USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 593 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 Single : A 8 ASN :FLIP amide:sc= -0.431 F(o=-1.5,f=-0.43) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 34 THR OG1 : rot -6:sc= 0.645! USER MOD Single : A 37 THR OG1 : rot -160:sc= -1.38 USER MOD Single : A 40 SER OG : rot 140:sc= -1.32 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.23) USER MOD Single : A 48 CYS SG : rot 27:sc= 0.124 USER MOD Single : A 61 THR OG1 : rot -138:sc= 0.71 USER MOD Single : A 63 SER OG : rot 64:sc= 1.13 USER MOD Single : A 64 MET CE :methyl -155:sc= -0.311 (180deg=-1.49!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 66 HIS :FLIP no HE2:sc= -3.33! C(o=-3.9!,f=-3.3!) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.86! C(o=-5.8!,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= -0.145 (180deg=-0.647) USER MOD Single : A 77 SER OG : rot -104:sc= 1.07 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.379 K(o=-0.38,f=-0.98) USER MOD Single : A 81 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.982 2.181 -3.075 1.00 0.00 N ATOM 60 CA GLY A 7 -14.170 1.566 -4.109 1.00 0.00 C ATOM 61 C GLY A 7 -13.136 0.613 -3.544 1.00 0.00 C ATOM 62 O GLY A 7 -11.987 0.993 -3.321 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.816 1.027 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.667 2.344 -4.683 1.00 0.00 H new ATOM 66 N ASN A 8 -13.544 -0.630 -3.310 1.00 0.00 N ATOM 67 CA ASN A 8 -12.645 -1.641 -2.765 1.00 0.00 C ATOM 68 C ASN A 8 -11.641 -2.100 -3.818 1.00 0.00 C ATOM 69 O ASN A 8 -11.969 -2.206 -4.999 1.00 0.00 O ATOM 70 CB ASN A 8 -13.443 -2.839 -2.248 1.00 0.00 C ATOM 71 CG ASN A 8 -14.447 -3.347 -3.265 1.00 0.00 C ATOM 72 OD1 ASN A 8 -13.947 -3.920 -4.354 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -15.657 -3.227 -3.073 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.492 -0.962 -3.489 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.097 -1.194 -1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.756 -3.644 -1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.966 -2.557 -1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.996 -2.780 -2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.320 -3.575 -3.766 1.00 0.00 H new ATOM 80 N VAL A 9 -10.416 -2.373 -3.380 1.00 0.00 N ATOM 81 CA VAL A 9 -9.364 -2.823 -4.284 1.00 0.00 C ATOM 82 C VAL A 9 -8.473 -3.864 -3.615 1.00 0.00 C ATOM 83 O VAL A 9 -7.649 -3.536 -2.762 1.00 0.00 O ATOM 84 CB VAL A 9 -8.491 -1.647 -4.760 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.328 -2.150 -5.600 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.328 -0.644 -5.540 1.00 0.00 C ATOM 0 H VAL A 9 -10.128 -2.290 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.858 -3.271 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.083 -1.143 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.723 -1.304 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.715 -2.826 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.711 -2.680 -6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.695 0.180 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.766 -1.134 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.123 -0.259 -4.901 1.00 0.00 H new ATOM 96 N VAL A 10 -8.645 -5.122 -4.009 1.00 0.00 N ATOM 97 CA VAL A 10 -7.855 -6.213 -3.449 1.00 0.00 C ATOM 98 C VAL A 10 -6.949 -6.835 -4.506 1.00 0.00 C ATOM 99 O VAL A 10 -7.420 -7.500 -5.430 1.00 0.00 O ATOM 100 CB VAL A 10 -8.757 -7.310 -2.852 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.959 -8.210 -1.922 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.939 -6.689 -2.123 1.00 0.00 C ATOM 0 H VAL A 10 -9.324 -5.411 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.242 -5.785 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.143 -7.922 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.613 -8.979 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.150 -8.682 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.542 -7.615 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.566 -7.478 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.575 -6.052 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.524 -6.091 -2.822 1.00 0.00 H new ATOM 112 N LEU A 11 -5.647 -6.614 -4.365 1.00 0.00 N ATOM 113 CA LEU A 11 -4.673 -7.153 -5.307 1.00 0.00 C ATOM 114 C LEU A 11 -4.105 -8.477 -4.806 1.00 0.00 C ATOM 115 O LEU A 11 -3.822 -8.650 -3.620 1.00 0.00 O ATOM 116 CB LEU A 11 -3.540 -6.150 -5.530 1.00 0.00 C ATOM 117 CG LEU A 11 -3.956 -4.685 -5.661 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.732 -3.785 -5.724 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.829 -4.487 -6.892 1.00 0.00 C ATOM 0 H LEU A 11 -5.241 -6.065 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.182 -7.333 -6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.838 -6.235 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.001 -6.436 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.537 -4.412 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.049 -2.746 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.145 -3.905 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.124 -4.058 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.116 -3.438 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.273 -4.778 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.724 -5.103 -6.806 1.00 0.00 H new ATOM 131 N PRO A 12 -3.931 -9.434 -5.729 1.00 0.00 N ATOM 132 CA PRO A 12 -3.392 -10.758 -5.405 1.00 0.00 C ATOM 133 C PRO A 12 -1.913 -10.708 -5.037 1.00 0.00 C ATOM 134 O PRO A 12 -1.074 -10.326 -5.850 1.00 0.00 O ATOM 135 CB PRO A 12 -3.594 -11.550 -6.699 1.00 0.00 C ATOM 136 CG PRO A 12 -3.620 -10.519 -7.774 1.00 0.00 C ATOM 137 CD PRO A 12 -4.246 -9.297 -7.161 1.00 0.00 C ATOM 0 HA PRO A 12 -3.886 -11.198 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.786 -12.265 -6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.523 -12.119 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.613 -10.304 -8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.197 -10.864 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.830 -8.380 -7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.322 -9.266 -7.335 1.00 0.00 H new ATOM 145 N GLY A 13 -1.601 -11.098 -3.804 1.00 0.00 N ATOM 146 CA GLY A 13 -0.223 -11.090 -3.350 1.00 0.00 C ATOM 147 C GLY A 13 0.335 -12.488 -3.166 1.00 0.00 C ATOM 148 O GLY A 13 -0.199 -13.466 -3.689 1.00 0.00 O ATOM 0 H GLY A 13 -2.278 -11.419 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.391 -10.549 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.158 -10.549 -2.406 1.00 0.00 H new ATOM 152 N PRO A 14 1.436 -12.594 -2.408 1.00 0.00 N ATOM 153 CA PRO A 14 2.081 -11.436 -1.781 1.00 0.00 C ATOM 154 C PRO A 14 2.753 -10.524 -2.802 1.00 