USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=14 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 33 THR OG1 : rot 180:sc= -0.189 USER MOD Set 1.2: A 51 ASN : amide:sc= -6.86! C(o=-7.1!,f=-8.8!) USER MOD Set 2.1: A 38 CYS SG : rot 110:sc= -0.308 USER MOD Set 2.2: A 42 CYS SG : rot -51:sc= -0.89 USER MOD Set 2.3: A 69 CYS SG : rot 140:sc= -0.175 USER MOD Set 2.4: A 72 CYS SG : rot -55:sc= -2.31! USER MOD Single : A 8 THR OG1 : rot -23:sc= 0.477 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=0.026) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= 0.00156 K(o=0.0016,f=-4.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -1.8 USER MOD Single : A 57 ASN : amide:sc= -1.95! C(o=-1.9!,f=-6.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc=-0.00327 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 53 N THR A 8 7.635 12.310 -12.121 1.00 0.00 N ATOM 54 CA THR A 8 6.248 12.058 -12.499 1.00 0.00 C ATOM 55 C THR A 8 5.606 11.053 -11.571 1.00 0.00 C ATOM 56 O THR A 8 6.262 10.157 -11.023 1.00 0.00 O ATOM 57 CB THR A 8 6.160 11.572 -13.986 1.00 0.00 C ATOM 58 OG1 THR A 8 7.297 10.788 -14.322 1.00 0.00 O ATOM 59 CG2 THR A 8 6.119 12.677 -15.064 1.00 0.00 C ATOM 0 HA THR A 8 5.700 12.996 -12.410 1.00 0.00 H new ATOM 0 HB THR A 8 5.214 11.031 -14.003 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.038 11.012 -13.721 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.058 12.220 -16.052 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.246 13.310 -14.903 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.023 13.282 -14.999 1.00 0.00 H new ATOM 60 N ASP A 9 4.156 11.224 -11.324 1.00 0.00 N ATOM 61 CA ASP A 9 3.379 10.233 -10.587 1.00 0.00 C ATOM 62 C ASP A 9 3.518 8.865 -11.214 1.00 0.00 C ATOM 63 O ASP A 9 3.282 7.828 -10.579 1.00 0.00 O ATOM 64 CB ASP A 9 1.895 10.672 -10.485 1.00 0.00 C ATOM 65 CG ASP A 9 1.569 11.771 -9.463 1.00 0.00 C ATOM 66 OD1 ASP A 9 1.826 12.951 -9.650 1.00 0.00 O ATOM 67 OD2 ASP A 9 0.988 11.282 -8.327 1.00 0.00 O ATOM 0 H ASP A 9 3.616 12.027 -11.645 1.00 0.00 H new ATOM 0 HA ASP A 9 3.773 10.165 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.574 11.016 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.296 9.794 -10.243 1.00 0.00 H new ATOM 68 N ASP A 10 3.977 8.833 -12.621 1.00 0.00 N ATOM 69 CA ASP A 10 4.196 7.575 -13.330 1.00 0.00 C ATOM 70 C ASP A 10 5.334 6.799 -12.710 1.00 0.00 C ATOM 71 O ASP A 10 5.213 5.611 -12.381 1.00 0.00 O ATOM 72 CB ASP A 10 4.424 7.837 -14.841 1.00 0.00 C ATOM 73 CG ASP A 10 5.015 6.681 -15.662 1.00 0.00 C ATOM 74 OD1 ASP A 10 4.389 5.667 -15.932 1.00 0.00 O ATOM 75 OD2 ASP A 10 6.297 6.923 -16.072 1.00 0.00 O ATOM 0 H ASP A 10 4.167 9.667 -13.176 1.00 0.00 H new ATOM 0 HA ASP A 10 3.301 6.959 -13.236 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.469 8.116 -15.286 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.085 8.698 -14.941 1.00 0.00 H new ATOM 76 N GLN A 11 6.592 7.546 -12.478 1.00 0.00 N ATOM 77 CA GLN A 11 7.791 6.902 -11.951 1.00 0.00 C ATOM 78 C GLN A 11 7.588 6.475 -10.515 1.00 0.00 C ATOM 79 O GLN A 11 7.879 5.341 -10.111 1.00 0.00 O ATOM 80 CB GLN A 11 8.972 7.891 -12.066 1.00 0.00 C ATOM 81 CG GLN A 11 9.089 8.960 -10.928 1.00 0.00 C ATOM 82 CD GLN A 11 10.431 9.150 -10.211 1.00 0.00 C ATOM 83 OE1 GLN A 11 10.571 8.837 -9.040 1.00 0.00 O ATOM 84 NE2 GLN A 11 11.444 9.678 -10.850 1.00 0.00 N ATOM 0 H GLN A 11 6.702 8.542 -12.668 1.00 0.00 H new ATOM 0 HA GLN A 11 8.006 6.003 -12.529 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.898 7.317 -12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.891 8.413 -13.020 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.806 9.923 -11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.345 8.714 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.346 9.946 -11.829 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.332 9.822 -10.369 1.00 0.00 H new ATOM 85 N ARG A 12 6.981 7.488 -9.623 1.00 0.00 N ATOM 86 CA ARG A 12 6.585 7.213 -8.248 1.00 0.00 C ATOM 87 C ARG A 12 5.930 5.859 -8.102 1.00 0.00 C ATOM 88 O ARG A 12 6.429 4.892 -7.497 1.00 0.00 O ATOM 89 CB ARG A 12 5.577 8.330 -7.813 1.00 0.00 C ATOM 90 CG ARG A 12 6.203 9.505 -7.024 1.00 0.00 C ATOM 91 CD ARG A 12 6.617 10.680 -7.919 1.00 0.00 C ATOM 92 NE ARG A 12 6.756 11.887 -7.065 1.00 0.00 N ATOM 93 CZ ARG A 12 6.475 13.130 -7.433 1.00 0.00 C ATOM 94 NH1 ARG A 12 6.039 13.466 -8.610 1.00 0.00 N ATOM 95 NH2 ARG A 12 6.647 14.060 -6.561 1.00 0.00 N ATOM 0 H ARG A 12 6.800 8.448 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 12 7.475 7.206 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.092 8.728 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.797 7.876 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.488 9.857 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.077 9.145 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.558 10.461 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.871 10.848 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 12 7.097 11.748 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.892 12.751 -9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.844 14.445 -8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.987 13.828 -5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.443 15.030 -6.803 1.00 0.00 H new ATOM 96 N TRP A 13 4.576 5.755 -8.712 1.00 0.00 N ATOM 97 CA TRP A 13 3.732 4.594 -8.485 1.00 0.00 C ATOM 98 C TRP A 13 4.252 3.388 -9.227 1.00 0.00 C ATOM 99 O TRP A 13 4.026 2.233 -8.833 1.00 0.00 O ATOM 100 CB TRP A 13 2.280 4.918 -8.978 1.00 0.00 C ATOM 101 CG TRP A 13 1.490 3.605 -9.132 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.262 2.917 -10.340 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.977 2.815 -8.128 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.601 1.693 -10.112 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.442 1.650 -8.733 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.953 2.981 -6.718 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.130 0.644 -7.923 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.366 1.981 -5.944 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.170 0.829 -6.538 1.00 0.00 C ATOM 0 H TRP A 13 4.162 6.469 -9.312 1.00 0.00 H new ATOM 0 HA TRP A 13 3.733 4.366 -7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.780 5.575 -8.266 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.316 5.448 -9.930 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.555 3.280 -11.314 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.308 1.000 -10.800 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.379 3.860 -6.