USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -3.97! C(o=-4!,f=-8.2!) USER MOD Set 2.1: A 5 ASN : amide:sc= -2.89! C(o=-2.2!,f=-3.5!) USER MOD Set 2.2: A 13 THR OG1 : rot 143:sc= 0.674 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -3.36! C(o=-6.5!,f=-9!) USER MOD Set 3.2: A 6 GLN : amide:sc= -3.11! C(o=-6.5!,f=-6.6!) USER MOD Single : A 1 LEU N :NH3+ 139:sc= 0.0106 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.7 K(o=-1.7,f=-3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0035 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 150:sc= -0.192 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -3.59! (180deg=-4.84!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.821 K(o=-0.82,f=-0.23) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.141 (180deg=-0.785) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0984 X(o=-0.098,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.32! USER MOD Single : A 60 ASN : amide:sc= -3.06! C(o=-3.1!,f=-20!) USER MOD Single : A 61 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.118 -15.276 2.056 1.00 0.00 N ATOM 2 CA LEU A 1 -5.773 -14.254 1.082 1.00 0.00 C ATOM 3 C LEU A 1 -4.598 -13.428 1.609 1.00 0.00 C ATOM 4 O LEU A 1 -4.608 -12.993 2.760 1.00 0.00 O ATOM 5 CB LEU A 1 -7.003 -13.416 0.726 1.00 0.00 C ATOM 6 CG LEU A 1 -6.738 -12.149 -0.091 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.485 -12.488 -1.561 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.877 -11.141 0.077 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.153 -15.354 2.125 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.721 -16.189 1.756 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.728 -15.017 2.984 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.447 -14.713 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.698 -14.045 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.503 -13.130 1.651 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.832 -11.679 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.300 -11.570 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.617 -13.142 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.358 -12.993 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.664 -10.250 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.811 -11.588 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.968 -10.867 1.128 1.00 0.00 H new ATOM 22 N GLU A 2 -3.614 -13.237 0.743 1.00 0.00 N ATOM 23 CA GLU A 2 -2.434 -12.472 1.107 1.00 0.00 C ATOM 24 C GLU A 2 -2.459 -11.102 0.425 1.00 0.00 C ATOM 25 O GLU A 2 -2.936 -10.974 -0.701 1.00 0.00 O ATOM 26 CB GLU A 2 -1.156 -13.236 0.758 1.00 0.00 C ATOM 27 CG GLU A 2 -1.271 -14.709 1.155 1.00 0.00 C ATOM 28 CD GLU A 2 0.102 -15.296 1.486 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.883 -15.490 0.529 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.341 -15.538 2.689 1.00 0.00 O ATOM 0 H GLU A 2 -3.610 -13.599 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.442 -12.319 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.962 -13.158 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.306 -12.783 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.930 -14.806 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.726 -15.274 0.341 1.00 0.00 H new ATOM 37 N CYS A 3 -1.938 -10.113 1.137 1.00 0.00 N ATOM 38 CA CYS A 3 -1.894 -8.758 0.614 1.00 0.00 C ATOM 39 C CYS A 3 -0.531 -8.155 0.958 1.00 0.00 C ATOM 40 O CYS A 3 -0.037 -8.322 2.072 1.00 0.00 O ATOM 41 CB CYS A 3 -3.047 -7.907 1.151 1.00 0.00 C ATOM 42 SG CYS A 3 -4.684 -8.724 1.120 1.00 0.00 S ATOM 0 H CYS A 3 -1.543 -10.223 2.071 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.018 -8.779 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.820 -7.619 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.104 -6.988 0.567 1.00 0.00 H new ATOM 47 N HIS A 4 0.038 -7.465 -0.020 1.00 0.00 N ATOM 48 CA HIS A 4 1.335 -6.836 0.166 1.00 0.00 C ATOM 49 C HIS A 4 1.238 -5.773 1.261 1.00 0.00 C ATOM 50 O HIS A 4 0.275 -5.008 1.306 1.00 0.00 O ATOM 51 CB HIS A 4 1.862 -6.277 -1.158 1.00 0.00 C ATOM 52 CG HIS A 4 2.586 -7.292 -2.009 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.936 -7.564 -1.866 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.135 -8.099 -3.012 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.271 -8.493 -2.749 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.154 -8.823 -3.458 1.00 0.00 N ATOM 0 H HIS A 4 -0.375 -7.328 -0.943 1.00 0.00 H new ATOM 0 HA HIS A 4 2.060 -7.580 0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.026 -5.871 -1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.537 -5.447 -0.947 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.566 -7.124 -1.195 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.121 -8.142 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.256 -8.915 -2.884 1.00 0.00 H new ATOM 65 N ASN A 5 2.248 -5.758 2.119 1.00 0.00 N ATOM 66 CA ASN A 5 2.289 -4.801 3.211 1.00 0.00 C ATOM 67 C ASN A 5 3.543 -3.936 3.079 1.00 0.00 C ATOM 68 O ASN A 5 3.893 -3.199 4.000 1.00 0.00 O ATOM 69 CB ASN A 5 2.345 -5.513 4.565 1.00 0.00 C ATOM 70 CG ASN A 5 3.766 -5.990 4.874 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.704 -5.214 4.959 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.871 -7.305 5.038 1.00 0.00 N ATOM 0 H ASN A 5 3.044 -6.394 2.080 1.00 0.00 H new ATOM 0 HA ASN A 5 1.386 -4.193 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.005 -4.837 5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.664 -6.364 4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.778 -7.722 5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.045 -7.897 4.953 1.00 0.00 H new ATOM 79 N GLN A 6 4.186 -4.053 1.927 1.00 0.00 N ATOM 80 CA GLN A 6 5.394 -3.291 1.662 1.00 0.00 C ATOM 81 C GLN A 6 5.055 -1.813 1.460 1.00 0.00 C ATOM 82 O GLN A 6 4.031 -1.483 0.864 1.00 0.00 O ATOM 83 CB GLN A 6 6.143 -3.852 0.452 1.00 0.00 C ATOM 84 CG GLN A 6 5.171 -4.229 -0.668 1.00 0.00 C ATOM 85 CD GLN A 6 5.809 -4.016 -2.042 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.308 -2.951 -2.366 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.766 -5.087 -2.830 1.00 0.00 N ATOM 0 H GLN A 6 3.893 -4.665 1.165 1.00 0.00 H new ATOM 0 HA GLN A 6 6.052 -3.378 2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.856 -3.113 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.718 -4.729 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.872 -5.272 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.266 -3.628 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.333 -5.948 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.166 -5.047 -3.767 1.00 0.00 H new ATOM 96 N GLN A 7 5.935 -0.962 1.968 1.00 0.00 N ATOM 97 CA GLN A 7 5.742 0.474 1.851 1.00 0.00 C ATOM 98 C GLN A 7 6.714 1.058 0.824 1.00 0.00 C ATOM 99 O GLN A 7 7.738 0.449 0.517 1.00 0.00 O ATOM 100 CB GLN A 7 5.899 1.161 3.208 1.00 0.00 C ATOM 101 CG GLN A 7 7.049 0.543 4.006 1.00 0.00 C