0.00 C ATOM 155 O PRO A 14 2.580 -10.694 -4.008 1.00 0.00 O ATOM 156 CB PRO A 14 3.126 -12.068 -0.859 1.00 0.00 C ATOM 157 CG PRO A 14 3.422 -13.393 -1.474 1.00 0.00 C ATOM 158 CD PRO A 14 2.137 -13.853 -2.105 1.00 0.00 C ATOM 0 HA PRO A 14 1.363 -10.801 -1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.023 -11.452 -0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.743 -12.179 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.214 -13.310 -2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.764 -14.104 -0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.319 -14.439 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.559 -14.482 -1.428 1.00 0.00 H new ATOM 166 N ALA A 15 3.519 -9.556 -2.309 1.00 0.00 N ATOM 167 CA ALA A 15 4.219 -8.619 -3.179 1.00 0.00 C ATOM 168 C ALA A 15 5.232 -9.340 -4.062 1.00 0.00 C ATOM 169 O ALA A 15 5.557 -10.508 -3.848 1.00 0.00 O ATOM 170 CB ALA A 15 4.908 -7.544 -2.351 1.00 0.00 C ATOM 0 H ALA A 15 3.670 -9.400 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 15 3.483 -8.146 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.427 -6.851 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.164 -7.001 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.627 -8.009 -1.677 1.00 0.00 H new ATOM 176 N PRO A 16 5.744 -8.631 -5.078 1.00 0.00 N ATOM 177 CA PRO A 16 5.364 -7.240 -5.342 1.00 0.00 C ATOM 178 C PRO A 16 3.931 -7.116 -5.849 1.00 0.00 C ATOM 179 O PRO A 16 3.310 -8.108 -6.231 1.00 0.00 O ATOM 180 CB PRO A 16 6.353 -6.802 -6.425 1.00 0.00 C ATOM 181 CG PRO A 16 6.752 -8.065 -7.107 1.00 0.00 C ATOM 182 CD PRO A 16 6.732 -9.132 -6.048 1.00 0.00 C ATOM 0 HA PRO A 16 5.400 -6.630 -4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.892 -6.104 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.216 -6.296 -5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.063 -8.306 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.744 -7.973 -7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.439 -10.099 -6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.713 -9.263 -5.591 1.00 0.00 H new ATOM 190 N TRP A 17 3.412 -5.893 -5.849 1.00 0.00 N ATOM 191 CA TRP A 17 2.051 -5.641 -6.309 1.00 0.00 C ATOM 192 C TRP A 17 2.050 -5.115 -7.740 1.00 0.00 C ATOM 193 O TRP A 17 1.294 -5.591 -8.586 1.00 0.00 O ATOM 194 CB TRP A 17 1.355 -4.641 -5.384 1.00 0.00 C ATOM 195 CG TRP A 17 1.425 -5.023 -3.936 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.126 -4.385 -2.953 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.772 -6.132 -3.310 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.947 -5.030 -1.754 1.00 0.00 N ATOM 199 CE2 TRP A 17 1.120 -6.105 -1.946 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.075 -7.145 -3.769 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.650 -7.052 -1.039 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.540 -8.084 -2.868 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.177 -8.032 -1.516 1.00 0.00 C ATOM 0 H TRP A 17 3.913 -5.061 -5.536 1.00 0.00 H new ATOM 0 HA TRP A 17 1.506 -6.584 -6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.809 -3.659 -5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.309 -4.551 -5.679 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.732 -3.503 -3.097 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.363 -4.753 -0.864 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.361 -7.193 -4.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.929 -7.014 0.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.194 -8.871 -3.212 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.558 -8.780 -0.837 1.00 0.00 H new ATOM 214 N GLY A 18 2.901 -4.128 -8.005 1.00 0.00 N ATOM 215 CA GLY A 18 2.981 -3.554 -9.335 1.00 0.00 C ATOM 216 C GLY A 18 2.567 -2.096 -9.363 1.00 0.00 C ATOM 217 O GLY A 18 2.781 -1.401 -10.357 1.00 0.00 O ATOM 0 H GLY A 18 3.536 -3.716 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.002 -3.646 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.343 -4.123 -10.012 1.00 0.00 H new ATOM 221 N PHE A 19 1.971 -1.630 -8.270 1.00 0.00 N ATOM 222 CA PHE A 19 1.524 -0.246 -8.174 1.00 0.00 C ATOM 223 C PHE A 19 2.470 0.572 -7.300 1.00 0.00 C ATOM 224 O PHE A 19 3.100 0.043 -6.384 1.00 0.00 O ATOM 225 CB PHE A 19 0.105 -0.184 -7.605 1.00 0.00 C ATOM 226 CG PHE A 19 0.063 -0.040 -6.111 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.088 -1.159 -5.293 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.000 1.213 -5.524 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.049 -1.029 -3.918 1.00 0.00 C ATOM 230 CE2 PHE A 19 -0.039 1.349 -4.149 1.00 0.00 C ATOM 231 CZ PHE A 19 -0.013 0.227 -3.345 1.00 0.00 C ATOM 0 H PHE A 19 1.787 -2.191 -7.438 1.00 0.00 H new ATOM 0 HA PHE A 19 1.525 0.180 -9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.423 0.655 -8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.432 -1.089 -7.890 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.139 -2.143 -5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.019 2.094 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.067 -1.908 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.090 2.332 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.041 0.331 -2.270 1.00 0.00 H new ATOM 241 N ARG A 20 2.564 1.866 -7.590 1.00 0.00 N ATOM 242 CA ARG A 20 3.434 2.757 -6.832 1.00 0.00 C ATOM 243 C ARG A 20 2.615 3.769 -6.036 1.00 0.00 C ATOM 244 O ARG A 20 1.389 3.818 -6.149 1.00 0.00 O ATOM 245 CB ARG A 20 4.394 3.488 -7.772 1.00 0.00 C ATOM 246 CG ARG A 20 5.172 2.560 -8.690 1.00 0.00 C ATOM 247 CD ARG A 20 6.069 1.619 -7.901 1.00 0.00 C ATOM 248 NE ARG A 20 7.362 2.224 -7.594 1.00 0.00 N ATOM 249 CZ ARG A 20 8.379 2.257 -8.448 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.253 1.724 -9.655 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.525 2.826 -8.095 1.00 0.00 N ATOM 0 H ARG A 20 2.049 2.320 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 20 4.011 2.152 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.827 4.194 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.098 4.071 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.477 1.979 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.778 3.150 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.571 1.337 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.224 0.703 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 20 7.491 2.644 -6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.373 1.287 -9.930 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.036 1.751 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.625 3.238 -7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.305 2.851 -8.751 1.00 0.00 H new ATOM 265 N LEU A 21 3.300 4.575 -5.232 1.00 0.00 N ATOM 266 CA LEU A 21 2.636 5.586 -4.416 1.00 0.00 C ATOM 267 C LEU A 21 