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 57 ASN : amide:sc= -2.78! C(o=-2.8!,f=-6.4!) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 CYS SG : rot 109:sc= -0.0914 USER MOD Set 2.2: A 42 CYS SG : rot -33:sc= -4.38! USER MOD Set 2.3: A 69 CYS SG : rot -150:sc= -0.762 USER MOD Set 2.4: A 72 CYS SG : rot -14:sc= -1.11 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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) USER MOD Single : A 15 SER OG : rot 67:sc= 0.0537 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 113:sc= -2.77! USER MOD Single : A 46 HIS : no HE2:sc= -1.93! C(o=-1.9!,f=-4.7!) USER MOD Single : A 51 ASN : amide:sc= -5.89! C(o=-5.9!,f=-13!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.47 USER MOD Single : A 55 TYR OH : rot 180:sc=-0.000184 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N THR A 8 5.987 12.256 -12.654 1.00 0.00 N ATOM 54 CA THR A 8 6.154 11.990 -11.229 1.00 0.00 C ATOM 55 C THR A 8 5.402 10.750 -10.809 1.00 0.00 C ATOM 56 O THR A 8 5.945 9.846 -10.159 1.00 0.00 O ATOM 57 CB THR A 8 5.680 13.228 -10.388 1.00 0.00 C ATOM 58 OG1 THR A 8 6.795 14.021 -10.001 1.00 0.00 O ATOM 59 CG2 THR A 8 4.943 12.919 -9.068 1.00 0.00 C ATOM 0 HA THR A 8 7.214 11.817 -11.041 1.00 0.00 H new ATOM 0 HB THR A 8 4.983 13.722 -11.066 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.484 14.790 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.666 13.853 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.044 12.340 -9.280 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.597 12.345 -8.412 1.00 0.00 H new ATOM 60 N ASP A 9 3.971 10.690 -11.182 1.00 0.00 N ATOM 61 CA ASP A 9 3.088 9.635 -10.694 1.00 0.00 C ATOM 62 C ASP A 9 3.517 8.278 -11.198 1.00 0.00 C ATOM 63 O ASP A 9 3.436 7.265 -10.485 1.00 0.00 O ATOM 64 CB ASP A 9 1.616 9.951 -11.068 1.00 0.00 C ATOM 65 CG ASP A 9 1.201 11.429 -11.041 1.00 0.00 C ATOM 66 OD1 ASP A 9 1.531 12.051 -9.870 1.00 0.00 O ATOM 67 OD2 ASP A 9 0.620 11.975 -11.968 1.00 0.00 O ATOM 0 H ASP A 9 3.515 11.368 -11.793 1.00 0.00 H new ATOM 0 HA ASP A 9 3.160 9.602 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.428 9.563 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.966 9.402 -10.386 1.00 0.00 H new ATOM 68 N ASP A 10 4.010 8.211 -12.590 1.00 0.00 N ATOM 69 CA ASP A 10 4.292 6.939 -13.249 1.00 0.00 C ATOM 70 C ASP A 10 5.604 6.354 -12.783 1.00 0.00 C ATOM 71 O ASP A 10 5.736 5.137 -12.586 1.00 0.00 O ATOM 72 CB ASP A 10 4.241 7.107 -14.790 1.00 0.00 C ATOM 73 CG ASP A 10 3.298 6.165 -15.554 1.00 0.00 C ATOM 74 OD1 ASP A 10 2.208 5.794 -14.818 1.00 0.00 O ATOM 75 OD2 ASP A 10 3.504 5.805 -16.704 1.00 0.00 O ATOM 0 H ASP A 10 4.182 9.031 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 10 3.518 6.226 -12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.950 8.134 -15.011 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.249 6.971 -15.181 1.00 0.00 H new ATOM 76 N GLN A 11 6.711 7.305 -12.548 1.00 0.00 N ATOM 77 CA GLN A 11 7.981 6.907 -11.940 1.00 0.00 C ATOM 78 C GLN A 11 7.765 6.397 -10.534 1.00 0.00 C ATOM 79 O GLN A 11 8.180 5.299 -10.141 1.00 0.00 O ATOM 80 CB GLN A 11 8.926 8.128 -11.955 1.00 0.00 C ATOM 81 CG GLN A 11 8.863 9.077 -10.712 1.00 0.00 C ATOM 82 CD GLN A 11 10.155 9.708 -10.181 1.00 0.00 C ATOM 83 OE1 GLN A 11 10.696 9.285 -9.172 1.00 0.00 O ATOM 84 NE2 GLN A 11 10.682 10.736 -10.796 1.00 0.00 N ATOM 0 H GLN A 11 6.662 8.294 -12.793 1.00 0.00 H new ATOM 0 HA GLN A 11 8.429 6.092 -12.508 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.949 7.766 -12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.707 8.717 -12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.178 9.889 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.413 8.515 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.245 11.104 -11.641 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.530 11.169 -10.431 1.00 0.00 H new ATOM 85 N ARG A 12 6.976 7.286 -9.649 1.00 0.00 N ATOM 86 CA ARG A 12 6.507 6.916 -8.322 1.00 0.00 C ATOM 87 C ARG A 12 5.997 5.490 -8.279 1.00 0.00 C ATOM 88 O ARG A 12 6.420 4.598 -7.519 1.00 0.00 O ATOM 89 CB ARG A 12 5.320 7.878 -7.969 1.00 0.00 C ATOM 90 CG ARG A 12 5.659 9.128 -7.127 1.00 0.00 C ATOM 91 CD ARG A 12 7.083 9.662 -7.328 1.00 0.00 C ATOM 92 NE ARG A 12 7.438 10.487 -6.142 1.00 0.00 N ATOM 93 CZ ARG A 12 6.799 11.580 -5.748 1.00 0.00 C ATOM 94 NH1 ARG A 12 5.766 12.086 -6.355 1.00 0.00 N ATOM 95 NH2 ARG A 12 7.236 12.175 -4.695 1.00 0.00 N ATOM 0 H ARG A 12 6.707 8.232 -9.920 1.00 0.00 H new ATOM 0 HA ARG A 12 7.334 6.995 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.864 8.211 -8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.565 7.303 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.950 9.919 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.519 8.889 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.786 8.837 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.141 10.259 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 12 8.239 10.187 -5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.397 11.637 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.325 12.932 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.045 11.803 -4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.774 13.019 -4.357 1.00 0.00 H new ATOM 96 N TRP A 13 4.873 5.222 -9.206 1.00 0.00 N ATOM 97 CA TRP A 13 4.084 4.004 -9.123 1.00 0.00 C ATOM 98 C TRP A 13 4.769 2.810 -9.726 1.00 0.00 C ATOM 99 O TRP A 13 4.492 1.650 -9.345 1.00 0.00 O ATOM 100 CB TRP A 13 2.695 4.309 -9.799 1.00 0.00 C ATOM 101 CG TRP A 13 1.882 3.011 -9.892 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.782 2.186 -11.029 1.00 0.00 C ATOM 103 CD2 TRP A 13 1.217 2.362 -8.876 1.00 0.00 C ATOM 104 NE1 TRP A 13 1.050 1.015 -10.745 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.716 1.145 -9.403 1.00 0.00 C ATOM 106 CE3 TRP A 13 1.023 2.703 -7.511 1.00 0.00 C ATOM 107 CZ2 TRP A 13 0.007 0.262 -8.558 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.305 1.821 -6.705 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.199 0.618 -7.222 1.00 0.00 C ATOM 0 H TRP A 13 4.584 5.860 -9.948 1.00 0.00 H new ATOM 0 HA TRP A 13 3.947 3.725 -8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.150 5.053 -9.218 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.846 4.730 -10.793 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.210 2.420 -11.993 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.819 0.250 -11.378 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.422 3.622 -7.