ATOM 102 CD GLN A 7 7.676 1.570 4.951 1.00 0.00 C ATOM 103 OE1 GLN A 7 7.491 2.769 4.817 1.00 0.00 O ATOM 104 NE2 GLN A 7 8.426 1.036 5.910 1.00 0.00 N ATOM 0 H GLN A 7 6.783 -1.239 2.462 1.00 0.00 H new ATOM 0 HA GLN A 7 4.725 0.657 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.084 2.225 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.971 1.074 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.682 -0.308 4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.808 0.163 3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.539 0.024 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.888 1.639 6.591 1.00 0.00 H new ATOM 113 N SER A 8 6.360 2.232 0.322 1.00 0.00 N ATOM 114 CA SER A 8 7.189 2.905 -0.663 1.00 0.00 C ATOM 115 C SER A 8 7.850 1.876 -1.582 1.00 0.00 C ATOM 116 O SER A 8 7.198 0.939 -2.042 1.00 0.00 O ATOM 117 CB SER A 8 8.252 3.774 0.012 1.00 0.00 C ATOM 118 OG SER A 8 7.719 4.514 1.107 1.00 0.00 O ATOM 0 H SER A 8 5.510 2.734 0.579 1.00 0.00 H new ATOM 0 HA SER A 8 6.550 3.557 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.067 3.142 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.675 4.463 -0.719 1.00 0.00 H new ATOM 0 HG SER A 8 8.429 5.055 1.513 1.00 0.00 H new ATOM 124 N SER A 9 9.136 2.084 -1.822 1.00 0.00 N ATOM 125 CA SER A 9 9.893 1.186 -2.678 1.00 0.00 C ATOM 126 C SER A 9 10.519 0.069 -1.840 1.00 0.00 C ATOM 127 O SER A 9 11.191 -0.811 -2.376 1.00 0.00 O ATOM 128 CB SER A 9 10.976 1.942 -3.449 1.00 0.00 C ATOM 129 OG SER A 9 11.962 2.495 -2.581 1.00 0.00 O ATOM 0 H SER A 9 9.673 2.862 -1.439 1.00 0.00 H new ATOM 0 HA SER A 9 9.208 0.747 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.455 1.266 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.516 2.741 -4.031 1.00 0.00 H new ATOM 0 HG SER A 9 12.637 2.968 -3.112 1.00 0.00 H new ATOM 135 N GLN A 10 10.275 0.140 -0.540 1.00 0.00 N ATOM 136 CA GLN A 10 10.807 -0.854 0.377 1.00 0.00 C ATOM 137 C GLN A 10 10.624 -2.259 -0.200 1.00 0.00 C ATOM 138 O GLN A 10 9.919 -2.440 -1.191 1.00 0.00 O ATOM 139 CB GLN A 10 10.150 -0.737 1.754 1.00 0.00 C ATOM 140 CG GLN A 10 10.114 0.719 2.222 1.00 0.00 C ATOM 141 CD GLN A 10 11.456 1.410 1.968 1.00 0.00 C ATOM 142 OE1 GLN A 10 12.512 0.800 1.991 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.355 2.714 1.726 1.00 0.00 N ATOM 0 H GLN A 10 9.716 0.871 -0.100 1.00 0.00 H new ATOM 0 HA GLN A 10 11.874 -0.670 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.136 -1.134 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.700 -1.341 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.321 1.253 1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.877 0.757 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.439 3.162 1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.194 3.266 1.545 1.00 0.00 H new ATOM 152 N PRO A 11 11.272 -3.218 0.445 1.00 0.00 N ATOM 153 CA PRO A 11 11.241 -4.633 0.070 1.00 0.00 C ATOM 154 C PRO A 11 9.800 -5.146 0.097 1.00 0.00 C ATOM 155 O PRO A 11 9.088 -4.954 1.081 1.00 0.00 O ATOM 156 CB PRO A 11 12.058 -5.317 1.169 1.00 0.00 C ATOM 157 CG PRO A 11 12.960 -4.229 1.674 1.00 0.00 C ATOM 158 CD PRO A 11 12.110 -2.991 1.625 1.00 0.00 C ATOM 0 HA PRO A 11 11.631 -4.819 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.417 -5.705 1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.628 -6.160 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.304 -4.436 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.848 -4.127 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.512 -2.875 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.714 -2.089 1.524 1.00 0.00 H new ATOM 166 N PRO A 12 9.414 -5.789 -0.996 1.00 0.00 N ATOM 167 CA PRO A 12 8.081 -6.364 -1.188 1.00 0.00 C ATOM 168 C PRO A 12 7.795 -7.393 -0.092 1.00 0.00 C ATOM 169 O PRO A 12 8.577 -8.321 0.110 1.00 0.00 O ATOM 170 CB PRO A 12 8.180 -7.063 -2.545 1.00 0.00 C ATOM 171 CG PRO A 12 9.281 -6.324 -3.249 1.00 0.00 C ATOM 172 CD PRO A 12 10.271 -6.013 -2.162 1.00 0.00 C ATOM 0 HA PRO A 12 7.285 -5.620 -1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.416 -8.121 -2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.241 -7.002 -3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.730 -6.932 -4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.911 -5.415 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.966 -6.837 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.869 -5.133 -2.399 1.00 0.00 H new ATOM 180 N THR A 13 6.674 -7.195 0.585 1.00 0.00 N ATOM 181 CA THR A 13 6.277 -8.095 1.655 1.00 0.00 C ATOM 182 C THR A 13 4.806 -8.489 1.502 1.00 0.00 C ATOM 183 O THR A 13 4.109 -7.971 0.631 1.00 0.00 O ATOM 184 CB THR A 13 6.586 -7.410 2.988 1.00 0.00 C ATOM 185 OG1 THR A 13 6.260 -6.042 2.760 1.00 0.00 O ATOM 186 CG2 THR A 13 8.084 -7.389 3.301 1.00 0.00 C ATOM 0 H THR A 13 6.028 -6.425 0.414 1.00 0.00 H new ATOM 0 HA THR A 13 6.838 -9.029 1.615 1.00 0.00 H new ATOM 0 HB THR A 13 6.054 -7.921 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.854 -5.663 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.249 -6.892 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.459 -8.411 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.612 -6.849 2.515 1.00 0.00 H new ATOM 194 N THR A 14 4.379 -9.403 2.361 1.00 0.00 N ATOM 195 CA THR A 14 3.005 -9.873 2.332 1.00 0.00 C ATOM 196 C THR A 14 2.512 -10.168 3.750 1.00 0.00 C ATOM 197 O THR A 14 3.314 -10.408 4.652 1.00 0.00 O ATOM 198 CB THR A 14 2.939 -11.085 1.401 1.00 0.00 C ATOM 199 OG1 THR A 14 4.148 -11.792 1.665 1.00 0.00 O ATOM 200 CG2 THR A 14 3.050 -10.697 -0.075 1.00 0.00 C ATOM 0 H THR A 14 4.961 -9.831 3.081 1.00 0.00 H new ATOM 0 HA THR A 14 2.334 -9.108 1.941 1.00 0.00 H new ATOM 0 HB THR A 14 2.003 -11.619 1.567 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.187 -12.595 1.104 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.998 -11.594 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.231 -10.027 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.001 -10.193 -0.248 1.00 0.00 H new ATOM 208 N LYS A 15 1.197 -10.141 3.903 1.00 0.00 N ATOM 209 CA LYS A 15 0.588 -10.403 5.196 1.00 0.00 C ATOM 210 C LYS A 15 -0.781 -11.054 4.987 1.00 0.00 C ATOM 211 O LYS A 15 -1.456 -10.784 3.995 1.00 0.00 O ATOM 212 CB LYS A 15 0.540 -9.124 6.034 1.00 0.00 C ATOM 213 CG LYS A 15 0.191 -9.437 7.491 1.00 0.00 C ATOM 214 CD LYS A 15 1.452 -9.742 8.303 1.00 0.00 C ATOM 215 CE LYS A 15 1.802 -11.229 8.233 1.00 0.00 C ATOM 216 NZ LYS A 15 2.516 -11.652 9.459 1.00 0.00 N ATOM 0 H LYS A 15 0.535 -9.942 3.153 1.00 0.00 H new ATOM 0 HA LYS A 15 1.193 -11.108 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.504 -8.618 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.199 -8.440 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.335 -8.590 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.487 -10.289 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.285 -9.150 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.300 -9.449 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.892 -11.817 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.423 -11.422 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.746 -12.664 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.394 -11.103 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.910 -11.487 10.288 1.00 0.00 H new ATOM 230 N THR A 16 -1.151 -11.898 5.939 1.00 0.00 N ATOM 231 CA THR A 16 -2.427 -12.590 5.872 1.00 0.00 C ATOM 232 C THR A 16 -3.563 -11.652 6.286 1.00 0.00 C ATOM 233 O THR A 16 -3.471 -10.972 7.306 1.00 0.00 O ATOM 234 CB THR A 16 -2.330 -13.846 6.740 1.00 0.00 C ATOM 235 OG1 THR A 16 -1.032 -14.363 6.459 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.279 -14.953 6.275 1.00 0.00 C ATOM 0 H THR A 16 -0.589 -12.118 6.761 1.00 0.00 H new ATOM 0 HA THR A 16 -2.657 -12.899 4.852 1.00 0.00 H new ATOM 0 HB THR A 16 -2.550 -13.589 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.884 -15.179 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.171 -15.822 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.307 -14.593 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.036 -15.234 5.250 1.00 0.00 H new ATOM 244 N CYS A 17 -4.609 -11.647 5.472 1.00 0.00 N ATOM 245 CA CYS A 17 -5.762 -10.804 5.740 1.00 0.00 C ATOM 246 C CYS A 17 -6.698 -11.558 6.687 1.00 0.00 C ATOM 247 O CYS A 17 -7.147 -12.660 6.374 1.00 0.00 O ATOM 248 CB CYS A 17 -6.470 -10.387 4.450 1.00 0.00 C ATOM 249 SG CYS A 17 -5.353 -9.974 3.060 1.00 0.00 S ATOM 0 H CYS A 17 -4.682 -12.213 4.627 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.436 -9.878 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.132 -11.195 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.100 -9.523 4.661 1.00 0.00 H new ATOM 254 N SER A 18 -6.964 -10.935 7.825 1.00 0.00 N ATOM 255 CA SER A 18 -7.839 -11.533 8.819 1.00 0.00 C ATOM 256 C SER A 18 -9.223 -10.883 8.758 1.00 0.00 C ATOM 257 O SER A 18 -9.364 -9.689 9.017 1.00 0.00 O ATOM 258 CB SER A 18 -7.250 -11.397 10.225 1.00 0.00 C ATOM 259 OG SER A 18 -8.216 -11.667 11.237 1.00 0.00 O ATOM 0 H SER A 18 -6.589 -10.022 8.081 1.00 0.00 H new ATOM 0 HA SER A 18 -7.934 -12.596 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.410 -12.083 10.334 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.858 -10.389 10.358 1.00 0.00 H new ATOM 0 HG SER A 18 -7.801 -11.571 12.119 1.00 0.00 H new ATOM 265 N GLY A 19 -10.209 -11.698 8.413 1.00 0.00 N ATOM 266 CA GLY A 19 -11.577 -11.217 8.315 1.00 0.00 C ATOM 267 C GLY A 19 -11.799 -10.459 7.004 1.00 0.00 C ATOM 268 O GLY A 19 -12.936 -10.170 6.634 1.00 0.00 O ATOM 0 H GLY A 19 -10.088 -12.688 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.267 -12.058 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.798 -10.564 9.159 1.00 0.00 H new ATOM 272 N GLU A 20 -10.694 -10.160 6.336 1.00 0.00 N ATOM 273 CA GLU A 20 -10.753 -9.442 5.075 1.00 0.00 C ATOM 274 C GLU A 20 -10.526 -10.402 3.906 1.00 0.00 C ATOM 275 O GLU A 20 -9.925 -11.462 4.076 1.00 0.00 O ATOM 276 CB GLU A 20 -9.740 -8.296 5.048 1.00 0.00 C ATOM 277 CG GLU A 20 -9.684 -7.581 6.399 1.00 0.00 C ATOM 278 CD GLU A 20 -8.468 -6.656 6.480 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.341 -7.192 6.420 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.694 -5.432 6.601 1.00 0.00 O ATOM 0 H GLU A 20 -9.753 -10.402 6.645 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.747 -9.007 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.753 -8.684 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.011 -7.585 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.596 -7.002 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.640 -8.317 7.202 1.00 0.00 H new ATOM 287 N THR A 21 -11.020 -9.998 2.745 1.00 0.00 N ATOM 288 CA THR A 21 -10.878 -10.810 1.548 1.00 0.00 C ATOM 289 C THR A 21 -10.464 -9.940 0.359 1.00 0.00 C ATOM 290 O THR A 21 -10.567 -10.364 -0.791 1.00 0.00 O ATOM 291 CB THR A 21 -12.194 -11.557 1.325 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.197 -10.588 1.619 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.425 -12.659 2.360 1.00 0.00 C ATOM 0 H THR A 21 -11.519 -9.119 2.608 1.00 0.00 H new ATOM 0 HA THR A 21 -10.084 -11.548 1.662 1.00 0.00 H new ATOM 0 HB THR A 21 -12.199 -11.992 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.084 -10.988 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.373 -13.157 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.614 -13.385 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.453 -12.221 3.358 1.00 0.00 H new ATOM 301 N ASN A 22 -10.003 -8.739 0.678 1.00 0.00 N ATOM 302 CA ASN A 22 -9.573 -7.806 -0.349 1.00 0.00 C ATOM 303 C ASN A 22 -8.239 -7.180 0.063 1.00 0.00 C ATOM 304 O ASN A 22 -7.926 -7.103 1.250 1.00 0.00 O ATOM 305 CB ASN A 22 -10.589 -6.677 -0.529 1.00 0.00 C ATOM 306 CG ASN A 22 -11.951 -7.228 -0.954 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.279 -7.308 -2.127 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.724 -7.603 0.061 1.00 0.00 N ATOM 0 H ASN A 22 -9.918 -8.391 1.633 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.477 -8.356 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.692 -6.123 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.227 -5.973 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.653 -7.985 -0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.388 -7.509 1.020 1.00 0.00 H new ATOM 315 N CYS A 23 -7.488 -6.750 -0.941 1.00 0.00 N ATOM 316 CA CYS A 23 -6.195 -6.134 -0.697 1.00 0.00 C ATOM 317 C CYS A 23 -6.253 -4.686 -1.189 1.00 0.00 C ATOM 318 O CYS A 23 -6.803 -4.410 -2.254 1.00 0.00 O ATOM 319 CB CYS A 23 -5.061 -6.917 -1.361 1.00 0.00 C ATOM 320 SG CYS A 23 -5.022 -8.702 -0.958 1.00 0.00 S ATOM 0 H CYS A 23 -7.750 -6.816 -1.924 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.979 -6.146 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.145 -6.805 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.110 -6.472 -1.067 1.00 0.00 H new ATOM 325 N TYR A 24 -5.677 -3.800 -0.390 1.00 0.00 N ATOM 326 CA TYR A 24 -5.656 -2.388 -0.731 1.00 0.00 C ATOM 327 C TYR A 24 -4.223 -1.893 -0.932 1.00 0.00 C ATOM 328 O TYR A 24 -3.285 -2.445 -0.357 1.00 0.00 O ATOM 329 CB TYR A 24 -6.272 -1.656 0.464 1.00 0.00 C ATOM 330 CG TYR A 24 -5.309 -1.458 1.636 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.496 -0.344 1.680 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.253 -2.394 2.649 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.590 -0.158 2.784 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.347 -2.208 3.752 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.560 -1.099 3.765 1.00 0.00 C ATOM 336 OH TYR A 24 -2.703 -0.923 4.807 1.00 0.00 O ATOM 0 H TYR A 24 -5.221 -4.033 0.492 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.201 -2.210 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.632 -0.681 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.141 -2.215 