3.387 6.912 -4.476 1.00 0.00 C ATOM 268 O LEU A 21 4.617 6.940 -4.505 1.00 0.00 O ATOM 269 CB LEU A 21 2.530 5.111 -2.966 1.00 0.00 C ATOM 270 CG LEU A 21 3.818 4.576 -2.339 1.00 0.00 C ATOM 271 CD1 LEU A 21 4.828 5.698 -2.153 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.523 3.896 -1.011 1.00 0.00 C ATOM 0 H LEU A 21 4.314 4.548 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 21 1.633 5.739 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.171 5.942 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.773 4.329 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 21 4.248 3.837 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.738 5.298 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.064 6.140 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.407 6.461 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.451 3.522 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.069 4.614 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.837 3.065 -1.172 1.00 0.00 H new ATOM 284 N SER A 22 2.638 8.010 -4.491 1.00 0.00 N ATOM 285 CA SER A 22 3.233 9.340 -4.548 1.00 0.00 C ATOM 286 C SER A 22 2.498 10.305 -3.622 1.00 0.00 C ATOM 287 O SER A 22 1.272 10.404 -3.657 1.00 0.00 O ATOM 288 CB SER A 22 3.206 9.873 -5.982 1.00 0.00 C ATOM 289 OG SER A 22 3.270 11.289 -6.002 1.00 0.00 O ATOM 0 H SER A 22 1.618 8.005 -4.464 1.00 0.00 H new ATOM 0 HA SER A 22 4.268 9.262 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.045 9.460 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.295 9.540 -6.480 1.00 0.00 H new ATOM 0 HG SER A 22 3.253 11.604 -6.930 1.00 0.00 H new ATOM 295 N GLY A 23 3.258 11.013 -2.792 1.00 0.00 N ATOM 296 CA GLY A 23 2.663 11.960 -1.867 1.00 0.00 C ATOM 297 C GLY A 23 3.194 11.804 -0.456 1.00 0.00 C ATOM 298 O GLY A 23 4.358 11.459 -0.257 1.00 0.00 O ATOM 0 H GLY A 23 4.275 10.948 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.858 12.974 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.581 11.827 -1.862 1.00 0.00 H new ATOM 302 N GLY A 24 2.337 12.060 0.529 1.00 0.00 N ATOM 303 CA GLY A 24 2.746 11.942 1.916 1.00 0.00 C ATOM 304 C GLY A 24 2.376 13.163 2.735 1.00 0.00 C ATOM 305 O GLY A 24 2.775 14.281 2.409 1.00 0.00 O ATOM 0 H GLY A 24 1.368 12.347 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.281 11.059 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.824 11.790 1.962 1.00 0.00 H new ATOM 309 N ILE A 25 1.611 12.949 3.800 1.00 0.00 N ATOM 310 CA ILE A 25 1.187 14.042 4.667 1.00 0.00 C ATOM 311 C ILE A 25 2.345 14.989 4.964 1.00 0.00 C ATOM 312 O ILE A 25 2.136 16.158 5.289 1.00 0.00 O ATOM 313 CB ILE A 25 0.615 13.516 5.997 1.00 0.00 C ATOM 314 CG1 ILE A 25 1.721 12.862 6.829 1.00 0.00 C ATOM 315 CG2 ILE A 25 -0.512 12.529 5.735 1.00 0.00 C ATOM 316 CD1 ILE A 25 1.358 12.692 8.288 1.00 0.00 C ATOM 0 H ILE A 25 1.272 12.030 4.083 1.00 0.00 H new ATOM 0 HA ILE A 25 0.406 14.583 4.133 1.00 0.00 H new ATOM 0 HB ILE A 25 0.211 14.357 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.955 11.886 6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.625 13.466 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.906 12.166 6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.307 13.024 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.132 11.688 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.187 12.223 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.153 13.668 8.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.472 12.063 8.372 1.00 0.00 H new ATOM 328 N ASP A 26 3.565 14.477 4.848 1.00 0.00 N ATOM 329 CA ASP A 26 4.757 15.278 5.100 1.00 0.00 C ATOM 330 C ASP A 26 5.035 16.222 3.934 1.00 0.00 C ATOM 331 O ASP A 26 5.408 17.378 4.133 1.00 0.00 O ATOM 332 CB ASP A 26 5.966 14.371 5.338 1.00 0.00 C ATOM 333 CG ASP A 26 7.281 15.086 5.099 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.699 15.186 3.926 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.893 15.546 6.085 1.00 0.00 O ATOM 0 H ASP A 26 3.755 13.511 4.581 1.00 0.00 H new ATOM 0 HA ASP A 26 4.580 15.877 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.940 13.997 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.902 13.505 4.680 1.00 0.00 H new ATOM 340 N PHE A 27 4.851 15.721 2.717 1.00 0.00 N ATOM 341 CA PHE A 27 5.084 16.518 1.519 1.00 0.00 C ATOM 342 C PHE A 27 3.853 17.352 1.173 1.00 0.00 C ATOM 343 O PHE A 27 3.749 17.898 0.076 1.00 0.00 O ATOM 344 CB PHE A 27 5.448 15.613 0.341 1.00 0.00 C ATOM 345 CG PHE A 27 6.772 14.922 0.503 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.957 15.620 0.339 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.830 13.574 0.820 1.00 0.00 C ATOM 348 CE1 PHE A 27 9.177 14.986 0.487 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.047 12.935 0.970 1.00 0.00 C ATOM 350 CZ PHE A 27 9.221 13.642 0.804 1.00 0.00 C ATOM 0 H PHE A 27 4.541 14.766 2.535 1.00 0.00 H new ATOM 0 HA PHE A 27 5.915 17.194 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.668 14.862 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.467 16.208 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.928 16.671 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.914 13.016 0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.094 15.541 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.079 11.884 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.173 13.145 0.922 1.00 0.00 H new ATOM 360 N ASN A 28 2.923 17.443 2.118 1.00 0.00 N ATOM 361 CA ASN A 28 1.698 18.208 1.913 1.00 0.00 C ATOM 362 C ASN A 28 0.990 17.769 0.635 1.00 0.00 C ATOM 363 O ASN A 28 0.469 18.597 -0.112 1.00 0.00 O ATOM 364 CB ASN A 28 2.012 19.704 1.848 1.00 0.00 C ATOM 365 CG ASN A 28 2.056 20.346 3.221 1.00 0.00 C ATOM 366 OD1 ASN A 28 3.107 20.399 3.860 1.00 0.00 O ATOM 367 ND2 ASN A 28 0.912 20.837 3.682 1.00 0.00 N ATOM 0 H ASN A 28 2.994 16.997 3.033 1.00 0.00 H new ATOM 0 HA ASN A 28 1.035 18.019 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.971 19.850 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.258 20.204 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.880 21.280 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.065 20.771 3.118 1.00 0.00 H new ATOM 374 N GLN A 29 0.975 16.463 0.392 1.00 0.00 N ATOM 375 CA GLN A 29 0.330 15.915 -0.796 1.00 0.00 C ATOM 376 C GLN A 29 -0.278 14.547 -0.503 1.00 0.00 C ATOM 377 O GLN A 29 0.304 13.719 0.197 1.00 0.00 O ATOM 378 CB GLN A 29 1.336 15.803 -1.942 1.00 0.00 C ATOM 379 CG GLN A 29 1.470 17.077 -2.761 1.00 0.00 C ATOM 380 CD GLN A 29 1.890 16.810 -4.193 1.00 0.00 C ATOM 381 OE1 GLN A 29 1.335 17.382 -5.132 1.00 0.00 O ATOM 382 NE2 GLN A 29 2.874 15.936 -4.368 1.00 0.00 N ATOM 0 H GLN A 29 1.402 15.765 1.001 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.471 16.594 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.312 