USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 857 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 21 THR OG1 : rot 139:sc= 0.388 USER MOD Set 1.2: A 23 HIS :FLIP no HD1:sc= 0.347 F(o=-3,f=0.73) USER MOD Set 2.1: A 14 HIS : no HE2:sc= 0.425 K(o=0.43,f=-2.3!) USER MOD Set 2.2: A 17 SER OG : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.944 (180deg=-2.82) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -85:sc=-0.00683 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00135 USER MOD Single : A 6 CYS SG : rot -105:sc= -3.91! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.03) USER MOD Single : A 26 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.6!) USER MOD Single : A 28 THR OG1 : rot 80:sc= 0.0932 USER MOD Single : A 29 ASN : amide:sc= 0.477 K(o=0.48,f=-0.33) USER MOD Single : A 30 THR OG1 : rot 70:sc= 0.909 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 88:sc= 0.911 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.614 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00774 USER MOD Single : A 45 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.7) USER MOD Single : A 49 THR OG1 : rot -79:sc= -0.0704 USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 53 MET CE :methyl -154:sc= 0 (180deg=-0.449) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0255 (180deg=-0.281) USER MOD Single : A 62 GLN : amide:sc= -1.45 K(o=-1.5,f=-6.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.136 USER MOD Single : A 68 SER OG : rot 69:sc= 0.307 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 73:sc= 1.63 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS :FLIP no HE2:sc= 0.144 F(o=-0.6,f=0.14) USER MOD Single : A 102 HIS :FLIP no HD1:sc= 0.0607 F(o=-1,f=0.061) USER MOD Single : A 103 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 104 HIS :FLIP no HE2:sc= -0.0956 F(o=-0.81,f=-0.096) USER MOD Single : A 105 HIS : no HD1:sc=-0.00296 X(o=-0.003,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.097 3.592 5.201 1.00 0.00 N ATOM 2 CA MET A 1 -14.021 3.622 4.188 1.00 0.00 C ATOM 3 C MET A 1 -13.091 2.418 4.332 1.00 0.00 C ATOM 4 O MET A 1 -12.428 2.247 5.359 1.00 0.00 O ATOM 5 CB MET A 1 -13.203 4.907 4.315 1.00 0.00 C ATOM 6 CG MET A 1 -12.151 5.059 3.228 1.00 0.00 C ATOM 7 SD MET A 1 -12.649 6.190 1.912 1.00 0.00 S ATOM 8 CE MET A 1 -14.138 5.404 1.297 1.00 0.00 C ATOM 0 H1 MET A 1 -15.712 4.421 5.079 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.658 2.724 5.085 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.678 3.609 6.153 1.00 0.00 H new ATOM 0 HA MET A 1 -14.494 3.585 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.877 5.763 4.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.714 4.924 5.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.224 5.418 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.939 4.081 2.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.314 5.713 0.267 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.020 4.321 1.336 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.987 5.699 1.914 1.00 0.00 H new ATOM 20 N THR A 2 -13.035 1.591 3.303 1.00 0.00 N ATOM 21 CA THR A 2 -12.128 0.457 3.288 1.00 0.00 C ATOM 22 C THR A 2 -10.852 0.816 2.541 1.00 0.00 C ATOM 23 O THR A 2 -10.778 1.867 1.892 1.00 0.00 O ATOM 24 CB THR A 2 -12.786 -0.784 2.650 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.245 -0.472 1.332 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.956 -1.275 3.498 1.00 0.00 C ATOM 0 H THR A 2 -13.609 1.684 2.465 1.00 0.00 H new ATOM 0 HA THR A 2 -11.882 0.212 4.321 1.00 0.00 H new ATOM 0 HB THR A 2 -12.039 -1.576 2.596 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.141 -0.078 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.404 -2.151 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.598 -1.540 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.703 -0.485 3.580 1.00 0.00 H new ATOM 34 N PHE A 3 -9.849 -0.044 2.642 1.00 0.00 N ATOM 35 CA PHE A 3 -8.560 0.205 2.015 1.00 0.00 C ATOM 36 C PHE A 3 -8.712 0.298 0.502 1.00 0.00 C ATOM 37 O PHE A 3 -8.144 1.187 -0.131 1.00 0.00 O ATOM 38 CB PHE A 3 -7.568 -0.899 2.389 1.00 0.00 C ATOM 39 CG PHE A 3 -6.169 -0.647 1.895 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.354 0.278 2.529 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.671 -1.332 0.799 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.069 0.513 2.079 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.387 -1.101 0.344 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.585 -0.178 0.986 1.00 0.00 C ATOM 0 H PHE A 3 -9.904 -0.924 3.155 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.173 1.157 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.547 -1.005 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.922 -1.847 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.728 0.821 3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.294 -2.055 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.444 1.236 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.011 -1.641 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.580 0.003 0.633 1.00 0.00 H new ATOM 54 N SER A 4 -9.503 -0.607 -0.068 1.00 0.00 N ATOM 55 CA SER A 4 -9.733 -0.618 -1.510 1.00 0.00 C ATOM 56 C SER A 4 -10.381 0.689 -1.973 1.00 0.00 C ATOM 57 O SER A 4 -9.946 1.298 -2.954 1.00 0.00 O ATOM 58 CB SER A 4 -10.619 -1.801 -1.896 1.00 0.00 C ATOM 59 OG SER A 4 -10.060 -3.020 -1.445 1.00 0.00 O ATOM 0 H SER A 4 -9.994 -1.340 0.444 1.00 0.00 H new ATOM 0 HA SER A 4 -8.766 -0.717 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.613 -1.671 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.741 -1.831 -2.979 1.00 0.00 H new ATOM 0 HG SER A 4 -10.645 -3.763 -1.702 1.00 0.00 H new ATOM 65 N GLU A 5 -11.413 1.117 -1.251 1.00 0.00 N ATOM 66 CA GLU A 5 -12.134 2.339 -1.580 1.00 0.00 C ATOM 67 C GLU A 5 -11.215 3.552 -1.519 1.00 0.00 C ATOM 68 O GLU A 5 -11.203 4.384 -2.429 1.00 0.00 O ATOM 69 CB GLU A 5 -13.294 2.529 -0.610 1.00 0.00 C ATOM 70 CG GLU A 5 -14.374 1.470 -0.728 1.00 0.00 C ATOM 71 CD GLU A 5 -15.431 1.615 0.341 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.100 1.425 1.529 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.589 1.927 0.000 1.00 0.00 O ATOM 0 H GLU A 5 -11.769 0.630 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.514 2.246 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.907 2.527 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.740 3.509 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.841 1.537 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.921 0.481 -0.657 1.00 0.00 H new ATOM 80 N CYS A 6 -10.447 3.637 -0.442 1.00 0.00 N ATOM 81 CA CYS A 6 -9.550 4.763 -0.219 1.00 0.00 C ATOM 82 C CYS A 6 -8.473 4.814 -1.289 1.00 0.00 C ATOM 83 O CYS A 6 -8.184 5.875 -1.849 1.00 0.00 O ATOM 84 CB CYS A 6 -8.895 4.650 1.152 1.00 0.00 C ATOM 85 SG CYS A 6 -8.104 6.174 1.710 1.00 0.00 S ATOM 0 H CYS A 6 -10.427 2.934 0.297 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.139 5.679 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.649 4.355 1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.150 3.854 1.124 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.814 6.058 1.603 1.00 0.00 H new ATOM 91 N ALA A 7 -7.876 3.658 -1.556 1.00 0.00 N ATOM 92 CA ALA A 7 -6.867 3.538 -2.601 1.00 0.00 C ATOM 93 C ALA A 7 -7.422 4.021 -3.931 1.00 0.00 C ATOM 94 O ALA A 7 -6.785 4.801 -4.636 1.00 0.00 O ATOM 95 CB ALA A 7 -6.388 2.099 -2.719 1.00 0.00 C ATOM 0 H ALA A 7 -8.074 2.788 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.016 4.163 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.635 2.029 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.954 1.781 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.231 1.454 -2.967 1.00 0.00 H new ATOM 101 N ALA A 8 -8.632 3.574 -4.247 1.00 0.00 N ATOM 102 CA ALA A 8 -9.297 3.973 -5.477 1.00 0.00 C ATOM 103 C ALA A 8 -9.490 5.486 -5.536 1.00 0.00 C ATOM 104 O ALA A 8 -9.287 6.098 -6.580 1.00 0.00 O ATOM 105 CB ALA A 8 -10.635 3.264 -5.613 1.00 0.00 C ATOM 0 H ALA A 8 -9.172 2.933 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.659 3.682 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.119 3.574 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.475 2.186 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.271 3.523 -4.767 1.00 0.00 H new ATOM 111 N LEU A 9 -9.881 6.083 -4.411 1.00 0.00 N ATOM 112 CA LEU A 9 -10.089 7.529 -4.337 1.00 0.00 C ATOM 113 C LEU A 9 -8.799 8.282 -4.640 1.00 0.00 C ATOM 114 O LEU A 9 -8.802 9.250 -5.401 1.00 0.00 O ATOM 115 CB LEU A 9 -10.612 7.930 -2.955 1.00 0.00 C ATOM 116 CG LEU A 9 -12.012 7.421 -2.613 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.385 7.821 -1.197 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.027 7.972 -3.598 1.00 0.00 C ATOM 0 H LEU A 9 -10.060 5.588 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.833 7.796 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.916 7.563 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.612 9.018 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.014 6.333 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.384 7.452 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.669 7.391 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.370 8.907 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.020 7.602 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.023 9.061 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.768 7.650 -4.606 1.00 0.00 H new ATOM 130 N TYR A 10 -7.701 7.822 -4.051 1.00 0.00 N ATOM 131 CA TYR A 10 -6.384 8.405 -4.299 1.00 0.00 C ATOM 132 C TYR A 10 -6.056 8.341 -5.786 1.00 0.00 C ATOM 133 O TYR A 10 -5.623 9.326 -6.392 1.00 0.00 O ATOM 134 CB TYR A 10 -5.320 7.648 -3.496 1.00 0.00 C ATOM 135 CG TYR A 10 -3.901 8.126 -3.727 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.408 9.240 -3.066 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.057 7.459 -4.602 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.112 9.677 -3.266 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.760 7.887 -4.808 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.292 8.997 -4.139 1.00 0.00 C ATOM 141 OH TYR A 10 0.004 9.424 -4.342 1.00 0.00 O ATOM 0 H TYR A 10 -7.696 7.042 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.393 9.448 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.552 7.737 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.379 6.589 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.048 9.777 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.420 6.590 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.745 10.546 -2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.115 7.354 -5.491 1.00 0.00 H new ATOM 0 HH TYR A 10 0.446 8.833 -4.987 1.00 0.00 H new ATOM 151 N ILE A 11 -6.284 7.169 -6.359 1.00 0.00 N ATOM 152 CA ILE A 11 -6.057 6.935 -7.776 1.00 0.00 C ATOM 153 C ILE A 11 -6.915 7.867 -8.630 1.00 0.00 C ATOM 154 O ILE A 11 -6.412 8.524 -9.536 1.00 0.00 O ATOM 155 CB ILE A 11 -6.354 5.464 -8.139 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.387 4.540 -7.396 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.263 5.240 -9.644 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.732 3.074 -7.511 1.00 0.00 C ATOM 0 H ILE A 11 -6.632 6.354 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.008 7.145 -7.984 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.374 5.231 -7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.380 4.698 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.371 4.818 -6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.477 4.195 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.988 5.877 -10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.259 5.488 -9.989 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.001 2.484 -6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.726 2.901 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.719 2.778 -8.560 1.00 0.00 H new ATOM 170 N LYS A 12 -8.204 7.935 -8.313 1.00 0.00 N ATOM 171 CA LYS A 12 -9.142 8.777 -9.051 1.00 0.00 C ATOM 172 C LYS A 12 -8.763 10.252 -8.948 1.00 0.00 C ATOM 173 O LYS A 12 -8.860 11.000 -9.921 1.00 0.00 O ATOM 174 CB LYS A 12 -10.564 8.580 -8.515 1.00 0.00 C ATOM 175 CG LYS A 12 -11.115 7.178 -8.716 1.00 0.00 C ATOM 176 CD LYS A 12 -12.382 6.965 -7.905 1.00 0.00 C ATOM 177 CE LYS A 12 -12.937 5.560 -8.078 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.142 5.331 -7.237 1.00 0.00 N ATOM 0 H LYS A 12 -8.626 7.414 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.099 8.480 -10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.575 8.814 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.227 9.293 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.325 7.015 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.365 6.444 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.173 7.145 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.134 7.693 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.189 5.396 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.169 4.832 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.489 4.362 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.896 5.462 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.885 