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.371 -0.675 -8.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.134 2.067 -5.667 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.756 -0.045 -6.576 1.00 0.00 H new ATOM 110 N GLN A 14 5.752 3.040 -10.808 1.00 0.00 N ATOM 111 CA GLN A 14 6.609 1.959 -11.299 1.00 0.00 C ATOM 112 C GLN A 14 7.434 1.416 -10.144 1.00 0.00 C ATOM 113 O GLN A 14 7.883 0.264 -10.132 1.00 0.00 O ATOM 114 CB GLN A 14 7.513 2.468 -12.436 1.00 0.00 C ATOM 115 CG GLN A 14 7.989 1.396 -13.477 1.00 0.00 C ATOM 116 CD GLN A 14 9.398 1.496 -14.072 1.00 0.00 C ATOM 117 OE1 GLN A 14 9.652 2.288 -14.966 1.00 0.00 O ATOM 118 NE2 GLN A 14 10.352 0.717 -13.629 1.00 0.00 N ATOM 0 H GLN A 14 5.895 3.938 -11.270 1.00 0.00 H new ATOM 0 HA GLN A 14 5.993 1.155 -11.702 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.979 3.253 -12.972 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.395 2.929 -11.992 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.904 0.419 -13.002 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.282 1.410 -14.307 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.160 0.049 -12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.288 0.778 -14.030 1.00 0.00 H new ATOM 119 N SER A 15 7.636 2.360 -9.018 1.00 0.00 N ATOM 120 CA SER A 15 8.243 1.952 -7.757 1.00 0.00 C ATOM 121 C SER A 15 7.316 1.041 -6.984 1.00 0.00 C ATOM 122 O SER A 15 7.759 0.039 -6.391 1.00 0.00 O ATOM 123 CB SER A 15 8.685 3.171 -6.909 1.00 0.00 C ATOM 124 OG SER A 15 9.664 3.982 -7.569 1.00 0.00 O ATOM 0 H SER A 15 7.367 3.343 -9.051 1.00 0.00 H new ATOM 0 HA SER A 15 9.146 1.389 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.812 3.781 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.091 2.820 -5.960 1.00 0.00 H new ATOM 0 HG SER A 15 9.258 4.415 -8.349 1.00 0.00 H new ATOM 125 N VAL A 16 5.875 1.412 -6.933 1.00 0.00 N ATOM 126 CA VAL A 16 4.901 0.496 -6.336 1.00 0.00 C ATOM 127 C VAL A 16 4.913 -0.868 -6.974 1.00 0.00 C ATOM 128 O VAL A 16 5.041 -1.918 -6.283 1.00 0.00 O ATOM 129 CB VAL A 16 3.461 1.124 -6.233 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.555 0.551 -5.091 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.459 2.653 -5.994 1.00 0.00 C ATOM 0 H VAL A 16 5.486 2.284 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 16 5.225 0.337 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 16 3.061 0.857 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.587 1.052 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.413 -0.519 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.034 0.721 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.431 3.011 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.975 2.876 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.969 3.151 -6.819 1.00 0.00 H new ATOM 132 N LEU A 17 4.726 -0.970 -8.434 1.00 0.00 N ATOM 133 CA LEU A 17 4.829 -2.268 -9.145 1.00 0.00 C ATOM 134 C LEU A 17 6.105 -2.958 -8.744 1.00 0.00 C ATOM 135 O LEU A 17 6.164 -4.157 -8.439 1.00 0.00 O ATOM 136 CB LEU A 17 4.741 -2.072 -10.683 1.00 0.00 C ATOM 137 CG LEU A 17 3.466 -1.374 -11.242 1.00 0.00 C ATOM 138 CD1 LEU A 17 3.324 -1.663 -12.741 1.00 0.00 C ATOM 139 CD2 LEU A 17 2.189 -1.803 -10.502 1.00 0.00 C ATOM 0 H LEU A 17 4.518 -0.175 -9.038 1.00 0.00 H new ATOM 0 HA LEU A 17 3.988 -2.900 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.609 -1.493 -11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.823 -3.052 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 17 3.589 -0.303 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.430 -1.171 -13.123 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.200 -1.285 -13.269 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.242 -2.738 -12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.330 -1.288 -10.931 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.054 -2.880 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.277 -1.546 -9.446 1.00 0.00 H new ATOM 205 N PHE A 27 9.690 7.461 0.009 1.00 0.00 N ATOM 206 CA PHE A 27 8.312 7.878 -0.230 1.00 0.00 C ATOM 207 C PHE A 27 7.310 6.944 0.398 1.00 0.00 C ATOM 208 O PHE A 27 7.617 5.856 0.905 1.00 0.00 O ATOM 209 CB PHE A 27 8.045 8.128 -1.739 1.00 0.00 C ATOM 210 CG PHE A 27 7.703 6.971 -2.687 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.728 6.283 -3.352 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.371 6.609 -2.925 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.422 5.248 -4.231 1.00 0.00 C ATOM 214 CE2 PHE A 27 6.069 5.574 -3.803 1.00 0.00 C ATOM 215 CZ PHE A 27 7.093 4.893 -4.457 1.00 0.00 C ATOM 0 HA PHE A 27 8.174 8.835 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.226 8.845 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.931 8.619 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.759 6.557 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.574 7.137 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.215 4.719 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.040 5.298 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.857 4.090 -5.139 1.00 0.00 H new ATOM 216 N VAL A 28 5.902 7.402 0.372 1.00 0.00 N ATOM 217 CA VAL A 28 4.802 6.778 1.111 1.00 0.00 C ATOM 218 C VAL A 28 3.552 6.784 0.254 1.00 0.00 C ATOM 219 O VAL A 28 3.433 7.627 -0.671 1.00 0.00 O ATOM 220 CB VAL A 28 4.572 7.595 2.443 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.831 7.812 3.336 1.00 0.00 C ATOM 222 CG2 VAL A 28 4.006 9.020 2.204 1.00 0.00 C ATOM 0 H VAL A 28 5.602 8.206 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 28 5.042 5.744 1.358 1.00 0.00 H new ATOM 0 HB VAL A 28 3.863 6.944 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.555 8.384 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.233 6.845 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.587 8.359 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.873 9.524 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.702 9.589 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.045 8.949 1.695 1.00 0.00 H new ATOM 223 N PHE A 29 2.484 5.789 0.480 1.00 0.00 N ATOM 224 CA PHE A 29 1.336 5.635 -0.429 1.00 0.00 C ATOM 225 C PHE A 29 0.075 5.500 0.388 1.00 0.00 C ATOM 226 O PHE A 29 0.053 4.794 1.419 1.00 0.00 O ATOM 227 CB PHE A 29 1.549 4.376 -1.316 1.00 0.00 C ATOM 228 CG PHE A 29 0.601 3.174 -1.193 1.00 0.00 C ATOM 229 CD1 PHE A 29 0.506 2.466 0.009 1.00 0.00 C ATOM 230 CD2 PHE A 29 -0.120 2.731 -2.308 1.00 0.00 C ATOM 231 CE1 PHE A 29 -0.308 1.343 0.103 1.00 0.00 C ATOM 232 CE2 PHE A 29 -0.929 1.602 -2.216 1.00 0.00 C ATOM 233 CZ PHE A 29 -1.025 0.910 -1.009 1.00 0.00 C ATOM 0 H PHE A 29 2.472 5.149 1.274 1.00 0.00 H new ATOM 0 HA PHE A 29 1.247 6.508 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.521 4.704 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.558 4.012 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.069 2.794 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.048 3.267 -3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.384 0.807 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.482 1.262 -3.079 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.657 0.037 -0.937 1.00 0.00 H new ATOM 234 N ALA A 30 -1.117 6.263 -0.038 1.00 0.00 N ATOM 235 CA ALA A 30 -2.315 6.346 0.792 1.00 0.00 C ATOM 236 C ALA A 30 -3.550 5.948 0.021 1.00 0.00 C ATOM 237 O ALA A 30 -4.111 6.726 -0.763 1.00 0.00 O ATOM 238 CB ALA A 30 -2.395 7.776 1.354 1.00 0.00 C ATOM 0 H ALA A 30 -1.181 6.771 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.257 5.640 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.282 7.872 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.506 7.983 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.454 8.488 0.531 1.00 0.00 H new ATOM 239 N VAL A 31 -4.074 4.591 0.287 1.00 0.00 N ATOM 240 CA VAL A 31 -5.323 4.118 -0.314 1.00 0.00 C ATOM 241 C VAL A 31 -6.472 4.300 0.648 1.00 0.00 C ATOM 242 O VAL A 31 -6.621 3.561 1.631 1.00 0.00 O ATOM 243 CB VAL A 31 -5.160 2.610 -0.748 1.00 0.00 C ATOM 244 CG1 VAL A 31 -3.986 1.821 -0.090 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.407 1.729 -0.494 1.00 0.00 C ATOM 0 H VAL A 31 -3.613 3.911 0.891 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.547 4.708 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.967 2.757 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.978 0.799 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.040 2.305 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.118 1.807 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.205 0.709 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.641 1.728 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.254 2.128 -1.051 1.00 0.00 H new ATOM 246 N ARG A 32 -7.395 5.425 0.373 1.00 0.00 N ATOM 247 CA ARG A 32 -8.425 5.818 1.329 1.00 0.00 C ATOM 248 C ARG A 32 -9.701 5.029 1.175 1.00 0.00 C ATOM 249 O ARG A 32 -10.806 5.535 1.460 1.00 0.00 O ATOM 250 CB ARG A 32 -8.686 7.344 1.186 1.00 0.00 C ATOM 251 CG ARG A 32 -9.157 7.804 -0.220 1.00 0.00 C ATOM 252 CD ARG A 32 -9.434 9.312 -0.280 1.00 0.00 C ATOM 253 NE ARG A 32 -10.681 9.587 0.480 1.00 0.00 N ATOM 254 CZ ARG A 32 -11.289 10.762 0.564 1.00 0.00 C ATOM 255 NH1 ARG A 32 -10.869 11.848 -0.014 1.00 0.00 N ATOM 256 NH2 ARG A 32 -12.366 10.824 1.264 1.00 0.00 N ATOM 0 H ARG A 32 -7.374 5.985 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.061 5.595 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.438 7.638 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.770 7.878 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.396 7.548 -0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.061 7.260 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.599 9.869 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.540 9.638 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.105 8.805 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.019 11.830 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.390 12.718 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.721 9.988 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.865 11.709 1.355 1.00 0.00 H new ATOM 257 N THR A 33 -9.598 3.629 0.713 1.00 0.00 N ATOM 258 CA THR A 33 -10.771 2.767 0.590 1.00 0.00 C ATOM 259 C THR A 33 -10.865 1.804 1.750 1.00 0.00 C ATOM 260 O THR A 33 -11.952 1.533 2.283 1.00 0.00 O ATOM 261 CB THR A 33 -10.757 1.997 -0.773 1.00 0.00 C ATOM 262 OG1 THR A 33 -11.963 1.261 -0.940 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.636 0.952 -0.958 1.00 0.00 C ATOM 0 H THR A 33 -8.719 3.180 0.454 1.00 0.00 H new ATOM 0 HA THR A 33 -11.656 3.403 0.612 1.00 0.00 H new ATOM 0 HB THR A 33 -10.608 2.799 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.940 0.786 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.731 0.486 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.665 1.442 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.719 0.189 -0.184 1.00 0.00 H new ATOM 264 N THR A 34 -9.602 1.175 2.192 1.00 0.00 N ATOM 265 CA THR A 34 -9.526 0.359 3.402 1.00 0.00 C ATOM 266 C THR A 34 -8.945 1.155 4.547 1.00 0.00 C ATOM 267 O THR A 34 -9.133 0.841 5.730 1.00 0.00 O ATOM 268 CB THR A 34 -8.705 -0.947 3.137 1.00 0.00 C ATOM 269 OG1 THR A 34 -9.097 -1.538 1.903 1.00 0.00 O ATOM 270 CG2 THR A 34 -8.867 -2.080 4.173 1.00 0.00 C ATOM 0 H THR A 34 -8.718 1.267 1.692 1.00 0.00 H new ATOM 0 HA THR A 34 -10.536 0.063 3.684 1.00 0.00 H new ATOM 0 HB THR A 34 -7.676 -0.589 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.574 -2.353 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.250 -2.930 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.553 -1.724 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.912 -2.387 4.216 1.00 0.00 H new ATOM 271 N GLY A 35 -8.104 2.315 4.169 1.00 0.00 N ATOM 272 CA GLY A 35 -7.625 3.287 5.144 1.00 0.00 C ATOM 273 C GLY A 35 -6.257 2.994 5.702 1.00 0.00 C ATOM 274 O GLY A 35 -6.080 2.839 6.932 1.00 0.00 O ATOM 0 H GLY A 35 -7.808 2.507 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.609 4.272 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.336 3.336 5.968 1.00 0.00 H new ATOM 275 N ILE A 36 -5.128 2.856 4.754 1.00 0.00 N ATOM 276 CA ILE A 36 -3.745 2.773 5.221 1.00 0.00 C ATOM 277 C ILE A 36 -2.818 3.648 4.410 1.00 0.00 C ATOM 278 O ILE A 36 -2.870 3.714 3.172 1.00 0.00 O ATOM 279 CB ILE A 36 -3.215 1.288 5.321 1.00 0.00 C ATOM 280 CG1 ILE A 36 -2.009 0.909 4.405 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.342 0.225 5.134 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.366 0.198 3.086 1.00 0.00 C ATOM 0 H ILE A 36 -5.236 2.811 3.741 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.749 3.163 6.239 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.836 1.267 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.458 1.819 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.335 0.266 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.916 -0.775 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.100 0.359 5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.799 0.348 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.453 -0.018 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.887 -0.734 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.011 0.842 2.488 1.00 0.00 H new ATOM 283 N PHE A 37 -1.859 4.460 5.191 1.00 0.00 N ATOM 284 CA PHE A 37 -0.756 5.213 4.574 1.00 0.00 C ATOM 285 C PHE A 37 0.527 4.445 4.782 1.00 0.00 C ATOM 286 O PHE A 37 1.171 4.538 5.854 1.00 0.00 O ATOM 287 CB PHE A 37 -0.677 6.651 5.163 1.00 0.00 C ATOM 288 CG PHE A 37 0.205 6.968 6.378 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.568 7.246 6.228 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.364 6.990 7.656 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.348 7.540 7.343 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.414 7.292 8.768 1.00 0.00 C ATOM 293 CZ PHE A 37 1.771 7.566 8.612 1.00 0.00 C ATOM 0 H PHE A 37 -1.900 4.550 6.206 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.929 5.323 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.353 7.308 4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.694 6.944 5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.016 7.232 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.414 6.771 7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.401 7.748 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.033 7.314 9.751 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.377 7.799 9.475 1.00 0.00 H new ATOM 294 N CYS A 38 0.982 3.522 3.721 1.00 0.00 N ATOM 295 CA CYS A 38 2.087 2.588 3.920 1.00 0.00 C ATOM 296 C CYS A 38 3.244 2.904 3.010 1.00 0.00 C ATOM 297 O CYS A 38 3.085 3.634 2.011 1.00 0.00 O ATOM 298 CB CYS A 38 1.545 1.166 3.595 1.00 0.00 C ATOM 299 SG CYS A 38 2.724 -0.126 4.086 1.00 0.00 S ATOM 0 H CYS A 38 0.561 3.477 2.793 1.00 0.00 H new ATOM 0 HA CYS A 38 2.450 2.658 4.945 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.598 1.010 4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.343 1.088 2.527 1.00 0.00 H new ATOM 0 HG CYS A 38 2.261 -0.767 5.118 1.00 0.00 H new ATOM 300 N ARG A 39 4.540 2.275 3.326 1.00 0.00 N ATOM 301 CA ARG A 39 5.616 2.276 2.308 1.00 0.00 C ATOM 302 C ARG A 39 5.167 1.308 1.220 1.00 0.00 C ATOM 303 O ARG A 39 4.406 0.344 1.476 1.00 0.00 O ATOM 304 CB ARG A 39 6.999 2.008 2.926 1.00 0.00 C ATOM 305 CG ARG A 39 7.107 2.106 4.473 1.00 0.00 C ATOM 306 CD ARG A 39 8.515 1.771 4.982 1.00 0.00 C ATOM 307 NE ARG A 39 8.830 2.658 6.131 1.00 0.00 N ATOM 308 CZ ARG A 39 9.374 3.864 6.047 1.00 0.00 C ATOM 309 NH1 ARG A 39 9.714 4.440 4.932 1.00 0.00 N ATOM 310 NH2 ARG A 39 9.576 4.502 7.146 1.00 0.00 N ATOM 0 H ARG A 39 4.773 1.824 4.211 1.00 0.00 H new ATOM 0 HA ARG A 39 5.764 3.256 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.317 1.010 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.708 2.713 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.839 3.114 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.387 1.426 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.568 0.726 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.247 1.909 4.186 1.00 0.00 H new ATOM 0 HE ARG A 39 8.609 2.310 7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.566 3.960 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.129 5.372 4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.320 4.077 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.993 5.433 7.126 1.00 0.00 H new ATOM 311 N PRO A 40 5.680 1.517 -0.141 1.00 0.00 N ATOM 312 CA PRO A 40 5.318 0.713 -1.413 1.00 0.00 C ATOM 313 C PRO A 40 4.613 -0.605 -1.262 1.00 0.00 C ATOM 314 O PRO A 40 4.873 -1.411 -0.345 1.00 0.00 O ATOM 315 CB PRO A 40 6.652 0.601 -2.144 1.00 0.00 C ATOM 316 CG PRO A 40 7.192 2.031 -1.936 1.00 0.00 C ATOM 317 CD PRO A 40 6.645 2.544 -0.597 1.00 0.00 C ATOM 0 HA PRO A 40 4.535 1.242 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.303 -0.158 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.530 0.351 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.282 2.031 -1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.878 2.681 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.447 2.678 0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.159 3.512 -0.717 1.00 0.00 H new ATOM 318 N SER A 41 3.614 -0.991 -2.294 1.00 0.00 N ATOM 319 CA SER A 41 2.655 -2.082 -2.234 1.00 0.00 C ATOM 320 C SER A 41 2.588 -2.912 -0.981 1.00 0.00 C ATOM 321 O SER A 41 3.504 -3.664 -0.624 1.00 0.00 O ATOM 322 CB SER A 41 2.857 -3.015 -3.480 1.00 0.00 C ATOM 323 OG SER A 41 2.580 -2.357 -4.716 1.00 0.00 O ATOM 0 H SER A 41 3.539 -0.473 -3.169 1.00 0.00 H new ATOM 0 HA SER A 41 1.693 -1.570 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.884 -3.381 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.209 -3.886 -3.384 1.00 0.00 H new ATOM 0 HG SER A 41 3.408 -2.268 -5.232 1.00 0.00 H new ATOM 324 N CYS A 42 1.317 -2.829 -0.205 1.00 0.00 N ATOM 325 CA CYS A 42 1.000 -3.717 0.903 1.00 0.00 C ATOM 326 C CYS A 42 0.775 -5.129 0.368 1.00 0.00 C ATOM 327 O CYS A 42 0.434 -5.354 -0.799 1.00 0.00 O ATOM 328 CB CYS A 42 -0.222 -3.224 1.698 1.00 0.00 C ATOM 329 SG CYS A 42 0.090 -1.671 2.556 1.00 0.00 S ATOM 0 H CYS A 42 0.588 -2.144 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 42 1.842 -3.724 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.065 -3.097 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.509 -3.985 2.424 1.00 0.00 H new ATOM 0 HG CYS A 42 1.337 -1.620 2.921 1.00 0.00 H new ATOM 330 N ARG A 43 0.992 -6.202 1.359 1.00 0.00 N ATOM 331 CA ARG A 43 1.004 -7.620 0.993 1.00 0.00 C ATOM 332 C ARG A 43 -0.272 -8.319 1.374 1.00 0.00 C ATOM 333 O ARG A 43 -0.540 -9.459 0.950 1.00 0.00 O ATOM 334 CB ARG A 43 2.309 -8.228 1.597 1.00 0.00 C ATOM 335 CG ARG A 43 3.502 -7.236 1.629 1.00 0.00 C ATOM 336 CD ARG A 43 4.705 -7.699 2.455 1.00 0.00 C ATOM 337 NE ARG A 43 4.641 -9.162 2.689 1.00 0.00 N ATOM 338 CZ ARG A 43 5.278 -9.811 3.661 1.00 0.00 C ATOM 339 NH1 ARG A 43 6.055 -9.246 4.536 1.00 0.00 N ATOM 340 NH2 ARG A 43 5.111 -11.085 3.732 1.00 0.00 N ATOM 0 H ARG A 43 1.146 -6.028 2.352 1.00 0.00 H new ATOM 0 HA ARG A 43 1.029 -7.758 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.104 -8.570 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.593 -9.106 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.831 -7.053 0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.152 -6.283 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.629 -7.448 1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.723 -7.172 3.409 1.00 0.00 H new ATOM 0 HE ARG A 43 4.063 -9.714 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.210 -8.238 4.505 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.510 -9.810 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.509 -11.559 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.581 -11.621 4.462 1.00 0.00 H new ATOM 341 N ALA A 44 -1.216 -7.581 2.239 1.00 0.00 N ATOM 342 CA ALA A 44 -2.569 -8.054 2.499 1.00 0.00 C ATOM 343 C ALA A 44 -3.474 -7.678 1.335 1.00 0.00 C ATOM 344 O ALA A 44 -3.041 -7.183 0.287 1.00 0.00 O ATOM 345 CB ALA A 44 -3.038 -7.428 3.822 1.00 0.00 C ATOM 0 H ALA A 44 -0.986 -6.703 2.705 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.601 -9.140 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.051 -7.764 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.369 -7.734 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.027 -6.342 3.734 1.00 0.00 H new ATOM 346 N ARG A 45 -4.913 -7.996 1.539 1.00 0.00 N ATOM 347 CA ARG A 45 -5.927 -7.544 0.590 1.00 0.00 C ATOM 348 C ARG A 45 -5.683 -6.095 0.217 1.00 0.00 C ATOM 349 O ARG A 45 -6.075 -5.167 0.936 1.00 0.00 O ATOM 350 CB ARG A 45 -7.342 -7.742 1.192 1.00 0.00 C ATOM 351 CG ARG A 45 -7.499 -8.967 2.130 1.00 0.00 C ATOM 352 CD ARG A 45 -7.645 -8.560 3.605 1.00 0.00 C ATOM 353 NE ARG A 45 -9.085 -8.330 3.880 1.00 0.00 N ATOM 354 CZ ARG A 45 -9.642 -7.220 4.341 1.00 0.00 C ATOM 355 NH1 ARG A 45 -8.990 -6.132 4.622 1.00 0.00 N ATOM 356 NH2 ARG A 45 -10.918 -7.224 4.521 1.00 0.00 N ATOM 0 H ARG A 45 -5.276 -8.532 2.327 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.861 -8.140 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.611 -6.843 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.056 -7.838 0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.373 -9.544 1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.633 -9.619 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.253 -9.342 4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.070 -7.657 3.809 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.714 -9.111 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.979 -6.095 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.489 -5.315 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.460 -8.062 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.386 -6.389 4.875 1.00 0.00 H new ATOM 357 N HIS A 46 -4.923 -5.858 -1.029 1.00 0.00 N ATOM 358 CA HIS A 46 -4.453 -4.530 -1.411 1.00 0.00 C ATOM 359 C HIS A 46 -5.375 -3.867 -2.405 1.00 0.00 C ATOM 360 O HIS A 46 -6.074 -4.520 -3.191 1.00 0.00 O ATOM 361 CB HIS A 46 -3.053 -4.729 -2.018 1.00 0.00 C ATOM 362 CG HIS A 46 -2.913 -4.115 -3.380 1.00 0.00 C ATOM 363 ND1 HIS A 46 -3.641 -4.468 -4.514 1.00 0.00 N ATOM 364 CD2 HIS A 46 -2.007 -3.099 -3.654 1.00 0.00 C ATOM 365 CE1 HIS A 46 -3.103 -3.617 -5.407 1.00 0.00 C ATOM 366 NE2 HIS A 46 -2.129 -2.769 -4.979 1.00 0.00 N ATOM 0 H HIS A 46 -4.681 -6.594 -1.693 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.428 -3.872 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.308 -4.294 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.839 -5.796 -2.082 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.372 -5.170 -4.633 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.326 -2.648 -2.947 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.435 -3.607 -6.435 1.00 0.00 H new ATOM 367 N ALA A 47 -5.401 -2.386 -2.377 1.00 0.00 N ATOM 368 CA ALA A 47 -6.243 -1.607 -3.279 1.00 0.00 C ATOM 369 C ALA A 47 -5.438 -1.070 -4.439 1.00 0.00 C ATOM 370 O ALA A 47 -4.199 -1.076 -4.433 1.00 0.00 O ATOM 371 CB ALA A 47 -6.910 -0.495 -2.451 1.00 0.00 C ATOM 0 H ALA A 47 -4.842 -1.822 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.018 -2.231 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.548 0.107 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.513 -0.942 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.142 0.139 -2.007 1.00 0.00 H new ATOM 372 N LEU A 48 -6.214 -0.551 -5.586 1.00 0.00 N ATOM 373 CA LEU A 48 -5.574 -0.123 -6.828 1.00 0.00 C ATOM 374 C LEU A 48 -4.845 1.185 -6.634 1.00 0.00 C ATOM 375 O LEU A 48 -4.921 1.828 -5.578 1.00 0.00 O ATOM 376 CB LEU A 48 -6.627 -0.023 -7.969 1.00 0.00 C ATOM 377 CG LEU A 48 -7.897 -0.911 -7.864 1.00 0.00 C ATOM 378 CD1 LEU A 48 -9.064 -0.097 -7.287 1.00 0.00 C ATOM 379 CD2 LEU A 48 -8.310 -1.528 -9.209 1.00 0.00 C ATOM 0 H LEU A 48 -7.230 -0.459 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.834 -0.870 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.950 1.016 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.127 -0.263 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.648 -1.736 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.949 -0.729 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.799 0.266 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.274 0.751 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.203 -2.137 -9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.520 -0.733 -9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.500 -2.152 -9.587 1.00 0.00 H new ATOM 380 N ARG A 49 -3.999 1.639 -7.763 1.00 0.00 N ATOM 381 CA ARG A 49 -3.375 2.958 -7.775 1.00 0.00 C ATOM 382 C ARG A 49 -4.393 4.063 -7.925 1.00 0.00 C ATOM 383 O ARG A 49 -4.091 5.252 -7.736 1.00 0.00 O ATOM 384 CB ARG A 49 -2.320 3.009 -8.918 1.00 0.00 C ATOM 385 CG ARG A 49 -2.663 2.188 -10.189 1.00 0.00 C ATOM 386 CD ARG A 49 -1.692 2.457 -11.346 1.00 0.00 C ATOM 387 NE ARG A 49 -2.476 2.901 -12.526 1.00 0.00 N ATOM 388 CZ ARG A 49 -2.735 4.161 -12.849 1.00 0.00 C ATOM 389 NH1 ARG A 49 -2.328 5.191 -12.168 1.00 0.00 N ATOM 390 NH2 ARG A 49 -3.435 4.370 -13.907 1.00 0.00 N ATOM 0 H ARG A 49 -3.801 1.073 -8.588 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.883 3.120 -6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.176 4.050 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.368 2.653 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.647 1.126 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.678 2.427 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.968 3.221 -11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.127 1.556 -11.584 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.847 2.176 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.771 5.057 -11.324 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.566 6.133 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.768 3.582 -14.462 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.657 5.324 -14.191 1.00 0.00 H new ATOM 391 N GLU A 50 -5.762 3.669 -8.333 1.00 0.00 N ATOM 392 CA GLU A 50 -6.788 4.630 -8.704 1.00 0.00 