USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 447 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot 6:sc= 1.12 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= -0.469 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 134:sc= 0.641 (180deg=-2.81!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.54 K(o=-1.7,f=-7.8!) USER MOD Set 3.2: A 13 THR OG1 : rot 103:sc= -0.174 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -4.51 K(o=-4.5,f=-5.4!) USER MOD Single : A 6 GLN : amide:sc= -1.85! C(o=-1.8!,f=-1.9!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.066) 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= -1.33 K(o=-1.3,f=-0.5) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= -0.006 (180deg=-0.127) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -88:sc= 0.0961 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0.0333 (180deg=0.0332) USER MOD Single : A 31 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-1.6) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0974) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-0.00712 X(o=-0.0071,f=-0.057) USER MOD Single : A 52 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.83) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.63 K(o=-2.6,f=-13!) USER MOD Single : A 61 ASN : amide:sc= -1.7 K(o=-1.7,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.343 13.954 0.331 1.00 0.00 N ATOM 2 CA LEU A 1 3.744 13.068 -0.702 1.00 0.00 C ATOM 3 C LEU A 1 2.375 12.557 -0.261 1.00 0.00 C ATOM 4 O LEU A 1 2.247 11.907 0.776 1.00 0.00 O ATOM 5 CB LEU A 1 4.694 11.893 -0.946 1.00 0.00 C ATOM 6 CG LEU A 1 4.871 11.500 -2.415 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.311 11.094 -2.690 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.919 10.372 -2.782 1.00 0.00 C ATOM 0 H1 LEU A 1 5.273 14.287 0.006 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.719 14.771 0.492 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.456 13.425 1.219 1.00 0.00 H new ATOM 0 HA LEU A 1 3.603 13.634 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.671 12.143 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.326 11.027 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 1 4.635 12.366 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.417 10.818 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.974 11.930 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.575 10.243 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.058 10.105 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.125 9.504 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.891 10.698 -2.624 1.00 0.00 H new ATOM 22 N GLU A 2 1.354 12.856 -1.058 1.00 0.00 N ATOM 23 CA GLU A 2 -0.006 12.427 -0.750 1.00 0.00 C ATOM 24 C GLU A 2 -0.315 11.087 -1.411 1.00 0.00 C ATOM 25 O GLU A 2 -0.899 11.038 -2.494 1.00 0.00 O ATOM 26 CB GLU A 2 -1.012 13.482 -1.213 1.00 0.00 C ATOM 27 CG GLU A 2 -2.285 13.514 -0.385 1.00 0.00 C ATOM 28 CD GLU A 2 -3.204 14.656 -0.774 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.936 15.802 -0.359 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.193 14.402 -1.495 1.00 0.00 O ATOM 0 H GLU A 2 1.442 13.393 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.088 12.307 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.539 14.464 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.271 13.292 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.815 12.569 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.026 13.604 0.670 1.00 0.00 H new ATOM 37 N CYS A 3 0.083 10.003 -0.754 1.00 0.00 N ATOM 38 CA CYS A 3 -0.146 8.666 -1.274 1.00 0.00 C ATOM 39 C CYS A 3 -1.579 8.215 -1.003 1.00 0.00 C ATOM 40 O CYS A 3 -2.441 9.025 -0.664 1.00 0.00 O ATOM 41 CB CYS A 3 0.835 7.682 -0.638 1.00 0.00 C ATOM 42 SG CYS A 3 2.511 8.350 -0.372 1.00 0.00 S ATOM 0 H CYS A 3 0.568 10.028 0.143 1.00 0.00 H new ATOM 0 HA CYS A 3 0.012 8.688 -2.352 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.432 7.355 0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.906 6.798 -1.272 1.00 0.00 H new ATOM 47 N HIS A 4 -1.823 6.917 -1.154 1.00 0.00 N ATOM 48 CA HIS A 4 -3.148 6.358 -0.924 1.00 0.00 C ATOM 49 C HIS A 4 -3.192 5.586 0.390 1.00 0.00 C ATOM 50 O HIS A 4 -2.168 5.394 1.045 1.00 0.00 O ATOM 51 CB HIS A 4 -3.545 5.440 -2.080 1.00 0.00 C ATOM 52 CG HIS A 4 -3.956 6.178 -3.316 1.00 0.00 C ATOM 53 ND1 HIS A 4 -5.028 7.045 -3.354 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.431 6.179 -4.565 1.00 0.00 C ATOM 55 CE1 HIS A 4 -5.146 7.544 -4.571 1.00 0.00 C ATOM 56 NE2 HIS A 4 -4.189 7.035 -5.325 1.00 0.00 N ATOM 0 H HIS A 4 -1.120 6.234 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.857 7.184 -0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.706 4.787 -2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.366 4.800 -1.759 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.635 7.266 -2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.575 5.612 -4.900 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.898 8.249 -4.895 1.00 0.00 H new ATOM 65 N ASN A 5 -4.387 5.146 0.770 1.00 0.00 N ATOM 66 CA ASN A 5 -4.571 4.393 2.005 1.00 0.00 C ATOM 67 C ASN A 5 -5.988 3.836 2.084 1.00 0.00 C ATOM 68 O ASN A 5 -6.740 4.143 3.010 1.00 0.00 O ATOM 69 CB ASN A 5 -4.287 5.283 3.217 1.00 0.00 C ATOM 70 CG ASN A 5 -5.210 6.484 3.281 1.00 0.00 C ATOM 71 OD1 ASN A 5 -6.182 6.575 2.532 1.00 0.00 O ATOM 72 ND2 ASN A 5 -4.909 7.415 4.179 1.00 0.00 N ATOM 0 H ASN A 5 -5.244 5.299 0.239 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.868 3.560 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.395 4.696 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.253 5.625 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.494 8.246 4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.093 7.299 4.780 1.00 0.00 H new ATOM 79 N GLN A 6 -6.348 3.017 1.100 1.00 0.00 N ATOM 80 CA GLN A 6 -7.678 2.421 1.050 1.00 0.00 C ATOM 81 C GLN A 6 -7.604 0.899 1.131 1.00 0.00 C ATOM 82 O GLN A 6 -6.861 0.263 0.385 1.00 0.00 O ATOM 83 CB GLN A 6 -8.393 2.838 -0.238 1.00 0.00 C ATOM 84 CG GLN A 6 -7.794 2.224 -1.494 1.00 0.00 C ATOM 85 CD GLN A 6 -7.975 3.102 -2.716 1.00 0.00 C ATOM 86 OE1 GLN A 6 -8.915 2.921 -3.491 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.073 4.060 -2.896 1.00 0.00 N ATOM 0 H GLN A 6 -5.737 2.751 0.327 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.241 2.782 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.443 2.553 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.363 3.924 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.731 2.045 -1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.257 1.254 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.310 4.174 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.143 4.682 -3.702 1.00 0.00 H new ATOM 96 N GLN A 7 -8.389 0.320 2.033 1.00 