6.009 -7.503 1.00 0.00 H new ATOM 192 N ALA A 13 -8.317 10.663 -7.769 1.00 0.00 N ATOM 193 CA ALA A 13 -7.994 12.059 -7.515 1.00 0.00 C ATOM 194 C ALA A 13 -6.771 12.515 -8.307 1.00 0.00 C ATOM 195 O ALA A 13 -6.632 13.699 -8.613 1.00 0.00 O ATOM 196 CB ALA A 13 -7.772 12.283 -6.028 1.00 0.00 C ATOM 0 H ALA A 13 -8.170 10.046 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.841 12.659 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.531 13.331 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.678 12.021 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.948 11.658 -5.685 1.00 0.00 H new ATOM 202 N HIS A 14 -5.897 11.583 -8.660 1.00 0.00 N ATOM 203 CA HIS A 14 -4.656 11.936 -9.341 1.00 0.00 C ATOM 204 C HIS A 14 -4.534 11.201 -10.676 1.00 0.00 C ATOM 205 O HIS A 14 -3.445 11.097 -11.243 1.00 0.00 O ATOM 206 CB HIS A 14 -3.461 11.604 -8.439 1.00 0.00 C ATOM 207 CG HIS A 14 -2.232 12.406 -8.735 1.00 0.00 C ATOM 208 ND1 HIS A 14 -1.095 11.871 -9.305 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.955 13.713 -8.507 1.00 0.00 C ATOM 210 CE1 HIS A 14 -0.175 12.815 -9.416 1.00 0.00 C ATOM 211 NE2 HIS A 14 -0.673 13.939 -8.938 1.00 0.00 N ATOM 0 H HIS A 14 -6.021 10.585 -8.489 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.666 13.006 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.747 11.767 -7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.225 10.545 -8.542 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -0.982 10.900 -9.595 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.620 14.441 -8.067 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.815 12.687 -9.828 1.00 0.00 H new ATOM 220 N ARG A 15 -5.662 10.729 -11.197 1.00 0.00 N ATOM 221 CA ARG A 15 -5.666 9.900 -12.396 1.00 0.00 C ATOM 222 C ARG A 15 -5.421 10.740 -13.648 1.00 0.00 C ATOM 223 O ARG A 15 -4.827 10.265 -14.618 1.00 0.00 O ATOM 224 CB ARG A 15 -6.992 9.137 -12.516 1.00 0.00 C ATOM 225 CG ARG A 15 -8.174 9.996 -12.935 1.00 0.00 C ATOM 226 CD ARG A 15 -9.500 9.278 -12.739 1.00 0.00 C ATOM 227 NE ARG A 15 -9.487 7.899 -13.236 1.00 0.00 N ATOM 228 CZ ARG A 15 -10.571 7.124 -13.288 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.776 7.637 -13.064 1.00 0.00 N ATOM 230 NH2 ARG A 15 -10.460 5.842 -13.606 1.00 0.00 N ATOM 0 H ARG A 15 -6.587 10.907 -10.806 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.853 9.179 -12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.869 8.331 -13.240 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.218 8.672 -11.556 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.173 10.920 -12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.065 10.276 -13.983 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.750 9.273 -11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.286 9.834 -13.249 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.601 7.511 -13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.876 8.629 -12.851 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.601 7.038 -13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.543 5.445 -13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.291 5.252 -13.645 1.00 0.00 H new ATOM 244 N SER A 16 -5.868 11.991 -13.615 1.00 0.00 N ATOM 245 CA SER A 16 -5.688 12.903 -14.726 1.00 0.00 C ATOM 246 C SER A 16 -4.226 13.313 -14.862 1.00 0.00 C ATOM 247 O SER A 16 -3.776 13.725 -15.934 1.00 0.00 O ATOM 248 CB SER A 16 -6.567 14.127 -14.511 1.00 0.00 C ATOM 249 OG SER A 16 -7.923 13.751 -14.318 1.00 0.00 O ATOM 0 H SER A 16 -6.362 12.395 -12.819 1.00 0.00 H new ATOM 0 HA SER A 16 -5.978 12.403 -15.650 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.214 14.685 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.489 14.791 -15.372 1.00 0.00 H new ATOM 0 HG SER A 16 -8.469 14.553 -14.180 1.00 0.00 H new ATOM 255 N SER A 17 -3.489 13.196 -13.770 1.00 0.00 N ATOM 256 CA SER A 17 -2.073 13.511 -13.773 1.00 0.00 C ATOM 257 C SER A 17 -1.283 12.342 -14.359 1.00 0.00 C ATOM 258 O SER A 17 -0.184 12.517 -14.888 1.00 0.00 O ATOM 259 CB SER A 17 -1.606 13.815 -12.352 1.00 0.00 C ATOM 260 OG SER A 17 -0.356 14.484 -12.348 1.00 0.00 O ATOM 0 H SER A 17 -3.850 12.884 -12.869 1.00 0.00 H new ATOM 0 HA SER A 17 -1.901 14.392 -14.391 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.351 14.430 -11.847 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.524 12.886 -11.788 1.00 0.00 H new ATOM 0 HG SER A 17 -0.160 14.807 -11.443 1.00 0.00 H new ATOM 266 N TRP A 18 -1.866 11.151 -14.281 1.00 0.00 N ATOM 267 CA TRP A 18 -1.268 9.956 -14.864 1.00 0.00 C ATOM 268 C TRP A 18 -1.843 9.729 -16.257 1.00 0.00 C ATOM 269 O TRP A 18 -2.229 8.614 -16.613 1.00 0.00 O ATOM 270 CB TRP A 18 -1.539 8.726 -13.988 1.00 0.00 C ATOM 271 CG TRP A 18 -1.012 8.839 -12.586 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.160 9.417 -12.187 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.637 8.339 -11.397 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.292 9.317 -10.822 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.795 8.658 -10.316 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.829 7.655 -11.142 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.110 8.319 -9.001 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -3.138 7.318 -9.840 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.283 7.650 -8.782 1.00 0.00 C ATOM 0 H TRP A 18 -2.759 10.987 -13.816 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.190 10.103 -14.928 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.614 8.553 -13.947 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.094 7.851 -14.462 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.877 9.884 -12.846 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.074 9.676 -10.275 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.497 7.395 -11.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.451 8.575 -8.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.056 6.788 -9.633 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.555 7.373 -7.774 1.00 0.00 H new ATOM 290 N LYS A 19 -1.881 10.788 -17.045 1.00 0.00 N ATOM 291 CA LYS A 19 -2.484 10.750 -18.356 1.00 0.00 C ATOM 292 C LYS A 19 -1.453 11.173 -19.359 1.00 0.00 C ATOM 293 O LYS A 19 -0.849 12.235 -19.233 1.00 0.00 O ATOM 294 CB LYS A 19 -3.711 11.666 -18.418 1.00 0.00 C ATOM 295 CG LYS A 19 -4.743 11.245 -19.452 1.00 0.00 C ATOM 296 CD LYS A 19 -5.448 9.968 -19.033 1.00 0.00 C ATOM 297 CE LYS A 19 -6.436 9.499 -20.085 1.00 0.00 C ATOM 298 NZ LYS A 19 -7.190 8.308 -19.628 1.00 0.00 N ATOM 0 H LYS A 19 -1.494 11.696 -16.790 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.824 9.738 -18.578 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.184 11.690 -17.436 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.383 12.682 -18.639 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.475 12.041 -19.584 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.256 11.096 -20.416 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.709 9.187 -18.854 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.971 10.134 -18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.132 10.305 -20.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.904 9.263 -21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.856 8.013 -20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.527 7.532 -19.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.717 8.542 -18.762 1.00 0.00 H new ATOM 312 N ASN A 20 -1.238 10.337 -20.343 1.00 0.00 N ATOM 313 CA ASN A 20 -2.061 9.159 -20.571 1.00 0.00 C ATOM 314 C ASN A 20 -1.246 7.889 -20.368 1.00 0.00 C ATOM 315 O ASN A 20 -0.606 7.392 -21.295 1.00 0.00 O ATOM 316 CB ASN A 20 -2.632 9.185 -21.991 1.00 0.00 C ATOM 317 CG ASN A 20 -3.533 7.999 -22.282 1.00 0.00 C ATOM 318 OD1 ASN A 20 -4.273 7.536 -21.416 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.457 7.487 -23.499 1.00 0.00 N ATOM 0 H ASN A 20 -0.482 10.449 -21.019 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.881 9.167 -19.853 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.195 10.107 -22.135 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.811 9.197 -22.708 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.026 6.678 -23.748 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.830 7.901 -24.188 1.00 0.00 H new ATOM 326 N THR A 21 -1.248 7.388 -19.146 1.00 0.00 N ATOM 327 CA THR A 21 -0.537 6.161 -18.827 1.00 0.00 C ATOM 328 C THR A 21 -1.407 5.230 -17.989 1.00 0.00 C ATOM 329 O THR A 21 -2.407 5.653 -17.402 1.00 0.00 O ATOM 330 CB THR A 21 0.778 6.458 -18.080 1.00 0.00 C ATOM 331 OG1 THR A 21 0.554 7.444 -17.063 1.00 0.00 O ATOM 332 CG2 THR A 21 1.851 6.946 -19.040 1.00 0.00 C ATOM 0 H THR A 21 -1.735 7.812 -18.356 1.00 0.00 H new ATOM 0 HA THR A 21 -0.298 5.668 -19.769 1.00 0.00 H new ATOM 0 HB THR A 21 1.122 5.533 -17.618 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.049 7.198 -16.254 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.769 7.148 -18.488 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.042 6.181 -19.792 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.513 7.859 -19.529 1.00 0.00 H new ATOM 340 N LYS A 22 -1.030 3.960 -17.940 1.00 0.00 N ATOM 341 CA LYS A 22 -1.784 2.970 -17.184 1.00 0.00 C ATOM 342 C LYS A 22 -1.212 2.768 -15.787 1.00 0.00 C ATOM 343 O LYS A 22 -1.308 1.681 -15.217 1.00 0.00 O ATOM 344 CB LYS A 22 -1.820 1.639 -17.921 1.00 0.00 C ATOM 345 CG LYS A 22 -2.736 1.633 -19.134 1.00 0.00 C ATOM 346 CD LYS A 22 -2.847 0.245 -19.746 1.00 0.00 C ATOM 347 CE LYS A 22 -3.450 -0.753 -18.771 1.00 0.00 C ATOM 348 NZ LYS A 22 -4.870 -0.439 -18.457 1.00 0.00 N ATOM 0 H LYS A 22 -0.206 3.591 -18.415 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.800 3.352 -17.083 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.809 1.383 -18.239 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.143 0.860 -17.230 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.727 1.984 -18.844 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.357 2.331 -19.880 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.461 0.292 -20.645 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.859 -0.098 -20.053 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.385 -1.756 -19.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.867 -0.757 -17.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.247 -1.154 -17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.928 0.501 -18.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.429 -0.444 -19.334 1.00 0.00 H new ATOM 362 N HIS A 23 -0.640 3.821 -15.236 1.00 0.00 N ATOM 363 CA HIS A 23 -0.149 3.779 -13.863 1.00 0.00 C ATOM 364 C HIS A 23 -1.313 3.577 -12.898 1.00 0.00 C ATOM 365 O HIS A 23 -1.200 2.829 -11.931 1.00 0.00 O ATOM 366 CB HIS A 23 0.623 5.055 -13.494 1.00 0.00 C ATOM 367 CG HIS A 23 1.989 5.148 -14.112 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.409 5.769 -15.238 1.00 0.00 N flip ATOM 369 CD2 HIS A 23 3.112 4.567 -13.559 1.00 0.00 C flip ATOM 370 CE1 HIS A 23 3.760 5.553 -15.344 1.00 0.00 C flip ATOM 371 NE2 HIS A 23 4.159 4.829 -14.318 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.502 4.713 -15.711 1.00 0.00 H new ATOM 0 HA HIS A 23 0.541 2.939 -13.784 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.038 5.922 -13.801 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.723 5.105 -12.410 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.131 3.988 -12.647 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.393 5.917 -16.139 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.116 4.523 -14.140 1.00 0.00 H new ATOM 380 N ALA A 24 -2.438 4.227 -13.186 1.00 0.00 N ATOM 381 CA ALA A 24 -3.639 4.086 -12.369 1.00 0.00 C ATOM 382 C ALA A 24 -4.127 2.640 -12.379 1.00 0.00 C ATOM 383 O ALA A 24 -4.613 2.126 -11.366 1.00 0.00 O ATOM 384 CB ALA A 24 -4.730 5.023 -12.869 1.00 0.00 C ATOM 0 H ALA A 24 -2.542 4.858 -13.981 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.394 4.356 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.620 4.908 -12.251 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.379 6.053 -12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.973 4.780 -13.903 1.00 0.00 H new ATOM 390 N ASP A 25 -3.991 1.996 -13.535 1.00 0.00 N ATOM 391 CA ASP A 25 -4.312 0.579 -13.678 1.00 0.00 C ATOM 392 C ASP A 25 -3.403 -0.245 -12.781 1.00 0.00 C ATOM 393 O ASP A 25 -3.873 -1.038 -11.971 1.00 0.00 O ATOM 394 CB ASP A 25 -4.134 0.137 -15.136 1.00 0.00 C ATOM 395 CG ASP A 25 -4.519 -1.318 -15.387 1.00 0.00 C ATOM 396 OD1 ASP A 25 -3.778 -2.226 -14.953 1.00 0.00 O ATOM 397 OD2 ASP A 25 -5.539 -1.553 -16.070 1.00 0.00 O ATOM 0 H ASP A 25 -3.658 2.437 -14.392 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.351 0.423 -13.386 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.738 0.779 -15.777 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.094 0.284 -15.426 1.00 0.00 H new ATOM 402 N GLN A 26 -2.100 -0.011 -12.907 1.00 0.00 N ATOM 403 CA GLN A 26 -1.097 -0.755 -12.162 1.00 0.00 C ATOM 404 C GLN A 26 -1.270 -0.592 -10.653 1.00 0.00 C ATOM 405 O GLN A 26 -1.084 -1.551 -9.900 1.00 0.00 O ATOM 406 CB GLN A 26 0.301 -0.310 -12.592 1.00 0.00 C ATOM 407 CG GLN A 26 0.687 -0.768 -13.992 1.00 0.00 C ATOM 408 CD GLN A 26 0.841 -2.276 -14.101 1.00 0.00 C ATOM 409 OE1 GLN A 26 0.185 -3.041 -13.395 1.00 0.00 O ATOM 410 NE2 GLN A 26 1.718 -2.717 -14.987 1.00 0.00 N ATOM 0 H GLN A 26 -1.713 0.699 -13.528 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.227 -1.813 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.356 0.778 -12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.030 -0.695 -11.879 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.071 -0.433 -14.700 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.624 -0.291 -14.279 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.245 -2.055 -15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.867 -3.720 -15.101 1.00 0.00 H new ATOM 419 N TRP A 27 -1.625 0.612 -10.215 1.00 0.00 N ATOM 420 CA TRP A 27 -1.892 0.860 -8.800 1.00 0.00 C ATOM 421 C TRP A 27 -3.006 -0.055 -8.301 1.00 0.00 C ATOM 422 O TRP A 27 -2.845 -0.763 -7.307 1.00 0.00 O ATOM 423 CB TRP A 27 -2.271 2.326 -8.567 1.00 0.00 C ATOM 424 CG TRP A 27 -1.095 3.234 -8.363 1.00 0.00 C ATOM 425 CD1 TRP A 27 -0.186 3.624 -9.299 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.714 3.874 -7.140 1.00 0.00 C ATOM 427 NE1 TRP A 27 0.746 4.461 -8.735 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.442 4.633 -7.408 1.00 0.00 C ATOM 429 CE3 TRP A 27 -1.236 3.877 -5.845 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.083 5.386 -6.425 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.603 4.625 -4.871 1.00 0.00 C ATOM 432 CH2 TRP A 27 0.547 5.371 -5.165 1.00 0.00 C ATOM 0 H TRP A 27 -1.734 1.429 -10.816 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.982 0.645 -8.240 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.848 2.682 -9.421 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.921 2.388 -7.694 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.196 3.319 -10.335 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.535 4.885 -9.223 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.120 3.304 -5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.970 5.960 -6.