15.539 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.035 14.988 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.518 17.607 -2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.201 17.733 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.305 15.485 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.199 15.715 -5.309 1.00 0.00 H new ATOM 391 N PRO A 30 -1.478 14.304 -1.050 1.00 0.00 N ATOM 392 CA PRO A 30 -2.192 13.037 -0.861 1.00 0.00 C ATOM 393 C PRO A 30 -1.517 11.878 -1.586 1.00 0.00 C ATOM 394 O PRO A 30 -1.017 12.036 -2.701 1.00 0.00 O ATOM 395 CB PRO A 30 -3.572 13.314 -1.463 1.00 0.00 C ATOM 396 CG PRO A 30 -3.340 14.400 -2.457 1.00 0.00 C ATOM 397 CD PRO A 30 -2.231 15.246 -1.895 1.00 0.00 C ATOM 0 HA PRO A 30 -2.222 12.738 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.983 12.423 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.283 13.623 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.063 13.988 -3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.244 14.991 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.607 15.666 -2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.619 16.084 -1.316 1.00 0.00 H new ATOM 405 N LEU A 31 -1.506 10.713 -0.948 1.00 0.00 N ATOM 406 CA LEU A 31 -0.893 9.526 -1.533 1.00 0.00 C ATOM 407 C LEU A 31 -1.740 8.984 -2.679 1.00 0.00 C ATOM 408 O LEU A 31 -2.857 8.509 -2.470 1.00 0.00 O ATOM 409 CB LEU A 31 -0.707 8.445 -0.466 1.00 0.00 C ATOM 410 CG LEU A 31 0.030 8.875 0.803 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.422 8.040 1.991 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.535 8.760 0.610 1.00 0.00 C ATOM 0 H LEU A 31 -1.915 10.565 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 31 0.082 9.809 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.690 8.070 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.165 7.611 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.212 9.918 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.113 8.360 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.493 8.172 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.210 6.988 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.044 9.070 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.795 7.726 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.846 9.402 -0.214 1.00 0.00 H new ATOM 424 N VAL A 32 -1.201 9.056 -3.892 1.00 0.00 N ATOM 425 CA VAL A 32 -1.906 8.570 -5.072 1.00 0.00 C ATOM 426 C VAL A 32 -0.966 7.808 -5.999 1.00 0.00 C ATOM 427 O VAL A 32 0.177 8.215 -6.211 1.00 0.00 O ATOM 428 CB VAL A 32 -2.555 9.727 -5.855 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.769 10.261 -5.110 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.542 10.834 -6.105 1.00 0.00 C ATOM 0 H VAL A 32 -0.278 9.446 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.687 7.897 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.890 9.348 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.214 11.078 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.501 9.463 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.463 10.626 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.017 11.643 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.175 11.214 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.707 10.439 -6.684 1.00 0.00 H new ATOM 440 N ILE A 33 -1.454 6.701 -6.549 1.00 0.00 N ATOM 441 CA ILE A 33 -0.657 5.883 -7.455 1.00 0.00 C ATOM 442 C ILE A 33 0.133 6.752 -8.429 1.00 0.00 C ATOM 443 O ILE A 33 -0.403 7.691 -9.017 1.00 0.00 O ATOM 444 CB ILE A 33 -1.539 4.907 -8.256 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.299 3.977 -7.307 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.691 4.102 -9.228 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.504 3.319 -7.942 1.00 0.00 C ATOM 0 H ILE A 33 -2.397 6.350 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 33 0.035 5.311 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.265 5.483 -8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.620 3.204 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.623 4.546 -6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.329 3.417 -9.786 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.191 4.778 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.056 3.533 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.994 2.675 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.203 4.086 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.185 2.722 -8.796 1.00 0.00 H new ATOM 459 N THR A 34 1.412 6.430 -8.595 1.00 0.00 N ATOM 460 CA THR A 34 2.277 7.180 -9.498 1.00 0.00 C ATOM 461 C THR A 34 2.745 6.311 -10.659 1.00 0.00 C ATOM 462 O THR A 34 3.306 6.810 -11.634 1.00 0.00 O ATOM 463 CB THR A 34 3.509 7.738 -8.761 1.00 0.00 C ATOM 464 OG1 THR A 34 4.453 8.255 -9.705 1.00 0.00 O ATOM 465 CG2 THR A 34 4.169 6.659 -7.915 1.00 0.00 C ATOM 0 H THR A 34 1.872 5.655 -8.116 1.00 0.00 H new ATOM 0 HA THR A 34 1.686 8.011 -9.884 1.00 0.00 H new ATOM 0 HB THR A 34 3.177 8.541 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.147 8.057 -10.615 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.037 7.077 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.457 6.289 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.487 5.837 -8.557 1.00 0.00 H new ATOM 473 N ARG A 35 2.510 5.007 -10.549 1.00 0.00 N ATOM 474 CA ARG A 35 2.908 4.068 -11.591 1.00 0.00 C ATOM 475 C ARG A 35 2.200 2.728 -11.414 1.00 0.00 C ATOM 476 O ARG A 35 2.001 2.263 -10.291 1.00 0.00 O ATOM 477 CB ARG A 35 4.424 3.863 -11.570 1.00 0.00 C ATOM 478 CG ARG A 35 5.030 3.659 -12.949 1.00 0.00 C ATOM 479 CD ARG A 35 5.251 4.984 -13.662 1.00 0.00 C ATOM 480 NE ARG A 35 6.303 5.776 -13.031 1.00 0.00 N ATOM 481 CZ ARG A 35 7.600 5.552 -13.211 1.00 0.00 C ATOM 482 NH1 ARG A 35 8.002 4.565 -14.000 1.00 0.00 N ATOM 483 NH2 ARG A 35 8.497 6.316 -12.602 1.00 0.00 N ATOM 0 H ARG A 35 2.046 4.577 -9.749 1.00 0.00 H new ATOM 0 HA ARG A 35 2.618 4.488 -12.554 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.893 4.728 -11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.657 2.998 -10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.980 3.132 -12.856 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.372 3.028 -13.547 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.514 4.796 -14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.321 5.553 -13.666 1.00 0.00 H new ATOM 0 HE ARG A 35 6.027 6.543 -12.418 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.315 3.976 -14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.998 4.395 -14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.191 7.076 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.493 6.143 -12.741 1.00 0.00 H new ATOM 497 N ILE A 36 1.821 2.113 -12.530 1.00 0.00 N ATOM 498 CA ILE A 36 1.136 0.827 -12.498 1.00 0.00 C ATOM 499 C ILE A 36 1.770 -0.157 -13.475 1.00 0.00 C ATOM 500 O ILE A 36 2.174 0.217 -14.577 1.00 0.00 O ATOM 501 CB ILE A 36 -0.359 0.977 -12.834 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.097 1.663 -11.683 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.974 -0.382 -13.130 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.197 0.812 -10.437 1.00 0.00 C ATOM 0 H ILE A 36 1.977 2.485 -13.467 1.00 0.00 H new ATOM 0 HA ILE A 36 1.234 0.442 -11.483 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.456 1.599 -13.