USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 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 53 SER OG : rot -120:sc= 0.325 USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -2 USER MOD Set 2.1: A 38 CYS SG : rot 110:sc= -0.335 USER MOD Set 2.2: A 42 CYS SG : rot -39:sc= -1.99! USER MOD Set 2.3: A 69 CYS SG : rot 180:sc= -0.0189 USER MOD Set 2.4: A 72 CYS SG : rot 69:sc= -1.79! USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= -0.102 USER MOD Set 3.2: A 51 ASN : amide:sc= -9.93! C(o=-10!,f=-11!) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.414 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 14 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.8) USER MOD Single : A 15 SER OG : rot 68:sc= 0.919 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 46 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-6.1!) USER MOD Single : A 57 ASN : amide:sc= -4.66! C(o=-4.7!,f=-9.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N THR A 8 7.011 12.200 -12.115 1.00 0.00 N ATOM 54 CA THR A 8 6.640 12.358 -10.712 1.00 0.00 C ATOM 55 C THR A 8 5.697 11.261 -10.274 1.00 0.00 C ATOM 56 O THR A 8 6.071 10.333 -9.545 1.00 0.00 O ATOM 57 CB THR A 8 6.004 13.767 -10.466 1.00 0.00 C ATOM 58 OG1 THR A 8 5.234 14.170 -11.592 1.00 0.00 O ATOM 59 CG2 THR A 8 6.990 14.933 -10.235 1.00 0.00 C ATOM 0 HA THR A 8 7.546 12.281 -10.112 1.00 0.00 H new ATOM 0 HB THR A 8 5.429 13.609 -9.553 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.573 13.725 -12.397 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.432 15.856 -10.077 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.602 14.724 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.633 15.044 -11.108 1.00 0.00 H new ATOM 60 N ASP A 9 4.296 11.377 -10.734 1.00 0.00 N ATOM 61 CA ASP A 9 3.282 10.387 -10.381 1.00 0.00 C ATOM 62 C ASP A 9 3.633 9.031 -10.946 1.00 0.00 C ATOM 63 O ASP A 9 3.318 7.982 -10.367 1.00 0.00 O ATOM 64 CB ASP A 9 1.880 10.861 -10.844 1.00 0.00 C ATOM 65 CG ASP A 9 1.514 10.600 -12.312 1.00 0.00 C ATOM 66 OD1 ASP A 9 2.311 11.285 -13.187 1.00 0.00 O ATOM 67 OD2 ASP A 9 0.596 9.867 -12.650 1.00 0.00 O ATOM 0 H ASP A 9 3.952 12.140 -11.316 1.00 0.00 H new ATOM 0 HA ASP A 9 3.255 10.285 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.132 10.377 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.805 11.933 -10.660 1.00 0.00 H new ATOM 68 N ASP A 10 4.405 9.025 -12.208 1.00 0.00 N ATOM 69 CA ASP A 10 4.742 7.785 -12.901 1.00 0.00 C ATOM 70 C ASP A 10 5.755 6.986 -12.115 1.00 0.00 C ATOM 71 O ASP A 10 5.553 5.809 -11.789 1.00 0.00 O ATOM 72 CB ASP A 10 5.238 8.091 -14.338 1.00 0.00 C ATOM 73 CG ASP A 10 5.557 6.882 -15.230 1.00 0.00 C ATOM 74 OD1 ASP A 10 5.083 5.772 -15.041 1.00 0.00 O ATOM 75 OD2 ASP A 10 6.419 7.186 -16.246 1.00 0.00 O ATOM 0 H ASP A 10 4.746 9.869 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 10 3.844 7.173 -12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.479 8.693 -14.839 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.135 8.706 -14.265 1.00 0.00 H new ATOM 76 N GLN A 11 7.022 7.678 -11.787 1.00 0.00 N ATOM 77 CA GLN A 11 8.119 7.018 -11.086 1.00 0.00 C ATOM 78 C GLN A 11 7.663 6.479 -9.749 1.00 0.00 C ATOM 79 O GLN A 11 7.940 5.335 -9.364 1.00 0.00 O ATOM 80 CB GLN A 11 9.266 8.037 -10.902 1.00 0.00 C ATOM 81 CG GLN A 11 8.979 9.227 -9.927 1.00 0.00 C ATOM 82 CD GLN A 11 10.151 10.044 -9.369 1.00 0.00 C ATOM 83 OE1 GLN A 11 10.106 10.529 -8.250 1.00 0.00 O ATOM 84 NE2 GLN A 11 11.213 10.252 -10.106 1.00 0.00 N ATOM 0 H GLN A 11 7.210 8.651 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 11 8.468 6.169 -11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.145 7.503 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.520 8.448 -11.879 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.314 9.920 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.425 8.827 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.269 9.855 -11.044 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.985 10.811 -9.742 1.00 0.00 H new ATOM 85 N ARG A 12 6.889 7.418 -8.907 1.00 0.00 N ATOM 86 CA ARG A 12 6.291 7.049 -7.631 1.00 0.00 C ATOM 87 C ARG A 12 5.666 5.672 -7.665 1.00 0.00 C ATOM 88 O ARG A 12 6.155 4.670 -7.100 1.00 0.00 O ATOM 89 CB ARG A 12 5.189 8.104 -7.297 1.00 0.00 C ATOM 90 CG ARG A 12 5.629 9.381 -6.543 1.00 0.00 C ATOM 91 CD ARG A 12 7.024 9.309 -5.912 1.00 0.00 C ATOM 92 NE ARG A 12 7.113 10.364 -4.866 1.00 0.00 N ATOM 93 CZ ARG A 12 7.151 11.671 -5.088 1.00 0.00 C ATOM 94 NH1 ARG A 12 7.122 12.216 -6.267 1.00 0.00 N ATOM 95 NH2 ARG A 12 7.220 12.444 -4.063 1.00 0.00 N ATOM 0 H ARG A 12 6.724 8.390 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 12 7.075 7.029 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.721 8.410 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.420 7.611 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.603 10.222 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.902 9.591 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.194 8.325 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.793 9.459 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 12 7.148 10.055 -3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.066 11.629 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.155 13.231 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.243 12.045 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.251 13.456 -4.188 1.00 0.00 H new ATOM 96 N TRP A 13 4.400 5.568 -8.428 1.00 0.00 N ATOM 97 CA TRP A 13 3.572 4.371 -8.354 1.00 0.00 C ATOM 98 C TRP A 13 4.154 3.245 -9.167 1.00 0.00 C ATOM 99 O TRP A 13 3.855 2.059 -8.940 1.00 0.00 O ATOM 100 CB TRP A 13 2.128 4.740 -8.828 1.00 0.00 C ATOM 101 CG TRP A 13 1.291 3.459 -8.991 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.034 2.796 -10.207 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.751 2.677 -7.996 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.326 1.597 -9.993 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.168 1.541 -8.615 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.737 2.826 -6.584 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.443 0.550 -7.815 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.113 1.840 -5.821 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.472 0.719 -6.427 1.00 0.00 C ATOM 0 H TRP A 13 4.035 6.301 -9.036 1.00 0.00 H new ATOM 0 HA TRP A 13 3.536 4.014 -7.325 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.656 5.404 -8.104 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.172 5.280 -9.774 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.340 3.159 -11.177 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.004 0.925 -10.690 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.198 3.682 -6.