00 0.00 N ATOM 1435 CA PHE A 91 -2.020 -0.088 -6.874 1.00 0.00 C ATOM 1436 C PHE A 91 -0.617 0.491 -7.108 1.00 0.00 C ATOM 1437 O PHE A 91 -0.432 1.343 -7.979 1.00 0.00 O ATOM 1438 CB PHE A 91 -2.601 0.440 -5.549 1.00 0.00 C ATOM 1439 CG PHE A 91 -2.274 1.897 -5.287 1.00 0.00 C ATOM 1440 CD1 PHE A 91 -2.844 2.901 -6.090 1.00 0.00 C ATOM 1441 CD2 PHE A 91 -1.324 2.237 -4.306 1.00 0.00 C ATOM 1442 CE1 PHE A 91 -2.444 4.238 -5.927 1.00 0.00 C ATOM 1443 CE2 PHE A 91 -0.938 3.577 -4.132 1.00 0.00 C ATOM 1444 CZ PHE A 91 -1.494 4.578 -4.949 1.00 0.00 C ATOM 0 H PHE A 91 -2.336 -1.958 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.651 0.234 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.684 0.314 -5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.218 -0.164 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.588 2.645 -6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.891 1.466 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.868 5.007 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.216 3.838 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.191 5.607 -4.825 1.00 0.00 H new ATOM 1454 N MET A 92 0.367 0.007 -6.347 1.00 0.00 N ATOM 1455 CA MET A 92 1.765 0.450 -6.410 1.00 0.00 C ATOM 1456 C MET A 92 2.336 0.231 -7.818 1.00 0.00 C ATOM 1457 O MET A 92 2.961 1.126 -8.386 1.00 0.00 O ATOM 1458 CB MET A 92 2.569 -0.326 -5.350 1.00 0.00 C ATOM 1459 CG MET A 92 2.113 -0.038 -3.910 1.00 0.00 C ATOM 1460 SD MET A 92 2.804 1.424 -3.108 1.00 0.00 S ATOM 1461 CE MET A 92 1.645 1.496 -1.721 1.00 0.00 C ATOM 0 H MET A 92 0.211 -0.723 -5.651 1.00 0.00 H new ATOM 0 HA MET A 92 1.831 1.518 -6.201 1.00 0.00 H new ATOM 0 HB2 MET A 92 2.478 -1.394 -5.546 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.625 -0.072 -5.447 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.027 0.058 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.356 -0.907 -3.298 1.00 0.00 H new ATOM 0 HE1 MET A 92 1.925 2.312 -1.055 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.636 1.666 -2.098 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.674 0.554 -1.173 1.00 0.00 H new ATOM 1471 N ILE A 93 2.072 -0.934 -8.417 1.00 0.00 N ATOM 1472 CA ILE A 93 2.546 -1.283 -9.767 1.00 0.00 C ATOM 1473 C ILE A 93 1.794 -0.497 -10.854 1.00 0.00 C ATOM 1474 O ILE A 93 2.410 0.026 -11.780 1.00 0.00 O ATOM 1475 CB ILE A 93 2.465 -2.817 -9.971 1.00 0.00 C ATOM 1476 CG1 ILE A 93 3.333 -3.573 -8.936 1.00 0.00 C ATOM 1477 CG2 ILE A 93 2.926 -3.223 -11.385 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.948 -5.051 -8.801 1.00 0.00 C ATOM 0 H ILE A 93 1.519 -1.670 -7.978 1.00 0.00 H new ATOM 0 HA ILE A 93 3.592 -0.990 -9.862 1.00 0.00 H new ATOM 0 HB ILE A 93 1.418 -3.090 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.381 -3.501 -9.226 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.237 -3.087 -7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.856 -4.305 -11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.289 -2.742 -12.127 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.959 -2.909 -11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.591 -5.528 -8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.909 -5.129 -8.482 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.070 -5.548 -9.763 1.00 0.00 H new ATOM 1490 N SER A 94 0.471 -0.384 -10.747 1.00 0.00 N ATOM 1491 CA SER A 94 -0.387 0.231 -11.770 1.00 0.00 C ATOM 1492 C SER A 94 -0.309 1.767 -11.802 1.00 0.00 C ATOM 1493 O SER A 94 -0.169 2.362 -12.874 1.00 0.00 O ATOM 1494 CB SER A 94 -1.842 -0.202 -11.517 1.00 0.00 C ATOM 1495 OG SER A 94 -2.755 0.390 -12.432 1.00 0.00 O ATOM 0 H SER A 94 -0.047 -0.721 -9.936 1.00 0.00 H new ATOM 0 HA SER A 94 -0.028 -0.114 -12.740 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.912 -1.287 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.126 0.068 -10.500 1.00 0.00 H new ATOM 0 HG SER A 94 -3.664 0.084 -12.232 1.00 0.00 H new ATOM 1501 N GLN A 95 -0.415 2.424 -10.639 1.00 0.00 N ATOM 1502 CA GLN A 95 -0.598 3.877 -10.546 1.00 0.00 C ATOM 1503 C GLN A 95 0.695 4.630 -10.212 1.00 0.00 C ATOM 1504 O GLN A 95 0.912 5.717 -10.750 1.00 0.00 O ATOM 1505 CB GLN A 95 -1.680 4.182 -9.494 1.00 0.00 C ATOM 1506 CG GLN A 95 -3.052 3.549 -9.798 1.00 0.00 C ATOM 1507 CD GLN A 95 -3.647 4.019 -11.128 1.00 0.00 C ATOM 1508 OE1 GLN A 95 -4.075 5.158 -11.279 1.00 0.00 O ATOM 1509 NE2 GLN A 95 -3.686 3.188 -12.152 1.00 0.00 N ATOM 0 H GLN A 95 -0.376 1.959 -9.732 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.909 4.230 -11.529 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.336 3.828 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.800 5.262 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.949 2.464 -9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.744 3.791 -8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.335 2.236 -12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.067 3.498 -13.046 1.00 0.00 H new ATOM 1518 N LEU A 96 1.564 4.071 -9.356 1.00 0.00 N ATOM 1519 CA LEU A 96 2.848 4.697 -8.993 1.00 0.00 C ATOM 1520 C LEU A 96 4.004 4.265 -9.912 1.00 0.00 C ATOM 1521 O LEU A 96 5.068 4.888 -9.890 1.00 0.00 O ATOM 1522 CB LEU A 96 3.177 4.410 -7.515 1.00 0.00 C ATOM 1523 CG LEU A 96 2.073 4.785 -6.500 1.00 0.00 C ATOM 1524 CD1 LEU A 96 2.590 4.542 -5.078 1.00 0.00 C ATOM 1525 CD2 LEU A 96 1.617 6.247 -6.630 1.00 0.00 C ATOM 0 H LEU A 96 1.399 3.175 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 96 2.735 5.772 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.396 3.347 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.086 4.951 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 96 1.209 4.156 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.814 4.805 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.852 3.490 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.472 5.157 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.841 6.453 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.466 6.909 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.220 6.417 -7.631 1.00 0.00 H new ATOM 1537 N GLY A 97 3.811 3.212 -10.719 1.00 0.00 N ATOM 1538 CA GLY A 97 4.813 2.677 -11.651 1.00 0.00 C ATOM 1539 C GLY A 97 5.893 1.829 -10.973 1.00 0.00 C ATOM 1540 O GLY A 97 6.941 1.581 -11.575 1.00 0.00 O ATOM 0 H GLY A 97 2.931 2.696 -10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.309 2.072 -12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.290 3.506 -12.174 1.00 0.00 H new ATOM 1544 N LEU A 98 5.668 1.395 -9.725 1.00 0.00 N ATOM 1545 CA LEU A 98 6.641 0.631 -8.944 1.00 0.00 C ATOM 1546 C LEU A 98 6.824 -0.775 -9.534 1.00 0.00 C ATOM 1547 O LEU A 98 5.892 -1.367 -10.076 1.00 0.00 O ATOM 1548 CB LEU A 98 6.218 0.602 -7.464 1.00 0.00 C ATOM 1549 CG LEU A 98 6.437 1.962 -6.762 1.00 0.00 C ATOM 1550 CD1 LEU A 98 5.568 2.064 -5.505 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.919 2.138 -6.394 1.00 0.00 C ATOM 0 H LEU A 98 4.795 1.568 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 98 7.614 1.120 -8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.166 0.326 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.785 -0.169 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 98 6.147 2.756 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.735 3.028 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.517 1.974 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.832 