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.585 2.594 -11.437 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.101 1.929 -12.013 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.031 -0.259 -13.366 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.463 -0.835 -13.979 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.869 -1.027 -12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.732 1.362 -9.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.735 -0.108 -10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.196 0.567 -10.082 1.00 0.00 H new ATOM 516 N THR A 37 1.852 -1.420 -13.066 1.00 0.00 N ATOM 517 CA THR A 37 2.435 -2.459 -13.905 1.00 0.00 C ATOM 518 C THR A 37 1.543 -2.763 -15.104 1.00 0.00 C ATOM 519 O THR A 37 0.318 -2.826 -14.996 1.00 0.00 O ATOM 520 CB THR A 37 2.667 -3.758 -13.110 1.00 0.00 C ATOM 521 OG1 THR A 37 3.587 -3.519 -12.039 1.00 0.00 O ATOM 522 CG2 THR A 37 3.207 -4.856 -14.014 1.00 0.00 C ATOM 0 H THR A 37 1.522 -1.747 -12.158 1.00 0.00 H new ATOM 0 HA THR A 37 3.395 -2.080 -14.256 1.00 0.00 H new ATOM 0 HB THR A 37 1.711 -4.084 -12.701 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.973 -4.370 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.363 -5.764 -13.431 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.491 -5.056 -14.811 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.154 -4.537 -14.448 1.00 0.00 H new ATOM 530 N PRO A 38 2.169 -2.956 -16.274 1.00 0.00 N ATOM 531 CA PRO A 38 1.450 -3.258 -17.515 1.00 0.00 C ATOM 532 C PRO A 38 0.832 -4.652 -17.503 1.00 0.00 C ATOM 533 O PRO A 38 1.502 -5.636 -17.193 1.00 0.00 O ATOM 534 CB PRO A 38 2.539 -3.166 -18.587 1.00 0.00 C ATOM 535 CG PRO A 38 3.809 -3.449 -17.862 1.00 0.00 C ATOM 536 CD PRO A 38 3.626 -2.897 -16.475 1.00 0.00 C ATOM 0 HA PRO A 38 0.614 -2.578 -17.677 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.370 -3.888 -19.386 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.558 -2.179 -19.048 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.011 -4.520 -17.832 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.656 -2.978 -18.361 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.158 -3.491 -15.732 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.002 -1.877 -16.396 1.00 0.00 H new ATOM 544 N GLY A 39 -0.451 -4.729 -17.843 1.00 0.00 N ATOM 545 CA GLY A 39 -1.138 -6.007 -17.865 1.00 0.00 C ATOM 546 C GLY A 39 -0.636 -6.953 -16.792 1.00 0.00 C ATOM 547 O GLY A 39 0.039 -7.938 -17.090 1.00 0.00 O ATOM 0 H GLY A 39 -1.027 -3.929 -18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.207 -5.844 -17.730 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.007 -6.470 -18.843 1.00 0.00 H new ATOM 551 N SER A 40 -0.965 -6.653 -15.539 1.00 0.00 N ATOM 552 CA SER A 40 -0.538 -7.481 -14.418 1.00 0.00 C ATOM 553 C SER A 40 -1.491 -7.328 -13.236 1.00 0.00 C ATOM 554 O SER A 40 -2.515 -6.651 -13.332 1.00 0.00 O ATOM 555 CB SER A 40 0.884 -7.109 -13.993 1.00 0.00 C ATOM 556 OG SER A 40 0.870 -6.127 -12.972 1.00 0.00 O ATOM 0 H SER A 40 -1.526 -5.843 -15.275 1.00 0.00 H new ATOM 0 HA SER A 40 -0.552 -8.522 -14.741 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.406 -7.998 -13.640 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.438 -6.735 -14.854 1.00 0.00 H new ATOM 0 HG SER A 40 1.562 -6.334 -12.310 1.00 0.00 H new ATOM 562 N LYS A 41 -1.146 -7.961 -12.120 1.00 0.00 N ATOM 563 CA LYS A 41 -1.967 -7.896 -10.917 1.00 0.00 C ATOM 564 C LYS A 41 -2.278 -6.449 -10.549 1.00 0.00 C ATOM 565 O LYS A 41 -3.210 -6.178 -9.792 1.00 0.00 O ATOM 566 CB LYS A 41 -1.258 -8.588 -9.752 1.00 0.00 C ATOM 567 CG LYS A 41 -0.835 -10.015 -10.058 1.00 0.00 C ATOM 568 CD LYS A 41 -0.040 -10.619 -8.913 1.00 0.00 C ATOM 569 CE LYS A 41 0.320 -12.071 -9.189 1.00 0.00 C ATOM 570 NZ LYS A 41 0.967 -12.715 -8.013 1.00 0.00 N ATOM 0 H LYS A 41 -0.302 -8.526 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.906 -8.411 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.377 -8.008 -9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.920 -8.592 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.718 -10.624 -10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.234 -10.030 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.871 -10.041 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.620 -10.556 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.581 -12.624 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.991 -12.122 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.197 -13.703 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.840 -12.203 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.317 -12.689 -7.202 1.00 0.00 H new ATOM 584 N ALA A 42 -1.494 -5.523 -11.091 1.00 0.00 N ATOM 585 CA ALA A 42 -1.688 -4.104 -10.822 1.00 0.00 C ATOM 586 C ALA A 42 -2.737 -3.507 -11.754 1.00 0.00 C ATOM 587 O ALA A 42 -3.848 -3.187 -11.330 1.00 0.00 O ATOM 588 CB ALA A 42 -0.371 -3.355 -10.959 1.00 0.00 C ATOM 0 H ALA A 42 -0.718 -5.731 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.047 -4.000 -9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.532 -2.296 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.351 -3.756 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.012 -3.475 -11.972 1.00 0.00 H new ATOM 594 N ALA A 43 -2.378 -3.359 -13.025 1.00 0.00 N ATOM 595 CA ALA A 43 -3.289 -2.802 -14.016 1.00 0.00 C ATOM 596 C ALA A 43 -4.547 -3.654 -14.147 1.00 0.00 C ATOM 597 O ALA A 43 -5.657 -3.130 -14.225 1.00 0.00 O ATOM 598 CB ALA A 43 -2.591 -2.678 -15.363 1.00 0.00 C ATOM 0 H ALA A 43 -1.462 -3.617 -13.392 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.588 -1.809 -13.680 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.283 -2.261 -16.094 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.726 -2.022 -15.266 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.263 -3.663 -15.695 1.00 0.00 H new ATOM 604 N ALA A 44 -4.364 -4.970 -14.169 1.00 0.00 N ATOM 605 CA ALA A 44 -5.485 -5.895 -14.289 1.00 0.00 C ATOM 606 C ALA A 44 -6.491 -5.686 -13.162 1.00 0.00 C ATOM 607 O ALA A 44 -7.650 -6.084 -13.270 1.00 0.00 O ATOM 608 CB ALA A 44 -4.985 -7.332 -14.293 1.00 0.00 C ATOM 0 H ALA A 44 -3.451 -5.420 -14.105 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.990 -5.695 -15.234 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.832 -8.012 -14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.310 -7.480 -15.136 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.454 -7.535 -13.363 1.00 0.00 H new ATOM 614 N ALA A 45 -6.039 -5.060 -12.080 1.00 0.00 N ATOM 615 CA ALA A 45 -6.901 -4.798 -10.934 1.00 0.00 C ATOM 616 C ALA A 45 -7.584 -3.441 -11.059 1.00 0.00 C ATOM 617 O ALA A 45 -8.106 -2.905 -10.083 1.00 0.00 O ATOM 618 CB ALA A 45 -6.098 -4.870 -9.643 1.00 0.00 C ATOM 0 H ALA A 45 -5.081 -4.725 -11.973 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.676 -5.564 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.754 -4.672 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.662 -5.864 -9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.302 -4.125 -9.667 1.00 0.00 H new ATOM 624 N ASN A 46 -7.576 -2.889 -12.269 1.00 0.00 N ATOM 625 CA ASN A 46 -8.194 -1.593 -12.522 1.00 0.00 C ATOM 626 C ASN A 46 -7.457 -0.484 -11.776 1.00 0.00 C ATOM 627 O ASN A 46 -8.073 0.456 -11.273 1.00 0.00 O ATOM 628 CB ASN A 46 -9.665 -1.615 -12.101 1.00 0.00 C ATOM 629 CG ASN A 46 -10.355 -2.911 -12.480 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.726 -3.706 -11.616 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.530 -3.130 -13.778 1.00 0.00 N ATOM 0 H ASN A 46 -7.148 -3.319 -13.089 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.132 -1.391 -13.591 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.734 -1.472 -11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.186 -0.779 -12.567 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.988 -3.985 -14.094 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.206 -2.443 -14.459 1.00 0.00 H new ATOM 638 N LEU A 47 -6.136 -0.600 -11.710 1.00 0.00 N ATOM 639 CA LEU A 47 -5.313 0.392 -11.027 1.00 0.00 C ATOM 640 C LEU A 47 -4.734 1.395 -12.020 1.00 0.00 C ATOM 641 O LEU A 47 -4.348 1.032 -13.132 1.00 0.00 O ATOM 642 CB LEU A 47 -4.182 -0.294 -10.260 1.00 0.00 C ATOM 643 CG LEU A 47 -4.609 -1.336 -9.225 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.400 -2.099 -8.706 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.358 -0.674 -8.078 1.00 0.00 C ATOM 0 H LEU A 47 -5.611 -1.372 -12.121 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.947 0.930 -10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.521 -0.776 -10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.596 0.473 -9.754 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.281 -2.046 -9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.723 -2.836 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.906 -2.606 -9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.703 -1.403 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.654 -1.431 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.711 0.059 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.247 -0.175 -8.464 1.00 0.00 H new ATOM 657 N CYS A 48 -4.674 2.658 -11.610 1.00 0.00 N ATOM 658 CA CYS A 48 -4.140 3.714 -12.463 1.00 0.00 C ATOM 659 C CYS A 48 -3.459 4.794 -11.629 1.00 0.00 C ATOM 660 O CYS A 48 -3.900 5.135 -10.531 1.00 0.00 O ATOM 661 CB CYS A 48 -5.257 4.331 -13.305 1.00 0.00 C ATOM 662 SG CYS A 48 -5.547 3.490 -14.879 1.00 0.00 S ATOM 0 H CYS A 48 -4.988 2.975 -10.693 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.397 3.271 -13.127 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.180 4.323 -12.726 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.014 5.375 -13.503 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.190 2.244 -14.778 1.00 0.00 H new ATOM 668 N PRO A 49 -2.357 5.344 -12.159 1.00 0.00 N ATOM 669 CA PRO A 49 -1.590 6.392 -11.480 1.00 0.00 C ATOM 670 C PRO A 49 -2.343 7.717 -11.424 1.00 0.00 C ATOM 671 O PRO A 49 -2.300 8.507 -12.366 1.00 0.00 O ATOM 672 CB PRO A 49 -0.333 6.528 -12.343 1.00 0.00 C ATOM 673 CG PRO A 49 -0.749 6.061 -13.694 1.00 0.00 C ATOM 674 CD PRO A 49 -1.774 4.985 -13.463 1.00 0.00 C ATOM 0 HA PRO A 49 -1.384 6.137 -10.440 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.018 7.560 -12.371 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.485 5.924 -11.950 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.168 6.880 -14.278 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.103 5.675 -14.253 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.528 4.972 -14.250 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.319 3.995 -13.441 1.00 0.00 H new ATOM 682 N GLY A 50 -3.033 7.954 -10.312 1.00 0.00 N ATOM 683 CA GLY A 50 -3.785 9.185 -10.154 1.00 0.00 C ATOM 684 C GLY A 50 -4.854 9.078 -9.084 1.00 0.00 C ATOM 685 O GLY A 50 -5.304 10.088 -8.544 1.00 0.00 O ATOM 0 H GLY A 50 -3.084 7.315 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.101 9.995 -9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.251 9.447 -11.104 1.00 0.00 H new ATOM 689 N ASP A 51 -5.263 7.851 -8.780 1.00 0.00 N ATOM 690 CA ASP A 51 -6.287 7.615 -7.769 1.00 0.00 C ATOM 691 C ASP A 51 -5.725 7.830 -6.366 1.00 0.00 C ATOM 692 O ASP A 51 -4.515 7.759 -6.154 1.00 0.00 O ATOM 693 CB ASP A 51 -6.843 6.196 -7.897 1.00 0.00 C ATOM 694 CG ASP A 51 -8.026 6.121 -8.842 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.780 7.113 -8.928 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.199 5.070 -9.494 1.00 0.00 O ATOM 0 H ASP A 51 -4.901 7.005 -9.219 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.094 8.329 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.056 5.531 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.144 5.837 -6.913 1.00 0.00 H new ATOM 701 N VAL A 52 -6.613 8.094 -5.413 1.00 0.00 N ATOM 702 CA VAL A 52 -6.207 8.319 -4.031 1.00 0.00 C ATOM 703 C VAL A 52 -6.477 7.090 -3.171 1.00 0.00 C ATOM 704 O VAL A 52 -7.478 6.397 -3.359 1.00 0.00 O ATOM 705 CB VAL A 52 -6.938 9.530 -3.421 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.432 9.806 -2.014 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.770 10.755 -4.307 1.00 0.00 C ATOM 0 H VAL A 52 -7.618 8.157 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.136 8.520 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.001 9.298 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.960 10.665 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.609 8.933 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.363 10.018 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.293 11.601 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.710 10.992 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.186 10.550 -5.293 1.00 0.00 H new ATOM 717 N ILE A 53 -5.580 6.826 -2.228 1.00 0.00 N ATOM 718 CA ILE A 53 -5.723 5.681 -1.337 1.00 0.00 C ATOM 719 C ILE A 53 -6.292 6.102 0.013 1.00 0.00 C ATOM 720 O ILE A 53 -5.550 6.476 0.923 1.00 0.00 O ATOM 721 CB ILE A 53 -4.375 4.969 -1.115 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.626 4.823 -2.440 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.595 3.608 -0.472 1.00 0.00 C ATOM 724 CD1 ILE A 53 -4.093 3.649 -3.273 1.00 0.00 C ATOM 0 H ILE A 53 -4.746 7.389 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.414 4.990 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.768 5.574 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.746 5.739 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.561 4.712 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.634 3.117 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.092 3.736 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.218 2.994 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.518 3.607 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.947 2.725 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.151 3.768 -3.508 1.00 0.00 H new ATOM 736 N LEU A 54 -7.613 6.038 0.138 1.00 0.00 N ATOM 737 CA LEU A 54 -8.283 6.411 1.380 1.00 0.00 C ATOM 738 C LEU A 54 -7.722 5.623 2.559 1.00 0.00 C ATOM 739 O LEU A 54 -7.560 6.159 3.655 1.00 0.00 O ATOM 740 CB LEU A 54 -9.789 6.171 1.261 1.00 0.00 C ATOM 741 CG LEU A 54 -10.556 7.146 0.368 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.933 6.595 0.035 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.673 8.507 1.041 1.00 0.00 C ATOM 0 H LEU A 54 -8.241 5.732 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.103 7.471 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.947 5.161 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.222 6.207 2.260 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.002 7.269 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.464 7.303 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.828 5.645 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.496 6.442 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.222 9.188 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.204 8.401 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.677 8.907 1.228 1.00 0.00 H new ATOM 755 N ALA A 55 -7.425 4.349 2.326 1.00 0.00 N ATOM 756 CA ALA A 55 -6.878 3.489 3.368 1.00 0.00 C ATOM 757 C ALA A 55 -5.963 2.423 2.775 1.00 0.00 C ATOM 758 O ALA A 55 -6.120 2.030 1.618 1.00 0.00 O ATOM 759 CB ALA A 55 -8.002 2.841 4.161 1.00 0.00 C ATOM 0 H ALA A 55 -7.554 3.889 1.425 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.284 4.107 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.579 2.201 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.614 3.615 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.620 2.241 3.493 1.00 0.00 H new ATOM 765 N ILE A 56 -5.008 1.958 3.574 1.00 0.00 N ATOM 766 CA ILE A 56 -4.069 0.937 3.127 1.00 0.00 C ATOM 767 C ILE A 56 -4.087 -0.271 4.058 1.00 0.00 C ATOM 768 O ILE A 56 -3.688 -0.179 5.219 1.00 0.00 O ATOM 769 CB ILE A 56 -2.633 1.488 3.048 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.556 2.627 2.028 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.659 0.378 2.685 1.00 0.00 C ATOM 772 CD1 ILE A 56 -1.205 3.305 1.980 1.00 0.00 C ATOM 0 H ILE A 56 -4.865 2.272 4.534 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.387 0.630 2.130 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.356 1.882 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.792 2.235 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.318 3.369 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.648 0.783 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.698 -0.403 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.931 -0.043 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.224 4.101 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.975 3.728 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.441 2.575 1.711 1.00 0.00 H new ATOM 784 N ASP A 57 -4.551 -1.403 3.540 1.00 0.00 N ATOM 785 CA ASP A 57 -4.618 -2.631 4.323 1.00 0.00 C ATOM 786 C ASP A 57 -5.395 -2.408 5.617 1.00 0.00 C ATOM 787 O ASP A 57 -5.000 -2.885 6.680 1.00 0.00 O ATOM 788 CB ASP A 57 -3.210 -3.137 4.640 1.00 0.00 C ATOM 789 CG ASP A 57 -3.213 -4.549 5.192 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.144 -5.314 4.863 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.283 -4.890 5.953 1.00 0.00 O ATOM 0 H ASP A 57 -4.886 -1.495 2.581 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.140 -3.382 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.603 -3.105 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.741 -2.469 5.362 1.00 0.00 H new ATOM 796 N GLY A 58 -6.502 -1.679 5.519 1.00 0.00 N ATOM 797 CA GLY A 58 -7.316 -1.404 6.689 1.00 0.00 C ATOM 798 C GLY A 58 -6.673 -0.393 7.618 1.00 0.00 C ATOM 799 O GLY A 58 -6.819 -0.480 8.837 1.00 0.00 O ATOM 0 H GLY A 58 -6.850 -1.274 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.290 -1.032 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.491 -2.332 7.233 1.00 0.00 H new ATOM 803 N PHE A 59 -5.959 0.568 7.041 1.00 0.00 N ATOM 804 CA PHE A 59 -5.290 1.598 7.826 1.00 0.00 C ATOM 805 C PHE A 59 -5.443 2.967 7.170 1.00 0.00 C ATOM 806 O PHE A 59 -4.834 3.245 6.138 1.00 0.00 O ATOM 807 CB PHE A 59 -3.806 1.262 7.989 1.00 0.00 C ATOM 808 CG PHE A 59 -3.555 0.063 8.858 1.00 0.00 C ATOM 809 CD1 PHE A 59 -3.588 0.172 10.239 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.288 -1.174 8.294 1.00 0.00 C ATOM 811 CE1 PHE A 59 -3.357 -0.930 11.040 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.056 -2.280 9.091 1.00 0.00 C ATOM 813 CZ PHE A 59 -3.092 -2.157 10.466 1.00 0.00 C ATOM 0 H PHE A 59 -5.829 0.655 6.033 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.758 1.631 8.810 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.372 1.085 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.291 2.123 8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.797 1.129 10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.261 -1.276 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.384 -0.831 12.115 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.847 -3.238 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.913 -3.019 11.091 1.00 0.00 H new ATOM 823 N GLY A 60 -6.263 3.820 7.777 1.00 0.00 N ATOM 824 CA GLY A 60 -6.483 5.149 7.238 1.00 0.00 C ATOM 825 C GLY A 60 -5.187 5.887 6.968 1.00 0.00 C ATOM 826 O GLY A 60 -4.245 5.814 7.758 1.00 0.00 O ATOM 0 H GLY A 60 -6.779 3.614 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.054 5.072 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.087 5.726 7.938 1.00 0.00 H new ATOM 830 N THR A 61 -5.136 6.601 5.847 1.00 0.00 N ATOM 831 CA THR A 61 -3.945 7.353 5.474 1.00 0.00 C ATOM 832 C THR A 61 -4.055 8.809 5.911 1.00 0.00 C ATOM 833 O THR A 61 -3.450 9.694 5.307 1.00 0.00 O ATOM 834 CB THR A 61 -3.703 7.302 3.953 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.742 8.009 