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -1.001 4.635 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.020 5.945 -4.382 1.00 0.00 H new ATOM 443 N THR A 28 -4.115 -0.060 -9.024 1.00 0.00 N ATOM 444 CA THR A 28 -5.269 -0.868 -8.656 1.00 0.00 C ATOM 445 C THR A 28 -4.972 -2.355 -8.836 1.00 0.00 C ATOM 446 O THR A 28 -5.247 -3.171 -7.959 1.00 0.00 O ATOM 447 CB THR A 28 -6.491 -0.500 -9.525 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.619 0.925 -9.623 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.769 -1.080 -8.939 1.00 0.00 C ATOM 0 H THR A 28 -4.241 0.490 -9.874 1.00 0.00 H new ATOM 0 HA THR A 28 -5.489 -0.665 -7.608 1.00 0.00 H new ATOM 0 HB THR A 28 -6.335 -0.922 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.986 1.265 -10.289 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.615 -0.807 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.688 -2.166 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.922 -0.684 -7.935 1.00 0.00 H new ATOM 457 N ASN A 29 -4.379 -2.680 -9.977 1.00 0.00 N ATOM 458 CA ASN A 29 -4.155 -4.061 -10.399 1.00 0.00 C ATOM 459 C ASN A 29 -3.336 -4.841 -9.370 1.00 0.00 C ATOM 460 O ASN A 29 -3.667 -5.982 -9.036 1.00 0.00 O ATOM 461 CB ASN A 29 -3.433 -4.049 -11.751 1.00 0.00 C ATOM 462 CG ASN A 29 -3.711 -5.269 -12.611 1.00 0.00 C ATOM 463 OD1 ASN A 29 -3.908 -6.379 -12.112 1.00 0.00 O ATOM 464 ND2 ASN A 29 -3.748 -5.058 -13.919 1.00 0.00 N ATOM 0 H ASN A 29 -4.036 -1.988 -10.643 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.119 -4.561 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.728 -3.155 -12.301 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.359 -3.977 -11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.946 -5.831 -14.555 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.579 -4.123 -14.290 1.00 0.00 H new ATOM 471 N THR A 30 -2.274 -4.228 -8.854 1.00 0.00 N ATOM 472 CA THR A 30 -1.416 -4.898 -7.887 1.00 0.00 C ATOM 473 C THR A 30 -2.135 -5.073 -6.552 1.00 0.00 C ATOM 474 O THR A 30 -2.182 -6.177 -5.998 1.00 0.00 O ATOM 475 CB THR A 30 -0.109 -4.119 -7.645 1.00 0.00 C ATOM 476 OG1 THR A 30 0.476 -3.721 -8.891 1.00 0.00 O ATOM 477 CG2 THR A 30 0.886 -4.972 -6.873 1.00 0.00 C ATOM 0 H THR A 30 -1.990 -3.277 -9.088 1.00 0.00 H new ATOM 0 HA THR A 30 -1.173 -5.873 -8.308 1.00 0.00 H new ATOM 0 HB THR A 30 -0.350 -3.231 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.081 -3.031 -9.308 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.803 -4.405 -6.712 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.457 -5.250 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.112 -5.873 -7.443 1.00 0.00 H new ATOM 485 N ILE A 31 -2.709 -3.984 -6.052 1.00 0.00 N ATOM 486 CA ILE A 31 -3.359 -3.984 -4.747 1.00 0.00 C ATOM 487 C ILE A 31 -4.568 -4.911 -4.739 1.00 0.00 C ATOM 488 O ILE A 31 -4.786 -5.648 -3.779 1.00 0.00 O ATOM 489 CB ILE A 31 -3.785 -2.556 -4.331 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.549 -1.660 -4.201 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.563 -2.583 -3.023 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.873 -0.222 -3.853 1.00 0.00 C ATOM 0 H ILE A 31 -2.737 -3.086 -6.534 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.632 -4.351 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.438 -2.149 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.892 -2.071 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.995 -1.681 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.852 -1.568 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.457 -3.195 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.938 -3.006 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.949 0.351 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.504 0.207 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.399 -0.188 -2.899 1.00 0.00 H new ATOM 504 N LYS A 32 -5.328 -4.891 -5.826 1.00 0.00 N ATOM 505 CA LYS A 32 -6.506 -5.740 -5.962 1.00 0.00 C ATOM 506 C LYS A 32 -6.120 -7.209 -5.838 1.00 0.00 C ATOM 507 O LYS A 32 -6.847 -8.009 -5.250 1.00 0.00 O ATOM 508 CB LYS A 32 -7.167 -5.496 -7.322 1.00 0.00 C ATOM 509 CG LYS A 32 -8.513 -6.181 -7.496 1.00 0.00 C ATOM 510 CD LYS A 32 -9.100 -5.896 -8.869 1.00 0.00 C ATOM 511 CE LYS A 32 -10.458 -6.552 -9.049 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.002 -6.322 -10.413 1.00 0.00 N ATOM 0 H LYS A 32 -5.149 -4.292 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.208 -5.492 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.298 -4.423 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.493 -5.840 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.397 -7.257 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.202 -5.837 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.195 -4.819 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.417 -6.257 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.372 -7.623 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.154 -6.158 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.930 -6.784 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.108 -5.300 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.350 -6.720 -11.119 1.00 0.00 H new ATOM 526 N THR A 33 -4.958 -7.549 -6.378 1.00 0.00 N ATOM 527 CA THR A 33 -4.514 -8.931 -6.415 1.00 0.00 C ATOM 528 C THR A 33 -3.879 -9.366 -5.092 1.00 0.00 C ATOM 529 O THR A 33 -4.292 -10.362 -4.497 1.00 0.00 O ATOM 530 CB THR A 33 -3.500 -9.132 -7.556 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.102 -8.789 -8.814 1.00 0.00 O ATOM 532 CG2 THR A 33 -2.995 -10.567 -7.604 1.00 0.00 C ATOM 0 H THR A 33 -4.307 -6.885 -6.796 1.00 0.00 H new ATOM 0 HA THR A 33 -5.396 -9.548 -6.586 1.00 0.00 H new ATOM 0 HB THR A 33 -2.649 -8.478 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.986 -7.830 -8.982 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.281 -10.674 -8.421 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.507 -10.813 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.835 -11.243 -7.765 1.00 0.00 H new ATOM 540 N TYR A 34 -2.879 -8.621 -4.633 1.00 0.00 N ATOM 541 CA TYR A 34 -2.135 -9.007 -3.434 1.00 0.00 C ATOM 542 C TYR A 34 -2.856 -8.625 -2.144 1.00 0.00 C ATOM 543 O TYR A 34 -3.036 -9.453 -1.257 1.00 0.00 O ATOM 544 CB TYR A 34 -0.728 -8.407 -3.462 1.00 0.00 C ATOM 545 CG TYR A 34 0.154 -9.002 -4.538 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.790 -10.224 -4.346 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.352 -8.346 -5.745 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.595 -10.774 -5.328 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.153 -8.889 -6.732 1.00 0.00 C ATOM 550 CZ TYR A 34 1.774 -10.101 -6.517 1.00 0.00 C ATOM 551 OH TYR A 34 2.577 -10.643 -7.494 1.00 0.00 O ATOM 0 H TYR A 34 -2.565 -7.753 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.062 -10.094 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.802 -7.331 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.257 -8.558 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.653 -10.753 -3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.128 -7.394 -5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.080 -11.725 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.292 -8.366 -7.667 1.00 0.00 H new ATOM 0 HH TYR A 34 2.597 -10.045 -8.270 1.00 0.00 H new ATOM 561 N CYS A 35 -3.283 -7.376 -2.049 1.00 0.00 N ATOM 562 CA CYS A 35 -3.846 -6.861 -0.806 1.00 0.00 C ATOM 563 C CYS A 35 -5.338 -7.161 -0.700 1.00 0.00 C ATOM 564 O CYS A 35 -5.869 -7.314 0.401 1.00 0.00 O ATOM 565 CB CYS A 35 -3.599 -5.354 -0.709 1.00 0.00 C ATOM 566 SG CYS A 35 -1.856 -4.888 -0.831 1.00 0.00 S ATOM 0 H CYS A 35 -3.252 -6.701 -2.813 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.349 -7.363 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.155 -4.853 -1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.997 -4.991 0.239 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.745 -3.596 -0.741 1.00 0.00 H new ATOM 572 N GLY A 36 -5.990 -7.254 -1.855 1.00 0.00 N ATOM 573 CA GLY A 36 -7.427 -7.483 -1.927 1.00 0.00 C ATOM 574 C GLY A 36 -7.936 -8.576 -0.996 1.00 0.00 C ATOM 575 O GLY A 36 -8.716 -8.292 -0.092 1.00 0.00 O ATOM 0 H GLY A 36 -5.537 -7.173 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.943 -6.552 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.690 -7.744 -2.952 1.00 0.00 H new ATOM 579 N PRO A 37 -7.513 -9.839 -1.195 1.00 0.00 N ATOM 580 CA PRO A 37 -8.006 -10.985 -0.410 1.00 0.00 C ATOM 581 C PRO A 37 -7.857 -10.824 1.107 1.00 0.00 C ATOM 582 O PRO A 37 -8.509 -11.537 1.874 1.00 0.00 O ATOM 583 CB PRO A 37 -7.140 -12.150 -0.899 1.00 0.00 C ATOM 584 CG PRO A 37 -6.708 -11.752 -2.264 1.00 0.00 C ATOM 585 CD PRO A 37 -6.536 -10.262 -2.216 1.00 0.00 C ATOM 0 HA PRO A 37 -9.078 -11.116 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.284 -12.309 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.705 -13.082 -0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.776 -12.245 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.451 -12.037 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.519 -9.983 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.740 -9.802 -3.183 1.00 0.00 H new ATOM 593 N VAL A 38 -7.011 -9.899 1.549 1.00 0.00 N ATOM 594 CA VAL A 38 -6.770 -9.735 2.977 1.00 0.00 C ATOM 595 C VAL A 38 -7.200 -8.353 3.471 1.00 0.00 C ATOM 596 O VAL A 38 -8.266 -8.208 4.069 1.00 0.00 O ATOM 597 CB VAL A 38 -5.284 -9.966 3.339 1.00 0.00 C ATOM 598 CG1 VAL A 38 -5.084 -9.962 4.851 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.775 -11.269 2.739 1.00 0.00 C ATOM 0 H VAL A 38 -6.488 -9.261 0.949 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.376 -10.492 3.475 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.706 -9.145 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.031 -10.126 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.397 -9.000 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.681 -10.757 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.728 -11.409 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.363 -12.102 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.869 -11.231 1.654 1.00 0.00 H new ATOM 609 N ILE A 39 -6.387 -7.336 3.189 1.00 0.00 N ATOM 610 CA ILE A 39 -6.599 -6.006 3.760 1.00 0.00 C ATOM 611 C ILE A 39 -7.433 -5.113 2.851 1.00 0.00 C ATOM 612 O ILE A 39 -7.751 -3.983 3.210 1.00 0.00 O ATOM 613 CB ILE A 39 -5.261 -5.297 4.071 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.407 -5.166 2.804 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.504 -6.052 5.157 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.106 -4.418 3.016 1.00 0.00 C ATOM 0 H ILE A 39 -5.578 -7.406 2.571 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.146 -6.167 4.689 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.478 -4.293 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.184 -6.163 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.988 -4.654 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.564 -5.542 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.108 -6.087 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.299 -7.067 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.558 -4.367 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.320 -3.408 