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.531 -0.255 -8.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.323 2.095 -4.871 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.622 0.072 -5.914 1.00 0.00 H new ATOM 110 N GLN A 14 5.011 3.645 -10.475 1.00 0.00 N ATOM 111 CA GLN A 14 5.718 2.569 -11.167 1.00 0.00 C ATOM 112 C GLN A 14 6.678 1.892 -10.207 1.00 0.00 C ATOM 113 O GLN A 14 6.946 0.686 -10.286 1.00 0.00 O ATOM 114 CB GLN A 14 6.475 3.138 -12.383 1.00 0.00 C ATOM 115 CG GLN A 14 7.597 2.227 -12.988 1.00 0.00 C ATOM 116 CD GLN A 14 7.207 1.063 -13.908 1.00 0.00 C ATOM 117 OE1 GLN A 14 6.781 0.014 -13.452 1.00 0.00 O ATOM 118 NE2 GLN A 14 7.339 1.182 -15.204 1.00 0.00 N ATOM 0 H GLN A 14 5.089 4.559 -10.920 1.00 0.00 H new ATOM 0 HA GLN A 14 5.000 1.830 -11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.750 3.355 -13.167 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.924 4.088 -12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.276 2.872 -13.546 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.164 1.810 -12.156 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.693 2.051 -15.603 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.087 0.405 -15.816 1.00 0.00 H new ATOM 119 N SER A 15 7.301 2.784 -9.201 1.00 0.00 N ATOM 120 CA SER A 15 8.101 2.261 -8.099 1.00 0.00 C ATOM 121 C SER A 15 7.285 1.310 -7.252 1.00 0.00 C ATOM 122 O SER A 15 7.794 0.270 -6.796 1.00 0.00 O ATOM 123 CB SER A 15 8.722 3.398 -7.252 1.00 0.00 C ATOM 124 OG SER A 15 9.938 3.010 -6.602 1.00 0.00 O ATOM 0 H SER A 15 7.214 3.800 -9.212 1.00 0.00 H new ATOM 0 HA SER A 15 8.932 1.699 -8.525 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.917 4.257 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.001 3.719 -6.500 1.00 0.00 H new ATOM 0 HG SER A 15 10.287 3.765 -6.083 1.00 0.00 H new ATOM 125 N VAL A 16 5.871 1.693 -6.961 1.00 0.00 N ATOM 126 CA VAL A 16 4.984 0.738 -6.300 1.00 0.00 C ATOM 127 C VAL A 16 4.938 -0.585 -7.023 1.00 0.00 C ATOM 128 O VAL A 16 5.202 -1.670 -6.436 1.00 0.00 O ATOM 129 CB VAL A 16 3.551 1.299 -5.972 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.758 0.504 -4.877 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.544 2.762 -5.472 1.00 0.00 C ATOM 0 H VAL A 16 5.450 2.594 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 16 5.435 0.559 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 16 3.071 1.200 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.784 0.969 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.620 -0.527 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.318 0.516 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.519 3.072 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.134 2.837 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.974 3.410 -6.236 1.00 0.00 H new ATOM 132 N LEU A 17 4.531 -0.593 -8.442 1.00 0.00 N ATOM 133 CA LEU A 17 4.439 -1.854 -9.219 1.00 0.00 C ATOM 134 C LEU A 17 5.695 -2.657 -9.005 1.00 0.00 C ATOM 135 O LEU A 17 5.704 -3.877 -8.796 1.00 0.00 O ATOM 136 CB LEU A 17 4.195 -1.564 -10.724 1.00 0.00 C ATOM 137 CG LEU A 17 2.856 -0.874 -11.115 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.625 -0.995 -12.627 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.651 -1.451 -10.356 1.00 0.00 C ATOM 0 H LEU A 17 4.292 0.246 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 17 3.586 -2.435 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.013 -0.939 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.256 -2.509 -11.263 1.00 0.00 H new ATOM 0 HG LEU A 17 2.943 0.176 -10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.686 -0.509 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.445 -0.514 -13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.580 -2.048 -12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.743 -0.934 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.557 -2.514 -10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.797 -1.315 -9.284 1.00 0.00 H new ATOM 205 N PHE A 27 9.943 7.102 0.140 1.00 0.00 N ATOM 206 CA PHE A 27 8.613 7.621 -0.184 1.00 0.00 C ATOM 207 C PHE A 27 7.501 6.709 0.267 1.00 0.00 C ATOM 208 O PHE A 27 7.672 5.509 0.518 1.00 0.00 O ATOM 209 CB PHE A 27 8.529 7.933 -1.706 1.00 0.00 C ATOM 210 CG PHE A 27 8.072 6.874 -2.719 1.00 0.00 C ATOM 211 CD1 PHE A 27 7.168 5.865 -2.389 1.00 0.00 C ATOM 212 CD2 PHE A 27 8.578 6.937 -4.031 1.00 0.00 C ATOM 213 CE1 PHE A 27 6.778 4.929 -3.342 1.00 0.00 C ATOM 214 CE2 PHE A 27 8.190 6.000 -4.981 1.00 0.00 C ATOM 215 CZ PHE A 27 7.290 4.995 -4.637 1.00 0.00 C ATOM 0 HA PHE A 27 8.471 8.546 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.861 8.787 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.521 8.261 -2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.768 5.810 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.272 7.719 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.078 4.150 -3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.586 6.051 -5.984 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.988 4.266 -5.374 1.00 0.00 H new ATOM 216 N VAL A 28 6.159 7.330 0.377 1.00 0.00 N ATOM 217 CA VAL A 28 4.984 6.668 0.951 1.00 0.00 C ATOM 218 C VAL A 28 3.816 6.772 -0.006 1.00 0.00 C ATOM 219 O VAL A 28 3.796 7.655 -0.893 1.00 0.00 O ATOM 220 CB VAL A 28 4.644 7.345 2.337 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.865 7.736 3.222 1.00 0.00 C ATOM 222 CG2 VAL A 28 3.800 8.638 2.209 1.00 0.00 C ATOM 0 H VAL A 28 5.965 8.278 0.053 1.00 0.00 H new ATOM 0 HA VAL A 28 5.191 5.610 1.114 1.00 0.00 H new ATOM 0 HB VAL A 28 4.087 6.540 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.513 8.192 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.446 6.844 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.492 8.447 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.606 9.046 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.346 9.371 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.853 8.408 1.720 1.00 0.00 H new ATOM 223 N PHE A 29 2.686 5.831 0.142 1.00 0.00 N ATOM 224 CA PHE A 29 1.459 5.931 -0.656 1.00 0.00 C ATOM 225 C PHE A 29 0.251 5.761 0.235 1.00 0.00 C ATOM 226 O PHE A 29 0.345 5.236 1.365 1.00 0.00 O ATOM 227 CB PHE A 29 1.441 4.869 -1.793 1.00 0.00 C ATOM 228 CG PHE A 29 1.281 3.383 -1.440 1.00 0.00 C ATOM 229 CD1 PHE A 29 0.730 2.997 -0.215 1.00 0.00 C ATOM 230 CD2 PHE A 29 1.639 2.393 -2.369 1.00 0.00 C ATOM 231 CE1 PHE A 29 0.523 1.655 0.078 1.00 0.00 C ATOM 