USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= -2.29! C(o=-2.2!,f=-6.4!) USER MOD Set 1.2: A 59 SER OG : rot 96:sc= 0.134 USER MOD Set 2.1: A 53 SER OG : rot -104:sc= 0.806 USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= -3.08! USER MOD Set 3.1: A 38 CYS SG : rot 41:sc= 0.886 USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 42 CYS SG : rot -18:sc= -1.24 USER MOD Set 3.4: A 69 CYS SG : rot -99:sc= -0.763 USER MOD Set 3.5: A 72 CYS SG : rot 71:sc= -2.92 USER MOD Single : A 8 THR OG1 : rot -24:sc= 0.439 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 15 SER OG : rot -135:sc= 1.49 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.39) USER MOD Single : A 51 ASN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N THR A 8 8.392 11.087 -13.057 1.00 0.00 N ATOM 54 CA THR A 8 7.849 11.728 -11.863 1.00 0.00 C ATOM 55 C THR A 8 6.797 10.862 -11.211 1.00 0.00 C ATOM 56 O THR A 8 7.063 10.148 -10.229 1.00 0.00 O ATOM 57 CB THR A 8 7.283 13.146 -12.206 1.00 0.00 C ATOM 58 OG1 THR A 8 6.678 13.146 -13.492 1.00 0.00 O ATOM 59 CG2 THR A 8 8.313 14.297 -12.266 1.00 0.00 C ATOM 0 HA THR A 8 8.661 11.854 -11.147 1.00 0.00 H new ATOM 0 HB THR A 8 6.596 13.330 -11.380 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.061 12.424 -14.034 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.803 15.229 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.804 14.396 -11.298 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.058 14.079 -13.031 1.00 0.00 H new ATOM 60 N ASP A 9 5.449 10.873 -11.818 1.00 0.00 N ATOM 61 CA ASP A 9 4.385 9.990 -11.343 1.00 0.00 C ATOM 62 C ASP A 9 4.621 8.572 -11.808 1.00 0.00 C ATOM 63 O ASP A 9 4.384 7.598 -11.080 1.00 0.00 O ATOM 64 CB ASP A 9 2.999 10.525 -11.784 1.00 0.00 C ATOM 65 CG ASP A 9 1.917 10.615 -10.697 1.00 0.00 C ATOM 66 OD1 ASP A 9 1.796 9.783 -9.809 1.00 0.00 O ATOM 67 OD2 ASP A 9 1.133 11.727 -10.819 1.00 0.00 O ATOM 0 H ASP A 9 5.177 11.482 -12.590 1.00 0.00 H new ATOM 0 HA ASP A 9 4.397 9.977 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.137 11.519 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.626 9.885 -12.584 1.00 0.00 H new ATOM 68 N ASP A 10 5.176 8.414 -13.170 1.00 0.00 N ATOM 69 CA ASP A 10 5.612 7.115 -13.679 1.00 0.00 C ATOM 70 C ASP A 10 6.486 6.412 -12.666 1.00 0.00 C ATOM 71 O ASP A 10 6.060 5.485 -11.964 1.00 0.00 O ATOM 72 CB ASP A 10 6.325 7.286 -15.045 1.00 0.00 C ATOM 73 CG ASP A 10 6.451 6.030 -15.920 1.00 0.00 C ATOM 74 OD1 ASP A 10 6.330 4.896 -15.481 1.00 0.00 O ATOM 75 OD2 ASP A 10 6.703 6.322 -17.232 1.00 0.00 O ATOM 0 H ASP A 10 5.289 9.183 -13.830 1.00 0.00 H new ATOM 0 HA ASP A 10 4.738 6.484 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.790 8.045 -15.615 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.327 7.673 -14.860 1.00 0.00 H new ATOM 76 N GLN A 11 7.868 6.924 -12.530 1.00 0.00 N ATOM 77 CA GLN A 11 8.860 6.280 -11.674 1.00 0.00 C ATOM 78 C GLN A 11 8.277 5.937 -10.323 1.00 0.00 C ATOM 79 O GLN A 11 8.532 4.868 -9.751 1.00 0.00 O ATOM 80 CB GLN A 11 10.069 7.231 -11.522 1.00 0.00 C ATOM 81 CG GLN A 11 10.029 8.204 -10.297 1.00 0.00 C ATOM 82 CD GLN A 11 11.330 8.859 -9.815 1.00 0.00 C ATOM 83 OE1 GLN A 11 11.376 10.050 -9.551 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.408 8.134 -9.658 1.00 0.00 N ATOM 0 H GLN A 11 8.214 7.750 -13.019 1.00 0.00 H new ATOM 0 HA GLN A 11 9.180 5.344 -12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.974 6.627 -11.451 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.153 7.827 -12.431 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.329 9.004 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.608 7.654 -9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.388 7.137 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.268 8.566 -9.320 1.00 0.00 H new ATOM 85 N ARG A 12 7.419 6.968 -9.703 1.00 0.00 N ATOM 86 CA ARG A 12 6.830 6.829 -8.376 1.00 0.00 C ATOM 87 C ARG A 12 6.022 5.565 -8.218 1.00 0.00 C ATOM 88 O ARG A 12 6.428 4.543 -7.618 1.00 0.00 O ATOM 89 CB ARG A 12 5.925 8.078 -8.116 1.00 0.00 C ATOM 90 CG ARG A 12 6.617 9.270 -7.409 1.00 0.00 C ATOM 91 CD ARG A 12 5.614 10.315 -6.902 1.00 0.00 C ATOM 92 NE ARG A 12 5.837 11.579 -7.649 1.00 0.00 N ATOM 93 CZ ARG A 12 6.884 12.381 -7.509 1.00 0.00 C ATOM 94 NH1 ARG A 12 7.871 12.163 -6.691 1.00 0.00 N ATOM 95 NH2 ARG A 12 6.919 13.443 -8.233 1.00 0.00 N ATOM 0 H ARG A 12 7.183 7.846 -10.165 1.00 0.00 H new ATOM 0 HA ARG A 12 7.639 6.765 -7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.531 8.424 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.072 7.767 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.205 8.899 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.313 9.745 -8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.593 9.963 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.745 10.478 -5.832 1.00 0.00 H new ATOM 0 HE ARG A 12 5.125 11.853 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.872 11.329 -6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.645 12.826 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.159 13.642 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.706 14.087 -8.156 1.00 0.00 H new ATOM 96 N TRP A 13 4.657 5.603 -8.813 1.00 0.00 N ATOM 97 CA TRP A 13 3.708 4.526 -8.562 1.00 0.00 C ATOM 98 C TRP A 13 4.175 3.252 -9.238 1.00 0.00 C ATOM 99 O TRP A 13 3.811 2.137 -8.842 1.00 0.00 O ATOM 100 CB TRP A 13 2.288 4.894 -9.083 1.00 0.00 C ATOM 101 CG TRP A 13 1.458 3.612 -9.305 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.193 3.006 -10.548 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.934 2.778 -8.344 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.501 1.790 -10.386 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.360 1.666 -9.010 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.924 2.860 -6.927 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.227 0.626 -8.256 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.320 1.830 -6.207 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.248 0.727 -6.863 1.00 0.00 C ATOM 0 H TRP A 13 4.308 6.352 -9.411 1.00 0.00 H new ATOM 0 HA TRP A 13 3.655 4.373 -7.484 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.785 5.543 -8.366 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.367 5.452 -10.016 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.483 3.420 -11.502 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.178 1.149 -11.111 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.374 3.700 -6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.653 -0.235 -8.