USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 521 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -0.0998 K(o=-2.3,f=-2.9) USER MOD Set 1.2: A 10 ASN : amide:sc= -2.17! C(o=-2.3!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0152 (180deg=0) USER MOD Single : A 2 SER OG : rot 5:sc= 0.564 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 160:sc= -0.647 USER MOD Single : A 15 ASN : amide:sc=-0.00471 X(o=-0.0047,f=-0.078) USER MOD Single : A 21 ASN : amide:sc= -6.25! C(o=-6.3!,f=-10!) USER MOD Single : A 25 MET CE :methyl -150:sc= -0.829 (180deg=-2.68!) USER MOD Single : A 26 LYS NZ :NH3+ 127:sc= -0.164 (180deg=-0.582) USER MOD Single : A 28 SER OG : rot 98:sc= 0.128 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 47:sc= 0.532 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -177:sc= 0.0694 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 70 SER OG : rot -51:sc= 1.07 USER MOD Single : A 71 SER OG : rot 180:sc= 0.007 USER MOD Single : A 74 SER OG : rot 180:sc= -0.135 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.581 -11.738 -13.087 1.00 0.00 N ATOM 2 CA GLY A 1 4.307 -10.711 -14.076 1.00 0.00 C ATOM 3 C GLY A 1 3.045 -10.990 -14.867 1.00 0.00 C ATOM 4 O GLY A 1 2.063 -11.495 -14.324 1.00 0.00 O ATOM 0 H1 GLY A 1 4.943 -11.296 -12.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.705 -12.256 -12.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.291 -12.399 -13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.214 -9.746 -13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.152 -10.635 -14.761 1.00 0.00 H new ATOM 8 N SER A 2 3.071 -10.660 -16.154 1.00 0.00 N ATOM 9 CA SER A 2 1.917 -10.873 -17.021 1.00 0.00 C ATOM 10 C SER A 2 0.632 -10.420 -16.336 1.00 0.00 C ATOM 11 O SER A 2 -0.433 -11.001 -16.543 1.00 0.00 O ATOM 12 CB SER A 2 1.809 -12.350 -17.407 1.00 0.00 C ATOM 13 OG SER A 2 1.463 -13.146 -16.287 1.00 0.00 O ATOM 0 H SER A 2 3.878 -10.244 -16.620 1.00 0.00 H new ATOM 0 HA SER A 2 2.056 -10.278 -17.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.059 -12.471 -18.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.758 -12.691 -17.820 1.00 0.00 H new ATOM 0 HG SER A 2 1.284 -12.567 -15.517 1.00 0.00 H new ATOM 19 N SER A 3 0.740 -9.377 -15.520 1.00 0.00 N ATOM 20 CA SER A 3 -0.412 -8.846 -14.800 1.00 0.00 C ATOM 21 C SER A 3 -0.514 -7.334 -14.978 1.00 0.00 C ATOM 22 O SER A 3 0.497 -6.640 -15.076 1.00 0.00 O ATOM 23 CB SER A 3 -0.315 -9.191 -13.313 1.00 0.00 C ATOM 24 OG SER A 3 0.890 -8.698 -12.753 1.00 0.00 O ATOM 0 H SER A 3 1.614 -8.882 -15.341 1.00 0.00 H new ATOM 0 HA SER A 3 -1.310 -9.304 -15.213 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.167 -8.767 -12.782 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.365 -10.272 -13.183 1.00 0.00 H new ATOM 0 HG SER A 3 0.927 -8.930 -11.802 1.00 0.00 H new ATOM 30 N GLY A 4 -1.744 -6.831 -15.018 1.00 0.00 N ATOM 31 CA GLY A 4 -1.957 -5.405 -15.184 1.00 0.00 C ATOM 32 C GLY A 4 -3.408 -5.009 -14.993 1.00 0.00 C ATOM 33 O GLY A 4 -4.017 -4.409 -15.879 1.00 0.00 O ATOM 0 H GLY A 4 -2.597 -7.385 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.339 -4.863 -14.469 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.630 -5.105 -16.180 1.00 0.00 H new ATOM 37 N SER A 5 -3.964 -5.347 -13.834 1.00 0.00 N ATOM 38 CA SER A 5 -5.355 -5.029 -13.532 1.00 0.00 C ATOM 39 C SER A 5 -5.699 -3.614 -13.987 1.00 0.00 C ATOM 40 O SER A 5 -6.735 -3.385 -14.612 1.00 0.00 O ATOM 41 CB SER A 5 -5.619 -5.172 -12.032 1.00 0.00 C ATOM 42 OG SER A 5 -4.624 -4.507 -11.273 1.00 0.00 O ATOM 0 H SER A 5 -3.473 -5.841 -13.089 1.00 0.00 H new ATOM 0 HA SER A 5 -5.989 -5.731 -14.074 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.599 -4.761 -11.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.641 -6.228 -11.763 1.00 0.00 H new ATOM 0 HG SER A 5 -4.817 -4.612 -10.318 1.00 0.00 H new ATOM 48 N SER A 6 -4.822 -2.667 -13.669 1.00 0.00 N ATOM 49 CA SER A 6 -5.034 -1.273 -14.041 1.00 0.00 C ATOM 50 C SER A 6 -6.511 -0.904 -13.948 1.00 0.00 C ATOM 51 O SER A 6 -7.078 -0.327 -14.875 1.00 0.00 O ATOM 52 CB SER A 6 -4.521 -1.018 -15.460 1.00 0.00 C ATOM 53 OG SER A 6 -3.116 -0.833 -15.469 1.00 0.00 O ATOM 0 H SER A 6 -3.958 -2.840 -13.155 1.00 0.00 H new ATOM 0 HA SER A 6 -4.477 -0.648 -13.343 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.784 -1.859 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.010 -0.136 -15.874 1.00 0.00 H new ATOM 0 HG SER A 6 -2.813 -0.674 -16.387 1.00 0.00 H new ATOM 59 N GLY A 7 -7.129 -1.242 -12.820 1.00 0.00 N ATOM 60 CA GLY A 7 -8.535 -0.939 -12.626 1.00 0.00 C ATOM 61 C GLY A 7 -8.895 -0.772 -11.163 1.00 0.00 C ATOM 62 O GLY A 7 -8.263 -1.365 -10.288 1.00 0.00 O ATOM 0 H GLY A 7 -6.681 -1.720 -12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.784 -0.025 -13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.139 -1.738 -13.057 1.00 0.00 H new ATOM 66 N HIS A 8 -9.913 0.040 -10.894 1.00 0.00 N ATOM 67 CA HIS A 8 -10.355 0.285 -9.526 1.00 0.00 C ATOM 68 C HIS A 8 -11.443 -0.705 -9.121 1.00 0.00 C ATOM 69 O HIS A 8 -12.359 -0.989 -9.895 1.00 0.00 O ATOM 70 CB HIS A 8 -10.874 1.716 -9.384 1.00 0.00 C ATOM 71 CG HIS A 8 -10.960 2.184 -7.964 1.00 0.00 C ATOM 72 ND1 HIS A 8 -10.031 1.846 -7.002 1.00 0.00 N ATOM 73 CD2 HIS A 8 -11.873 2.968 -7.344 1.00 0.00 C ATOM 74 CE1 HIS A 8 -10.369 2.402 -5.852 1.00 0.00 C ATOM 75 NE2 HIS A 8 -11.483 3.089 -6.033 1.00 0.00 N ATOM 0 H HIS A 8 -10.447 0.539 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.500 0.149 -8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.220 2.388 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.862 1.782 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.746 3.415 -7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.827 2.310 -4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -11.974 3.623 -5.315 1.00 0.00 H new ATOM 83 N LEU A 9 -11.336 -1.229 -7.905 1.00 0.00 N ATOM 84 CA LEU A 9 -12.311 -2.189 -7.398 1.00 0.00 C ATOM 85 C LEU A 9 -12.481 -2.046 -5.889 1.00 0.00 C ATOM 86 O LEU A 9 -11.540 -2.258 -5.125 1.00 0.00 O ATOM 87 CB LEU A 9 -11.877 -3.616 -7.740 1.00 0.00 C ATOM 88 CG LEU A 9 -12.705 -4.738 -7.113 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.493 -6.042 -7.866 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.350 -4.905 -5.643 1.00 0.00 C ATOM 0 H LEU A 9 -10.585 -1.006 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.269 -1.983 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.905 -3.733 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.839 -3.742 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.759 -4.469 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.090 -6.829 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.798 -5.916 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.439 -6.317 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.949 -5.708 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.292 -5.151 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.554 -3.975 -5.112 1.00 0.00 H new ATOM 102 N ASN A 10 -13.688 -1.685 -5.466 1.00 0.00 N ATOM 103 CA ASN A 10 -13.983 -1.515 -4.048 1.00 0.00 C ATOM 104 C ASN A 10 -15.479 -1.648 -3.783 1.00 0.00 C ATOM 105 O ASN A 10 -16.285 -0.878 -4.307 1.00 0.00 O ATOM 106 CB ASN A 10 -13.487 -0.152 -3.563 1.00 0.00 C ATOM 107 CG ASN A 10 -13.604 0.920 -4.630 1.00 0.00 C ATOM 108 OD1 ASN A 10 -13.237 0.703 -5.785 1.00 0.00 O ATOM 109 ND2 ASN A 10 -14.116 2.083 -4.247 1.00 0.00 N ATOM 0 H ASN A 10 -14.478 -1.504 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.464 -2.300 -3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.060 0.149 -2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.446 -0.237 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.219 2.842 -4.921 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.407 2.218 -3.279 1.00 0.00 H new ATOM 116 N THR A 11 -15.846 -2.630 -2.966 1.00 0.00 N ATOM 117 CA THR A 11 -17.245 -2.865 -2.632 1.00 0.00 C ATOM 118 C THR A 11 -17.640 -2.117 -1.363 1.00 0.00 C ATOM 119 O THR A 11 -17.007 -2.271 -0.318 1.00 0.00 O ATOM 120 CB THR A 11 -17.532 -4.366 -2.439 1.00 0.00 C ATOM 121 OG1 THR