0.00 N ATOM 97 CA GLN A 7 -8.423 -1.122 2.204 1.00 0.00 C ATOM 98 C GLN A 7 -9.296 -1.765 1.132 1.00 0.00 C ATOM 99 O GLN A 7 -10.517 -1.610 1.140 1.00 0.00 O ATOM 100 CB GLN A 7 -8.954 -1.471 3.593 1.00 0.00 C ATOM 101 CG GLN A 7 -10.281 -0.806 3.926 1.00 0.00 C ATOM 102 CD GLN A 7 -10.224 0.003 5.207 1.00 0.00 C ATOM 103 OE1 GLN A 7 -9.753 -0.477 6.238 1.00 0.00 O ATOM 104 NE2 GLN A 7 -10.705 1.239 5.149 1.00 0.00 N ATOM 0 H GLN A 7 -9.011 0.832 2.658 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.409 -1.509 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.071 -2.552 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.214 -1.179 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.573 -0.155 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.053 -1.570 4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.086 1.597 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.693 1.830 5.980 1.00 0.00 H new ATOM 113 N SER A 8 -8.664 -2.479 0.207 1.00 0.00 N ATOM 114 CA SER A 8 -9.384 -3.139 -0.879 1.00 0.00 C ATOM 115 C SER A 8 -9.842 -2.118 -1.919 1.00 0.00 C ATOM 116 O SER A 8 -9.342 -0.994 -1.957 1.00 0.00 O ATOM 117 CB SER A 8 -10.586 -3.919 -0.334 1.00 0.00 C ATOM 118 OG SER A 8 -10.532 -5.280 -0.727 1.00 0.00 O ATOM 0 H SER A 8 -7.654 -2.616 0.186 1.00 0.00 H new ATOM 0 HA SER A 8 -8.704 -3.842 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.604 -3.852 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.510 -3.469 -0.697 1.00 0.00 H new ATOM 0 HG SER A 8 -11.309 -5.756 -0.365 1.00 0.00 H new ATOM 124 N SER A 9 -10.790 -2.515 -2.763 1.00 0.00 N ATOM 125 CA SER A 9 -11.308 -1.631 -3.802 1.00 0.00 C ATOM 126 C SER A 9 -11.865 -0.342 -3.200 1.00 0.00 C ATOM 127 O SER A 9 -11.185 0.684 -3.181 1.00 0.00 O ATOM 128 CB SER A 9 -12.393 -2.344 -4.612 1.00 0.00 C ATOM 129 OG SER A 9 -13.053 -1.444 -5.485 1.00 0.00 O ATOM 0 H SER A 9 -11.215 -3.442 -2.748 1.00 0.00 H new ATOM 0 HA SER A 9 -10.483 -1.369 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.947 -3.154 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.118 -2.796 -3.935 1.00 0.00 H new ATOM 0 HG SER A 9 -13.740 -1.925 -5.992 1.00 0.00 H new ATOM 135 N GLN A 10 -13.097 -0.413 -2.691 1.00 0.00 N ATOM 136 CA GLN A 10 -13.762 0.715 -2.071 1.00 0.00 C ATOM 137 C GLN A 10 -13.470 2.037 -2.781 1.00 0.00 C ATOM 138 O GLN A 10 -12.971 2.058 -3.906 1.00 0.00 O ATOM 139 CB GLN A 10 -13.362 0.787 -0.612 1.00 0.00 C ATOM 140 CG GLN A 10 -13.203 -0.562 0.036 1.00 0.00 C ATOM 141 CD GLN A 10 -13.437 -0.531 1.533 1.00 0.00 C ATOM 142 OE1 GLN A 10 -14.283 -1.256 2.056 1.00 0.00 O ATOM 143 NE2 GLN A 10 -12.688 0.313 2.231 1.00 0.00 N ATOM 0 H GLN A 10 -13.658 -1.265 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.837 0.558 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.423 1.334 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.113 1.357 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.901 -1.263 -0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.199 -0.938 -0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.998 0.896 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.802 0.379 3.242 1.00 0.00 H new ATOM 152 N ALA A 11 -13.802 3.137 -2.116 1.00 0.00 N ATOM 153 CA ALA A 11 -13.589 4.464 -2.675 1.00 0.00 C ATOM 154 C ALA A 11 -12.213 5.011 -2.296 1.00 0.00 C ATOM 155 O ALA A 11 -11.879 5.102 -1.114 1.00 0.00 O ATOM 156 CB ALA A 11 -14.682 5.413 -2.204 1.00 0.00 C ATOM 0 H ALA A 11 -14.221 3.135 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.630 4.384 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.512 6.403 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.653 5.040 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.664 5.477 -1.116 1.00 0.00 H new ATOM 162 N PRO A 12 -11.396 5.385 -3.298 1.00 0.00 N ATOM 163 CA PRO A 12 -10.051 5.927 -3.075 1.00 0.00 C ATOM 164 C PRO A 12 -9.985 6.904 -1.905 1.00 0.00 C ATOM 165 O PRO A 12 -11.006 7.434 -1.466 1.00 0.00 O ATOM 166 CB PRO A 12 -9.768 6.643 -4.388 1.00 0.00 C ATOM 167 CG PRO A 12 -10.449 5.794 -5.398 1.00 0.00 C ATOM 168 CD PRO A 12 -11.714 5.309 -4.737 1.00 0.00 C ATOM 0 HA PRO A 12 -9.331 5.151 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.163 7.659 -4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.698 6.718 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.672 6.362 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.817 4.957 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.568 5.936 -4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.962 4.292 -5.041 1.00 0.00 H new ATOM 176 N THR A 13 -8.775 7.140 -1.406 1.00 0.00 N ATOM 177 CA THR A 13 -8.571 8.055 -0.288 1.00 0.00 C ATOM 178 C THR A 13 -7.128 8.545 -0.246 1.00 0.00 C ATOM 179 O THR A 13 -6.223 7.806 0.140 1.00 0.00 O ATOM 180 CB THR A 13 -8.932 7.371 1.031 1.00 0.00 C ATOM 181 OG1 THR A 13 -8.820 5.964 0.914 1.00 0.00 O ATOM 182 CG2 THR A 13 -10.336 7.682 1.503 1.00 0.00 C ATOM 0 H THR A 13 -7.920 6.710 -1.759 1.00 0.00 H new ATOM 0 HA THR A 13 -9.224 8.916 -0.430 1.00 0.00 H new ATOM 0 HB THR A 13 -8.225 7.764 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.989 5.665 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.527 7.165 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.440 8.757 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.054 7.348 0.754 1.00 0.00 H new ATOM 190 N THR A 14 -6.919 9.795 -0.645 1.00 0.00 N ATOM 191 CA THR A 14 -5.585 10.383 -0.652 1.00 0.00 C ATOM 192 C THR A 14 -5.340 11.197 0.615 1.00 0.00 C ATOM 193 O THR A 14 -6.228 11.902 1.092 1.00 0.00 O ATOM 194 CB THR A 14 -5.402 11.271 -1.884 1.00 0.00 C ATOM 195 OG1 THR A 14 -6.494 12.163 -2.025 1.00 0.00 O ATOM 196 CG2 THR A 14 -5.280 10.488 -3.174 1.00 0.00 C ATOM 0 H THR A 14 -7.657 10.421 -0.968 1.00 0.00 H new ATOM 0 HA THR A 14 -4.859 9.570 -0.686 1.00 0.00 H new ATOM 0 HB THR A 14 -4.470 11.810 -1.716 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.358 12.724 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.153 11.178 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.417 9.825 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.183 9.897 -3.327 1.00 0.00 H new ATOM 204 N LYS A 15 -4.129 11.094 1.151 1.00 0.00 N ATOM 205 CA LYS A 15 -3.764 11.821 2.361 1.00 0.00 C ATOM 206 C LYS A 15 -2.249 11.935 2.492 1.00 0.00 C ATOM 207 O LYS A 15 -1.506 11.149 1.904 1.00 0.00 O ATOM 208 CB LYS A 15 -4.346 11.126 3.595 1.00 0.00 C ATOM 209 CG LYS A 15 -4.911 12.089 4.626 1.00 0.00 C ATOM 210 CD LYS A 15 -3.928 12.333 5.760 1.00 0.00 C ATOM 211 CE LYS A 15 -3.877 11.151 6.716 1.00 0.00 C ATOM 212 NZ LYS A 15 -5.107 11.057 7.549 1.00 0.00 N ATOM 0 H LYS A 15 -3.383 10.514 0.767 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.180 12.826 2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.134 10.442 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.568 10.522 