C ATOM 393 C GLU A 50 -7.603 5.144 -7.542 1.00 0.00 C ATOM 394 O GLU A 50 -8.658 5.791 -7.759 1.00 0.00 O ATOM 395 CB GLU A 50 -7.725 3.983 -9.772 1.00 0.00 C ATOM 396 CG GLU A 50 -7.601 2.449 -10.045 1.00 0.00 C ATOM 397 CD GLU A 50 -7.652 1.964 -11.498 1.00 0.00 C ATOM 398 OE1 GLU A 50 -8.619 2.143 -12.226 1.00 0.00 O ATOM 399 OE2 GLU A 50 -6.522 1.319 -11.899 1.00 0.00 O ATOM 0 H GLU A 50 -6.073 2.699 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.273 5.501 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.754 4.184 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.559 4.502 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.659 2.109 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.400 1.948 -9.499 1.00 0.00 H new ATOM 400 N ASN A 51 -7.169 4.854 -6.169 1.00 0.00 N ATOM 401 CA ASN A 51 -7.813 5.475 -4.984 1.00 0.00 C ATOM 402 C ASN A 51 -6.710 5.888 -4.031 1.00 0.00 C ATOM 403 O ASN A 51 -6.875 6.107 -2.824 1.00 0.00 O ATOM 404 CB ASN A 51 -8.690 4.379 -4.330 1.00 0.00 C ATOM 405 CG ASN A 51 -8.042 3.500 -3.257 1.00 0.00 C ATOM 406 OD1 ASN A 51 -8.532 3.328 -2.151 1.00 0.00 O ATOM 407 ND2 ASN A 51 -6.925 2.887 -3.553 1.00 0.00 N ATOM 0 H ASN A 51 -6.407 4.216 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.419 6.344 -5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.559 4.864 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.058 3.726 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.479 2.279 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.500 3.017 -4.471 1.00 0.00 H new ATOM 408 N VAL A 52 -5.353 5.961 -4.657 1.00 0.00 N ATOM 409 CA VAL A 52 -4.117 6.020 -3.879 1.00 0.00 C ATOM 410 C VAL A 52 -3.555 7.412 -3.875 1.00 0.00 C ATOM 411 O VAL A 52 -3.798 8.185 -4.845 1.00 0.00 O ATOM 412 CB VAL A 52 -3.099 4.948 -4.479 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.060 5.452 -5.510 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.292 4.214 -3.380 1.00 0.00 C ATOM 0 H VAL A 52 -5.204 5.974 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.309 5.772 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.793 4.292 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.435 4.620 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.577 5.873 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.435 6.219 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.615 3.496 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.715 4.939 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.977 3.689 -2.715 1.00 0.00 H new ATOM 415 N SER A 53 -2.755 7.895 -2.732 1.00 0.00 N ATOM 416 CA SER A 53 -2.043 9.179 -2.767 1.00 0.00 C ATOM 417 C SER A 53 -0.638 9.020 -2.245 1.00 0.00 C ATOM 418 O SER A 53 -0.402 8.348 -1.221 1.00 0.00 O ATOM 419 CB SER A 53 -2.833 10.272 -2.008 1.00 0.00 C ATOM 420 OG SER A 53 -2.225 11.566 -2.104 1.00 0.00 O ATOM 0 H SER A 53 -2.645 7.379 -1.859 1.00 0.00 H new ATOM 0 HA SER A 53 -1.967 9.508 -3.803 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.847 10.322 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.915 9.991 -0.958 1.00 0.00 H new ATOM 0 HG SER A 53 -2.764 12.218 -1.609 1.00 0.00 H new ATOM 421 N PHE A 54 0.463 9.718 -2.955 1.00 0.00 N ATOM 422 CA PHE A 54 1.867 9.465 -2.646 1.00 0.00 C ATOM 423 C PHE A 54 2.636 10.676 -2.186 1.00 0.00 C ATOM 424 O PHE A 54 2.470 11.805 -2.666 1.00 0.00 O ATOM 425 CB PHE A 54 2.565 8.846 -3.904 1.00 0.00 C ATOM 426 CG PHE A 54 1.959 7.521 -4.395 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.373 6.640 -3.476 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.970 7.190 -5.753 1.00 0.00 C ATOM 429 CE1 PHE A 54 0.811 5.444 -3.915 1.00 0.00 C ATOM 430 CE2 PHE A 54 1.409 5.995 -6.189 1.00 0.00 C ATOM 431 CZ PHE A 54 0.829 5.122 -5.272 1.00 0.00 C ATOM 0 H PHE A 54 0.314 10.408 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 54 1.874 8.774 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.524 9.571 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.618 8.684 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.357 6.889 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.417 7.866 -6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.361 4.766 -3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.423 5.744 -7.239 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.393 4.194 -5.612 1.00 0.00 H new ATOM 432 N TYR A 55 3.609 10.447 -1.084 1.00 0.00 N ATOM 433 CA TYR A 55 4.318 11.521 -0.390 1.00 0.00 C ATOM 434 C TYR A 55 5.767 11.143 -0.165 1.00 0.00 C ATOM 435 O TYR A 55 6.107 9.942 -0.117 1.00 0.00 O ATOM 436 CB TYR A 55 3.678 11.787 1.003 1.00 0.00 C ATOM 437 CG TYR A 55 2.180 11.490 1.202 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.305 11.662 0.125 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.678 11.082 2.440 1.00 0.00 C ATOM 440 CE1 TYR A 55 -0.057 11.429 0.284 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.313 10.851 2.596 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.552 11.027 1.521 1.00 0.00 C ATOM 443 OH TYR A 55 -1.892 10.809 1.682 1.00 0.00 O ATOM 0 H TYR A 55 3.846 9.517 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 55 4.252 12.412 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.231 11.201 1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.841 12.837 1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.688 11.977 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.348 10.946 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.729 11.560 -0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.074 10.535 3.553 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.070 10.533 2.605 1.00 0.00 H new ATOM 444 N ALA A 56 6.782 12.208 0.027 1.00 0.00 N ATOM 445 CA ALA A 56 8.187 11.924 0.298 1.00 0.00 C ATOM 446 C ALA A 56 8.420 11.142 1.568 1.00 0.00 C ATOM 447 O ALA A 56 9.351 10.309 1.637 1.00 0.00 O ATOM 448 CB ALA A 56 8.957 13.262 0.286 1.00 0.00 C ATOM 0 H ALA A 56 6.564 13.204 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 56 8.562 11.266 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.012 13.076 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.851 13.734 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.552 13.922 1.054 1.00 0.00 H new ATOM 449 N ASN A 57 7.559 11.419 2.737 1.00 0.00 N ATOM 450 CA ASN A 57 7.803 10.797 4.037 1.00 0.00 C ATOM 451 C ASN A 57 6.538 10.656 4.849 1.00 0.00 C ATOM 452 O ASN A 57 5.531 11.341 4.625 1.00 0.00 O ATOM 453 CB ASN A 57 8.870 11.619 4.815 1.00 0.00 C ATOM 454 CG ASN A 57 8.881 11.478 6.341 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.524 