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.882 -0.326 -8.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.080 1.941 -4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.953 -0.027 -5.811 1.00 0.00 H new ATOM 110 N GLN A 14 5.067 3.610 -10.275 1.00 0.00 N ATOM 111 CA GLN A 14 5.842 2.594 -10.985 1.00 0.00 C ATOM 112 C GLN A 14 6.761 1.897 -9.991 1.00 0.00 C ATOM 113 O GLN A 14 7.061 0.701 -10.090 1.00 0.00 O ATOM 114 CB GLN A 14 6.662 3.240 -12.116 1.00 0.00 C ATOM 115 CG GLN A 14 7.778 2.344 -12.756 1.00 0.00 C ATOM 116 CD GLN A 14 9.193 2.385 -12.168 1.00 0.00 C ATOM 117 OE1 GLN A 14 9.398 2.830 -11.049 1.00 0.00 O ATOM 118 NE2 GLN A 14 10.207 1.940 -12.865 1.00 0.00 N ATOM 0 H GLN A 14 5.212 4.564 -10.607 1.00 0.00 H new ATOM 0 HA GLN A 14 5.168 1.864 -11.434 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.976 3.549 -12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.129 4.145 -11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.434 1.310 -12.714 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.852 2.613 -13.810 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.057 1.564 -13.801 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.148 1.969 -12.472 1.00 0.00 H new ATOM 119 N SER A 15 7.252 2.761 -8.890 1.00 0.00 N ATOM 120 CA SER A 15 7.986 2.215 -7.754 1.00 0.00 C ATOM 121 C SER A 15 7.123 1.227 -7.000 1.00 0.00 C ATOM 122 O SER A 15 7.638 0.256 -6.415 1.00 0.00 O ATOM 123 CB SER A 15 8.544 3.328 -6.835 1.00 0.00 C ATOM 124 OG SER A 15 9.584 4.094 -7.455 1.00 0.00 O ATOM 0 H SER A 15 7.113 3.771 -8.854 1.00 0.00 H new ATOM 0 HA SER A 15 8.855 1.678 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.732 3.995 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.928 2.878 -5.920 1.00 0.00 H new ATOM 0 HG SER A 15 9.207 4.626 -8.187 1.00 0.00 H new ATOM 125 N VAL A 16 5.656 1.492 -6.952 1.00 0.00 N ATOM 126 CA VAL A 16 4.755 0.469 -6.402 1.00 0.00 C ATOM 127 C VAL A 16 4.704 -0.764 -7.268 1.00 0.00 C ATOM 128 O VAL A 16 5.155 -1.883 -6.866 1.00 0.00 O ATOM 129 CB VAL A 16 3.355 1.034 -5.961 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.659 0.268 -4.784 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.397 2.507 -5.483 1.00 0.00 C ATOM 0 H VAL A 16 5.203 2.347 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 16 5.193 0.135 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 16 2.793 0.912 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.702 0.738 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.494 -0.770 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.296 0.302 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.395 2.825 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.064 2.592 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.761 3.141 -6.291 1.00 0.00 H new ATOM 132 N LEU A 17 4.135 -0.668 -8.626 1.00 0.00 N ATOM 133 CA LEU A 17 3.893 -1.866 -9.463 1.00 0.00 C ATOM 134 C LEU A 17 5.142 -2.704 -9.536 1.00 0.00 C ATOM 135 O LEU A 17 5.160 -3.929 -9.362 1.00 0.00 O ATOM 136 CB LEU A 17 3.417 -1.471 -10.890 1.00 0.00 C ATOM 137 CG LEU A 17 2.098 -0.658 -11.014 1.00 0.00 C ATOM 138 CD1 LEU A 17 1.657 -0.589 -12.482 1.00 0.00 C ATOM 139 CD2 LEU A 17 0.962 -1.243 -10.160 1.00 0.00 C ATOM 0 H LEU A 17 3.875 0.213 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 17 3.099 -2.451 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.212 -0.893 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.302 -2.386 -11.470 1.00 0.00 H new ATOM 0 HG LEU A 17 2.306 0.344 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.732 -0.017 -12.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.433 -0.103 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.492 -1.598 -12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.065 -0.637 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.757 -2.265 -10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.258 -1.243 -9.111 1.00 0.00 H new ATOM 205 N PHE A 27 9.863 7.229 0.687 1.00 0.00 N ATOM 206 CA PHE A 27 8.566 7.558 0.094 1.00 0.00 C ATOM 207 C PHE A 27 7.462 6.645 0.558 1.00 0.00 C ATOM 208 O PHE A 27 7.661 5.504 0.996 1.00 0.00 O ATOM 209 CB PHE A 27 8.682 7.655 -1.449 1.00 0.00 C ATOM 210 CG PHE A 27 8.151 6.538 -2.358 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.934 5.418 -2.649 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.880 6.659 -2.933 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.448 4.428 -3.500 1.00 0.00 C ATOM 214 CE2 PHE A 27 6.396 5.670 -3.782 1.00 0.00 C ATOM 215 CZ PHE A 27 7.182 4.556 -4.068 1.00 0.00 C ATOM 0 HA PHE A 27 8.274 8.544 0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.180 8.575 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.740 7.779 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.917 5.320 -2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.272 7.525 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.053 3.561 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.413 5.765 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.809 3.790 -4.732 1.00 0.00 H new ATOM 216 N VAL A 28 6.084 7.194 0.449 1.00 0.00 N ATOM 217 CA VAL A 28 4.907 6.563 1.043 1.00 0.00 C ATOM 218 C VAL A 28 3.718 6.684 0.116 1.00 0.00 C ATOM 219 O VAL A 28 3.676 7.585 -0.748 1.00 0.00 O ATOM 220 CB VAL A 28 4.607 7.266 2.428 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.853 7.588 3.307 1.00 0.00 C ATOM 222 CG2 VAL A 28 3.851 8.610 2.296 1.00 0.00 C ATOM 0 H VAL A 28 5.871 8.056 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 28 5.096 5.501 1.203 1.00 0.00 H new ATOM 0 HB VAL A 28 3.999 6.500 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.532 8.068 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.381 6.664 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.519 8.258 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.682 9.031 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.445 9.305 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.893 8.442 1.805 1.00 0.00 H new ATOM 223 N PHE A 29 2.606 5.720 0.261 1.00 0.00 N ATOM 224 CA PHE A 29 1.424 5.726 -0.603 1.00 0.00 C ATOM 225 C PHE A 29 0.181 5.451 0.211 1.00 0.00 C ATOM 226 O PHE A 29 0.173 4.575 1.097 1.00 0.00 O ATOM 227 CB PHE A 29 1.559 4.627 -1.699 1.00 0.00 C ATOM 228 CG PHE A 29 1.040 3.226 -1.337 1.00 0.00 C ATOM 229 CD1 PHE A 29 1.829 2.377 -0.555 1.00 0.00 C ATOM 230 CD2 PHE A 29 -0.189 2.773 -1.823 1.00 0.00 C ATOM 231 CE1 PHE A 29 1.390 1.092 -0.253 1.00 0.00 C ATOM 232 CE2 PHE A 29 -0.626 1.486 -1.522 1.00 0.00 C ATOM 233 CZ PHE A 29 0.161 0.648 -0.735 1.00 0.00 C ATOM 0 H PHE A 29 2.590 4.989 0.972 1.00 0.00 H new ATOM 0 HA PHE A 29 1.345 6.707 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.030 4.967 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.612 4.541 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.783 2.720 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.800 3.422 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.001 0.440 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.576 1.137 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.183 -0.348 -0.498 1.00 0.00 H new ATOM 234 N ALA A 30 -1.018 6.272 -0.065 1.00 0.00 N ATOM 235 CA ALA A 30 -2.213 6.198 0.771 1.00 0.00 C ATOM 236 C ALA A 30 -3.428 5.829 -0.048 1.00 0.00 C ATOM 237 O ALA A 30 -3.932 6.616 -0.862 1.00 0.00 O ATOM 238 CB ALA A 30 -2.368 7.546 1.494 1.00 0.00 C ATOM 0 H ALA A 30 -1.089 6.930 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.113 5.408 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.255 7.519 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.488 7.732 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.471 8.344 0.758 1.00 0.00 H new ATOM 239 N VAL A 31 -4.004 4.491 0.207 1.00 0.00 N ATOM 240 CA VAL A 31 -5.234 4.043 -0.445 1.00 0.00 C ATOM 241 C VAL A 31 -6.425 4.284 0.451 1.00 0.00 C ATOM 242 O VAL A 31 -6.589 3.632 1.497 1.00 0.00 O ATOM 243 CB VAL A 31 -5.105 2.517 -0.830 1.00 0.00 C ATOM 244 CG1 VAL A 31 -5.208 1.496 0.338 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.136 2.038 -1.880 1.00 0.00 C ATOM 0 H VAL A 31 -3.591 3.806 0.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.388 4.618 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.089 2.517 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.104 0.484 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.415 1.689 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.177 1.599 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.979 0.980 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.144 2.186 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.012 2.611 -2.799 1.00 0.00 H new ATOM 246 N ARG A 32 -7.379 5.339 0.040 1.00 0.00 N ATOM 247 CA ARG A 32 -8.460 5.775 0.921 1.00 0.00 C ATOM 248 C ARG A 32 -9.688 4.903 0.817 1.00 0.00 C ATOM 249 O ARG A 32 -10.818 5.350 1.101 1.00 0.00 O ATOM 250 CB ARG A 32 -8.798 7.258 0.600 1.00 0.00 C ATOM 251 CG ARG A 32 -9.885 7.454 -0.491 1.00 0.00 C ATOM 252 CD ARG A 32 -9.769 8.806 -1.205 1.00 0.00 C ATOM 253 NE ARG A 32 -10.933 8.957 -2.115 1.00 0.00 N ATOM 254 CZ ARG A 32 -10.955 9.685 -3.222 1.00 0.00 C ATOM 255 NH1 ARG A 32 -9.945 10.370 -3.671 1.00 0.00 N ATOM 256 NH2 ARG A 32 -12.052 9.712 -3.893 1.00 0.00 N ATOM 0 H ARG A 32 -7.347 5.819 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.118 5.683 1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.129 7.747 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.887 7.763 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.806 6.652 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.871 7.372 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.748 9.618 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.838 8.858 -1.769 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.787 8.458 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.061 10.369 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.036 10.908 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.862 9.185 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.112 10.260 -4.751 1.00 0.00 H new ATOM 257 N THR A 33 -9.505 3.496 0.405 1.00 0.00 N ATOM 258 CA THR A 33 -10.637 2.581 0.248 1.00 0.00 C ATOM 259 C THR A 33 -10.668 1.586 1.385 1.00 0.00 C ATOM 260 O THR A 33 -11.729 1.217 1.908 1.00 0.00 O ATOM 261 CB THR A 33 -10.572 1.853 -1.135 1.00 0.00 C ATOM 262 OG1 THR A 33 -11.061 2.700 -2.169 1.00 0.00 O ATOM 263 CG2 THR A 33 -11.408 0.560 -1.270 1.00 0.00 C ATOM 0 H THR A 33 -8.597 3.077 0.207 1.00 0.00 H new ATOM 0 HA THR A 33 -11.560 3.161 0.276 1.00 0.00 H new ATOM 0 HB THR A 33 -9.515 1.597 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.012 2.230 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.282 0.148 -2.271 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.072 -0.169 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.461 0.788 -1.102 1.00 0.00 H new ATOM 264 N THR A 34 -9.352 1.085 1.841 1.00 0.00 N ATOM 265 CA THR A 34 -9.195 0.262 3.034 1.00 0.00 C ATOM 266 C THR A 34 -8.692 1.088 4.196 1.00 0.00 C ATOM 267 O THR A 34 -8.625 0.615 5.342 1.00 0.00 O ATOM 268 CB THR A 34 -8.240 -0.946 2.751 1.00 0.00 C ATOM 269 OG1 THR A 34 -8.774 -1.770 1.722 1.00 0.00 O ATOM 270 CG2 THR A 34 -7.989 -1.912 3.929 1.00 0.00 C ATOM 0 H THR A 34 -8.477 1.281 1.355 1.00 0.00 H new ATOM 0 HA THR A 34 -10.173 -0.136 3.304 1.00 0.00 H new ATOM 0 HB THR A 34 -7.302 -0.452 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.166 -2.520 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.313 -2.706 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.541 -1.365 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.935 -2.348 4.250 1.00 0.00 H new ATOM 271 N GLY A 35 -8.248 2.468 3.901 1.00 0.00 N ATOM 272 CA GLY A 35 -7.911 3.414 4.960 1.00 0.00 C ATOM 273 C GLY A 35 -6.596 3.085 5.624 1.00 0.00 C ATOM 274 O GLY A 35 -6.493 3.025 6.862 1.00 0.00 O ATOM 0 H GLY A 35 -8.150 2.843 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.864 4.420 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.703 3.416 5.709 1.00 0.00 H new ATOM 275 N ILE A 36 -5.429 2.871 4.742 1.00 0.00 N ATOM 276 CA ILE A 36 -4.069 2.723 5.262 1.00 0.00 C ATOM 277 C ILE A 36 -3.096 3.534 4.441 1.00 0.00 C ATOM 278 O ILE A 36 -3.233 3.628 3.199 1.00 0.00 O ATOM 279 CB ILE A 36 -3.633 1.204 5.360 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.130 0.565 4.027 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.760 0.291 5.939 1.00 0.00 C ATOM 282 CD1 ILE A 36 -1.955 -0.426 4.157 1.00 0.00 C ATOM 0 H ILE A 36 -5.494 2.813 3.726 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.058 3.113 6.280 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.786 1.247 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.966 0.048 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.831 1.367 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.407 -0.739 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.023 