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.503 -4.940 3.759 1.00 0.00 H new ATOM 628 N GLY A 40 -7.789 -5.632 1.686 1.00 0.00 N ATOM 629 CA GLY A 40 -8.590 -4.877 0.738 1.00 0.00 C ATOM 630 C GLY A 40 -9.909 -4.394 1.319 1.00 0.00 C ATOM 631 O GLY A 40 -10.146 -3.186 1.395 1.00 0.00 O ATOM 0 H GLY A 40 -7.536 -6.570 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.017 -4.017 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.791 -5.499 -0.134 1.00 0.00 H new ATOM 635 N PRO A 41 -10.807 -5.316 1.711 1.00 0.00 N ATOM 636 CA PRO A 41 -12.112 -4.967 2.271 1.00 0.00 C ATOM 637 C PRO A 41 -12.032 -4.529 3.734 1.00 0.00 C ATOM 638 O PRO A 41 -13.057 -4.302 4.376 1.00 0.00 O ATOM 639 CB PRO A 41 -12.929 -6.263 2.150 1.00 0.00 C ATOM 640 CG PRO A 41 -12.054 -7.239 1.430 1.00 0.00 C ATOM 641 CD PRO A 41 -10.644 -6.770 1.631 1.00 0.00 C ATOM 0 HA PRO A 41 -12.552 -4.120 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.208 -6.641 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.855 -6.090 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.189 -8.246 1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.304 -7.276 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.205 -7.181 2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.997 -7.062 0.804 1.00 0.00 H new ATOM 649 N LEU A 42 -10.822 -4.416 4.262 1.00 0.00 N ATOM 650 CA LEU A 42 -10.641 -3.950 5.626 1.00 0.00 C ATOM 651 C LEU A 42 -10.649 -2.430 5.657 1.00 0.00 C ATOM 652 O LEU A 42 -10.193 -1.783 4.712 1.00 0.00 O ATOM 653 CB LEU A 42 -9.336 -4.482 6.227 1.00 0.00 C ATOM 654 CG LEU A 42 -9.262 -6.001 6.388 1.00 0.00 C ATOM 655 CD1 LEU A 42 -7.960 -6.399 7.062 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.449 -6.518 7.184 1.00 0.00 C ATOM 0 H LEU A 42 -9.957 -4.639 3.769 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.467 -4.329 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.507 -4.159 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.191 -4.022 7.205 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.294 -6.451 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.922 -7.483 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.119 -6.065 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.903 -5.935 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.375 -7.601 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.451 -6.060 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.373 -6.265 6.665 1.00 0.00 H new ATOM 668 N SER A 43 -11.194 -1.868 6.726 1.00 0.00 N ATOM 669 CA SER A 43 -11.274 -0.441 6.901 1.00 0.00 C ATOM 670 C SER A 43 -9.883 0.192 6.885 1.00 0.00 C ATOM 671 O SER A 43 -8.944 -0.351 7.463 1.00 0.00 O ATOM 672 CB SER A 43 -11.960 -0.176 8.230 1.00 0.00 C ATOM 673 OG SER A 43 -13.140 -0.953 8.352 1.00 0.00 O ATOM 0 H SER A 43 -11.594 -2.402 7.498 1.00 0.00 H new ATOM 0 HA SER A 43 -11.841 0.002 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.279 -0.410 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.206 0.883 8.312 1.00 0.00 H new ATOM 0 HG SER A 43 -13.565 -0.769 9.215 1.00 0.00 H new ATOM 679 N VAL A 44 -9.759 1.350 6.244 1.00 0.00 N ATOM 680 CA VAL A 44 -8.472 2.038 6.137 1.00 0.00 C ATOM 681 C VAL A 44 -8.018 2.547 7.511 1.00 0.00 C ATOM 682 O VAL A 44 -6.855 2.897 7.720 1.00 0.00 O ATOM 683 CB VAL A 44 -8.553 3.213 5.131 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.447 4.329 5.656 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.167 3.742 4.791 1.00 0.00 C ATOM 0 H VAL A 44 -10.533 1.834 5.790 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.738 1.322 5.768 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.001 2.830 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.484 5.139 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.453 3.943 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.045 4.705 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.256 4.566 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.679 4.095 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.572 2.944 4.347 1.00 0.00 H new ATOM 695 N GLN A 45 -8.957 2.574 8.444 1.00 0.00 N ATOM 696 CA GLN A 45 -8.680 2.976 9.814 1.00 0.00 C ATOM 697 C GLN A 45 -8.206 1.762 10.616 1.00 0.00 C ATOM 698 O GLN A 45 -7.510 1.893 11.622 1.00 0.00 O ATOM 699 CB GLN A 45 -9.957 3.589 10.420 1.00 0.00 C ATOM 700 CG GLN A 45 -9.739 4.426 11.677 1.00 0.00 C ATOM 701 CD GLN A 45 -9.548 3.598 12.932 1.00 0.00 C ATOM 702 OE1 GLN A 45 -10.070 2.489 13.046 1.00 0.00 O ATOM 703 NE2 GLN A 45 -8.811 4.135 13.892 1.00 0.00 N ATOM 0 H GLN A 45 -9.930 2.319 8.274 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.889 3.725 9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.436 4.213 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.652 2.783 10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.864 5.060 11.534 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.594 5.088 11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.395 5.057 13.760 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.659 3.627 14.763 1.00 0.00 H new ATOM 712 N ASP A 46 -8.552 0.577 10.123 1.00 0.00 N ATOM 713 CA ASP A 46 -8.293 -0.665 10.840 1.00 0.00 C ATOM 714 C ASP A 46 -6.970 -1.288 10.401 1.00 0.00 C ATOM 715 O ASP A 46 -6.294 -1.937 11.195 1.00 0.00 O ATOM 716 CB ASP A 46 -9.436 -1.651 10.599 1.00 0.00 C ATOM 717 CG ASP A 46 -9.398 -2.841 11.541 1.00 0.00 C ATOM 718 OD1 ASP A 46 -8.596 -3.765 11.317 1.00 0.00 O ATOM 719 OD2 ASP A 46 -10.188 -2.860 12.509 1.00 0.00 O ATOM 0 H ASP A 46 -9.016 0.452 9.223 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.226 -0.437 11.904 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.387 -1.132 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.391 -2.007 9.570 1.00 0.00 H new ATOM 724 N VAL A 47 -6.611 -1.072 9.135 1.00 0.00 N ATOM 725 CA VAL A 47 -5.392 -1.642 8.554 1.00 0.00 C ATOM 726 C VAL A 47 -4.154 -1.314 9.392 1.00 0.00 C ATOM 727 O VAL A 47 -3.717 -0.160 9.459 1.00 0.00 O ATOM 728 CB VAL A 47 -5.164 -1.152 7.104 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.870 -1.713 6.529 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.338 -1.532 6.218 1.00 0.00 C ATOM 0 H VAL A 47 -7.152 -0.501 8.486 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.538 -2.722 8.546 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.082 -0.065 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.738 -1.351 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.029 -1.388 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.916 -2.802 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.157 -1.178 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.452 -2.616 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.249 -1.075 6.605 1.00 0.00 H new ATOM 740 N ASP A 48 -3.606 -2.342 10.030 1.00 0.00 N ATOM 741 CA ASP A 48 -2.392 -2.205 10.829 1.00 0.00 C ATOM 742 C ASP A 48 -1.182 -2.702 10.059 1.00 0.00 C ATOM 743 O ASP A 48 -1.308 -3.274 8.972 1.00 0.00 O ATOM 744 CB ASP A 48 -2.480 -3.009 12.130 1.00 0.00 C ATOM 745 CG ASP A 48 -3.316 -2.349 13.198 1.00 0.00 C ATOM 746 OD1 ASP A 48 -2.831 -1.379 13.814 1.00 0.00 O ATOM 747 OD2 ASP A 48 -4.447 -2.816 13.446 1.00 0.00 O ATOM 0 H ASP A 48 -3.987 -3.288 10.009 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.289 -1.145 11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.897 -3.992 11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.473 -3.168 12.516 1.00 0.00 H new ATOM 752 N THR A 49 -0.012 -2.514 10.649 1.00 0.00 N ATOM 753 CA THR A 49 1.218 -3.059 10.109 1.00 0.00 C ATOM 754 C THR A 49 1.174 -4.584 10.187 1.00 0.00 C ATOM 755 O THR A 49 1.628 -5.277 9.278 1.00 0.00 O ATOM 756 CB THR A 49 2.439 -2.537 10.884 1.00 0.00 C ATOM 757 OG1 THR A 49 2.282 -1.135 11.134 1.00 0.00 O ATOM 758 CG2 THR A 49 3.720 -2.771 10.097 1.00 0.00 C ATOM 0 H THR A 49 0.109 -1.982 11.511 1.00 0.00 H new ATOM 0 HA THR A 49 1.311 -2.742 9.070 1.00 0.00 H new ATOM 0 HB THR A 49 2.508 -3.078 11.828 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.516 -0.631 10.327 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.570 -2.394 10.665 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.848 -3.839 9.919 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.661 -2.249 9.142 1.00 0.00 H new ATOM 766 N LYS A 50 0.583 -5.081 11.276 1.00 0.00 N ATOM 767 CA LYS A 50 0.408 -6.515 11.508 1.00 0.00 C ATOM 768 C LYS A 50 -0.310 -7.175 10.338 1.00 0.00 C ATOM 769 O LYS A 50 0.105 -8.221 9.839 1.00 0.00 O ATOM 770 CB LYS A 50 -0.432 -6.716 12.771 1.00 0.00 C ATOM 771 CG LYS A 50 -0.719 -8.173 13.102 1.00 0.00 C ATOM 772 CD LYS A 50 -1.846 -8.306 14.121 1.00 0.00 C ATOM 773 CE LYS A 50 -1.501 -7.645 15.449 1.00 0.00 C ATOM 774 NZ LYS A 50 -0.433 -8.376 16.179 1.00 0.00 N ATOM 0 H LYS A 50 0.211 -4.497 12.025 1.00 0.00 H new ATOM 0 HA LYS A 50 1.393 -6.969 11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.085 -6.258 13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.378 -6.188 12.652 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.987 -8.708 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.184 -8.642 13.494 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.753 -7.856 13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.061 -9.362 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.179 -6.619 15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.395 -7.595 16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.278 -7.930 17.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.720 -9.366 16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.449 -8.344 15.628 1.00 0.00 H new ATOM 788 N LEU A 51 -1.382 -6.538 9.905 1.00 0.00 N ATOM 789 CA LEU A 51 -2.207 -7.057 8.830 1.00 0.00 C ATOM 790 C LEU A 51 -1.430 -7.089 7.519 1.00 0.00 C ATOM 791 O LEU A 51 -1.522 -8.043 6.748 1.00 0.00 O ATOM 792 CB LEU A 51 -3.458 -6.194 8.685 1.00 0.00 C ATOM 793 CG LEU A 51 -4.341 -6.118 9.934 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.588 -5.296 9.661 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.713 -7.514 10.412 1.00 0.00 C ATOM 0 H LEU A 51 -1.705 -5.649 10.287 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.500 -8.078 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.154 -5.184 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.055 -6.582 7.860 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.774 -5.625 10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.201 -5.255 10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.301 -4.285 9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.158 -5.757 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.340 -7.439 11.300 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.259 -8.035 9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.807 -8.069 10.654 1.00 0.00 H new ATOM 807 N ILE A 52 -0.652 -6.047 7.287 1.00 0.00 N ATOM 808 CA ILE A 52 0.148 -5.935 6.077 1.00 0.00 C ATOM 809 C ILE A 52 1.292 -6.953 6.070 1.00 0.00 C ATOM 810 O ILE A 52 1.665 -7.467 5.014 1.00 0.00 O ATOM 811 CB ILE A 52 0.695 -4.502 5.916 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.475 -3.524 5.752 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.648 -4.408 4.733 1.00 0.00 C ATOM 814 CD1 ILE A 52 -0.066 -2.071 5.675 1.00 0.00 C ATOM 0 H ILE A 52 -0.556 -5.258 7.927 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.500 -6.155 5.228 1.00 0.00 H new ATOM 0 HB ILE A 52 1.259 -4.238 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.025 -3.783 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.160 -3.652 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.018 -3.387 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.488 -5.086 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.122 -4.684 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.954 -1.449 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.457 -1.791 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.594 -1.924 4.820 1.00 0.00 H new ATOM 826 N MET A 53 1.837 -7.244 7.250 1.00 0.00 N ATOM 827 CA MET A 53 2.908 -8.236 7.388 1.00 0.00 C ATOM 828 C MET A 53 2.486 -9.574 6.789 1.00 0.00 C ATOM 829 O MET A 53 3.251 -10.214 6.071 1.00 0.00 O ATOM 830 CB MET A 53 3.279 -8.446 8.861 1.00 0.00 C ATOM 831 CG MET A 53 3.908 -7.237 9.533 1.00 0.00 C ATOM 832 SD MET A 53 4.228 -7.516 11.287 1.00 0.00 S ATOM 833 CE MET A 53 4.933 -5.938 11.759 1.00 0.00 C ATOM 0 H MET A 53 1.555 -6.807 8.128 1.00 0.00 H new ATOM 0 HA MET A 53 3.776 -7.853 6.851 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.381 -8.725 9.412 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.971 -9.286 8.932 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.843 -6.991 9.030 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.248 -6.377 9.419 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.584 -6.074 12.622 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.512 -5.535 10.928 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.133 -5.244 12.014 1.00 0.00 H new ATOM 843 N LYS A 54 1.254 -9.976 7.077 1.00 0.00 N ATOM 844 CA LYS A 54 0.733 -11.251 6.606 1.00 0.00 C ATOM 845 C LYS A 54 0.629 -11.271 5.082 1.00 0.00 C ATOM 846 O LYS A 54 0.901 -12.289 4.444 1.00 0.00 O ATOM 847 CB LYS A 54 -0.634 -11.528 7.234 1.00 0.00 C ATOM 848 CG LYS A 54 -0.611 -11.533 8.756 1.00 0.00 C ATOM 849 CD LYS A 54 -1.969 -11.900 