0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.539 0.388 0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.889 -3.266 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.949 0.710 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.293 -2.933 4.551 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.078 -1.336 5.612 1.00 0.00 H new ATOM 346 N LYS A 25 -4.097 -0.859 -1.750 1.00 0.00 N ATOM 347 CA LYS A 25 -2.793 -0.284 -2.035 1.00 0.00 C ATOM 348 C LYS A 25 -2.907 1.241 -2.061 1.00 0.00 C ATOM 349 O LYS A 25 -3.620 1.800 -2.894 1.00 0.00 O ATOM 350 CB LYS A 25 -2.214 -0.879 -3.320 1.00 0.00 C ATOM 351 CG LYS A 25 -0.973 -0.106 -3.772 1.00 0.00 C ATOM 352 CD LYS A 25 -0.812 -0.168 -5.292 1.00 0.00 C ATOM 353 CE LYS A 25 0.261 0.813 -5.770 1.00 0.00 C ATOM 354 NZ LYS A 25 0.830 0.369 -7.062 1.00 0.00 N ATOM 0 H LYS A 25 -4.877 -0.404 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.085 -0.538 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.955 -1.925 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.968 -0.856 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.051 0.933 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.087 -0.521 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.543 -1.181 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.763 0.065 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.170 1.808 -5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.052 0.888 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.603 1.008 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.199 -0.599 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.089 0.386 -7.792 1.00 0.00 H new ATOM 368 N LYS A 26 -2.195 1.872 -1.138 1.00 0.00 N ATOM 369 CA LYS A 26 -2.208 3.322 -1.045 1.00 0.00 C ATOM 370 C LYS A 26 -0.858 3.871 -1.510 1.00 0.00 C ATOM 371 O LYS A 26 0.185 3.283 -1.230 1.00 0.00 O ATOM 372 CB LYS A 26 -2.598 3.764 0.367 1.00 0.00 C ATOM 373 CG LYS A 26 -2.613 5.290 0.479 1.00 0.00 C ATOM 374 CD LYS A 26 -2.401 5.736 1.927 1.00 0.00 C ATOM 375 CE LYS A 26 -3.717 5.711 2.707 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.201 4.321 2.863 1.00 0.00 N ATOM 0 H LYS A 26 -1.606 1.406 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.967 3.740 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.582 3.368 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.894 3.350 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.832 5.712 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.564 5.676 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.675 5.082 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.983 6.743 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.574 6.165 3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.467 6.307 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.902 4.282 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.641 4.005 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.400 3.699 3.094 1.00 0.00 H new ATOM 390 N TRP A 27 -0.922 4.992 -2.214 1.00 0.00 N ATOM 391 CA TRP A 27 0.283 5.626 -2.722 1.00 0.00 C ATOM 392 C TRP A 27 -0.038 7.097 -2.996 1.00 0.00 C ATOM 393 O TRP A 27 -1.148 7.428 -3.409 1.00 0.00 O ATOM 394 CB TRP A 27 0.813 4.890 -3.953 1.00 0.00 C ATOM 395 CG TRP A 27 -0.051 5.066 -5.204 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.098 5.962 -6.190 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.211 4.287 -5.564 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.878 5.817 -7.155 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.698 4.766 -6.763 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.827 3.212 -4.900 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.824 4.232 -7.401 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.951 2.689 -5.551 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.455 3.160 -6.757 1.00 0.00 C ATOM 0 H TRP A 27 -1.789 5.477 -2.444 1.00 0.00 H new ATOM 0 HA TRP A 27 1.086 5.575 -1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.822 5.243 -4.168 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.889 3.827 -3.723 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.882 6.703 -6.225 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.979 6.378 -8.001 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.462 2.820 -3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.187 4.625 -8.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.462 1.861 -5.083 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.329 2.702 -7.196 1.00 0.00 H new ATOM 414 N TRP A 28 0.955 7.940 -2.756 1.00 0.00 N ATOM 415 CA TRP A 28 0.793 9.368 -2.972 1.00 0.00 C ATOM 416 C TRP A 28 2.187 9.993 -3.064 1.00 0.00 C ATOM 417 O TRP A 28 3.188 9.331 -2.795 1.00 0.00 O ATOM 418 CB TRP A 28 -0.071 9.994 -1.876 1.00 0.00 C ATOM 419 CG TRP A 28 0.561 9.951 -0.483 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.200 10.936 0.164 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.590 8.821 0.414 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.637 10.524 1.406 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.254 9.197 1.563 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.073 7.523 0.258 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.462 8.335 2.646 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.288 6.673 1.350 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.955 7.037 2.514 1.00 0.00 C ATOM 0 H TRP A 28 1.875 7.662 -2.414 1.00 0.00 H new ATOM 0 HA TRP A 28 0.263 9.559 -3.905 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.277 11.032 -2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.030 9.477 -1.844 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.353 11.927 -0.237 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.147 11.089 2.084 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.449 7.207 -0.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.985 8.654 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.091 5.664 1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.081 6.321 3.313 1.00 0.00 H new ATOM 438 N SER A 29 2.207 11.262 -3.444 1.00 0.00 N ATOM 439 CA SER A 29 3.461 11.985 -3.575 1.00 0.00 C ATOM 440 C SER A 29 3.656 12.917 -2.378 1.00 0.00 C ATOM 441 O SER A 29 2.684 13.363 -1.770 1.00 0.00 O ATOM 442 CB SER A 29 3.504 12.781 -4.881 1.00 0.00 C ATOM 443 OG SER A 29 4.820 13.234 -5.187 1.00 0.00 O ATOM 0 H SER A 29 1.375 11.808 -3.665 1.00 0.00 H new ATOM 0 HA SER A 29 4.274 11.259 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.136 12.159 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.834 13.638 -4.806 1.00 0.00 H new ATOM 0 HG SER A 29 4.806 13.736 -6.028 1.00 0.00 H new ATOM 449 N ASP A 30 4.918 13.183 -2.075 1.00 0.00 N ATOM 450 CA ASP A 30 5.252 14.054 -0.961 1.00 0.00 C ATOM 451 C ASP A 30 6.509 14.855 -1.305 1.00 0.00 C ATOM 452 O ASP A 30 7.204 14.543 -2.271 1.00 0.00 O ATOM 453 CB ASP A 30 5.539 13.244 0.305 1.00 0.00 C ATOM 454 CG ASP A 30 4.394 12.341 0.768 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.844 