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.289 1.882 -5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.709 -0.057 -6.281 1.00 0.00 H new ATOM 110 N GLN A 14 5.053 3.423 -10.418 1.00 0.00 N ATOM 111 CA GLN A 14 5.725 2.280 -11.039 1.00 0.00 C ATOM 112 C GLN A 14 6.608 1.594 -10.017 1.00 0.00 C ATOM 113 O GLN A 14 6.695 0.362 -9.945 1.00 0.00 O ATOM 114 CB GLN A 14 6.544 2.762 -12.252 1.00 0.00 C ATOM 115 CG GLN A 14 7.228 1.648 -13.113 1.00 0.00 C ATOM 116 CD GLN A 14 8.558 1.953 -13.814 1.00 0.00 C ATOM 117 OE1 GLN A 14 9.474 2.499 -13.219 1.00 0.00 O ATOM 118 NE2 GLN A 14 8.728 1.620 -15.068 1.00 0.00 N ATOM 0 H GLN A 14 5.243 4.320 -10.864 1.00 0.00 H new ATOM 0 HA GLN A 14 4.987 1.559 -11.390 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.886 3.341 -12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.318 3.442 -11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.389 0.786 -12.466 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.516 1.343 -13.880 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.974 1.163 -15.581 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.614 1.817 -15.532 1.00 0.00 H new ATOM 119 N SER A 15 7.381 2.495 -9.127 1.00 0.00 N ATOM 120 CA SER A 15 8.117 1.972 -7.977 1.00 0.00 C ATOM 121 C SER A 15 7.244 0.993 -7.218 1.00 0.00 C ATOM 122 O SER A 15 7.719 -0.023 -6.694 1.00 0.00 O ATOM 123 CB SER A 15 8.665 3.094 -7.064 1.00 0.00 C ATOM 124 OG SER A 15 9.065 2.619 -5.773 1.00 0.00 O ATOM 0 H SER A 15 7.449 3.505 -9.252 1.00 0.00 H new ATOM 0 HA SER A 15 8.995 1.443 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.517 3.568 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.901 3.862 -6.942 1.00 0.00 H new ATOM 0 HG SER A 15 8.730 3.228 -5.082 1.00 0.00 H new ATOM 125 N VAL A 16 5.797 1.347 -7.109 1.00 0.00 N ATOM 126 CA VAL A 16 4.852 0.379 -6.561 1.00 0.00 C ATOM 127 C VAL A 16 4.648 -0.823 -7.452 1.00 0.00 C ATOM 128 O VAL A 16 4.806 -1.995 -7.026 1.00 0.00 O ATOM 129 CB VAL A 16 3.473 1.020 -6.150 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.705 0.289 -4.999 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.570 2.492 -5.686 1.00 0.00 C ATOM 0 H VAL A 16 5.391 2.239 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 16 5.324 0.023 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 16 2.930 0.926 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.771 0.812 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.489 -0.736 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.320 0.281 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.577 2.856 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.224 2.557 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.977 3.102 -6.493 1.00 0.00 H new ATOM 132 N LEU A 17 4.207 -0.595 -8.843 1.00 0.00 N ATOM 133 CA LEU A 17 3.806 -1.696 -9.737 1.00 0.00 C ATOM 134 C LEU A 17 4.779 -2.840 -9.624 1.00 0.00 C ATOM 135 O LEU A 17 4.421 -4.023 -9.579 1.00 0.00 O ATOM 136 CB LEU A 17 3.729 -1.195 -11.210 1.00 0.00 C ATOM 137 CG LEU A 17 2.459 -0.382 -11.600 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.374 -0.225 -13.122 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.170 -1.032 -11.072 1.00 0.00 C ATOM 0 H LEU A 17 4.151 0.329 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 17 2.819 -2.047 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.604 -0.576 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.796 -2.061 -11.869 1.00 0.00 H new ATOM 0 HG LEU A 17 2.551 0.599 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.481 0.345 -13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.258 0.301 -13.483 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.322 -1.209 -13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.311 -0.430 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.071 -2.035 -11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.212 -1.093 -9.985 1.00 0.00 H new ATOM 205 N PHE A 27 9.597 7.572 -0.022 1.00 0.00 N ATOM 206 CA PHE A 27 8.268 8.035 -0.437 1.00 0.00 C ATOM 207 C PHE A 27 7.172 7.141 0.081 1.00 0.00 C ATOM 208 O PHE A 27 7.364 5.928 0.289 1.00 0.00 O ATOM 209 CB PHE A 27 8.204 8.190 -1.982 1.00 0.00 C ATOM 210 CG PHE A 27 7.863 6.991 -2.879 1.00 0.00 C ATOM 211 CD1 PHE A 27 6.569 6.458 -2.884 1.00 0.00 C ATOM 212 CD2 PHE A 27 8.835 6.437 -3.719 1.00 0.00 C ATOM 213 CE1 PHE A 27 6.254 5.384 -3.710 1.00 0.00 C ATOM 214 CE2 PHE A 27 8.517 5.364 -4.546 1.00 0.00 C ATOM 215 CZ PHE A 27 7.227 4.838 -4.542 1.00 0.00 C ATOM 0 HA PHE A 27 8.102 9.016 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.472 8.968 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.174 8.567 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.811 6.883 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.836 6.843 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.255 4.974 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.271 4.939 -5.192 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.982 4.006 -5.185 1.00 0.00 H new ATOM 216 N VAL A 28 5.853 7.758 0.336 1.00 0.00 N ATOM 217 CA VAL A 28 4.752 7.066 1.022 1.00 0.00 C ATOM 218 C VAL A 28 3.489 7.157 0.199 1.00 0.00 C ATOM 219 O VAL A 28 3.313 8.107 -0.595 1.00 0.00 O ATOM 220 CB VAL A 28 4.566 7.716 2.449 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.877 8.160 3.169 1.00 0.00 C ATOM 222 CG2 VAL A 28 3.657 8.968 2.457 1.00 0.00 C ATOM 0 H VAL A 28 5.621 8.709 0.051 1.00 0.00 H new ATOM 0 HA VAL A 28 4.982 6.008 1.143 1.00 0.00 H new ATOM 0 HB VAL A 28 4.113 6.881 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.631 8.592 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.525 7.295 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.392 8.904 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.580 9.355 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.085 9.733 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.665 8.700 2.095 1.00 0.00 H new ATOM 223 N PHE A 29 2.449 6.123 0.383 1.00 0.00 N ATOM 224 CA PHE A 29 1.280 6.015 -0.490 1.00 0.00 C ATOM 225 C PHE A 29 0.039 5.739 0.325 1.00 0.00 C ATOM 226 O PHE A 29 0.046 4.879 1.229 1.00 0.00 O ATOM 227 CB PHE A 29 1.473 4.849 -1.507 1.00 0.00 C ATOM 228 CG PHE A 29 0.784 3.514 -1.181 1.00 0.00 C ATOM 229 CD1 PHE A 29 1.339 2.637 -0.244 1.00 0.00 C ATOM 230 CD2 PHE A 29 -0.376 3.138 -1.871 1.00 0.00 C ATOM 231 CE1 PHE A 29 0.747 1.399 -0.007 1.00 0.00 C ATOM 232 CE2 PHE A 29 -0.965 1.901 -1.634 1.00 0.00 C ATOM 233 CZ PHE A 29 -0.402 1.029 -0.704 1.00 