0.629 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.639 0.346 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.690 -0.807 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.096 0.084 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.248 -1.256 4.800 1.00 0.00 H new ATOM 283 N PHE A 37 -1.999 4.242 5.134 1.00 0.00 N ATOM 284 CA PHE A 37 -0.907 4.912 4.395 1.00 0.00 C ATOM 285 C PHE A 37 0.380 4.160 4.616 1.00 0.00 C ATOM 286 O PHE A 37 0.972 4.228 5.724 1.00 0.00 O ATOM 287 CB PHE A 37 -0.827 6.402 4.826 1.00 0.00 C ATOM 288 CG PHE A 37 -0.074 6.888 6.073 1.00 0.00 C ATOM 289 CD1 PHE A 37 -0.102 6.200 7.285 1.00 0.00 C ATOM 290 CD2 PHE A 37 0.603 8.120 6.003 1.00 0.00 C ATOM 291 CE1 PHE A 37 0.529 6.727 8.408 1.00 0.00 C ATOM 292 CE2 PHE A 37 1.224 8.651 7.127 1.00 0.00 C ATOM 293 CZ PHE A 37 1.188 7.952 8.331 1.00 0.00 C ATOM 0 H PHE A 37 -1.923 4.314 6.149 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.101 4.904 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.401 6.943 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.856 6.744 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.616 5.253 7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.640 8.658 5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.508 6.185 9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.733 9.602 7.067 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.672 8.360 9.206 1.00 0.00 H new ATOM 294 N CYS A 38 0.929 3.304 3.544 1.00 0.00 N ATOM 295 CA CYS A 38 2.046 2.380 3.763 1.00 0.00 C ATOM 296 C CYS A 38 3.183 2.684 2.823 1.00 0.00 C ATOM 297 O CYS A 38 3.026 3.438 1.842 1.00 0.00 O ATOM 298 CB CYS A 38 1.510 0.943 3.526 1.00 0.00 C ATOM 299 SG CYS A 38 2.723 -0.321 3.992 1.00 0.00 S ATOM 0 H CYS A 38 0.570 3.300 2.589 1.00 0.00 H new ATOM 0 HA CYS A 38 2.432 2.483 4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.596 0.798 4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.247 0.823 2.475 1.00 0.00 H new ATOM 0 HG CYS A 38 2.315 -0.941 5.059 1.00 0.00 H new ATOM 300 N ARG A 39 4.476 2.025 3.096 1.00 0.00 N ATOM 301 CA ARG A 39 5.545 2.032 2.082 1.00 0.00 C ATOM 302 C ARG A 39 5.135 1.091 0.957 1.00 0.00 C ATOM 303 O ARG A 39 4.084 0.410 0.992 1.00 0.00 O ATOM 304 CB ARG A 39 6.903 1.728 2.751 1.00 0.00 C ATOM 305 CG ARG A 39 7.525 0.337 2.445 1.00 0.00 C ATOM 306 CD ARG A 39 8.969 0.209 2.946 1.00 0.00 C ATOM 307 NE ARG A 39 8.961 -0.524 4.237 1.00 0.00 N ATOM 308 CZ ARG A 39 10.017 -0.736 5.010 1.00 0.00 C ATOM 309 NH1 ARG A 39 11.221 -0.326 4.739 1.00 0.00 N ATOM 310 NH2 ARG A 39 9.832 -1.392 6.101 1.00 0.00 N ATOM 0 H ARG A 39 4.708 1.542 3.964 1.00 0.00 H new ATOM 0 HA ARG A 39 5.683 3.012 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.614 2.495 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.781 1.818 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.915 -0.439 2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.501 0.162 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.577 -0.322 2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.413 1.196 3.074 1.00 0.00 H new ATOM 0 HE ARG A 39 8.067 -0.896 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.401 0.197 3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.986 -0.527 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.899 -1.727 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.618 -1.577 6.724 1.00 0.00 H new ATOM 311 N PRO A 40 6.019 1.029 -0.221 1.00 0.00 N ATOM 312 CA PRO A 40 5.852 0.217 -1.505 1.00 0.00 C ATOM 313 C PRO A 40 4.866 -0.916 -1.626 1.00 0.00 C ATOM 314 O PRO A 40 4.315 -1.116 -2.754 1.00 0.00 O ATOM 315 CB PRO A 40 7.266 -0.279 -1.826 1.00 0.00 C ATOM 316 CG PRO A 40 8.142 0.869 -1.309 1.00 0.00 C ATOM 317 CD PRO A 40 7.296 1.775 -0.410 1.00 0.00 C ATOM 0 HA PRO A 40 5.374 0.906 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.491 -1.220 -1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.405 -0.447 -2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.991 0.473 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.547 1.440 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.791 1.962 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.123 2.746 -0.875 1.00 0.00 H new ATOM 318 N SER A 41 4.503 -1.765 -0.472 1.00 0.00 N ATOM 319 CA SER A 41 3.510 -2.833 -0.576 1.00 0.00 C ATOM 320 C SER A 41 3.010 -3.337 0.756 1.00 0.00 C ATOM 321 O SER A 41 3.630 -3.200 1.817 1.00 0.00 O ATOM 322 CB SER A 41 4.063 -3.999 -1.441 1.00 0.00 C ATOM 323 OG SER A 41 3.152 -5.099 -1.539 1.00 0.00 O ATOM 0 H SER A 41 4.913 -1.664 0.456 1.00 0.00 H new ATOM 0 HA SER A 41 2.640 -2.396 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.287 -3.628 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.003 -4.349 -1.013 1.00 0.00 H new ATOM 0 HG SER A 41 3.548 -5.803 -2.094 1.00 0.00 H new ATOM 324 N CYS A 42 1.711 -4.065 0.713 1.00 0.00 N ATOM 325 CA CYS A 42 1.154 -4.799 1.839 1.00 0.00 C ATOM 326 C CYS A 42 0.797 -6.216 1.390 1.00 0.00 C ATOM 327 O CYS A 42 0.185 -6.426 0.335 1.00 0.00 O ATOM 328 CB CYS A 42 -0.056 -4.105 2.489 1.00 0.00 C ATOM 329 SG CYS A 42 0.245 -2.360 2.820 1.00 0.00 S ATOM 0 H CYS A 42 1.122 -4.095 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 42 1.919 -4.833 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.922 -4.203 1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.303 -4.611 3.422 1.00 0.00 H new ATOM 0 HG CYS A 42 1.463 -2.203 3.246 1.00 0.00 H new ATOM 330 N ARG A 43 1.264 -7.299 2.276 1.00 0.00 N ATOM 331 CA ARG A 43 1.155 -8.709 1.901 1.00 0.00 C ATOM 332 C ARG A 43 -0.262 -9.209 2.024 1.00 0.00 C ATOM 333 O ARG A 43 -0.543 -10.408 1.852 1.00 0.00 O ATOM 334 CB ARG A 43 2.183 -9.508 2.749 1.00 0.00 C ATOM 335 CG ARG A 43 3.460 -8.700 3.123 1.00 0.00 C ATOM 336 CD ARG A 43 4.285 -9.385 4.219 1.00 0.00 C ATOM 337 NE ARG A 43 5.705 -9.427 3.788 1.00 0.00 N ATOM 338 CZ ARG A 43 6.738 -9.715 4.569 1.00 0.00 C ATOM 339 NH1 ARG A 43 6.645 -10.002 5.834 1.00 0.00 N ATOM 340 NH2 ARG A 43 7.907 -9.706 4.034 1.00 0.00 N ATOM 0 H ARG A 43 1.686 -7.141 3.191 1.00 0.00 H new ATOM 0 HA ARG A 43 1.398 -8.849 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.698 -9.846 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.479 -10.400 2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.078 -8.570 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.171 -7.704 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.191 -8.841 5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.914 -10.394 4.397 1.00 0.00 H new ATOM 0 HE ARG A 43 5.903 -9.217 