1.263 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.060 3.100 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.224 1.337 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.525 2.103 -7.299 1.00 0.00 H new ATOM 1563 N GLN A 99 8.045 -1.303 -9.468 1.00 0.00 N ATOM 1564 CA GLN A 99 8.389 -2.576 -10.103 1.00 0.00 C ATOM 1565 C GLN A 99 7.967 -3.750 -9.210 1.00 0.00 C ATOM 1566 O GLN A 99 8.227 -3.742 -8.007 1.00 0.00 O ATOM 1567 CB GLN A 99 9.894 -2.605 -10.422 1.00 0.00 C ATOM 1568 CG GLN A 99 10.346 -1.487 -11.385 1.00 0.00 C ATOM 1569 CD GLN A 99 9.626 -1.524 -12.736 1.00 0.00 C ATOM 1570 OE1 GLN A 99 9.919 -2.341 -13.602 1.00 0.00 O ATOM 1571 NE2 GLN A 99 8.644 -0.675 -12.973 1.00 0.00 N ATOM 0 H GLN A 99 8.822 -0.863 -8.975 1.00 0.00 H new ATOM 0 HA GLN A 99 7.845 -2.676 -11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.455 -2.520 -9.492 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.145 -3.572 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.172 -0.519 -10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.420 -1.572 -11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.383 0.013 -12.267 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.146 -0.707 -13.862 1.00 0.00 H new ATOM 1580 N LYS A 100 7.335 -4.779 -9.793 1.00 0.00 N ATOM 1581 CA LYS A 100 6.794 -5.933 -9.053 1.00 0.00 C ATOM 1582 C LYS A 100 7.841 -6.577 -8.122 1.00 0.00 C ATOM 1583 O LYS A 100 7.555 -6.852 -6.955 1.00 0.00 O ATOM 1584 CB LYS A 100 6.231 -6.942 -10.077 1.00 0.00 C ATOM 1585 CG LYS A 100 5.788 -8.304 -9.501 1.00 0.00 C ATOM 1586 CD LYS A 100 4.659 -8.219 -8.462 1.00 0.00 C ATOM 1587 CE LYS A 100 4.350 -9.618 -7.913 1.00 0.00 C ATOM 1588 NZ LYS A 100 3.262 -9.586 -6.899 1.00 0.00 N ATOM 0 H LYS A 100 7.183 -4.836 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 100 5.994 -5.595 -8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.377 -6.485 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.990 -7.120 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.462 -8.943 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.650 -8.789 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.951 -7.555 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.765 -7.792 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.063 -10.275 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.250 -10.040 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.583 -10.058 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.015 -8.598 -6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.426 -10.079 -7.272 1.00 0.00 H new ATOM 1602 N LYS A 101 9.070 -6.768 -8.615 1.00 0.00 N ATOM 1603 CA LYS A 101 10.186 -7.382 -7.876 1.00 0.00 C ATOM 1604 C LYS A 101 10.603 -6.623 -6.595 1.00 0.00 C ATOM 1605 O LYS A 101 11.172 -7.230 -5.688 1.00 0.00 O ATOM 1606 CB LYS A 101 11.368 -7.585 -8.844 1.00 0.00 C ATOM 1607 CG LYS A 101 12.025 -6.273 -9.309 1.00 0.00 C ATOM 1608 CD LYS A 101 13.130 -6.536 -10.340 1.00 0.00 C ATOM 1609 CE LYS A 101 13.771 -5.206 -10.761 1.00 0.00 C ATOM 1610 NZ LYS A 101 14.864 -5.411 -11.748 1.00 0.00 N ATOM 0 H LYS A 101 9.326 -6.494 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 101 9.840 -8.345 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.121 -8.205 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.019 -8.135 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.268 -5.619 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.444 -5.749 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.886 -7.197 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.715 -7.043 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.010 -4.555 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.166 -4.697 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.273 -4.491 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.602 -6.012 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.482 -5.874 -12.598 1.00 0.00 H new ATOM 1624 N ASN A 102 10.292 -5.326 -6.490 1.00 0.00 N ATOM 1625 CA ASN A 102 10.570 -4.503 -5.305 1.00 0.00 C ATOM 1626 C ASN A 102 9.515 -4.671 -4.195 1.00 0.00 C ATOM 1627 O ASN A 102 9.727 -4.182 -3.085 1.00 0.00 O ATOM 1628 CB ASN A 102 10.667 -3.016 -5.706 1.00 0.00 C ATOM 1629 CG ASN A 102 11.889 -2.678 -6.558 1.00 0.00 C ATOM 1630 OD1 ASN A 102 12.146 -3.266 -7.600 1.00 0.00 O ATOM 1631 ND2 ASN A 102 12.678 -1.704 -6.146 1.00 0.00 N ATOM 0 H ASN A 102 9.832 -4.809 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 102 11.521 -4.848 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.767 -2.739 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.688 -2.408 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.497 -1.445 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.469 -1.211 -5.278 1.00 0.00 H new ATOM 1638 N ILE A 103 8.376 -5.326 -4.457 1.00 0.00 N ATOM 1639 CA ILE A 103 7.275 -5.471 -3.488 1.00 0.00 C ATOM 1640 C ILE A 103 7.218 -6.902 -2.947 1.00 0.00 C ATOM 1641 O ILE A 103 7.090 -7.870 -3.697 1.00 0.00 O ATOM 1642 CB ILE A 103 5.919 -5.035 -4.093 1.00 0.00 C ATOM 1643 CG1 ILE A 103 6.040 -3.663 -4.801 1.00 0.00 C ATOM 1644 CG2 ILE A 103 4.864 -4.993 -2.966 1.00 0.00 C ATOM 1645 CD1 ILE A 103 4.718 -3.122 -5.349 1.00 0.00 C ATOM 0 H ILE A 103 8.189 -5.775 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 103 7.476 -4.803 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 103 5.610 -5.755 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.453 -2.939 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.752 -3.752 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.903 -4.687 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.769 -5.983 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.175 -4.279 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.890 -2.159 -5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.312 -3.823 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.009 -2.998 -4.531 1.00 0.00 H new ATOM 1657 N LYS A 104 7.275 -7.022 -1.623 1.00 0.00 N ATOM 1658 CA LYS A 104 7.058 -8.253 -0.866 1.00 0.00 C ATOM 1659 C LYS A 104 5.641 -8.270 -0.260 1.00 0.00 C ATOM 1660 O LYS A 104 5.190 -7.284 0.330 1.00 0.00 O ATOM 1661 CB LYS A 104 8.108 -8.357 0.253 1.00 0.00 C ATOM 1662 CG LYS A 104 9.582 -8.352 -0.179 1.00 0.00 C ATOM 1663 CD LYS A 104 9.927 -9.484 -1.158 1.00 0.00 C ATOM 1664 CE LYS A 104 11.448 -9.663 -1.211 1.00 0.00 C ATOM 1665 NZ LYS A 104 11.851 -10.623 -2.266 1.00 0.00 N ATOM 0 H LYS A 104 7.484 -6.226 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 104 7.156 -9.105 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.953 -7.527 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.920 -9.274 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.815 -7.394 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.214 -8.439 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.451 -10.412 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.542 -9.251 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.922 -8.699 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.807 -10.014 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.875 -10.796 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.340 -11.519 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.621 -10.229 -3.200 1.00 0.00 H new ATOM 1679 N ILE A 105 4.947 -9.404 -0.371 1.00 0.00 N ATOM 1680 CA ILE A 105 3.636 -9.646 0.256 1.00 0.00 C ATOM 1681 C ILE A 105 3.818 -10.625 1.423 1.00 0.00 C ATOM 1682 O ILE A 105 4.398 -11.700 1.253 1.00 0.00 O ATOM 1683 CB ILE A 105 2.623 -10.153 -0.801 1.00 0.00 C ATOM 1684 CG1 ILE A 105 2.346 -9.040 -1.843 1.00 0.00 C ATOM 1685 CG2 ILE A 105 1.316 -10.601 -0.123 1.00 0.00 C ATOM 1686 CD1 ILE A 105 1.381 -9.448 -2.965 1.00 0.00 C ATOM 0 H ILE A 105 5.284 -10.201 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 105 3.226 -8.719 0.657 1.00 0.00 H new ATOM 0 HB ILE A 105 3.050 -11.014 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.938 -8.170 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.292 -8.732 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.616 -10.954 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.528 -11.407 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.877 -9.759 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.243 -8.611 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.794 -10.297 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.419 -9.726 -2.534 1.00 0.00 H new ATOM 1698 N HIS A 106 3.312 -10.252 2.598 1.00 0.00 N ATOM 1699 CA HIS A 106 3.352 -11.045 3.835 1.00 0.00 C ATOM 1700 C HIS A 106 1.933 -11.222 4.437 1.00 0.00 C ATOM 1701 O HIS A 106 0.928 -11.058 3.739 1.00 0.00 O ATOM 1702 CB HIS A 106 4.330 -10.370 4.819 1.00 0.00 C ATOM 1703 CG HIS A 106 5.684 -10.018 4.254 1.00 0.00 C ATOM 1704 ND1 HIS A 106 6.814 -10.841 4.282 1.00 0.00 N ATOM 1705 CD2 HIS A 106 6.030 -8.808 3.727 1.00 0.00 C ATOM 1706 CE1 HIS A 106 7.810 -10.102 3.763 1.00 0.00 C ATOM 1707 NE2 HIS A 106 7.372 -8.876 3.438 1.00 0.00 N ATOM 0 H HIS A 106 2.844 -9.355 2.723 1.00 0.00 H new ATOM 0 HA HIS A 106 3.711 -12.051 3.620 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.866 -9.459 5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.473 -11.033 5.673 1.00 0.00 H new ATOM 0 HD1 HIS A 106 6.871 -11.800 4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.377 -7.962 3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.824 -10.448 3.626 1.00 0.00 H new ATOM 1715 N GLY A 107 1.826 -11.534 5.736 1.00 0.00 N ATOM 1716 CA GLY A 107 0.557 -11.713 6.459 1.00 0.00 C ATOM 1717 C GLY A 107 0.188 -13.183 6.668 1.00 0.00 C ATOM 1718 O GLY A 107 1.061 -14.043 6.777 1.00 0.00 O ATOM 0 H GLY A 107 2.643 -11.673 6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.626 -11.220 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.242 -11.219 5.906 1.00 0.00 H new ATOM 1722 N PHE A 108 -1.114 -13.461 6.767 1.00 0.00 N ATOM 1723 CA PHE A 108 -1.660 -14.794 7.087 1.00 0.00 C ATOM 1724 C PHE A 108 -1.584 -15.826 5.937 1.00 0.00 C ATOM 1725 O PHE A 108 -1.413 -17.029 6.241 1.00 0.00 O ATOM 1726 CB PHE A 108 -3.088 -14.643 7.641 1.00 0.00 C ATOM 1727 CG PHE A 108 -4.159 -14.217 6.651 1.00 0.00 C ATOM 1728 CD1 PHE A 108 -4.800 -15.170 5.835 1.00 0.00 C ATOM 1729 CD2 PHE A 108 -4.554 -12.868 6.578 1.00 0.00 C ATOM 1730 CE1 PHE A 108 -5.811 -14.775 4.939 1.00 0.00 C ATOM 1731 CE2 PHE A 108 -5.569 -12.474 5.687 1.00 0.00 C ATOM 1732 CZ PHE A 108 -6.193 -13.425 4.862 1.00 0.00 C ATOM 1733 OXT PHE A 108 -1.693 -15.432 4.752 1.00 0.00 O ATOM 0 H PHE A 108 -1.837 -12.756 6.625 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.011 -15.220 7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.387 -15.596 8.077 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.064 -13.915 8.452 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.514 -16.210 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.076 -12.133 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.293 -15.509 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.869 -11.438 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.964 -13.119 4.171 1.00 0.00 H new TER 1743 PHE A 108