USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 24 THR OG1 : rot 180:sc= -0.0467 USER MOD Set 1.2: A 40 HIS : no HD1:sc= -1.64 X(o=-1.7,f=-1.5) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 53 GLN :FLIP amide:sc= -0.274 F(o=-1.5,f=-0.27) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.355 USER MOD Single : A 3 ASN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 35:sc= 0.392 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -2.43 F(o=-5.3!,f=-2.4) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.13 K(o=-0.13,f=-5!) USER MOD Single : A 41 THR OG1 : rot 48:sc= -1.84! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.117 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.95) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.772 19.234 -9.524 1.00 0.00 N ATOM 2 CA ALA A 1 -12.355 18.863 -9.767 1.00 0.00 C ATOM 3 C ALA A 1 -11.499 19.027 -8.490 1.00 0.00 C ATOM 4 O ALA A 1 -10.839 20.048 -8.254 1.00 0.00 O ATOM 5 CB ALA A 1 -11.814 19.705 -10.926 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.318 19.112 -10.401 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.168 18.623 -8.782 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.823 20.227 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.300 17.809 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.773 19.440 -11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.404 19.512 -11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.879 20.762 -10.669 1.00 0.00 H new ATOM 13 N SER A 2 -11.633 18.029 -7.630 1.00 0.00 N ATOM 14 CA SER A 2 -10.965 18.020 -6.300 1.00 0.00 C ATOM 15 C SER A 2 -10.839 16.608 -5.746 1.00 0.00 C ATOM 16 O SER A 2 -11.724 16.073 -5.080 1.00 0.00 O ATOM 17 CB SER A 2 -11.699 18.919 -5.288 1.00 0.00 C ATOM 18 OG SER A 2 -13.074 18.552 -5.194 1.00 0.00 O ATOM 0 H SER A 2 -12.199 17.201 -7.814 1.00 0.00 H new ATOM 0 HA SER A 2 -9.963 18.422 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.227 18.834 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.616 19.962 -5.593 1.00 0.00 H new ATOM 0 HG SER A 2 -13.147 17.580 -5.089 1.00 0.00 H new ATOM 24 N ASN A 3 -9.751 15.973 -6.158 1.00 0.00 N ATOM 25 CA ASN A 3 -9.419 14.594 -5.758 1.00 0.00 C ATOM 26 C ASN A 3 -8.111 14.172 -6.395 1.00 0.00 C ATOM 27 O ASN A 3 -7.893 14.296 -7.603 1.00 0.00 O ATOM 28 CB ASN A 3 -10.503 13.588 -6.193 1.00 0.00 C ATOM 29 CG ASN A 3 -10.692 12.501 -5.131 1.00 0.00 C ATOM 30 OD1 ASN A 3 -9.590 11.951 -4.650 1.00 0.00 O flip ATOM 31 ND2 ASN A 3 -11.788 12.167 -4.721 1.00 0.00 N flip ATOM 0 H ASN A 3 -9.064 16.394 -6.783 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.346 14.589 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.446 14.110 -6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.222 13.131 -7.142 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.629 12.601 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.866 11.453 -3.996 1.00 0.00 H new ATOM 38 N TYR A 4 -7.250 13.629 -5.545 1.00 0.00 N ATOM 39 CA TYR A 4 -5.934 13.117 -5.952 1.00 0.00 C ATOM 40 C TYR A 4 -6.117 11.939 -6.930 1.00 0.00 C ATOM 41 O TYR A 4 -7.033 11.134 -6.767 1.00 0.00 O ATOM 42 CB TYR A 4 -5.181 12.635 -4.717 1.00 0.00 C ATOM 43 CG TYR A 4 -5.285 13.611 -3.550 1.00 0.00 C ATOM 44 CD1 TYR A 4 -4.550 14.819 -3.592 1.00 0.00 C ATOM 45 CD2 TYR A 4 -6.093 13.257 -2.449 1.00 0.00 C ATOM 46 CE1 TYR A 4 -4.608 15.684 -2.471 1.00 0.00 C ATOM 47 CE2 TYR A 4 -6.150 14.123 -1.343 1.00 0.00 C ATOM 48 CZ TYR A 4 -5.397 15.324 -1.362 1.00 0.00 C ATOM 49 OH TYR A 4 -5.456 16.152 -0.295 1.00 0.00 O ATOM 0 H TYR A 4 -7.439 13.528 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.370 13.910 -6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.574 11.665 -4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.131 12.488 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.958 15.076 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.658 12.337 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.052 16.610 -2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.761 13.876 -0.488 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.042 15.764 0.388 1.00 0.00 H new ATOM 59 N ASP A 5 -5.232 11.894 -7.920 1.00 0.00 N ATOM 60 CA ASP A 5 -5.269 10.849 -8.958 1.00 0.00 C ATOM 61 C ASP A 5 -3.916 10.745 -9.656 1.00 0.00 C ATOM 62 O ASP A 5 -3.661 11.380 -10.669 1.00 0.00 O ATOM 63 CB ASP A 5 -6.391 11.138 -9.974 1.00 0.00 C ATOM 64 CG ASP A 5 -6.595 10.001 -10.987 1.00 0.00 C ATOM 65 OD1 ASP A 5 -6.157 8.864 -10.686 1.00 0.00 O ATOM 66 OD2 ASP A 5 -7.262 10.279 -12.001 1.00 0.00 O ATOM 0 H ASP A 5 -4.475 12.568 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.481 9.892 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.324 11.310 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.159 12.058 -10.511 1.00 0.00 H new ATOM 72 N CYS A 6 -3.053 10.002 -8.994 1.00 0.00 N ATOM 73 CA CYS A 6 -1.678 9.828 -9.482 1.00 0.00 C ATOM 74 C CYS A 6 -1.404 8.431 -10.024 1.00 0.00 C ATOM 75 O CYS A 6 -1.491 8.235 -11.239 1.00 0.00 O ATOM 76 CB CYS A 6 -0.710 10.274 -8.413 1.00 0.00 C ATOM 77 SG CYS A 6 -1.089 9.754 -6.705 1.00 0.00 S ATOM 0 H CYS A 6 -3.264 9.510 -8.126 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.532 10.468 -10.352 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.281 9.900 -8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.655 11.362 -8.434 1.00 0.00 H new ATOM 82 N CYS A 7 -1.175 7.475 -9.123 1.00 0.00 N ATOM 83 CA CYS A 7 -1.036 6.044 -9.474 1.00 0.00 C ATOM 84 C CYS A 7 -2.171 5.662 -10.427 1.00 0.00 C ATOM 85 O CYS A 7 -3.180 6.384 -10.435 1.00 0.00 O ATOM 86 CB CYS A 7 -1.068 5.202 -8.192 1.00 0.00 C ATOM 87 SG CYS A 7 -2.712 4.723 -7.535 1.00 0.00 S ATOM 0 H CYS A 7 -1.079 7.662 -8.125 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.085 5.857 -9.974 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.500 4.290 -8.374 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.542 5.755 -7.413 1.00 0.00 H new ATOM 92 N LEU A 8 -2.035 4.542 -11.125 1.00 0.00 N ATOM 93 CA LEU A 8 -3.051 4.033 -12.082 1.00 0.00 C ATOM 94 C LEU A 8 -4.496 4.330 -11.670 1.00 0.00 C ATOM 95 O LEU A 8 -5.279 4.825 -12.479 1.00 0.00 O ATOM 96 CB LEU A 8 -2.879 2.527 -12.302 1.00 0.00 C ATOM 97 CG LEU A 8 -1.794 2.244 -13.348 1.00 0.00 C ATOM 98 CD1 LEU A 8 -0.906 1.097 -12.880 1.00 0.00 C ATOM 99 CD2 LEU A 8 -2.421 1.952 -14.705 1.00 0.00 C ATOM 0 H LEU A 8 -1.212 3.943 -11.053 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.873 4.573 -13.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.615 2.046 -11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.825 2.093 -12.627 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.169 3.129 -13.462 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.138 0.903 -13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.432 1.365 -11.936 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.512 0.202 -12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.635 1.754 -15.434 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.071 1.080 -14.626 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.007 2.813 -15.028 1.00 0.00 H new ATOM 111 N SER A 9 -4.732 4.221 -10.362 1.00 0.00 N ATOM 112 CA SER A 9 -5.964 4.593 -9.658 1.00 0.00 C ATOM 113 C SER A 9 -5.855 4.133 -8.216 1.00 0.00 C ATOM 114 O SER A 9 -5.356 3.045 -7.947 1.00 0.00 O ATOM 115 CB SER A 9 -7.209 3.968 -10.299 1.00 0.00 C ATOM 116 OG SER A 9 -6.880 2.654 -10.765 1.00 0.00 O ATOM 0 H SER A 9 -4.027 3.848 -9.726 1.00 0.00 H new ATOM 0 HA SER A 9 -6.076 5.676 -9.717 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.022 3.919 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.557 4.586 -11.127 1.00 0.00 H new ATOM 0 HG SER A 9 -7.670 2.245 -11.175 1.00 0.00 H new ATOM 122 N TYR A 10 -6.153 5.065 -7.293 1.00 0.00 N ATOM 123 CA TYR A 10 -6.236 4.784 -5.848 1.00 0.00 C ATOM 124 C TYR A 10 -6.874 3.403 -5.626 1.00 0.00 C ATOM 125 O TYR A 10 -7.588 2.916 -6.502 1.00 0.00 O ATOM 126 CB TYR A 10 -7.103 5.850 -5.165 1.00 0.00 C ATOM 127 CG TYR A 10 -7.177 5.702 -3.630 1.00 0.00 C ATOM 128 CD1 TYR A 10 -6.111 6.206 -2.861 1.00 0.00 C ATOM 129 CD2 TYR A 10 -8.313 5.098 -3.039 1.00 0.00 C ATOM 130 CE1 TYR A 10 -6.172 6.090 -1.457 1.00 0.00 C ATOM 131 CE2 TYR A 10 -8.372 4.992 -1.634 1.00 0.00 C ATOM 132 CZ TYR A 10 -7.294 5.483 -0.865 1.00 0.00 C ATOM 133 OH TYR A 10 -7.296 5.305 0.483 