0.00 C ATOM 0 H PHE A 29 2.478 5.423 1.124 1.00 0.00 H new ATOM 0 HA PHE A 29 1.169 6.959 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.115 5.186 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.542 4.662 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.229 2.921 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.815 3.813 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.179 0.725 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.858 1.616 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.856 0.066 -0.523 1.00 0.00 H new ATOM 234 N ALA A 30 -1.191 6.491 -0.005 1.00 0.00 N ATOM 235 CA ALA A 30 -2.399 6.385 0.807 1.00 0.00 C ATOM 236 C ALA A 30 -3.572 5.858 0.014 1.00 0.00 C ATOM 237 O ALA A 30 -4.233 6.590 -0.736 1.00 0.00 O ATOM 238 CB ALA A 30 -2.679 7.768 1.419 1.00 0.00 C ATOM 0 H ALA A 30 -1.276 7.120 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.246 5.658 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.579 7.719 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.834 8.070 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.823 8.496 0.621 1.00 0.00 H new ATOM 239 N VAL A 31 -3.909 4.435 0.217 1.00 0.00 N ATOM 240 CA VAL A 31 -5.129 3.840 -0.339 1.00 0.00 C ATOM 241 C VAL A 31 -6.278 4.055 0.616 1.00 0.00 C ATOM 242 O VAL A 31 -6.498 3.268 1.553 1.00 0.00 O ATOM 243 CB VAL A 31 -4.874 2.313 -0.647 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.741 1.359 0.575 1.00 0.00 C ATOM 245 CG2 VAL A 31 -5.930 1.652 -1.563 1.00 0.00 C ATOM 0 H VAL A 31 -3.329 3.784 0.746 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.396 4.323 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.907 2.406 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.568 0.341 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.903 1.677 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.659 1.390 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.672 0.604 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.911 1.718 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.952 2.167 -2.524 1.00 0.00 H new ATOM 246 N ARG A 32 -7.102 5.271 0.417 1.00 0.00 N ATOM 247 CA ARG A 32 -8.093 5.686 1.405 1.00 0.00 C ATOM 248 C ARG A 32 -9.432 5.015 1.240 1.00 0.00 C ATOM 249 O ARG A 32 -10.487 5.595 1.581 1.00 0.00 O ATOM 250 CB ARG A 32 -8.232 7.234 1.362 1.00 0.00 C ATOM 251 CG ARG A 32 -8.534 7.847 -0.030 1.00 0.00 C ATOM 252 CD ARG A 32 -9.965 7.574 -0.509 1.00 0.00 C ATOM 253 NE ARG A 32 -10.119 8.135 -1.875 1.00 0.00 N ATOM 254 CZ ARG A 32 -10.248 9.421 -2.172 1.00 0.00 C ATOM 255 NH1 ARG A 32 -10.251 10.380 -1.293 1.00 0.00 N ATOM 256 NH2 ARG A 32 -10.378 9.735 -3.412 1.00 0.00 N ATOM 0 H ARG A 32 -7.035 5.881 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.734 5.366 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.027 7.527 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.308 7.673 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.370 8.924 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.830 7.444 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.165 6.502 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.685 8.029 0.171 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.126 7.474 -2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.150 10.163 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.355 11.349 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.379 9.006 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.480 10.713 -3.682 1.00 0.00 H new ATOM 257 N THR A 33 -9.466 3.639 0.701 1.00 0.00 N ATOM 258 CA THR A 33 -10.717 2.904 0.492 1.00 0.00 C ATOM 259 C THR A 33 -10.926 1.915 1.618 1.00 0.00 C ATOM 260 O THR A 33 -12.023 1.757 2.167 1.00 0.00 O ATOM 261 CB THR A 33 -10.713 2.184 -0.895 1.00 0.00 C ATOM 262 OG1 THR A 33 -12.014 1.705 -1.215 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.805 0.939 -1.021 1.00 0.00 C ATOM 0 H THR A 33 -8.630 3.116 0.442 1.00 0.00 H new ATOM 0 HA THR A 33 -11.546 3.612 0.493 1.00 0.00 H new ATOM 0 HB THR A 33 -10.336 2.962 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.993 1.259 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.888 0.528 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.770 1.222 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.116 0.187 -0.296 1.00 0.00 H new ATOM 264 N THR A 34 -9.723 1.160 2.034 1.00 0.00 N ATOM 265 CA THR A 34 -9.692 0.322 3.228 1.00 0.00 C ATOM 266 C THR A 34 -9.102 1.094 4.389 1.00 0.00 C ATOM 267 O THR A 34 -9.219 0.715 5.562 1.00 0.00 O ATOM 268 CB THR A 34 -8.900 -1.002 2.965 1.00 0.00 C ATOM 269 OG1 THR A 34 -9.411 -1.669 1.818 1.00 0.00 O ATOM 270 CG2 THR A 34 -8.949 -2.065 4.084 1.00 0.00 C ATOM 0 H THR A 34 -8.844 1.176 1.517 1.00 0.00 H new ATOM 0 HA THR A 34 -10.714 0.043 3.485 1.00 0.00 H new ATOM 0 HB THR A 34 -7.875 -0.646 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.904 -2.494 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.364 -2.935 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.535 -1.647 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.983 -2.365 4.256 1.00 0.00 H new ATOM 271 N GLY A 35 -8.392 2.345 4.036 1.00 0.00 N ATOM 272 CA GLY A 35 -7.933 3.300 5.038 1.00 0.00 C ATOM 273 C GLY A 35 -6.587 2.937 5.613 1.00 0.00 C ATOM 274 O GLY A 35 -6.461 2.639 6.817 1.00 0.00 O ATOM 0 H GLY A 35 -8.179 2.618 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.877 4.292 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.665 3.355 5.844 1.00 0.00 H new ATOM 275 N ILE A 36 -5.433 2.876 4.692 1.00 0.00 N ATOM 276 CA ILE A 36 -4.062 2.752 5.176 1.00 0.00 C ATOM 277 C ILE A 36 -3.110 3.599 4.369 1.00 0.00 C ATOM 278 O ILE A 36 -3.181 3.654 3.128 1.00 0.00 O ATOM 279 CB ILE A 36 -3.595 1.234 5.218 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.387 0.552 3.829 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.554 0.338 6.062 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.092 -0.274 3.673 1.00 0.00 C ATOM 0 H ILE A 36 -5.516 2.916 3.676 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.044 3.128 6.199 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.616 1.304 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.238 -0.101 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.397 1.325 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.190 -0.689 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.589 0.707 7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.555 0.369 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.052 -0.701 