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 Single : A 1 LEU N :NH3+ 154:sc= -0.01 (180deg=-0.111) USER MOD Single : A 4 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-5.8!) USER MOD Single : A 5 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.7!) USER MOD Single : A 6 GLN : amide:sc= -2.4 K(o=-2.4,f=-4.4!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 37:sc= 0.596 USER MOD Single : A 9 SER OG : rot 53:sc= 1.1 USER MOD Single : A 10 GLN : amide:sc= -0.971 K(o=-0.97,f=-0.079) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0836 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0656) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0987 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.17 X(o=-2.2,f=-2.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.574 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 0.0412 (180deg=0.00755) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.21) USER MOD Single : A 29 SER OG : rot 180:sc= -0.577 USER MOD Single : A 31 HIS : no HD1:sc= -4.73 X(o=-4.7,f=-5.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.046) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.289 X(o=0.29,f=0) USER MOD Single : A 52 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.58) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 60 ASN : amide:sc= -1.75 K(o=-1.7,f=-16!) USER MOD Single : A 61 ASN : amide:sc= -3.18 X(o=-3.2,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.377 15.445 -1.749 1.00 0.00 N ATOM 2 CA LEU A 1 3.442 14.596 -2.531 1.00 0.00 C ATOM 3 C LEU A 1 2.319 14.053 -1.652 1.00 0.00 C ATOM 4 O LEU A 1 2.229 14.382 -0.468 1.00 0.00 O ATOM 5 CB LEU A 1 4.233 13.444 -3.149 1.00 0.00 C ATOM 6 CG LEU A 1 4.789 12.447 -2.139 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.560 11.017 -2.607 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.269 12.701 -1.897 1.00 0.00 C ATOM 0 H1 LEU A 1 5.313 15.438 -2.201 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.016 16.420 -1.716 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.457 15.073 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 1 2.981 15.199 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.589 12.912 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.060 13.856 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 1 4.257 12.585 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.965 10.324 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.491 10.839 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.060 10.863 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.648 11.980 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.814 12.595 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.406 13.710 -1.509 1.00 0.00 H new ATOM 22 N GLU A 2 1.467 13.221 -2.239 1.00 0.00 N ATOM 23 CA GLU A 2 0.349 12.631 -1.511 1.00 0.00 C ATOM 24 C GLU A 2 0.070 11.213 -2.000 1.00 0.00 C ATOM 25 O GLU A 2 -0.458 11.017 -3.095 1.00 0.00 O ATOM 26 CB GLU A 2 -0.904 13.494 -1.671 1.00 0.00 C ATOM 27 CG GLU A 2 -1.070 14.534 -0.575 1.00 0.00 C ATOM 28 CD GLU A 2 -2.333 15.356 -0.737 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.614 15.796 -1.872 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.042 15.559 0.270 1.00 0.00 O ATOM 0 H GLU A 2 1.529 12.939 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 2 0.618 12.586 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.867 13.998 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.781 12.847 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.087 14.035 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.206 15.198 -0.576 1.00 0.00 H new ATOM 37 N CYS A 3 0.431 10.229 -1.184 1.00 0.00 N ATOM 38 CA CYS A 3 0.225 8.834 -1.530 1.00 0.00 C ATOM 39 C CYS A 3 -1.221 8.419 -1.276 1.00 0.00 C ATOM 40 O CYS A 3 -2.098 9.263 -1.099 1.00 0.00 O ATOM 41 CB CYS A 3 1.171 7.956 -0.716 1.00 0.00 C ATOM 42 SG CYS A 3 2.889 8.559 -0.657 1.00 0.00 S ATOM 0 H CYS A 3 0.869 10.376 -0.275 1.00 0.00 H new ATOM 0 HA CYS A 3 0.435 8.706 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.790 7.879 0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.166 6.950 -1.136 1.00 0.00 H new ATOM 47 N HIS A 4 -1.461 7.111 -1.261 1.00 0.00 N ATOM 48 CA HIS A 4 -2.799 6.583 -1.029 1.00 0.00 C ATOM 49 C HIS A 4 -2.822 5.680 0.200 1.00 0.00 C ATOM 50 O HIS A 4 -1.778 5.233 0.675 1.00 0.00 O ATOM 51 CB HIS A 4 -3.281 5.805 -2.254 1.00 0.00 C ATOM 52 CG HIS A 4 -3.732 6.684 -3.380 1.00 0.00 C ATOM 53 ND1 HIS A 4 -4.745 7.611 -3.253 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.301 6.772 -4.661 1.00 0.00 C ATOM 55 CE1 HIS A 4 -4.919 8.230 -4.406 1.00 0.00 C ATOM 56 NE2 HIS A 4 -4.057 7.740 -5.278 1.00 0.00 N ATOM 0 H HIS A 4 -0.746 6.399 -1.407 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.469 7.424 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.475 5.161 -2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.104 5.153 -1.960 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.277 7.790 -2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.511 6.190 -5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.644 9.006 -4.603 1.00 0.00 H new ATOM 65 N ASN A 5 -4.021 5.415 0.707 1.00 0.00 N ATOM 66 CA ASN A 5 -4.187 4.565 1.879 1.00 0.00 C ATOM 67 C ASN A 5 -5.576 3.936 1.891 1.00 0.00 C ATOM 68 O ASN A 5 -6.289 3.996 2.892 1.00 0.00 O ATOM 69 CB ASN A 5 -3.965 5.374 3.159 1.00 0.00 C ATOM 70 CG ASN A 5 -4.970 6.499 3.312 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.007 7.428 2.504 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.792 6.421 4.352 1.00 0.00 N ATOM 0 H ASN A 5 -4.894 5.778 0.323 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.444 3.768 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.032 4.711 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.957 5.789 3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.490 7.149 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.726 5.633 4.996 1.00 0.00 H new ATOM 79 N GLN A 6 -5.955 3.340 0.765 1.00 0.00 N ATOM 80 CA GLN A 6 -7.262 2.707 0.641 1.00 0.00 C ATOM 81 C GLN A 6 -7.130 1.206 0.405 1.00 0.00 C ATOM 82 O GLN A 6 -6.774 0.769 -0.690 1.00 0.00 O ATOM 83 CB GLN A 6 -8.052 3.343 -0.504 1.00 0.00 C ATOM 84 CG GLN A 6 -7.278 3.415 -1.810 1.00 0.00 C ATOM 85 CD GLN A 6 -8.081 2.917 -2.996 1.00 0.00 C ATOM 86 OE1 GLN A 6 -9.093 2.235 -2.834 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.632 3.255 -4.200 1.00 0.00 N ATOM 0 H GLN A 6 -5.376 3.282 -0.073 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.797 2.861 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.967 2.772 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.351 4.350 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.973 4.446 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.366 2.824 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.789 3.822 -4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.131 2.948 -5.035 1.00 0.00 H new ATOM 96 N GLN A 7 -7.429 0.422 1.435 1.00 0.00 N ATOM 97 CA GLN A 7 -7.356 -1.026 1.340 1.00 0.00 C ATOM 98 C GLN A 7 -8.599 -1.570 0.645 1.00 0.00 C ATOM 99 O GLN A 7 -9.420 -0.801 0.142 1.00 0.00 O ATOM 100 CB GLN A 7 -7.222 -1.634 2.736 1.00 0.00 C ATOM 101 CG GLN A 7 -8.198 -1.061 3.750 1.00 0.00 C ATOM 102 CD GLN A 7 -8.453 -2.001 4.910 1.00 0.00 C ATOM 103 OE1 GLN A 7 -7.546 -2.316 5.681 1.00 0.00 O ATOM 104 NE2 GLN A 7 -9.693 -2.458 5.040 1.00 0.00 N ATOM 0 H GLN A 7 -7.725 0.769 2.347 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.480 -1.298 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.373 -2.711 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.205 -1.476 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.808 -0.117 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.142 -0.838 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.414 -2.171 4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.924 -3.096 5.802 1.00 0.00 H new ATOM 113 N SER A 8 -8.743 -2.892 0.614 1.00 0.00 N ATOM 114 CA SER A 8 -9.900 -3.511 -0.026 1.00 0.00 C ATOM 115 C SER A 8 -11.196 -2.882 0.473 1.00 0.00 C ATOM 116 O SER A 8 -11.552 -3.016 1.644 1.00 0.00 O ATOM 117 CB SER A 8 -9.923 -5.015 0.230 1.00 0.00 C ATOM 118 OG SER A 8 -9.997 -5.297 1.617 1.00 0.00 O ATOM 0 H SER A 8 -8.079 -3.551 1.021 1.00 0.00 H new ATOM 0 HA SER A 8 -9.816 -3.340 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.777 -5.461 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.027 -5.472 -0.190 1.00 0.00 H new ATOM 0 HG SER A 8 -10.569 -4.633 2.056 1.00 0.00 H new ATOM 124 N SER A 9 -11.889 -2.195 -0.432 1.00 0.00 N ATOM 125 CA SER A 9 -13.151 -1.523 -0.120 1.00 0.00 C ATOM 126 C SER A 9 -13.384 -0.370 -1.089 1.00 0.00 C ATOM 127 O SER A 9 -12.657 0.624 -1.069 1.00 0.00 O ATOM 128 CB SER A 9 -13.158 -0.988 1.317 1.00 0.00 C ATOM 129 OG SER A 9 -13.719 -1.934 2.211 1.00 0.00 O ATOM 0 H SER A 9 -11.593 -2.088 -1.402 1.00 0.00 H new ATOM 0 HA SER A 9 -13.951 -2.256 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.140 -0.751 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.728 -0.060 1.360 1.00 0.00 H new ATOM 0 HG SER A 9 -13.263 -2.795 2.104 1.00 0.00 H new ATOM 135 N GLN A 10 -14.396 -0.511 -1.941 1.00 0.00 N ATOM 136 CA GLN A 10 -14.728 0.517 -2.926 1.00 0.00 C ATOM 137 C GLN A 10 -14.667 1.916 -2.313 1.00 0.00 C ATOM 138 O GLN A 10 -14.663 2.070 -1.092 1.00 0.00 O ATOM 139 CB GLN A 10 -16.121 0.268 -3.508 1.00 0.00 C ATOM 140 CG GLN A 10 -16.407 -1.192 -3.821 1.00 0.00 C ATOM 141 CD GLN A 10 -17.410 -1.817 -2.866 1.00 0.00 C ATOM 142 OE1 GLN A 10 -18.219 -2.655 -3.264 1.00 0.00 O ATOM 143 NE2 GLN A 10 -17.364 -1.413 -1.600 1.00 0.00 N ATOM 0 H GLN A 10 -15.003 -1.330 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.988 0.460 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.869 0.631 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.233 0.853 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.785 -1.272 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.475 -1.756 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.677 -0.716 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -18.015 -1.800 -0.917 1.00 0.00 H new ATOM 152 N ALA A 11 -14.616 2.932 -3.171 1.00 0.00 N ATOM 153 CA ALA A 11 -14.549 4.320 -2.720 1.00 0.00 C ATOM 154 C ALA A 11 -13.163 4.655 -2.174 1.00 0.00 C ATOM 155 O ALA A 11 -12.990 4.854 -0.972 1.00 0.00 O ATOM 156 CB ALA A 11 -15.617 4.592 -1.667 1.00 0.00 C ATOM 0 H ALA A 11 -14.620 2.820 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.737 4.962 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.552 5.631 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.603 4.406 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.461 3.934 -0.812 1.00 0.00 H new ATOM 162 N PRO A 12 -12.152 4.717 -3.059 1.00 0.00 N ATOM 163 CA PRO A 12 -10.768 5.025 -2.675 1.00 0.00 C ATOM 164 C PRO A 12 -10.660 6.223 -1.735 1.00 0.00 C ATOM 165 O PRO A 12 -11.654 6.889 -1.443 1.00 0.00 O ATOM 166 CB PRO A 12 -10.110 5.336 -4.015 1.00 0.00 C ATOM 167 CG PRO A 12 -10.836 4.458 -4.965 1.00 0.00 C ATOM 168 CD PRO A 12 -12.271 4.486 -4.513 1.00 0.00 C ATOM 0 HA PRO A 12 -10.306 4.206 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.215 6.388 -4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.043 5.116 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.739 4.820 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.437 3.444 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.834 5.280 -5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.783 3.549 -4.733 1.00 0.00 H new ATOM 176 N THR A 13 -9.444 6.490 -1.268 1.00 0.00 N ATOM 177 CA THR A 13 -9.198 7.609 -0.364 1.00 0.00 C ATOM 178 C THR A 13 -7.772 8.131 -0.524 1.00 0.00 C ATOM 179 O THR A 13 -6.914 7.453 -1.091 1.00 0.00 O ATOM 180 CB THR A 13 -9.437 7.184 1.086 1.00 0.00 C ATOM 181 OG1 THR A 13 -9.276 8.284 1.965 1.00 0.00 O ATOM 182 CG2 THR A 13 -8.505 6.086 1.551 1.00 0.00 C ATOM 0 H THR A 13 -8.613 5.946 -1.501 1.00 0.00 H new ATOM 0 HA THR A 13 -9.892 8.410 -0.619 1.00 0.00 H new ATOM 0 HB THR A 13 -10.459 6.805 1.110 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.435 7.992 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.729 5.833 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.641 5.204 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.473 6.429 1.476 1.00 0.00 H new ATOM 190 N THR A 14 -7.527 9.338 -0.025 1.00 0.00 N ATOM 191 CA THR A 14 -6.204 9.947 -0.116 1.00 0.00 C ATOM 192 C THR A 14 -5.780 10.537 1.225 1.00 0.00 C ATOM 193 O THR A 14 -6.618 10.958 2.023 1.00 0.00 O ATOM 194 CB THR A 14 -6.195 11.036 -1.191 1.00 0.00 C ATOM 195 OG1 THR A 14 -6.905 12.180 -0.752 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.807 10.589 -2.501 1.00 0.00 C ATOM 0 H THR A 14 -8.225 9.913 0.446 1.00 0.00 H new ATOM 0 HA THR A 14 -5.492 9.168 -0.389 1.00 0.00 H new ATOM 0 HB THR A 14 -5.143 11.266 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.886 12.865 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.769 11.408 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.249 9.738 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.845 10.298 -2.337 1.00 0.00 H new ATOM 204 N LYS A 15 -4.472 10.566 1.465 1.00 0.00 N ATOM 205 CA LYS A 15 -3.934 11.106 2.709 1.00 0.00 C ATOM 206 C LYS A 15 -2.463 11.477 2.550 1.00 0.00 C ATOM 207 O LYS A 15 -1.934 11.500 1.438 1.00 0.00 O ATOM 208 CB LYS A 15 -4.098 10.090 3.842 1.00 0.00 C ATOM 209 CG LYS A 15 -4.464 10.720 5.175 1.00 0.00 C ATOM 210 CD LYS A 15 -5.959 10.638 5.438 1.00 0.00 C ATOM 211 CE LYS A 15 -6.252 10.326 6.896 1.00 0.00 C ATOM 212 NZ LYS A 15 -5.919 8.916 7.240 1.00 0.00 N ATOM 0 H LYS A 15 -3.766 10.222 0.814 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.492 12.009 