1.00 0.00 O ATOM 0 H TYR A 10 -6.344 6.039 -7.529 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.232 4.798 -5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.708 6.837 -5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.112 5.802 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.262 6.673 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.120 4.725 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.366 6.463 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.228 4.542 -1.154 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.134 4.875 0.755 1.00 0.00 H new ATOM 143 N ILE A 11 -6.566 2.806 -4.495 1.00 0.00 N ATOM 144 CA ILE A 11 -7.160 1.512 -4.119 1.00 0.00 C ATOM 145 C ILE A 11 -8.693 1.611 -4.060 1.00 0.00 C ATOM 146 O ILE A 11 -9.307 1.791 -3.003 1.00 0.00 O ATOM 147 CB ILE A 11 -6.518 0.971 -2.829 1.00 0.00 C ATOM 148 CG1 ILE A 11 -6.987 -0.447 -2.514 1.00 0.00 C ATOM 149 CG2 ILE A 11 -6.810 1.848 -1.610 1.00 0.00 C ATOM 150 CD1 ILE A 11 -6.948 -1.380 -3.720 1.00 0.00 C ATOM 0 H ILE A 11 -5.910 3.184 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.940 0.776 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.445 0.976 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.362 -0.861 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.005 -0.407 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.332 1.418 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.419 2.851 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.887 1.901 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.294 -2.371 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.596 -0.988 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.926 -1.449 -4.094 1.00 0.00 H new ATOM 162 N GLN A 12 -9.284 1.402 -5.221 1.00 0.00 N ATOM 163 CA GLN A 12 -10.750 1.465 -5.385 1.00 0.00 C ATOM 164 C GLN A 12 -11.452 0.463 -4.455 1.00 0.00 C ATOM 165 O GLN A 12 -12.615 0.638 -4.124 1.00 0.00 O ATOM 166 CB GLN A 12 -11.160 1.239 -6.843 1.00 0.00 C ATOM 167 CG GLN A 12 -10.794 -0.142 -7.375 1.00 0.00 C ATOM 168 CD GLN A 12 -11.889 -0.662 -8.313 1.00 0.00 C ATOM 169 OE1 GLN A 12 -11.963 -0.315 -9.475 1.00 0.00 O ATOM 170 NE2 GLN A 12 -12.770 -1.476 -7.784 1.00 0.00 N ATOM 0 H GLN A 12 -8.779 1.184 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.070 2.468 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.237 1.380 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.685 1.997 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.844 -0.093 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.659 -0.835 -6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.686 -1.753 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.539 -1.833 -8.351 1.00 0.00 H new ATOM 179 N THR A 13 -10.665 -0.543 -4.057 1.00 0.00 N ATOM 180 CA THR A 13 -11.085 -1.621 -3.154 1.00 0.00 C ATOM 181 C THR A 13 -9.940 -2.151 -2.289 1.00 0.00 C ATOM 182 O THR A 13 -9.114 -2.924 -2.775 1.00 0.00 O ATOM 183 CB THR A 13 -11.842 -2.699 -3.953 1.00 0.00 C ATOM 184 OG1 THR A 13 -13.198 -2.272 -3.913 1.00 0.00 O ATOM 185 CG2 THR A 13 -11.733 -4.160 -3.483 1.00 0.00 C ATOM 0 H THR A 13 -9.695 -0.632 -4.361 1.00 0.00 H new ATOM 0 HA THR A 13 -11.785 -1.219 -2.421 1.00 0.00 H new ATOM 0 HB THR A 13 -11.388 -2.757 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.234 -1.293 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.319 -4.799 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.689 -4.473 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.114 -4.244 -2.465 1.00 0.00 H new ATOM 193 N PRO A 14 -9.956 -1.830 -0.988 1.00 0.00 N ATOM 194 CA PRO A 14 -8.944 -2.342 -0.050 1.00 0.00 C ATOM 195 C PRO A 14 -9.099 -3.838 0.183 1.00 0.00 C ATOM 196 O PRO A 14 -10.204 -4.358 0.221 1.00 0.00 O ATOM 197 CB PRO A 14 -9.179 -1.550 1.238 1.00 0.00 C ATOM 198 CG PRO A 14 -10.540 -0.898 1.146 1.00 0.00 C ATOM 199 CD PRO A 14 -10.957 -0.975 -0.321 1.00 0.00 C ATOM 0 HA PRO A 14 -7.932 -2.216 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.131 -2.209 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.403 -0.795 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.261 -1.412 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.498 0.137 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.957 -1.397 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.983 0.017 -0.771 1.00 0.00 H new ATOM 207 N LEU A 15 -7.960 -4.492 0.281 1.00 0.00 N ATOM 208 CA LEU A 15 -7.931 -5.952 0.472 1.00 0.00 C ATOM 209 C LEU A 15 -7.007 -6.378 1.629 1.00 0.00 C ATOM 210 O LEU A 15 -6.206 -5.576 2.075 1.00 0.00 O ATOM 211 CB LEU A 15 -7.612 -6.667 -0.859 1.00 0.00 C ATOM 212 CG LEU A 15 -6.721 -5.844 -1.778 1.00 0.00 C ATOM 213 CD1 LEU A 15 -5.502 -6.672 -2.106 1.00 0.00 C ATOM 214 CD2 LEU A 15 -7.466 -5.557 -3.071 1.00 0.00 C ATOM 0 H LEU A 15 -7.041 -4.052 0.234 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.928 -6.271 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.125 -7.618 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.545 -6.895 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.442 -4.907 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.844 -6.106 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.971 -6.918 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.810 -7.592 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.832 -4.967 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.725 -6.497 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.377 -5.000 -2.850 1.00 0.00 H new ATOM 226 N PRO A 16 -7.205 -7.560 2.241 1.00 0.00 N ATOM 227 CA PRO A 16 -6.369 -7.961 3.384 1.00 0.00 C ATOM 228 C PRO A 16 -4.936 -8.230 2.937 1.00 0.00 C ATOM 229 O PRO A 16 -4.712 -8.747 1.841 1.00 0.00 O ATOM 230 CB PRO A 16 -7.059 -9.199 3.961 1.00 0.00 C ATOM 231 CG PRO A 16 -7.875 -9.783 2.805 1.00 0.00 C ATOM 232 CD PRO A 16 -8.194 -8.602 1.891 1.00 0.00 C ATOM 0 HA PRO A 16 -6.282 -7.182 4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.329 -9.919 4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.701 -8.936 4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.310 -10.549 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.788 -10.255 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.113 -8.884 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.212 -8.247 2.048 1.00 0.00 H new ATOM 240 N SER A 17 -3.985 -7.990 3.844 1.00 0.00 N ATOM 241 CA SER A 17 -2.559 -8.278 3.595 1.00 0.00 C ATOM 242 C SER A 17 -2.283 -9.763 3.288 1.00 0.00 C ATOM 243 O SER A 17 -1.301 -10.091 2.627 1.00 0.00 O ATOM 244 CB SER A 17 -1.634 -7.837 4.738 1.00 0.00 C ATOM 245 OG SER A 17 -1.562 -8.846 5.747 1.00 0.00 O ATOM 0 H SER A 17 -4.173 -7.594 4.765 1.00 0.00 H new ATOM 0 HA SER A 17 -2.331 -7.683 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.637 -7.634 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.002 -6.907 5.172 1.00 0.00 H new ATOM 0 HG SER A 17 -0.967 -8.548 6.466 1.00 0.00 H new ATOM 251 N ARG A 18 -3.266 -10.599 3.613 1.00 0.00 N ATOM 252 CA ARG A 18 -3.285 -12.039 3.266 1.00 0.00 C ATOM 253 C ARG A 18 -3.283 -12.311 1.753 1.00 0.00 C ATOM 254 O ARG A 18 -3.056 -13.434 1.314 1.00 0.00 O ATOM 255 CB ARG A 18 -4.512 -12.685 3.915 1.00 0.00 C ATOM 256 CG ARG A 18 -4.177 -13.253 5.286 1.00 0.00 C ATOM 257 CD ARG A 18 -3.849 -14.745 5.198 1.00 0.00 C ATOM 258 NE ARG A 18 -3.532 -15.283 6.527 1.00 0.00 N ATOM 259 CZ ARG A 18 -4.381 -15.551 7.518 1.00 0.00 C ATOM 260 NH1 ARG A 18 -5.687 -15.358 7.386 1.00 0.00 N ATOM 261 NH2 ARG A 18 -3.925 -16.014 8.681 1.00 0.00 N ATOM 0 H ARG A 18 -4.091 -10.301 4.134 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.363 -12.476 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.308 -11.946 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.890 -13.480 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.328 -12.715 5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.019 -13.102 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.696 -15.285 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.004 -14.898 4.527 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.547 -15.474 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.063 -14.996 6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.315 -15.572 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.925 -16.164 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.576 -16.219 9.439 1.00 