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.155 13.036 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.841 11.687 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.935 12.514 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.216 13.232 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.752 10.229 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.006 11.246 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.948 10.387 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.335 11.994 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.899 10.724 6.963 1.00 0.00 H new ATOM 226 N THR A 16 -1.797 12.919 3.264 1.00 0.00 N ATOM 227 CA THR A 16 -0.369 13.134 3.468 1.00 0.00 C ATOM 228 C THR A 16 0.090 12.528 4.791 1.00 0.00 C ATOM 229 O THR A 16 -0.673 12.469 5.756 1.00 0.00 O ATOM 230 CB THR A 16 -0.049 14.628 3.441 1.00 0.00 C ATOM 231 OG1 THR A 16 -0.919 15.311 2.556 1.00 0.00 O ATOM 232 CG2 THR A 16 1.371 14.929 3.011 1.00 0.00 C ATOM 0 H THR A 16 -2.398 13.579 3.758 1.00 0.00 H new ATOM 0 HA THR A 16 0.167 12.639 2.658 1.00 0.00 H new ATOM 0 HB THR A 16 -0.181 14.970 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.700 16.266 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.531 16.007 3.014 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.068 14.457 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.537 14.540 2.006 1.00 0.00 H new ATOM 240 N CYS A 17 1.340 12.079 4.828 1.00 0.00 N ATOM 241 CA CYS A 17 1.900 11.479 6.033 1.00 0.00 C ATOM 242 C CYS A 17 2.530 12.542 6.926 1.00 0.00 C ATOM 243 O CYS A 17 2.505 13.730 6.606 1.00 0.00 O ATOM 244 CB CYS A 17 2.943 10.421 5.665 1.00 0.00 C ATOM 245 SG CYS A 17 2.268 8.999 4.748 1.00 0.00 S ATOM 0 H CYS A 17 1.984 12.119 4.038 1.00 0.00 H new ATOM 0 HA CYS A 17 1.088 11.002 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.724 10.889 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.416 10.060 6.578 1.00 0.00 H new ATOM 250 N SER A 18 3.094 12.107 8.049 1.00 0.00 N ATOM 251 CA SER A 18 3.731 13.024 8.988 1.00 0.00 C ATOM 252 C SER A 18 4.873 13.784 8.321 1.00 0.00 C ATOM 253 O SER A 18 4.816 15.004 8.175 1.00 0.00 O ATOM 254 CB SER A 18 4.251 12.257 10.206 1.00 0.00 C ATOM 255 OG SER A 18 4.400 10.878 9.919 1.00 0.00 O ATOM 0 H SER A 18 3.123 11.127 8.330 1.00 0.00 H new ATOM 0 HA SER A 18 2.984 13.748 9.315 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.210 12.672 10.518 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.562 12.385 11.041 1.00 0.00 H new ATOM 0 HG SER A 18 3.556 10.413 10.100 1.00 0.00 H new ATOM 261 N GLY A 19 5.909 13.054 7.917 1.00 0.00 N ATOM 262 CA GLY A 19 7.047 13.679 7.270 1.00 0.00 C ATOM 263 C GLY A 19 7.909 12.679 6.525 1.00 0.00 C ATOM 264 O GLY A 19 9.116 12.875 6.380 1.00 0.00 O ATOM 0 H GLY A 19 5.980 12.042 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.693 14.439 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.652 14.189 8.019 1.00 0.00 H new ATOM 268 N GLU A 20 7.289 11.603 6.049 1.00 0.00 N ATOM 269 CA GLU A 20 8.009 10.570 5.314 1.00 0.00 C ATOM 270 C GLU A 20 8.477 11.094 3.961 1.00 0.00 C ATOM 271 O GLU A 20 8.268 12.260 3.629 1.00 0.00 O ATOM 272 CB GLU A 20 7.120 9.340 5.118 1.00 0.00 C ATOM 273 CG GLU A 20 7.198 8.346 6.266 1.00 0.00 C ATOM 274 CD GLU A 20 7.928 7.072 5.885 1.00 0.00 C ATOM 275 OE1 GLU A 20 7.895 6.702 4.693 1.00 0.00 O ATOM 276 OE2 GLU A 20 8.531 6.443 6.780 1.00 0.00 O ATOM 0 H GLU A 20 6.291 11.425 6.159 1.00 0.00 H new ATOM 0 HA GLU A 20 8.885 10.287 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.086 9.664 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.406 8.838 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.704 8.812 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.189 8.098 6.596 1.00 0.00 H new ATOM 283 N THR A 21 9.114 10.223 3.184 1.00 0.00 N ATOM 284 CA THR A 21 9.614 10.600 1.866 1.00 0.00 C ATOM 285 C THR A 21 9.110 9.643 0.792 1.00 0.00 C ATOM 286 O THR A 21 8.743 10.064 -0.306 1.00 0.00 O ATOM 287 CB THR A 21 11.143 10.627 1.865 1.00 0.00 C ATOM 288 OG1 THR A 21 11.662 9.670 2.772 1.00 0.00 O ATOM 289 CG2 THR A 21 11.720 11.975 2.239 1.00 0.00 C ATOM 0 H THR A 21 9.296 9.253 3.443 1.00 0.00 H new ATOM 0 HA THR A 21 9.239 11.598 1.639 1.00 0.00 H new ATOM 0 HB THR A 21 11.434 10.399 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.641 9.701 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.809 11.923 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.379 12.727 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.389 12.247 3.241 1.00 0.00 H new ATOM 297 N ASN A 22 9.100 8.354 1.112 1.00 0.00 N ATOM 298 CA ASN A 22 8.645 7.336 0.169 1.00 0.00 C ATOM 299 C ASN A 22 7.446 6.572 0.721 1.00 0.00 C ATOM 300 O ASN A 22 7.231 6.519 1.932 1.00 0.00 O ATOM 301 CB ASN A 22 9.776 6.352 -0.164 1.00 0.00 C ATOM 302 CG ASN A 22 11.115 6.764 0.421 1.00 0.00 C ATOM 303 OD1 ASN A 22 11.846 7.559 -0.169 1.00 0.00 O ATOM 304 ND2 ASN A 22 11.442 6.220 1.588 1.00 0.00 N ATOM 0 H ASN A 22 9.401 7.988 2.015 1.00 0.00 H new ATOM 0 HA ASN A 22 8.343 7.849 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.511 5.363 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.870 6.268 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.330 6.457 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.805 5.565 2.042 1.00 0.00 H new ATOM 311 N CYS A 23 6.674 5.976 -0.181 1.00 0.00 N ATOM 312 CA CYS A 23 5.501 5.202 0.194 1.00 0.00 C ATOM 313 C CYS A 23 5.629 3.777 -0.328 1.00 0.00 C ATOM 314 O CYS A 23 6.681 3.394 -0.841 1.00 0.00 O ATOM 315 CB CYS A 23 4.239 5.859 -0.365 1.00 0.00 C ATOM 316 SG CYS A 23 3.394 6.961 0.814 1.00 0.00 S ATOM 0 H CYS A 23 6.844 6.016 -1.186 1.00 0.00 H new ATOM 0 HA CYS A 23 5.428 5.172 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.503 6.430 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.545 5.080 -0.680 1.00 0.00 H new ATOM 321 N TYR A 24 4.568 2.991 -0.200 1.00 0.00 N ATOM 322 CA TYR A 24 4.599 1.613 -0.671 1.00 0.00 C ATOM 323 C TYR A 24 3.199 1.052 -0.878 1.00 0.00 C ATOM 324 O TYR A 24 2.198 1.730 -0.646 1.00 0.00 O ATOM 325 CB TYR A 24 5.364 0.728 0.314 1.00 0.00 C ATOM 326 CG TYR A 24 4.724 0.648 1.681 1.00 0.00 C ATOM 327 CD1 TYR A 24 3.593 -0.131 1.897 1.00 0.00 C ATOM 328 CD2 TYR A 24 5.250 1.350 2.758 1.00 0.00 C ATOM 329 CE1 TYR A 24 3.006 -0.207 3.145 1.00 0.00 C ATOM 330 CE2 TYR A 24 4.670 1.277 4.011 1.00 0.00 C ATOM 331 CZ TYR A 24 3.548 0.498 4.199 1.00 0.00 C ATOM 332 OH TYR A 24 2.967 0.424 5.442 1.00 0.00 O ATOM 0 H TYR A 24 3.685 3.280 0.221 1.00 0.00 H new ATOM 0 HA TYR A 24 5.109 1.614 -1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.443 -0.277 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.379 1.110 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.166 -0.686 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.127 1.963 