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.869 9.371 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.168 9.532 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.924 10.216 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.148 11.763 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.430 11.583 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.399 9.868 4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.680 11.000 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.306 10.511 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.331 8.678 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.308 8.281 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.886 8.803 7.281 1.00 0.00 H new ATOM 226 N THR A 16 -1.806 11.767 3.668 1.00 0.00 N ATOM 227 CA THR A 16 -0.395 12.138 3.653 1.00 0.00 C ATOM 228 C THR A 16 0.281 11.766 4.971 1.00 0.00 C ATOM 229 O THR A 16 -0.353 11.215 5.870 1.00 0.00 O ATOM 230 CB THR A 16 -0.244 13.638 3.397 1.00 0.00 C ATOM 231 OG1 THR A 16 -1.368 14.143 2.697 1.00 0.00 O ATOM 232 CG2 THR A 16 0.990 13.986 2.593 1.00 0.00 C ATOM 0 H THR A 16 -2.228 11.752 4.597 1.00 0.00 H new ATOM 0 HA THR A 16 0.091 11.587 2.848 1.00 0.00 H new ATOM 0 HB THR A 16 -0.156 14.092 4.384 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.253 15.104 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.037 15.065 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.879 13.653 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.944 13.491 1.623 1.00 0.00 H new ATOM 240 N CYS A 17 1.571 12.070 5.075 1.00 0.00 N ATOM 241 CA CYS A 17 2.332 11.769 6.283 1.00 0.00 C ATOM 242 C CYS A 17 3.341 12.874 6.579 1.00 0.00 C ATOM 243 O CYS A 17 3.777 13.587 5.675 1.00 0.00 O ATOM 244 CB CYS A 17 3.061 10.429 6.141 1.00 0.00 C ATOM 245 SG CYS A 17 2.117 9.148 5.251 1.00 0.00 S ATOM 0 H CYS A 17 2.111 12.524 4.338 1.00 0.00 H new ATOM 0 HA CYS A 17 1.628 11.705 7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.004 10.596 5.620 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.308 10.056 7.135 1.00 0.00 H new ATOM 250 N SER A 18 3.711 13.007 7.848 1.00 0.00 N ATOM 251 CA SER A 18 4.674 14.022 8.261 1.00 0.00 C ATOM 252 C SER A 18 6.085 13.628 7.839 1.00 0.00 C ATOM 253 O SER A 18 6.527 12.507 8.091 1.00 0.00 O ATOM 254 CB SER A 18 4.617 14.224 9.776 1.00 0.00 C ATOM 255 OG SER A 18 4.168 13.050 10.431 1.00 0.00 O ATOM 0 H SER A 18 3.359 12.425 8.608 1.00 0.00 H new ATOM 0 HA SER A 18 4.414 14.960 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.605 14.496 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.949 15.053 10.011 1.00 0.00 H new ATOM 0 HG SER A 18 4.142 13.205 11.398 1.00 0.00 H new ATOM 261 N GLY A 19 6.787 14.553 7.193 1.00 0.00 N ATOM 262 CA GLY A 19 8.139 14.275 6.744 1.00 0.00 C ATOM 263 C GLY A 19 8.195 13.091 5.800 1.00 0.00 C ATOM 264 O GLY A 19 9.102 12.263 5.881 1.00 0.00 O ATOM 0 H GLY A 19 6.445 15.488 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.543 15.156 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.774 14.079 7.608 1.00 0.00 H new ATOM 268 N GLU A 20 7.216 13.011 4.903 1.00 0.00 N ATOM 269 CA GLU A 20 7.143 11.919 3.938 1.00 0.00 C ATOM 270 C GLU A 20 8.446 11.784 3.154 1.00 0.00 C ATOM 271 O GLU A 20 8.936 12.750 2.569 1.00 0.00 O ATOM 272 CB GLU A 20 5.977 12.145 2.972 1.00 0.00 C ATOM 273 CG GLU A 20 4.716 11.388 3.356 1.00 0.00 C ATOM 274 CD GLU A 20 3.863 11.032 2.154 1.00 0.00 C ATOM 275 OE1 GLU A 20 4.437 10.725 1.089 1.00 0.00 O ATOM 276 OE2 GLU A 20 2.621 11.060 2.279 1.00 0.00 O ATOM 0 H GLU A 20 6.460 13.692 4.825 1.00 0.00 H new ATOM 0 HA GLU A 20 6.980 10.994 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.753 13.211 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.282 11.843 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.991 10.476 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.129 11.993 4.047 1.00 0.00 H new ATOM 283 N THR A 21 8.996 10.574 3.142 1.00 0.00 N ATOM 284 CA THR A 21 10.236 10.302 2.426 1.00 0.00 C ATOM 285 C THR A 21 9.993 9.300 1.304 1.00 0.00 C ATOM 286 O THR A 21 10.384 9.523 0.158 1.00 0.00 O ATOM 287 CB THR A 21 11.303 9.769 3.385 1.00 0.00 C ATOM 288 OG1 THR A 21 10.915 9.971 4.732 1.00 0.00 O ATOM 289 CG2 THR A 21 12.656 10.421 3.196 1.00 0.00 C ATOM 0 H THR A 21 8.601 9.765 3.621 1.00 0.00 H new ATOM 0 HA THR A 21 10.593 11.236 1.991 1.00 0.00 H new ATOM 0 HB THR A 21 11.392 8.707 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.610 9.622 5.328 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.366 9.998 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.008 10.241 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.569 11.494 3.365 1.00 0.00 H new ATOM 297 N ASN A 22 9.336 8.200 1.645 1.00 0.00 N ATOM 298 CA ASN A 22 9.024 7.156 0.675 1.00 0.00 C ATOM 299 C ASN A 22 7.743 6.428 1.066 1.00 0.00 C ATOM 300 O ASN A 22 7.467 6.230 2.249 1.00 0.00 O ATOM 301 CB ASN A 22 10.173 6.146 0.560 1.00 0.00 C ATOM 302 CG ASN A 22 11.510 6.711 1.003 1.00 0.00 C ATOM 303 OD1 ASN A 22 12.015 7.674 0.424 1.00 0.00 O ATOM 304 ND2 ASN A 22 12.092 6.110 2.033 1.00 0.00 N ATOM 0 H ASN A 22 9.007 8.006 2.591 1.00 0.00 H new ATOM 0 HA ASN A 22 8.884 7.637 -0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.939 5.268 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.252 5.811 -0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.994 6.443 2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.638 5.315 2.483 1.00 0.00 H new ATOM 311 N CYS A 23 6.967 6.025 0.066 1.00 0.00 N ATOM 312 CA CYS A 23 5.722 5.314 0.303 1.00 0.00 C ATOM 313 C CYS A 23 5.822 3.889 -0.223 1.00 0.00 C ATOM 314 O CYS A 23 6.877 3.470 -0.698 1.00 0.00 O ATOM 315 CB CYS A 23 4.565 6.045 -0.371 1.00 0.00 C ATOM 316 SG CYS A 23 3.784 7.316 0.675 1.00 0.00 S ATOM 0 H CYS A 23 7.182 6.181 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 23 5.537 5.277 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.928 6.514 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.810 5.316 -0.665 1.00 0.00 H new ATOM 321 N TYR A 24 4.729 3.142 -0.137 1.00 0.00 N ATOM 322 CA TYR A 24 4.727 1.764 -0.612 1.00 0.00 C ATOM 323 C TYR A 24 3.316 1.249 -0.863 1.00 0.00 C ATOM 324 O TYR A 24 2.326 1.923 -0.578 1.00 0.00 O ATOM 325 CB TYR A 24 5.432 0.853 0.393 1.00 0.00 C ATOM 326 CG TYR A 24 4.823 0.889 1.778 1.00 0.00 C ATOM 327 CD1 TYR A 24 5.065 1.954 2.636 1.00 0.00 C ATOM 328 CD2 TYR A 24 4.010 -0.143 2.227 1.00 0.00 C ATOM 329 CE1 TYR A 24 4.513 1.989 3.902 1.00 0.00 C ATOM 330 CE2 TYR A 24 3.453 -0.113 3.492 1.00 0.00 C ATOM 331 CZ TYR A 24 3.708 0.955 4.325 1.00 0.00 C ATOM 332 OH TYR A 24 3.156 0.987 5.584 1.00 0.00 O ATOM 0 H TYR A 24 3.842 3.462 0.252 1.00 0.00 H new ATOM 0 HA TYR A 24 5.265 1.751 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.407 -0.171 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.481 1.143 