0.00 H new ATOM 275 N ALA A 19 -3.579 -11.268 0.988 1.00 0.00 N ATOM 276 CA ALA A 19 -3.565 -11.309 -0.483 1.00 0.00 C ATOM 277 C ALA A 19 -2.369 -10.545 -1.069 1.00 0.00 C ATOM 278 O ALA A 19 -2.021 -10.702 -2.238 1.00 0.00 O ATOM 279 CB ALA A 19 -4.896 -10.744 -0.999 1.00 0.00 C ATOM 0 H ALA A 19 -3.839 -10.358 1.367 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.452 -12.343 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.903 -10.767 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.720 -11.348 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.012 -9.716 -0.657 1.00 0.00 H new ATOM 285 N ILE A 20 -1.702 -9.771 -0.219 1.00 0.00 N ATOM 286 CA ILE A 20 -0.536 -8.950 -0.590 1.00 0.00 C ATOM 287 C ILE A 20 0.708 -9.838 -0.614 1.00 0.00 C ATOM 288 O ILE A 20 1.228 -10.264 0.417 1.00 0.00 O ATOM 289 CB ILE A 20 -0.453 -7.762 0.365 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.495 -6.697 -0.019 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.932 -7.107 0.373 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.977 -7.038 0.116 1.00 0.00 C ATOM 0 H ILE A 20 -1.954 -9.690 0.766 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.625 -8.531 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.651 -8.154 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.303 -5.813 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.314 -6.416 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.934 -6.268 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.678 -7.838 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.170 -6.748 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.577 -6.182 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.212 -7.894 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.201 -7.281 1.155 1.00 0.00 H new ATOM 304 N VAL A 21 1.174 -10.012 -1.843 1.00 0.00 N ATOM 305 CA VAL A 21 2.405 -10.777 -2.094 1.00 0.00 C ATOM 306 C VAL A 21 3.651 -9.906 -1.889 1.00 0.00 C ATOM 307 O VAL A 21 4.625 -10.330 -1.275 1.00 0.00 O ATOM 308 CB VAL A 21 2.292 -11.484 -3.460 1.00 0.00 C ATOM 309 CG1 VAL A 21 3.244 -11.022 -4.575 1.00 0.00 C ATOM 310 CG2 VAL A 21 2.478 -12.981 -3.236 1.00 0.00 C ATOM 0 H VAL A 21 0.728 -9.640 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 21 2.529 -11.573 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 21 1.304 -11.214 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.056 -11.603 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.076 -9.965 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.276 -11.170 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.402 -13.504 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.459 -13.164 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.705 -13.346 -2.559 1.00 0.00 H new ATOM 320 N GLY A 22 3.591 -8.710 -2.461 1.00 0.00 N ATOM 321 CA GLY A 22 4.728 -7.779 -2.427 1.00 0.00 C ATOM 322 C GLY A 22 4.215 -6.361 -2.614 1.00 0.00 C ATOM 323 O GLY A 22 3.203 -6.154 -3.256 1.00 0.00 O ATOM 0 H GLY A 22 2.772 -8.356 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.257 -7.866 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.441 -8.028 -3.213 1.00 0.00 H new ATOM 327 N PHE A 23 4.714 -5.475 -1.777 1.00 0.00 N ATOM 328 CA PHE A 23 4.309 -4.074 -1.804 1.00 0.00 C ATOM 329 C PHE A 23 5.464 -3.136 -1.503 1.00 0.00 C ATOM 330 O PHE A 23 6.481 -3.555 -0.950 1.00 0.00 O ATOM 331 CB PHE A 23 3.163 -3.840 -0.818 1.00 0.00 C ATOM 332 CG PHE A 23 3.543 -4.105 0.618 1.00 0.00 C ATOM 333 CD1 PHE A 23 3.744 -5.440 1.044 1.00 0.00 C ATOM 334 CD2 PHE A 23 3.665 -3.012 1.482 1.00 0.00 C ATOM 335 CE1 PHE A 23 4.112 -5.700 2.371 1.00 0.00 C ATOM 336 CE2 PHE A 23 3.988 -3.271 2.821 1.00 0.00 C ATOM 337 CZ PHE A 23 4.227 -4.605 3.242 1.00 0.00 C ATOM 0 H PHE A 23 5.407 -5.697 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 23 3.969 -3.851 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.819 -2.810 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.324 -4.482 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.614 -6.256 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.515 -2.002 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.301 -6.707 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.055 -2.459 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.507 -4.784 4.269 1.00 0.00 H new ATOM 347 N THR A 24 5.217 -1.859 -1.753 1.00 0.00 N ATOM 348 CA THR A 24 6.242 -0.819 -1.579 1.00 0.00 C ATOM 349 C THR A 24 5.603 0.431 -0.964 1.00 0.00 C ATOM 350 O THR A 24 4.379 0.564 -0.864 1.00 0.00 O ATOM 351 CB THR A 24 6.908 -0.542 -2.937 1.00 0.00 C ATOM 352 OG1 THR A 24 6.917 -1.744 -3.718 1.00 0.00 O ATOM 353 CG2 THR A 24 8.348 -0.079 -2.745 1.00 0.00 C ATOM 0 H THR A 24 4.316 -1.509 -2.078 1.00 0.00 H new ATOM 0 HA THR A 24 7.021 -1.149 -0.892 1.00 0.00 H new ATOM 0 HB THR A 24 6.342 0.239 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.340 -1.568 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.802 0.112 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.360 0.836 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.913 -0.854 -2.227 1.00 0.00 H new ATOM 361 N ARG A 25 6.470 1.308 -0.505 1.00 0.00 N ATOM 362 CA ARG A 25 6.057 2.576 0.119 1.00 0.00 C ATOM 363 C ARG A 25 6.033 3.699 -0.918 1.00 0.00 C ATOM 364 O ARG A 25 6.815 3.721 -1.872 1.00 0.00 O ATOM 365 CB ARG A 25 7.025 2.965 1.247 1.00 0.00 C ATOM 366 CG ARG A 25 6.966 1.939 2.370 1.00 0.00 C ATOM 367 CD ARG A 25 7.925 2.320 3.489 1.00 0.00 C ATOM 368 NE ARG A 25 7.155 2.804 4.656 1.00 0.00 N ATOM 369 CZ ARG A 25 7.644 3.584 5.625 1.00 0.00 C ATOM 370 NH1 ARG A 25 8.892 4.034 5.582 1.00 0.00 N ATOM 371 NH2 ARG A 25 6.883 3.936 6.645 1.00 0.00 N ATOM 0 H ARG A 25 7.481 1.176 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 25 5.057 2.435 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.041 3.030 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.768 3.952 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.950 1.875 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.222 0.952 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.531 1.459 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.611 3.094 3.146 1.00 0.00 H new ATOM 0 HE ARG A 25 6.178 2.521 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.497 3.786 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.246 4.628 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.917 3.612 6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.261 4.531 7.382 1.00 0.00 H new ATOM 385 N GLN A 26 5.079 4.592 -0.715 1.00 0.00 N ATOM 386 CA GLN A 26 4.925 5.765 -1.590 1.00 0.00 C ATOM 387 C GLN A 26 4.701 7.008 -0.742 1.00 0.00 C ATOM 388 O GLN A 26 3.911 7.032 0.207 1.00 0.00 O ATOM 389 CB GLN A 26 3.757 5.528 -2.535 1.00 0.00 C ATOM 390 CG GLN A 26 3.726 6.480 -3.715 1.00 0.00 C ATOM 391 CD GLN A 26 2.599 7.471 -3.484 1.00 0.00 C ATOM 392 OE1 GLN A 26 1.391 7.083 -3.824 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 2.825 8.580 -3.044 1.00 0.00 N flip ATOM 0 H GLN A 26 4.397 4.537 0.042 1.00 0.00 H new ATOM 0 HA GLN A 26 5.828 5.916 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.803 4.504 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.825 5.623 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.679 7.001 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.568 5.932 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.777 8.844 -2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.063 9.247 -2.927 1.00 0.00 H new ATOM 402 N MET A 27 5.438 8.018 -1.155 1.00 0.00 N ATOM 403 CA MET A 27 5.451 9.355 -0.532 1.00 0.00 C ATOM 404 C MET A 27 4.790 10.402 -1.440 1.00 0.00 C ATOM 405 O MET A 27 4.832 10.316 -2.670 1.00 0.00 O ATOM 406 CB MET A 27 6.891 9.760 -0.189 1.00 0.00 C ATOM 407 CG MET A 27 7.898 9.422 -1.298 1.00 0.00 C ATOM 408 SD MET A 27 9.518 10.237 -1.066 1.00 0.00 S ATOM 409 CE MET A 27 10.577 8.903 -1.596 1.00 0.00 C ATOM 0 H MET A 27 6.067 7.945 -1.954 1.00 0.00 H new ATOM 0 HA MET A 27 4.870 9.309 0.389 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.923 10.832 0.007 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.193 9.259 0.731 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.043 8.342 -1.333 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.483 9.719 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 27 11.619 9.215 -1.524 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.414 