A 11 -16.744 -5.137 -3.353 1.00 0.00 O ATOM 122 CG2 THR A 11 -19.007 -4.667 -2.656 1.00 0.00 C ATOM 0 H THR A 11 -15.193 -3.276 -2.523 1.00 0.00 H new ATOM 0 HA THR A 11 -17.837 -2.494 -3.469 1.00 0.00 H new ATOM 0 HB THR A 11 -17.269 -4.635 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.931 -6.090 -3.223 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.185 -5.733 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.603 -4.101 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.291 -4.383 -3.669 1.00 0.00 H new ATOM 130 N CYS A 12 -18.689 -1.308 -1.462 1.00 0.00 N ATOM 131 CA CYS A 12 -19.168 -0.536 -0.321 1.00 0.00 C ATOM 132 C CYS A 12 -19.664 -1.456 0.789 1.00 0.00 C ATOM 133 O CYS A 12 -20.492 -2.336 0.556 1.00 0.00 O ATOM 134 CB CYS A 12 -20.290 0.410 -0.755 1.00 0.00 C ATOM 135 SG CYS A 12 -19.789 1.630 -1.992 1.00 0.00 S ATOM 0 H CYS A 12 -19.224 -1.170 -2.320 1.00 0.00 H new ATOM 0 HA CYS A 12 -18.335 0.051 0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -21.114 -0.180 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -20.670 0.933 0.123 1.00 0.00 H new ATOM 0 HG CYS A 12 -20.805 2.382 -2.297 1.00 0.00 H new ATOM 141 N SER A 13 -19.149 -1.248 1.997 1.00 0.00 N ATOM 142 CA SER A 13 -19.535 -2.063 3.143 1.00 0.00 C ATOM 143 C SER A 13 -20.389 -1.258 4.118 1.00 0.00 C ATOM 144 O SER A 13 -20.383 -0.027 4.098 1.00 0.00 O ATOM 145 CB SER A 13 -18.292 -2.598 3.857 1.00 0.00 C ATOM 146 OG SER A 13 -18.638 -3.231 5.077 1.00 0.00 O ATOM 0 H SER A 13 -18.464 -0.522 2.207 1.00 0.00 H new ATOM 0 HA SER A 13 -20.125 -2.904 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.774 -3.306 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.600 -1.779 4.052 1.00 0.00 H new ATOM 0 HG SER A 13 -17.912 -3.830 5.352 1.00 0.00 H new ATOM 152 N PHE A 14 -21.124 -1.963 4.972 1.00 0.00 N ATOM 153 CA PHE A 14 -21.985 -1.316 5.955 1.00 0.00 C ATOM 154 C PHE A 14 -21.539 -1.655 7.375 1.00 0.00 C ATOM 155 O PHE A 14 -20.820 -2.628 7.595 1.00 0.00 O ATOM 156 CB PHE A 14 -23.440 -1.744 5.751 1.00 0.00 C ATOM 157 CG PHE A 14 -23.604 -3.218 5.513 1.00 0.00 C ATOM 158 CD1 PHE A 14 -23.665 -4.102 6.579 1.00 0.00 C ATOM 159 CD2 PHE A 14 -23.698 -3.719 4.225 1.00 0.00 C ATOM 160 CE1 PHE A 14 -23.815 -5.459 6.363 1.00 0.00 C ATOM 161 CE2 PHE A 14 -23.849 -5.075 4.003 1.00 0.00 C ATOM 162 CZ PHE A 14 -23.908 -5.946 5.074 1.00 0.00 C ATOM 0 H PHE A 14 -21.140 -2.982 5.003 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.907 -0.238 5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.021 -1.459 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.855 -1.199 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.595 -3.726 7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.653 -3.042 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -23.859 -6.138 7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -23.921 -5.453 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.027 -7.006 4.903 1.00 0.00 H new ATOM 172 N ASN A 15 -21.971 -0.842 8.334 1.00 0.00 N ATOM 173 CA ASN A 15 -21.615 -1.053 9.732 1.00 0.00 C ATOM 174 C ASN A 15 -20.105 -0.957 9.931 1.00 0.00 C ATOM 175 O ASN A 15 -19.523 -1.703 10.718 1.00 0.00 O ATOM 176 CB ASN A 15 -22.117 -2.419 10.207 1.00 0.00 C ATOM 177 CG ASN A 15 -22.308 -2.474 11.710 1.00 0.00 C ATOM 178 OD1 ASN A 15 -21.421 -2.911 12.444 1.00 0.00 O ATOM 179 ND2 ASN A 15 -23.469 -2.030 12.176 1.00 0.00 N ATOM 0 H ASN A 15 -22.568 -0.032 8.168 1.00 0.00 H new ATOM 0 HA ASN A 15 -22.092 -0.271 10.324 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -23.062 -2.647 9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -21.407 -3.189 9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.654 -2.042 13.179 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.176 -1.676 11.531 1.00 0.00 H new ATOM 186 N VAL A 16 -19.478 -0.032 9.211 1.00 0.00 N ATOM 187 CA VAL A 16 -18.036 0.164 9.309 1.00 0.00 C ATOM 188 C VAL A 16 -17.695 1.635 9.518 1.00 0.00 C ATOM 189 O VAL A 16 -18.583 2.485 9.589 1.00 0.00 O ATOM 190 CB VAL A 16 -17.314 -0.344 8.047 1.00 0.00 C ATOM 191 CG1 VAL A 16 -17.960 -1.626 7.542 1.00 0.00 C ATOM 192 CG2 VAL A 16 -17.315 0.725 6.965 1.00 0.00 C ATOM 0 H VAL A 16 -19.945 0.593 8.554 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.696 -0.411 10.170 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.278 -0.564 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.437 -1.970 6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.901 -2.392 8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.005 -1.435 7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.801 0.348 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -18.343 0.980 6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -16.802 1.614 7.332 1.00 0.00 H new ATOM 202 N ILE A 17 -16.402 1.929 9.616 1.00 0.00 N ATOM 203 CA ILE A 17 -15.943 3.298 9.815 1.00 0.00 C ATOM 204 C ILE A 17 -14.692 3.584 8.992 1.00 0.00 C ATOM 205 O ILE A 17 -13.930 2.683 8.641 1.00 0.00 O ATOM 206 CB ILE A 17 -15.643 3.580 11.299 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.957 2.373 11.942 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.925 3.925 12.043 1.00 0.00 C ATOM 209 CD1 ILE A 17 -14.594 2.587 13.395 1.00 0.00 C ATOM 0 H ILE A 17 -15.654 1.237 9.561 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.749 3.953 9.484 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.968 4.434 11.361 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.615 1.507 11.864 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.053 2.138 11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.696 4.122 13.090 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.377 4.811 11.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.622 3.089 11.974 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.112 1.691 13.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.911 3.432 13.479 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.497 2.792 13.969 1.00 0.00 H new ATOM 221 N PRO A 18 -14.473 4.869 8.676 1.00 0.00 N ATOM 222 CA PRO A 18 -13.313 5.304 7.892 1.00 0.00 C ATOM 223 C PRO A 18 -12.007 5.170 8.666 1.00 0.00 C ATOM 224 O PRO A 18 -11.980 5.313 9.889 1.00 0.00 O ATOM 225 CB PRO A 18 -13.614 6.777 7.602 1.00 0.00 C ATOM 226 CG PRO A 18 -14.517 7.204 8.707 1.00 0.00 C ATOM 227 CD PRO A 18 -15.340 5.995 9.060 1.00 0.00 C ATOM 0 HA PRO A 18 -13.176 4.698 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.701 7.372 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.092 6.899 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.944 7.551 9.567 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.154 8.031 8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.584 5.971 10.122 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.284 5.979 8.516 1.00 0.00 H new ATOM 235 N CYS A 19 -10.924 4.893 7.947 1.00 0.00 N ATOM 236 CA CYS A 19 -9.613 4.739 8.565 1.00 0.00 C ATOM 237 C CYS A 19 -9.082 6.083 9.057 1.00 0.00 C ATOM 238 O CYS A 19 -9.141 7.095 8.359 1.00 0.00 O ATOM 239 CB CYS A 19 -8.626 4.122 7.572 1.00 0.00 C ATOM 240 SG CYS A 19 -6.953 3.867 8.247 1.00 0.00 S ATOM 0 H CYS A 19 -10.929 4.771 6.934 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.720 4.074 9.422 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.019 3.164 7.233 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.558 4.767 6.696 1.00 0.00 H new ATOM 245 N PRO A 20 -8.551 6.094 10.289 1.00 0.00 N ATOM 246 CA PRO A 20 -7.999 7.306 10.902 1.00 0.00 C ATOM 247 C PRO A 20 -6.704 7.755 10.233 1.00 0.00 C ATOM 248 O PRO A 20 -6.369 8.939 10.242 1.00 0.00 O ATOM 249 CB PRO A 20 -7.735 6.883 12.349 1.00 0.00 C ATOM 250 CG PRO A 20 -7.551 5.406 12.284 1.00 0.00 C ATOM 251 CD PRO A 20 -8.449 4.925 11.178 1.00 0.00 C ATOM 0 HA PRO A 20 -8.676 8.155 10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.849 7.375 12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.569 7.150 12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.511 5.151 12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.815 4.938 13.232 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.025 4.064 10.662 