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.127 -0.816 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.094 1.827 4.838 1.00 0.00 H new ATOM 0 HH TYR A 24 3.472 0.979 6.073 1.00 0.00 H new ATOM 342 N LYS A 25 3.152 -0.201 -1.308 1.00 0.00 N ATOM 343 CA LYS A 25 1.895 -0.895 -1.549 1.00 0.00 C ATOM 344 C LYS A 25 2.124 -2.399 -1.549 1.00 0.00 C ATOM 345 O LYS A 25 2.995 -2.902 -2.257 1.00 0.00 O ATOM 346 CB LYS A 25 1.282 -0.464 -2.882 1.00 0.00 C ATOM 347 CG LYS A 25 -0.225 -0.645 -2.940 1.00 0.00 C ATOM 348 CD LYS A 25 -0.737 -0.605 -4.371 1.00 0.00 C ATOM 349 CE LYS A 25 -1.899 -1.565 -4.574 1.00 0.00 C ATOM 350 NZ LYS A 25 -2.105 -1.891 -6.013 1.00 0.00 N ATOM 0 H LYS A 25 3.981 -0.763 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 25 1.201 -0.635 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.522 0.584 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.741 -1.038 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.496 -1.596 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.709 0.139 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.054 0.409 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.072 -0.861 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.713 -2.483 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.809 -1.124 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.895 -2.561 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.324 -1.021 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.240 -2.320 -6.399 1.00 0.00 H new ATOM 364 N LYS A 26 1.344 -3.115 -0.751 1.00 0.00 N ATOM 365 CA LYS A 26 1.479 -4.562 -0.670 1.00 0.00 C ATOM 366 C LYS A 26 0.173 -5.259 -0.991 1.00 0.00 C ATOM 367 O LYS A 26 -0.903 -4.684 -0.853 1.00 0.00 O ATOM 368 CB LYS A 26 1.954 -4.993 0.717 1.00 0.00 C ATOM 369 CG LYS A 26 1.335 -4.214 1.867 1.00 0.00 C ATOM 370 CD LYS A 26 2.400 -3.577 2.745 1.00 0.00 C ATOM 371 CE LYS A 26 2.010 -3.619 4.214 1.00 0.00 C ATOM 372 NZ LYS A 26 1.119 -2.485 4.586 1.00 0.00 N ATOM 0 H LYS A 26 0.616 -2.721 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 26 2.224 -4.853 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.731 -6.052 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.038 -4.887 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.677 -3.440 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.717 -4.881 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.348 -4.097 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.555 -2.543 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.506 -4.562 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.909 -3.591 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.323 -2.841 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.656 -1.789 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.755 -2.032 3.723 1.00 0.00 H new ATOM 386 N TRP A 27 0.280 -6.507 -1.412 1.00 0.00 N ATOM 387 CA TRP A 27 -0.893 -7.300 -1.742 1.00 0.00 C ATOM 388 C TRP A 27 -0.572 -8.785 -1.729 1.00 0.00 C ATOM 389 O TRP A 27 0.593 -9.183 -1.718 1.00 0.00 O ATOM 390 CB TRP A 27 -1.462 -6.914 -3.105 1.00 0.00 C ATOM 391 CG TRP A 27 -0.466 -6.928 -4.203 1.00 0.00 C ATOM 392 CD1 TRP A 27 -0.291 -7.927 -5.087 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.469 -5.899 -4.553 1.00 0.00 C ATOM 394 NE1 TRP A 27 0.703 -7.609 -5.970 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.190 -6.366 -5.664 1.00 0.00 C ATOM 396 CE3 TRP A 27 0.775 -4.634 -4.037 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.195 -5.619 -6.273 1.00 0.00 C ATOM 398 CZ3 TRP A 27 1.771 -3.892 -4.642 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.471 -4.387 -5.749 1.00 0.00 C ATOM 0 H TRP A 27 1.168 -6.994 -1.534 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.643 -7.092 -0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.272 -7.599 -3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.897 -5.917 -3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.855 -8.848 -5.098 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.029 -8.202 -6.733 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.242 -4.245 -3.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.736 -5.999 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.014 -2.914 -4.255 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.245 -3.783 -6.198 1.00 0.00 H new ATOM 410 N TRP A 28 -1.619 -9.595 -1.732 1.00 0.00 N ATOM 411 CA TRP A 28 -1.459 -11.043 -1.724 1.00 0.00 C ATOM 412 C TRP A 28 -2.716 -11.731 -2.242 1.00 0.00 C ATOM 413 O TRP A 28 -3.733 -11.085 -2.494 1.00 0.00 O ATOM 414 CB TRP A 28 -1.153 -11.526 -0.311 1.00 0.00 C ATOM 415 CG TRP A 28 -2.087 -10.971 0.701 1.00 0.00 C ATOM 416 CD1 TRP A 28 -3.233 -11.544 1.140 1.00 0.00 C ATOM 417 CD2 TRP A 28 -1.955 -9.727 1.399 1.00 0.00 C ATOM 418 NE1 TRP A 28 -3.826 -10.739 2.070 1.00 0.00 N ATOM 419 CE2 TRP A 28 -3.063 -9.619 2.251 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.009 -8.697 1.389 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.259 -8.524 3.088 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.201 -7.610 2.221 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.319 -7.531 3.062 1.00 0.00 C ATOM 0 H TRP A 28 -2.588 -9.276 -1.740 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.628 -11.298 -2.382 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.202 -12.615 -0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.133 -11.246 -0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.620 -12.495 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.701 -10.941 2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.145 -8.750 0.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.122 -8.461 3.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.477 -6.808 2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.441 -6.670 3.702 1.00 0.00 H new ATOM 434 N SER A 29 -2.636 -13.048 -2.392 1.00 0.00 N ATOM 435 CA SER A 29 -3.765 -13.833 -2.877 1.00 0.00 C ATOM 436 C SER A 29 -4.017 -15.038 -1.977 1.00 0.00 C ATOM 437 O SER A 29 -3.318 -16.048 -2.065 1.00 0.00 O ATOM 438 CB SER A 29 -3.511 -14.299 -4.312 1.00 0.00 C ATOM 439 OG SER A 29 -3.229 -13.199 -5.162 1.00 0.00 O ATOM 0 H SER A 29 -1.800 -13.595 -2.185 1.00 0.00 H new ATOM 0 HA SER A 29 -4.650 -13.197 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.676 -14.999 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.384 -14.836 -4.684 1.00 0.00 H new ATOM 0 HG SER A 29 -3.069 -13.522 -6.073 1.00 0.00 H new ATOM 445 N ASP A 30 -5.018 -14.926 -1.110 1.00 0.00 N ATOM 446 CA ASP A 30 -5.361 -16.005 -0.193 1.00 0.00 C ATOM 447 C ASP A 30 -6.585 -16.773 -0.688 1.00 0.00 C ATOM 448 O ASP A 30 -6.954 -16.682 -1.858 1.00 0.00 O ATOM 449 CB ASP A 30 -5.620 -15.448 1.208 1.00 0.00 C ATOM 450 CG ASP A 30 -5.047 -16.334 2.298 1.00 0.00 C ATOM 451 OD1 ASP A 30 -3.807 -16.378 2.436 1.00 0.00 O ATOM 452 OD2 ASP A 30 -5.840 -16.985 3.011 1.00 0.00 O ATOM 0 H ASP A 30 -5.606 -14.097 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.518 -16.695 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.184 -14.452 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.694 -15.339 1.360 1.00 0.00 H new ATOM 457 N HIS A 31 -7.208 -17.530 0.211 1.00 0.00 N ATOM 458 CA HIS A 31 -8.389 -18.312 -0.137 1.00 0.00 C ATOM 459 C HIS A 31 -9.586 -17.405 -0.402 1.00 0.00 C ATOM 460 O HIS A 31 -10.395 -17.669 -1.290 1.00 0.00 O ATOM 461 CB HIS A 31 -8.721 -19.304 0.980 1.00 0.00 C ATOM 462 CG HIS A 31 -8.704 -18.696 2.347 1.00 0.00 C ATOM 463 ND1 HIS A 31 -7.764 -19.020 3.304 1.00 0.00 N ATOM 464 CD2 HIS A 31 -9.518 -17.777 2.919 1.00 0.00 C ATOM 465 CE1 HIS A 31 -8.002 -18.328 4.404 1.00 0.00 C ATOM 466 NE2 HIS A 31 -9.060 -17.567 4.196 1.00 0.00 N ATOM 0 H HIS A 31 -6.915 -17.618 1.184 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.168 -18.866 -1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.706 -19.731 0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.006 -20.126 0.948 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.004 -19.689 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.369 -17.299 2.457 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.428 -18.377 5.318 1.00 0.00 H new ATOM 475 N ARG A 32 -9.691 -16.331 0.376 1.00 0.00 N ATOM 476 CA ARG A 32 -10.788 -15.382 0.225 1.00 0.00 C ATOM 477 C ARG A 32 -10.673 -14.626 -1.096 1.00 0.00 C ATOM 478 O ARG A 32 -11.678 -14.214 -1.676 1.00 0.00 O ATOM 479 CB ARG A 32 -10.799 -14.395 1.393 1.00 0.00 C ATOM 480 CG ARG A 32 -11.755 -14.783 2.509 1.00 0.00 C ATOM 481 CD ARG A 32 -11.386 -14.106 3.820 1.00 0.00 C ATOM 482 NE ARG A 32 -11.487 -15.020 4.955 1.00 0.00 N ATOM 483 CZ ARG A 32 -12.636 -15.346 5.544 1.00 0.00 C ATOM 484 NH1 ARG A 32 -13.781 -14.837 5.109 1.00 0.00 N ATOM 485 NH2 ARG A 32 -12.638 -16.184 6.572 1.00 0.00 N ATOM 0 H ARG A 32 -9.030 -16.097 1.117 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.724 -15.941 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.791 -14.316 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.070 -13.407 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.772 -14.508 2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.742 -15.865 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.369 -13.720 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.042 -13.251 3.984 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.627 -15.433 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.785 -14.192 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.658 -15.091 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.760 -16.578 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.517 -16.435 7.024 1.00 0.00 H new ATOM 499 N GLY A 33 -9.443 -14.445 -1.563 1.00 0.00 N ATOM 500 CA GLY A 33 -9.217 -13.737 -2.810 1.00 0.00 C ATOM 501 C GLY A 33 -7.893 -12.999 -2.822 1.00 0.00 C ATOM 502 O GLY A 33 -6.830 -13.619 -2.829 1.00 0.00 O ATOM 0 H GLY A 33 -8.597 -14.776 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.242 -14.446 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.028 -13.027 -2.974 1.00 0.00 H new ATOM 506 N THR A 34 -7.957 -11.672 -2.822 1.00 0.00 N ATOM 507 CA THR A 34 -6.753 -10.848 -2.831 1.00 0.00 C ATOM 508 C THR A 34 -6.964 -9.571 -2.023 1.00 0.00 C ATOM 509 O THR A 34 -8.078 -9.054 -1.939 1.00 0.00 O ATOM 510 CB THR A 34 -6.352 -10.504 -4.270 1.00 0.00 C ATOM 511 OG1 THR A 34 -5.021 -10.024 -4.317 1.00 0.00 O ATOM 512 CG2 THR A 34 -7.237 -9.458 -4.913 1.00 0.00 C ATOM 0 H THR A 34 -8.829 -11.144 -2.816 1.00 0.00 H new ATOM 0 HA THR A 34 -5.947 -11.418 -2.368 1.00 0.00 H new ATOM 0 HB THR A 34 -6.461 -11.435 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.611 -10.109 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.893 -9.266 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.265 -9.818 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.190 -8.536 -4.334 1.00 0.00 H new ATOM 520 N ILE A 35 -5.887 -9.066 -1.431 1.00 0.00 N ATOM 521 CA ILE A 35 -5.956 -7.847 -0.633 1.00 0.00 C ATOM 522 C ILE A 35 -4.784 -6.924 -0.942 1.00 0.00 C ATOM 523 O ILE A 35 -3.724 -7.379 -1.367 1.00 0.00 O ATOM 524 CB ILE A 35 -5.966 -8.159 0.876 1.00 0.00 C ATOM 525 CG1 ILE A 35 -6.985 -9.258 1.186 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.275 -6.901 1.675 1.00 0.00 C ATOM 527 CD1 ILE A 35 -6.951 -9.724 2.625 1.00 0.00 C ATOM 0 H ILE A 35 -4.957 -9.481 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.889 -7.349 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.977 -8.516 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.985 -8.891 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.799 -10.110 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.279 -7.137 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.515 -6.146 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.253 -6.517 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.699 -10.503 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.963 -10.121 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.167 -8.884 3.285 1.00 0.00 H new ATOM 539 N ILE A 36 -4.982 -5.626 -0.726 1.00 0.00 N ATOM 540 CA ILE A 36 -3.939 -4.639 -0.985 1.00 0.00 C ATOM 541 C ILE A 36 -3.936 -3.546 0.086 1.00 0.00 C ATOM 542 O ILE A 36 -4.977 -2.959 0.379 1.00 0.00 O ATOM 543 CB ILE A 36 -4.122 -3.981 -2.372 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.422 -3.172 -2.416 1.00 0.00 C ATOM 545 CG2 ILE A 36 -4.114 -5.038 -3.470 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.724 -2.580 -3.777 1.00 0.00 C ATOM 0 H ILE A 36 -5.855 -5.234 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.987 -5.170 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.287 -3.301 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.250 -3.815 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.363 -2.367 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.244 -4.557 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.164 -5.572 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.929 -5.743 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.659 -2.021 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.915 -1.911 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.816 -3.381 -4.510 1.00 0.00 H new ATOM 558 N GLU A 37 -2.768 -3.269 0.668 1.00 0.00 N ATOM 559 CA GLU A 37 -2.661 -2.240 1.697 1.00 0.00 C ATOM 560 C GLU A 37 -1.612 -1.196 1.329 1.00 0.00 C ATOM 561 O GLU A 37 -0.786 -1.415 0.442 1.00 0.00 O ATOM 562 CB GLU A 37 -2.337 -2.864 3.057 1.00 0.00 C ATOM 563 CG GLU A 37 -1.757 -4.262 2.967 1.00 0.00 C ATOM 564 CD GLU A 37 -1.011 -4.673 4.222 1.00 0.00 C ATOM 565 OE1 GLU A 37 -1.048 -3.911 5.212 1.00 0.00 O ATOM 566 OE2 GLU A 37 -0.389 -5.756 4.215 1.00 0.00 O ATOM 0 H GLU A 37 -1.891 -3.740 0.445 