8.034 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 27 10.346 8.644 -2.629 1.00 0.00 H new ATOM 419 N ALA A 28 4.389 11.487 -0.794 1.00 0.00 N ATOM 420 CA ALA A 28 3.710 12.616 -1.449 1.00 0.00 C ATOM 421 C ALA A 28 4.745 13.650 -1.895 1.00 0.00 C ATOM 422 O ALA A 28 5.359 14.316 -1.065 1.00 0.00 O ATOM 423 CB ALA A 28 2.752 13.276 -0.444 1.00 0.00 C ATOM 0 H ALA A 28 4.523 11.618 0.209 1.00 0.00 H new ATOM 0 HA ALA A 28 3.157 12.253 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.244 14.114 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.014 12.546 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.318 13.636 0.415 1.00 0.00 H new ATOM 429 N ASP A 29 5.054 13.580 -3.188 1.00 0.00 N ATOM 430 CA ASP A 29 6.051 14.449 -3.857 1.00 0.00 C ATOM 431 C ASP A 29 6.331 13.984 -5.285 1.00 0.00 C ATOM 432 O ASP A 29 6.460 14.800 -6.190 1.00 0.00 O ATOM 433 CB ASP A 29 7.414 14.502 -3.159 1.00 0.00 C ATOM 434 CG ASP A 29 7.638 15.833 -2.428 1.00 0.00 C ATOM 435 OD1 ASP A 29 7.267 16.876 -3.001 1.00 0.00 O ATOM 436 OD2 ASP A 29 8.311 15.790 -1.380 1.00 0.00 O ATOM 0 H ASP A 29 4.617 12.910 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 29 5.590 15.436 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.488 13.681 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.204 14.356 -3.896 1.00 0.00 H new ATOM 442 N GLU A 30 6.552 12.672 -5.399 1.00 0.00 N ATOM 443 CA GLU A 30 6.883 12.042 -6.685 1.00 0.00 C ATOM 444 C GLU A 30 5.713 12.143 -7.673 1.00 0.00 C ATOM 445 O GLU A 30 4.895 13.063 -7.595 1.00 0.00 O ATOM 446 CB GLU A 30 7.338 10.599 -6.407 1.00 0.00 C ATOM 447 CG GLU A 30 8.432 10.182 -7.399 1.00 0.00 C ATOM 448 CD GLU A 30 9.844 10.630 -6.991 1.00 0.00 C ATOM 449 OE1 GLU A 30 9.995 11.724 -6.402 1.00 0.00 O ATOM 450 OE2 GLU A 30 10.748 9.810 -7.252 1.00 0.00 O ATOM 0 H GLU A 30 6.508 12.021 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 30 7.703 12.568 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.714 10.520 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.488 9.921 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.421 9.097 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.198 10.598 -8.379 1.00 0.00 H new ATOM 457 N ALA A 31 5.544 11.124 -8.515 1.00 0.00 N ATOM 458 CA ALA A 31 4.406 11.000 -9.432 1.00 0.00 C ATOM 459 C ALA A 31 3.056 11.055 -8.673 1.00 0.00 C ATOM 460 O ALA A 31 2.036 11.404 -9.248 1.00 0.00 O ATOM 461 CB ALA A 31 4.522 9.684 -10.204 1.00 0.00 C ATOM 0 H ALA A 31 6.203 10.348 -8.582 1.00 0.00 H new ATOM 0 HA ALA A 31 4.428 11.841 -10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.678 9.587 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.452 9.677 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.519 8.849 -9.503 1.00 0.00 H new ATOM 467 N CYS A 32 3.126 10.778 -7.376 1.00 0.00 N ATOM 468 CA CYS A 32 1.999 10.952 -6.465 1.00 0.00 C ATOM 469 C CYS A 32 2.143 12.181 -5.572 1.00 0.00 C ATOM 470 O CYS A 32 3.227 12.492 -5.081 1.00 0.00 O ATOM 471 CB CYS A 32 1.758 9.705 -5.628 1.00 0.00 C ATOM 472 SG CYS A 32 0.503 8.553 -6.291 1.00 0.00 S ATOM 0 H CYS A 32 3.969 10.425 -6.924 1.00 0.00 H new ATOM 0 HA CYS A 32 1.125 11.117 -7.096 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.701 9.169 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.454 10.012 -4.627 1.00 0.00 H new ATOM 477 N ASP A 33 0.995 12.791 -5.347 1.00 0.00 N ATOM 478 CA ASP A 33 0.892 13.954 -4.450 1.00 0.00 C ATOM 479 C ASP A 33 0.486 13.547 -3.027 1.00 0.00 C ATOM 480 O ASP A 33 0.388 14.373 -2.128 1.00 0.00 O ATOM 481 CB ASP A 33 -0.098 14.973 -5.024 1.00 0.00 C ATOM 482 CG ASP A 33 -0.135 16.323 -4.290 1.00 0.00 C ATOM 483 OD1 ASP A 33 -1.103 17.063 -4.564 1.00 0.00 O ATOM 484 OD2 ASP A 33 0.801 16.603 -3.517 1.00 0.00 O ATOM 0 H ASP A 33 0.111 12.508 -5.769 1.00 0.00 H new ATOM 0 HA ASP A 33 1.879 14.412 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.152 15.151 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.097 14.538 -5.005 1.00 0.00 H new ATOM 490 N ILE A 34 0.115 12.276 -2.876 1.00 0.00 N ATOM 491 CA ILE A 34 -0.334 11.737 -1.581 1.00 0.00 C ATOM 492 C ILE A 34 0.399 10.429 -1.335 1.00 0.00 C ATOM 493 O ILE A 34 0.631 9.675 -2.278 1.00 0.00 O ATOM 494 CB ILE A 34 -1.862 11.544 -1.531 1.00 0.00 C ATOM 495 CG1 ILE A 34 -2.349 10.461 -2.510 1.00 0.00 C ATOM 496 CG2 ILE A 34 -2.522 12.910 -1.737 1.00 0.00 C ATOM 497 CD1 ILE A 34 -3.856 10.210 -2.562 1.00 0.00 C ATOM 0 H ILE A 34 0.115 11.594 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.099 12.451 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.159 11.162 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.015 10.732 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.857 9.523 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.606 12.799 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.204 13.591 -0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.227 13.314 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.069 9.426 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.207 9.899 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.368 11.126 -2.857 1.00 0.00 H new ATOM 509 N ASN A 35 0.587 10.144 -0.071 1.00 0.00 N ATOM 510 CA ASN A 35 1.227 8.896 0.350 1.00 0.00 C ATOM 511 C ASN A 35 0.255 7.733 0.092 1.00 0.00 C ATOM 512 O ASN A 35 -0.960 7.881 0.231 1.00 0.00 O ATOM 513 CB ASN A 35 1.579 8.957 1.838 1.00 0.00 C ATOM 514 CG ASN A 35 2.717 9.919 2.160 1.00 0.00 C ATOM 515 OD1 ASN A 35 2.956 10.935 1.525 1.00 0.00 O ATOM 516 ND2 ASN A 35 3.406 9.659 3.242 1.00 0.00 N ATOM 0 H ASN A 35 0.309 10.754 0.697 1.00 0.00 H new ATOM 0 HA ASN A 35 2.146 8.747 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.694 9.255 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.852 7.958 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.136 10.302 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.213 8.813 3.778 1.00 0.00 H new ATOM 523 N ALA A 36 0.844 6.636 -0.351 1.00 0.00 N ATOM 524 CA ALA A 36 0.110 5.399 -0.626 1.00 0.00 C ATOM 525 C ALA A 36 1.010 4.167 -0.542 1.00 0.00 C ATOM 526 O ALA A 36 2.205 4.278 -0.326 1.00 0.00 O ATOM 527 CB ALA A 36 -0.610 5.478 -1.984 1.00 0.00 C ATOM 0 H ALA A 36 1.846 6.571 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.646 5.290 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.148 4.547 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.315 6.309 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.123 5.634 -2.776 1.00 0.00 H new ATOM 533 N ILE A 37 0.377 3.012 -0.486 1.00 0.00 N ATOM 534 CA ILE A 37 1.121 1.758 -0.285 1.00 0.00 C ATOM 535 C ILE A 37 0.874 0.906 -1.498 1.00 0.00 C ATOM 536 O ILE A 37 -0.251 0.459 -1.699 1.00 0.00 O ATOM 537 CB ILE A 37 0.681 1.041 0.995 1.00 0.00 C ATOM 538 CG1 ILE A 37 0.585 2.025 2.171 1.00 0.00 C ATOM 539 CG2 ILE A 37 1.581 -0.162 1.288 1.00 0.00 C ATOM 540 CD1 ILE A 37 1.816 2.890 2.466 1.00 0.00 C ATOM 0 H ILE A 37 -0.633 2.902 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 37 2.185 1.962 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.322 0.643 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.258 2.690 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.350 1.455 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.246 -0.653 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.529 -0.866 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.610 0.175 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.610 3.537 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.666 2.247 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.048 3.502 1.594 1.00 0.00 H new ATOM 552 N ILE A 38 1.879 0.937 -2.350 1.00 0.00 N ATOM 553 CA ILE A 38 1.876 0.199 -3.615 1.00 0.00 C ATOM 554 C ILE A 38 1.861 -1.310 -3.340 1.00 0.00 C ATOM 555 O ILE A 38 2.899 -1.845 -3.015 1.00 0.00 O ATOM 556 CB ILE A 38 3.076 0.707 -4.450 1.00 0.00 C ATOM 557 CG1 ILE A 38 2.602 1.837 -5.347 1.00 0.00 C ATOM 558 CG2 ILE A 38 3.753 -0.290 -5.368 1.00 0.00 C ATOM 559 CD1 ILE A 38 3.122 3.146 -4.811 1.00 0.00 C ATOM 0 H ILE A 38 2.730 1.476 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 38 0.977 0.377 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 38 3.812 0.985 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.956 1.681 -6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.513 1.853 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.575 