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.425 4.621 11.556 1.00 0.00 H new ATOM 259 N ASN A 21 -5.981 6.803 9.654 1.00 0.00 N ATOM 260 CA ASN A 21 -4.723 7.101 8.981 1.00 0.00 C ATOM 261 C ASN A 21 -4.945 8.052 7.808 1.00 0.00 C ATOM 262 O ASN A 21 -3.991 8.551 7.211 1.00 0.00 O ATOM 263 CB ASN A 21 -4.065 5.810 8.488 1.00 0.00 C ATOM 264 CG ASN A 21 -3.583 4.935 9.628 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.129 4.977 10.731 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.555 4.136 9.367 1.00 0.00 N ATOM 0 H ASN A 21 -6.245 5.818 9.637 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.062 7.586 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.777 5.251 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.222 6.058 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.187 3.524 10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.133 4.134 8.438 1.00 0.00 H new ATOM 273 N ARG A 22 -6.210 8.297 7.485 1.00 0.00 N ATOM 274 CA ARG A 22 -6.558 9.188 6.384 1.00 0.00 C ATOM 275 C ARG A 22 -6.398 8.480 5.041 1.00 0.00 C ATOM 276 O ARG A 22 -5.869 9.050 4.086 1.00 0.00 O ATOM 277 CB ARG A 22 -5.684 10.443 6.418 1.00 0.00 C ATOM 278 CG ARG A 22 -5.428 10.968 7.821 1.00 0.00 C ATOM 279 CD ARG A 22 -3.979 11.393 8.001 1.00 0.00 C ATOM 280 NE ARG A 22 -3.680 12.630 7.285 1.00 0.00 N ATOM 281 CZ ARG A 22 -2.486 13.213 7.293 1.00 0.00 C ATOM 282 NH1 ARG A 22 -1.486 12.674 7.976 1.00 0.00 N ATOM 283 NH2 ARG A 22 -2.291 14.338 6.616 1.00 0.00 N ATOM 0 H ARG A 22 -7.011 7.892 7.969 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.602 9.478 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.729 10.223 5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.162 11.225 5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.084 11.816 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.675 10.196 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.770 11.528 9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.321 10.600 7.645 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.428 13.070 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.632 11.809 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.571 13.124 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.058 14.756 6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.374 14.785 6.623 1.00 0.00 H new ATOM 297 N CYS A 23 -6.858 7.235 4.976 1.00 0.00 N ATOM 298 CA CYS A 23 -6.766 6.448 3.752 1.00 0.00 C ATOM 299 C CYS A 23 -8.148 5.996 3.290 1.00 0.00 C ATOM 300 O CYS A 23 -9.030 5.693 4.094 1.00 0.00 O ATOM 301 CB CYS A 23 -5.865 5.231 3.970 1.00 0.00 C ATOM 302 SG CYS A 23 -6.738 3.764 4.605 1.00 0.00 S ATOM 0 H CYS A 23 -7.299 6.749 5.757 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.332 7.079 2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.385 4.974 3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.072 5.500 4.668 1.00 0.00 H new ATOM 307 N PRO A 24 -8.342 5.947 1.964 1.00 0.00 N ATOM 308 CA PRO A 24 -9.614 5.531 1.365 1.00 0.00 C ATOM 309 C PRO A 24 -9.887 4.044 1.559 1.00 0.00 C ATOM 310 O PRO A 24 -9.950 3.284 0.593 1.00 0.00 O ATOM 311 CB PRO A 24 -9.428 5.852 -0.120 1.00 0.00 C ATOM 312 CG PRO A 24 -7.955 5.810 -0.335 1.00 0.00 C ATOM 313 CD PRO A 24 -7.335 6.293 0.947 1.00 0.00 C ATOM 0 HA PRO A 24 -10.465 6.037 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.941 5.125 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.836 6.832 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.624 4.799 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.665 6.445 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.382 5.802 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.142 7.365 0.921 1.00 0.00 H new ATOM 321 N MET A 25 -10.050 3.635 2.813 1.00 0.00 N ATOM 322 CA MET A 25 -10.319 2.238 3.132 1.00 0.00 C ATOM 323 C MET A 25 -11.003 2.112 4.489 1.00 0.00 C ATOM 324 O MET A 25 -10.453 2.516 5.514 1.00 0.00 O ATOM 325 CB MET A 25 -9.018 1.432 3.127 1.00 0.00 C ATOM 326 CG MET A 25 -8.832 0.587 1.877 1.00 0.00 C ATOM 327 SD MET A 25 -8.349 -1.110 2.252 1.00 0.00 S ATOM 328 CE MET A 25 -9.814 -1.701 3.096 1.00 0.00 C ATOM 0 H MET A 25 -10.000 4.251 3.624 1.00 0.00 H new ATOM 0 HA MET A 25 -10.988 1.840 2.369 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.175 2.117 3.221 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.000 0.782 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.761 0.579 1.307 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.073 1.045 1.243 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.532 -2.462 3.824 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.299 -0.870 3.609 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.504 -2.131 2.370 1.00 0.00 H new ATOM 338 N LYS A 26 -12.206 1.548 4.490 1.00 0.00 N ATOM 339 CA LYS A 26 -12.966 1.368 5.721 1.00 0.00 C ATOM 340 C LYS A 26 -13.082 -0.111 6.078 1.00 0.00 C ATOM 341 O LYS A 26 -13.491 -0.929 5.252 1.00 0.00 O ATOM 342 CB LYS A 26 -14.362 1.979 5.578 1.00 0.00 C ATOM 343 CG LYS A 26 -14.367 3.322 4.869 1.00 0.00 C ATOM 344 CD LYS A 26 -15.492 4.213 5.370 1.00 0.00 C ATOM 345 CE LYS A 26 -15.760 5.364 4.412 1.00 0.00 C ATOM 346 NZ LYS A 26 -16.210 4.881 3.077 1.00 0.00 N ATOM 0 H LYS A 26 -12.676 1.207 3.651 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.433 1.878 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.999 1.285 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.801 2.099 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.410 3.820 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.475 3.167 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.399 3.621 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.234 4.608 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.520 6.020 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.854 5.959 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.100 5.353 2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.483 5.099 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.362 3.853 3.113 1.00 0.00 H new ATOM 360 N LEU A 27 -12.721 -0.447 7.311 1.00 0.00 N ATOM 361 CA LEU A 27 -12.786 -1.828 7.777 1.00 0.00 C ATOM 362 C LEU A 27 -13.918 -2.011 8.783 1.00 0.00 C ATOM 363 O LEU A 27 -14.915 -2.674 8.497 1.00 0.00 O ATOM 364 CB LEU A 27 -11.455 -2.236 8.411 1.00 0.00 C ATOM 365 CG LEU A 27 -10.209 -1.543 7.860 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.264 -1.474 6.342 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.067 -0.149 8.454 1.00 0.00 C ATOM 0 H LEU A 27 -12.380 0.217 8.006 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.983 -2.467 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.511 -2.041 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.332 -3.312 8.289 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.335 -2.129 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.369 -0.977 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.317 -2.483 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.146 -0.912 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.175 0.329 8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.944 0.446 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.980 -0.223 9.538 1.00 0.00 H new ATOM 379 N SER A 28 -13.759 -1.416 9.961 1.00 0.00 N ATOM 380 CA SER A 28 -14.767 -1.514 11.010 1.00 0.00 C ATOM 381 C SER A 28 -14.180 -1.129 12.365 1.00 0.00 C ATOM 382 O SER A 28 -13.017 -0.738 12.461 1.00 0.00 O ATOM 383 CB SER A 28 -15.332 -2.934 11.071 1.00 0.00 C ATOM 384 OG SER A 28 -16.644 -2.984 10.537 1.00 0.00 O ATOM 0 H SER A 28 -12.941 -0.861 10.213 1.00 0.00 H new ATOM 0 HA SER A 28 -15.573 -0.820 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.684 -3.611 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.343 -3.280 12.104 1.00 0.00 H new ATOM 0 HG SER A 28 -16.607 -3.290 9.607 1.00 0.00 H new ATOM 390 N ARG A 29 -14.995 -1.242 13.409 1.00 0.00 N ATOM 391 CA ARG A 29 -14.559 -0.905 14.758 1.00 0.00 C ATOM 392 C ARG A 29 -13.905 -2.107 15.434 1.00 0.00 C ATOM 393 O ARG A 29 -13.749 -2.136 16.655 1.00 0.00 O ATOM 394 CB ARG A 29 -15.744 -0.419 15.594 1.00 0.00 C ATOM 395 CG ARG A 29 -16.889 0.135 14.762 1.00 