232 CE2 PHE A 29 1.436 1.048 -2.073 1.00 0.00 C ATOM 233 CZ PHE A 29 0.879 0.678 -0.851 1.00 0.00 C ATOM 0 H PHE A 29 2.685 5.055 0.804 1.00 0.00 H new ATOM 0 HA PHE A 29 1.430 6.918 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.630 5.132 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.371 4.973 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.462 3.750 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.073 2.676 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.087 1.369 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.711 0.290 -2.792 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.723 -0.366 -0.623 1.00 0.00 H new ATOM 234 N ALA A 30 -1.045 6.273 -0.261 1.00 0.00 N ATOM 235 CA ALA A 30 -2.253 6.224 0.557 1.00 0.00 C ATOM 236 C ALA A 30 -3.452 5.782 -0.248 1.00 0.00 C ATOM 237 O ALA A 30 -4.034 6.553 -1.023 1.00 0.00 O ATOM 238 CB ALA A 30 -2.450 7.603 1.204 1.00 0.00 C ATOM 0 H ALA A 30 -1.178 6.684 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.142 5.477 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.348 7.590 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.586 7.840 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.555 8.359 0.425 1.00 0.00 H new ATOM 239 N VAL A 31 -3.913 4.396 -0.018 1.00 0.00 N ATOM 240 CA VAL A 31 -5.111 3.865 -0.668 1.00 0.00 C ATOM 241 C VAL A 31 -6.298 3.981 0.261 1.00 0.00 C ATOM 242 O VAL A 31 -6.434 3.215 1.228 1.00 0.00 O ATOM 243 CB VAL A 31 -4.857 2.374 -1.120 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.832 1.294 -0.004 1.00 0.00 C ATOM 245 CG2 VAL A 31 -5.871 1.853 -2.167 1.00 0.00 C ATOM 0 H VAL A 31 -3.438 3.733 0.595 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.336 4.448 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.854 2.484 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.649 0.316 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.038 1.524 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.791 1.284 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.629 0.822 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.878 1.896 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.821 2.473 -3.062 1.00 0.00 H new ATOM 246 N ARG A 32 -7.238 5.088 -0.011 1.00 0.00 N ATOM 247 CA ARG A 32 -8.321 5.432 0.907 1.00 0.00 C ATOM 248 C ARG A 32 -9.587 4.657 0.635 1.00 0.00 C ATOM 249 O ARG A 32 -10.693 5.239 0.540 1.00 0.00 O ATOM 250 CB ARG A 32 -8.573 6.966 0.812 1.00 0.00 C ATOM 251 CG ARG A 32 -9.076 7.467 -0.567 1.00 0.00 C ATOM 252 CD ARG A 32 -8.480 8.828 -0.951 1.00 0.00 C ATOM 253 NE ARG A 32 -9.502 9.874 -0.694 1.00 0.00 N ATOM 254 CZ ARG A 32 -9.251 11.119 -0.311 1.00 0.00 C ATOM 255 NH1 ARG A 32 -8.059 11.596 -0.102 1.00 0.00 N ATOM 256 NH2 ARG A 32 -10.257 11.900 -0.137 1.00 0.00 N ATOM 0 H ARG A 32 -7.194 5.676 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.020 5.158 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.303 7.246 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.646 7.486 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.821 6.733 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.163 7.542 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.580 9.026 -0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.188 8.832 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.480 9.613 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.241 11.000 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.942 12.566 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.204 11.554 -0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.108 12.865 0.157 1.00 0.00 H new ATOM 257 N THR A 33 -9.502 3.186 0.514 1.00 0.00 N ATOM 258 CA THR A 33 -10.687 2.351 0.280 1.00 0.00 C ATOM 259 C THR A 33 -11.229 1.841 1.595 1.00 0.00 C ATOM 260 O THR A 33 -12.436 1.867 1.869 1.00 0.00 O ATOM 261 CB THR A 33 -10.340 1.169 -0.682 1.00 0.00 C ATOM 262 OG1 THR A 33 -9.269 1.526 -1.547 1.00 0.00 O ATOM 263 CG2 THR A 33 -11.464 0.702 -1.632 1.00 0.00 C ATOM 0 H THR A 33 -8.630 2.662 0.584 1.00 0.00 H new ATOM 0 HA THR A 33 -11.459 2.955 -0.197 1.00 0.00 H new ATOM 0 HB THR A 33 -10.114 0.362 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.064 0.774 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.102 -0.121 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.320 0.367 -1.046 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.765 1.530 -2.274 1.00 0.00 H new ATOM 264 N THR A 34 -10.219 1.334 2.552 1.00 0.00 N ATOM 265 CA THR A 34 -10.546 0.975 3.928 1.00 0.00 C ATOM 266 C THR A 34 -9.890 1.948 4.888 1.00 0.00 C ATOM 267 O THR A 34 -10.477 2.402 5.878 1.00 0.00 O ATOM 268 CB THR A 34 -10.118 -0.495 4.245 1.00 0.00 C ATOM 269 OG1 THR A 34 -10.902 -1.417 3.498 1.00 0.00 O ATOM 270 CG2 THR A 34 -10.277 -0.955 5.712 1.00 0.00 C ATOM 0 H THR A 34 -9.236 1.204 2.314 1.00 0.00 H new ATOM 0 HA THR A 34 -11.627 1.036 4.052 1.00 0.00 H new ATOM 0 HB THR A 34 -9.058 -0.488 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.619 -2.332 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.948 -1.990 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.671 -0.321 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.324 -0.879 6.006 1.00 0.00 H new ATOM 271 N GLY A 35 -8.504 2.349 4.534 1.00 0.00 N ATOM 272 CA GLY A 35 -7.796 3.409 5.241 1.00 0.00 C ATOM 273 C GLY A 35 -6.423 2.999 5.715 1.00 0.00 C ATOM 274 O GLY A 35 -6.203 2.772 6.922 1.00 0.00 O ATOM 0 H GLY A 35 -7.965 1.916 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.702 4.274 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.390 3.723 6.099 1.00 0.00 H new ATOM 275 N ILE A 36 -5.358 2.837 4.701 1.00 0.00 N ATOM 276 CA ILE A 36 -3.963 2.624 5.074 1.00 0.00 C ATOM 277 C ILE A 36 -3.030 3.437 4.211 1.00 0.00 C ATOM 278 O ILE A 36 -3.204 3.547 2.981 1.00 0.00 O ATOM 279 CB ILE A 36 -3.582 1.082 5.067 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.136 0.486 3.696 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.725 0.184 5.637 1.00 0.00 C ATOM 282 CD1 ILE A 36 -1.971 -0.527 3.747 1.00 0.00 C ATOM 0 H ILE A 36 -5.524 2.863 3.695 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.843 2.976 6.099 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.707 1.065 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.996 -0.002 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.848 1.308 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.415 -0.861 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.936 0.474 6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.623 0.311 