0.198 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.140 -1.122 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.031 -0.664 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.785 3.961 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.746 3.300 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.212 3.125 -4.794 1.00 0.00 H new ATOM 571 N PHE A 39 0.717 -1.934 -3.479 1.00 0.00 N ATOM 572 CA PHE A 39 0.499 -3.380 -3.269 1.00 0.00 C ATOM 573 C PHE A 39 0.534 -4.144 -4.575 1.00 0.00 C ATOM 574 O PHE A 39 0.121 -3.633 -5.609 1.00 0.00 O ATOM 575 CB PHE A 39 -0.846 -3.602 -2.567 1.00 0.00 C ATOM 576 CG PHE A 39 -0.786 -3.131 -1.119 1.00 0.00 C ATOM 577 CD1 PHE A 39 -0.030 -3.900 -0.220 1.00 0.00 C ATOM 578 CD2 PHE A 39 -1.584 -2.060 -0.649 1.00 0.00 C ATOM 579 CE1 PHE A 39 -0.087 -3.649 1.157 1.00 0.00 C ATOM 580 CE2 PHE A 39 -1.619 -1.784 0.732 1.00 0.00 C ATOM 581 CZ PHE A 39 -0.898 -2.596 1.630 1.00 0.00 C ATOM 0 H PHE A 39 -0.135 -1.445 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 39 1.308 -3.757 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.631 -3.063 -3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.108 -4.660 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.601 -4.693 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.159 -1.462 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.482 -4.254 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.198 -0.951 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.967 -2.410 2.692 1.00 0.00 H new ATOM 591 N HIS A 40 1.034 -5.365 -4.523 1.00 0.00 N ATOM 592 CA HIS A 40 1.198 -6.221 -5.711 1.00 0.00 C ATOM 593 C HIS A 40 0.733 -7.625 -5.330 1.00 0.00 C ATOM 594 O HIS A 40 1.485 -8.509 -4.904 1.00 0.00 O ATOM 595 CB HIS A 40 2.647 -6.291 -6.197 1.00 0.00 C ATOM 596 CG HIS A 40 3.318 -4.927 -6.253 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.039 -3.988 -7.147 1.00 0.00 N ATOM 598 CD2 HIS A 40 4.336 -4.499 -5.523 1.00 0.00 C ATOM 599 CE1 HIS A 40 3.908 -3.007 -6.985 1.00 0.00 C ATOM 600 NE2 HIS A 40 4.681 -3.295 -5.953 1.00 0.00 N ATOM 0 H HIS A 40 1.343 -5.804 -3.656 1.00 0.00 H new ATOM 0 HA HIS A 40 0.611 -5.797 -6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.216 -6.944 -5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.671 -6.743 -7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.805 -5.040 -4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.976 -2.118 -7.594 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.410 -2.699 -5.560 1.00 0.00 H new ATOM 609 N THR A 41 -0.579 -7.688 -5.211 1.00 0.00 N ATOM 610 CA THR A 41 -1.282 -8.953 -4.937 1.00 0.00 C ATOM 611 C THR A 41 -1.022 -9.982 -6.021 1.00 0.00 C ATOM 612 O THR A 41 -0.652 -9.668 -7.156 1.00 0.00 O ATOM 613 CB THR A 41 -2.758 -8.636 -4.811 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.065 -7.520 -5.636 1.00 0.00 O ATOM 615 CG2 THR A 41 -3.038 -8.202 -3.393 1.00 0.00 C ATOM 0 H THR A 41 -1.194 -6.879 -5.298 1.00 0.00 H new ATOM 0 HA THR A 41 -0.913 -9.395 -4.011 1.00 0.00 H new ATOM 0 HB THR A 41 -3.340 -9.514 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.681 -7.657 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.098 -7.970 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.772 -9.006 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.447 -7.316 -3.160 1.00 0.00 H new ATOM 623 N LYS A 42 -1.237 -11.237 -5.646 1.00 0.00 N ATOM 624 CA LYS A 42 -1.037 -12.358 -6.594 1.00 0.00 C ATOM 625 C LYS A 42 -2.187 -12.456 -7.624 1.00 0.00 C ATOM 626 O LYS A 42 -2.142 -13.243 -8.560 1.00 0.00 O ATOM 627 CB LYS A 42 -0.847 -13.667 -5.818 1.00 0.00 C ATOM 628 CG LYS A 42 -0.139 -14.757 -6.633 1.00 0.00 C ATOM 629 CD LYS A 42 1.307 -14.393 -6.971 1.00 0.00 C ATOM 630 CE LYS A 42 1.997 -15.477 -7.808 1.00 0.00 C ATOM 631 NZ LYS A 42 2.912 -16.274 -6.967 1.00 0.00 N ATOM 0 H LYS A 42 -1.544 -11.515 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.132 -12.166 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.271 -13.466 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.821 -14.037 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.153 -15.691 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.691 -14.931 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.324 -13.449 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.866 -14.238 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.248 -16.128 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.553 -15.016 -8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.371 -17.004 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.637 -15.652 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.373 -16.729 -6.203 1.00 0.00 H new ATOM 645 N LYS A 43 -3.194 -11.599 -7.442 1.00 0.00 N ATOM 646 CA LYS A 43 -4.351 -11.530 -8.346 1.00 0.00 C ATOM 647 C LYS A 43 -4.883 -10.084 -8.467 1.00 0.00 C ATOM 648 O LYS A 43 -6.071 -9.817 -8.338 1.00 0.00 O ATOM 649 CB LYS A 43 -5.427 -12.487 -7.827 1.00 0.00 C ATOM 650 CG LYS A 43 -6.303 -12.993 -8.977 1.00 0.00 C ATOM 651 CD LYS A 43 -7.776 -12.718 -8.669 1.00 0.00 C ATOM 652 CE LYS A 43 -8.690 -13.759 -9.318 1.00 0.00 C ATOM 653 NZ LYS A 43 -8.800 -13.589 -10.776 1.00 0.00 N ATOM 0 H LYS A 43 -3.234 -10.935 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.053 -11.832 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.957 -13.331 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.046 -11.979 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.019 -12.500 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.146 -14.062 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.929 -12.720 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.044 -11.724 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.309 -14.757 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.683 -13.693 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.430 -14.320 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.189 -12.648 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.858 -13.679 -11.208 1.00 0.00 H new ATOM 667 N ARG A 44 -3.945 -9.157 -8.647 1.00 0.00 N ATOM 668 CA ARG A 44 -4.216 -7.729 -8.879 1.00 0.00 C ATOM 669 C ARG A 44 -2.905 -6.985 -9.113 1.00 0.00 C ATOM 670 O ARG A 44 -1.887 -7.254 -8.496 1.00 0.00 O ATOM 671 CB ARG A 44 -4.916 -7.003 -7.714 1.00 0.00 C ATOM 672 CG ARG A 44 -6.397 -6.713 -7.912 1.00 0.00 C ATOM 673 CD ARG A 44 -6.860 -5.855 -6.749 1.00 0.00 C ATOM 674 NE ARG A 44 -6.974 -4.450 -7.181 1.00 0.00 N ATOM 675 CZ ARG A 44 -7.740 -3.524 -6.613 1.00 0.00 C ATOM 676 NH1 ARG A 44 -8.472 -3.802 -5.547 1.00 0.00 N ATOM 677 NH2 ARG A 44 -7.788 -2.288 -7.102 1.00 0.00 N ATOM 0 H ARG A 44 -2.949 -9.377 -8.636 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.884 -7.716 -9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.800 -7.605 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.400 -6.059 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.562 -6.197 -8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.966 -7.642 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.822 -6.212 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.154 -5.935 -5.922 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.417 -4.164 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.455 -4.740 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.054 -3.078 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.233 -2.042 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.380 -1.586 -6.657 1.00 0.00 H new ATOM 691 N LYS A 45 -3.013 -6.049 -10.039 1.00 0.00 N ATOM 692 CA LYS A 45 -1.900 -5.145 -10.365 1.00 0.00 C ATOM 693 C LYS A 45 -1.553 -4.235 -9.173 1.00 0.00 C ATOM 694 O LYS A 45 -2.118 -4.363 -8.086 1.00 0.00 O ATOM 695 CB LYS A 45 -2.230 -4.359 -11.640 1.00 0.00 C ATOM 696 CG LYS A 45 -1.856 -5.207 -12.862 1.00 0.00 C ATOM 697 CD LYS A 45 -2.596 -4.737 -14.112 1.00 0.00 C ATOM 698 CE LYS A 45 -2.481 -5.786 -15.219 1.00 0.00 C ATOM 699 NZ LYS A 45 -1.616 -5.304 -16.296 1.00 0.00 N ATOM 0 H LYS A 45 -3.859 -5.887 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.003 -5.732 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.291 -4.111 -11.665 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.682 -3.417 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.781 -5.151 -13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.094 -6.253 -12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.645 -4.559 -13.