12.382 7.083 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.299 10.359 6.866 1.00 0.00 N ATOM 0 H ASN A 57 6.756 12.048 2.716 1.00 0.00 H new ATOM 0 HA ASN A 57 8.177 9.788 3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.854 11.336 4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.728 12.672 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.324 10.249 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.601 9.594 6.263 1.00 0.00 H new ATOM 457 N ALA A 58 6.568 9.634 5.923 1.00 0.00 N ATOM 458 CA ALA A 58 5.382 9.277 6.693 1.00 0.00 C ATOM 459 C ALA A 58 4.827 10.465 7.443 1.00 0.00 C ATOM 460 O ALA A 58 3.624 10.537 7.741 1.00 0.00 O ATOM 461 CB ALA A 58 5.756 8.110 7.624 1.00 0.00 C ATOM 0 H ALA A 58 7.408 9.121 6.190 1.00 0.00 H new ATOM 0 HA ALA A 58 4.581 8.959 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.886 7.821 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.088 7.260 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.560 8.420 8.292 1.00 0.00 H new ATOM 462 N SER A 59 5.788 11.517 7.840 1.00 0.00 N ATOM 463 CA SER A 59 5.389 12.653 8.666 1.00 0.00 C ATOM 464 C SER A 59 4.297 13.452 7.991 1.00 0.00 C ATOM 465 O SER A 59 3.413 14.027 8.641 1.00 0.00 O ATOM 466 CB SER A 59 6.607 13.541 9.020 1.00 0.00 C ATOM 467 OG SER A 59 7.357 13.041 10.133 1.00 0.00 O ATOM 0 H SER A 59 6.771 11.519 7.570 1.00 0.00 H new ATOM 0 HA SER A 59 4.986 12.266 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.261 13.615 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.261 14.550 9.245 1.00 0.00 H new ATOM 0 HG SER A 59 8.114 13.637 10.312 1.00 0.00 H new ATOM 468 N GLU A 60 4.364 13.529 6.515 1.00 0.00 N ATOM 469 CA GLU A 60 3.345 14.210 5.723 1.00 0.00 C ATOM 470 C GLU A 60 2.012 13.504 5.820 1.00 0.00 C ATOM 471 O GLU A 60 0.982 14.106 6.151 1.00 0.00 O ATOM 472 CB GLU A 60 3.829 14.291 4.247 1.00 0.00 C ATOM 473 CG GLU A 60 2.730 14.236 3.133 1.00 0.00 C ATOM 474 CD GLU A 60 2.580 15.445 2.207 1.00 0.00 C ATOM 475 OE1 GLU A 60 3.473 15.826 1.460 1.00 0.00 O ATOM 476 OE2 GLU A 60 1.367 16.058 2.294 1.00 0.00 O ATOM 0 H GLU A 60 5.116 13.117 5.962 1.00 0.00 H new ATOM 0 HA GLU A 60 3.199 15.217 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.389 15.218 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.527 13.472 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.929 13.363 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.770 14.068 3.620 1.00 0.00 H new ATOM 477 N ALA A 61 2.000 12.070 5.456 1.00 0.00 N ATOM 478 CA ALA A 61 0.794 11.256 5.551 1.00 0.00 C ATOM 479 C ALA A 61 0.175 11.267 6.929 1.00 0.00 C ATOM 480 O ALA A 61 -1.050 11.060 7.072 1.00 0.00 O ATOM 481 CB ALA A 61 1.150 9.835 5.083 1.00 0.00 C ATOM 0 H ALA A 61 2.820 11.564 5.120 1.00 0.00 H new ATOM 0 HA ALA A 61 0.024 11.681 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.266 9.200 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.503 9.869 4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.933 9.427 5.722 1.00 0.00 H new ATOM 482 N LEU A 62 1.055 11.477 8.096 1.00 0.00 N ATOM 483 CA LEU A 62 0.508 11.679 9.442 1.00 0.00 C ATOM 484 C LEU A 62 -0.114 13.054 9.543 1.00 0.00 C ATOM 485 O LEU A 62 -1.165 13.254 10.166 1.00 0.00 O ATOM 486 CB LEU A 62 1.605 11.462 10.518 1.00 0.00 C ATOM 487 CG LEU A 62 1.452 10.315 11.553 1.00 0.00 C ATOM 488 CD1 LEU A 62 0.455 9.259 11.057 1.00 0.00 C ATOM 489 CD2 LEU A 62 2.794 9.638 11.887 1.00 0.00 C ATOM 0 H LEU A 62 2.074 11.495 8.047 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.273 10.941 9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.548 11.304 9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.702 12.393 11.076 1.00 0.00 H new ATOM 0 HG LEU A 62 1.073 10.774 12.466 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.365 8.466 11.800 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.519 9.723 10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.810 8.837 10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.630 8.844 12.615 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.224 9.215 10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.480 10.376 12.304 1.00 0.00 H new ATOM 490 N ALA A 63 0.631 14.149 8.887 1.00 0.00 N ATOM 491 CA ALA A 63 0.078 15.493 8.737 1.00 0.00 C ATOM 492 C ALA A 63 -1.242 15.456 8.003 1.00 0.00 C ATOM 493 O ALA A 63 -2.122 16.305 8.201 1.00 0.00 O ATOM 494 CB ALA A 63 1.126 16.368 8.026 1.00 0.00 C ATOM 0 H ALA A 63 1.569 14.040 8.501 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.136 15.927 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.734 17.378 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.037 16.403 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.350 15.944 7.047 1.00 0.00 H new ATOM 495 N ALA A 64 -1.426 14.353 7.034 1.00 0.00 N ATOM 496 CA ALA A 64 -2.703 14.116 6.366 1.00 0.00 C ATOM 497 C ALA A 64 -3.730 13.627 7.367 1.00 0.00 C ATOM 498 O ALA A 64 -4.928 13.926 7.285 1.00 0.00 O ATOM 499 CB ALA A 64 -2.457 13.116 5.225 1.00 0.00 C ATOM 0 H ALA A 64 -0.689 13.698 6.773 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.107 15.035 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.395 12.918 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.735 13.535 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.066 12.185 5.635 1.00 0.00 H new ATOM 500 N GLY A 65 -3.190 12.792 8.467 1.00 0.00 N ATOM 501 CA GLY A 65 -4.032 12.306 9.556 1.00 0.00 C ATOM 502 C GLY A 65 -4.474 10.882 9.281 1.00 0.00 C ATOM 503 O GLY A 65 -5.579 10.455 9.638 1.00 0.00 O ATOM 0 H GLY A 65 -2.213 12.507 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.483 12.349 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.904 12.950 9.666 1.00 0.00 H new ATOM 504 N PHE A 66 -3.504 10.045 8.539 1.00 0.00 N ATOM 505 CA PHE A 66 -3.841 8.714 8.046 1.00 0.00 C ATOM 506 C PHE A 66 -3.244 7.627 8.904 1.00 0.00 C ATOM 507 O PHE A 66 -2.685 7.906 9.990 1.00 0.00 O ATOM 508 CB PHE A 66 -3.335 8.558 6.577 1.00 0.00 C ATOM 509 CG PHE A 66 -4.125 7.562 5.714 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.439 7.236 6.091 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.563 6.962 4.587 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.176 6.325 5.344 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.304 6.049 3.840 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.607 5.731 4.220 1.00 0.00 C ATOM 0 H PHE A 66 -2.551 10.339 8.327 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.925 8.609 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.364 