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.747 -0.875 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.089 -0.046 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.254 -1.376 4.369 1.00 0.00 H new ATOM 283 N PHE A 37 -1.923 4.135 4.898 1.00 0.00 N ATOM 284 CA PHE A 37 -0.835 4.801 4.163 1.00 0.00 C ATOM 285 C PHE A 37 0.458 4.061 4.413 1.00 0.00 C ATOM 286 O PHE A 37 0.958 4.056 5.570 1.00 0.00 O ATOM 287 CB PHE A 37 -0.695 6.284 4.613 1.00 0.00 C ATOM 288 CG PHE A 37 0.100 6.631 5.883 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.483 6.835 5.812 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.548 6.738 7.116 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.206 7.149 6.959 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.174 7.052 8.263 1.00 0.00 C ATOM 293 CZ PHE A 37 1.551 7.261 8.184 1.00 0.00 C ATOM 0 H PHE A 37 -1.841 4.201 5.913 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.066 4.789 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.241 6.832 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.702 6.680 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.991 6.748 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.614 6.576 7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.273 7.306 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.331 7.134 9.214 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.110 7.510 9.074 1.00 0.00 H new ATOM 294 N CYS A 38 1.108 3.311 3.318 1.00 0.00 N ATOM 295 CA CYS A 38 2.243 2.424 3.556 1.00 0.00 C ATOM 296 C CYS A 38 3.417 2.726 2.662 1.00 0.00 C ATOM 297 O CYS A 38 3.282 3.366 1.605 1.00 0.00 O ATOM 298 CB CYS A 38 1.760 0.964 3.334 1.00 0.00 C ATOM 299 SG CYS A 38 2.983 -0.210 3.982 1.00 0.00 S ATOM 0 H CYS A 38 0.813 3.362 2.343 1.00 0.00 H new ATOM 0 HA CYS A 38 2.594 2.573 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.801 0.812 3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.601 0.784 2.271 1.00 0.00 H new ATOM 0 HG CYS A 38 2.510 -0.785 5.048 1.00 0.00 H new ATOM 300 N ARG A 39 4.734 2.241 3.116 1.00 0.00 N ATOM 301 CA ARG A 39 5.890 2.236 2.198 1.00 0.00 C ATOM 302 C ARG A 39 5.699 1.063 1.257 1.00 0.00 C ATOM 303 O ARG A 39 5.611 -0.094 1.705 1.00 0.00 O ATOM 304 CB ARG A 39 7.197 2.161 3.019 1.00 0.00 C ATOM 305 CG ARG A 39 8.237 3.272 2.713 1.00 0.00 C ATOM 306 CD ARG A 39 9.679 2.838 3.003 1.00 0.00 C ATOM 307 NE ARG A 39 9.664 1.818 4.082 1.00 0.00 N ATOM 308 CZ ARG A 39 10.593 0.891 4.277 1.00 0.00 C ATOM 309 NH1 ARG A 39 11.651 0.745 3.536 1.00 0.00 N ATOM 310 NH2 ARG A 39 10.429 0.087 5.267 1.00 0.00 N ATOM 0 H ARG A 39 4.929 1.891 4.054 1.00 0.00 H new ATOM 0 HA ARG A 39 5.960 3.148 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.944 2.205 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.663 1.192 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.154 3.561 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.003 4.155 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.138 2.429 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.278 3.697 3.304 1.00 0.00 H new ATOM 0 HE ARG A 39 8.874 1.831 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.809 1.368 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.324 0.008 3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.609 0.177 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.119 -0.641 5.453 1.00 0.00 H new ATOM 311 N PRO A 40 5.669 1.341 -0.185 1.00 0.00 N ATOM 312 CA PRO A 40 5.420 0.363 -1.345 1.00 0.00 C ATOM 313 C PRO A 40 5.470 -1.121 -1.104 1.00 0.00 C ATOM 314 O PRO A 40 6.266 -1.851 -1.733 1.00 0.00 O ATOM 315 CB PRO A 40 6.467 0.781 -2.385 1.00 0.00 C ATOM 316 CG PRO A 40 6.407 2.310 -2.245 1.00 0.00 C ATOM 317 CD PRO A 40 5.879 2.657 -0.850 1.00 0.00 C ATOM 0 HA PRO A 40 4.371 0.456 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.456 0.383 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.210 0.446 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.397 2.742 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.757 2.734 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.592 3.270 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.950 3.224 -0.908 1.00 0.00 H new ATOM 318 N SER A 41 4.526 -1.699 -0.121 1.00 0.00 N ATOM 319 CA SER A 41 4.376 -3.137 0.056 1.00 0.00 C ATOM 320 C SER A 41 3.386 -3.502 1.136 1.00 0.00 C ATOM 321 O SER A 41 3.612 -3.172 2.326 1.00 0.00 O ATOM 322 CB SER A 41 5.762 -3.793 0.338 1.00 0.00 C ATOM 323 OG SER A 41 6.036 -4.902 -0.523 1.00 0.00 O ATOM 0 H SER A 41 3.929 -1.139 0.487 1.00 0.00 H new ATOM 0 HA SER A 41 3.971 -3.528 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.545 -3.044 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.797 -4.127 1.375 1.00 0.00 H new ATOM 0 HG SER A 41 6.916 -5.275 -0.306 1.00 0.00 H new ATOM 324 N CYS A 42 2.177 -4.279 0.792 1.00 0.00 N ATOM 325 CA CYS A 42 1.305 -4.868 1.798 1.00 0.00 C ATOM 326 C CYS A 42 0.802 -6.225 1.321 1.00 0.00 C ATOM 327 O CYS A 42 -0.150 -6.332 0.541 1.00 0.00 O ATOM 328 CB CYS A 42 0.147 -3.964 2.251 1.00 0.00 C ATOM 329 SG CYS A 42 0.635 -2.261 2.579 1.00 0.00 S ATOM 0 H CYS A 42 1.876 -4.452 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 42 1.915 -4.997 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.626 -3.968 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.298 -4.384 3.153 1.00 0.00 H new ATOM 0 HG CYS A 42 1.654 -2.249 3.386 1.00 0.00 H new ATOM 330 N ARG A 43 1.559 -7.395 1.809 1.00 0.00 N ATOM 331 CA ARG A 43 1.161 -8.789 1.654 1.00 0.00 C ATOM 332 C ARG A 43 -0.168 -8.950 0.970 1.00 0.00 C ATOM 333 O ARG A 43 -0.263 -9.353 -0.200 1.00 0.00 O ATOM 334 CB ARG A 43 1.130 -9.430 3.082 1.00 0.00 C ATOM 335 CG ARG A 43 1.090 -8.402 4.241 1.00 0.00 C ATOM 336 CD ARG A 43 1.137 -9.057 5.627 1.00 0.00 C ATOM 337 NE ARG A 43 2.499 -8.864 6.188 1.00 0.00 N ATOM 338 CZ ARG A 43 3.044 -9.588 7.156 1.00 0.00 C ATOM 339 NH1 ARG A 43 2.448 -10.575 7.758 1.00 0.00 N ATOM 340 NH2 ARG A 43 4.240 -9.288 7.520 1.00 0.00 N ATOM 0 H ARG A 43 2.444 -7.295 2.305 1.00 0.00 H new ATOM 0 HA ARG A 43 1.882 -9.292 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.258 -10.079 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.009 -10.062 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.932 -7.717 4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.182 -7.805 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.389 -8.611 6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.904 -10.119 5.553 1.00 0.00 H new ATOM 0 HE ARG A 43 3.063 -8.110 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.498 -10.836 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.930 -11.088 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.733 -8.518 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.696 -9.820 8.261 1.00 0.00 H new ATOM 341 N ALA A 44 -1.369 -8.616 1.773 1.00 0.00 N ATOM 342 CA ALA A 44 -2.703 -8.576 1.179 1.00 0.00 C ATOM 343 C ALA A 44 -2.697 -7.706 -0.060 1.00 0.00 C ATOM 344 O ALA A 44 -2.749 -6.472 0.023 1.00 0.00 O ATOM 345 CB ALA A 44 -3.683 -8.080 2.254 1.00 0.00 C ATOM 0 H ALA A 44 -1.345 -8.397 2.769 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.021 -9.566 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.690 -8.040 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.668 -8.763 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.387 -7.084 2.585 1.00 0.00 H new ATOM 346 N ARG A 45 -2.675 -8.426 -1.354 1.00 0.00 N ATOM 347 CA ARG A 45 -2.473 -7.738 -2.627 1.00 0.00 C ATOM 348 C ARG A 45 -3.189 -6.404 -2.637 1.00 0.00 C ATOM 349 O ARG A 45 -4.403 -6.296 -2.850 1.00 0.00 O ATOM 350 CB ARG A 45 -2.949 -8.654 -3.785 1.00 0.00 C ATOM 351 CG ARG A 45 -4.340 -9.312 -3.583 1.00 0.00 C ATOM 352 CD ARG A 45 -4.839 -10.029 -4.845 1.00 0.00 C ATOM 353 NE ARG A 45 -5.199 -11.423 -4.482 1.00 0.00 N ATOM 354 CZ ARG A 45 -5.267 -12.444 -5.326 1.00 0.00 C ATOM 355 NH1 ARG A 45 -5.018 -12.362 -6.599 1.00 0.00 N ATOM 356 NH2 ARG A 45 -5.603 -13.589 -4.845 1.00 0.00 N ATOM 0 H ARG A 45 -2.798 -9.435 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.412 -7.530 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.973 -8.067 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.210 -9.442 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.285 -10.026 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.061 -8.548 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.703 -9.510 -5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.066 -10.025 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.412 -11.611 -3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.750 -11.468 -7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.091 -13.192 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.805 -13.685 -3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.668 -14.401 -5.459 1.00 0.00 H new ATOM 357 N HIS A 46 -2.337 -5.229 -2.330 1.00 0.00 N ATOM 358 CA HIS A 46 -2.874 -3.893 -2.109 1.00 0.00 C ATOM 359 C HIS A 46 -3.913 -3.508 -3.135 1.00 0.00 C ATOM 360 O HIS A 46 -3.982 -4.044 -4.250 1.00 0.00 O ATOM 361 CB HIS A 46 -1.680 -2.925 -2.157 1.00 0.00 C ATOM 362 CG HIS A 46 -0.920 -2.994 -3.450 1.00 0.00 C ATOM 363 ND1 HIS A 46 -1.462 -3.248 -4.707 1.00 0.00 N ATOM 364 CD2 HIS A 46 0.454 -2.801 -3.520 1.00 0.00 C ATOM 365 CE1 HIS A 46 -0.346 -3.185 -5.457 1.00 0.00 C ATOM 366 NE2 HIS A 46 0.834 -2.926 -4.831 1.00 0.00 N ATOM 0 H HIS A 46 -1.321 -5.281 -2.254 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.384 -3.856 -1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.039 -1.907 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.004 -3.150 -1.332 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -2.428 -3.430 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.108 -2.589 -2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.386 -3.336 -6.526 1.00 0.00 H new ATOM 367 N ALA A 47 -4.880 -2.467 -2.709 1.00 0.00 N ATOM 368 CA ALA A 47 -5.849 -1.885 -3.632 1.00 0.00 C ATOM 369 C ALA A 47 -5.157 -1.316 -4.850 1.00 0.00 C ATOM 370 O ALA A 47 -3.939 -1.449 -5.034 1.00 0.00 O ATOM 371 CB ALA A 47 -6.661 -0.831 -2.860 1.00 0.00 C ATOM 0 H ALA A 47 -4.931 -2.096 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.531 -2.646 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.395 -0.378 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.174 -1.307 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.990 -0.060 -2.482 1.00 0.00 H new ATOM 372 N LEU A 48 -6.013 -0.559 -5.788 1.00 0.00 N ATOM 373 CA LEU A 48 -5.500 -0.006 -7.039 1.00 0.00 C ATOM 374 C LEU A 48 -4.846 1.335 -6.806 1.00 0.00 C ATOM 375 O LEU A 48 -4.866 1.890 -5.697 1.00 0.00 O ATOM 376 CB LEU A 48 -6.641 0.085 -8.093 1.00 0.00 C ATOM 377 CG LEU A 48 -7.982 -0.634 -7.777 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.852 0.247 -6.869 1.00 0.00 C ATOM 379 CD2 LEU A 48 -8.770 -1.010 -9.042 1.00 0.00 C ATOM 0 H LEU A 48 -7.003 -0.375 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.733 -0.674 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.858 1.140 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.261 -0.315 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.728 -1.563 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.789 -0.266 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.323 0.442 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.062 1.191 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.697 -1.509 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.002 -0.108 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.171 -1.680 -9.658 1.00 0.00 H new ATOM 380 N ARG A 49 -4.210 1.974 -7.980 1.00 0.00 N ATOM 381 CA ARG A 49 -3.691 3.341 -7.948 1.00 0.00 C ATOM 382 C ARG A 49 -4.769 4.347 -8.270 1.00 0.00 C ATOM 383 O ARG A 49 -4.515 5.535 -8.514 1.00 0.00 O ATOM 384 CB ARG A 49 -2.504 3.442 -8.947 1.00 0.00 C ATOM 385 CG ARG A 49 -2.867 3.852 -10.398 1.00 0.00 C ATOM 386 CD ARG A 49 -3.553 2.729 -11.186 1.00 0.00 C ATOM 387 NE ARG A 49 -2.814 2.528 -12.459 1.00 0.00 N ATOM 388 CZ ARG A 49 -3.249 1.829 -13.498 1.00 0.00 C ATOM 389 NH1 ARG A 49 -4.398 1.224 -13.547 1.00 0.00 N ATOM 390 NH2 ARG A 49 -2.476 1.748 -14.523 1.00 0.00 N ATOM 0 H ARG A 49 -4.093 1.508 -8.880 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.341 3.574 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.787 4.163 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.999 2.476 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.523 4.722 -10.370 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.960 4.154 -10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.562 1.808 -10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.592 2.988 -11.388 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.896 2.964 -12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.033 1.269 -12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.665 0.704 -14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.568 2.212 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.771 1.220 -15.344 1.00 0.00 H new ATOM 391 N GLU A 50 -6.166 3.850 -8.234 1.00 0.00 N ATOM 392 CA GLU A 50 -7.305 4.622 -8.710 