9.338 1.00 0.00 C ATOM 850 CE LYS A 54 -2.385 -13.316 8.958 1.00 0.00 C ATOM 851 NZ LYS A 54 -1.405 -14.329 9.434 1.00 0.00 N ATOM 0 H LYS A 54 0.596 -9.434 7.637 1.00 0.00 H new ATOM 0 HA LYS A 54 1.427 -12.035 6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.342 -10.774 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.999 -12.492 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.139 -12.242 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.313 -10.549 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.935 -11.810 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.719 -11.193 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.366 -13.532 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.483 -13.387 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.828 -15.277 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.551 -14.291 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.151 -14.128 10.422 1.00 0.00 H new ATOM 865 N VAL A 55 0.241 -10.138 4.511 1.00 0.00 N ATOM 866 CA VAL A 55 0.088 -10.012 3.064 1.00 0.00 C ATOM 867 C VAL A 55 1.448 -10.052 2.368 1.00 0.00 C ATOM 868 O VAL A 55 1.600 -10.648 1.303 1.00 0.00 O ATOM 869 CB VAL A 55 -0.625 -8.694 2.693 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.860 -8.605 1.192 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.936 -8.556 3.452 1.00 0.00 C ATOM 0 H VAL A 55 0.025 -9.287 5.030 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.517 -10.854 2.729 1.00 0.00 H new ATOM 0 HB VAL A 55 0.025 -7.868 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.364 -7.667 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.097 -8.643 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.482 -9.441 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.420 -7.620 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.590 -9.391 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.738 -8.558 4.524 1.00 0.00 H new ATOM 881 N LEU A 56 2.435 -9.421 2.990 1.00 0.00 N ATOM 882 CA LEU A 56 3.761 -9.293 2.399 1.00 0.00 C ATOM 883 C LEU A 56 4.570 -10.579 2.517 1.00 0.00 C ATOM 884 O LEU A 56 5.499 -10.795 1.741 1.00 0.00 O ATOM 885 CB LEU A 56 4.528 -8.138 3.042 1.00 0.00 C ATOM 886 CG LEU A 56 3.962 -6.746 2.761 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.820 -5.692 3.430 1.00 0.00 C ATOM 888 CD2 LEU A 56 3.871 -6.493 1.262 1.00 0.00 C ATOM 0 H LEU A 56 2.342 -8.988 3.909 1.00 0.00 H new ATOM 0 HA LEU A 56 3.617 -9.086 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.550 -8.293 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.561 -8.170 2.694 1.00 0.00 H new ATOM 0 HG LEU A 56 2.955 -6.690 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.409 -4.704 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.833 -5.863 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.837 -5.750 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.466 -5.497 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.865 -6.564 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.217 -7.237 0.807 1.00 0.00 H new ATOM 900 N ASP A 57 4.217 -11.417 3.489 1.00 0.00 N ATOM 901 CA ASP A 57 4.964 -12.651 3.783 1.00 0.00 C ATOM 902 C ASP A 57 5.324 -13.446 2.519 1.00 0.00 C ATOM 903 O ASP A 57 6.505 -13.698 2.268 1.00 0.00 O ATOM 904 CB ASP A 57 4.177 -13.550 4.739 1.00 0.00 C ATOM 905 CG ASP A 57 5.041 -14.653 5.313 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.772 -14.388 6.288 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.002 -15.785 4.791 1.00 0.00 O ATOM 0 H ASP A 57 3.411 -11.267 4.095 1.00 0.00 H new ATOM 0 HA ASP A 57 5.895 -12.335 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.769 -12.948 5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.330 -13.989 4.211 1.00 0.00 H new ATOM 912 N PRO A 58 4.331 -13.842 1.695 1.00 0.00 N ATOM 913 CA PRO A 58 4.588 -14.622 0.481 1.00 0.00 C ATOM 914 C PRO A 58 5.270 -13.801 -0.615 1.00 0.00 C ATOM 915 O PRO A 58 5.725 -14.347 -1.619 1.00 0.00 O ATOM 916 CB PRO A 58 3.193 -15.056 0.030 1.00 0.00 C ATOM 917 CG PRO A 58 2.275 -14.023 0.585 1.00 0.00 C ATOM 918 CD PRO A 58 2.890 -13.571 1.878 1.00 0.00 C ATOM 0 HA PRO A 58 5.267 -15.452 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.125 -15.102 -1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.946 -16.048 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.164 -13.188 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.279 -14.435 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.702 -12.513 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.484 -14.120 2.728 1.00 0.00 H new ATOM 926 N ILE A 59 5.338 -12.490 -0.422 1.00 0.00 N ATOM 927 CA ILE A 59 5.954 -11.602 -1.397 1.00 0.00 C ATOM 928 C ILE A 59 7.453 -11.461 -1.130 1.00 0.00 C ATOM 929 O ILE A 59 8.249 -11.357 -2.067 1.00 0.00 O ATOM 930 CB ILE A 59 5.291 -10.206 -1.381 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.773 -10.342 -1.535 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.860 -9.332 -2.491 1.00 0.00 C ATOM 933 CD1 ILE A 59 3.030 -9.022 -1.494 1.00 0.00 C ATOM 0 H ILE A 59 4.972 -12.017 0.405 1.00 0.00 H new ATOM 0 HA ILE A 59 5.806 -12.046 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 59 5.506 -9.730 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.557 -10.840 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.394 -10.986 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.382 -8.353 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.934 -9.215 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.672 -9.802 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.961 -9.202 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.214 -8.530 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.380 -8.382 -2.304 1.00 0.00 H new ATOM 945 N TRP A 60 7.830 -11.477 0.149 1.00 0.00 N ATOM 946 CA TRP A 60 9.239 -11.385 0.541 1.00 0.00 C ATOM 947 C TRP A 60 10.046 -12.531 -0.058 1.00 0.00 C ATOM 948 O TRP A 60 11.228 -12.381 -0.361 1.00 0.00 O ATOM 949 CB TRP A 60 9.398 -11.415 2.068 1.00 0.00 C ATOM 950 CG TRP A 60 8.834 -10.223 2.785 1.00 0.00 C ATOM 951 CD1 TRP A 60 7.812 -10.222 3.688 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.270 -8.863 2.669 1.00 0.00 C ATOM 953 NE1 TRP A 60 7.582 -8.946 4.139 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.462 -8.092 3.528 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.262 -8.219 1.922 1.00 0.00 C ATOM 956 CZ2 TRP A 60 8.618 -6.716 3.660 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.414 -6.852 2.055 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.596 -6.114 2.919 1.00 0.00 C ATOM 0 H TRP A 60 7.180 -11.553 0.932 1.00 0.00 H new ATOM 0 HA TRP A 60 9.613 -10.435 0.161 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.915 -12.314 2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.458 -11.496 2.307 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.263 -11.098 4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.871 -8.677 4.819 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.898 -8.780 1.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.988 -6.143 4.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.177 -6.344 1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.741 -5.047 3.002 1.00 0.00 H new ATOM 969 N GLU A 61 9.397 -13.673 -0.232 1.00 0.00 N ATOM 970 CA GLU A 61 10.047 -14.854 -0.751 1.00 0.00 C ATOM 971 C GLU A 61 10.378 -14.690 -2.226 1.00 0.00 C ATOM 972 O GLU A 61 11.375 -15.221 -2.714 1.00 0.00 O ATOM 973 CB GLU A 61 9.128 -16.050 -0.560 1.00 0.00 C ATOM 974 CG GLU A 61 8.890 -16.416 0.894 1.00 0.00 C ATOM 975 CD GLU A 61 8.051 -17.666 1.034 1.00 0.00 C ATOM 976 OE1 GLU A 61 7.987 -18.455 0.070 1.00 0.00 O ATOM 977 OE2 GLU A 61 7.467 -17.881 2.115 1.00 0.00 O ATOM 0 H GLU A 61 8.408 -13.801 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 61 10.980 -15.009 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.169 -15.838 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.555 -16.910 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.848 -16.565 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.394 -15.588 1.400 1.00 0.00 H new ATOM 984 N GLN A 62 9.540 -13.941 -2.925 1.00 0.00 N ATOM 985 CA GLN A 62 9.685 -13.771 -4.356 1.00 0.00 C ATOM 986 C GLN A 62 10.497 -12.526 -4.682 1.00 0.00 C ATOM 987 O GLN A 62 11.577 -12.604 -5.272 1.00 0.00 O ATOM 988 CB GLN A 62 8.305 -13.667 -5.011 1.00 0.00 C ATOM 989 CG GLN A 62 7.404 -14.871 -4.777 1.00 0.00 C ATOM 990 CD GLN A 62 7.936 -16.149 -5.400 1.00 0.00 C ATOM 991 OE1 GLN A 62 9.144 -16.359 -5.505 1.00 0.00 O ATOM 992 NE2 GLN A 62 7.031 -17.003 -5.841 1.00 0.00 N ATOM 0 H GLN A 62 8.750 -13.440 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 62 10.214 -14.640 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.804 -12.775 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.435 -13.530 -6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.282 -15.021 -3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.415 -14.661 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.038 -16.794 -5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.325 -17.872 -6.287 1.00 0.00 H new ATOM 1001 N LYS A 63 9.978 -11.378 -4.271 1.00 0.00 N ATOM 1002 CA LYS A 63 10.512 -10.094 -4.701 1.00 0.00 C ATOM 1003 C LYS A 63 10.395 -9.056 -3.589 1.00 0.00 C ATOM 1004 O LYS A 63 9.400 -8.331 -3.507 1.00 0.00 O ATOM 1005 CB LYS A 63 9.767 -9.607 -5.948 1.00 0.00 C ATOM 1006 CG LYS A 63 9.903 -10.529 -7.152 1.00 0.00 C ATOM 1007 CD LYS A 63 9.008 -10.095 -8.303 1.00 0.00 C ATOM 1008 CE LYS A 63 9.089 -11.073 -9.464 1.00 0.00 C ATOM 1009 NZ LYS A 63 8.181 -10.697 -10.580 1.00 0.00 N ATOM 0 H LYS A 63 9.183 -11.310 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 63 11.567 -10.226 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.710 -9.496 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.138 -8.618 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.941 -10.542 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.650 -11.548 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.977 -10.022 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.302 -9.101 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.115 -11.115 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.835 -12.073 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.270 -11.392 -11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.199 -10.682 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.438 -9.754 -10.934 1.00 0.00 H new ATOM 1023 N PRO A 64 11.399 -8.989 -2.698 1.00 0.00 N ATOM 1024 CA PRO A 64 11.414 -8.029 -1.586 1.00 0.00 C ATOM 1025 C PRO A 64 11.305 -6.584 -2.066 1.00 0.00 C ATOM 1026 O PRO A 64 10.673 -5.750 -1.418 1.00 0.00 O ATOM 1027 CB PRO A 64 12.769 -8.270 -0.913 1.00 0.00 C ATOM 1028 CG PRO A 64 13.157 -9.651 -1.318 1.00 0.00 C ATOM 1029 CD PRO A 64 12.600 -9.845 -2.699 1.00 0.00 C ATOM 0 HA PRO A 64 10.565 -8.173 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.509 -7.539 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.693 -8.183 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.240 -9.770 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.752 -10.390 -0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.311 -9.541 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.351 -10.889 -2.890 1.00 0.00 H new ATOM 1037 N GLU A 65 11.908 -6.297 -3.213 1.00 0.00 N ATOM 1038 CA GLU A 65 11.864 -4.974 -3.796 1.00 0.00 C ATOM 1039 C GLU A 65 10.442 -4.618 -4.220 1.00 0.00 C ATOM 1040 O GLU A 65 9.998 -3.480 -4.058 1.00 0.00 O ATOM 1041 CB GLU A 65 12.804 -4.915 -4.996 1.00 0.00 C ATOM 1042 CG GLU A 65 14.286 -4.935 -4.644 1.00 0.00 C ATOM 1043 CD GLU A 65 14.720 -6.220 -3.969 1.00 0.00 C ATOM 1044 OE1 GLU A 65 14.606 -7.294 -4.597 1.00 0.00 O ATOM 1045 OE2 GLU A 65 15.181 -6.163 -2.811 1.00 0.00 O ATOM 0 H GLU A 65 12.438 -6.976 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 65 12.186 -4.248 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.588 -5.759 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.591 -4.009 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.871 -4.794 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.509 -4.094 -3.988 1.00 0.00 H new ATOM 1052 N THR A 66 9.727 -5.602 -4.752 1.00 0.00 N ATOM 1053 CA THR A 66 8.342 -5.410 -5.157 1.00 0.00 C ATOM 1054 C THR A 66 7.466 -5.156 -3.933 1.00 0.00 C ATOM 1055 O THR A 66 6.544 -4.339 -3.975 1.00 0.00 O ATOM 1056 CB THR A 66 7.813 -6.628 -5.941 1.00 0.00 C ATOM 1057 OG1 THR A 66 8.652 -6.878 -7.078 1.00 0.00 O ATOM 1058 CG2 THR A 66 6.379 -6.402 -6.408 1.00 0.00 C ATOM 0 H THR A 66 10.086 -6.543 -4.913 1.00 0.00 H new ATOM 0 HA THR A 66 8.302 -4.541 -5.814 1.00 0.00 H new ATOM 0 HB THR A 66 7.827 -7.490 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.163 -7.420 -7.732 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.033 -7.277 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.736 -6.239 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.341 -5.527 -7.058 1.00 0.00 H new ATOM 1066 N ALA A 67 7.780 -5.839 -2.838 1.00 0.00 N ATOM 1067 CA ALA A 67 7.084 -5.621 -1.578 1.00 0.00 C ATOM 1068 C ALA A 67 7.281 -4.182 -1.112 1.00 0.00 C ATOM 1069 O ALA A 67 6.340 -3.529 -0.658 1.00 0.00 O ATOM 1070 CB ALA A 67 7.576 -6.606 -0.525 1.00 0.00 C ATOM 0 H ALA A 67 