0.00 C ATOM 396 CD ARG A 29 -17.913 0.850 15.630 1.00 0.00 C ATOM 397 NE ARG A 29 -18.851 -0.082 16.251 1.00 0.00 N ATOM 398 CZ ARG A 29 -19.848 -0.666 15.597 1.00 0.00 C ATOM 399 NH1 ARG A 29 -20.037 -0.416 14.309 1.00 0.00 N ATOM 400 NH2 ARG A 29 -20.659 -1.503 16.232 1.00 0.00 N ATOM 0 H ARG A 29 -15.961 -1.564 13.346 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.822 -0.105 14.685 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.114 -1.246 16.200 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.400 0.353 16.283 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.497 0.826 14.016 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.373 -0.678 14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -17.398 1.417 16.406 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.464 1.568 15.023 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.734 -0.296 17.241 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -19.416 0.227 13.818 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -20.804 -0.866 13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -20.517 -1.698 17.223 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -21.425 -1.951 15.729 1.00 0.00 H new ATOM 414 N ARG A 30 -13.524 -3.096 14.633 1.00 0.00 N ATOM 415 CA ARG A 30 -12.889 -4.300 15.153 1.00 0.00 C ATOM 416 C ARG A 30 -11.536 -4.533 14.487 1.00 0.00 C ATOM 417 O ARG A 30 -10.538 -4.790 15.160 1.00 0.00 O ATOM 418 CB ARG A 30 -13.793 -5.515 14.934 1.00 0.00 C ATOM 419 CG ARG A 30 -13.183 -6.822 15.413 1.00 0.00 C ATOM 420 CD ARG A 30 -14.060 -8.011 15.052 1.00 0.00 C ATOM 421 NE ARG A 30 -13.730 -9.194 15.842 1.00 0.00 N ATOM 422 CZ ARG A 30 -14.530 -10.248 15.956 1.00 0.00 C ATOM 423 NH1 ARG A 30 -15.701 -10.266 15.334 1.00 0.00 N ATOM 424 NH2 ARG A 30 -14.160 -11.288 16.693 1.00 0.00 N ATOM 0 H ARG A 30 -13.644 -3.087 13.620 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.729 -4.162 16.222 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.738 -5.353 15.453 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.023 -5.599 13.872 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.196 -6.948 14.969 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.044 -6.786 16.493 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.107 -7.750 15.209 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.944 -8.239 13.992 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.836 -9.212 16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.989 -9.469 14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.313 -11.077 15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.260 -11.279 17.173 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.776 -12.097 16.779 1.00 0.00 H new ATOM 438 N ASP A 31 -11.512 -4.441 13.162 1.00 0.00 N ATOM 439 CA ASP A 31 -10.282 -4.641 12.404 1.00 0.00 C ATOM 440 C ASP A 31 -9.516 -3.331 12.256 1.00 0.00 C ATOM 441 O ASP A 31 -8.487 -3.274 11.581 1.00 0.00 O ATOM 442 CB ASP A 31 -10.596 -5.222 11.025 1.00 0.00 C ATOM 443 CG ASP A 31 -11.116 -6.644 11.099 1.00 0.00 C ATOM 444 OD1 ASP A 31 -11.198 -7.187 12.220 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.441 -7.214 10.036 1.00 0.00 O ATOM 0 H ASP A 31 -12.330 -4.229 12.591 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.657 -5.346 12.952 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.336 -4.593 10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.696 -5.199 10.411 1.00 0.00 H new ATOM 450 N LEU A 32 -10.024 -2.279 12.889 1.00 0.00 N ATOM 451 CA LEU A 32 -9.388 -0.968 12.828 1.00 0.00 C ATOM 452 C LEU A 32 -7.963 -1.028 13.366 1.00 0.00 C ATOM 453 O LEU A 32 -7.013 -0.568 12.731 1.00 0.00 O ATOM 454 CB LEU A 32 -10.203 0.054 13.623 1.00 0.00 C ATOM 455 CG LEU A 32 -10.174 1.490 13.099 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.316 1.509 11.585 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.272 2.318 13.750 1.00 0.00 C ATOM 0 H LEU A 32 -10.875 -2.309 13.451 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.349 -0.659 11.783 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.240 -0.281 13.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.841 0.056 14.651 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.212 1.931 13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.293 2.539 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.494 0.952 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.263 1.049 11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.236 3.337 13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.243 1.878 13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.125 2.333 14.830 1.00 0.00 H new ATOM 469 N PRO A 33 -7.806 -1.610 14.564 1.00 0.00 N ATOM 470 CA PRO A 33 -6.499 -1.746 15.214 1.00 0.00 C ATOM 471 C PRO A 33 -5.600 -2.750 14.500 1.00 0.00 C ATOM 472 O PRO A 33 -4.410 -2.853 14.798 1.00 0.00 O ATOM 473 CB PRO A 33 -6.851 -2.247 16.617 1.00 0.00 C ATOM 474 CG PRO A 33 -8.164 -2.931 16.457 1.00 0.00 C ATOM 475 CD PRO A 33 -8.894 -2.179 15.378 1.00 0.00 C ATOM 0 HA PRO A 33 -5.941 -0.810 15.209 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.092 -2.932 16.995 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.918 -1.422 17.327 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.028 -3.977 16.180 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.727 -2.919 17.390 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.533 -2.838 14.791 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.535 -1.401 15.793 1.00 0.00 H new ATOM 483 N ALA A 34 -6.176 -3.488 13.557 1.00 0.00 N ATOM 484 CA ALA A 34 -5.425 -4.481 12.799 1.00 0.00 C ATOM 485 C ALA A 34 -5.215 -4.029 11.358 1.00 0.00 C ATOM 486 O ALA A 34 -4.709 -4.784 10.527 1.00 0.00 O ATOM 487 CB ALA A 34 -6.141 -5.823 12.834 1.00 0.00 C ATOM 0 H ALA A 34 -7.160 -3.417 13.300 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.445 -4.592 13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.569 -6.555 12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.234 -6.159 13.867 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.134 -5.717 12.396 1.00 0.00 H new ATOM 493 N HIS A 35 -5.607 -2.793 11.067 1.00 0.00 N ATOM 494 CA HIS A 35 -5.462 -2.240 9.725 1.00 0.00 C ATOM 495 C HIS A 35 -4.346 -1.200 9.684 1.00 0.00 C ATOM 496 O HIS A 35 -3.594 -1.119 8.712 1.00 0.00 O ATOM 497 CB HIS A 35 -6.777 -1.611 9.264 1.00 0.00 C ATOM 498 CG HIS A 35 -6.646 -0.795 8.016 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.399 -1.348 6.777 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.730 0.542 7.819 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.335 -0.387 5.873 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.533 0.770 6.479 1.00 0.00 N ATOM 0 H HIS A 35 -6.028 -2.155 11.743 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.201 -3.055 9.050 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.509 -2.401 9.096 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.167 -0.979 10.062 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.284 -2.344 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.917 1.290 8.575 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.152 -0.524 4.817 1.00 0.00 H new ATOM 510 N LEU A 36 -4.243 -0.407 10.745 1.00 0.00 N ATOM 511 CA LEU A 36 -3.219 0.629 10.830 1.00 0.00 C ATOM 512 C LEU A 36 -1.882 0.037 11.262 1.00 0.00 C ATOM 513 O LEU A 36 -0.872 0.739 11.318 1.00 0.00 O ATOM 514 CB LEU A 36 -3.649 1.719 11.812 1.00 0.00 C ATOM 515 CG LEU A 36 -5.153 1.981 11.909 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.446 3.022 12.978 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.704 2.427 10.562 1.00 0.00 C ATOM 0 H LEU A 36 -4.856 -0.461 11.558 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.098 1.069 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.282 1.452 12.803 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.156 2.649 11.530 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.647 1.051 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.521 3.195 13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.087 2.664 13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.941 