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.228 0.372 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.081 -1.077 4.410 1.00 0.00 H new ATOM 283 N PHE A 37 -2.086 4.355 5.119 1.00 0.00 N ATOM 284 CA PHE A 37 -0.981 5.056 4.441 1.00 0.00 C ATOM 285 C PHE A 37 0.296 4.279 4.644 1.00 0.00 C ATOM 286 O PHE A 37 0.815 4.212 5.791 1.00 0.00 O ATOM 287 CB PHE A 37 -0.854 6.507 4.991 1.00 0.00 C ATOM 288 CG PHE A 37 0.254 6.873 5.989 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.595 6.895 5.599 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.089 7.254 7.292 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.581 7.289 6.501 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.895 7.649 8.192 1.00 0.00 C ATOM 293 CZ PHE A 37 2.230 7.664 7.797 1.00 0.00 C ATOM 0 H PHE A 37 -2.075 4.441 6.135 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.182 5.122 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.742 7.167 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.805 6.756 5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.868 6.606 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.124 7.241 7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.617 7.304 6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.624 7.943 9.195 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.995 7.967 8.496 1.00 0.00 H new ATOM 294 N CYS A 38 0.906 3.549 3.512 1.00 0.00 N ATOM 295 CA CYS A 38 2.021 2.626 3.697 1.00 0.00 C ATOM 296 C CYS A 38 3.228 2.999 2.877 1.00 0.00 C ATOM 297 O CYS A 38 3.127 3.718 1.865 1.00 0.00 O ATOM 298 CB CYS A 38 1.528 1.203 3.310 1.00 0.00 C ATOM 299 SG CYS A 38 2.830 -0.012 3.630 1.00 0.00 S ATOM 0 H CYS A 38 0.594 3.640 2.545 1.00 0.00 H new ATOM 0 HA CYS A 38 2.338 2.666 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.635 0.951 3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.249 1.180 2.257 1.00 0.00 H new ATOM 0 HG CYS A 38 3.417 0.267 4.756 1.00 0.00 H new ATOM 300 N ARG A 39 4.535 2.500 3.346 1.00 0.00 N ATOM 301 CA ARG A 39 5.722 2.573 2.476 1.00 0.00 C ATOM 302 C ARG A 39 5.590 1.471 1.442 1.00 0.00 C ATOM 303 O ARG A 39 5.535 0.279 1.781 1.00 0.00 O ATOM 304 CB ARG A 39 7.003 2.454 3.333 1.00 0.00 C ATOM 305 CG ARG A 39 7.875 3.736 3.413 1.00 0.00 C ATOM 306 CD ARG A 39 9.229 3.572 2.711 1.00 0.00 C ATOM 307 NE ARG A 39 9.931 2.409 3.310 1.00 0.00 N ATOM 308 CZ ARG A 39 10.826 2.468 4.287 1.00 0.00 C ATOM 309 NH1 ARG A 39 11.211 3.568 4.864 1.00 0.00 N ATOM 310 NH2 ARG A 39 11.343 1.360 4.686 1.00 0.00 N ATOM 0 H ARG A 39 4.700 2.088 4.264 1.00 0.00 H new ATOM 0 HA ARG A 39 5.794 3.529 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.717 2.166 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.613 1.645 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.334 4.568 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.041 3.994 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.085 3.418 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.827 4.476 2.825 1.00 0.00 H new ATOM 0 HE ARG A 39 9.706 1.486 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.819 4.462 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.905 3.536 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.061 0.481 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.035 1.361 5.435 1.00 0.00 H new ATOM 311 N PRO A 40 5.525 1.889 0.033 1.00 0.00 N ATOM 312 CA PRO A 40 5.341 0.978 -1.200 1.00 0.00 C ATOM 313 C PRO A 40 5.620 -0.485 -0.978 1.00 0.00 C ATOM 314 O PRO A 40 6.747 -0.971 -1.171 1.00 0.00 O ATOM 315 CB PRO A 40 6.288 1.589 -2.231 1.00 0.00 C ATOM 316 CG PRO A 40 6.046 3.087 -1.978 1.00 0.00 C ATOM 317 CD PRO A 40 5.624 3.263 -0.516 1.00 0.00 C ATOM 0 HA PRO A 40 4.295 0.957 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.326 1.302 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.038 1.295 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.951 3.658 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.272 3.465 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.355 3.855 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.670 3.785 -0.442 1.00 0.00 H new ATOM 318 N SER A 41 4.478 -1.338 -0.550 1.00 0.00 N ATOM 319 CA SER A 41 4.676 -2.722 -0.138 1.00 0.00 C ATOM 320 C SER A 41 3.429 -3.572 -0.161 1.00 0.00 C ATOM 321 O SER A 41 3.169 -4.312 -1.120 1.00 0.00 O ATOM 322 CB SER A 41 5.361 -2.777 1.257 1.00 0.00 C ATOM 323 OG SER A 41 5.944 -4.053 1.539 1.00 0.00 O ATOM 0 H SER A 41 3.509 -1.021 -0.517 1.00 0.00 H new ATOM 0 HA SER A 41 5.331 -3.163 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.134 -2.010 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.627 -2.540 2.027 1.00 0.00 H new ATOM 0 HG SER A 41 6.362 -4.033 2.425 1.00 0.00 H new ATOM 324 N CYS A 42 2.506 -3.453 0.993 1.00 0.00 N ATOM 325 CA CYS A 42 1.385 -4.334 1.278 1.00 0.00 C ATOM 326 C CYS A 42 1.210 -5.435 0.258 1.00 0.00 C ATOM 327 O CYS A 42 0.546 -5.304 -0.777 1.00 0.00 O ATOM 328 CB CYS A 42 0.091 -3.545 1.560 1.00 0.00 C ATOM 329 SG CYS A 42 0.304 -1.907 2.287 1.00 0.00 S ATOM 0 H CYS A 42 2.606 -2.713 1.688 1.00 0.00 H new ATOM 0 HA CYS A 42 1.632 -4.857 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.456 -3.436 0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.534 -4.138 2.227 1.00 0.00 H new ATOM 0 HG CYS A 42 1.494 -1.812 2.802 1.00 0.00 H new ATOM 330 N ARG A 43 1.931 -6.700 0.560 1.00 0.00 N ATOM 331 CA ARG A 43 2.048 -7.809 -0.377 1.00 0.00 C ATOM 332 C ARG A 43 0.751 -8.556 -0.564 1.00 0.00 C ATOM 333 O ARG A 43 0.701 -9.590 -1.256 1.00 0.00 O ATOM 334 CB ARG A 43 3.176 -8.762 0.121 1.00 0.00 C ATOM 335 CG ARG A 43 4.403 -8.048 0.745 1.00 0.00 C ATOM 336 CD ARG A 43 5.688 -8.276 -0.066 1.00 0.00 C ATOM 337 NE ARG A 43 5.798 -9.728 -0.359 1.00 0.00 N ATOM 338 CZ ARG A 43 6.280 -10.258 -1.474 1.00 0.00 C ATOM 339 NH1 ARG A 43 6.736 -9.569 -2.478 1.00 0.00 N ATOM 340 NH2 ARG A 43 6.295 -11.542 -1.563 1.00 0.00 N ATOM 0 H ARG A 43 2.394 -6.873 1.452 1.00 0.00 H new ATOM 0 HA ARG A 43 2.301 -7.405 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.756 -9.444 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.515 -9.370 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.203 -6.979 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.550 -8.408 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.660 -7.702 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.558 -7.934 0.495 1.00 0.00 H new ATOM 0 HE ARG A 43 5.474 -10.374 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.738 -8.550 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.092 -10.048 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.944 -12.111 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.658 -11.991 -2.404 1.00 0.00 H new ATOM 341 N ALA A 44 -0.447 -8.041 0.132 1.00 0.00 N ATOM 342 CA ALA A 44 -1.774 -8.577 -0.125 1.00 0.00 C ATOM 343 C ALA A 44 -2.100 -8.461 -1.610 1.00 0.00 C ATOM 344 O ALA A 44 -1.259 -8.158 -2.463 1.00 0.00 O ATOM 345 CB ALA A 44 -2.787 -7.803 0.739 1.00 0.00 C ATOM 0 H ALA A 44 -0.424 -7.292 0.824 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.820 -9.634 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.790 -8.191 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.534 -7.924 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.755 -6.745 0.477 1.00 0.00 H new ATOM 346 N ARG A 45 -3.513 -8.783 -1.947 1.00 0.00 N ATOM 347 CA ARG A 45 -4.046 -8.563 -3.288 1.00 0.00 C ATOM 348 C ARG A 45 -3.609 -7.214 -3.817 1.00 0.00 C ATOM 349 O ARG A 45 -3.664 -6.939 -5.023 1.00 0.00 O ATOM 350 CB ARG A 45 -5.589 -8.722 -3.261 1.00 0.00 C ATOM 351 CG ARG A 45 -6.413 -7.444 -3.565 1.00 0.00 C ATOM 352 CD ARG A 45 -6.704 -6.618 -2.305 1.00 0.00 C ATOM 353 NE ARG A 45 -7.943 -7.146 -1.679 1.00 0.00 N ATOM 354 CZ ARG A 45 -9.148 -7.140 -2.233 1.00 0.00 C ATOM 355 NH1 ARG A 45 -9.411 -6.659 -3.412 1.00 0.00 N ATOM 356 NH2 ARG A 45 -10.116 -7.646 -1.554 1.00 0.00 N ATOM 0 H ARG A 45 -4.185 -9.168 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.647 -9.310 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.867 -9.489 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.879 -9.091 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.870 -6.828 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.355 -7.726 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.869 -6.682 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.826 -5.565 -2.560 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.860 -7.547 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.664 -6.252 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.364 -6.689 -3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.941 -8.032 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.059 -7.661 -1.943 1.00 0.00 H new ATOM 357 N HIS A 46 -3.160 -6.229 -2.811 1.00 0.00 N ATOM 358 CA HIS A 46 -2.522 -4.960 -3.133 1.00 0.00 C ATOM 359 C HIS A 46 -3.519 -3.837 -3.287 1.00 0.00 C ATOM 360 O HIS A 46 -4.565 -3.966 -3.937 1.00 0.00 O ATOM 361 CB HIS A 46 -1.702 -5.151 -4.417 1.00 0.00 C ATOM 362 CG HIS A 46 -0.724 -4.032 -4.638 1.00 0.00 C ATOM 363 ND1 HIS A 46 -0.411 -3.453 -5.865 1.00 0.00 N ATOM 364 CD2 HIS A 46 -0.011 -3.446 -3.602 1.00 0.00 C ATOM 365 CE1 HIS A 46 0.488 -2.535 -5.463 1.00 0.00 C ATOM 366 NE2 HIS A 46 0.784 -2.466 -4.136 1.00 0.00 N ATOM 0 H HIS A 46 -3.271 -6.379 -1.808 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.872 -4.670 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.163 -6.097 -4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.377 -5.215 -5.271 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.072 -3.715 -2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.961 -1.872 -6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.434 -1.842 -3.659 1.00 0.00 H new ATOM 367 N ALA A 47 -3.183 -2.578 -2.578 1.00 0.00 N ATOM 368 CA ALA A 47 -4.012 -1.381 -2.670 1.00 0.00 C ATOM 369 C ALA A 47 -3.957 -0.791 -4.060 1.00 0.00 C ATOM 370 O ALA A 47 -2.887 -0.457 -4.587 1.00 0.00 O ATOM 371 CB ALA A 47 -3.536 -0.398 -1.587 1.00 0.00 C ATOM 0 H ALA A 47 -2.360 -2.468 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.061 -1.621 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.138 0.510 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.643 -0.859 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.489 -0.148 -1.758 1.00 0.00 H new ATOM 372 N LEU A 48 -5.252 -0.673 -4.767 1.00 0.00 N ATOM 373 CA LEU A 48 -5.351 -0.131 -6.118 1.00 0.00 C ATOM 374 C LEU A 48 -4.753 1.255 -6.192 1.00 0.00 C ATOM 375 O LEU A 48 -4.647 1.975 -5.189 1.00 0.00 O ATOM 376 CB LEU A 48 -6.831 -0.116 -6.595 1.00 0.00 C ATOM 377 CG LEU A 48 -7.868 -1.015 -5.870 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.369 -0.322 -4.595 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.067 -1.375 -6.764 1.00 0.00 C ATOM 0 H LEU A 48 -6.145 -0.957 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.781 -0.779 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.186 0.912 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.839 -0.391 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.358 -1.944 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.096 -0.962 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.528 -0.137 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.839 0.626 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.760 -2.005 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.576 -0.463 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.716 -1.913 -7.644 1.00 0.00 H new ATOM 380 N ARG A 49 -4.322 1.711 -7.531 1.00 0.00 N ATOM 381 CA ARG A 49 -3.900 3.085 -7.795 1.00 0.00 C ATOM 382 C ARG A 49 -5.086 3.967 -8.107 1.00 0.00 C ATOM 383 O ARG A 49 -4.944 5.098 -8.595 1.00 0.00 O ATOM 384 CB ARG A 49 -2.884 3.075 -8.972 1.00 0.00 C ATOM 385 CG ARG A 49 -3.524 2.933 -10.379 1.00 0.00 C ATOM 386 CD ARG A 49 -2.482 2.852 -11.502 1.00 0.00 C ATOM 387 NE ARG A 49 -3.157 2.359 -12.730 1.00 0.00 N ATOM 388 CZ ARG A 49 -3.223 1.091 -13.115 1.00 0.00 C ATOM 389 NH1 ARG A 49 -2.697 0.097 -12.463 1.00 0.00 N ATOM 390 NH2 ARG A 49 -3.852 0.835 -14.207 1.00 0.00 N ATOM 0 H ARG A 49 -4.291 1.103 -8.350 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.423 3.497 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.305 3.998 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.183 2.254 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.146 2.038 -10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.182 3.783 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.038 3.832 -11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.671 2.181 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.607 3.053 -13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.193 0.268 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.789 -0.854 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.276 1.593 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.926 -0.126 -14.539 1.00 0.00 H new ATOM 391 N GLU A 50 -6.425 3.403 -7.830 1.00 0.00 N ATOM 392 CA GLU A 50 -7.663 4.055 -8.245 1.00 0.00 C ATOM 393 C GLU A 50 -8.164 5.042 -7.218 1.00 0.00 C ATOM 394 O GLU A 50 -8.910 5.989 -7.552 1.00 0.00 O ATOM 395 CB GLU A 50 -8.727 2.948 -8.515 1.00 0.00 C ATOM 396 CG GLU A 50 -8.215 1.599 -9.118 1.00 0.00 C ATOM 397 CD GLU A 50 -8.873 1.075 -10.397 1.00 0.00 C ATOM 398 OE1 GLU A 50 -8.514 1.412 -11.517 1.00 0.00 O ATOM 399 OE2 GLU A 50 -9.892 0.201 -10.170 1.00 0.00 O ATOM 0 H GLU A 50 -6.570 2.524 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.473 4.631 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.232 2.728 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.477 3.358 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.148 1.707 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.322 0.831 -8.352 1.00 0.00 H new ATOM 400 N ASN A 51 -7.768 4.842 -5.818 1.00 0.00 N ATOM 401 CA ASN A 51 -8.253 5.688 -4.700 1.00 0.00 C ATOM 402 C ASN A 51 -7.027 6.090 -3.888 1.00 0.00 C ATOM 403 O ASN A 51 -7.102 6.443 -2.701 1.00 0.00 O ATOM 404 CB ASN A 51 -9.088 4.734 -3.805 1.00 0.00 C ATOM 405 CG ASN A 51 -8.251 3.747 -2.955 1.00 0.00 C ATOM 406 OD1 ASN A 51 -7.556 2.878 -3.455 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.299 3.875 -1.658 1.00 0.00 N ATOM 0 H ASN A 51 -7.130 4.104 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.814 6.560 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.707 5.333 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.765 4.162 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.756 3.249 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.880 4.601 -1.238 1.00 0.00 H new ATOM 408 N VAL A 52 -5.733 5.951 -4.591 1.00 0.00 N ATOM 409 CA VAL A 52 -4.456 5.949 -3.885 1.00 0.00 C ATOM 410 C VAL A 52 -3.828 7.315 -3.934 1.00 0.00 C ATOM 411 O VAL A 52 -3.999 8.050 -4.941 1.00 0.00 O ATOM 412 CB VAL A 52 -3.510 4.837 -4.500 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.287 5.331 -5.317 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.934 3.848 -3.450 1.00 0.00 C ATOM 0 H VAL A 52 -5.649 5.849 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.618 5.708 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.216 4.355 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.722 4.473 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.631 5.925 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.647 5.942 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.297 3.118 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.347 4.399 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.753 3.332 -2.948 1.00 0.00 H new ATOM 415 N SER A 53 -3.044 7.799 -2.779 1.00 0.00 N ATOM 416 CA SER A 53 -2.286 9.051 -2.827 1.00 0.00 C ATOM 417 C SER A 53 -0.802 8.784 -2.772 1.00 0.00 C ATOM 418 O SER A 53 -0.356 7.640 -2.581 1.00 0.00 O ATOM 419 CB SER A 53 -2.771 10.024 -1.726 1.00 0.00 C ATOM 420 OG SER A 53 -1.704 10.694 -1.048 1.00 0.00 O ATOM 0 H SER A 53 -2.980 7.304 -1.890 1.00 0.00 H new ATOM 0 HA SER A 53 -2.472 9.544 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.430 10.768 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.363 9.470 -0.997 1.00 0.00 H new ATOM 0 HG SER A 53 -1.574 10.291 -0.164 1.00 0.00 H new ATOM 421 N PHE A 54 0.106 9.934 -3.002 1.00 0.00 N ATOM 422 CA PHE A 54 1.555 9.799 -2.903 1.00 0.00 C ATOM 423 C PHE A 54 2.193 10.970 -2.189 1.00 0.00 C ATOM 424 O PHE A 54 1.728 12.117 -2.238 1.00 0.00 O ATOM 425 CB PHE A 54 2.202 9.675 -4.315 1.00 0.00 C ATOM 426 CG PHE A 54 1.655 8.603 -5.269 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.894 7.251 -4.997 1.00 0.00 C ATOM 428 CD2 PHE A 54 0.941 8.958 -6.416 1.00 0.00 C ATOM 429 CE1 PHE A 54 1.418 6.267 -5.856 1.00 0.00 C ATOM 430 CE2 PHE A 54 0.466 7.972 -7.277 1.00 0.00 C ATOM 431 CZ PHE A 54 0.704 6.627 -6.997 1.00 0.00 C ATOM 0 H PHE A 54 -0.214 10.873 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 54 1.735 8.893 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.109 10.641 -4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.267 9.488 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.451 6.971 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.757 9.999 -6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.601 5.225 -5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.087 8.249 -8.162 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.334 5.863 -7.665 1.00 0.00 H new ATOM 432 N TYR A 55 3.431 10.668 -1.433 1.00 0.00 N ATOM 433 CA TYR A 55 4.151 11.649 -0.626 1.00 0.00 C ATOM 434 C TYR A 55 5.641 11.364 -0.671 1.00 0.00 C ATOM 435 O TYR A 55 6.051 10.222 -0.989 1.00 0.00 O ATOM 436 CB TYR A 55 3.703 11.605 0.860 1.00 0.00 C ATOM 437 CG TYR A 55 2.290 11.135 1.248 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.537 10.251 0.476 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.734 11.639 2.441 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.258 9.876 0.874 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.456 11.264 2.837 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.283 10.384 2.052 1.00 0.00 C ATOM 443 OH TYR A 55 -1.541 10.024 2.445 1.00 0.00 O ATOM 0 H TYR A 55 3.864 9.745 -1.428 1.00 0.00 H new ATOM 0 HA TYR A 55 3.929 12.632 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.409 10.963 1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.826 12.611 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.951 9.854 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.306 12.322 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.316 9.190 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.037 11.655 3.752 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.760 10.470 3.290 1.00 0.00 H new ATOM 444 N ALA A 56 6.612 12.440 -0.378 1.00 0.00 N ATOM 445 CA ALA A 56 8.056 12.199 -0.293 1.00 0.00 C ATOM 446 C ALA A 56 8.476 11.667 1.055 1.00 0.00 C ATOM 447 O ALA A 56 9.513 10.986 1.182 1.00 0.00 O ATOM 448 CB ALA A 56 8.758 13.522 -0.654 1.00 0.00 C ATOM 0 H ALA A 56 6.344 13.411 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 56 8.348 11.417 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.838 13.386 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.477 13.819 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.456 14.298 0.050 1.00 0.00 H new ATOM 449 N ASN A 57 7.641 12.016 2.226 1.00 0.00 N ATOM 450 CA ASN A 57 7.912 11.470 3.553 1.00 0.00 C ATOM 451 C ASN A 57 6.638 11.244 4.332 1.00 0.00 C ATOM 452 O ASN A 57 5.610 11.899 4.114 1.00 0.00 O ATOM 453 CB ASN A 57 8.872 12.415 4.332 1.00 0.00 C ATOM 454 CG ASN A 57 8.910 12.261 5.857 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.430 13.094 6.611 