11.631 -0.102 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.095 12.381 1.981 1.00 0.00 O ATOM 0 H ASP A 30 5.721 12.811 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 30 4.403 14.713 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.421 12.627 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.786 13.934 1.112 1.00 0.00 H new ATOM 461 N HIS A 31 6.764 15.872 -0.495 1.00 0.00 N ATOM 462 CA HIS A 31 7.926 16.720 -0.702 1.00 0.00 C ATOM 463 C HIS A 31 9.201 15.914 -0.447 1.00 0.00 C ATOM 464 O HIS A 31 10.301 16.370 -0.758 1.00 0.00 O ATOM 465 CB HIS A 31 7.839 17.981 0.161 1.00 0.00 C ATOM 466 CG HIS A 31 9.001 18.928 -0.017 1.00 0.00 C ATOM 467 ND1 HIS A 31 9.418 19.798 0.975 1.00 0.00 N ATOM 468 CD2 HIS A 31 9.830 19.133 -1.081 1.00 0.00 C ATOM 469 CE1 HIS A 31 10.451 20.491 0.518 1.00 0.00 C ATOM 470 NE2 HIS A 31 10.704 20.077 -0.757 1.00 0.00 N ATOM 0 H HIS A 31 6.186 16.128 0.306 1.00 0.00 H new ATOM 0 HA HIS A 31 7.953 17.060 -1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.915 18.508 -0.076 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.779 17.688 1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.783 18.614 -2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.996 21.250 1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.444 20.434 -1.362 1.00 0.00 H new ATOM 479 N ARG A 32 9.012 14.731 0.118 1.00 0.00 N ATOM 480 CA ARG A 32 10.134 13.857 0.419 1.00 0.00 C ATOM 481 C ARG A 32 10.231 12.740 -0.623 1.00 0.00 C ATOM 482 O ARG A 32 11.316 12.226 -0.888 1.00 0.00 O ATOM 483 CB ARG A 32 9.991 13.237 1.810 1.00 0.00 C ATOM 484 CG ARG A 32 11.323 12.656 2.290 1.00 0.00 C ATOM 485 CD ARG A 32 11.466 11.192 1.870 1.00 0.00 C ATOM 486 NE ARG A 32 10.909 10.308 2.919 1.00 0.00 N ATOM 487 CZ ARG A 32 11.183 9.000 3.021 1.00 0.00 C ATOM 488 NH1 ARG A 32 12.006 8.417 2.140 1.00 0.00 N ATOM 489 NH2 ARG A 32 10.632 8.276 4.005 1.00 0.00 N ATOM 0 H ARG A 32 8.099 14.357 0.376 1.00 0.00 H new ATOM 0 HA ARG A 32 11.041 14.461 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.644 13.992 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.235 12.452 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.147 13.238 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.388 12.735 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.946 11.023 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.516 10.954 1.702 1.00 0.00 H new ATOM 0 HE ARG A 32 10.278 10.720 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.425 8.968 1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.214 7.422 2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.005 8.720 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.840 7.280 4.084 1.00 0.00 H new ATOM 503 N GLY A 33 9.081 12.397 -1.184 1.00 0.00 N ATOM 504 CA GLY A 33 9.022 11.351 -2.191 1.00 0.00 C ATOM 505 C GLY A 33 7.631 10.717 -2.242 1.00 0.00 C ATOM 506 O GLY A 33 6.713 11.168 -1.557 1.00 0.00 O ATOM 0 H GLY A 33 8.183 12.825 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.272 11.767 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.766 10.586 -1.970 1.00 0.00 H new ATOM 510 N THR A 34 7.517 9.682 -3.061 1.00 0.00 N ATOM 511 CA THR A 34 6.253 8.981 -3.211 1.00 0.00 C ATOM 512 C THR A 34 6.077 7.952 -2.093 1.00 0.00 C ATOM 513 O THR A 34 6.836 6.988 -2.007 1.00 0.00 O ATOM 514 CB THR A 34 6.215 8.369 -4.613 1.00 0.00 C ATOM 515 OG1 THR A 34 5.917 9.471 -5.466 1.00 0.00 O ATOM 516 CG2 THR A 34 5.031 7.419 -4.805 1.00 0.00 C ATOM 0 H THR A 34 8.280 9.312 -3.628 1.00 0.00 H new ATOM 0 HA THR A 34 5.409 9.664 -3.116 1.00 0.00 H new ATOM 0 HB THR A 34 7.145 7.833 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.875 9.163 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.051 7.012 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.098 6.604 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.099 7.963 -4.651 1.00 0.00 H new ATOM 524 N ILE A 35 5.071 8.191 -1.265 1.00 0.00 N ATOM 525 CA ILE A 35 4.786 7.297 -0.155 1.00 0.00 C ATOM 526 C ILE A 35 3.782 6.235 -0.607 1.00 0.00 C ATOM 527 O ILE A 35 2.785 6.553 -1.253 1.00 0.00 O ATOM 528 CB ILE A 35 4.331 8.092 1.070 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.371 9.144 1.459 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.996 7.159 2.235 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.055 9.747 2.829 1.00 0.00 C ATOM 0 H ILE A 35 4.443 8.991 -1.340 1.00 0.00 H new ATOM 0 HA ILE A 35 5.690 6.771 0.153 1.00 0.00 H new ATOM 0 HB ILE A 35 3.416 8.625 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.362 8.691 1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.394 9.933 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.675 7.749 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.194 6.482 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.880 6.580 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.810 10.492 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.073 10.220 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.056 8.959 3.582 1.00 0.00 H new ATOM 543 N ILE A 36 4.081 4.994 -0.250 1.00 0.00 N ATOM 544 CA ILE A 36 3.217 3.883 -0.611 1.00 0.00 C ATOM 545 C ILE A 36 2.952 3.025 0.628 1.00 0.00 C ATOM 546 O ILE A 36 3.887 2.598 1.303 1.00 0.00 O ATOM 547 CB ILE A 36 3.811 3.102 -1.784 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.437 4.047 -2.812 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.764 2.181 -2.416 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.075 3.263 -3.960 1.00 0.00 C ATOM 0 H ILE A 36 4.909 4.734 0.285 1.00 0.00 H new ATOM 0 HA ILE A 36 2.251 4.249 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 36 4.610 2.467 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.674 4.719 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.191 4.669 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.212 1.637 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.405 1.472 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.928 2.777 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.512 3.958 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.854 2.610 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.314 2.661 -4.457 1.00 0.00 H new ATOM 562 N GLU A 37 1.673 2.799 0.890 1.00 0.00 N ATOM 563 CA GLU A 37 1.273 2.000 2.036 1.00 0.00 C ATOM 564 C GLU A 37 0.223 0.967 1.622 1.00 0.00 C ATOM 565 O GLU A 37 -0.886 1.327 1.230 1.00 0.00 O ATOM 566 CB GLU A 37 0.754 2.887 3.168 1.00 0.00 C ATOM 567 CG GLU A 37 0.729 2.125 4.495 1.00 0.00 C ATOM 568 CD GLU A 37 0.229 3.019 5.632 1.00 0.00 C ATOM 569 OE1 GLU A 37 -0.553 3.944 5.324 1.00 0.00 O ATOM 570 OE2 GLU A 37 0.640 2.756 6.783 1.00 0.00 O ATOM 0 H GLU A 37 0.900 3.155 0.328 1.00 0.00 H new ATOM 0 HA GLU A 37 2.149 1.469 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.387 3.769 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.249 3.239 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.084 1.251 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.729 