3.954 12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.775 2.609 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.204 3.344 10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.528 1.648 9.821 1.00 0.00 H new ATOM 529 N GLN A 37 -1.883 -1.257 11.565 1.00 0.00 N ATOM 530 CA GLN A 37 -0.668 -1.942 11.991 1.00 0.00 C ATOM 531 C GLN A 37 0.179 -2.345 10.789 1.00 0.00 C ATOM 532 O GLN A 37 1.352 -1.983 10.693 1.00 0.00 O ATOM 533 CB GLN A 37 -1.019 -3.178 12.820 1.00 0.00 C ATOM 534 CG GLN A 37 0.011 -3.506 13.889 1.00 0.00 C ATOM 535 CD GLN A 37 1.096 -4.438 13.388 1.00 0.00 C ATOM 536 OE1 GLN A 37 0.850 -5.619 13.138 1.00 0.00 O ATOM 537 NE2 GLN A 37 2.306 -3.912 13.238 1.00 0.00 N ATOM 0 H GLN A 37 -2.711 -1.852 11.524 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.089 -1.253 12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.987 -3.023 13.296 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.124 -4.034 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.467 -2.582 14.244 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.490 -3.963 14.742 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.465 -2.929 13.457 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.076 -4.491 12.904 1.00 0.00 H new ATOM 546 N HIS A 38 -0.422 -3.098 9.873 1.00 0.00 N ATOM 547 CA HIS A 38 0.278 -3.551 8.676 1.00 0.00 C ATOM 548 C HIS A 38 -0.707 -3.832 7.545 1.00 0.00 C ATOM 549 O HIS A 38 -0.425 -4.624 6.645 1.00 0.00 O ATOM 550 CB HIS A 38 1.093 -4.808 8.981 1.00 0.00 C ATOM 551 CG HIS A 38 0.252 -6.006 9.296 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.554 -7.276 8.851 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.887 -6.124 10.017 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.363 -8.122 9.283 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.249 -7.448 9.994 1.00 0.00 N ATOM 0 H HIS A 38 -1.392 -3.407 9.937 1.00 0.00 H new ATOM 0 HA HIS A 38 0.954 -2.757 8.358 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.728 -5.035 8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.754 -4.607 9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.414 -5.325 10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.385 -9.184 9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.069 -7.847 10.452 1.00 0.00 H new ATOM 563 N ASP A 39 -1.862 -3.178 7.597 1.00 0.00 N ATOM 564 CA ASP A 39 -2.888 -3.357 6.576 1.00 0.00 C ATOM 565 C ASP A 39 -3.386 -2.009 6.064 1.00 0.00 C ATOM 566 O ASP A 39 -4.382 -1.935 5.344 1.00 0.00 O ATOM 567 CB ASP A 39 -4.059 -4.167 7.136 1.00 0.00 C ATOM 568 CG ASP A 39 -4.244 -5.488 6.416 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.864 -5.576 5.230 1.00 0.00 O ATOM 570 OD2 ASP A 39 -4.770 -6.435 7.039 1.00 0.00 O ATOM 0 H ASP A 39 -2.111 -2.519 8.335 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.445 -3.901 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.893 -4.355 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.974 -3.581 7.055 1.00 0.00 H new ATOM 575 N CYS A 40 -2.686 -0.943 6.441 1.00 0.00 N ATOM 576 CA CYS A 40 -3.057 0.403 6.022 1.00 0.00 C ATOM 577 C CYS A 40 -2.047 0.958 5.022 1.00 0.00 C ATOM 578 O CYS A 40 -0.837 0.938 5.247 1.00 0.00 O ATOM 579 CB CYS A 40 -3.152 1.329 7.235 1.00 0.00 C ATOM 580 SG CYS A 40 -3.687 3.025 6.836 1.00 0.00 S ATOM 0 H CYS A 40 -1.859 -0.986 7.036 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.032 0.351 5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.850 0.899 7.953 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.178 1.372 7.723 1.00 0.00 H new ATOM 585 N PRO A 41 -2.554 1.468 3.889 1.00 0.00 N ATOM 586 CA PRO A 41 -1.714 2.039 2.832 1.00 0.00 C ATOM 587 C PRO A 41 -1.071 3.357 3.252 1.00 0.00 C ATOM 588 O PRO A 41 0.103 3.603 2.974 1.00 0.00 O ATOM 589 CB PRO A 41 -2.698 2.267 1.682 1.00 0.00 C ATOM 590 CG PRO A 41 -4.025 2.415 2.342 1.00 0.00 C ATOM 591 CD PRO A 41 -3.987 1.525 3.553 1.00 0.00 C ATOM 0 HA PRO A 41 -0.881 1.385 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.439 3.158 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.694 1.429 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.206 3.452 2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.831 2.123 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.576 1.936 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.389 0.535 3.337 1.00 0.00 H new ATOM 599 N LYS A 42 -1.847 4.201 3.923 1.00 0.00 N ATOM 600 CA LYS A 42 -1.353 5.493 4.383 1.00 0.00 C ATOM 601 C LYS A 42 -0.646 5.358 5.728 1.00 0.00 C ATOM 602 O LYS A 42 -0.435 6.347 6.431 1.00 0.00 O ATOM 603 CB LYS A 42 -2.507 6.491 4.500 1.00 0.00 C ATOM 604 CG LYS A 42 -3.305 6.652 3.217 1.00 0.00 C ATOM 605 CD LYS A 42 -2.624 7.609 2.253 1.00 0.00 C ATOM 606 CE LYS A 42 -2.026 6.872 1.064 1.00 0.00 C ATOM 607 NZ LYS A 42 -0.865 7.603 0.485 1.00 0.00 N ATOM 0 H LYS A 42 -2.821 4.013 4.160 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.635 5.861 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.177 6.167 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.108 7.462 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.428 5.680 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.303 7.020 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.345 8.346 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.839 8.156 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.710 5.877 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.790 6.739 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.486 7.068 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.172 8.544 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.125 7.708 1.208 1.00 0.00 H new ATOM 621 N ARG A 43 -0.282 4.129 6.079 1.00 0.00 N ATOM 622 CA ARG A 43 0.402 3.866 7.340 1.00 0.00 C ATOM 623 C ARG A 43 1.561 4.837 7.543 1.00 0.00 C ATOM 624 O ARG A 43 2.036 5.027 8.662 1.00 0.00 O ATOM 625 CB ARG A 43 0.916 2.426 7.374 1.00 0.00 C ATOM 626 CG ARG A 43 1.642 2.008 6.105 1.00 0.00 C ATOM 627 CD ARG A 43 1.685 0.495 5.960 1.00 0.00 C ATOM 628 NE ARG A 43 2.936 -0.068 6.459 1.00 0.00 N ATOM 629 CZ ARG A 43 3.181 -0.292 7.745 1.00 0.00 C ATOM 630 NH1 ARG A 43 2.263 -0.002 8.658 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.344 -0.807 8.121 1.00 0.00 N ATOM 0 H ARG A 43 -0.449 3.300 5.509 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.314 4.008 8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.590 2.310 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.075 1.753 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.143 2.443 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.658 2.402 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.848 0.055 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.561 0.228 4.911 1.00 0.00 H new ATOM 0 HE ARG A 43 3.662 -0.302 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.367 0.394 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.453 -0.175 9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.052 -1.032 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.530 -0.978 9.109 1.00 0.00 H new ATOM 645 N ARG A 44 2.013 5.448 6.452 1.00 0.00 N ATOM 646 CA ARG A 44 3.117 6.397 6.510 1.00 0.00 C ATOM 647 C ARG A 44 4.453 5.670 6.637 1.00 0.00 C ATOM 648 O ARG A 44 5.243 5.955 7.538 1.00 0.00 O ATOM 649 CB ARG A 44 2.932 7.356 7.687 1.00 0.00 C ATOM 650 CG ARG A 44 1.504 7.847 7.854 1.00 0.00 C ATOM 651 CD ARG A 44 0.998 8.529 6.592 1.00 0.00 C ATOM 652 NE ARG A 44 1.788 9.710 6.255 1.00 0.00 N ATOM 653 CZ ARG A 44 1.744 10.309 5.070 1.00 0.00 C ATOM 654 NH1 ARG A 44 0.954 9.840 4.114 1.00 0.00 N ATOM 655 NH2 ARG A 44 2.493 11.380 4.839 1.00 0.00 N ATOM 0 H ARG A 44 1.631 5.302 5.518 1.00 0.00 H new ATOM 0 HA ARG A 44 3.121 6.969 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.245 6.857 8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.589 8.215 7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.855 7.006 8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.453 8.544 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.028 7.824 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.044 8.817 6.728 1.00 0.00 H new ATOM 0 HE ARG A 44 2.407 