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.732 -10.016 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.485 -10.214 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.013 -9.483 3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.728 -9.922 4.599 1.00 0.00 H new ATOM 341 N ALA A 44 -1.302 -8.213 2.358 1.00 0.00 N ATOM 342 CA ALA A 44 -2.726 -8.517 2.314 1.00 0.00 C ATOM 343 C ALA A 44 -3.268 -8.282 0.915 1.00 0.00 C ATOM 344 O ALA A 44 -2.542 -7.982 -0.040 1.00 0.00 O ATOM 345 CB ALA A 44 -3.423 -7.627 3.360 1.00 0.00 C ATOM 0 H ALA A 44 -1.092 -7.255 2.639 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.913 -9.565 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.494 -7.829 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.018 -7.843 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.250 -6.578 3.118 1.00 0.00 H new ATOM 346 N ARG A 45 -4.734 -8.481 0.778 1.00 0.00 N ATOM 347 CA ARG A 45 -5.439 -8.192 -0.465 1.00 0.00 C ATOM 348 C ARG A 45 -4.900 -6.935 -1.110 1.00 0.00 C ATOM 349 O ARG A 45 -4.678 -6.875 -2.328 1.00 0.00 O ATOM 350 CB ARG A 45 -6.959 -8.069 -0.174 1.00 0.00 C ATOM 351 CG ARG A 45 -7.322 -7.174 1.040 1.00 0.00 C ATOM 352 CD ARG A 45 -8.701 -6.517 0.900 1.00 0.00 C ATOM 353 NE ARG A 45 -9.706 -7.583 0.658 1.00 0.00 N ATOM 354 CZ ARG A 45 -10.211 -7.923 -0.520 1.00 0.00 C ATOM 355 NH1 ARG A 45 -9.884 -7.364 -1.647 1.00 0.00 N ATOM 356 NH2 ARG A 45 -11.082 -8.869 -0.542 1.00 0.00 N ATOM 0 H ARG A 45 -5.332 -8.826 1.529 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.279 -9.009 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.453 -7.671 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.364 -9.067 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.301 -7.776 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.565 -6.399 1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.949 -5.960 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.699 -5.803 0.076 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.038 -8.101 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.196 -6.611 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.315 -7.679 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.360 -9.327 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.495 -9.161 -1.428 1.00 0.00 H new ATOM 357 N HIS A 46 -4.615 -5.798 -0.208 1.00 0.00 N ATOM 358 CA HIS A 46 -4.144 -4.508 -0.707 1.00 0.00 C ATOM 359 C HIS A 46 -5.093 -3.945 -1.737 1.00 0.00 C ATOM 360 O HIS A 46 -6.079 -4.584 -2.136 1.00 0.00 O ATOM 361 CB HIS A 46 -2.757 -4.762 -1.318 1.00 0.00 C ATOM 362 CG HIS A 46 -2.655 -4.320 -2.748 1.00 0.00 C ATOM 363 ND1 HIS A 46 -3.404 -4.817 -3.812 1.00 0.00 N ATOM 364 CD2 HIS A 46 -1.769 -3.336 -3.167 1.00 0.00 C ATOM 365 CE1 HIS A 46 -2.897 -4.078 -4.816 1.00 0.00 C ATOM 366 NE2 HIS A 46 -1.925 -3.173 -4.519 1.00 0.00 N ATOM 0 H HIS A 46 -4.726 -5.838 0.805 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.091 -3.773 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.005 -4.239 -0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.528 -5.826 -1.255 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.129 -5.535 -3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.078 -2.794 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.252 -4.200 -5.829 1.00 0.00 H new ATOM 367 N ALA A 47 -4.812 -2.574 -2.222 1.00 0.00 N ATOM 368 CA ALA A 47 -5.748 -1.858 -3.083 1.00 0.00 C ATOM 369 C ALA A 47 -5.052 -1.242 -4.274 1.00 0.00 C ATOM 370 O ALA A 47 -3.820 -1.253 -4.395 1.00 0.00 O ATOM 371 CB ALA A 47 -6.477 -0.818 -2.215 1.00 0.00 C ATOM 0 H ALA A 47 -3.967 -2.051 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.478 -2.547 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.186 -0.264 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.012 -1.325 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.750 -0.127 -1.787 1.00 0.00 H new ATOM 372 N LEU A 48 -5.930 -0.588 -5.271 1.00 0.00 N ATOM 373 CA LEU A 48 -5.434 -0.098 -6.553 1.00 0.00 C ATOM 374 C LEU A 48 -4.900 1.311 -6.445 1.00 0.00 C ATOM 375 O LEU A 48 -4.953 1.958 -5.390 1.00 0.00 O ATOM 376 CB LEU A 48 -6.551 -0.181 -7.635 1.00 0.00 C ATOM 377 CG LEU A 48 -8.031 -0.140 -7.167 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.260 1.061 -6.239 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.023 -0.084 -8.341 1.00 0.00 C ATOM 0 H LEU A 48 -6.929 -0.439 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.605 -0.739 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.400 0.642 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.404 -1.105 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.217 -1.069 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.301 1.079 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.612 0.975 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.029 1.983 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.042 -0.057 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.835 0.811 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.895 -0.967 -8.968 1.00 0.00 H new ATOM 380 N ARG A 49 -4.342 1.889 -7.688 1.00 0.00 N ATOM 381 CA ARG A 49 -3.877 3.270 -7.785 1.00 0.00 C ATOM 382 C ARG A 49 -4.999 4.207 -8.164 1.00 0.00 C ATOM 383 O ARG A 49 -4.779 5.365 -8.546 1.00 0.00 O ATOM 384 CB ARG A 49 -2.729 3.329 -8.837 1.00 0.00 C ATOM 385 CG ARG A 49 -3.088 2.717 -10.215 1.00 0.00 C ATOM 386 CD ARG A 49 -2.191 3.229 -11.352 1.00 0.00 C ATOM 387 NE ARG A 49 -2.810 4.455 -11.915 1.00 0.00 N ATOM 388 CZ ARG A 49 -2.819 4.803 -13.195 1.00 0.00 C ATOM 389 NH1 ARG A 49 -2.272 4.110 -14.148 1.00 0.00 N ATOM 390 NH2 ARG A 49 -3.411 5.902 -13.507 1.00 0.00 N ATOM 0 H ARG A 49 -4.246 1.361 -8.556 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.509 3.595 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.438 4.370 -8.980 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.860 2.807 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.007 1.632 -10.156 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.128 2.947 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.190 3.446 -10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.085 2.468 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.270 5.086 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.795 3.234 -13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.319 4.442 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.850 6.469 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.441 6.207 -14.480 1.00 0.00 H new ATOM 391 N GLU A 50 -6.374 3.680 -8.025 1.00 0.00 N ATOM 392 CA GLU