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.627 -1.739 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.631 -2.221 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.246 -2.896 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.562 -4.973 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.080 -4.315 2.114 1.00 0.00 H new ATOM 573 N ARG A 38 -1.656 -0.058 2.014 1.00 0.00 N ATOM 574 CA ARG A 38 -0.718 1.030 1.760 1.00 0.00 C ATOM 575 C ARG A 38 -0.150 1.581 3.066 1.00 0.00 C ATOM 576 O ARG A 38 -0.569 1.182 4.152 1.00 0.00 O ATOM 577 CB ARG A 38 -1.412 2.150 0.982 1.00 0.00 C ATOM 578 CG ARG A 38 -1.930 1.715 -0.380 1.00 0.00 C ATOM 579 CD ARG A 38 -3.366 2.162 -0.603 1.00 0.00 C ATOM 580 NE ARG A 38 -3.758 2.064 -2.006 1.00 0.00 N ATOM 581 CZ ARG A 38 -3.974 0.912 -2.638 1.00 0.00 C ATOM 582 NH1 ARG A 38 -3.836 -0.241 -1.994 1.00 0.00 N ATOM 583 NH2 ARG A 38 -4.328 0.912 -3.916 1.00 0.00 N ATOM 0 H ARG A 38 -2.333 0.135 2.752 1.00 0.00 H new ATOM 0 HA ARG A 38 0.107 0.635 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.245 2.530 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.713 2.976 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.294 2.131 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.869 0.630 -0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.034 1.551 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.482 3.192 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.873 2.929 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.564 -0.247 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.003 -1.121 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.435 1.795 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.493 0.029 -4.399 1.00 0.00 H new ATOM 597 N GLY A 39 0.804 2.502 2.951 1.00 0.00 N ATOM 598 CA GLY A 39 1.410 3.093 4.130 1.00 0.00 C ATOM 599 C GLY A 39 2.366 4.220 3.789 1.00 0.00 C ATOM 600 O GLY A 39 2.105 5.012 2.883 1.00 0.00 O ATOM 0 H GLY A 39 1.167 2.848 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.626 3.472 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.945 2.322 4.685 1.00 0.00 H new ATOM 604 N CYS A 40 3.478 4.293 4.515 1.00 0.00 N ATOM 605 CA CYS A 40 4.477 5.332 4.284 1.00 0.00 C ATOM 606 C CYS A 40 5.866 4.854 4.699 1.00 0.00 C ATOM 607 O CYS A 40 6.229 4.915 5.873 1.00 0.00 O ATOM 608 CB CYS A 40 4.107 6.603 5.053 1.00 0.00 C ATOM 609 SG CYS A 40 3.916 8.078 3.999 1.00 0.00 S ATOM 0 H CYS A 40 3.710 3.645 5.268 1.00 0.00 H new ATOM 0 HA CYS A 40 4.495 5.555 3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.175 6.431 5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.876 6.800 5.800 1.00 0.00 H new ATOM 614 N GLY A 41 6.635 4.378 3.725 1.00 0.00 N ATOM 615 CA GLY A 41 7.975 3.896 4.004 1.00 0.00 C ATOM 616 C GLY A 41 8.417 2.830 3.022 1.00 0.00 C ATOM 617 O GLY A 41 8.018 2.847 1.857 1.00 0.00 O ATOM 0 H GLY A 41 6.354 4.317 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.674 4.732 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.011 3.492 5.016 1.00 0.00 H new ATOM 621 N CYS A 42 9.241 1.899 3.489 1.00 0.00 N ATOM 622 CA CYS A 42 9.731 0.821 2.640 1.00 0.00 C ATOM 623 C CYS A 42 10.239 -0.351 3.479 1.00 0.00 C ATOM 624 O CYS A 42 11.445 -0.571 3.588 1.00 0.00 O ATOM 625 CB CYS A 42 10.843 1.330 1.721 1.00 0.00 C ATOM 626 SG CYS A 42 11.289 0.174 0.385 1.00 0.00 S ATOM 0 H CYS A 42 9.583 1.869 4.449 1.00 0.00 H new ATOM 0 HA CYS A 42 8.899 0.469 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.530 2.276 1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.730 1.536 2.320 1.00 0.00 H new ATOM 631 N PRO A 43 9.319 -1.121 4.083 1.00 0.00 N ATOM 632 CA PRO A 43 9.676 -2.271 4.914 1.00 0.00 C ATOM 633 C PRO A 43 10.010 -3.504 4.082 1.00 0.00 C ATOM 634 O PRO A 43 10.174 -3.417 2.865 1.00 0.00 O ATOM 635 CB PRO A 43 8.409 -2.505 5.733 1.00 0.00 C ATOM 636 CG PRO A 43 7.302 -2.055 4.843 1.00 0.00 C ATOM 637 CD PRO A 43 7.856 -0.928 4.009 1.00 0.00 C ATOM 0 HA PRO A 43 10.566 -2.088 5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.299 -3.555 6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.427 -1.937 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.956 -2.872 4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.445 -1.720 5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.497 -0.978 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.560 0.044 4.403 1.00 0.00 H new ATOM 645 N LYS A 44 10.110 -4.652 4.745 1.00 0.00 N ATOM 646 CA LYS A 44 10.426 -5.902 4.064 1.00 0.00 C ATOM 647 C LYS A 44 9.157 -6.590 3.572 1.00 0.00 C ATOM 648 O LYS A 44 8.057 -6.050 3.699 1.00 0.00 O ATOM 649 CB LYS A 44 11.196 -6.836 5.000 1.00 0.00 C ATOM 650 CG LYS A 44 12.475 -6.228 5.549 1.00 0.00 C ATOM 651 CD LYS A 44 12.756 -6.705 6.967 1.00 0.00 C ATOM 652 CE LYS A 44 14.200 -7.150 7.131 1.00 0.00 C ATOM 653 NZ LYS A 44 15.158 -6.055 6.809 1.00 0.00 N ATOM 0 H LYS A 44 9.977 -4.742 5.752 1.00 0.00 H new ATOM 0 HA LYS A 44 11.049 -5.669 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.550 -7.116 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.440 -7.753 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.312 -6.493 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.396 -5.141 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.540 -5.902 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.090 -7.532 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.363 -7.485 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.393 -8.004 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.106 -6.310 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.190 -5.914 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.848 -5.176 7.269 1.00 0.00 H new ATOM 667 N VAL A 45 9.316 -7.783 3.008 1.00 0.00 N ATOM 668 CA VAL A 45 8.182 -8.544 2.497 1.00 0.00 C ATOM 669 C VAL A 45 7.881 -9.749 3.380 1.00 0.00 C ATOM 670 O VAL A 45 8.779 -10.315 4.003 1.00 0.00 O ATOM 671 CB VAL A 45 8.432 -9.030 1.057 1.00 0.00 C ATOM 672 CG1 VAL A 45 8.582 -7.851 0.109 1.00 0.00 C ATOM 673 CG2 VAL A 45 9.659 -9.928 1.002 1.00 0.00 C ATOM 0 H VAL A 45 10.219 -8.243 2.893 1.00 0.00 H new ATOM 0 HA VAL A 45 7.325 -7.870 2.503 1.00 0.00 H new ATOM 0 HB VAL A 45 7.568 -9.613 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.758 -8.217 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.671 -7.253 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.425 -7.236 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.820 -10.262 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.532 -9.372 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.505 -10.794 1.646 1.00 0.00 H new ATOM 683 N LYS A 46 6.611 -10.136 3.427 1.00 0.00 N ATOM 684 CA LYS A 46 6.187 -11.267 4.225 1.00 0.00 C ATOM 685 C LYS A 46 6.208 -12.556 3.403 1.00 0.00 C ATOM 686 O LYS A 46 5.779 -12.569 2.251 1.00 0.00 O ATOM 687 CB LYS A 46 4.786 -11.027 4.789 1.00 0.00 C ATOM 