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.463 11.193 6.365 1.00 0.00 N ATOM 0 H ASN A 57 6.840 12.646 2.186 1.00 0.00 H new ATOM 0 HA ASN A 57 8.393 10.500 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.882 12.263 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.596 13.444 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.489 11.064 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.869 10.487 5.750 1.00 0.00 H new ATOM 457 N ALA A 58 6.692 10.188 5.370 1.00 0.00 N ATOM 458 CA ALA A 58 5.512 9.777 6.122 1.00 0.00 C ATOM 459 C ALA A 58 4.924 10.926 6.909 1.00 0.00 C ATOM 460 O ALA A 58 3.703 11.002 7.125 1.00 0.00 O ATOM 461 CB ALA A 58 5.911 8.590 7.016 1.00 0.00 C ATOM 0 H ALA A 58 7.544 9.687 5.623 1.00 0.00 H new ATOM 0 HA ALA A 58 4.722 9.462 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.046 8.261 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.266 7.769 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.704 8.898 7.697 1.00 0.00 H new ATOM 462 N SER A 59 5.875 11.927 7.440 1.00 0.00 N ATOM 463 CA SER A 59 5.454 13.014 8.319 1.00 0.00 C ATOM 464 C SER A 59 4.175 13.646 7.823 1.00 0.00 C ATOM 465 O SER A 59 3.323 14.099 8.599 1.00 0.00 O ATOM 466 CB SER A 59 6.579 14.067 8.479 1.00 0.00 C ATOM 467 OG SER A 59 7.634 13.635 9.345 1.00 0.00 O ATOM 0 H SER A 59 6.873 11.924 7.230 1.00 0.00 H new ATOM 0 HA SER A 59 5.254 12.593 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.994 14.298 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.151 14.990 8.870 1.00 0.00 H new ATOM 0 HG SER A 59 8.365 13.262 8.809 1.00 0.00 H new ATOM 468 N GLU A 60 3.999 13.695 6.353 1.00 0.00 N ATOM 469 CA GLU A 60 2.813 14.284 5.741 1.00 0.00 C ATOM 470 C GLU A 60 1.578 13.466 6.039 1.00 0.00 C ATOM 471 O GLU A 60 0.572 13.977 6.552 1.00 0.00 O ATOM 472 CB GLU A 60 3.043 14.414 4.210 1.00 0.00 C ATOM 473 CG GLU A 60 1.779 14.318 3.292 1.00 0.00 C ATOM 474 CD GLU A 60 1.083 15.604 2.846 1.00 0.00 C ATOM 475 OE1 GLU A 60 1.895 16.465 2.171 1.00 0.00 O ATOM 476 OE2 GLU A 60 -0.098 15.837 3.074 1.00 0.00 O ATOM 0 H GLU A 60 4.679 13.329 5.686 1.00 0.00 H new ATOM 0 HA GLU A 60 2.648 15.274 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.528 15.372 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.743 13.636 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.066 13.772 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.040 13.709 3.813 1.00 0.00 H new ATOM 477 N ALA A 61 1.612 12.038 5.650 1.00 0.00 N ATOM 478 CA ALA A 61 0.436 11.181 5.746 1.00 0.00 C ATOM 479 C ALA A 61 -0.160 11.144 7.133 1.00 0.00 C ATOM 480 O ALA A 61 -1.380 10.920 7.292 1.00 0.00 O ATOM 481 CB ALA A 61 0.827 9.782 5.239 1.00 0.00 C ATOM 0 H ALA A 61 2.445 11.567 5.296 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.357 11.593 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.036 9.119 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.160 9.850 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.634 9.384 5.854 1.00 0.00 H new ATOM 482 N LEU A 62 0.738 11.329 8.292 1.00 0.00 N ATOM 483 CA LEU A 62 0.214 11.482 9.650 1.00 0.00 C ATOM 484 C LEU A 62 -0.286 12.890 9.869 1.00 0.00 C ATOM 485 O LEU A 62 -1.330 13.117 10.502 1.00 0.00 O ATOM 486 CB LEU A 62 1.260 11.061 10.717 1.00 0.00 C ATOM 487 CG LEU A 62 2.723 11.564 10.592 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.836 12.999 11.125 1.00 0.00 C ATOM 489 CD2 LEU A 62 3.726 10.658 11.330 1.00 0.00 C ATOM 0 H LEU A 62 1.755 11.362 8.226 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.635 10.808 9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.885 11.385 11.688 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.289 9.972 10.734 1.00 0.00 H new ATOM 0 HG LEU A 62 2.977 11.538 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.867 13.341 11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.183 13.654 10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.539 13.022 12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.733 11.057 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.474 10.624 12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.682 9.652 10.914 1.00 0.00 H new ATOM 490 N ALA A 63 0.547 13.984 9.326 1.00 0.00 N ATOM 491 CA ALA A 63 0.084 15.372 9.310 1.00 0.00 C ATOM 492 C ALA A 63 -1.279 15.471 8.666 1.00 0.00 C ATOM 493 O ALA A 63 -2.061 16.395 8.928 1.00 0.00 O ATOM 494 CB ALA A 63 1.146 16.221 8.592 1.00 0.00 C ATOM 0 H ALA A 63 1.479 13.848 8.935 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.037 15.752 10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.824 17.262 8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.093 16.147 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.275 15.857 7.573 1.00 0.00 H new ATOM 495 N ALA A 64 -1.640 14.380 7.733 1.00 0.00 N ATOM 496 CA ALA A 64 -2.981 14.250 7.169 1.00 0.00 C ATOM 497 C ALA A 64 -3.934 13.743 8.236 1.00 0.00 C ATOM 498 O ALA A 64 -5.073 14.203 8.386 1.00 0.00 O ATOM 499 CB ALA A 64 -2.892 13.308 5.959 1.00 0.00 C ATOM 0 H ALA A 64 -0.987 13.659 7.427 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.371 15.210 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.881 13.191 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.210 13.729 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.522 12.335 6.282 1.00 0.00 H new ATOM 500 N GLY A 65 -3.387 12.670 9.100 1.00 0.00 N ATOM 501 CA GLY A 65 -4.109 12.165 10.265 1.00 0.00 C ATOM 502 C GLY A 65 -4.532 10.726 10.012 1.00 0.00 C ATOM 503 O GLY A 65 -5.600 10.260 10.426 1.00 0.00 O ATOM 0 H GLY A 65 -2.485 12.221 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.476 12.219 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.985 12.784 10.461 1.00 0.00 H new ATOM 504 N PHE A 66 -3.583 9.936 9.196 1.00 0.00 N ATOM 505 CA PHE A 66 -3.892 8.602 8.697 1.00 0.00 C ATOM 506 C PHE A 66 -3.217 7.532 9.514 1.00 0.00 C ATOM 507 O PHE A 66 -2.790 7.797 10.668 1.00 0.00 O ATOM 508 CB PHE A 66 -3.399 8.476 7.216 1.00 0.00 C ATOM 509 CG PHE A 66 -4.184 7.491 6.339 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.398 6.958 6.786 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.680 7.110 5.092 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.100 6.058 5.992 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.382 6.211 4.297 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.590 5.686 4.749 1.00 0.00 C ATOM 0 H PHE A 66 -2.657 10.271 8.931 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.971 8.464 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.442 