A 50 -7.538 4.402 -8.528 1.00 0.00 C ATOM 393 C GLU A 50 -8.067 5.404 -7.531 1.00 0.00 C ATOM 394 O GLU A 50 -8.784 6.359 -7.901 1.00 0.00 O ATOM 395 CB GLU A 50 -8.630 3.363 -8.913 1.00 0.00 C ATOM 396 CG GLU A 50 -8.210 2.217 -9.893 1.00 0.00 C ATOM 397 CD GLU A 50 -8.379 2.445 -11.397 1.00 0.00 C ATOM 398 OE1 GLU A 50 -8.140 3.516 -11.940 1.00 0.00 O ATOM 399 OE2 GLU A 50 -8.818 1.346 -12.072 1.00 0.00 O ATOM 0 H GLU A 50 -6.596 2.792 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.243 4.979 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.000 2.905 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.466 3.901 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.160 1.990 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.780 1.327 -9.626 1.00 0.00 H new ATOM 400 N ASN A 51 -7.744 5.198 -6.113 1.00 0.00 N ATOM 401 CA ASN A 51 -8.261 6.060 -5.018 1.00 0.00 C ATOM 402 C ASN A 51 -7.076 6.407 -4.133 1.00 0.00 C ATOM 403 O ASN A 51 -7.212 6.782 -2.960 1.00 0.00 O ATOM 404 CB ASN A 51 -9.190 5.130 -4.191 1.00 0.00 C ATOM 405 CG ASN A 51 -8.454 4.077 -3.328 1.00 0.00 C ATOM 406 OD1 ASN A 51 -7.763 3.199 -3.818 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.601 4.140 -2.034 1.00 0.00 N ATOM 0 H ASN A 51 -7.139 4.444 -5.786 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.762 6.959 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.809 5.746 -3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.864 4.613 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.139 3.456 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.178 4.873 -1.621 1.00 0.00 H new ATOM 408 N VAL A 52 -5.744 6.209 -4.743 1.00 0.00 N ATOM 409 CA VAL A 52 -4.521 6.127 -3.953 1.00 0.00 C ATOM 410 C VAL A 52 -3.845 7.467 -3.862 1.00 0.00 C ATOM 411 O VAL A 52 -4.150 8.391 -4.659 1.00 0.00 O ATOM 412 CB VAL A 52 -3.587 4.994 -4.535 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.318 5.453 -5.301 1.00 0.00 C ATOM 414 CG2 VAL A 52 -3.085 3.983 -3.470 1.00 0.00 C ATOM 0 H VAL A 52 -5.594 6.118 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.765 5.849 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.280 4.538 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.766 4.579 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.610 6.061 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.685 6.042 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.450 3.237 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.513 4.512 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.939 3.489 -3.006 1.00 0.00 H new ATOM 415 N SER A 53 -2.788 7.671 -2.848 1.00 0.00 N ATOM 416 CA SER A 53 -1.972 8.885 -2.814 1.00 0.00 C ATOM 417 C SER A 53 -0.500 8.553 -2.832 1.00 0.00 C ATOM 418 O SER A 53 -0.093 7.385 -2.758 1.00 0.00 O ATOM 419 CB SER A 53 -2.349 9.778 -1.608 1.00 0.00 C ATOM 420 OG SER A 53 -1.660 11.035 -1.610 1.00 0.00 O ATOM 0 H SER A 53 -2.562 6.993 -2.120 1.00 0.00 H new ATOM 0 HA SER A 53 -2.183 9.458 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.424 9.958 -1.617 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.123 9.247 -0.684 1.00 0.00 H new ATOM 0 HG SER A 53 -1.124 11.116 -0.793 1.00 0.00 H new ATOM 421 N PHE A 54 0.434 9.694 -2.983 1.00 0.00 N ATOM 422 CA PHE A 54 1.879 9.518 -2.888 1.00 0.00 C ATOM 423 C PHE A 54 2.545 10.664 -2.162 1.00 0.00 C ATOM 424 O PHE A 54 2.100 11.820 -2.185 1.00 0.00 O ATOM 425 CB PHE A 54 2.508 9.393 -4.308 1.00 0.00 C ATOM 426 CG PHE A 54 1.862 8.377 -5.263 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.844 7.020 -4.923 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.302 8.791 -6.475 1.00 0.00 C ATOM 429 CE1 PHE A 54 1.268 6.089 -5.781 1.00 0.00 C ATOM 430 CE2 PHE A 54 0.727 7.857 -7.333 1.00 0.00 C ATOM 431 CZ PHE A 54 0.710 6.507 -6.986 1.00 0.00 C ATOM 0 H PHE A 54 0.137 10.654 -3.159 1.00 0.00 H new ATOM 0 HA PHE A 54 2.046 8.603 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.475 10.374 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.559 9.130 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.279 6.694 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.315 9.836 -6.746 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.254 5.043 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.294 8.179 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.263 5.784 -7.653 1.00 0.00 H new ATOM 432 N TYR A 55 3.767 10.317 -1.401 1.00 0.00 N ATOM 433 CA TYR A 55 4.528 11.278 -0.605 1.00 0.00 C ATOM 434 C TYR A 55 5.984 10.861 -0.545 1.00 0.00 C ATOM 435 O TYR A 55 6.322 9.685 -0.837 1.00 0.00 O ATOM 436 CB TYR A 55 3.964 11.345 0.844 1.00 0.00 C ATOM 437 CG TYR A 55 2.473 11.018 1.018 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.935 9.798 0.601 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.617 11.973 1.601 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.579 9.529 0.766 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.264 11.704 1.762 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.254 10.480 1.346 1.00 0.00 C ATOM 443 OH TYR A 55 -1.584 10.213 1.507 1.00 0.00 O ATOM 0 H TYR A 55 4.159 9.376 -1.384 1.00 0.00 H new ATOM 0 HA TYR A 55 4.443 12.258 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.538 10.658 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.140 12.348 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.576 9.057 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.016 12.923 1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.174 8.581 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.385 12.442 2.209 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.023 10.981 1.928 1.00 0.00 H new ATOM 444 N ALA A 56 7.021 11.853 -0.189 1.00 0.00 N ATOM 445 CA ALA A 56 8.428 11.488 0.007 1.00 0.00 C ATOM 446 C ALA A 56 8.673 10.894 1.372 1.00 0.00 C ATOM 447 O ALA A 56 9.643 10.142 1.583 1.00 0.00 O ATOM 448 CB ALA A 56 9.268 12.750 -0.254 1.00 0.00 C ATOM 0 H ALA A 56 6.828 12.846 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 56 8.719 10.704 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.324 12.519 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.101 13.094 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.975 13.533 0.445 1.00 0.00 H new ATOM 449 N ASN A 57 7.742 11.270 2.458 1.00 0.00 N ATOM 450 CA ASN A 57 7.820 10.656 3.784 1.00 0.00 C ATOM 451 C ASN A 57 6.444 10.455 4.373 1.00 0.00 C ATOM 452 O ASN A 57 5.458 11.075 3.947 1.00 0.00 O ATOM 453 CB ASN A 57 8.702 11.541 4.711 1.00 0.00 C ATOM 454 CG ASN A 57 8.814 11.117 6.179 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.499 