8.512 -6.548 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 67 6.018 -5.790 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.047 -6.431 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.388 -7.625 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.646 -6.467 -0.369 1.00 0.00 H new ATOM 1076 N SER A 68 8.508 -3.686 -1.246 1.00 0.00 N ATOM 1077 CA SER A 68 8.821 -2.303 -0.912 1.00 0.00 C ATOM 1078 C SER A 68 8.046 -1.339 -1.812 1.00 0.00 C ATOM 1079 O SER A 68 7.526 -0.327 -1.344 1.00 0.00 O ATOM 1080 CB SER A 68 10.328 -2.057 -1.042 1.00 0.00 C ATOM 1081 OG SER A 68 11.062 -2.949 -0.216 1.00 0.00 O ATOM 0 H SER A 68 9.304 -4.226 -1.585 1.00 0.00 H new ATOM 0 HA SER A 68 8.521 -2.122 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.633 -2.184 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.557 -1.028 -0.766 1.00 0.00 H new ATOM 0 HG SER A 68 10.982 -3.861 -0.567 1.00 0.00 H new ATOM 1087 N ARG A 69 7.956 -1.669 -3.099 1.00 0.00 N ATOM 1088 CA ARG A 69 7.233 -0.847 -4.056 1.00 0.00 C ATOM 1089 C ARG A 69 5.735 -0.857 -3.768 1.00 0.00 C ATOM 1090 O ARG A 69 5.037 0.126 -4.016 1.00 0.00 O ATOM 1091 CB ARG A 69 7.507 -1.329 -5.480 1.00 0.00 C ATOM 1092 CG ARG A 69 8.908 -1.031 -5.961 1.00 0.00 C ATOM 1093 CD ARG A 69 8.899 -0.062 -7.125 1.00 0.00 C ATOM 1094 NE ARG A 69 8.396 1.259 -6.744 1.00 0.00 N ATOM 1095 CZ ARG A 69 8.450 2.335 -7.533 1.00 0.00 C ATOM 1096 NH1 ARG A 69 8.964 2.251 -8.756 1.00 0.00 N ATOM 1097 NH2 ARG A 69 7.983 3.496 -7.098 1.00 0.00 N ATOM 0 H ARG A 69 8.379 -2.506 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 69 7.586 0.179 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.336 -2.404 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.792 -0.861 -6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.494 -0.613 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.396 -1.958 -6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.910 0.037 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.281 -0.466 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 69 7.979 1.364 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.321 1.359 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.001 3.078 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.583 3.567 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.023 4.319 -7.699 1.00 0.00 H new ATOM 1111 N LEU A 70 5.241 -1.975 -3.259 1.00 0.00 N ATOM 1112 CA LEU A 70 3.853 -2.063 -2.838 1.00 0.00 C ATOM 1113 C LEU A 70 3.635 -1.199 -1.598 1.00 0.00 C ATOM 1114 O LEU A 70 2.670 -0.441 -1.519 1.00 0.00 O ATOM 1115 CB LEU A 70 3.469 -3.519 -2.554 1.00 0.00 C ATOM 1116 CG LEU A 70 1.997 -3.752 -2.203 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.097 -3.323 -3.351 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.759 -5.216 -1.857 1.00 0.00 C ATOM 0 H LEU A 70 5.779 -2.831 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 70 3.215 -1.695 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.716 -4.120 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.084 -3.886 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 70 1.752 -3.145 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.055 -3.497 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.247 -2.263 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.343 -3.901 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.708 -5.365 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.023 -5.839 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.376 -5.493 -1.002 1.00 0.00 H new ATOM 1130 N ARG A 71 4.562 -1.297 -0.652 1.00 0.00 N ATOM 1131 CA ARG A 71 4.494 -0.533 0.586 1.00 0.00 C ATOM 1132 C ARG A 71 4.591 0.963 0.323 1.00 0.00 C ATOM 1133 O ARG A 71 3.946 1.757 1.003 1.00 0.00 O ATOM 1134 CB ARG A 71 5.605 -0.982 1.533 1.00 0.00 C ATOM 1135 CG ARG A 71 5.291 -2.284 2.247 1.00 0.00 C ATOM 1136 CD ARG A 71 4.292 -2.071 3.373 1.00 0.00 C ATOM 1137 NE ARG A 71 4.925 -1.501 4.559 1.00 0.00 N ATOM 1138 CZ ARG A 71 4.336 -1.398 5.747 1.00 0.00 C ATOM 1139 NH1 ARG A 71 3.046 -1.666 5.884 1.00 0.00 N ATOM 1140 NH2 ARG A 71 5.038 -1.005 6.799 1.00 0.00 N ATOM 0 H ARG A 71 5.378 -1.905 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 71 3.527 -0.723 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.530 -1.099 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.780 -0.202 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.890 -3.004 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.210 -2.711 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.496 -1.409 3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.827 -3.022 3.631 1.00 0.00 H new ATOM 0 HE ARG A 71 5.882 -1.159 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.496 -1.954 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.603 -1.584 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.028 -0.782 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.589 -0.925 7.711 1.00 0.00 H new ATOM 1154 N GLY A 72 5.400 1.341 -0.658 1.00 0.00 N ATOM 1155 CA GLY A 72 5.506 2.738 -1.032 1.00 0.00 C ATOM 1156 C GLY A 72 4.181 3.298 -1.508 1.00 0.00 C ATOM 1157 O GLY A 72 3.823 4.433 -1.190 1.00 0.00 O ATOM 0 H GLY A 72 5.984 0.706 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.859 3.317 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.251 2.847 -1.821 1.00 0.00 H new ATOM 1161 N ARG A 73 3.444 2.495 -2.261 1.00 0.00 N ATOM 1162 CA ARG A 73 2.132 2.899 -2.740 1.00 0.00 C ATOM 1163 C ARG A 73 1.121 2.925 -1.595 1.00 0.00 C ATOM 1164 O ARG A 73 0.263 3.810 -1.533 1.00 0.00 O ATOM 1165 CB ARG A 73 1.667 1.974 -3.867 1.00 0.00 C ATOM 1166 CG ARG A 73 2.407 2.219 -5.172 1.00 0.00 C ATOM 1167 CD ARG A 73 1.901 1.329 -6.298 1.00 0.00 C ATOM 1168 NE ARG A 73 2.408 -0.041 -6.208 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.060 -1.022 -7.049 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.160 -0.802 -8.007 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.612 -2.224 -6.932 1.00 0.00 N ATOM 0 H ARG A 73 3.732 1.561 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 73 2.206 3.910 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.810 0.937 -3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.598 2.114 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.295 3.264 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.472 2.042 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.811 1.311 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.196 1.759 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 73 3.066 -0.261 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.732 0.119 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.900 -1.554 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.301 -2.400 -6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.347 -2.972 -7.573 1.00 0.00 H new ATOM 1185 N ILE A 74 1.237 1.961 -0.687 1.00 0.00 N ATOM 1186 CA ILE A 74 0.399 1.916 0.508 1.00 0.00 C ATOM 1187 C ILE A 74 0.658 3.140 1.386 1.00 0.00 C ATOM 1188 O ILE A 74 -0.268 3.712 1.967 1.00 0.00 O ATOM 1189 CB ILE A 74 0.646 0.621 1.320 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.303 -0.612 0.478 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.170 0.622 2.605 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.591 -1.930 1.169 1.00 0.00 C ATOM 0 H ILE A 74 1.908 1.196 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.642 1.921 0.185 1.00 0.00 H new ATOM 0 HB ILE A 74 1.703 0.584 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.754 -0.576 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.867 -0.571 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.021 -0.298 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.115 1.478 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.231 0.686 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.321 -2.754 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.652 -1.990 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.007 -1.995 2.087 1.00 0.00 H new ATOM 1204 N GLU A 75 1.925 3.542 1.463 1.00 0.00 N ATOM 1205 CA GLU A 75 2.322 4.740 2.193 1.00 0.00 C ATOM 1206 C GLU A 75 1.529 5.948 1.713 1.00 0.00 C ATOM 1207 O GLU A 75 0.976 6.698 2.519 1.00 0.00 O ATOM 1208 CB GLU A 75 3.813 4.990 1.982 1.00 0.00 C ATOM 1209 CG GLU A 75 4.356 6.186 2.741 1.00 0.00 C ATOM 1210 CD GLU A 75 5.753 6.557 2.296 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.727 5.989 2.831 1.00 0.00 O ATOM 1212 OE2 GLU A 75 5.890 7.419 1.402 1.00 0.00 O ATOM 0 H GLU A 75 2.701 3.048 1.023 1.00 0.00 H new ATOM 0 HA GLU A 75 2.118 4.590 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.366 4.100 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.999 5.134 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.692 7.038 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.363 5.965 3.808 1.00 0.00 H new ATOM 1219 N SER A 76 1.462 6.112 0.399 1.00 0.00 N ATOM 1220 CA SER A 76 0.743 7.228 -0.201 1.00 0.00 C ATOM 1221 C SER A 76 -0.745 7.175 0.138 1.00 0.00 C ATOM 1222 O SER A 76 -1.328 8.185 0.521 1.00 0.00 O ATOM 1223 CB SER A 76 0.948 7.222 -1.713 1.00 0.00 C ATOM 1224 OG SER A 76 2.324 7.342 -2.039 1.00 0.00 O ATOM 0 H SER A 76 1.899 5.483 -0.275 1.00 0.00 H new ATOM 0 HA SER A 76 1.142 8.155 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.550 6.299 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.391 8.044 -2.163 1.00 0.00 H new ATOM 0 HG SER A 76 2.431 7.334 -3.013 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.341 5.992 0.025 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.765 5.820 0.299 1.00 0.00 C ATOM 1232 C VAL A 77 -3.090 6.129 1.759 1.00 0.00 C ATOM 1233 O VAL A 77 -4.009 6.898 2.048 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.236 4.386 -0.033 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.704 4.200 0.317 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.996 4.073 -1.501 1.00 0.00 C ATOM 0 H VAL A 77 -0.860 5.137 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.295 6.524 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.653 3.691 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.010 3.183 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.849 4.377 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.307 4.906 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.334 3.059 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.550 4.779 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.932 4.156 -1.721 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.322 5.542 2.669 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.575 5.695 4.096 1.00 0.00 C ATOM 1248 C LEU A 78 -2.337 7.128 4.551 1.00 0.00 C ATOM 1249 O LEU A 78 -3.059 7.642 5.408 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.702 4.733 4.906 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.017 3.246 4.711 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.091 2.388 5.558 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.471 2.957 5.055 1.00 0.00 C ATOM 0 H LEU A 78 -1.519 4.955 2.444 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.623 5.453 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.658 4.905 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.807 4.975 5.964 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.855 2.997 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.330 1.335 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.057 2.571 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.221 2.641 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.675 1.896 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.659 3.224 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.122 3.544 4.407 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.328 7.776 3.980 1.00 0.00 N ATOM 1266 CA ASP A 79 -1.013 9.154 4.342 1.00 0.00 C ATOM 1267 C ASP A 79 -2.055 10.108 3.769 1.00 0.00 C ATOM 1268 O ASP A 79 -2.515 11.023 4.450 1.00 0.00 O ATOM 1269 CB ASP A 79 0.385 9.537 3.856 1.00 0.00 C ATOM 1270 CG ASP A 79 0.791 10.924 4.305 1.00 0.00 C ATOM 1271 OD1 ASP A 79 0.867 11.158 5.530 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.064 11.780 3.440 1.00 0.00 O ATOM 0 H ASP A 79 -0.717 7.373 3.269 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.030 9.233 5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.108 8.811 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.415 9.487 2.768 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.441 9.863 2.521 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.473 10.652 1.857 1.00 0.00 C ATOM 1279 C TRP A 80 -4.776 10.582 2.648 1.00 0.00 C ATOM 1280 O TRP A 80 -5.414 11.603 2.901 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.678 10.129 0.433 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.705 10.873 -0.368 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.520 12.034 -1.063 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.067 10.489 -0.583 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.686 12.396 -1.694 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.651 11.464 -1.413 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.852 9.415 -0.149 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.981 11.395 -1.819 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.171 9.350 -0.554 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.722 10.334 -1.382 1.00 0.00 C ATOM 0 H TRP A 80 -2.051 9.117 1.945 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.158 11.694 1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.725 10.171 -0.095 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.968 9.080 0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.593 12.587 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.813 13.224 -2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.435 8.651 0.