1.00 0.00 C ATOM 393 C GLU A 50 -7.902 5.505 -7.641 1.00 0.00 C ATOM 394 O GLU A 50 -8.645 6.463 -7.954 1.00 0.00 O ATOM 395 CB GLU A 50 -8.376 3.622 -9.250 1.00 0.00 C ATOM 396 CG GLU A 50 -7.851 2.405 -10.080 1.00 0.00 C ATOM 397 CD GLU A 50 -8.724 1.861 -11.213 1.00 0.00 C ATOM 398 OE1 GLU A 50 -9.946 1.423 -10.802 1.00 0.00 O ATOM 399 OE2 GLU A 50 -8.355 1.826 -12.380 1.00 0.00 O ATOM 0 H GLU A 50 -6.420 2.931 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.963 5.292 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.939 3.236 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.078 4.179 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.889 2.687 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.663 1.587 -9.385 1.00 0.00 H new ATOM 400 N ASN A 51 -7.561 5.235 -6.236 1.00 0.00 N ATOM 401 CA ASN A 51 -8.087 6.078 -5.128 1.00 0.00 C ATOM 402 C ASN A 51 -6.933 6.349 -4.189 1.00 0.00 C ATOM 403 O ASN A 51 -7.034 6.598 -2.981 1.00 0.00 O ATOM 404 CB ASN A 51 -9.202 5.273 -4.417 1.00 0.00 C ATOM 405 CG ASN A 51 -8.877 4.575 -3.091 1.00 0.00 C ATOM 406 OD1 ASN A 51 -9.627 4.627 -2.128 1.00 0.00 O ATOM 407 ND2 ASN A 51 -7.774 3.883 -3.000 1.00 0.00 N ATOM 0 H ASN A 51 -6.956 4.471 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.500 7.024 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.036 5.952 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.555 4.512 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.548 3.395 -2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.138 3.830 -3.796 1.00 0.00 H new ATOM 408 N VAL A 52 -5.587 6.243 -4.842 1.00 0.00 N ATOM 409 CA VAL A 52 -4.342 6.159 -4.083 1.00 0.00 C ATOM 410 C VAL A 52 -3.665 7.502 -4.049 1.00 0.00 C ATOM 411 O VAL A 52 -3.862 8.318 -4.998 1.00 0.00 O ATOM 412 CB VAL A 52 -3.412 5.041 -4.719 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.135 5.524 -5.455 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.924 3.972 -3.703 1.00 0.00 C ATOM 0 H VAL A 52 -5.455 6.223 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.553 5.877 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.107 4.628 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.590 4.663 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.416 6.176 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.500 6.073 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.294 3.244 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.350 4.456 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.785 3.464 -3.267 1.00 0.00 H new ATOM 415 N SER A 53 -2.763 7.870 -2.940 1.00 0.00 N ATOM 416 CA SER A 53 -1.954 9.091 -2.966 1.00 0.00 C ATOM 417 C SER A 53 -0.483 8.765 -2.873 1.00 0.00 C ATOM 418 O SER A 53 -0.085 7.606 -2.685 1.00 0.00 O ATOM 419 CB SER A 53 -2.408 10.093 -1.878 1.00 0.00 C ATOM 420 OG SER A 53 -1.894 11.415 -2.090 1.00 0.00 O ATOM 0 H SER A 53 -2.645 7.309 -2.097 1.00 0.00 H new ATOM 0 HA SER A 53 -2.112 9.584 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.497 10.131 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.083 9.734 -0.902 1.00 0.00 H new ATOM 0 HG SER A 53 -2.211 12.008 -1.377 1.00 0.00 H new ATOM 421 N PHE A 54 0.462 9.890 -3.061 1.00 0.00 N ATOM 422 CA PHE A 54 1.907 9.683 -3.065 1.00 0.00 C ATOM 423 C PHE A 54 2.635 10.834 -2.412 1.00 0.00 C ATOM 424 O PHE A 54 2.371 12.021 -2.649 1.00 0.00 O ATOM 425 CB PHE A 54 2.428 9.504 -4.522 1.00 0.00 C ATOM 426 CG PHE A 54 1.695 8.472 -5.395 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.590 7.141 -4.989 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.118 8.871 -6.606 1.00 0.00 C ATOM 429 CE1 PHE A 54 0.918 6.217 -5.786 1.00 0.00 C ATOM 430 CE2 PHE A 54 0.449 7.948 -7.402 1.00 0.00 C ATOM 431 CZ PHE A 54 0.348 6.621 -6.992 1.00 0.00 C ATOM 0 H PHE A 54 0.174 10.859 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 54 2.106 8.778 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.377 10.471 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.480 9.224 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.031 6.826 -4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.193 9.901 -6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.839 5.188 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.008 8.260 -8.337 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.173 5.904 -7.609 1.00 0.00 H new ATOM 432 N TYR A 55 3.677 10.460 -1.429 1.00 0.00 N ATOM 433 CA TYR A 55 4.368 11.415 -0.560 1.00 0.00 C ATOM 434 C TYR A 55 5.837 11.060 -0.462 1.00 0.00 C ATOM 435 O TYR A 55 6.231 9.913 -0.799 1.00 0.00 O ATOM 436 CB TYR A 55 3.753 11.397 0.868 1.00 0.00 C ATOM 437 CG TYR A 55 2.275 11.012 1.075 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.534 10.264 0.162 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.645 11.469 2.253 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.194 9.975 0.404 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.307 11.182 2.491 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.420 10.438 1.565 1.00 0.00 C ATOM 443 OH TYR A 55 -1.741 10.169 1.804 1.00 0.00 O ATOM 0 H TYR A 55 3.985 9.497 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 55 4.254 12.409 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.352 10.712 1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.889 12.393 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.004 9.905 -0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.207 12.045 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.370 9.392 -0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.169 11.536 3.394 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.006 10.566 2.660 1.00 0.00 H new ATOM 444 N ALA A 56 6.827 12.066 -0.016 1.00 0.00 N ATOM 445 CA ALA A 56 8.233 11.731 0.230 1.00 0.00 C ATOM 446 C ALA A 56 8.444 11.010 1.538 1.00 0.00 C ATOM 447 O ALA A 56 9.410 10.233 1.691 1.00 0.00 O ATOM 448 CB ALA A 56 9.046 13.033 0.129 1.00 0.00 C ATOM 0 H ALA A 56 6.599 13.047 0.148 1.00 0.00 H new ATOM 0 HA ALA A 56 8.578 11.022 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.100 12.819 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.926 13.461 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.689 13.744 0.874 1.00 0.00 H new ATOM 449 N ASN A 57 7.498 11.280 2.643 1.00 0.00 N ATOM 450 CA ASN A 57 7.588 10.578 3.920 1.00 0.00 C ATOM 451 C ASN A 57 6.229 10.345 4.536 1.00 0.00 C ATOM 452 O ASN A 57 5.231 10.996 4.197 1.00 0.00 O ATOM 453 CB ASN A 57 8.505 11.370 4.897 1.00 0.00 C ATOM 454 CG ASN A 57 8.926 10.653 6.185 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.750 