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.181 -3.789 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.079 -6.713 -14.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.470 -6.015 -15.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.550 -6.029 -17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.015 -4.432 -16.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.667 -5.108 -15.918 1.00 0.00 H new ATOM 713 N SER A 46 -0.593 -3.349 -9.410 1.00 0.00 N ATOM 714 CA SER A 46 -0.170 -2.356 -8.409 1.00 0.00 C ATOM 715 C SER A 46 -1.361 -1.572 -7.853 1.00 0.00 C ATOM 716 O SER A 46 -2.234 -1.113 -8.575 1.00 0.00 O ATOM 717 CB SER A 46 0.876 -1.387 -8.965 1.00 0.00 C ATOM 718 OG SER A 46 0.924 -1.452 -10.392 1.00 0.00 O ATOM 0 H SER A 46 -0.084 -3.292 -10.292 1.00 0.00 H new ATOM 0 HA SER A 46 0.287 -2.919 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.639 -0.370 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.856 -1.628 -8.553 1.00 0.00 H new ATOM 0 HG SER A 46 1.598 -0.823 -10.726 1.00 0.00 H new ATOM 724 N VAL A 47 -1.401 -1.560 -6.529 1.00 0.00 N ATOM 725 CA VAL A 47 -2.495 -0.906 -5.789 1.00 0.00 C ATOM 726 C VAL A 47 -1.894 0.127 -4.852 1.00 0.00 C ATOM 727 O VAL A 47 -1.198 -0.223 -3.911 1.00 0.00 O ATOM 728 CB VAL A 47 -3.306 -2.019 -5.099 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.738 -1.743 -3.651 1.00 0.00 C ATOM 730 CG2 VAL A 47 -4.481 -2.373 -6.010 1.00 0.00 C ATOM 0 H VAL A 47 -0.693 -1.993 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.187 -0.356 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.640 -2.872 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.301 -2.595 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.855 -1.586 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.365 -0.852 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.076 -3.161 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.103 -1.491 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.104 -2.721 -6.972 1.00 0.00 H new ATOM 740 N CYS A 48 -2.247 1.377 -5.065 1.00 0.00 N ATOM 741 CA CYS A 48 -1.754 2.449 -4.199 1.00 0.00 C ATOM 742 C CYS A 48 -2.830 2.814 -3.160 1.00 0.00 C ATOM 743 O CYS A 48 -3.911 3.300 -3.493 1.00 0.00 O ATOM 744 CB CYS A 48 -1.280 3.641 -5.032 1.00 0.00 C ATOM 745 SG CYS A 48 -2.515 4.906 -5.511 1.00 0.00 S ATOM 0 H CYS A 48 -2.865 1.682 -5.817 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.881 2.107 -3.644 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.488 4.142 -4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.830 3.252 -5.945 1.00 0.00 H new ATOM 750 N ALA A 49 -2.544 2.452 -1.919 1.00 0.00 N ATOM 751 CA ALA A 49 -3.500 2.705 -0.841 1.00 0.00 C ATOM 752 C ALA A 49 -2.966 3.685 0.199 1.00 0.00 C ATOM 753 O ALA A 49 -1.948 3.394 0.820 1.00 0.00 O ATOM 754 CB ALA A 49 -3.781 1.367 -0.201 1.00 0.00 C ATOM 0 H ALA A 49 -1.680 1.992 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.401 3.164 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.492 1.496 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.200 0.689 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.853 0.948 0.189 1.00 0.00 H new ATOM 760 N ASP A 50 -3.673 4.791 0.395 1.00 0.00 N ATOM 761 CA ASP A 50 -3.229 5.801 1.371 1.00 0.00 C ATOM 762 C ASP A 50 -2.926 5.149 2.739 1.00 0.00 C ATOM 763 O ASP A 50 -3.720 4.310 3.176 1.00 0.00 O ATOM 764 CB ASP A 50 -4.253 6.942 1.488 1.00 0.00 C ATOM 765 CG ASP A 50 -3.845 8.093 2.422 1.00 0.00 C ATOM 766 OD1 ASP A 50 -4.268 9.236 2.137 1.00 0.00 O ATOM 767 OD2 ASP A 50 -3.280 7.838 3.500 1.00 0.00 O ATOM 0 H ASP A 50 -4.540 5.017 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.299 6.242 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.435 7.349 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.197 6.527 1.840 1.00 0.00 H new ATOM 773 N PRO A 51 -1.794 5.483 3.373 1.00 0.00 N ATOM 774 CA PRO A 51 -1.465 5.052 4.740 1.00 0.00 C ATOM 775 C PRO A 51 -2.336 5.701 5.818 1.00 0.00 C ATOM 776 O PRO A 51 -1.859 6.241 6.808 1.00 0.00 O ATOM 777 CB PRO A 51 0.039 5.293 4.899 1.00 0.00 C ATOM 778 CG PRO A 51 0.299 6.481 3.974 1.00 0.00 C ATOM 779 CD PRO A 51 -0.709 6.313 2.845 1.00 0.00 C ATOM 0 HA PRO A 51 -1.693 3.996 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.304 5.521 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.621 4.419 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.157 7.428 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.322 6.474 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.087 7.281 2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.246 5.840 1.979 1.00 0.00 H new ATOM 787 N LYS A 52 -3.643 5.567 5.617 1.00 0.00 N ATOM 788 CA LYS A 52 -4.669 6.075 6.560 1.00 0.00 C ATOM 789 C LYS A 52 -5.720 5.013 6.916 1.00 0.00 C ATOM 790 O LYS A 52 -6.845 5.293 7.330 1.00 0.00 O ATOM 791 CB LYS A 52 -5.289 7.362 6.016 1.00 0.00 C ATOM 792 CG LYS A 52 -5.948 7.238 4.635 1.00 0.00 C ATOM 793 CD LYS A 52 -7.364 6.684 4.553 1.00 0.00 C ATOM 794 CE LYS A 52 -8.282 7.656 5.259 1.00 0.00 C ATOM 795 NZ LYS A 52 -9.655 7.305 4.920 1.00 0.00 N ATOM 0 H LYS A 52 -4.035 5.104 4.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.175 6.313 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.036 7.715 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.513 8.126 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.953 8.228 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.309 6.607 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.666 6.560 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.417 5.700 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.131 7.608 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.063 8.679 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.308 7.961 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.786 7.371 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.852 6.333 5.233 1.00 0.00 H new ATOM 809 N GLN A 53 -5.324 3.768 6.697 1.00 0.00 N ATOM 810 CA GLN A 53 -6.181 2.618 6.988 1.00 0.00 C ATOM 811 C GLN A 53 -5.492 1.661 7.956 1.00 0.00 C ATOM 812 O GLN A 53 -4.286 1.765 8.216 1.00 0.00 O ATOM 813 CB GLN A 53 -6.541 1.934 5.669 1.00 0.00 C ATOM 814 CG GLN A 53 -7.613 2.723 4.925 1.00 0.00 C ATOM 815 CD GLN A 53 -7.243 2.887 3.450 1.00 0.00 C ATOM 816 OE1 GLN A 53 -8.115 2.443 2.570 1.00 0.00 O flip ATOM 817 NE2 GLN A 53 -6.184 3.361 3.076 1.00 0.00 N flip ATOM 0 H GLN A 53 -4.410 3.523 6.317 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.098 2.948 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.651 1.844 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.897 0.922 5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.572 2.211 5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.734 3.704 5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.509 3.705 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.973 3.414 2.080 1.00 0.00 H new ATOM 826 N ASN A 54 -6.266 0.681 8.397 1.00 0.00 N ATOM 827 CA ASN A 54 -5.782 -0.389 9.294 1.00 0.00 C ATOM 828 C ASN A 54 -5.098 -1.507 8.502 1.00 0.00 C ATOM 829 O ASN A 54 -3.965 -1.846 8.803 1.00 0.00 O ATOM 830 CB ASN A 54 -6.920 -0.958 10.151 1.00 0.00 C ATOM 831 CG ASN A 54 -8.098 -1.410 9.289 1.00 0.00 C ATOM 832 OD1 ASN A 54 -8.135 -2.485 8.706 1.00 0.00 O ATOM 833 ND2 ASN A 54 -8.993 -0.493 9.016 1.00 0.00 N ATOM 0 H ASN A 54 -7.252 0.594 8.150 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.046 0.057 9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.551 -1.801 10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.256 -0.202 10.860 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.716 -0.677 8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.967 0.405 9.499 1.00 0.00 H new ATOM 840 N TRP A 55 -5.713 -1.892 7.395 1.00 0.00 N ATOM 841 CA TRP A 55 -5.195 -2.964 6.527 1.00 0.00 C ATOM 842 C TRP A 55 -3.864 -2.546 5.876 1.00 0.00 C ATOM 843 O TRP A 55 -2.875 -3.268 5.939 1.00 0.00 O ATOM 844 CB TRP A 55 -6.245 -3.336 5.455 1.00 0.00 C ATOM 845 CG TRP A 55 -6.413 -2.272 4.370 1.00 0.00 C ATOM 846 CD1 TRP A 55 -7.189 -1.184 4.430 1.00 0.00 C ATOM 847 CD2 TRP A 55 -5.755 -2.239 3.149 1.00 0.00 C ATOM 848 NE1 TRP A 55 -7.049 -0.464 3.312 1.00 0.00 N ATOM 849 CE2 TRP A 55 -6.211 -1.087 2.483 1.00 0.00 C ATOM 850 CE3 TRP A 55 -4.928 -3.160 2.480 1.00 0.00 C ATOM 851 CZ2 TRP A 55 -5.886 -0.863 1.129 1.00 0.00 C ATOM 852 CZ3 TRP A 55 -4.648 -2.972 1.112 1.00 0.00 C ATOM 853 CH2 TRP A 55 -5.119 -1.817 0.445 1.00 0.00 C ATOM 0 H TRP A 55 -6.584 -1.478 7.064 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.002 -3.845 7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.957 -4.278 4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.206 -3.502 5.942 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.833 -0.926 5.258 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.512 0.425 3.123 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.512 -4.004 3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.223 0.031 0.