10.096 6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.377 9.017 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.923 10.303 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.103 11.744 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.459 11.840 3.929 1.00 0.00 H new ATOM 669 N LEU A 45 4.698 4.731 5.731 1.00 0.00 N ATOM 670 CA LEU A 45 5.938 3.962 5.742 1.00 0.00 C ATOM 671 C LEU A 45 6.392 3.641 4.321 1.00 0.00 C ATOM 672 O LEU A 45 5.836 2.761 3.664 1.00 0.00 O ATOM 673 CB LEU A 45 5.751 2.667 6.534 1.00 0.00 C ATOM 674 CG LEU A 45 6.060 2.746 8.030 1.00 0.00 C ATOM 675 CD1 LEU A 45 5.931 1.374 8.674 1.00 0.00 C ATOM 676 CD2 LEU A 45 7.453 3.315 8.258 1.00 0.00 C ATOM 0 H LEU A 45 4.055 4.483 4.979 1.00 0.00 H new ATOM 0 HA LEU A 45 6.707 4.567 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.719 2.336 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.386 1.899 6.092 1.00 0.00 H new ATOM 0 HG LEU A 45 5.336 3.414 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.154 1.449 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.914 1.004 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.632 0.684 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.655 3.364 9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.191 2.673 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.511 4.316 7.832 1.00 0.00 H new ATOM 688 N LYS A 46 7.407 4.359 3.853 1.00 0.00 N ATOM 689 CA LYS A 46 7.939 4.149 2.512 1.00 0.00 C ATOM 690 C LYS A 46 9.387 3.671 2.570 1.00 0.00 C ATOM 691 O LYS A 46 10.129 4.018 3.489 1.00 0.00 O ATOM 692 CB LYS A 46 7.850 5.442 1.698 1.00 0.00 C ATOM 693 CG LYS A 46 8.947 5.582 0.657 1.00 0.00 C ATOM 694 CD LYS A 46 8.904 6.942 -0.020 1.00 0.00 C ATOM 695 CE LYS A 46 10.289 7.392 -0.456 1.00 0.00 C ATOM 696 NZ LYS A 46 10.428 8.874 -0.419 1.00 0.00 N ATOM 0 H LYS A 46 7.878 5.092 4.383 1.00 0.00 H new ATOM 0 HA LYS A 46 7.340 3.379 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.881 5.482 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.895 6.293 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.919 5.441 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.840 4.798 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.245 6.897 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.480 7.677 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.039 6.941 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.486 7.034 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.386 9.141 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.730 9.304 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.265 9.214 0.550 1.00 0.00 H new ATOM 710 N CYS A 47 9.782 2.875 1.582 1.00 0.00 N ATOM 711 CA CYS A 47 11.141 2.350 1.520 1.00 0.00 C ATOM 712 C CYS A 47 12.144 3.469 1.256 1.00 0.00 C ATOM 713 O CYS A 47 11.911 4.340 0.418 1.00 0.00 O ATOM 714 CB CYS A 47 11.248 1.285 0.427 1.00 0.00 C ATOM 715 SG CYS A 47 12.857 0.431 0.377 1.00 0.00 S ATOM 0 H CYS A 47 9.180 2.579 0.813 1.00 0.00 H new ATOM 0 HA CYS A 47 11.374 1.897 2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.461 0.546 0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 47 11.067 1.753 -0.541 1.00 0.00 H new ATOM 720 N GLU A 48 13.261 3.437 1.976 1.00 0.00 N ATOM 721 CA GLU A 48 14.299 4.449 1.820 1.00 0.00 C ATOM 722 C GLU A 48 15.186 4.137 0.618 1.00 0.00 C ATOM 723 O GLU A 48 16.259 4.718 0.457 1.00 0.00 O ATOM 724 CB GLU A 48 15.152 4.536 3.088 1.00 0.00 C ATOM 725 CG GLU A 48 14.351 4.398 4.371 1.00 0.00 C ATOM 726 CD GLU A 48 13.405 5.561 4.597 1.00 0.00 C ATOM 727 OE1 GLU A 48 12.623 5.878 3.677 1.00 0.00 O ATOM 728 OE2 GLU A 48 13.448 6.155 5.695 1.00 0.00 O ATOM 0 H GLU A 48 13.470 2.722 2.673 1.00 0.00 H new ATOM 0 HA GLU A 48 13.812 5.410 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.912 3.755 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.676 5.491 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.779 3.470 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.036 4.322 5.216 1.00 0.00 H new ATOM 735 N PHE A 49 14.729 3.215 -0.223 1.00 0.00 N ATOM 736 CA PHE A 49 15.481 2.824 -1.410 1.00 0.00 C ATOM 737 C PHE A 49 14.643 3.015 -2.672 1.00 0.00 C ATOM 738 O PHE A 49 14.863 3.952 -3.441 1.00 0.00 O ATOM 739 CB PHE A 49 15.929 1.365 -1.299 1.00 0.00 C ATOM 740 CG PHE A 49 17.055 1.157 -0.327 1.00 0.00 C ATOM 741 CD1 PHE A 49 16.882 1.423 1.022 1.00 0.00 C ATOM 742 CD2 PHE A 49 18.287 0.696 -0.762 1.00 0.00 C ATOM 743 CE1 PHE A 49 17.916 1.232 1.919 1.00 0.00 C ATOM 744 CE2 PHE A 49 19.325 0.503 0.130 1.00 0.00 C ATOM 745 CZ PHE A 49 19.139 0.773 1.472 1.00 0.00 C ATOM 0 H PHE A 49 13.842 2.725 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 49 16.361 3.463 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 49 15.079 0.754 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 49 16.239 1.012 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 49 15.928 1.784 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.438 0.485 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 49 17.768 1.441 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 49 20.280 0.142 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 49 19.949 0.625 2.171 1.00 0.00 H new ATOM 755 N CYS A 50 13.682 2.121 -2.878 1.00 0.00 N ATOM 756 CA CYS A 50 12.812 2.189 -4.045 1.00 0.00 C ATOM 757 C CYS A 50 11.760 3.281 -3.877 1.00 0.00 C ATOM 758 O CYS A 50 11.081 3.656 -4.831 1.00 0.00 O ATOM 759 CB CYS A 50 12.128 0.839 -4.277 1.00 0.00 C ATOM 760 SG CYS A 50 11.111 0.272 -2.876 1.00 0.00 S ATOM 0 H CYS A 50 13.486 1.340 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 50 13.427 2.432 -4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.499 0.910 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.890 0.088 -4.486 1.00 0.00 H new ATOM 765 N GLY A 51 11.632 3.789 -2.654 1.00 0.00 N ATOM 766 CA GLY A 51 10.662 4.833 -2.383 1.00 0.00 C ATOM 767 C GLY A 51 9.257 4.442 -2.797 1.00 0.00 C ATOM 768 O GLY A 51 8.644 5.102 -3.637 1.00 0.00 O ATOM 0 H GLY A 51 12.183 3.496 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.672 5.066 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.953 5.741 -2.911 1.00 0.00 H new ATOM 772 N CYS A 52 8.747 3.366 -2.208 1.00 0.00 N ATOM 773 CA CYS A 52 7.406 2.886 -2.523 1.00 0.00 C ATOM 774 C CYS A 52 6.694 2.398 -1.265 1.00 0.00 C ATOM 775 O CYS A 52 7.099 1.407 -0.657 1.00 0.00 O ATOM 776 CB CYS A 52 7.474 1.760 -3.555 1.00 0.00 C ATOM 777 SG CYS A 52 8.396 2.185 -5.051 1.00 0.00 S ATOM 0 H CYS A 52 9.241 2.810 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 52 6.838 3.717 -2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.934 0.886 -3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.459 1.476 -3.835 1.00 0.00 H new ATOM 0 HG CYS A 52 9.523 2.744 -4.722 1.00 0.00 H new ATOM 783 N ASP A 53 5.634 3.100 -0.881 1.00 0.00 N ATOM 784 CA ASP A 53 4.866 2.739 0.304 1.00 0.00 C ATOM 785 C ASP A 53 4.807 1.224 0.472 1.00 0.00 C ATOM 786 O ASP A 53 4.797 0.480 -0.509 1.00 0.00 O ATOM 787 CB ASP A 53 3.450 3.310 0.215 1.00 0.00 C ATOM 788 CG ASP A 53 3.439 4.826 0.171 1.00 0.00 C ATOM 789 OD1 ASP A 53 3.553 5.452 1.246 1.00 0.00 O ATOM 790 OD2 ASP A 53 3.318 5.386 -0.938 1.00 0.00 O ATOM 0 H ASP A 53 5.287 3.923 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 53 5.366 3.164 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.959 2.920 -0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.870 2.970 1.073 1.00 0.00 H new ATOM 795 N PHE A 54 4.769 0.773 1.722 1.00 0.00 N ATOM 796 CA PHE A 54 4.713 -0.653 2.019 1.00 0.00 C ATOM 797 C PHE A 54 3.928 -0.912 3.302 1.00 0.00 C ATOM 798 O PHE A 54 3.584 0.020 4.029 1.00 0.00 O ATOM 799 CB PHE A 54 6.127 -1.225 2.148 1.00 0.00 C ATOM 800 CG PHE A 54 6.788 -1.493 0.827 1.00 0.00 C ATOM 801 CD1 PHE A 54 6.222 -2.373 -0.081 1.00 0.00 C ATOM 802 CD2 PHE A 54 7.978 -0.865 0.493 1.00 0.00 C ATOM 803 CE1 PHE A 54 6.828 -2.621 -1.298 1.00 0.00 C ATOM 804 CE2 PHE A 54 8.588 -1.109 -0.723 1.00 0.00 C ATOM 805 CZ PHE A 54 8.013 -1.989 -1.619 1.00 0.00 C ATOM 0 H PHE A 54 4.776 1.375 2.545 1.00 0.00 H new ATOM 0 HA PHE A 54 4.201 -1.150 