11.857 7.099 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.267 9.924 6.455 1.00 0.00 N ATOM 0 H ASN A 57 7.002 11.965 2.358 1.00 0.00 H new ATOM 0 HA ASN A 57 8.278 9.671 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.707 11.574 4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.310 12.558 4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.353 9.623 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.535 9.293 5.700 1.00 0.00 H new ATOM 457 N ALA A 58 6.318 9.453 5.457 1.00 0.00 N ATOM 458 CA ALA A 58 5.059 9.218 6.156 1.00 0.00 C ATOM 459 C ALA A 58 4.623 10.417 6.963 1.00 0.00 C ATOM 460 O ALA A 58 3.417 10.643 7.177 1.00 0.00 O ATOM 461 CB ALA A 58 5.224 7.952 7.018 1.00 0.00 C ATOM 0 H ALA A 58 7.090 8.871 5.781 1.00 0.00 H new ATOM 0 HA ALA A 58 4.258 9.061 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.295 7.752 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.463 7.104 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.031 8.103 7.735 1.00 0.00 H new ATOM 462 N SER A 59 5.678 11.289 7.523 1.00 0.00 N ATOM 463 CA SER A 59 5.358 12.516 8.249 1.00 0.00 C ATOM 464 C SER A 59 4.362 13.358 7.486 1.00 0.00 C ATOM 465 O SER A 59 3.553 14.093 8.072 1.00 0.00 O ATOM 466 CB SER A 59 6.640 13.317 8.586 1.00 0.00 C ATOM 467 OG SER A 59 6.445 14.735 8.517 1.00 0.00 O ATOM 0 H SER A 59 6.676 11.097 7.442 1.00 0.00 H new ATOM 0 HA SER A 59 4.892 12.234 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.977 13.050 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.434 13.030 7.896 1.00 0.00 H new ATOM 0 HG SER A 59 7.283 15.192 8.740 1.00 0.00 H new ATOM 468 N GLU A 60 4.427 13.294 6.010 1.00 0.00 N ATOM 469 CA GLU A 60 3.528 14.068 5.157 1.00 0.00 C ATOM 470 C GLU A 60 2.132 13.493 5.161 1.00 0.00 C ATOM 471 O GLU A 60 1.162 14.138 5.588 1.00 0.00 O ATOM 472 CB GLU A 60 4.120 14.114 3.720 1.00 0.00 C ATOM 473 CG GLU A 60 3.109 14.254 2.535 1.00 0.00 C ATOM 474 CD GLU A 60 2.905 15.637 1.912 1.00 0.00 C ATOM 475 OE1 GLU A 60 3.722 16.159 1.165 1.00 0.00 O ATOM 476 OE2 GLU A 60 1.732 16.231 2.269 1.00 0.00 O ATOM 0 H GLU A 60 5.093 12.715 5.498 1.00 0.00 H new ATOM 0 HA GLU A 60 3.446 15.083 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.818 14.949 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.700 13.204 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.430 13.577 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.139 13.900 2.883 1.00 0.00 H new ATOM 477 N ALA A 61 1.969 12.139 4.587 1.00 0.00 N ATOM 478 CA ALA A 61 0.707 11.413 4.690 1.00 0.00 C ATOM 479 C ALA A 61 0.204 11.340 6.112 1.00 0.00 C ATOM 480 O ALA A 61 -0.977 11.002 6.350 1.00 0.00 O ATOM 481 CB ALA A 61 0.902 10.045 4.015 1.00 0.00 C ATOM 0 H ALA A 61 2.707 11.636 4.094 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.088 11.945 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.025 9.475 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.172 10.191 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.697 9.499 4.523 1.00 0.00 H new ATOM 482 N LEU A 62 1.121 11.712 7.211 1.00 0.00 N ATOM 483 CA LEU A 62 0.659 11.843 8.595 1.00 0.00 C ATOM 484 C LEU A 62 0.060 13.211 8.824 1.00 0.00 C ATOM 485 O LEU A 62 -0.963 13.370 9.503 1.00 0.00 O ATOM 486 CB LEU A 62 1.810 11.563 9.600 1.00 0.00 C ATOM 487 CG LEU A 62 1.436 11.025 11.009 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.178 9.710 11.286 1.00 0.00 C ATOM 489 CD2 LEU A 62 1.735 12.034 12.129 1.00 0.00 C ATOM 0 H LEU A 62 2.115 11.898 7.082 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.116 11.096 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.489 10.846 9.138 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.368 12.489 9.734 1.00 0.00 H new ATOM 0 HG LEU A 62 0.360 10.854 11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.909 9.342 12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.900 8.970 10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.253 9.883 11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.454 11.604 13.090 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.800 12.268 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.164 12.947 11.959 1.00 0.00 H new ATOM 490 N ALA A 63 0.791 14.352 8.233 1.00 0.00 N ATOM 491 CA ALA A 63 0.232 15.704 8.209 1.00 0.00 C ATOM 492 C ALA A 63 -1.162 15.683 7.625 1.00 0.00 C ATOM 493 O ALA A 63 -2.005 16.546 7.901 1.00 0.00 O ATOM 494 CB ALA A 63 1.197 16.605 7.423 1.00 0.00 C ATOM 0 H ALA A 63 1.716 14.274 7.811 1.00 0.00 H new ATOM 0 HA ALA A 63 0.132 16.106 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.802 17.620 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.171 16.610 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.304 16.225 6.407 1.00 0.00 H new ATOM 495 N ALA A 64 -1.453 14.571 6.688 1.00 0.00 N ATOM 496 CA ALA A 64 -2.796 14.311 6.180 1.00 0.00 C ATOM 497 C ALA A 64 -3.666 13.754 7.293 1.00 0.00 C ATOM 498 O ALA A 64 -4.837 14.110 7.467 1.00 0.00 O ATOM 499 CB ALA A 64 -2.671 13.348 4.990 1.00 0.00 C ATOM 0 H ALA A 64 -0.744 13.924 6.342 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.277 15.227 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.662 13.135 4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.056 13.805 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.206 12.419 5.321 1.00 0.00 H new ATOM 500 N GLY A 65 -2.992 12.772 8.176 1.00 0.00 N ATOM 501 CA GLY A 65 -3.619 12.253 9.388 1.00 0.00 C ATOM 502 C GLY A 65 -4.145 10.851 9.133 1.00 0.00 C ATOM 503 O GLY A 65 -5.236 10.466 9.574 1.00 0.00 O ATOM 0 H GLY A 65 -2.059 12.400 7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.897 12.238 10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.435 12.907 9.696 1.00 0.00 H new ATOM 504 N PHE A 66 -3.266 9.986 8.315 1.00 0.00 N ATOM 505 CA PHE A 66 -3.699 8.685 7.822 1.00 0.00 C ATOM 506 C PHE A 66 -3.218 7.552 8.692 1.00 0.00 C ATOM 507 O PHE A 66 -2.633 7.782 9.773 1.00 0.00 O ATOM 508 CB PHE A 66 -3.214 8.486 6.353 1.00 0.00 C ATOM 509 CG PHE A 66 -4.087 7.563 5.489 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.395 7.275 5.912 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.605 6.994 4.310 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.203 6.427 5.164 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.416 6.144 3.562 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.711 5.860 3.991 1.00 0.00 C ATOM 0 H PHE A 66 -2.315 10.239 8.047 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.788 8.669 7.853 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.160 9.462 