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.695 2.768 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.810 -0.982 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.712 2.824 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.821 -0.923 3.826 1.00 0.00 H new ATOM 0 HH TYR A 24 2.614 0.183 5.724 1.00 0.00 H new ATOM 342 N LYS A 25 3.249 0.031 -1.385 1.00 0.00 N ATOM 343 CA LYS A 25 1.983 -0.630 -1.672 1.00 0.00 C ATOM 344 C LYS A 25 2.185 -2.136 -1.668 1.00 0.00 C ATOM 345 O LYS A 25 3.005 -2.661 -2.420 1.00 0.00 O ATOM 346 CB LYS A 25 1.422 -0.186 -3.023 1.00 0.00 C ATOM 347 CG LYS A 25 -0.089 -0.313 -3.117 1.00 0.00 C ATOM 348 CD LYS A 25 -0.563 -0.254 -4.560 1.00 0.00 C ATOM 349 CE LYS A 25 -1.881 -0.988 -4.744 1.00 0.00 C ATOM 350 NZ LYS A 25 -2.058 -1.472 -6.141 1.00 0.00 N ATOM 0 H LYS A 25 4.070 -0.526 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 25 1.266 -0.351 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.704 0.851 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.880 -0.782 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.405 -1.254 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.559 0.487 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.679 0.786 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.193 -0.693 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.924 -1.834 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.705 -0.324 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.791 -2.209 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.346 -0.679 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.160 -1.866 -6.488 1.00 0.00 H new ATOM 364 N LYS A 26 1.451 -2.828 -0.811 1.00 0.00 N ATOM 365 CA LYS A 26 1.578 -4.275 -0.714 1.00 0.00 C ATOM 366 C LYS A 26 0.277 -4.978 -1.044 1.00 0.00 C ATOM 367 O LYS A 26 -0.807 -4.412 -0.918 1.00 0.00 O ATOM 368 CB LYS A 26 2.019 -4.685 0.688 1.00 0.00 C ATOM 369 CG LYS A 26 1.323 -3.918 1.800 1.00 0.00 C ATOM 370 CD LYS A 26 2.264 -2.937 2.483 1.00 0.00 C ATOM 371 CE LYS A 26 2.612 -3.387 3.893 1.00 0.00 C ATOM 372 NZ LYS A 26 4.023 -3.066 4.250 1.00 0.00 N ATOM 0 H LYS A 26 0.766 -2.416 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 26 2.332 -4.575 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.830 -5.750 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.095 -4.539 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.469 -3.378 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.932 -4.620 2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.177 -2.838 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.800 -1.951 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.940 -2.905 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.452 -4.462 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.189 -3.296 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.667 -3.624 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.199 -2.053 4.094 1.00 0.00 H new ATOM 386 N TRP A 27 0.404 -6.232 -1.442 1.00 0.00 N ATOM 387 CA TRP A 27 -0.751 -7.052 -1.764 1.00 0.00 C ATOM 388 C TRP A 27 -0.392 -8.522 -1.724 1.00 0.00 C ATOM 389 O TRP A 27 0.775 -8.896 -1.846 1.00 0.00 O ATOM 390 CB TRP A 27 -1.333 -6.709 -3.131 1.00 0.00 C ATOM 391 CG TRP A 27 -0.343 -6.707 -4.235 1.00 0.00 C ATOM 392 CD1 TRP A 27 -0.145 -7.716 -5.105 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.563 -5.656 -4.613 1.00 0.00 C ATOM 394 NE1 TRP A 27 0.831 -7.387 -6.001 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.286 -6.127 -5.723 1.00 0.00 C ATOM 396 CE3 TRP A 27 0.841 -4.371 -4.126 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.265 -5.366 -6.356 1.00 0.00 C ATOM 398 CZ3 TRP A 27 1.812 -3.618 -4.758 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.515 -4.116 -5.861 1.00 0.00 C ATOM 0 H TRP A 27 1.300 -6.707 -1.550 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.508 -6.841 -1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.121 -7.424 -3.367 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.801 -5.726 -3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.682 -8.653 -5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.167 -7.984 -6.756 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.307 -3.978 -3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.808 -5.749 -7.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.033 -2.626 -4.394 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.269 -3.501 -6.330 1.00 0.00 H new ATOM 410 N TRP A 28 -1.403 -9.351 -1.544 1.00 0.00 N ATOM 411 CA TRP A 28 -1.196 -10.790 -1.477 1.00 0.00 C ATOM 412 C TRP A 28 -2.480 -11.547 -1.798 1.00 0.00 C ATOM 413 O TRP A 28 -3.507 -10.947 -2.114 1.00 0.00 O ATOM 414 CB TRP A 28 -0.715 -11.167 -0.082 1.00 0.00 C ATOM 415 CG TRP A 28 -1.660 -10.725 0.969 1.00 0.00 C ATOM 416 CD1 TRP A 28 -2.691 -11.440 1.474 1.00 0.00 C ATOM 417 CD2 TRP A 28 -1.673 -9.459 1.638 1.00 0.00 C ATOM 418 NE1 TRP A 28 -3.351 -10.703 2.411 1.00 0.00 N ATOM 419 CE2 TRP A 28 -2.746 -9.485 2.539 1.00 0.00 C ATOM 420 CE3 TRP A 28 -0.883 -8.308 1.565 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.056 -8.409 3.364 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.188 -7.237 2.386 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.267 -7.296 3.276 1.00 0.00 C ATOM 0 H TRP A 28 -2.374 -9.056 -1.442 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.445 -11.065 -2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.586 -12.248 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.262 -10.719 0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.952 -12.445 1.179 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.169 -11.013 2.935 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.050 -8.256 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.890 -8.451 4.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.585 -6.342 2.340 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.480 -6.445 3.906 1.00 0.00 H new ATOM 434 N SER A 29 -2.413 -12.870 -1.702 1.00 0.00 N ATOM 435 CA SER A 29 -3.565 -13.722 -1.970 1.00 0.00 C ATOM 436 C SER A 29 -3.540 -14.948 -1.064 1.00 0.00 C ATOM 437 O SER A 29 -2.516 -15.620 -0.946 1.00 0.00 O ATOM 438 CB SER A 29 -3.578 -14.155 -3.437 1.00 0.00 C ATOM 439 OG SER A 29 -2.869 -13.234 -4.248 1.00 0.00 O ATOM 0 H SER A 29 -1.568 -13.378 -1.439 1.00 0.00 H new ATOM 0 HA SER A 29 -4.471 -13.152 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.132 -15.145 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.607 -14.235 -3.787 1.00 0.00 H new ATOM 0 HG SER A 29 -2.891 -13.535 -5.180 1.00 0.00 H new ATOM 445 N ASP A 30 -4.666 -15.233 -0.418 1.00 0.00 N ATOM 446 CA ASP A 30 -4.752 -16.379 0.482 1.00 0.00 C ATOM 447 C ASP A 30 -5.849 -17.352 0.040 1.00 0.00 C ATOM 448 O ASP A 30 -5.599 -18.250 -0.765 1.00 0.00 O ATOM 449 CB ASP A 30 -4.990 -15.904 1.920 1.00 0.00 C ATOM 450 CG ASP A 30 -5.129 -17.055 2.899 1.00 0.00 C ATOM 