11.138 7.292 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.478 9.473 6.093 1.00 0.00 N ATOM 0 H ASN A 57 6.738 11.958 2.588 1.00 0.00 H new ATOM 0 HA ASN A 57 8.025 9.598 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.408 11.658 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.992 12.291 5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.754 8.972 6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.633 9.052 5.177 1.00 0.00 H new ATOM 457 N ALA A 58 6.152 9.260 5.543 1.00 0.00 N ATOM 458 CA ALA A 58 4.951 9.005 6.329 1.00 0.00 C ATOM 459 C ALA A 58 4.664 10.119 7.308 1.00 0.00 C ATOM 460 O ALA A 58 3.607 10.135 7.967 1.00 0.00 O ATOM 461 CB ALA A 58 5.125 7.639 7.021 1.00 0.00 C ATOM 0 H ALA A 58 6.925 8.628 5.750 1.00 0.00 H new ATOM 0 HA ALA A 58 4.078 8.975 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.240 7.419 7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.256 6.863 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.002 7.668 7.668 1.00 0.00 H new ATOM 462 N SER A 59 5.694 11.165 7.483 1.00 0.00 N ATOM 463 CA SER A 59 5.447 12.358 8.293 1.00 0.00 C ATOM 464 C SER A 59 4.383 13.224 7.660 1.00 0.00 C ATOM 465 O SER A 59 3.613 13.915 8.340 1.00 0.00 O ATOM 466 CB SER A 59 6.756 13.147 8.537 1.00 0.00 C ATOM 467 OG SER A 59 6.926 14.240 7.628 1.00 0.00 O ATOM 0 H SER A 59 6.622 11.126 7.062 1.00 0.00 H new ATOM 0 HA SER A 59 5.076 12.038 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.760 13.527 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.605 12.470 8.445 1.00 0.00 H new ATOM 0 HG SER A 59 7.766 14.704 7.828 1.00 0.00 H new ATOM 468 N GLU A 60 4.329 13.216 6.181 1.00 0.00 N ATOM 469 CA GLU A 60 3.267 13.894 5.445 1.00 0.00 C ATOM 470 C GLU A 60 1.941 13.188 5.612 1.00 0.00 C ATOM 471 O GLU A 60 0.937 13.787 6.023 1.00 0.00 O ATOM 472 CB GLU A 60 3.671 13.976 3.944 1.00 0.00 C ATOM 473 CG GLU A 60 2.505 14.056 2.904 1.00 0.00 C ATOM 474 CD GLU A 60 2.308 15.348 2.110 1.00 0.00 C ATOM 475 OE1 GLU A 60 3.212 15.897 1.493 1.00 0.00 O ATOM 476 OE2 GLU A 60 1.035 15.831 2.154 1.00 0.00 O ATOM 0 H GLU A 60 5.015 12.746 5.590 1.00 0.00 H new ATOM 0 HA GLU A 60 3.141 14.900 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.306 14.852 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.278 13.102 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.647 13.247 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.575 13.851 3.435 1.00 0.00 H new ATOM 477 N ALA A 61 1.890 11.764 5.217 1.00 0.00 N ATOM 478 CA ALA A 61 0.685 10.959 5.377 1.00 0.00 C ATOM 479 C ALA A 61 0.186 10.916 6.800 1.00 0.00 C ATOM 480 O ALA A 61 -0.976 10.507 7.046 1.00 0.00 O ATOM 481 CB ALA A 61 0.958 9.566 4.790 1.00 0.00 C ATOM 0 H ALA A 61 2.680 11.259 4.814 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.134 11.425 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.069 8.945 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.209 9.659 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.790 9.104 5.321 1.00 0.00 H new ATOM 482 N LEU A 62 1.087 11.323 7.896 1.00 0.00 N ATOM 483 CA LEU A 62 0.601 11.498 9.268 1.00 0.00 C ATOM 484 C LEU A 62 -0.015 12.871 9.424 1.00 0.00 C ATOM 485 O LEU A 62 -1.117 13.041 9.961 1.00 0.00 O ATOM 486 CB LEU A 62 1.738 11.262 10.298 1.00 0.00 C ATOM 487 CG LEU A 62 1.420 10.456 11.588 1.00 0.00 C ATOM 488 CD1 LEU A 62 1.871 11.244 12.826 1.00 0.00 C ATOM 489 CD2 LEU A 62 -0.068 10.093 11.719 1.00 0.00 C ATOM 0 H LEU A 62 2.083 11.505 7.776 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.169 10.752 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.551 10.752 9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.116 12.238 10.603 1.00 0.00 H new ATOM 0 HG LEU A 62 1.973 9.519 11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.644 10.671 13.725 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.945 11.423 12.772 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.345 12.198 12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.226 9.531 12.640 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.664 11.005 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.371 9.485 10.866 1.00 0.00 H new ATOM 490 N ALA A 63 0.801 14.003 8.930 1.00 0.00 N ATOM 491 CA ALA A 63 0.280 15.364 8.840 1.00 0.00 C ATOM 492 C ALA A 63 -1.022 15.398 8.076 1.00 0.00 C ATOM 493 O ALA A 63 -1.847 16.309 8.235 1.00 0.00 O ATOM 494 CB ALA A 63 1.365 16.247 8.195 1.00 0.00 C ATOM 0 H ALA A 63 1.769 13.908 8.624 1.00 0.00 H new ATOM 0 HA ALA A 63 0.051 15.751 9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.001 17.271 8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.264 16.228 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.599 15.867 7.201 1.00 0.00 H new ATOM 495 N ALA A 64 -1.280 14.266 7.158 1.00 0.00 N ATOM 496 CA ALA A 64 -2.567 14.096 6.489 1.00 0.00 C ATOM 497 C ALA A 64 -3.612 13.662 7.501 1.00 0.00 C ATOM 498 O ALA A 64 -4.755 14.134 7.525 1.00 0.00 O ATOM 499 CB ALA A 64 -2.379 13.076 5.356 1.00 0.00 C ATOM 0 H ALA A 64 -0.593 13.546 6.936 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.921 15.031 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.327 12.929 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.634 13.447 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.043 12.127 5.773 1.00 0.00 H new ATOM 500 N GLY A 65 -3.149 12.637 8.468 1.00 0.00 N ATOM 501 CA GLY A 65 -3.970 12.213 9.602 1.00 0.00 C ATOM 502 C GLY A 65 -4.533 10.828 9.318 1.00 0.00 C ATOM 503 O GLY A 65 -5.674 10.485 9.646 1.00 0.00 O ATOM 0 H GLY A 65 -2.245 12.169 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.373 12.197 10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.781 12.923 9.765 1.00 0.00 H new ATOM 504 N PHE A 66 -3.618 9.931 8.579 1.00 0.00 N ATOM 505 CA PHE A 66 -4.029 8.636 8.047 1.00 0.00 C ATOM 506 C PHE A 66 -3.554 7.499 8.917 1.00 0.00 C ATOM 507 O PHE A 66 -3.169 7.724 10.092 1.00 0.00 O ATOM 508 CB PHE A 66 -3.461 8.482 6.598 1.00 0.00 C ATOM 509 CG PHE A 66 -4.230 7.519 5.683 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.573 7.237 5.978 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.620 6.902 4.590 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.295 6.354 5.183 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.345 6.017 3.795 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.678 5.743 4.094 1.00 0.00 C ATOM 0 H PHE A 66 -2.641 10.159 8.394 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.118 8.596 8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.443 9.465 