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.411 12.153 -2.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.787 8.526 -0.226 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.756 10.253 -1.682 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.147 9.372 3.057 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.344 9.162 3.862 1.00 0.00 C ATOM 1303 C ALA A 81 -6.257 9.919 5.181 1.00 0.00 C ATOM 1304 O ALA A 81 -7.260 10.424 5.684 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.548 7.681 4.132 1.00 0.00 C ATOM 0 H ALA A 81 -4.632 8.518 2.842 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.196 9.544 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.446 7.541 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.659 7.151 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.686 7.287 4.670 1.00 0.00 H new ATOM 1311 N THR A 82 -5.054 9.993 5.734 1.00 0.00 N ATOM 1312 CA THR A 82 -4.822 10.716 6.974 1.00 0.00 C ATOM 1313 C THR A 82 -5.061 12.211 6.768 1.00 0.00 C ATOM 1314 O THR A 82 -5.747 12.855 7.561 1.00 0.00 O ATOM 1315 CB THR A 82 -3.384 10.485 7.485 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.133 9.077 7.614 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.159 11.170 8.825 1.00 0.00 C ATOM 0 H THR A 82 -4.220 9.558 5.340 1.00 0.00 H new ATOM 0 HA THR A 82 -5.522 10.339 7.720 1.00 0.00 H new ATOM 0 HB THR A 82 -2.694 10.917 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.038 8.679 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.137 10.989 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.321 12.242 8.717 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.857 10.770 9.560 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.512 12.741 5.682 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.671 14.148 5.338 1.00 0.00 C ATOM 1327 C VAL A 83 -6.128 14.468 5.000 1.00 0.00 C ATOM 1328 O VAL A 83 -6.650 15.516 5.379 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.763 14.533 4.147 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.942 15.994 3.766 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.308 14.251 4.479 1.00 0.00 C ATOM 0 H VAL A 83 -3.947 12.211 5.018 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.375 14.733 6.209 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.056 13.924 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.290 16.233 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.979 16.172 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.685 16.626 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.681 14.527 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.014 14.834 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.183 13.189 4.692 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.784 13.554 4.296 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.177 13.739 3.910 1.00 0.00 C ATOM 1343 C ARG A 84 -9.115 13.574 5.103 1.00 0.00 C ATOM 1344 O ARG A 84 -10.216 14.124 5.114 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.555 12.747 2.814 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.873 13.013 1.482 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.309 14.340 0.880 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.752 14.393 0.667 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.335 14.980 -0.377 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -9.598 15.568 -1.314 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -11.658 14.978 -0.474 1.00 0.00 N ATOM 0 H ARG A 84 -6.373 12.676 3.980 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.285 14.756 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.302 11.740 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.635 12.774 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.792 13.015 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.104 12.205 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.009 15.154 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.796 14.494 -0.069 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.353 13.952 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.581 15.571 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.049 16.016 -2.111 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.222 14.529 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.112 15.425 -1.270 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.683 12.815 6.098 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.492 12.618 7.281 1.00 0.00 C ATOM 1367 C GLY A 85 -10.376 11.390 7.178 1.00 0.00 C ATOM 1368 O GLY A 85 -11.483 11.371 7.711 1.00 0.00 O ATOM 0 H GLY A 85 -7.785 12.331 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.842 12.523 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.114 13.498 7.443 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.890 10.367 6.485 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.611 9.102 6.382 1.00 0.00 C ATOM 1374 C TYR A 86 -10.134 8.137 7.459 1.00 0.00 C ATOM 1375 O TYR A 86 -10.577 6.991 7.530 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.421 8.470 4.999 1.00 0.00 C ATOM 1377 CG TYR A 86 -11.115 9.208 3.874 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.491 9.384 3.883 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.394 9.717 2.804 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -13.132 10.050 2.855 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -11.027 10.384 1.771 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.397 10.548 1.802 1.00 0.00 C ATOM 1383 OH TYR A 86 -13.034 11.214 0.776 1.00 0.00 O ATOM 0 H TYR A 86 -9.001 10.388 5.986 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.672 9.307 6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.354 8.418 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.791 7.445 5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.071 8.994 4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.322 9.591 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.204 10.179 2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.452 10.775 0.944 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.373 11.502 0.113 1.00 0.00 H new ATOM 1393 N ARG A 87 -9.223 8.621 8.292 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.641 7.827 9.361 1.00 0.00 C ATOM 1395 C ARG A 87 -7.882 8.746 10.309 1.00 0.00 C ATOM 1396 O ARG A 87 -7.921 9.969 10.156 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.704 6.759 8.781 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.512 7.336 8.031 1.00 0.00 C ATOM 1399 CD ARG A 87 -5.730 6.260 7.293 1.00 0.00 C ATOM 1400 NE ARG A 87 -5.240 5.206 8.180 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.049 5.232 8.777 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.265 6.295 8.650 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -3.651 4.200 9.514 1.00 0.00 N ATOM 0 H ARG A 87 -8.868 9.576 8.244 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.434 7.319 9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.341 6.127 9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.271 6.118 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.859 8.085 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.853 7.846 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.366 5.817 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.885 6.719 6.780 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.846 4.403 8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.574 7.093 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.353 6.314 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.257 3.387 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.739 4.221 9.971 1.00 0.00 H new ATOM 1417 N GLU A 88 -7.197 8.166 11.280 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.406 8.945 12.222 1.00 0.00 C ATOM 1419 C GLU A 88 -4.949 9.016 11.771 1.00 0.00 C ATOM 1420 O GLU A 88 -4.559 8.355 10.807 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.531 8.348 13.625 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.934 8.493 14.195 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.144 7.703 15.465 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -7.710 8.162 16.539 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.758 6.623 15.394 1.00 0.00 O ATOM 0 H GLU A 88 -7.172 7.159 11.438 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.788 9.965 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.262 7.292 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.819 8.838 14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.132 9.546 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.658 8.168 13.448 1.00 0.00 H new ATOM 1432 N GLY A 89 -4.155 9.815 12.472 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.804 10.099 12.029 1.00 0.00 C ATOM 1434 C GLY A 89 -1.796 9.043 12.424 1.00 0.00 C ATOM 1435 O GLY A 89 -1.471 8.895 13.600 1.00 0.00 O ATOM 0 H GLY A 89 -4.424 10.273 13.343 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.802 10.202 10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.491 11.058 12.441 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.307 8.319 11.423 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.240 7.332 11.603 1.00 0.00 C ATOM 1441 C ASP A 90 0.142 6.725 10.257 1.00 0.00 C ATOM 1442 O ASP A 90 -0.699 6.616 9.364 1.00 0.00 O ATOM 1443 CB ASP A 90 -0.663 6.220 12.566 1.00 0.00 C ATOM 1444 CG ASP A 90 0.479 5.271 12.884 1.00 0.00 C ATOM 1445 OD1 ASP A 90 1.442 5.703 13.557 1.00 0.00 O ATOM 1446 OD2 ASP A 90 0.425 4.101 12.454 1.00 0.00 O ATOM 0 H ASP A 90 -1.638 8.398 10.461 1.00 0.00 H new ATOM 0 HA ASP A 90 0.620 7.846 12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.033 6.664 13.491 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.489 5.658 12.129 1.00 0.00 H new ATOM 1451 N ASN A 91 1.401 6.340 10.109 1.00 0.00 N ATOM 1452 CA ASN A 91 1.869 5.725 8.872 1.00 0.00 C ATOM 1453 C ASN A 91 2.447 4.338 9.144 1.00 0.00 C ATOM 1454 O ASN A 91 3.639 4.190 9.411 1.00 0.00 O ATOM 1455 CB ASN A 91 2.899 6.604 8.159 1.00 0.00 C ATOM 1456 CG ASN A 91 3.374 5.988 6.848 1.00 0.00 C ATOM 1457 OD1 ASN A 91 4.366 5.267 6.813 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.658 6.254 5.761 1.00 0.00 N ATOM 0 H ASN A 91 2.117 6.442 10.828 1.00 0.00 H new ATOM 0 HA ASN A 91 1.008 5.622 8.212 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.463 7.583 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.755 6.762 8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.928 5.854 4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.838 6.858 5.825 1.00 0.00 H new ATOM 1465 N PRO A 92 1.587 3.309 9.122 1.00 0.00 N ATOM 1466 CA PRO A 92 1.982 1.914 9.371 1.00 0.00 C ATOM 1467 C PRO A 92 2.851 1.326 8.253 1.00 0.00 C ATOM 1468 O PRO A 92 3.141 0.130 8.250 1.00 0.00 O ATOM 1469 CB PRO A 92 0.644 1.158 9.449 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.402 2.212 9.571 1.00 0.00 C ATOM 1471 CD PRO A 92 0.147 3.417 8.870 1.00 0.00 C ATOM 0 HA PRO A 92 2.590 1.836 10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.485 0.549 8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.623 0.484 10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.338 1.888 9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.615 2.432 10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.080 3.403 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.266 4.342 9.272 1.00 0.00 H new ATOM 1479 N ALA A 93 3.250 2.164 7.299 1.00 0.00 N ATOM 1480 CA ALA A 93 4.059 1.720 6.167 1.00 0.00 C ATOM 1481 C ALA A 93 5.551 1.878 6.449 1.00 0.00 C ATOM 1482 O ALA A 93 6.384 1.540 5.608 1.00 0.00 O ATOM 1483 CB ALA A 93 3.671 2.479 4.908 1.00 0.00 C ATOM 0 H ALA A 93 3.025 3.159 7.288 1.00 0.00 H new ATOM 0 HA ALA A 93 3.862 0.659 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.283 2.137 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.619 2.299 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.832 3.546 5.062 1.00 0.00 H new ATOM 1489 N ARG A 94 5.882 2.364 7.636 1.00 0.00 N ATOM 1490 CA ARG A 94 7.271 2.476 8.054 1.00 0.00 C ATOM 1491 C ARG A 94 7.779 1.133 8.580 1.00 0.00 C ATOM 1492 O ARG A 94 6.982 0.256 8.925 1.00 0.00 O ATOM 1493 CB ARG A 94 7.410 3.555 9.133 1.00 0.00 C ATOM 1494 CG ARG A 94 6.653 3.243 10.419 1.00 0.00 C ATOM 1495 CD ARG A 94 6.789 4.360 11.442 1.00 0.00 C ATOM 1496 NE ARG A 94 6.213 5.616 10.962 1.00 0.00 N ATOM 1497 CZ ARG A 94 5.365 6.365 11.666 1.00 0.00 C ATOM 1498 NH1 ARG A 94 5.007 6.002 12.894 1.00 0.00 N ATOM 1499 NH2 ARG A 94 4.885 7.487 11.142 1.00 0.00 N ATOM 0 H ARG A 94 5.206 2.688 8.328 1.00 0.00 H new ATOM 0 HA ARG A 94 7.874 2.761 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.466 3.687 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.052 4.503 8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.599 3.086 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.029 2.313 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.295 4.065 12.368 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.843 4.511 11.676 1.00 0.00 H new ATOM 0 HE ARG A 94 6.477 5.938 10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.382 5.146 13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.358 6.580 13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.166 7.773 10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.236 8.063 11.678 1.00 0.00 H new ATOM 1513 N TRP A 95 9.099 0.971 8.622 1.00 0.00 N ATOM 1514 CA TRP A 95 9.713 -0.242 9.161 1.00 0.00 C ATOM 1515 C TRP A 95 11.160 0.004 9.554 1.00 0.00 C ATOM 1516 O TRP A 95 11.988 0.356 8.715 1.00 0.00 O ATOM 1517 CB TRP A 95 9.660 -1.392 8.153 1.00 0.00 C ATOM 1518 CG TRP A 95 8.742 -2.497 8.576 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.689 -3.100 9.797 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.753 -3.132 7.770 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.715 -4.067 9.801 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.125 -4.106 8.565 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.334 -2.964 6.454 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.098 -4.912 8.079 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.316 -3.759 5.975 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.703 -4.720 6.786 1.00 0.00 C ATOM 0 H TRP A 95 9.767 1.666 8.288 1.00 0.00 H new ATOM 0 HA TRP A 95 9.140 -0.518 10.046 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.335 -1.007 7.187 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.664 -1.794 8.015 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.320 -2.853 10.638 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.470 -4.660 10.594 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.798 -2.224 5.