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.073 -3.710 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.886 -1.669 -0.599 1.00 0.00 H new ATOM 864 N VAL A 56 -3.830 -1.281 5.490 1.00 0.00 N ATOM 865 CA VAL A 56 -2.637 -0.616 4.952 1.00 0.00 C ATOM 866 C VAL A 56 -1.555 -0.588 6.027 1.00 0.00 C ATOM 867 O VAL A 56 -0.499 -1.183 5.814 1.00 0.00 O ATOM 868 CB VAL A 56 -3.002 0.767 4.422 1.00 0.00 C ATOM 869 CG1 VAL A 56 -1.866 1.771 4.455 1.00 0.00 C ATOM 870 CG2 VAL A 56 -3.402 0.620 2.971 1.00 0.00 C ATOM 0 H VAL A 56 -4.644 -0.668 5.540 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.235 -1.169 4.103 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.795 1.142 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.213 2.726 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.528 1.904 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.040 1.406 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.669 1.596 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.568 0.208 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.258 -0.050 2.896 1.00 0.00 H new ATOM 880 N LYS A 57 -1.827 0.142 7.114 1.00 0.00 N ATOM 881 CA LYS A 57 -0.854 0.282 8.209 1.00 0.00 C ATOM 882 C LYS A 57 -0.349 -1.097 8.639 1.00 0.00 C ATOM 883 O LYS A 57 0.831 -1.214 8.885 1.00 0.00 O ATOM 884 CB LYS A 57 -1.394 1.063 9.422 1.00 0.00 C ATOM 885 CG LYS A 57 -2.208 0.230 10.420 1.00 0.00 C ATOM 886 CD LYS A 57 -2.536 0.997 11.696 1.00 0.00 C ATOM 887 CE LYS A 57 -1.704 0.488 12.874 1.00 0.00 C ATOM 888 NZ LYS A 57 -1.563 1.610 13.799 1.00 0.00 N ATOM 0 H LYS A 57 -2.704 0.642 7.261 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.028 0.875 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.553 1.513 9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.018 1.880 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.135 -0.093 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.650 -0.671 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.345 2.059 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.597 0.893 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.195 -0.355 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.728 0.138 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.001 1.313 14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.083 2.398 13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.504 1.919 14.116 1.00 0.00 H new ATOM 902 N ARG A 58 -1.219 -2.102 8.605 1.00 0.00 N ATOM 903 CA ARG A 58 -0.872 -3.499 8.932 1.00 0.00 C ATOM 904 C ARG A 58 0.160 -4.092 7.984 1.00 0.00 C ATOM 905 O ARG A 58 1.184 -4.623 8.402 1.00 0.00 O ATOM 906 CB ARG A 58 -2.115 -4.382 8.920 1.00 0.00 C ATOM 907 CG ARG A 58 -2.565 -4.715 10.338 1.00 0.00 C ATOM 908 CD ARG A 58 -2.846 -3.465 11.181 1.00 0.00 C ATOM 909 NE ARG A 58 -4.215 -3.515 11.708 1.00 0.00 N ATOM 910 CZ ARG A 58 -4.639 -4.308 12.685 1.00 0.00 C ATOM 911 NH1 ARG A 58 -3.817 -5.158 13.291 1.00 0.00 N ATOM 912 NH2 ARG A 58 -5.906 -4.277 13.065 1.00 0.00 N ATOM 0 H ARG A 58 -2.198 -1.978 8.348 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.436 -3.473 9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.920 -3.874 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.906 -5.303 8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.465 -5.328 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.796 -5.313 10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.133 -3.402 12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.713 -2.569 10.574 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.900 -2.887 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.838 -5.211 13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.165 -5.758 14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.560 -3.643 12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.228 -4.888 13.816 1.00 0.00 H new ATOM 926 N ALA A 59 -0.085 -3.882 6.699 1.00 0.00 N ATOM 927 CA ALA A 59 0.841 -4.330 5.659 1.00 0.00 C ATOM 928 C ALA A 59 2.154 -3.531 5.694 1.00 0.00 C ATOM 929 O ALA A 59 3.215 -4.122 5.889 1.00 0.00 O ATOM 930 CB ALA A 59 0.112 -4.169 4.336 1.00 0.00 C ATOM 0 H ALA A 59 -0.915 -3.405 6.348 1.00 0.00 H new ATOM 0 HA ALA A 59 1.130 -5.370 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.761 -4.491 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.792 -4.778 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.157 -3.122 4.194 1.00 0.00 H new ATOM 936 N VAL A 60 2.023 -2.207 5.845 1.00 0.00 N ATOM 937 CA VAL A 60 3.173 -1.293 6.008 1.00 0.00 C ATOM 938 C VAL A 60 3.899 -1.598 7.312 1.00 0.00 C ATOM 939 O VAL A 60 5.101 -1.431 7.383 1.00 0.00 O ATOM 940 CB VAL A 60 2.751 0.183 6.006 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.938 1.155 5.921 1.00 0.00 C ATOM 942 CG2 VAL A 60 1.883 0.454 4.792 1.00 0.00 C ATOM 0 H VAL A 60 1.119 -1.734 5.858 1.00 0.00 H new ATOM 0 HA VAL A 60 3.833 -1.457 5.156 1.00 0.00 H new ATOM 0 HB VAL A 60 2.227 0.349 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.569 2.181 5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.595 1.003 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.493 0.972 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.581 1.501 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.447 0.234 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.996 -0.179 4.830 1.00 0.00 H new ATOM 952 N ASN A 61 3.199 -2.118 8.311 1.00 0.00 N ATOM 953 CA ASN A 61 3.744 -2.456 9.629 1.00 0.00 C ATOM 954 C ASN A 61 4.782 -3.569 9.508 1.00 0.00 C ATOM 955 O ASN A 61 5.949 -3.377 9.828 1.00 0.00 O ATOM 956 CB ASN A 61 2.638 -2.909 10.578 1.00 0.00 C ATOM 957 CG ASN A 61 3.148 -3.135 12.001 1.00 0.00 C ATOM 958 OD1 ASN A 61 4.315 -3.070 12.332 1.00 0.00 O ATOM 959 ND2 ASN A 61 2.220 -3.430 12.875 1.00 0.00 N ATOM 0 H ASN A 61 2.204 -2.325 8.229 1.00 0.00 H new ATOM 0 HA ASN A 61 4.214 -1.559 10.031 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.847 -2.160 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.196 -3.832 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.473 -3.608 13.847 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.244 -3.481 12.584 1.00 0.00 H new ATOM 966 N LEU A 62 4.355 -4.707 8.980 1.00 0.00 N ATOM 967 CA LEU A 62 5.274 -5.821 8.691 1.00 0.00 C ATOM 968 C LEU A 62 6.458 -5.378 7.820 1.00 0.00 C ATOM 969 O LEU A 62 7.609 -5.682 8.133 1.00 0.00 O ATOM 970 CB LEU A 62 4.532 -6.982 8.036 1.00 0.00 C ATOM 971 CG LEU A 62 4.476 -8.170 9.010 1.00 0.00 C ATOM 972 CD1 LEU A 62 3.097 -8.264 9.676 1.00 0.00 C ATOM 973 CD2 LEU A 62 4.777 -9.454 8.245 1.00 0.00 C ATOM 0 H LEU A 62 3.381 -4.892 8.740 1.00 0.00 H new ATOM 0 HA LEU A 62 5.678 -6.159 9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.523 -6.674 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.036 -7.276 7.115 1.00 0.00 H new ATOM 0 HG LEU A 62 5.219 -8.024 9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.081 -9.112 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.897 -7.347 10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.332 -8.401 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.739 -10.302 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.036 -9.590 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.771 -9.389 7.802 1.00 0.00 H new ATOM 985 N LEU A 63 6.166 -4.473 6.887 1.00 0.00 N ATOM 986 CA LEU A 63 7.197 -3.805 6.070 1.00 0.00 C ATOM 987 C LEU A 63 8.100 -2.862 6.879 1.00 0.00 C ATOM 988 O LEU A 63 9.254 -2.689 6.539 1.00 0.00 O ATOM 989 CB LEU A 63 6.568 -3.081 4.881 1.00 0.00 C ATOM 990 CG LEU A 63 7.271 -1.855 4.289 1.00 0.00 C ATOM 991 CD1 LEU A 63 6.977 -1.693 2.803 1.00 0.00 C ATOM 992 CD2 LEU A 63 6.835 -0.605 5.045 1.00 0.00 C ATOM 0 H LEU A 63 5.214 -4.178 