1.760 4.728 1.00 0.00 H new ATOM 577 N ARG A 38 0.609 -0.296 1.724 1.00 0.00 N ATOM 578 CA ARG A 38 -0.285 -1.384 1.365 1.00 0.00 C ATOM 579 C ARG A 38 -0.598 -2.240 2.594 1.00 0.00 C ATOM 580 O ARG A 38 0.130 -2.200 3.585 1.00 0.00 O ATOM 581 CB ARG A 38 0.330 -2.268 0.279 1.00 0.00 C ATOM 582 CG ARG A 38 1.051 -1.422 -0.773 1.00 0.00 C ATOM 583 CD ARG A 38 1.962 -2.290 -1.644 1.00 0.00 C ATOM 584 NE ARG A 38 2.062 -1.712 -3.004 1.00 0.00 N ATOM 585 CZ ARG A 38 3.124 -1.031 -3.454 1.00 0.00 C ATOM 586 NH1 ARG A 38 4.183 -0.837 -2.656 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.127 -0.543 -4.702 1.00 0.00 N ATOM 0 H ARG A 38 1.529 -0.591 2.050 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.205 -0.944 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.032 -2.970 0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.451 -2.860 -0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.319 -0.914 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.641 -0.649 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.953 -2.357 -1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.568 -3.305 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 38 1.273 -1.841 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.180 -1.208 -1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.992 -0.318 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.321 -0.690 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.936 -0.024 -5.045 1.00 0.00 H new ATOM 601 N GLY A 39 -1.682 -2.995 2.488 1.00 0.00 N ATOM 602 CA GLY A 39 -2.100 -3.860 3.578 1.00 0.00 C ATOM 603 C GLY A 39 -3.323 -4.689 3.182 1.00 0.00 C ATOM 604 O GLY A 39 -3.790 -4.610 2.047 1.00 0.00 O ATOM 0 H GLY A 39 -2.283 -3.025 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.281 -4.523 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.333 -3.258 4.456 1.00 0.00 H new ATOM 608 N CYS A 40 -3.808 -5.465 4.141 1.00 0.00 N ATOM 609 CA CYS A 40 -4.968 -6.308 3.906 1.00 0.00 C ATOM 610 C CYS A 40 -6.226 -5.470 4.143 1.00 0.00 C ATOM 611 O CYS A 40 -6.207 -4.524 4.930 1.00 0.00 O ATOM 612 CB CYS A 40 -4.944 -7.561 4.783 1.00 0.00 C ATOM 613 SG CYS A 40 -3.887 -8.917 4.155 1.00 0.00 S ATOM 0 H CYS A 40 -3.419 -5.527 5.082 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.958 -6.665 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.601 -7.283 5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.963 -7.933 4.889 1.00 0.00 H new ATOM 618 N GLY A 41 -7.290 -5.848 3.449 1.00 0.00 N ATOM 619 CA GLY A 41 -8.554 -5.143 3.574 1.00 0.00 C ATOM 620 C GLY A 41 -8.707 -4.091 2.473 1.00 0.00 C ATOM 621 O GLY A 41 -7.953 -4.091 1.501 1.00 0.00 O ATOM 0 H GLY A 41 -7.302 -6.633 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.378 -5.854 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.612 -4.663 4.551 1.00 0.00 H new ATOM 625 N CYS A 42 -9.688 -3.221 2.663 1.00 0.00 N ATOM 626 CA CYS A 42 -9.950 -2.167 1.698 1.00 0.00 C ATOM 627 C CYS A 42 -10.415 -0.924 2.459 1.00 0.00 C ATOM 628 O CYS A 42 -11.596 -0.582 2.433 1.00 0.00 O ATOM 629 CB CYS A 42 -10.968 -2.605 0.643 1.00 0.00 C ATOM 630 SG CYS A 42 -11.486 -1.288 -0.517 1.00 0.00 S ATOM 0 H CYS A 42 -10.311 -3.224 3.471 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.036 -1.936 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.544 -3.429 0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.852 -2.992 1.150 1.00 0.00 H new ATOM 635 N PRO A 43 -9.462 -0.282 3.119 1.00 0.00 N ATOM 636 CA PRO A 43 -9.683 0.928 3.912 1.00 0.00 C ATOM 637 C PRO A 43 -10.002 2.121 3.008 1.00 0.00 C ATOM 638 O PRO A 43 -10.063 1.979 1.788 1.00 0.00 O ATOM 639 CB PRO A 43 -8.346 1.131 4.628 1.00 0.00 C ATOM 640 CG PRO A 43 -7.348 0.497 3.705 1.00 0.00 C ATOM 641 CD PRO A 43 -8.059 -0.702 3.141 1.00 0.00 C ATOM 0 HA PRO A 43 -10.526 0.840 4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.132 2.188 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.341 0.657 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.045 1.185 2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.443 0.206 4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.698 -0.951 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.913 -1.585 3.763 1.00 0.00 H new ATOM 649 N LYS A 44 -10.199 3.268 3.641 1.00 0.00 N ATOM 650 CA LYS A 44 -10.511 4.483 2.908 1.00 0.00 C ATOM 651 C LYS A 44 -9.363 5.482 3.073 1.00 0.00 C ATOM 652 O LYS A 44 -8.786 5.598 4.153 1.00 0.00 O ATOM 653 CB LYS A 44 -11.871 5.034 3.338 1.00 0.00 C ATOM 654 CG LYS A 44 -11.829 5.532 4.785 1.00 0.00 C ATOM 655 CD LYS A 44 -13.242 5.728 5.339 1.00 0.00 C ATOM 656 CE LYS A 44 -13.224 6.621 6.581 1.00 0.00 C ATOM 657 NZ LYS A 44 -13.327 8.046 6.196 1.00 0.00 N ATOM 0 H LYS A 44 -10.149 3.382 4.653 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.601 4.272 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.162 5.850 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.630 4.258 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.288 4.816 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.282 6.473 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.878 6.175 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.676 4.760 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.051 6.355 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.304 6.455 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.313 8.638 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.524 8.300 5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.216 8.203 5.680 1.00 0.00 H new ATOM 671 N VAL A 45 -9.066 6.177 1.985 1.00 0.00 N ATOM 672 CA VAL A 45 -7.997 7.162 1.995 1.00 0.00 C ATOM 673 C VAL A 45 -8.594 8.558 1.803 1.00 0.00 C ATOM 674 O VAL A 45 -9.732 8.694 1.358 1.00 0.00 O ATOM 675 CB VAL A 45 -6.950 6.809 0.937 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.435 5.381 1.131 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.508 7.003 -0.474 1.00 0.00 C ATOM 0 H VAL A 45 -9.547 6.078 1.091 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.483 7.158 2.956 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.107 7.489 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.692 5.155 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.980 5.289 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.266 4.680 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.743 6.745 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.376 6.359 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.803 8.044 -0.609 1.00 0.00 H new ATOM 687 N LYS A 46 -7.798 9.559 2.148 1.00 0.00 N ATOM 688 CA LYS A 46 -8.234 10.939 2.019 1.00 0.00 C ATOM 689 C LYS A 46 -7.956 11.426 0.596 1.00 0.00 C ATOM 690 O LYS A 46 -7.280 10.747 -0.176 1.00 0.00 O ATOM 691 CB LYS A 46 -7.591 11.808 3.103 1.00 0.00 C ATOM 692 CG LYS A 46 -7.513 11.056 4.433 1.00 0.00 C ATOM 693 CD LYS A 46 -7.065 11.985 5.563 1.00 0.00 C ATOM 694 CE LYS A 46 -5.624 12.454 5.348 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.729 