688 CG LYS A 46 4.783 -10.288 6.118 1.00 0.00 C ATOM 689 CD LYS A 46 5.146 -11.213 7.270 1.00 0.00 C ATOM 690 CE LYS A 46 4.162 -12.366 7.391 1.00 0.00 C ATOM 691 NZ LYS A 46 3.853 -12.684 8.813 1.00 0.00 N ATOM 0 H LYS A 46 5.857 -9.676 2.916 1.00 0.00 H new ATOM 0 HA LYS A 46 6.888 -11.376 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.205 -10.457 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.285 -11.987 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.491 -9.460 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.798 -9.856 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.152 -11.606 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.161 -10.647 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.240 -12.114 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.575 -13.249 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.179 -13.475 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.729 -12.950 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.435 -11.850 9.272 1.00 0.00 H new ATOM 705 N PRO A 47 6.721 -13.658 3.982 1.00 0.00 N ATOM 706 CA PRO A 47 6.809 -14.946 3.303 1.00 0.00 C ATOM 707 C PRO A 47 5.577 -15.260 2.452 1.00 0.00 C ATOM 708 O PRO A 47 4.587 -15.796 2.953 1.00 0.00 O ATOM 709 CB PRO A 47 6.917 -15.949 4.453 1.00 0.00 C ATOM 710 CG PRO A 47 7.330 -15.190 5.663 1.00 0.00 C ATOM 711 CD PRO A 47 7.274 -13.726 5.340 1.00 0.00 C ATOM 0 HA PRO A 47 7.647 -14.969 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.962 -16.448 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.645 -16.725 4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.670 -15.420 6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.338 -15.474 5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.645 -13.189 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.265 -13.273 5.386 1.00 0.00 H new ATOM 719 N GLY A 48 5.647 -14.933 1.164 1.00 0.00 N ATOM 720 CA GLY A 48 4.533 -15.200 0.269 1.00 0.00 C ATOM 721 C GLY A 48 3.792 -13.942 -0.137 1.00 0.00 C ATOM 722 O GLY A 48 3.201 -13.882 -1.216 1.00 0.00 O ATOM 0 H GLY A 48 6.453 -14.489 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.903 -15.703 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.838 -15.885 0.755 1.00 0.00 H new ATOM 726 N VAL A 49 3.820 -12.936 0.727 1.00 0.00 N ATOM 727 CA VAL A 49 3.146 -11.673 0.457 1.00 0.00 C ATOM 728 C VAL A 49 3.976 -10.793 -0.471 1.00 0.00 C ATOM 729 O VAL A 49 5.206 -10.864 -0.475 1.00 0.00 O ATOM 730 CB VAL A 49 2.868 -10.901 1.760 1.00 0.00 C ATOM 731 CG1 VAL A 49 2.017 -9.672 1.484 1.00 0.00 C ATOM 732 CG2 VAL A 49 2.196 -11.805 2.782 1.00 0.00 C ATOM 0 H VAL A 49 4.304 -12.971 1.624 1.00 0.00 H new ATOM 0 HA VAL A 49 2.200 -11.915 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 49 3.820 -10.568 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.832 -9.141 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.541 -9.015 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.067 -9.978 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.007 -11.243 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.251 -12.171 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.847 -12.650 3.004 1.00 0.00 H new ATOM 742 N ASN A 50 3.298 -9.962 -1.257 1.00 0.00 N ATOM 743 CA ASN A 50 3.976 -9.066 -2.188 1.00 0.00 C ATOM 744 C ASN A 50 3.989 -7.638 -1.652 1.00 0.00 C ATOM 745 O ASN A 50 3.096 -7.236 -0.905 1.00 0.00 O ATOM 746 CB ASN A 50 3.301 -9.095 -3.562 1.00 0.00 C ATOM 747 CG ASN A 50 2.743 -10.463 -3.913 1.00 0.00 C ATOM 748 OD1 ASN A 50 3.493 -11.400 -4.190 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.421 -10.583 -3.901 1.00 0.00 N ATOM 0 H ASN A 50 2.281 -9.890 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 50 5.004 -9.413 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.494 -8.362 -3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.022 -8.795 -4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.988 -11.478 -4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.838 -9.780 -3.666 1.00 0.00 H new ATOM 756 N LEU A 51 5.008 -6.880 -2.036 1.00 0.00 N ATOM 757 CA LEU A 51 5.146 -5.499 -1.596 1.00 0.00 C ATOM 758 C LEU A 51 6.079 -4.732 -2.533 1.00 0.00 C ATOM 759 O LEU A 51 6.995 -5.311 -3.118 1.00 0.00 O ATOM 760 CB LEU A 51 5.685 -5.467 -0.163 1.00 0.00 C ATOM 761 CG LEU A 51 6.225 -4.116 0.311 1.00 0.00 C ATOM 762 CD1 LEU A 51 5.082 -3.177 0.655 1.00 0.00 C ATOM 763 CD2 LEU A 51 7.141 -4.308 1.508 1.00 0.00 C ATOM 0 H LEU A 51 5.754 -7.201 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 51 4.168 -5.019 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.888 -5.777 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.481 -6.207 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 51 6.802 -3.667 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.485 -2.221 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.462 -3.020 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.478 -3.615 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.519 -3.340 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.585 -4.775 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.978 -4.948 1.227 1.00 0.00 H new ATOM 775 N ASN A 52 5.846 -3.430 -2.672 1.00 0.00 N ATOM 776 CA ASN A 52 6.679 -2.601 -3.540 1.00 0.00 C ATOM 777 C ASN A 52 6.639 -1.130 -3.124 1.00 0.00 C ATOM 778 O ASN A 52 5.569 -0.528 -3.026 1.00 0.00 O ATOM 779 CB ASN A 52 6.241 -2.760 -5.004 1.00 0.00 C ATOM 780 CG ASN A 52 5.098 -1.838 -5.392 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.180 -1.117 -6.387 1.00 0.00 O ATOM 782 ND2 ASN A 52 4.027 -1.854 -4.608 1.00 0.00 N ATOM 0 H ASN A 52 5.094 -2.929 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 52 7.710 -2.941 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.093 -2.564 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.940 -3.793 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.230 -1.253 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.001 -2.467 -3.793 1.00 0.00 H new ATOM 789 N CYS A 53 7.817 -0.559 -2.885 1.00 0.00 N ATOM 790 CA CYS A 53 7.934 0.834 -2.486 1.00 0.00 C ATOM 791 C CYS A 53 7.993 1.745 -3.710 1.00 0.00 C ATOM 792 O CYS A 53 8.351 1.307 -4.803 1.00 0.00 O ATOM 793 CB CYS A 53 9.191 1.024 -1.638 1.00 0.00 C ATOM 794 SG CYS A 53 9.503 -0.319 -0.445 1.00 0.00 S ATOM 0 H CYS A 53 8.709 -1.048 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 53 7.055 1.101 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.052 1.112 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.109 1.965 -1.094 1.00 0.00 H new ATOM 799 N CYS A 54 7.645 3.013 -3.518 1.00 0.00 N ATOM 800 CA CYS A 54 7.663 3.982 -4.607 1.00 0.00 C ATOM 801 C CYS A 54 7.706 5.396 -4.080 1.00 0.00 C ATOM 802 O CYS A 54 7.307 5.675 -2.951 1.00 0.00 O ATOM 803 CB CYS A 54 6.454 3.800 -5.525 1.00 0.00 C ATOM 804 SG CYS A 54 4.911 3.374 -4.654 1.00 0.00 S ATOM 0 H CYS A 54 7.347 3.393 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 54 8.569 3.803 -5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.298 4.720 -6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.677 3.017 -6.250 1.00 0.00 H new ATOM 809 N ARG A 55 8.231 6.273 -4.911 1.00 0.00 N ATOM 810 CA ARG A 55 8.387 7.660 -4.564 1.00 0.00 C ATOM 811 C ARG A 55 7.603 8.563 -5.514 1.00 0.00 C ATOM 812 O ARG A 55 8.082 9.624 -5.915 1.00 0.00 O ATOM 813 CB ARG A 55 9.872 8.003 -4.601 1.00 0.00 C ATOM 814 CG ARG A 55 10.781 6.815 -4.890 1.00 0.00 C ATOM 815 CD ARG A 55 12.227 7.125 -4.546 1.00 0.00 C ATOM 816 NE ARG A 55 12.813 8.060 -5.496 1.00 0.00 N ATOM 817 CZ ARG A 55 14.081 8.463 -5.457 1.00 0.00 C ATOM 818 NH1 ARG A 55 14.899 8.013 -4.515 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.531 9.319 -6.364 1.00 0.00 N ATOM 0 H ARG A 55 8.561 6.038 -5.847 1.00 0.00 H new ATOM 0 HA ARG A 55 7.990 7.827 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.038 8.766 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.157 8.439 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.446 5.951 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.706 6.546 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.281 7.544 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.806 6.202 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 55 12.216 8.428 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.557 7.354 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.870 8.326 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.906 9.668 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.502 9.629 -6.335 1.00 0.00 H new ATOM 833 N THR A 56 6.395 8.136 -5.872 1.00 0.00 N ATOM 834 CA THR A 56 5.549 8.910 -6.774 1.00 0.00 C ATOM 835 C THR A 56 4.173 9.148 -6.159 1.00 0.00 C ATOM 836 O THR A 56 3.697 8.351 -5.350 1.00 0.00 O ATOM 837 CB THR A 56 5.403 8.190 -8.115 1.00 0.00 C ATOM 838 OG1 THR A 56 6.493 7.311 -8.334 1.00 0.00 O ATOM 839 CG2 THR A 56 5.330 9.133 -9.296 1.00 0.00 C ATOM 0 H THR A 56 5.981 7.260 -5.552 1.00 0.00 H new ATOM 0 HA THR A 56 6.026 9.876 -6.939 1.00 0.00 H new ATOM 0 HB THR A 56 4.462 7.644 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.380 6.859 -9.196 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.227 8.557 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.470 9.792 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.241 9.730 -9.342 1.00 0.00 H new ATOM 847 N ASP A 57 3.539 10.249 -6.548 1.00 0.00 N ATOM 848 CA ASP A 57 2.216 10.591 -6.036 1.00 0.00 C ATOM 849 C ASP A 57 1.188 9.540 -6.442 1.00 0.00 C ATOM 850 O ASP A 57 1.049 9.218 -7.622 1.00 0.00 O ATOM 851 CB ASP A 57 1.786 11.967 -6.550 1.00 0.00 C ATOM 852 CG ASP A 57 0.514 12.459 -5.888 1.00 0.00 C ATOM 853 OD1 ASP A 57 0.365 12.259 -4.664 1.00 0.00 O ATOM 854 OD2 ASP A 57 -0.333 13.046 -6.594 1.00 0.00 O ATOM 0 H ASP A 57 3.919 10.920 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 57 2.271 10.619 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.586 12.685 -6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.636 11.918 -7.629 1.00 0.00 H new ATOM 859 N ARG A 58 0.473 9.007 -5.456 1.00 0.00 N ATOM 860 CA ARG A 58 -0.540 7.989 -5.711 1.00 0.00 C ATOM 861 C ARG A 58 0.073 6.765 -6.384 1.00 0.00 C ATOM 862 O ARG A 58 -0.605 6.035 -7.105 1.00 0.00 O ATOM 863 CB ARG A 58 -1.656 8.562 -6.586 1.00 0.00 C ATOM 864 CG ARG A 58 -2.492 9.623 -5.889 1.00 0.00 C ATOM 865 CD ARG A 58 -3.691 10.029 -6.730 1.00 0.00 C ATOM 866 NE ARG A 58 -3.984 11.456 -6.611 1.00 0.00 N ATOM 867 CZ ARG A 58 -5.152 12.003 -6.939 1.00 0.00 C ATOM 868 NH1 ARG A 58 -6.139 11.248 -7.407 1.00 0.00 N ATOM 869 NH2 ARG A 58 -5.335 13.308 -6.800 1.00 0.00 N ATOM 0 H ARG A 58 0.576 9.263 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.959 7.680 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.216 8.991 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.308 7.750 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.834 9.244 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.875 10.499 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.501 9.784 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.563 9.453 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.250 12.069 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.004 10.243 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.032 11.673 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.581 13.893 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.230 13.727 -7.051 1.00 0.00 H new ATOM 883 N CYS A 59 1.363 6.547 -6.141 1.00 0.00 N ATOM 884 CA CYS A 59 2.072 5.417 -6.721 1.00 0.00 C ATOM 885 C CYS A 59 1.472 4.093 -6.252 1.00 0.00 C ATOM 886 O CYS A 59 1.549 3.083 -6.951 1.00 0.00 O ATOM 887 CB CYS A 59 3.552 5.488 -6.345 1.00 0.00 C ATOM 888 SG CYS A 59 3.899 5.131 -4.591 1.00 0.00 S ATOM 0 H CYS A 59 1.937 7.142 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 59 1.972 5.467 -7.805 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.106 4.782 -6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.928 6.483 -6.582 1.00 0.00 H new ATOM 893 N ASN A 60 0.878 4.106 -5.062 1.00 0.00 N ATOM 894 CA ASN A 60 0.267 2.908 -4.498 1.00 0.00 C ATOM 895 C ASN A 60 -1.235 2.882 -4.766 1.00 0.00 C ATOM 896 O ASN A 60 -2.006 2.333 -3.979 1.00 0.00 O ATOM 897 CB ASN A 60 0.529 2.843 -2.992 1.00 0.00 C ATOM 898 CG ASN A 60 0.034 4.079 -2.266 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.536 4.985 -2.874 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.249 4.121 -0.956 1.00 0.00 N ATOM 0 H ASN A 60 0.807 4.934 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 60 0.716 2.039 -4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.039 1.961 -2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.598 2.726 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.063 4.927 -0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.726 3.348 -0.492 1.00 0.00 H new ATOM 907 N ASN A 61 -1.645 3.479 -5.881 1.00 0.00 N ATOM 908 CA ASN A 61 -3.050 3.525 -6.252 1.00 0.00 C ATOM 909 C ASN A 61 -3.540 2.154 -6.707 1.00 0.00 C ATOM 910 O ASN A 61 -2.703 1.233 -6.814 1.00 0.00 O ATOM 911 CB ASN A 61 -3.262 4.552 -7.364 1.00 0.00 C ATOM 912 CG ASN A 61 -2.295 4.366 -8.516 1.00 0.00 C ATOM 913 OD1 ASN A 61 -1.521 3.409 -8.545 1.00 0.00 O ATOM 914 ND2 ASN A 61 -2.332 5.284 -9.474 1.00 0.00 N ATOM 915 OXT ASN A 61 -4.756 2.013 -6.952 1.00 0.00 O ATOM 0 H ASN A 61 -1.020 3.938 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.626 3.819 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.284 4.475 -7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.146 5.556 -6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.703 5.212 -10.274 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.989 6.061 -9.410 1.00 0.00 H new TER 922 ASN A 61