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.742 -0.528 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.084 -2.153 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.296 -2.871 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.433 -0.178 1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.375 -3.308 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.514 -0.612 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.489 -2.182 -2.569 1.00 0.00 H new ATOM 815 N SER A 55 3.649 -2.183 3.572 1.00 0.00 N ATOM 816 CA SER A 55 2.901 -2.564 4.764 1.00 0.00 C ATOM 817 C SER A 55 3.847 -2.941 5.901 1.00 0.00 C ATOM 818 O SER A 55 5.060 -2.761 5.800 1.00 0.00 O ATOM 819 CB SER A 55 1.968 -3.736 4.453 1.00 0.00 C ATOM 820 OG SER A 55 1.548 -3.708 3.100 1.00 0.00 O ATOM 0 H SER A 55 3.930 -2.966 2.982 1.00 0.00 H new ATOM 0 HA SER A 55 2.305 -1.707 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.479 -4.676 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.098 -3.696 5.108 1.00 0.00 H new ATOM 0 HG SER A 55 0.954 -4.468 2.926 1.00 0.00 H new ATOM 826 N GLY A 56 3.281 -3.464 6.984 1.00 0.00 N ATOM 827 CA GLY A 56 4.086 -3.858 8.125 1.00 0.00 C ATOM 828 C GLY A 56 4.883 -5.121 7.865 1.00 0.00 C ATOM 829 O GLY A 56 6.109 -5.120 7.965 1.00 0.00 O ATOM 0 H GLY A 56 2.279 -3.622 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.769 -3.048 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.437 -4.013 8.987 1.00 0.00 H new ATOM 833 N GLU A 57 4.184 -6.201 7.532 1.00 0.00 N ATOM 834 CA GLU A 57 4.835 -7.478 7.259 1.00 0.00 C ATOM 835 C GLU A 57 5.709 -7.387 6.011 1.00 0.00 C ATOM 836 O GLU A 57 6.558 -8.244 5.772 1.00 0.00 O ATOM 837 CB GLU A 57 3.790 -8.581 7.084 1.00 0.00 C ATOM 838 CG GLU A 57 4.389 -9.971 6.951 1.00 0.00 C ATOM 839 CD GLU A 57 4.869 -10.529 8.277 1.00 0.00 C ATOM 840 OE1 GLU A 57 5.200 -9.726 9.174 1.00 0.00 O ATOM 841 OE2 GLU A 57 4.912 -11.769 8.417 1.00 0.00 O ATOM 0 H GLU A 57 3.168 -6.218 7.445 1.00 0.00 H new ATOM 0 HA GLU A 57 5.471 -7.722 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.112 -8.567 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.192 -8.366 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.644 -10.644 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.224 -9.937 6.252 1.00 0.00 H new ATOM 848 N ALA A 58 5.492 -6.342 5.219 1.00 0.00 N ATOM 849 CA ALA A 58 6.260 -6.137 3.997 1.00 0.00 C ATOM 850 C ALA A 58 7.550 -5.374 4.280 1.00 0.00 C ATOM 851 O ALA A 58 8.647 -5.911 4.126 1.00 0.00 O ATOM 852 CB ALA A 58 5.422 -5.397 2.965 1.00 0.00 C ATOM 0 H ALA A 58 4.791 -5.624 5.402 1.00 0.00 H new ATOM 0 HA ALA A 58 6.528 -7.115 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.008 -5.251 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.532 -5.982 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.125 -4.428 3.365 1.00 0.00 H new ATOM 858 N TYR A 59 7.410 -4.120 4.693 1.00 0.00 N ATOM 859 CA TYR A 59 8.565 -3.282 4.995 1.00 0.00 C ATOM 860 C TYR A 59 9.668 -4.095 5.664 1.00 0.00 C ATOM 861 O TYR A 59 10.853 -3.806 5.500 1.00 0.00 O ATOM 862 CB TYR A 59 8.154 -2.118 5.898 1.00 0.00 C ATOM 863 CG TYR A 59 9.104 -0.942 5.840 1.00 0.00 C ATOM 864 CD1 TYR A 59 10.212 -0.877 6.675 1.00 0.00 C ATOM 865 CD2 TYR A 59 8.893 0.103 4.948 1.00 0.00 C ATOM 866 CE1 TYR A 59 11.081 0.196 6.626 1.00 0.00 C ATOM 867 CE2 TYR A 59 9.758 1.178 4.891 1.00 0.00 C ATOM 868 CZ TYR A 59 10.850 1.220 5.732 1.00 0.00 C ATOM 869 OH TYR A 59 11.715 2.290 5.679 1.00 0.00 O ATOM 0 H TYR A 59 6.509 -3.661 4.826 1.00 0.00 H new ATOM 0 HA TYR A 59 8.950 -2.886 4.056 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.157 -1.783 5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.090 -2.472 6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.397 -1.679 7.374 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.038 0.074 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.936 0.232 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.580 1.981 4.192 1.00 0.00 H new ATOM 0 HH TYR A 59 11.385 2.946 5.030 1.00 0.00 H new ATOM 879 N GLU A 60 9.269 -5.114 6.419 1.00 0.00 N ATOM 880 CA GLU A 60 10.224 -5.969 7.114 1.00 0.00 C ATOM 881 C GLU A 60 10.873 -6.957 6.148 1.00 0.00 C ATOM 882 O GLU A 60 12.087 -6.938 5.948 1.00 0.00 O ATOM 883 CB GLU A 60 9.531 -6.728 8.248 1.00 0.00 C ATOM 884 CG GLU A 60 9.261 -5.875 9.475 1.00 0.00 C ATOM 885 CD GLU A 60 10.510 -5.623 10.297 1.00 0.00 C ATOM 886 OE1 GLU A 60 11.423 -4.937 9.792 1.00 0.00 O ATOM 887 OE2 GLU A 60 10.574 -6.111 11.445 1.00 0.00 O ATOM 0 H GLU A 60 8.292 -5.367 6.565 1.00 0.00 H new ATOM 0 HA GLU A 60 11.003 -5.333 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.587 -7.130 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.149 -7.578 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.837 -4.920 9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.514 -6.367 10.098 1.00 0.00 H new ATOM 894 N SER A 61 10.054 -7.818 5.553 1.00 0.00 N ATOM 895 CA SER A 61 10.547 -8.816 4.611 1.00 0.00 C ATOM 896 C SER A 61 11.212 -8.149 3.411 1.00 0.00 C ATOM 897 O SER A 61 11.927 -8.795 2.644 1.00 0.00 O ATOM 898 CB SER A 61 9.402 -9.714 4.140 1.00 0.00 C ATOM 899 OG SER A 61 9.846 -10.634 3.158 1.00 0.00 O ATOM 0 H SER A 61 9.046 -7.845 5.706 1.00 0.00 H new ATOM 0 HA SER A 61 11.290 -9.427 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.988 -10.256 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.599 -9.101 3.731 1.00 0.00 H new ATOM 0 HG SER A 61 9.096 -11.197 2.875 1.00 0.00 H new ATOM 905 N HIS A 62 10.972 -6.851 3.255 1.00 0.00 N ATOM 906 CA HIS A 62 11.547 -6.095 2.148 1.00 0.00 C ATOM 907 C HIS A 62 12.931 -5.566 2.513 1.00 0.00 C ATOM 908 O HIS A 62 13.618 -4.975 1.682 1.00 0.00 O ATOM 909 CB HIS A 62 10.629 -4.933 1.765 1.00 0.00 C ATOM 910 CG HIS A 62 11.098 -4.170 0.564 1.00 0.00 C ATOM 911 ND1 HIS A 62 10.959 -4.637 -0.726 1.00 0.00 N ATOM 912 CD2 HIS A 62 11.706 -2.965 0.463 1.00 0.00 C ATOM 913 CE1 HIS A 62 11.462 -3.753 -1.568 1.00 0.00 C ATOM 914 NE2 HIS A 62 11.922 -2.729 -0.872 1.00 0.00 N ATOM 0 H HIS A 62 10.384 -6.301 3.881 1.00 0.00 H new ATOM 0 HA HIS A 62 11.647 -6.766 1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.628 -5.320 1.572 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.549 -4.250 2.611 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.534 -5.526 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.972 -2.311 1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.492 -3.851 -2.643 1.00 0.00 H new ATOM 922 N GLU A 63 13.331 -5.782 3.763 1.00 0.00 N ATOM 923 CA GLU A 63 14.632 -5.325 4.237 1.00 0.00 C ATOM 924 C GLU A 63 15.756 -5.902 3.382 1.00 0.00 C ATOM 925 O GLU A 63 15.890 -7.118 3.251 1.00 0.00 O ATOM 926 CB GLU A 63 14.834 -5.722 5.701 1.00 0.00 C ATOM 927 CG GLU A 63 14.671 -7.211 5.955 1.00 0.00 C ATOM 928 CD GLU A 63 15.994 -7.953 5.949 1.00 0.00 C ATOM 929 OE1 GLU A 63 17.010 -7.349 5.544 1.00 0.00 O ATOM 930 OE2 GLU A 63 16.014 -9.136 6.349 1.00 0.00 O ATOM 0 H GLU A 63 12.773 -6.270 4.464 1.00 0.00 H new ATOM 0 HA GLU A 63 14.659 -4.238 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.831 -5.415 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.121 -5.176 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.180 -7.360 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.017 -7.636 5.194 1.00 0.00 H new ATOM 937 N GLY A 64 16.563 -5.020 2.800 1.00 0.00 N ATOM 938 CA GLY A 64 17.665 -5.459 1.964 1.00 0.00 C ATOM 939 C GLY A 64 17.220 -5.816 0.560 1.00 0.00 C ATOM 940 O GLY A 64 17.891 -5.477 -0.415 1.00 0.00 O ATOM 0 H GLY A 64 16.473 -4.008 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.416 -4.671 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.142 -6.325 2.422 1.00 0.00 H new ATOM 944 N MET A 65 16.088 -6.503 0.456 1.00 0.00 N ATOM 945 CA MET A 65 15.555 -6.907 -0.841 1.00 0.00 C ATOM 946 C MET A 65 14.818 -5.751 -1.509 1.00 0.00 C ATOM 947 O MET A 65 13.606 -5.599 -1.351 1.00 0.00 O ATOM 948 CB MET A 65 14.614 -8.102 -0.680 1.00 0.00 C ATOM 949 CG MET A 65 13.843 -8.443 -1.945 1.00 0.00 C ATOM 950 SD MET A 65 14.803 -9.446 -3.095 1.00 0.00 S ATOM 951 CE MET A 65 14.524 -8.563 -4.628 1.00 0.00 C