11.296 5.129 1.00 0.00 N ATOM 0 H LYS A 46 -6.854 9.442 2.517 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.310 11.015 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.590 12.105 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.170 12.723 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.488 10.631 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.815 10.223 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.729 12.848 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.144 11.466 6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.578 13.124 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.287 13.023 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.748 11.571 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.010 10.516 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.799 10.986 4.139 1.00 0.00 H new ATOM 709 N PRO A 47 -8.491 12.599 0.291 1.00 0.00 N ATOM 710 CA PRO A 47 -8.354 13.256 -1.011 1.00 0.00 C ATOM 711 C PRO A 47 -6.875 13.488 -1.324 1.00 0.00 C ATOM 712 O PRO A 47 -6.124 13.962 -0.472 1.00 0.00 O ATOM 713 CB PRO A 47 -9.061 14.599 -0.815 1.00 0.00 C ATOM 714 CG PRO A 47 -10.031 14.334 0.300 1.00 0.00 C ATOM 715 CD PRO A 47 -9.294 13.400 1.218 1.00 0.00 C ATOM 0 HA PRO A 47 -8.769 12.670 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.356 15.388 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.573 14.918 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.311 15.255 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.951 13.883 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.670 13.941 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.978 12.781 1.799 1.00 0.00 H new ATOM 723 N GLY A 48 -6.499 13.142 -2.546 1.00 0.00 N ATOM 724 CA GLY A 48 -5.122 13.307 -2.981 1.00 0.00 C ATOM 725 C GLY A 48 -4.378 11.970 -2.963 1.00 0.00 C ATOM 726 O GLY A 48 -3.527 11.718 -3.815 1.00 0.00 O ATOM 0 H GLY A 48 -7.124 12.748 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.102 13.725 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.614 14.019 -2.330 1.00 0.00 H new ATOM 730 N VAL A 49 -4.725 11.149 -1.983 1.00 0.00 N ATOM 731 CA VAL A 49 -4.101 9.845 -1.843 1.00 0.00 C ATOM 732 C VAL A 49 -4.773 8.857 -2.798 1.00 0.00 C ATOM 733 O VAL A 49 -5.970 8.960 -3.063 1.00 0.00 O ATOM 734 CB VAL A 49 -4.154 9.394 -0.381 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.107 8.313 -0.103 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.980 10.582 0.566 1.00 0.00 C ATOM 0 H VAL A 49 -5.431 11.362 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.047 9.895 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.138 8.962 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.166 8.010 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.296 7.450 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.112 8.708 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.022 10.234 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.016 11.056 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.778 11.304 0.394 1.00 0.00 H new ATOM 746 N ASN A 50 -3.974 7.922 -3.290 1.00 0.00 N ATOM 747 CA ASN A 50 -4.476 6.916 -4.210 1.00 0.00 C ATOM 748 C ASN A 50 -4.721 5.611 -3.450 1.00 0.00 C ATOM 749 O ASN A 50 -3.980 5.278 -2.527 1.00 0.00 O ATOM 750 CB ASN A 50 -3.464 6.632 -5.322 1.00 0.00 C ATOM 751 CG ASN A 50 -3.479 7.743 -6.374 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.325 7.791 -7.252 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.498 8.631 -6.237 1.00 0.00 N ATOM 0 H ASN A 50 -2.982 7.840 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.399 7.293 -4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.465 6.544 -4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.695 5.677 -5.793 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.421 9.411 -6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.823 8.532 -5.479 1.00 0.00 H new ATOM 760 N LEU A 51 -5.765 4.908 -3.865 1.00 0.00 N ATOM 761 CA LEU A 51 -6.117 3.648 -3.235 1.00 0.00 C ATOM 762 C LEU A 51 -6.643 2.680 -4.297 1.00 0.00 C ATOM 763 O LEU A 51 -7.377 3.082 -5.198 1.00 0.00 O ATOM 764 CB LEU A 51 -7.091 3.881 -2.078 1.00 0.00 C ATOM 765 CG LEU A 51 -7.688 2.625 -1.441 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.587 1.683 -0.949 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.671 2.990 -0.326 1.00 0.00 C ATOM 0 H LEU A 51 -6.378 5.188 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.236 3.185 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.575 4.447 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.909 4.506 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.252 2.090 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.039 0.798 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.961 1.384 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.976 2.195 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.081 2.079 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.152 3.560 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.481 3.592 -0.738 1.00 0.00 H new ATOM 779 N ASN A 52 -6.247 1.424 -4.155 1.00 0.00 N ATOM 780 CA ASN A 52 -6.670 0.396 -5.092 1.00 0.00 C ATOM 781 C ASN A 52 -7.012 -0.880 -4.321 1.00 0.00 C ATOM 782 O ASN A 52 -6.158 -1.446 -3.640 1.00 0.00 O ATOM 783 CB ASN A 52 -5.555 0.064 -6.085 1.00 0.00 C ATOM 784 CG ASN A 52 -6.084 -0.792 -7.237 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.535 -0.297 -8.257 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.004 -2.102 -7.019 1.00 0.00 N ATOM 0 H ASN A 52 -5.638 1.094 -3.406 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.537 0.771 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.127 0.986 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.752 -0.466 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.331 -2.758 -7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.615 -2.450 -6.143 1.00 0.00 H new ATOM 793 N CYS A 53 -8.263 -1.296 -4.453 1.00 0.00 N ATOM 794 CA CYS A 53 -8.728 -2.495 -3.777 1.00 0.00 C ATOM 795 C CYS A 53 -8.985 -3.573 -4.833 1.00 0.00 C ATOM 796 O CYS A 53 -9.425 -3.269 -5.941 1.00 0.00 O ATOM 797 CB CYS A 53 -9.971 -2.220 -2.929 1.00 0.00 C ATOM 798 SG CYS A 53 -9.763 -0.916 -1.662 1.00 0.00 S ATOM 0 H CYS A 53 -8.969 -0.824 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.964 -2.843 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.790 -1.937 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.267 -3.144 -2.433 1.00 0.00 H new ATOM 803 N CYS A 54 -8.699 -4.809 -4.452 1.00 0.00 N ATOM 804 CA CYS A 54 -8.893 -5.933 -5.352 1.00 0.00 C ATOM 805 C CYS A 54 -9.154 -7.184 -4.510 1.00 0.00 C ATOM 806 O CYS A 54 -8.899 -7.190 -3.307 1.00 0.00 O ATOM 807 CB CYS A 54 -7.701 -6.117 -6.293 1.00 0.00 C ATOM 808 SG CYS A 54 -6.070 -5.760 -5.544 1.00 0.00 S ATOM 0 H CYS A 54 -8.334 -5.057 -3.532 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.753 -5.743 -5.994 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.700 -7.144 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.837 -5.470 -7.159 1.00 0.00 H new ATOM 813 N ARG A 55 -9.658 -8.212 -5.176 1.00 0.00 N ATOM 814 CA ARG A 55 -9.956 -9.465 -4.504 1.00 0.00 C ATOM 815 C ARG A 55 -9.003 -10.563 -4.980 1.00 0.00 C ATOM 816 O ARG A 55 -9.433 -11.674 -5.285 1.00 0.00 O ATOM 817 CB ARG A 55 -11.399 -9.902 -4.767 1.00 0.00 C ATOM 818 CG ARG A 55 -12.391 -8.878 -4.212 1.00 0.00 C ATOM 819 CD ARG A 55 -13.671 -8.846 -5.050 1.00 0.00 C ATOM 820 NE ARG A 55 -14.576 -9.940 -4.634 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.391 -9.878 -3.572 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.418 -8.775 -2.811 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.178 -10.920 -3.269 1.00 0.00 N ATOM 0 H ARG A 55 -9.868 -8.203 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.826 -9.306 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.557 -10.023 -5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.578 -10.874 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.634 -9.125 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.932 -7.889 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.170 -7.885 -4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.426 -8.948 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.580 -10.795 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.818 -7.982 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.038 -8.728 -2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.157 -11.760 -3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.798 -10.873 -2.461 1.00 0.00 H new ATOM 837 N THR A 56 -7.726 -10.213 -5.030 1.00 0.00 N ATOM 838 CA THR A 56 -6.709 -11.155 -5.465 1.00 0.00 C ATOM 839 C THR A 56 -5.501 -11.106 -4.527 1.00 0.00 C ATOM 840 O THR A 56 -5.134 -10.039 -4.037 1.00 0.00 O ATOM 841 CB THR A 56 -6.361 -10.837 -6.921 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.454 -9.417 -6.997 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.426 -11.334 -7.900 1.00 0.00 C ATOM 0 H THR A 56 -7.373 -9.290 -4.777 1.00 0.00 H new ATOM 0 HA THR A 56 -7.075 -12.181 -5.420 1.00 0.00 H new ATOM 0 HB THR A 56 -5.401 -11.287 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.242 -9.124 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.130 -11.083 -8.918 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.528 -12.415 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.380 -10.859 -7.672 1.00 0.00 H new ATOM 851 N ASP A 57 -4.916 -12.274 -4.306 1.00 0.00 N ATOM 852 CA ASP A 57 -3.758 -12.378 -3.435 1.00 0.00 C ATOM 853 C ASP A 57 -2.607 -11.560 -4.024 1.00 0.00 C ATOM 854 O ASP A 57 -2.425 -11.525 -5.240 1.00 0.00 O ATOM 855 CB ASP A 57 -3.290 -13.829 -3.311 1.00 0.00 C ATOM 856 CG ASP A 57 -4.309 -14.786 -2.687 1.00 0.00 C ATOM 857 OD1 ASP A 57 -5.497 -14.670 -3.059 1.00 0.00 O ATOM 858 OD2 ASP A 57 -3.877 -15.611 -1.853 1.00 0.00 O ATOM 0 H ASP A 57 -5.222 -13.157 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.042 -12.005 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.029 -14.197 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.379 -13.851 -2.713 1.00 0.00 H new ATOM 863 N ARG A 58 -1.861 -10.921 -3.135 1.00 0.00 N ATOM 864 CA ARG A 58 -0.733 -10.105 -3.552 1.00 0.00 C ATOM 865 C ARG A 58 -1.107 -9.269 -4.777 1.00 0.00 C ATOM 866 O ARG A 58 -0.273 -9.031 -5.649 1.00 0.00 O ATOM 867 CB ARG A 58 0.481 -10.974 -3.887 1.00 0.00 C ATOM 868 CG ARG A 58 0.599 -12.150 -2.915 1.00 0.00 C ATOM 869 CD ARG A 58 2.024 -12.706 -2.899 1.00 0.00 C ATOM 870 NE ARG A 58 2.246 -13.492 -1.664 1.00 0.00 N ATOM 871 CZ ARG A 58 3.249 -14.365 -1.500 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.128 -14.571 -2.491 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.373 -15.034 -0.345 1.00 0.00 N ATOM 0 H ARG A 58 -2.016 -10.952 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.476 -9.446 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.394 -11.348 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.388 -10.370 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.319 -11.827 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.099 -12.936 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.188 -13.334 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.743 -11.889 -2.954 1.00 0.00 H new ATOM 0 HE ARG A 58 1.595 -13.361 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.033 -14.063 -3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.891 -15.236 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.704 -14.878 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.137 -15.699 -0.220 1.00 0.00 H new ATOM 887 N CYS A 59 -2.363 -8.847 -4.805 1.00 0.00 N ATOM 888 CA CYS A 59 -2.858 -8.042 -5.909 1.00 0.00 C ATOM 889 C CYS A 59 -2.548 -6.574 -5.610 1.00 0.00 C ATOM 890 O CYS A 59 -2.476 -5.753 -6.523 1.00 0.00 O ATOM 891 CB CYS A 59 -4.351 -8.273 -6.153 1.00 0.00 C ATOM 892 SG CYS A 59 -5.457 -7.523 -4.902 1.00 0.00 S ATOM 0 H CYS A 59 -3.053 -9.048 -4.081 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.357 -8.337 -6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.611 -7.874 -7.133 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.538 -9.346 -6.186 1.00 0.00 H new ATOM 897 N ASN A 60 -2.374 -6.288 -4.328 1.00 0.00 N ATOM 898 CA ASN A 60 -2.074 -4.933 -3.898 1.00 0.00 C ATOM 899 C ASN A 60 -0.560 -4.774 -3.746 1.00 0.00 C ATOM 900 O ASN A 60 -0.083 -4.287 -2.722 1.00 0.00 O ATOM 901 CB ASN A 60 -2.720 -4.630 -2.544 1.00 0.00 C ATOM 902 CG ASN A 60 -2.087 -5.472 -1.434 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.805 -6.647 -1.596 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.882 -4.806 -0.301 1.00 0.00 N ATOM 0 H ASN A 60 -2.435 -6.971 -3.573 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.467 -4.246 -4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.607 -3.571 -2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.790 -4.833 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.465 -5.279 0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.142 -3.822 -0.234 1.00 0.00 H new ATOM 911 N ASN A 61 0.154 -5.195 -4.780 1.00 0.00 N ATOM 912 CA ASN A 61 1.604 -5.106 -4.774 1.00 0.00 C ATOM 913 C ASN A 61 2.028 -3.732 -5.298 1.00 0.00 C ATOM 914 O ASN A 61 3.248 -3.464 -5.264 1.00 0.00 O ATOM 915 CB ASN A 61 2.225 -6.170 -5.681 1.00 0.00 C ATOM 916 CG ASN A 61 2.326 -5.670 -7.123 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.306 -5.069 -7.532 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.262 -5.952 -7.869 1.00 0.00 N ATOM 919 OXT ASN A 61 1.122 -2.982 -5.722 1.00 0.00 O ATOM 0 H ASN A 61 -0.245 -5.599 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 61 1.947 -5.260 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.217 -6.433 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.622 -7.078 -5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.233 -5.662 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.475 -6.459 -7.464 1.00 0.00 H new