6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.428 8.142 6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.048 7.708 6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.586 7.111 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.330 6.143 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.874 5.543 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.236 5.053 3.478 1.00 0.00 H new ATOM 515 N ARG A 67 -3.588 6.120 8.384 1.00 0.00 N ATOM 516 CA ARG A 67 -3.103 4.983 9.174 1.00 0.00 C ATOM 517 C ARG A 67 -1.690 4.598 8.815 1.00 0.00 C ATOM 518 O ARG A 67 -1.392 4.171 7.692 1.00 0.00 O ATOM 519 CB ARG A 67 -4.080 3.788 9.010 1.00 0.00 C ATOM 520 CG ARG A 67 -3.556 2.437 9.569 1.00 0.00 C ATOM 521 CD ARG A 67 -2.615 2.619 10.767 1.00 0.00 C ATOM 522 NE ARG A 67 -3.378 3.253 11.873 1.00 0.00 N ATOM 523 CZ ARG A 67 -4.071 2.606 12.800 1.00 0.00 C ATOM 524 NH1 ARG A 67 -4.179 1.312 12.866 1.00 0.00 N ATOM 525 NH2 ARG A 67 -4.674 3.311 13.690 1.00 0.00 N ATOM 0 H ARG A 67 -3.940 5.873 7.459 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.076 5.280 10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.018 4.032 9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.306 3.664 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.403 1.819 9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.032 1.900 8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.216 1.656 11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.764 3.240 10.489 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.368 4.272 11.923 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.712 0.725 12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.730 0.884 13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.608 4.329 13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.218 2.853 14.421 1.00 0.00 H new ATOM 526 N PRO A 68 -0.687 4.720 9.897 1.00 0.00 N ATOM 527 CA PRO A 68 0.809 4.423 9.801 1.00 0.00 C ATOM 528 C PRO A 68 1.154 2.987 9.470 1.00 0.00 C ATOM 529 O PRO A 68 1.095 2.101 10.346 1.00 0.00 O ATOM 530 CB PRO A 68 1.419 4.755 11.162 1.00 0.00 C ATOM 531 CG PRO A 68 0.218 4.578 12.103 1.00 0.00 C ATOM 532 CD PRO A 68 -0.950 5.158 11.291 1.00 0.00 C ATOM 0 HA PRO A 68 1.202 5.023 8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.239 4.083 11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.816 5.769 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.053 3.530 12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.360 5.112 13.043 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.908 4.783 11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.984 6.245 11.366 1.00 0.00 H new ATOM 533 N CYS A 69 1.584 2.670 8.092 1.00 0.00 N ATOM 534 CA CYS A 69 1.947 1.318 7.661 1.00 0.00 C ATOM 535 C CYS A 69 3.426 1.268 7.323 1.00 0.00 C ATOM 536 O CYS A 69 3.909 1.645 6.248 1.00 0.00 O ATOM 537 CB CYS A 69 0.983 0.910 6.536 1.00 0.00 C ATOM 538 SG CYS A 69 0.652 -0.858 6.428 1.00 0.00 S ATOM 0 H CYS A 69 1.656 3.370 7.354 1.00 0.00 H new ATOM 0 HA CYS A 69 1.829 0.574 8.448 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.038 1.434 6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.394 1.247 5.584 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.607 -1.049 6.164 1.00 0.00 H new ATOM 539 N LYS A 70 4.297 0.761 8.427 1.00 0.00 N ATOM 540 CA LYS A 70 5.746 0.636 8.313 1.00 0.00 C ATOM 541 C LYS A 70 6.103 -0.711 7.725 1.00 0.00 C ATOM 542 O LYS A 70 6.249 -0.848 6.493 1.00 0.00 O ATOM 543 CB LYS A 70 6.395 0.836 9.709 1.00 0.00 C ATOM 544 CG LYS A 70 7.943 0.769 9.694 1.00 0.00 C ATOM 545 CD LYS A 70 8.648 2.027 10.209 1.00 0.00 C ATOM 546 CE LYS A 70 8.843 1.914 11.727 1.00 0.00 C ATOM 547 NZ LYS A 70 7.564 2.180 12.409 1.00 0.00 N ATOM 0 H LYS A 70 3.932 0.469 9.334 1.00 0.00 H new ATOM 0 HA LYS A 70 6.132 1.405 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.086 1.802 10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.014 0.074 10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.261 -0.081 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.274 0.577 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.612 2.145 9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.057 2.912 9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.204 0.918 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.600 2.624 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.739 2.355 13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.112 3.016 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.937 1.357 12.304 1.00 0.00 H new ATOM 548 N ARG A 71 6.308 -1.837 8.659 1.00 0.00 N ATOM 549 CA ARG A 71 6.427 -3.216 8.155 1.00 0.00 C ATOM 550 C ARG A 71 5.149 -3.536 7.398 1.00 0.00 C ATOM 551 O ARG A 71 5.121 -3.656 6.168 1.00 0.00 O ATOM 552 CB ARG A 71 6.666 -4.174 9.344 1.00 0.00 C ATOM 553 CG ARG A 71 6.800 -5.675 8.969 1.00 0.00 C ATOM 554 CD ARG A 71 5.556 -6.490 9.345 1.00 0.00 C ATOM 555 NE ARG A 71 5.986 -7.667 10.142 1.00 0.00 N ATOM 556 CZ ARG A 71 6.388 -7.637 11.406 1.00 0.00 C ATOM 557 NH1 ARG A 71 6.466 -6.557 12.125 1.00 0.00 N ATOM 558 NH2 ARG A 71 6.721 -8.754 11.950 1.00 0.00 N ATOM 0 H ARG A 71 6.378 -1.742 9.672 1.00 0.00 H new ATOM 0 HA ARG A 71 7.274 -3.333 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.573 -3.864 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.842 -4.065 10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.978 -5.764 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.671 -6.095 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.861 -5.877 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.029 -6.813 8.447 1.00 0.00 H new ATOM 0 HE ARG A 71 5.971 -8.575 9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.209 -5.656 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.785 -6.610 13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.670 -9.619 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.036 -8.775 12.920 1.00 0.00 H new ATOM 559 N CYS A 72 3.936 -3.653 8.236 1.00 0.00 N ATOM 560 CA CYS A 72 2.588 -3.724 7.692 1.00 0.00 C ATOM 561 C CYS A 72 1.559 -3.869 8.793 1.00 0.00 C ATOM 562 O CYS A 72 0.910 -4.915 8.941 1.00 0.00 O ATOM 563 CB CYS A 72 2.501 -4.837 6.630 1.00 0.00 C ATOM 564 SG CYS A 72 2.320 -4.129 4.979 1.00 0.00 S ATOM 0 H CYS A 72 3.966 -3.692 9.255 1.00 0.00 H new ATOM 0 HA CYS A 72 2.356 -2.785 7.189 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.398 -5.456 6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.654 -5.488 6.847 1.00 0.00 H new ATOM 0 HG CYS A 72 1.291 -3.335 4.958 1.00 0.00 H new