ATOM 0 H MET A 65 15.521 -6.792 1.253 1.00 0.00 H new ATOM 0 HA MET A 65 16.392 -7.197 -1.476 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.194 -8.972 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 65 13.906 -7.891 0.122 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.931 -8.977 -1.677 1.00 0.00 H new ATOM 0 HG3 MET A 65 13.539 -7.521 -2.440 1.00 0.00 H new ATOM 0 HE1 MET A 65 15.055 -9.063 -5.438 1.00 0.00 H new ATOM 0 HE2 MET A 65 13.457 -8.547 -4.850 1.00 0.00 H new ATOM 0 HE3 MET A 65 14.890 -7.541 -4.531 1.00 0.00 H new ATOM 961 N CYS A 66 15.556 -4.937 -2.256 1.00 0.00 N ATOM 962 CA CYS A 66 14.974 -3.793 -2.948 1.00 0.00 C ATOM 963 C CYS A 66 15.261 -3.860 -4.445 1.00 0.00 C ATOM 964 O CYS A 66 16.385 -4.118 -4.876 1.00 0.00 O ATOM 965 CB CYS A 66 15.521 -2.487 -2.370 1.00 0.00 C ATOM 966 SG CYS A 66 14.524 -1.018 -2.776 1.00 0.00 S ATOM 0 H CYS A 66 16.560 -5.049 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 66 13.894 -3.822 -2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 66 15.585 -2.581 -1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 66 16.536 -2.337 -2.738 1.00 0.00 H new ATOM 971 N PRO A 67 14.221 -3.621 -5.258 1.00 0.00 N ATOM 972 CA PRO A 67 14.336 -3.647 -6.719 1.00 0.00 C ATOM 973 C PRO A 67 15.151 -2.476 -7.257 1.00 0.00 C ATOM 974 O PRO A 67 15.782 -2.580 -8.309 1.00 0.00 O ATOM 975 CB PRO A 67 12.883 -3.550 -7.191 1.00 0.00 C ATOM 976 CG PRO A 67 12.168 -2.866 -6.077 1.00 0.00 C ATOM 977 CD PRO A 67 12.852 -3.308 -4.813 1.00 0.00 C ATOM 0 HA PRO A 67 14.854 -4.539 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.805 -2.983 -8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.463 -4.537 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.217 -1.783 -6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.113 -3.138 -6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.845 -2.523 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.363 -4.178 -4.374 1.00 0.00 H new ATOM 985 N GLN A 68 15.132 -1.364 -6.529 1.00 0.00 N ATOM 986 CA GLN A 68 15.870 -0.174 -6.935 1.00 0.00 C ATOM 987 C GLN A 68 16.784 0.309 -5.814 1.00 0.00 C ATOM 988 O GLN A 68 16.440 1.230 -5.074 1.00 0.00 O ATOM 989 CB GLN A 68 14.902 0.940 -7.336 1.00 0.00 C ATOM 990 CG GLN A 68 14.528 0.921 -8.809 1.00 0.00 C ATOM 991 CD GLN A 68 15.496 1.712 -9.667 1.00 0.00 C ATOM 992 OE1 GLN A 68 16.693 1.769 -9.382 1.00 0.00 O ATOM 993 NE2 GLN A 68 14.983 2.329 -10.725 1.00 0.00 N ATOM 0 H GLN A 68 14.614 -1.262 -5.656 1.00 0.00 H new ATOM 0 HA GLN A 68 16.487 -0.436 -7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.995 0.854 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.351 1.904 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.498 -0.111 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 68 13.524 1.328 -8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.985 2.255 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.587 2.877 -11.338 1.00 0.00 H new ATOM 1002 N GLU A 69 17.949 -0.320 -5.694 1.00 0.00 N ATOM 1003 CA GLU A 69 18.911 0.046 -4.661 1.00 0.00 C ATOM 1004 C GLU A 69 19.856 1.136 -5.159 1.00 0.00 C ATOM 1005 O GLU A 69 21.001 0.862 -5.517 1.00 0.00 O ATOM 1006 CB GLU A 69 19.715 -1.181 -4.224 1.00 0.00 C ATOM 1007 CG GLU A 69 20.518 -0.961 -2.953 1.00 0.00 C ATOM 1008 CD GLU A 69 21.245 0.370 -2.946 1.00 0.00 C ATOM 1009 OE1 GLU A 69 20.643 1.371 -2.504 1.00 0.00 O ATOM 1010 OE2 GLU A 69 22.414 0.410 -3.381 1.00 0.00 O ATOM 0 H GLU A 69 18.249 -1.085 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 69 18.357 0.432 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.032 -2.017 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.394 -1.465 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.851 -1.011 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.243 -1.767 -2.841 1.00 0.00 H new ATOM 1017 N SER A 70 19.367 2.371 -5.179 1.00 0.00 N ATOM 1018 CA SER A 70 20.165 3.502 -5.637 1.00 0.00 C ATOM 1019 C SER A 70 20.924 3.150 -6.913 1.00 0.00 C ATOM 1020 O SER A 70 22.051 3.600 -7.122 1.00 0.00 O ATOM 1021 CB SER A 70 21.148 3.934 -4.547 1.00 0.00 C ATOM 1022 OG SER A 70 21.922 5.044 -4.969 1.00 0.00 O ATOM 0 H SER A 70 18.422 2.614 -4.883 1.00 0.00 H new ATOM 0 HA SER A 70 19.489 4.329 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.600 4.192 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.806 3.102 -4.296 1.00 0.00 H new ATOM 0 HG SER A 70 22.323 4.850 -5.842 1.00 0.00 H new ATOM 1028 N SER A 71 20.298 2.342 -7.762 1.00 0.00 N ATOM 1029 CA SER A 71 20.915 1.925 -9.016 1.00 0.00 C ATOM 1030 C SER A 71 20.177 2.523 -10.210 1.00 0.00 C ATOM 1031 O SER A 71 20.309 2.048 -11.337 1.00 0.00 O ATOM 1032 CB SER A 71 20.926 0.399 -9.121 1.00 0.00 C ATOM 1033 OG SER A 71 19.800 -0.165 -8.472 1.00 0.00 O ATOM 0 H SER A 71 19.364 1.963 -7.605 1.00 0.00 H new ATOM 0 HA SER A 71 21.942 2.290 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.931 0.104 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 71 21.840 0.007 -8.676 1.00 0.00 H new ATOM 0 HG SER A 71 19.830 -1.141 -8.555 1.00 0.00 H new ATOM 1039 N GLY A 72 19.398 3.570 -9.953 1.00 0.00 N ATOM 1040 CA GLY A 72 18.650 4.217 -11.015 1.00 0.00 C ATOM 1041 C GLY A 72 19.036 5.671 -11.193 1.00 0.00 C ATOM 1042 O GLY A 72 19.661 6.281 -10.325 1.00 0.00 O ATOM 0 H GLY A 72 19.272 3.981 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.817 3.683 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.584 4.151 -10.796 1.00 0.00 H new ATOM 1046 N PRO A 73 18.661 6.250 -12.344 1.00 0.00 N ATOM 1047 CA PRO A 73 18.963 7.649 -12.661 1.00 0.00 C ATOM 1048 C PRO A 73 18.168 8.624 -11.798 1.00 0.00 C ATOM 1049 O PRO A 73 17.134 8.267 -11.235 1.00 0.00 O ATOM 1050 CB PRO A 73 18.551 7.777 -14.130 1.00 0.00 C ATOM 1051 CG PRO A 73 17.520 6.719 -14.327 1.00 0.00 C ATOM 1052 CD PRO A 73 17.914 5.583 -13.423 1.00 0.00 C ATOM 0 HA PRO A 73 20.009 7.892 -12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.148 8.767 -14.344 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.402 7.629 -14.794 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.527 7.091 -14.076 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.486 6.396 -15.367 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.042 5.053 -13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 73 18.529 4.850 -13.944 1.00 0.00 H new ATOM 1060 N SER A 74 18.658 9.855 -11.701 1.00 0.00 N ATOM 1061 CA SER A 74 17.995 10.880 -10.903 1.00 0.00 C ATOM 1062 C SER A 74 16.481 10.813 -11.082 1.00 0.00 C ATOM 1063 O SER A 74 15.985 10.284 -12.077 1.00 0.00 O ATOM 1064 CB SER A 74 18.504 12.269 -11.294 1.00 0.00 C ATOM 1065 OG SER A 74 17.521 13.260 -11.052 1.00 0.00 O ATOM 0 H SER A 74 19.511 10.167 -12.165 1.00 0.00 H new ATOM 0 HA SER A 74 18.229 10.696 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.406 12.502 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.779 12.275 -12.349 1.00 0.00 H new ATOM 0 HG SER A 74 17.872 14.138 -11.309 1.00 0.00 H new ATOM 1071 N SER A 75 15.752 11.354 -10.111 1.00 0.00 N ATOM 1072 CA SER A 75 14.294 11.352 -10.158 1.00 0.00 C ATOM 1073 C SER A 75 13.793 11.897 -11.493 1.00 0.00 C ATOM 1074 O SER A 75 14.454 12.716 -12.129 1.00 0.00 O ATOM 1075 CB SER A 75 13.725 12.185 -9.009 1.00 0.00 C ATOM 1076 OG SER A 75 13.567 11.400 -7.839 1.00 0.00 O ATOM 0 H SER A 75 16.147 11.799 -9.282 1.00 0.00 H new ATOM 0 HA SER A 75 13.953 10.322 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.389 13.024 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.763 12.605 -9.302 1.00 0.00 H new ATOM 0 HG SER A 75 13.203 11.956 -7.119 1.00 0.00 H new ATOM 1082 N GLY A 76 12.619 11.434 -11.910 1.00 0.00 N ATOM 1083 CA GLY A 76 12.048 11.885 -13.166 1.00 0.00 C ATOM 1084 C GLY A 76 10.652 12.451 -12.998 1.00 0.00 C ATOM 1085 O GLY A 76 10.347 13.481 -13.598 1.00 0.00 O ATOM 0 H GLY A 76 12.053 10.755 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.695 12.646 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.017 11.051 -13.868 1.00 0.00 H new TER 1089 GLY A 76 HETATM 1090 ZN ZN A 201 -5.946 2.734 6.450 1.00 0.00 ZN HETATM 1091 ZN ZN A 401 12.554 -0.947 -1.499 1.00 0.00 ZN