9.462 6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.352 8.173 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.791 7.246 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.741 7.516 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.038 5.648 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.992 5.921 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.135 4.986 4.133 1.00 0.00 H new ATOM 515 N ARG A 67 -3.095 6.158 8.967 1.00 0.00 N ATOM 516 CA ARG A 67 -2.269 5.148 9.632 1.00 0.00 C ATOM 517 C ARG A 67 -1.022 4.873 8.816 1.00 0.00 C ATOM 518 O ARG A 67 -1.084 4.668 7.598 1.00 0.00 O ATOM 519 CB ARG A 67 -3.049 3.839 9.916 1.00 0.00 C ATOM 520 CG ARG A 67 -4.558 4.034 10.229 1.00 0.00 C ATOM 521 CD ARG A 67 -5.432 3.839 8.985 1.00 0.00 C ATOM 522 NE ARG A 67 -6.835 4.167 9.340 1.00 0.00 N ATOM 523 CZ ARG A 67 -7.319 5.389 9.518 1.00 0.00 C ATOM 524 NH1 ARG A 67 -6.619 6.479 9.404 1.00 0.00 N ATOM 525 NH2 ARG A 67 -8.563 5.497 9.824 1.00 0.00 N ATOM 0 H ARG A 67 -3.562 5.835 8.120 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.976 5.551 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.954 3.181 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.581 3.329 10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.863 3.327 11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.719 5.034 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.086 4.481 8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.361 2.811 8.630 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.482 3.387 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.629 6.427 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.060 7.386 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.139 4.661 9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.974 6.419 9.969 1.00 0.00 H new ATOM 526 N PRO A 68 0.249 4.898 9.568 1.00 0.00 N ATOM 527 CA PRO A 68 1.652 4.667 8.990 1.00 0.00 C ATOM 528 C PRO A 68 2.035 3.206 8.860 1.00 0.00 C ATOM 529 O PRO A 68 2.963 2.703 9.506 1.00 0.00 O ATOM 530 CB PRO A 68 2.603 5.343 9.968 1.00 0.00 C ATOM 531 CG PRO A 68 1.921 4.987 11.304 1.00 0.00 C ATOM 532 CD PRO A 68 0.425 5.155 11.018 1.00 0.00 C ATOM 0 HA PRO A 68 1.692 5.068 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.617 4.949 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.668 6.419 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.156 3.968 11.612 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.250 5.647 12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.165 4.457 11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.089 6.159 11.279 1.00 0.00 H new ATOM 533 N CYS A 69 1.193 2.409 7.937 1.00 0.00 N ATOM 534 CA CYS A 69 1.557 1.035 7.578 1.00 0.00 C ATOM 535 C CYS A 69 3.048 0.947 7.334 1.00 0.00 C ATOM 536 O CYS A 69 3.613 1.339 6.304 1.00 0.00 O ATOM 537 CB CYS A 69 0.652 0.589 6.417 1.00 0.00 C ATOM 538 SG CYS A 69 0.721 -1.181 6.095 1.00 0.00 S ATOM 0 H CYS A 69 0.334 2.749 7.504 1.00 0.00 H new ATOM 0 HA CYS A 69 1.378 0.326 8.386 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.377 0.870 6.640 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.941 1.127 5.514 1.00 0.00 H new ATOM 0 HG CYS A 69 1.524 -1.410 5.098 1.00 0.00 H new ATOM 539 N LYS A 70 3.834 0.383 8.475 1.00 0.00 N ATOM 540 CA LYS A 70 5.289 0.373 8.534 1.00 0.00 C ATOM 541 C LYS A 70 5.850 -0.888 7.921 1.00 0.00 C ATOM 542 O LYS A 70 6.335 -0.874 6.770 1.00 0.00 O ATOM 543 CB LYS A 70 5.749 0.522 10.012 1.00 0.00 C ATOM 544 CG LYS A 70 6.600 1.790 10.268 1.00 0.00 C ATOM 545 CD LYS A 70 7.833 1.929 9.371 1.00 0.00 C ATOM 546 CE LYS A 70 8.935 0.989 9.878 1.00 0.00 C ATOM 547 NZ LYS A 70 10.246 1.473 9.409 1.00 0.00 N ATOM 0 H LYS A 70 3.394 -0.036 9.294 1.00 0.00 H new ATOM 0 HA LYS A 70 5.670 1.214 7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.871 0.547 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.327 -0.358 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.968 2.668 10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.924 1.789 11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.577 1.685 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.187 2.960 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.919 0.946 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.759 -0.024 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.994 0.837 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.257 1.492 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.413 2.432 9.775 1.00 0.00 H new ATOM 548 N ARG A 71 5.833 -2.116 8.742 1.00 0.00 N ATOM 549 CA ARG A 71 6.184 -3.421 8.140 1.00 0.00 C ATOM 550 C ARG A 71 5.158 -3.702 7.061 1.00 0.00 C ATOM 551 O ARG A 71 5.443 -3.619 5.861 1.00 0.00 O ATOM 552 CB ARG A 71 6.213 -4.506 9.239 1.00 0.00 C ATOM 553 CG ARG A 71 7.622 -5.059 9.592 1.00 0.00 C ATOM 554 CD ARG A 71 7.989 -6.306 8.779 1.00 0.00 C ATOM 555 NE ARG A 71 8.044 -7.471 9.697 1.00 0.00 N ATOM 556 CZ ARG A 71 9.088 -7.824 10.434 1.00 0.00 C ATOM 557 NH1 ARG A 71 10.220 -7.185 10.456 1.00 0.00 N ATOM 558 NH2 ARG A 71 8.967 -8.869 11.173 1.00 0.00 N ATOM 0 H ARG A 71 5.590 -2.148 9.732 1.00 0.00 H new ATOM 0 HA ARG A 71 7.177 -3.415 7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.765 -4.095 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.584 -5.338 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.367 -4.283 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.658 -5.300 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.251 -6.477 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.951 -6.167 8.287 1.00 0.00 H new ATOM 0 HE ARG A 71 7.207 -8.050 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.347 -6.353 9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.981 -7.516 11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.091 -9.392 11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.747 -9.175 11.755 1.00 0.00 H new ATOM 559 N CYS A 72 3.825 -4.121 7.543 1.00 0.00 N ATOM 560 CA CYS A 72 2.647 -4.202 6.697 1.00 0.00 C ATOM 561 C CYS A 72 1.447 -4.709 7.489 1.00 0.00 C ATOM 562 O CYS A 72 0.749 -5.659 7.114 1.00 0.00 O ATOM 563 CB CYS A 72 2.942 -4.970 5.398 1.00 0.00 C ATOM 564 SG CYS A 72 3.131 -3.798 4.012 1.00 0.00 S ATOM 0 H CYS A 72 3.645 -4.383 8.512 1.00 0.00 H new ATOM 0 HA CYS A 72 2.369 -3.202 6.366 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.851 -5.560 5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.133 -5.669 5.187 1.00 0.00 H new ATOM 0 HG CYS A 72 4.245 -3.141 4.148 1.00 0.00 H new