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.201 8.084 6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.775 7.714 6.823 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.601 7.213 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.209 6.209 5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.041 5.705 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.336 5.197 3.411 1.00 0.00 H new ATOM 515 N ARG A 67 -3.450 6.167 8.230 1.00 0.00 N ATOM 516 CA ARG A 67 -3.189 5.017 9.106 1.00 0.00 C ATOM 517 C ARG A 67 -1.845 4.375 8.869 1.00 0.00 C ATOM 518 O ARG A 67 -1.605 3.687 7.869 1.00 0.00 O ATOM 519 CB ARG A 67 -4.358 4.008 8.941 1.00 0.00 C ATOM 520 CG ARG A 67 -4.044 2.531 9.290 1.00 0.00 C ATOM 521 CD ARG A 67 -3.137 2.373 10.516 1.00 0.00 C ATOM 522 NE ARG A 67 -3.305 0.994 11.043 1.00 0.00 N ATOM 523 CZ ARG A 67 -3.378 0.661 12.325 1.00 0.00 C ATOM 524 NH1 ARG A 67 -3.307 1.509 13.308 1.00 0.00 N ATOM 525 NH2 ARG A 67 -3.532 -0.584 12.606 1.00 0.00 N ATOM 0 H ARG A 67 -3.796 5.924 7.302 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.142 5.368 10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.187 4.339 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.703 4.050 7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.980 2.001 9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.568 2.056 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.097 2.552 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.398 3.106 11.279 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.370 0.239 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.187 2.504 13.116 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.371 1.180 14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.593 -1.272 11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.593 -0.883 13.579 1.00 0.00 H new ATOM 526 N PRO A 68 -0.826 4.588 9.928 1.00 0.00 N ATOM 527 CA PRO A 68 0.606 4.053 9.962 1.00 0.00 C ATOM 528 C PRO A 68 0.817 2.623 9.523 1.00 0.00 C ATOM 529 O PRO A 68 0.433 1.675 10.240 1.00 0.00 O ATOM 530 CB PRO A 68 1.035 4.150 11.437 1.00 0.00 C ATOM 531 CG PRO A 68 0.369 5.479 11.819 1.00 0.00 C ATOM 532 CD PRO A 68 -1.017 5.382 11.173 1.00 0.00 C ATOM 0 HA PRO A 68 1.179 4.644 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.670 3.314 12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.118 4.177 11.555 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.301 5.598 12.900 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.930 6.333 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.728 4.897 11.842 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.415 6.372 10.949 1.00 0.00 H new ATOM 533 N CYS A 69 1.522 2.373 8.248 1.00 0.00 N ATOM 534 CA CYS A 69 1.949 1.042 7.813 1.00 0.00 C ATOM 535 C CYS A 69 3.400 1.094 7.372 1.00 0.00 C ATOM 536 O CYS A 69 3.790 1.395 6.237 1.00 0.00 O ATOM 537 CB CYS A 69 0.929 0.527 6.788 1.00 0.00 C ATOM 538 SG CYS A 69 0.805 -1.268 6.694 1.00 0.00 S ATOM 0 H CYS A 69 1.757 3.114 7.587 1.00 0.00 H new ATOM 0 HA CYS A 69 1.949 0.304 8.615 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.052 0.934 7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.196 0.912 5.804 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.083 -1.596 5.803 1.00 0.00 H new ATOM 539 N LYS A 70 4.383 0.794 8.463 1.00 0.00 N ATOM 540 CA LYS A 70 5.826 0.905 8.283 1.00 0.00 C ATOM 541 C LYS A 70 6.372 -0.378 7.702 1.00 0.00 C ATOM 542 O LYS A 70 6.618 -0.472 6.480 1.00 0.00 O ATOM 543 CB LYS A 70 6.504 1.301 9.621 1.00 0.00 C ATOM 544 CG LYS A 70 7.722 2.244 9.435 1.00 0.00 C ATOM 545 CD LYS A 70 8.653 2.347 10.646 1.00 0.00 C ATOM 546 CE LYS A 70 9.994 2.948 10.201 1.00 0.00 C ATOM 547 NZ LYS A 70 11.063 1.951 10.388 1.00 0.00 N ATOM 0 H LYS A 70 4.107 0.494 9.398 1.00 0.00 H new ATOM 0 HA LYS A 70 6.052 1.699 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.770 1.789 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.828 0.398 10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.302 1.899 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.356 3.241 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.199 2.970 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.810 1.361 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.941 3.249 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.213 3.845 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.972 2.356 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.118 1.685 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.854 1.107 9.817 1.00 0.00 H new ATOM 548 N ARG A 71 6.576 -1.519 8.617 1.00 0.00 N ATOM 549 CA ARG A 71 6.875 -2.864 8.092 1.00 0.00 C ATOM 550 C ARG A 71 5.663 -3.328 7.308 1.00 0.00 C ATOM 551 O ARG A 71 5.666 -3.403 6.074 1.00 0.00 O ATOM 552 CB ARG A 71 7.223 -3.805 9.269 1.00 0.00 C ATOM 553 CG ARG A 71 7.375 -5.304 8.893 1.00 0.00 C ATOM 554 CD ARG A 71 8.821 -5.799 9.019 1.00 0.00 C ATOM 555 NE ARG A 71 8.966 -6.495 10.323 1.00 0.00 N ATOM 556 CZ ARG A 71 10.086 -6.588 11.027 1.00 0.00 C ATOM 557 NH1 ARG A 71 11.224 -6.074 10.665 1.00 0.00 N ATOM 558 NH2 ARG A 71 10.036 -7.230 12.140 1.00 0.00 N ATOM 0 H ARG A 71 6.526 -1.458 9.634 1.00 0.00 H new ATOM 0 HA ARG A 71 7.738 -2.861 7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.154 -3.464 9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.446 -3.714 10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.732 -5.904 9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.031 -5.455 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.063 -6.475 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.515 -4.961 8.957 1.00 0.00 H new ATOM 0 HE ARG A 71 8.133 -6.939 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.295 -5.559 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.046 -6.186 11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.157 -7.644 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.875 -7.325 12.712 1.00 0.00 H new ATOM 559 N CYS A 72 4.479 -3.682 8.121 1.00 0.00 N ATOM 560 CA CYS A 72 3.156 -3.920 7.568 1.00 0.00 C ATOM 561 C CYS A 72 2.171 -4.286 8.667 1.00 0.00 C ATOM 562 O CYS A 72 1.824 -5.455 8.878 1.00 0.00 O ATOM 563 CB CYS A 72 3.204 -4.946 6.421 1.00 0.00 C ATOM 564 SG CYS A 72 2.991 -4.132 4.822 1.00 0.00 S ATOM 0 H CYS A 72 4.516 -3.783 9.135 1.00 0.00 H new ATOM 0 HA CYS A 72 2.791 -2.995 7.122 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.157 -5.476 6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.422 -5.692 6.561 1.00 0.00 H new ATOM 0 HG CYS A 72 4.038 -3.407 4.561 1.00 0.00 H new