451 OD1 ASP A 30 -4.892 -18.212 2.495 1.00 0.00 O ATOM 452 OD2 ASP A 30 -5.475 -16.797 4.071 1.00 0.00 O ATOM 0 H ASP A 30 -5.526 -14.691 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.804 -16.915 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.162 -15.266 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.892 -15.293 1.952 1.00 0.00 H new ATOM 457 N HIS A 31 -7.062 -17.174 0.563 1.00 0.00 N ATOM 458 CA HIS A 31 -8.177 -18.044 0.210 1.00 0.00 C ATOM 459 C HIS A 31 -9.435 -17.225 -0.057 1.00 0.00 C ATOM 460 O HIS A 31 -10.135 -17.448 -1.045 1.00 0.00 O ATOM 461 CB HIS A 31 -8.439 -19.061 1.323 1.00 0.00 C ATOM 462 CG HIS A 31 -8.556 -18.449 2.685 1.00 0.00 C ATOM 463 ND1 HIS A 31 -9.687 -17.790 3.120 1.00 0.00 N ATOM 464 CD2 HIS A 31 -7.676 -18.400 3.714 1.00 0.00 C ATOM 465 CE1 HIS A 31 -9.496 -17.362 4.356 1.00 0.00 C ATOM 466 NE2 HIS A 31 -8.285 -17.720 4.739 1.00 0.00 N ATOM 0 H HIS A 31 -7.294 -16.438 1.230 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.912 -18.582 -0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.358 -19.603 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.631 -19.793 1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.680 -18.818 3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.210 -16.812 4.951 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -7.869 -17.523 5.649 1.00 0.00 H new ATOM 475 N ARG A 32 -9.715 -16.273 0.827 1.00 0.00 N ATOM 476 CA ARG A 32 -10.885 -15.417 0.678 1.00 0.00 C ATOM 477 C ARG A 32 -10.749 -14.531 -0.556 1.00 0.00 C ATOM 478 O ARG A 32 -11.746 -14.097 -1.133 1.00 0.00 O ATOM 479 CB ARG A 32 -11.075 -14.554 1.927 1.00 0.00 C ATOM 480 CG ARG A 32 -12.025 -15.162 2.947 1.00 0.00 C ATOM 481 CD ARG A 32 -11.757 -14.633 4.346 1.00 0.00 C ATOM 482 NE ARG A 32 -12.161 -15.585 5.378 1.00 0.00 N ATOM 483 CZ ARG A 32 -12.371 -15.256 6.650 1.00 0.00 C ATOM 484 NH1 ARG A 32 -12.217 -14.002 7.053 1.00 0.00 N ATOM 485 NH2 ARG A 32 -12.737 -16.186 7.523 1.00 0.00 N ATOM 0 H ARG A 32 -9.149 -16.076 1.652 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.761 -16.053 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.105 -14.392 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.452 -13.576 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.054 -14.940 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.920 -16.247 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.695 -14.412 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.294 -13.695 4.488 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.290 -16.560 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.936 -13.283 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.380 -13.757 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.857 -17.152 7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.898 -15.935 8.498 1.00 0.00 H new ATOM 499 N GLY A 33 -9.509 -14.269 -0.956 1.00 0.00 N ATOM 500 CA GLY A 33 -9.266 -13.439 -2.120 1.00 0.00 C ATOM 501 C GLY A 33 -7.920 -12.743 -2.068 1.00 0.00 C ATOM 502 O GLY A 33 -6.950 -13.284 -1.531 1.00 0.00 O ATOM 0 H GLY A 33 -8.669 -14.617 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.318 -14.055 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.055 -12.691 -2.200 1.00 0.00 H new ATOM 506 N THR A 34 -7.863 -11.538 -2.629 1.00 0.00 N ATOM 507 CA THR A 34 -6.632 -10.758 -2.652 1.00 0.00 C ATOM 508 C THR A 34 -6.801 -9.457 -1.872 1.00 0.00 C ATOM 509 O THR A 34 -7.830 -8.788 -1.977 1.00 0.00 O ATOM 510 CB THR A 34 -6.223 -10.451 -4.096 1.00 0.00 C ATOM 511 OG1 THR A 34 -7.168 -10.976 -5.011 1.00 0.00 O ATOM 512 CG2 THR A 34 -4.868 -11.015 -4.465 1.00 0.00 C ATOM 0 H THR A 34 -8.658 -11.081 -3.075 1.00 0.00 H new ATOM 0 HA THR A 34 -5.847 -11.348 -2.178 1.00 0.00 H new ATOM 0 HB THR A 34 -6.178 -9.364 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.888 -10.767 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.638 -10.762 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.107 -10.591 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.882 -12.099 -4.351 1.00 0.00 H new ATOM 520 N ILE A 35 -5.785 -9.104 -1.092 1.00 0.00 N ATOM 521 CA ILE A 35 -5.821 -7.881 -0.297 1.00 0.00 C ATOM 522 C ILE A 35 -4.674 -6.951 -0.676 1.00 0.00 C ATOM 523 O ILE A 35 -3.609 -7.404 -1.092 1.00 0.00 O ATOM 524 CB ILE A 35 -5.743 -8.186 1.211 1.00 0.00 C ATOM 525 CG1 ILE A 35 -6.735 -9.289 1.584 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.014 -6.927 2.021 1.00 0.00 C ATOM 527 CD1 ILE A 35 -6.568 -9.798 2.999 1.00 0.00 C ATOM 0 H ILE A 35 -4.927 -9.647 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.771 -7.392 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.737 -8.535 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.750 -8.911 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.618 -10.122 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.955 -7.159 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.272 -6.168 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.010 -6.551 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.304 -10.578 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.565 -10.206 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.715 -8.977 3.701 1.00 0.00 H new ATOM 539 N ILE A 36 -4.900 -5.649 -0.531 1.00 0.00 N ATOM 540 CA ILE A 36 -3.886 -4.654 -0.861 1.00 0.00 C ATOM 541 C ILE A 36 -3.885 -3.510 0.154 1.00 0.00 C ATOM 542 O ILE A 36 -4.929 -2.922 0.435 1.00 0.00 O ATOM 543 CB ILE A 36 -4.111 -4.076 -2.276 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.399 -3.245 -2.323 1.00 0.00 C ATOM 545 CG2 ILE A 36 -4.166 -5.199 -3.302 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.739 -2.727 -3.705 1.00 0.00 C ATOM 0 H ILE A 36 -5.777 -5.258 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.921 -5.159 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.273 -3.422 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.227 -3.853 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.301 -2.400 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.325 -4.778 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.226 -5.751 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.986 -5.874 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.662 -2.149 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.930 -2.091 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.870 -3.568 -4.386 1.00 0.00 H new ATOM 558 N GLU A 37 -2.713 -3.194 0.704 1.00 0.00 N ATOM 559 CA GLU A 37 -2.598 -2.118 1.683 1.00 0.00 C ATOM 560 C GLU A 37 -1.515 -1.121 1.281 1.00 0.00 C ATOM 561 O GLU A 37 -0.710 -1.389 0.390 1.00 0.00 O ATOM 562 CB GLU A 37 -2.307 -2.682 3.077 1.00 0.00 C ATOM 563 CG GLU A 37 -1.755 -4.096 3.065 1.00 0.00 C ATOM 564 CD GLU A 37 -1.041 -4.456 4.354 1.00 0.00 C ATOM 565 OE1 GLU A 37 -1.333 -3.823 5.391 1.00 0.00 O ATOM 566 OE2 GLU A 37 -0.190 -5.370 4.327 1.00 0.00 O ATOM 0 H GLU A 37 -1.835 -3.666 0.489 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.552 -1.592 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.595 -2.029 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.225 -2.666 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.571 -4.799 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.064 -4.205 2.229 1.00 0.00 H new ATOM 573 N ARG A 38 -1.507 0.032 1.942 1.00 0.00 N ATOM 574 CA ARG A 38 -0.528 1.075 1.653 1.00 0.00 C ATOM 575 C ARG A 38 -0.026 1.725 2.941 1.00 0.00 C ATOM 576 O ARG A 38 -0.486 1.397 4.034 1.00 0.00 O ATOM 577 CB ARG A 38 -1.141 2.136 0.737 1.00 0.00 C ATOM 578 CG ARG A 38 -1.757 1.562 -0.530 1.00 0.00 C ATOM 579 CD ARG A 38 -3.275 1.620 -0.490 1.00 0.00 C ATOM 580 NE ARG A 38 -3.854 1.745 -1.826 1.00 0.00 N ATOM 581 CZ ARG A 38 -4.034 0.720 -2.655 1.00 0.00 C ATOM 582 NH1 ARG A 38 -3.678 -0.507 -2.294 1.00 0.00 N ATOM 583 NH2 ARG A 38 -4.572 0.922 -3.850 1.00 0.00 N ATOM 0 H ARG A 38 -2.168 0.268 2.682 1.00 0.00 H new ATOM 0 HA ARG A 38 0.320 0.613 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.906 2.682 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.371 2.857 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.394 2.117 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.435 0.528 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.660 0.720 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.589 2.466 0.122 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.137 2.673 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.264 -0.669 -1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.819 -1.288 -2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.847 1.862 -4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.710 0.137 -4.486 1.00 0.00 H new ATOM 597 N GLY A 39 0.921 2.649 2.802 1.00 0.00 N ATOM 598 CA GLY A 39 1.469 3.331 3.962 1.00 0.00 C ATOM 599 C GLY A 39 2.604 4.269 3.602 1.00 0.00 C ATOM 600 O GLY A 39 2.812 4.582 2.429 1.00 0.00 O ATOM 0 H GLY A 39 1.318 2.937 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.678 3.896 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.827 2.592 4.679 1.00 0.00 H new ATOM 604 N CYS A 40 3.342 4.721 4.614 1.00 0.00 N ATOM 605 CA CYS A 40 4.462 5.630 4.400 1.00 0.00 C ATOM 606 C CYS A 40 5.769 5.008 4.884 1.00 0.00 C ATOM 607 O CYS A 40 6.059 5.001 6.081 1.00 0.00 O ATOM 608 CB CYS A 40 4.210 6.952 5.126 1.00 0.00 C ATOM 609 SG CYS A 40 3.507 8.259 4.068 1.00 0.00 S ATOM 0 H CYS A 40 3.183 4.471 5.590 1.00 0.00 H new ATOM 0 HA CYS A 40 4.549 5.820 3.330 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.533 6.772 5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.150 7.307 5.548 1.00 0.00 H new ATOM 614 N GLY A 41 6.551 4.482 3.947 1.00 0.00 N ATOM 615 CA GLY A 41 7.817 3.861 4.294 1.00 0.00 C ATOM 616 C GLY A 41 8.265 2.850 3.257 1.00 0.00 C ATOM 617 O GLY A 41 7.883 2.937 2.090 1.00 0.00 O ATOM 0 H GLY A 41 6.330 4.475 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.580 4.632 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.724 3.369 5.262 1.00 0.00 H new ATOM 621 N CYS A 42 9.079 1.887 3.680 1.00 0.00 N ATOM 622 CA CYS A 42 9.576 0.856 2.776 1.00 0.00 C ATOM 623 C CYS A 42 10.064 -0.366 3.553 1.00 0.00 C ATOM 624 O CYS A 42 11.249 -0.701 3.524 1.00 0.00 O ATOM 625 CB CYS A 42 10.704 1.413 1.905 1.00 0.00 C ATOM 626 SG CYS A 42 11.275 0.269 0.606 1.00 0.00 S ATOM 0 H CYS A 42 9.408 1.800 4.642 1.00 0.00 H new ATOM 0 HA CYS A 42 8.753 0.544 2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.365 2.337 1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.549 1.671 2.544 1.00 0.00 H new ATOM 631 N PRO A 43 9.152 -1.051 4.265 1.00 0.00 N ATOM 632 CA PRO A 43 9.491 -2.237 5.055 1.00 0.00 C ATOM 633 C PRO A 43 9.606 -3.496 4.199 1.00 0.00 C ATOM 634 O PRO A 43 9.653 -3.421 2.971 1.00 0.00 O ATOM 635 CB PRO A 43 8.311 -2.351 6.017 1.00 0.00 C ATOM 636 CG PRO A 43 7.157 -1.796 5.256 1.00 0.00 C ATOM 637 CD PRO A 43 7.716 -0.718 4.361 1.00 0.00 C ATOM 0 HA PRO A 43 10.460 -2.144 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.134 -3.387 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.490 -1.789 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.669 -2.574 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.406 -1.388 5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.238 -0.723 3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.563 0.274 4.786 1.00 0.00 H new ATOM 645 N LYS A 44 9.651 -4.652 4.856 1.00 0.00 N ATOM 646 CA LYS A 44 9.758 -5.928 4.155 1.00 0.00 C ATOM 647 C LYS A 44 8.428 -6.675 4.180 1.00 0.00 C ATOM 648 O LYS A 44 7.404 -6.124 4.580 1.00 0.00 O ATOM 649 CB LYS A 44 10.856 -6.789 4.786 1.00 0.00 C ATOM 650 CG LYS A 44 11.776 -7.441 3.767 1.00 0.00 C ATOM 651 CD LYS A 44 12.581 -8.572 4.387 1.00 0.00 C ATOM 652 CE LYS A 44 13.960 -8.101 4.822 1.00 0.00 C ATOM 653 NZ LYS A 44 13.951 -7.557 6.209 1.00 0.00 N ATOM 0 H LYS A 44 9.615 -4.731 5.872 1.00 0.00 H new ATOM 0 HA LYS A 44 10.019 -5.725 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.451 -6.170 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.393 -7.566 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.185 -7.826 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.454 -6.693 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.044 -8.973 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.683 -9.384 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.663 -8.932 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.315 -7.334 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.927 -7.373 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.409 -6.670 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.511 -8.248 6.850 1.00 0.00 H new ATOM 667 N VAL A 45 8.453 -7.933 3.748 1.00 0.00 N ATOM 668 CA VAL A 45 7.245 -8.752 3.721 1.00 0.00 C ATOM 669 C VAL A 45 7.574 -10.235 3.864 1.00 0.00 C ATOM 670 O VAL A 45 8.726 -10.645 3.716 1.00 0.00 O ATOM 671 CB VAL A 45 6.453 -8.540 2.417 1.00 0.00 C ATOM 672 CG1 VAL A 45 5.720 -7.207 2.448 1.00 0.00 C ATOM 673 CG2 VAL A 45 7.376 -8.621 1.211 1.00 0.00 C ATOM 0 H VAL A 45 9.293 -8.406 3.413 1.00 0.00 H new ATOM 0 HA VAL A 45 6.635 -8.437 4.568 1.00 0.00 H new ATOM 0 HB VAL A 45 5.712 -9.334 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.166 -7.075 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.027 -7.193 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.442 -6.398 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.798 -8.469 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.143 -7.850 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.850 -9.602 1.181 1.00 0.00 H new ATOM 683 N LYS A 46 6.551 -11.033 4.157 1.00 0.00 N ATOM 684 CA LYS A 46 6.712 -12.460 4.329 1.00 0.00 C ATOM 685 C LYS A 46 6.780 -13.163 2.971 1.00 0.00 C ATOM 686 O LYS A 46 6.667 -12.517 1.930 1.00 0.00 O ATOM 687 CB LYS A 46 5.551 -13.022 5.159 1.00 0.00 C ATOM 688 CG LYS A 46 5.072 -12.096 6.271 1.00 0.00 C ATOM 689 CD LYS A 46 3.562 -11.928 6.246 1.00 0.00 C ATOM 690 CE LYS A 46 2.851 -13.256 6.453 1.00 0.00 C ATOM 691 NZ LYS A 46 1.529 -13.081 7.115 1.00 0.00 N ATOM 0 H LYS A 46 5.594 -10.703 4.280 1.00 0.00 H new ATOM 0 HA LYS A 46 7.648 -12.643 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.714 -13.236 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.859 -13.970 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.378 -12.497 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.549 -11.122 6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.260 -11.227 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.258 -11.496 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.712 -13.748 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.476 -13.912 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.077 -14.009 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.663 -12.635 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.923 -12.476 6.525 1.00 0.00 H new ATOM 705 N PRO A 47 6.964 -14.497 2.957 1.00 0.00 N ATOM 706 CA PRO A 47 7.040 -15.260 1.723 1.00 0.00 C ATOM 707 C PRO A 47 5.661 -15.547 1.137 1.00 0.00 C ATOM 708 O PRO A 47 4.913 -16.377 1.654 1.00 0.00 O ATOM 709 CB PRO A 47 7.736 -16.560 2.134 1.00 0.00 C ATOM 710 CG PRO A 47 7.710 -16.627 3.617 1.00 0.00 C ATOM 711 CD PRO A 47 7.105 -15.357 4.137 1.00 0.00 C ATOM 0 HA PRO A 47 7.573 -14.716 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.227 -17.421 1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.762 -16.579 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.128 -17.487 3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.719 -16.755 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.140 -15.543 4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.743 -14.894 4.890 1.00 0.00 H new ATOM 719 N GLY A 48 5.333 -14.846 0.057 1.00 0.00 N ATOM 720 CA GLY A 48 4.046 -15.022 -0.588 1.00 0.00 C ATOM 721 C GLY A 48 3.397 -13.695 -0.916 1.00 0.00 C ATOM 722 O GLY A 48 2.887 -13.494 -2.018 1.00 0.00 O ATOM 0 H GLY A 48 5.940 -14.155 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.174 -15.600 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.388 -15.597 0.064 1.00 0.00 H new ATOM 726 N VAL A 49 3.426 -12.788 0.050 1.00 0.00 N ATOM 727 CA VAL A 49 2.852 -11.463 -0.114 1.00 0.00 C ATOM 728 C VAL A 49 3.798 -10.554 -0.893 1.00 0.00 C ATOM 729 O VAL A 49 5.015 -10.614 -0.721 1.00 0.00 O ATOM 730 CB VAL A 49 2.542 -10.837 1.260 1.00 0.00 C ATOM 731 CG1 VAL A 49 3.750 -10.931 2.175 1.00 0.00 C ATOM 732 CG2 VAL A 49 2.086 -9.392 1.118 1.00 0.00 C ATOM 0 H VAL A 49 3.846 -12.950 0.965 1.00 0.00 H new ATOM 0 HA VAL A 49 1.924 -11.566 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 49 1.724 -11.402 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.511 -10.484 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.018 -11.978 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.589 -10.399 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.875 -8.978 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.872 -8.808 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.184 -9.354 0.508 1.00 0.00 H new ATOM 742 N ASN A 50 3.230 -9.714 -1.754 1.00 0.00 N ATOM 743 CA ASN A 50 4.026 -8.797 -2.563 1.00 0.00 C ATOM 744 C ASN A 50 4.069 -7.406 -1.938 1.00 0.00 C ATOM 745 O ASN A 50 3.194 -7.035 -1.157 1.00 0.00 O ATOM 746 CB ASN A 50 3.461 -8.708 -3.983 1.00 0.00 C ATOM 747 CG ASN A 50 3.057 -10.063 -4.534 1.00 0.00 C ATOM 748 OD1 ASN A 50 3.903 -10.855 -4.951 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.757 -10.335 -4.538 1.00 0.00 N ATOM 0 H ASN A 50 2.224 -9.650 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 50 5.042 -9.189 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.595 -8.046 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.207 -8.260 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.424 -11.230 -4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.091 -9.649 -4.183 1.00 0.00 H new ATOM 756 N LEU A 51 5.100 -6.646 -2.291 1.00 0.00 N ATOM 757 CA LEU A 51 5.275 -5.296 -1.775 1.00 0.00 C ATOM 758 C LEU A 51 6.211 -4.500 -2.683 1.00 0.00 C ATOM 759 O LEU A 51 7.136 -5.058 -3.271 1.00 0.00 O ATOM 760 CB LEU A 51 5.837 -5.354 -0.351 1.00 0.00 C ATOM 761 CG LEU A 51 6.414 -4.043 0.185 1.00 0.00 C ATOM 762 CD1 LEU A 51 5.298 -3.108 0.616 1.00 0.00 C ATOM 763 CD2 LEU A 51 7.362 -4.320 1.340 1.00 0.00 C ATOM 0 H LEU A 51 5.831 -6.946 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 51 4.307 -4.796 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.044 -5.683 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.618 -6.114 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 51 6.976 -3.556 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.727 -2.180 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.656 -2.889 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.709 -3.582 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.766 -3.379 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.822 -4.826 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.179 -4.955 0.996 1.00 0.00 H new ATOM 775 N ASN A 52 5.970 -3.197 -2.794 1.00 0.00 N ATOM 776 CA ASN A 52 6.805 -2.345 -3.635 1.00 0.00 C ATOM 777 C ASN A 52 6.774 -0.889 -3.168 1.00 0.00 C ATOM 778 O ASN A 52 5.709 -0.274 -3.083 1.00 0.00 O ATOM 779 CB ASN A 52 6.368 -2.453 -5.104 1.00 0.00 C ATOM 780 CG ASN A 52 5.231 -1.510 -5.464 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.354 -0.693 -6.375 1.00 0.00 O ATOM 782 ND2 ASN A 52 4.116 -1.619 -4.750 1.00 0.00 N ATOM 0 H ASN A 52 5.210 -2.711 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 52 7.834 -2.695 -3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.223 -2.242 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.060 -3.478 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.321 -1.012 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.055 -2.310 -4.002 1.00 0.00 H new ATOM 789 N CYS A 53 7.951 -0.347 -2.870 1.00 0.00 N ATOM 790 CA CYS A 53 8.074 1.029 -2.417 1.00 0.00 C ATOM 791 C CYS A 53 8.190 1.980 -3.604 1.00 0.00 C ATOM 792 O CYS A 53 8.602 1.582 -4.694 1.00 0.00 O ATOM 793 CB CYS A 53 9.302 1.172 -1.518 1.00 0.00 C ATOM 794 SG CYS A 53 9.573 -0.229 -0.383 1.00 0.00 S ATOM 0 H CYS A 53 8.838 -0.847 -2.936 1.00 0.00 H new ATOM 0 HA CYS A 53 7.179 1.288 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.185 1.291 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.203 2.085 -0.931 1.00 0.00 H new ATOM 799 N CYS A 54 7.825 3.238 -3.384 1.00 0.00 N ATOM 800 CA CYS A 54 7.887 4.249 -4.433 1.00 0.00 C ATOM 801 C CYS A 54 7.895 5.639 -3.847 1.00 0.00 C ATOM 802 O CYS A 54 7.466 5.865 -2.717 1.00 0.00 O ATOM 803 CB CYS A 54 6.722 4.097 -5.409 1.00 0.00 C ATOM 804 SG CYS A 54 5.140 3.663 -4.617 1.00 0.00 S ATOM 0 H CYS A 54 7.483 3.583 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 54 8.818 4.099 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.597 5.031 -5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.973 3.329 -6.140 1.00 0.00 H new ATOM 809 N ARG A 55 8.424 6.558 -4.627 1.00 0.00 N ATOM 810 CA ARG A 55 8.549 7.932 -4.215 1.00 0.00 C ATOM 811 C ARG A 55 7.803 8.868 -5.163 1.00 0.00 C ATOM 812 O ARG A 55 8.301 9.939 -5.511 1.00 0.00 O ATOM 813 CB ARG A 55 10.032 8.286 -4.163 1.00 0.00 C ATOM 814 CG ARG A 55 10.968 7.116 -4.442 1.00 0.00 C ATOM 815 CD ARG A 55 12.381 7.407 -3.963 1.00 0.00 C ATOM 816 NE ARG A 55 12.696 6.698 -2.725 1.00 0.00 N ATOM 817 CZ ARG A 55 13.934 6.499 -2.279 1.00 0.00 C ATOM 818 NH1 ARG A 55 14.976 6.954 -2.963 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.132 5.843 -1.143 1.00 0.00 N ATOM 0 H ARG A 55 8.778 6.369 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 55 8.101 8.055 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.230 9.075 -4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.262 8.693 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.592 6.221 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.981 6.906 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.093 7.119 -4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.497 8.479 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 55 11.922 6.334 -2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.831 7.460 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.922 6.798 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.336 5.491 -0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.081 5.690 -0.801 1.00 0.00 H new ATOM 833 N THR A 56 6.607 8.462 -5.575 1.00 0.00 N ATOM 834 CA THR A 56 5.797 9.270 -6.478 1.00 0.00 C ATOM 835 C THR A 56 4.404 9.502 -5.900 1.00 0.00 C ATOM 836 O THR A 56 3.910 8.702 -5.104 1.00 0.00 O ATOM 837 CB THR A 56 5.688 8.592 -7.845 1.00 0.00 C ATOM 838 OG1 THR A 56 5.852 7.191 -7.723 1.00 0.00 O ATOM 839 CG2 THR A 56 6.713 9.090 -8.842 1.00 0.00 C ATOM 0 H THR A 56 6.178 7.579 -5.298 1.00 0.00 H new ATOM 0 HA THR A 56 6.287 10.236 -6.598 1.00 0.00 H new ATOM 0 HB THR A 56 4.694 8.842 -8.215 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.777 6.775 -8.607 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.581 8.569 -9.790 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.581 10.161 -8.995 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.716 8.899 -8.459 1.00 0.00 H new ATOM 847 N ASP A 57 3.774 10.600 -6.303 1.00 0.00 N ATOM 848 CA ASP A 57 2.442 10.934 -5.828 1.00 0.00 C ATOM 849 C ASP A 57 1.427 9.899 -6.300 1.00 0.00 C ATOM 850 O ASP A 57 1.329 9.612 -7.494 1.00 0.00 O ATOM 851 CB ASP A 57 2.042 12.324 -6.322 1.00 0.00 C ATOM 852 CG ASP A 57 2.301 12.509 -7.804 1.00 0.00 C ATOM 853 OD1 ASP A 57 3.461 12.325 -8.232 1.00 0.00 O ATOM 854 OD2 ASP A 57 1.345 12.838 -8.537 1.00 0.00 O ATOM 0 H ASP A 57 4.168 11.274 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 57 2.454 10.933 -4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.984 12.488 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.595 13.078 -5.763 1.00 0.00 H new ATOM 859 N ARG A 58 0.674 9.338 -5.359 1.00 0.00 N ATOM 860 CA ARG A 58 -0.330 8.333 -5.684 1.00 0.00 C ATOM 861 C ARG A 58 0.315 7.116 -6.341 1.00 0.00 C ATOM 862 O ARG A 58 -0.314 6.423 -7.140 1.00 0.00 O ATOM 863 CB ARG A 58 -1.392 8.926 -6.612 1.00 0.00 C ATOM 864 CG ARG A 58 -2.010 10.209 -6.083 1.00 0.00 C ATOM 865 CD ARG A 58 -2.907 10.865 -7.120 1.00 0.00 C ATOM 866 NE ARG A 58 -2.825 12.323 -7.070 1.00 0.00 N ATOM 867 CZ ARG A 58 -3.203 13.122 -8.066 1.00 0.00 C ATOM 868 NH1 ARG A 58 -3.688 12.610 -9.190 1.00 0.00 N ATOM 869 NH2 ARG A 58 -3.095 14.437 -7.937 1.00 0.00 N ATOM 0 H ARG A 58 0.741 9.563 -4.366 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.806 8.014 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.943 9.123 -7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.180 8.189 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.589 9.992 -5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.220 10.902 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.624 10.520 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.939 10.554 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.457 12.754 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.773 11.599 -9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.976 13.227 -9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.723 14.836 -7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.384 15.050 -8.699 1.00 0.00 H new ATOM 883 N CYS A 59 1.576 6.868 -6.003 1.00 0.00 N ATOM 884 CA CYS A 59 2.315 5.745 -6.559 1.00 0.00 C ATOM 885 C CYS A 59 1.759 4.409 -6.063 1.00 0.00 C ATOM 886 O CYS A 59 2.009 3.364 -6.663 1.00 0.00 O ATOM 887 CB CYS A 59 3.794 5.869 -6.193 1.00 0.00 C ATOM 888 SG CYS A 59 4.182 5.446 -4.463 1.00 0.00 S ATOM 0 H CYS A 59 2.108 7.434 -5.343 1.00 0.00 H new ATOM 0 HA CYS A 59 2.205 5.768 -7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.374 5.222 -6.851 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.118 6.892 -6.385 1.00 0.00 H new ATOM 893 N ASN A 60 1.011 4.448 -4.963 1.00 0.00 N ATOM 894 CA ASN A 60 0.430 3.237 -4.391 1.00 0.00 C ATOM 895 C ASN A 60 -1.082 3.215 -4.583 1.00 0.00 C ATOM 896 O ASN A 60 -1.812 2.649 -3.769 1.00 0.00 O ATOM 897 CB ASN A 60 0.770 3.142 -2.903 1.00 0.00 C ATOM 898 CG ASN A 60 0.381 4.394 -2.141 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.230 5.307 -2.696 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.735 4.442 -0.862 1.00 0.00 N ATOM 0 H ASN A 60 0.794 5.303 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 60 0.854 2.378 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.258 2.283 -2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.840 2.967 -2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.501 5.259 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.241 3.662 -0.443 1.00 0.00 H new ATOM 907 N ASN A 61 -1.546 3.834 -5.663 1.00 0.00 N ATOM 908 CA ASN A 61 -2.973 3.884 -5.960 1.00 0.00 C ATOM 909 C ASN A 61 -3.541 2.481 -6.154 1.00 0.00 C ATOM 910 O ASN A 61 -4.779 2.333 -6.104 1.00 0.00 O ATOM 911 CB ASN A 61 -3.243 4.736 -7.208 1.00 0.00 C ATOM 912 CG ASN A 61 -2.144 4.643 -8.255 1.00 0.00 C ATOM 913 OD1 ASN A 61 -1.839 5.624 -8.934 1.00 0.00 O ATOM 914 ND2 ASN A 61 -1.545 3.466 -8.394 1.00 0.00 N ATOM 915 OXT ASN A 61 -2.741 1.543 -6.355 1.00 0.00 O ATOM 0 H ASN A 61 -0.956 4.308 -6.347 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.471 4.345 -5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.187 4.423 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.362 5.777 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.802 3.350 -9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.828 2.678 -7.811 1.00 0.00 H new