9.535 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.291 8.245 6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.878 7.695 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.553 7.205 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.187 6.078 5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.869 5.587 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.178 5.021 3.640 1.00 0.00 H new ATOM 515 N ARG A 67 -3.367 6.224 8.451 1.00 0.00 N ATOM 516 CA ARG A 67 -2.947 5.108 9.302 1.00 0.00 C ATOM 517 C ARG A 67 -1.551 4.638 8.974 1.00 0.00 C ATOM 518 O ARG A 67 -1.255 4.173 7.866 1.00 0.00 O ATOM 519 CB ARG A 67 -3.978 3.952 9.212 1.00 0.00 C ATOM 520 CG ARG A 67 -3.876 2.903 10.354 1.00 0.00 C ATOM 521 CD ARG A 67 -2.651 1.992 10.209 1.00 0.00 C ATOM 522 NE ARG A 67 -1.966 1.904 11.524 1.00 0.00 N ATOM 523 CZ ARG A 67 -2.391 1.206 12.569 1.00 0.00 C ATOM 524 NH1 ARG A 67 -3.482 0.500 12.584 1.00 0.00 N ATOM 525 NH2 ARG A 67 -1.670 1.234 13.633 1.00 0.00 N ATOM 0 H ARG A 67 -3.741 5.947 7.543 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.916 5.463 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.982 4.377 9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.851 3.443 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.829 3.419 11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.779 2.293 10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.955 1.000 9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.972 2.389 9.455 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.095 2.424 11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.074 0.458 11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.746 -0.012 13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.808 1.779 13.651 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.960 0.711 14.460 1.00 0.00 H new ATOM 526 N PRO A 68 -0.555 4.732 10.066 1.00 0.00 N ATOM 527 CA PRO A 68 0.922 4.347 9.995 1.00 0.00 C ATOM 528 C PRO A 68 1.193 2.890 9.691 1.00 0.00 C ATOM 529 O PRO A 68 1.128 2.027 10.588 1.00 0.00 O ATOM 530 CB PRO A 68 1.534 4.673 11.353 1.00 0.00 C ATOM 531 CG PRO A 68 0.316 4.610 12.287 1.00 0.00 C ATOM 532 CD PRO A 68 -0.809 5.224 11.443 1.00 0.00 C ATOM 0 HA PRO A 68 1.356 4.907 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.301 3.952 11.636 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.002 5.657 11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.086 3.585 12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.483 5.173 13.205 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.790 4.911 11.801 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.787 6.313 11.485 1.00 0.00 H new ATOM 533 N CYS A 69 1.499 2.518 8.294 1.00 0.00 N ATOM 534 CA CYS A 69 1.820 1.148 7.872 1.00 0.00 C ATOM 535 C CYS A 69 3.283 1.057 7.494 1.00 0.00 C ATOM 536 O CYS A 69 3.768 1.479 6.434 1.00 0.00 O ATOM 537 CB CYS A 69 0.805 0.753 6.785 1.00 0.00 C ATOM 538 SG CYS A 69 0.525 -1.014 6.578 1.00 0.00 S ATOM 0 H CYS A 69 1.507 3.192 7.529 1.00 0.00 H new ATOM 0 HA CYS A 69 1.715 0.413 8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.149 1.228 7.015 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.143 1.162 5.833 1.00 0.00 H new ATOM 0 HG CYS A 69 0.209 -1.261 5.341 1.00 0.00 H new ATOM 539 N LYS A 70 4.161 0.448 8.543 1.00 0.00 N ATOM 540 CA LYS A 70 5.612 0.361 8.437 1.00 0.00 C ATOM 541 C LYS A 70 6.017 -0.952 7.803 1.00 0.00 C ATOM 542 O LYS A 70 6.396 -1.002 6.620 1.00 0.00 O ATOM 543 CB LYS A 70 6.254 0.518 9.843 1.00 0.00 C ATOM 544 CG LYS A 70 6.320 1.984 10.339 1.00 0.00 C ATOM 545 CD LYS A 70 6.774 3.003 9.290 1.00 0.00 C ATOM 546 CE LYS A 70 5.542 3.590 8.589 1.00 0.00 C ATOM 547 NZ LYS A 70 5.144 4.839 9.262 1.00 0.00 N ATOM 0 H LYS A 70 3.794 0.051 9.408 1.00 0.00 H new ATOM 0 HA LYS A 70 5.971 1.168 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.685 -0.073 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.263 0.106 9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.334 2.274 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.000 2.034 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.351 3.798 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.429 2.525 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.765 3.785 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.721 2.874 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.309 5.238 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.915 4.640 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.927 5.522 9.217 1.00 0.00 H new ATOM 548 N ARG A 71 5.980 -2.156 8.657 1.00 0.00 N ATOM 549 CA ARG A 71 6.152 -3.499 8.077 1.00 0.00 C ATOM 550 C ARG A 71 5.023 -3.726 7.090 1.00 0.00 C ATOM 551 O ARG A 71 5.191 -3.706 5.864 1.00 0.00 O ATOM 552 CB ARG A 71 6.147 -4.545 9.216 1.00 0.00 C ATOM 553 CG ARG A 71 7.468 -5.342 9.399 1.00 0.00 C ATOM 554 CD ARG A 71 7.270 -6.853 9.229 1.00 0.00 C ATOM 555 NE ARG A 71 6.221 -7.075 8.202 1.00 0.00 N ATOM 556 CZ ARG A 71 4.940 -7.322 8.442 1.00 0.00 C ATOM 557 NH1 ARG A 71 4.419 -7.406 9.630 1.00 0.00 N ATOM 558 NH2 ARG A 71 4.168 -7.490 7.427 1.00 0.00 N ATOM 0 H ARG A 71 5.838 -2.141 9.667 1.00 0.00 H new ATOM 0 HA ARG A 71 7.102 -3.593 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.918 -4.036 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.339 -5.253 9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.203 -4.991 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.875 -5.141 10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.204 -7.326 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.976 -7.306 10.176 1.00 0.00 H new ATOM 0 HE ARG A 71 6.511 -7.034 7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.006 -7.279 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.423 -7.599 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.548 -7.431 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.176 -7.682 7.567 1.00 0.00 H new ATOM 559 N CYS A 72 3.691 -3.935 7.698 1.00 0.00 N ATOM 560 CA CYS A 72 2.457 -3.935 6.928 1.00 0.00 C ATOM 561 C CYS A 72 1.254 -4.186 7.808 1.00 0.00 C ATOM 562 O CYS A 72 0.413 -5.057 7.534 1.00 0.00 O ATOM 563 CB CYS A 72 2.548 -4.910 5.738 1.00 0.00 C ATOM 564 SG CYS A 72 1.853 -4.118 4.252 1.00 0.00 S ATOM 0 H CYS A 72 3.551 -4.093 8.696 1.00 0.00 H new ATOM 0 HA CYS A 72 2.318 -2.940 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.587 -5.190 5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.004 -5.827 5.963 1.00 0.00 H new ATOM 0 HG CYS A 72 1.181 -3.060 4.598 1.00 0.00 H new