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.631 -5.661 8.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.985 -3.638 4.954 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.902 -5.321 6.382 1.00 0.00 H new ATOM 1537 N ARG A 96 11.461 -0.174 10.831 1.00 0.00 N ATOM 1538 CA ARG A 96 12.826 -0.072 11.308 1.00 0.00 C ATOM 1539 C ARG A 96 13.353 -1.432 11.756 1.00 0.00 C ATOM 1540 O ARG A 96 14.563 -1.619 11.908 1.00 0.00 O ATOM 1541 CB ARG A 96 12.896 0.920 12.461 1.00 0.00 C ATOM 1542 CG ARG A 96 12.621 2.354 12.049 1.00 0.00 C ATOM 1543 CD ARG A 96 12.694 3.291 13.238 1.00 0.00 C ATOM 1544 NE ARG A 96 12.441 4.678 12.855 1.00 0.00 N ATOM 1545 CZ ARG A 96 12.152 5.645 13.720 1.00 0.00 C ATOM 1546 NH1 ARG A 96 12.099 5.382 15.021 1.00 0.00 N ATOM 1547 NH2 ARG A 96 11.927 6.878 13.286 1.00 0.00 N ATOM 0 H ARG A 96 10.775 -0.390 11.555 1.00 0.00 H new ATOM 0 HA ARG A 96 13.451 0.281 10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.176 0.627 13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.885 0.865 12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.344 2.663 11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.634 2.420 11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.966 2.983 13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.679 3.216 13.700 1.00 0.00 H new ATOM 0 HE ARG A 96 12.489 4.919 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.280 4.436 15.358 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.877 6.126 15.683 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.976 7.084 12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.705 7.620 13.950 1.00 0.00 H new ATOM 1561 N GLY A 97 12.449 -2.383 11.955 1.00 0.00 N ATOM 1562 CA GLY A 97 12.847 -3.682 12.452 1.00 0.00 C ATOM 1563 C GLY A 97 11.858 -4.772 12.101 1.00 0.00 C ATOM 1564 O GLY A 97 10.832 -4.926 12.766 1.00 0.00 O ATOM 0 H GLY A 97 11.450 -2.276 11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.824 -3.939 12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.958 -3.633 13.535 1.00 0.00 H new ATOM 1568 N TYR A 98 12.156 -5.514 11.047 1.00 0.00 N ATOM 1569 CA TYR A 98 11.337 -6.656 10.659 1.00 0.00 C ATOM 1570 C TYR A 98 12.210 -7.742 10.045 1.00 0.00 C ATOM 1571 O TYR A 98 12.051 -8.926 10.337 1.00 0.00 O ATOM 1572 CB TYR A 98 10.247 -6.236 9.665 1.00 0.00 C ATOM 1573 CG TYR A 98 9.282 -7.348 9.305 1.00 0.00 C ATOM 1574 CD1 TYR A 98 8.259 -7.713 10.172 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.394 -8.034 8.102 1.00 0.00 C ATOM 1576 CE1 TYR A 98 7.378 -8.728 9.850 1.00 0.00 C ATOM 1577 CE2 TYR A 98 8.516 -9.050 7.771 1.00 0.00 C ATOM 1578 CZ TYR A 98 7.510 -9.394 8.649 1.00 0.00 C ATOM 1579 OH TYR A 98 6.634 -10.408 8.325 1.00 0.00 O ATOM 0 H TYR A 98 12.960 -5.347 10.442 1.00 0.00 H new ATOM 0 HA TYR A 98 10.853 -7.048 11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.685 -5.403 10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.721 -5.871 8.754 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.151 -7.195 11.113 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.182 -7.769 7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.589 -8.999 10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.618 -9.571 6.830 1.00 0.00 H new ATOM 0 HH TYR A 98 6.865 -10.771 7.445 1.00 0.00 H new ATOM 1589 N LEU A 99 13.139 -7.333 9.198 1.00 0.00 N ATOM 1590 CA LEU A 99 14.003 -8.277 8.513 1.00 0.00 C ATOM 1591 C LEU A 99 15.311 -8.457 9.271 1.00 0.00 C ATOM 1592 O LEU A 99 15.710 -9.582 9.578 1.00 0.00 O ATOM 1593 CB LEU A 99 14.290 -7.791 7.091 1.00 0.00 C ATOM 1594 CG LEU A 99 13.064 -7.652 6.183 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.459 -7.064 4.837 1.00 0.00 C ATOM 1596 CD2 LEU A 99 12.386 -9.001 5.991 1.00 0.00 C ATOM 0 H LEU A 99 13.314 -6.355 8.969 1.00 0.00 H new ATOM 0 HA LEU A 99 13.492 -9.239 8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.789 -6.824 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 99 14.991 -8.483 6.623 1.00 0.00 H new ATOM 0 HG LEU A 99 12.358 -6.974 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.575 -6.973 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.901 -6.079 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.184 -7.718 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.517 -8.883 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.087 -9.699 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.067 -9.389 6.958 1.00 0.00 H new ATOM 1608 N GLU A 100 15.955 -7.331 9.580 1.00 0.00 N ATOM 1609 CA GLU A 100 17.264 -7.316 10.233 1.00 0.00 C ATOM 1610 C GLU A 100 18.287 -8.071 9.371 1.00 0.00 C ATOM 1611 O GLU A 100 18.044 -8.302 8.183 1.00 0.00 O ATOM 1612 CB GLU A 100 17.169 -7.906 11.651 1.00 0.00 C ATOM 1613 CG GLU A 100 18.340 -7.534 12.552 1.00 0.00 C ATOM 1614 CD GLU A 100 18.151 -7.974 13.987 1.00 0.00 C ATOM 1615 OE1 GLU A 100 18.425 -9.148 14.297 1.00 0.00 O ATOM 1616 OE2 GLU A 100 17.760 -7.131 14.821 1.00 0.00 O ATOM 0 H GLU A 100 15.583 -6.402 9.384 1.00 0.00 H new ATOM 0 HA GLU A 100 17.603 -6.285 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.243 -7.565 12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.109 -8.992 11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 100 19.251 -7.984 12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 100 18.481 -6.454 12.526 1.00 0.00 H new ATOM 1623 N HIS A 101 19.428 -8.434 9.964 1.00 0.00 N ATOM 1624 CA HIS A 101 20.513 -9.122 9.251 1.00 0.00 C ATOM 1625 C HIS A 101 21.105 -8.210 8.183 1.00 0.00 C ATOM 1626 O HIS A 101 20.624 -7.089 7.984 1.00 0.00 O ATOM 1627 CB HIS A 101 20.031 -10.431 8.601 1.00 0.00 C ATOM 1628 CG HIS A 101 19.454 -11.422 9.563 1.00 0.00 C ATOM 1629 ND1 HIS A 101 18.234 -11.476 10.144 1.00 0.00 N flip ATOM 1630 CD2 HIS A 101 20.142 -12.523 10.025 1.00 0.00 C flip ATOM 1631 CE1 HIS A 101 18.207 -12.590 10.941 1.00 0.00 C flip ATOM 1632 NE2 HIS A 101 19.371 -13.206 10.851 1.00 0.00 N flip ATOM 0 H HIS A 101 19.627 -8.261 10.949 1.00 0.00 H new ATOM 0 HA HIS A 101 21.278 -9.371 9.987 1.00 0.00 H new ATOM 0 HB2 HIS A 101 19.279 -10.194 7.848 1.00 0.00 H new ATOM 0 HB3 HIS A 101 20.869 -10.894 8.080 1.00 0.00 H new ATOM 0 HD1 HIS A 101 17.473 -10.809 10.013 1.00 0.00 H new ATOM 0 HD2 HIS A 101 21.154 -12.786 9.754 1.00 0.00 H new ATOM 0 HE1 HIS A 101 17.371 -12.911 11.544 1.00 0.00 H new ATOM 1641 N HIS A 102 22.157 -8.685 7.515 1.00 0.00 N ATOM 1642 CA HIS A 102 22.767 -7.952 6.405 1.00 0.00 C ATOM 1643 C HIS A 102 23.257 -6.580 6.881 1.00 0.00 C ATOM 1644 O HIS A 102 23.466 -6.372 8.080 1.00 0.00 O ATOM 1645 CB HIS A 102 21.741 -7.793 5.270 1.00 0.00 C ATOM 1646 CG HIS A 102 22.270 -8.102 3.902 1.00 0.00 C ATOM 1647 ND1 HIS A 102 23.242 -7.511 3.169 1.00 0.00 N flip ATOM 1648 CD2 HIS A 102 21.762 -9.110 3.113 1.00 0.00 C flip ATOM 1649 CE1 HIS A 102 23.303 -8.170 1.969 1.00 0.00 C flip ATOM 1650 NE2 HIS A 102 22.401 -9.129 1.961 1.00 0.00 N flip ATOM 0 H HIS A 102 22.605 -9.577 7.724 1.00 0.00 H new ATOM 0 HA HIS A 102 23.626 -8.511 6.033 1.00 0.00 H new ATOM 0 HB2 HIS A 102 20.891 -8.445 5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 102 21.366 -6.769 5.278 1.00 0.00 H new ATOM 0 HD2 HIS A 102 20.964 -9.781 3.395 1.00 0.00 H new ATOM 0 HE1 HIS A 102 23.981 -7.940 1.161 1.00 0.00 H new ATOM 0 HE2 HIS A 102 22.226 -9.777 1.193 1.00 0.00 H new ATOM 1659 N HIS A 103 23.477 -5.675 5.931 1.00 0.00 N ATOM 1660 CA HIS A 103 23.763 -4.271 6.217 1.00 0.00 C ATOM 1661 C HIS A 103 25.025 -4.104 7.068 1.00 0.00 C ATOM 1662 O HIS A 103 24.953 -3.979 8.290 1.00 0.00 O ATOM 1663 CB HIS A 103 22.554 -3.617 6.907 1.00 0.00 C ATOM 1664 CG HIS A 103 22.600 -2.116 6.944 1.00 0.00 C ATOM 1665 ND1 HIS A 103 21.696 -1.320 6.275 1.00 0.00 N ATOM 1666 CD2 HIS A 103 23.438 -1.267 7.582 1.00 0.00 C ATOM 1667 CE1 HIS A 103 21.980 -0.052 6.495 1.00 0.00 C ATOM 1668 NE2 HIS A 103 23.034 0.012 7.286 1.00 0.00 N ATOM 0 H HIS A 103 23.462 -5.896 4.935 1.00 0.00 H new ATOM 0 HA HIS A 103 23.948 -3.770 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 103 21.645 -3.928 6.393 1.00 0.00 H new ATOM 0 HB3 HIS A 103 22.487 -3.992 7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 103 24.272 -1.544 8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 103 21.440 0.793 6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 103 23.475 0.868 7.622 1.00 0.00 H new ATOM 1677 N HIS A 104 26.183 -4.122 6.421 1.00 0.00 N ATOM 1678 CA HIS A 104 27.429 -3.809 7.103 1.00 0.00 C ATOM 1679 C HIS A 104 28.447 -3.251 6.113 1.00 0.00 C ATOM 1680 O HIS A 104 28.379 -3.529 4.914 1.00 0.00 O ATOM 1681 CB HIS A 104 27.995 -5.036 7.859 1.00 0.00 C ATOM 1682 CG HIS A 104 28.658 -6.100 7.017 1.00 0.00 C ATOM 1683 ND1 HIS A 104 28.635 -6.341 5.684 1.00 0.00 N flip ATOM 1684 CD2 HIS A 104 29.476 -7.068 7.557 1.00 0.00 C flip ATOM 1685 CE1 HIS A 104 29.432 -7.432 5.446 1.00 0.00 C flip ATOM 1686 NE2 HIS A 104 29.926 -7.850 6.595 1.00 0.00 N flip ATOM 0 H HIS A 104 26.284 -4.349 5.432 1.00 0.00 H new ATOM 0 HA HIS A 104 27.219 -3.045 7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 104 28.719 -4.681 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 104 27.180 -5.500 8.415 1.00 0.00 H new ATOM 0 HD1 HIS A 104 28.119 -5.808 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 104 29.712 -7.171 8.606 1.00 0.00 H new ATOM 0 HE1 HIS A 104 29.623 -7.874 4.479 1.00 0.00 H new ATOM 1695 N HIS A 105 29.361 -2.443 6.613 1.00 0.00 N ATOM 1696 CA HIS A 105 30.446 -1.921 5.799 1.00 0.00 C ATOM 1697 C HIS A 105 31.753 -2.100 6.553 1.00 0.00 C ATOM 1698 O HIS A 105 32.804 -2.333 5.961 1.00 0.00 O ATOM 1699 CB HIS A 105 30.212 -0.445 5.466 1.00 0.00 C ATOM 1700 CG HIS A 105 30.811 -0.030 4.157 1.00 0.00 C ATOM 1701 ND1 HIS A 105 31.792 0.929 4.037 1.00 0.00 N ATOM 1702 CD2 HIS A 105 30.538 -0.443 2.897 1.00 0.00 C ATOM 1703 CE1 HIS A 105 32.096 1.087 2.761 1.00 0.00 C ATOM 1704 NE2 HIS A 105 31.350 0.265 2.048 1.00 0.00 N ATOM 0 H HIS A 105 29.375 -2.131 7.584 1.00 0.00 H new ATOM 0 HA HIS A 105 30.490 -2.468 4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 105 29.140 -0.250 5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 105 30.632 0.171 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 105 29.814 -1.192 2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 105 32.831 1.773 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 105 31.373 0.171 1.033 1.00 0.00 H new ATOM 1713 N HIS A 106 31.655 -2.003 7.870 1.00 0.00 N ATOM 1714 CA HIS A 106 32.761 -2.286 8.772 1.00 0.00 C ATOM 1715 C HIS A 106 32.196 -2.439 10.181 1.00 0.00 C ATOM 1716 O HIS A 106 32.607 -1.688 11.087 1.00 0.00 O ATOM 1717 CB HIS A 106 33.814 -1.169 8.727 1.00 0.00 C ATOM 1718 CG HIS A 106 35.074 -1.487 9.483 1.00 0.00 C ATOM 1719 ND1 HIS A 106 35.316 -1.043 10.766 1.00 0.00 N ATOM 1720 CD2 HIS A 106 36.172 -2.195 9.122 1.00 0.00 C ATOM 1721 CE1 HIS A 106 36.504 -1.458 11.158 1.00 0.00 C ATOM 1722 NE2 HIS A 106 37.044 -2.160 10.184 1.00 0.00 N ATOM 1723 OXT HIS A 106 31.284 -3.270 10.355 1.00 0.00 O ATOM 0 H HIS A 106 30.798 -1.723 8.347 1.00 0.00 H new ATOM 0 HA HIS A 106 33.259 -3.206 8.465 1.00 0.00 H new ATOM 0 HB2 HIS A 106 34.068 -0.965 7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 106 33.379 -0.256 9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 106 36.332 -2.693 8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 106 36.958 -1.256 12.117 1.00 0.00 H new ATOM 0 HE2 HIS A 106 37.961 -2.606 10.213 1.00 0.00 H new TER 1732 HIS A 106