6.671 1.00 0.00 H new ATOM 0 HA LEU A 63 7.847 -4.595 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.451 -3.810 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.566 -2.771 5.179 1.00 0.00 H new ATOM 0 HG LEU A 63 8.346 -2.000 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.495 -0.812 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.322 -2.576 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.904 -1.575 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.335 0.268 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.756 -0.483 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.102 -0.704 6.097 1.00 0.00 H new ATOM 1004 N SER A 64 7.526 -2.204 7.866 1.00 0.00 N ATOM 1005 CA SER A 64 8.207 -1.225 8.721 1.00 0.00 C ATOM 1006 C SER A 64 9.359 -1.920 9.444 1.00 0.00 C ATOM 1007 O SER A 64 10.459 -1.419 9.404 1.00 0.00 O ATOM 1008 CB SER A 64 7.237 -0.627 9.740 1.00 0.00 C ATOM 1009 OG SER A 64 7.828 0.480 10.418 1.00 0.00 O ATOM 0 H SER A 64 6.544 -2.332 8.111 1.00 0.00 H new ATOM 0 HA SER A 64 8.589 -0.413 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.326 -0.305 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.948 -1.389 10.464 1.00 0.00 H new ATOM 0 HG SER A 64 7.189 0.847 11.064 1.00 0.00 H new ATOM 1015 N LEU A 65 9.157 -3.180 9.834 1.00 0.00 N ATOM 1016 CA LEU A 65 10.271 -3.980 10.381 1.00 0.00 C ATOM 1017 C LEU A 65 11.108 -4.656 9.271 1.00 0.00 C ATOM 1018 O LEU A 65 12.240 -5.071 9.495 1.00 0.00 O ATOM 1019 CB LEU A 65 9.724 -4.947 11.452 1.00 0.00 C ATOM 1020 CG LEU A 65 9.321 -6.347 10.963 1.00 0.00 C ATOM 1021 CD1 LEU A 65 10.523 -7.298 11.043 1.00 0.00 C ATOM 1022 CD2 LEU A 65 8.213 -6.906 11.838 1.00 0.00 C ATOM 0 H LEU A 65 8.261 -3.664 9.787 1.00 0.00 H new ATOM 0 HA LEU A 65 10.985 -3.323 10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.480 -5.060 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.855 -4.484 11.919 1.00 0.00 H new ATOM 0 HG LEU A 65 8.977 -6.263 9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.228 -8.288 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.330 -6.918 10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.866 -7.364 12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.935 -7.898 11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.562 -6.974 12.868 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.346 -6.248 11.792 1.00 0.00 H new ATOM 1034 N ARG A 66 10.510 -4.820 8.092 1.00 0.00 N ATOM 1035 CA ARG A 66 11.135 -5.473 6.932 1.00 0.00 C ATOM 1036 C ARG A 66 12.123 -4.522 6.219 1.00 0.00 C ATOM 1037 O ARG A 66 13.324 -4.755 6.222 1.00 0.00 O ATOM 1038 CB ARG A 66 10.055 -5.950 5.957 1.00 0.00 C ATOM 1039 CG ARG A 66 10.581 -6.980 4.963 1.00 0.00 C ATOM 1040 CD ARG A 66 9.990 -8.347 5.312 1.00 0.00 C ATOM 1041 NE ARG A 66 9.128 -8.789 4.213 1.00 0.00 N ATOM 1042 CZ ARG A 66 8.541 -9.981 4.113 1.00 0.00 C ATOM 1043 NH1 ARG A 66 8.677 -10.888 5.080 1.00 0.00 N ATOM 1044 NH2 ARG A 66 7.820 -10.290 3.052 1.00 0.00 N ATOM 0 H ARG A 66 9.560 -4.498 7.908 1.00 0.00 H new ATOM 0 HA ARG A 66 11.701 -6.334 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.227 -6.382 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.658 -5.094 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.306 -6.698 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.670 -7.019 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.788 -9.071 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.418 -8.284 6.238 1.00 0.00 H new ATOM 0 HE ARG A 66 8.962 -8.125 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.235 -10.673 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.223 -11.798 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.707 -9.613 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.375 -11.206 2.987 1.00 0.00 H new ATOM 1058 N VAL A 67 11.590 -3.409 5.706 1.00 0.00 N ATOM 1059 CA VAL A 67 12.365 -2.340 5.030 1.00 0.00 C ATOM 1060 C VAL A 67 12.874 -1.336 6.097 1.00 0.00 C ATOM 1061 O VAL A 67 12.855 -0.121 5.924 1.00 0.00 O ATOM 1062 CB VAL A 67 11.489 -1.682 3.939 1.00 0.00 C ATOM 1063 CG1 VAL A 67 12.210 -0.575 3.147 1.00 0.00 C ATOM 1064 CG2 VAL A 67 11.029 -2.713 2.903 1.00 0.00 C ATOM 0 H VAL A 67 10.590 -3.213 5.745 1.00 0.00 H new ATOM 0 HA VAL A 67 13.242 -2.746 4.525 1.00 0.00 H new ATOM 0 HB VAL A 67 10.654 -1.250 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.532 -0.161 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.524 0.215 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.085 -0.994 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.415 -2.221 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.900 -3.163 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.445 -3.489 3.397 1.00 0.00 H new ATOM 1074 N LYS A 68 13.359 -1.885 7.207 1.00 0.00 N ATOM 1075 CA LYS A 68 13.973 -1.079 8.283 1.00 0.00 C ATOM 1076 C LYS A 68 14.626 -1.991 9.310 1.00 0.00 C ATOM 1077 O LYS A 68 14.063 -2.384 10.333 1.00 0.00 O ATOM 1078 CB LYS A 68 12.942 -0.175 8.951 1.00 0.00 C ATOM 1079 CG LYS A 68 13.516 1.199 9.243 1.00 0.00 C ATOM 1080 CD LYS A 68 13.257 1.571 10.701 1.00 0.00 C ATOM 1081 CE LYS A 68 14.099 2.805 11.009 1.00 0.00 C ATOM 1082 NZ LYS A 68 13.507 3.514 12.147 1.00 0.00 N ATOM 0 H LYS A 68 13.343 -2.887 7.395 1.00 0.00 H new ATOM 0 HA LYS A 68 14.737 -0.441 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.069 -0.077 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.601 -0.633 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.587 1.206 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.063 1.940 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.199 1.777 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.526 0.747 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.124 2.514 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.141 3.459 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.075 4.358 12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.536 3.802 11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.489 2.886 12.976 1.00 0.00 H new ATOM 1096 N LYS A 69 15.828 -2.410 8.920 1.00 0.00 N ATOM 1097 CA LYS A 69 16.653 -3.249 9.792 1.00 0.00 C ATOM 1098 C LYS A 69 17.220 -2.406 10.944 1.00 0.00 C ATOM 1099 O LYS A 69 16.875 -1.231 11.112 1.00 0.00 O ATOM 1100 CB LYS A 69 17.750 -3.923 8.949 1.00 0.00 C ATOM 1101 CG LYS A 69 17.866 -5.400 9.368 1.00 0.00 C ATOM 1102 CD LYS A 69 17.555 -6.334 8.206 1.00 0.00 C ATOM 1103 CE LYS A 69 18.845 -6.786 7.509 1.00 0.00 C ATOM 1104 NZ LYS A 69 18.515 -7.408 6.212 1.00 0.00 N ATOM 0 H LYS A 69 16.250 -2.187 8.018 1.00 0.00 H new ATOM 0 HA LYS A 69 16.054 -4.039 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.508 -3.850 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.703 -3.414 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.873 -5.597 9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.181 -5.601 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.009 -7.204 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.908 -5.828 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.506 -5.933 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.381 -7.496 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.390 -7.714 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.900 -8.232 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.022 -6.717 5.611 1.00 0.00 H new ATOM 1118 N MET A 70 18.119 -2.994 11.723 1.00 0.00 N ATOM 1119 CA MET A 70 18.786 -2.300 12.837 1.00 0.00 C ATOM 1120 C MET A 70 19.460 -0.971 12.422 1.00 0.00 C ATOM 1121 O MET A 70 20.116 -0.984 11.347 1.00 0.00 O ATOM 1122 CB MET A 70 19.816 -3.241 13.457 1.00 0.00 C ATOM 1123 CG MET A 70 19.422 -3.581 14.895 1.00 0.00 C ATOM 1124 SD MET A 70 20.252 -5.085 15.526 1.00 0.00 S ATOM 1125 CE MET A 70 21.733 -4.387 16.240 1.00 0.00 C ATOM 1126 OXT MET A 70 19.306 0.002 13.178 1.00 0.00 O ATOM 0 H MET A 70 18.412 -3.964 11.607 1.00 0.00 H new ATOM 0 HA MET A 70 18.017 -2.032 13.561 1.00 0.00 H new ATOM 0 HB2 MET A 70 19.887 -4.154 12.866 1.00 0.00 H new ATOM 0 HB3 MET A 70 20.801 -2.774 13.443 1.00 0.00 H new ATOM 0 HG2 MET A 70 19.667 -2.739 15.542 1.00 0.00 H new ATOM 0 HG3 MET A 70 18.342 -3.719 14.947 1.00 0.00 H new ATOM 0 HE1 MET A 70 22.342 -5.184 16.666 1.00 0.00 H new ATOM 0 HE2 MET A 70 22.301 -3.870 15.467 1.00 0.00 H new ATOM 0 HE3 MET A 70 21.461 -3.680 17.024 1.00 0.00 H new TER 1136 MET A 70