3.267 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.651 5.863 3.462 1.00 0.00 C ATOM 0 H THR A 61 -5.906 6.674 5.182 1.00 0.00 H new ATOM 0 HA THR A 61 -3.103 6.886 5.985 1.00 0.00 H new ATOM 0 HB THR A 61 -2.744 7.776 3.744 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.018 7.499 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.479 5.852 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.840 5.336 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.597 5.369 3.684 1.00 0.00 H new ATOM 844 N GLU A 62 -4.831 9.049 6.963 1.00 0.00 N ATOM 845 CA GLU A 62 -5.019 10.400 7.480 1.00 0.00 C ATOM 846 C GLU A 62 -3.684 11.021 7.879 1.00 0.00 C ATOM 847 O GLU A 62 -3.332 12.109 7.424 1.00 0.00 O ATOM 848 CB GLU A 62 -5.966 10.383 8.682 1.00 0.00 C ATOM 849 CG GLU A 62 -5.572 9.379 9.752 1.00 0.00 C ATOM 850 CD GLU A 62 -4.633 9.968 10.788 1.00 0.00 C ATOM 851 OE1 GLU A 62 -4.313 11.171 10.681 1.00 0.00 O ATOM 852 OE2 GLU A 62 -4.219 9.228 11.704 1.00 0.00 O ATOM 0 H GLU A 62 -5.339 8.327 7.474 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.459 11.006 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.997 11.379 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.975 10.156 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.470 9.012 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.094 8.520 9.281 1.00 0.00 H new ATOM 859 N SER A 63 -2.944 10.321 8.733 1.00 0.00 N ATOM 860 CA SER A 63 -1.649 10.804 9.197 1.00 0.00 C ATOM 861 C SER A 63 -0.531 9.856 8.774 1.00 0.00 C ATOM 862 O SER A 63 0.470 9.707 9.474 1.00 0.00 O ATOM 863 CB SER A 63 -1.654 10.957 10.720 1.00 0.00 C ATOM 864 OG SER A 63 -2.082 12.253 11.101 1.00 0.00 O ATOM 0 H SER A 63 -3.219 9.417 9.118 1.00 0.00 H new ATOM 0 HA SER A 63 -1.468 11.777 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.312 10.209 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.653 10.772 11.111 1.00 0.00 H new ATOM 0 HG SER A 63 -3.012 12.386 10.821 1.00 0.00 H new ATOM 870 N MET A 64 -0.710 9.218 7.622 1.00 0.00 N ATOM 871 CA MET A 64 0.283 8.285 7.103 1.00 0.00 C ATOM 872 C MET A 64 1.279 9.000 6.195 1.00 0.00 C ATOM 873 O MET A 64 0.911 9.524 5.143 1.00 0.00 O ATOM 874 CB MET A 64 -0.401 7.152 6.336 1.00 0.00 C ATOM 875 CG MET A 64 0.474 6.532 5.259 1.00 0.00 C ATOM 876 SD MET A 64 -0.328 5.150 4.423 1.00 0.00 S ATOM 877 CE MET A 64 -0.885 4.184 5.824 1.00 0.00 C ATOM 0 H MET A 64 -1.533 9.330 7.030 1.00 0.00 H new ATOM 0 HA MET A 64 0.826 7.865 7.949 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.700 6.376 7.041 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.313 7.534 5.877 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.734 7.294 4.525 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.407 6.189 5.707 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.988 3.140 5.528 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.158 4.262 6.632 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.849 4.561 6.166 1.00 0.00 H new ATOM 887 N THR A 65 2.542 9.019 6.608 1.00 0.00 N ATOM 888 CA THR A 65 3.590 9.671 5.833 1.00 0.00 C ATOM 889 C THR A 65 4.003 8.818 4.639 1.00 0.00 C ATOM 890 O THR A 65 3.814 7.601 4.638 1.00 0.00 O ATOM 891 CB THR A 65 4.832 9.959 6.698 1.00 0.00 C ATOM 892 OG1 THR A 65 5.251 8.764 7.367 1.00 0.00 O ATOM 893 CG2 THR A 65 4.538 11.044 7.723 1.00 0.00 C ATOM 0 H THR A 65 2.864 8.590 7.476 1.00 0.00 H new ATOM 0 HA THR A 65 3.178 10.615 5.476 1.00 0.00 H new ATOM 0 HB THR A 65 5.631 10.307 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.042 8.955 7.913 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.430 11.230 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.248 11.961 7.209 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.725 10.720 8.373 1.00 0.00 H new ATOM 901 N HIS A 66 4.568 9.463 3.624 1.00 0.00 N ATOM 902 CA HIS A 66 5.010 8.762 2.423 1.00 0.00 C ATOM 903 C HIS A 66 5.724 7.463 2.784 1.00 0.00 C ATOM 904 O HIS A 66 5.392 6.396 2.268 1.00 0.00 O ATOM 905 CB HIS A 66 5.936 9.654 1.597 1.00 0.00 C ATOM 906 CG HIS A 66 6.209 9.125 0.223 1.00 0.00 C ATOM 907 ND1 HIS A 66 7.354 8.676 -0.342 1.00 0.00 N flip ATOM 908 CD2 HIS A 66 5.236 9.016 -0.748 1.00 0.00 C flip ATOM 909 CE1 HIS A 66 7.054 8.306 -1.630 1.00 0.00 C flip ATOM 910 NE2 HIS A 66 5.770 8.520 -1.850 1.00 0.00 N flip ATOM 0 H HIS A 66 4.731 10.470 3.609 1.00 0.00 H new ATOM 0 HA HIS A 66 4.129 8.519 1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.492 10.646 1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.881 9.771 2.127 1.00 0.00 H new ATOM 0 HD1 HIS A 66 8.269 8.622 0.105 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.199 9.293 -0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.755 7.905 -2.347 1.00 0.00 H new ATOM 919 N ALA A 67 6.707 7.561 3.673 1.00 0.00 N ATOM 920 CA ALA A 67 7.467 6.394 4.104 1.00 0.00 C ATOM 921 C ALA A 67 6.563 5.368 4.778 1.00 0.00 C ATOM 922 O ALA A 67 6.556 4.194 4.407 1.00 0.00 O ATOM 923 CB ALA A 67 8.587 6.812 5.045 1.00 0.00 C ATOM 0 H ALA A 67 6.996 8.437 4.109 1.00 0.00 H new ATOM 0 HA ALA A 67 7.904 5.929 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.146 5.931 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.256 7.502 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.162 7.303 5.921 1.00 0.00 H new ATOM 929 N ASP A 68 5.801 5.818 5.769 1.00 0.00 N ATOM 930 CA ASP A 68 4.892 4.938 6.494 1.00 0.00 C ATOM 931 C ASP A 68 4.097 4.063 5.530 1.00 0.00 C ATOM 932 O ASP A 68 4.018 2.847 5.701 1.00 0.00 O ATOM 933 CB ASP A 68 3.937 5.759 7.362 1.00 0.00 C ATOM 934 CG ASP A 68 3.525 5.026 8.623 1.00 0.00 C ATOM 935 OD1 ASP A 68 3.239 3.813 8.538 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.489 5.665 9.695 1.00 0.00 O ATOM 0 H ASP A 68 5.795 6.787 6.088 1.00 0.00 H new ATOM 0 HA ASP A 68 5.489 4.290 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.415 6.700 7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.048 6.008 6.783 1.00 0.00 H new ATOM 941 N ALA A 69 3.510 4.691 4.516 1.00 0.00 N ATOM 942 CA ALA A 69 2.722 3.969 3.524 1.00 0.00 C ATOM 943 C ALA A 69 3.528 2.833 2.905 1.00 0.00 C ATOM 944 O ALA A 69 3.052 1.701 2.813 1.00 0.00 O ATOM 945 CB ALA A 69 2.233 4.923 2.444 1.00 0.00 C ATOM 0 H ALA A 69 3.565 5.697 4.360 1.00 0.00 H new ATOM 0 HA ALA A 69 1.858 3.534 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.646 4.371 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.613 5.697 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.089 5.385 1.952 1.00 0.00 H new ATOM 951 N GLN A 70 4.749 3.142 2.480 1.00 0.00 N ATOM 952 CA GLN A 70 5.619 2.145 1.868 1.00 0.00 C ATOM 953 C GLN A 70 5.861 0.976 2.817 1.00 0.00 C ATOM 954 O GLN A 70 5.944 -0.176 2.391 1.00 0.00 O ATOM 955 CB GLN A 70 6.953 2.778 1.469 1.00 0.00 C ATOM 956 CG GLN A 70 6.812 4.164 0.860 1.00 0.00 C ATOM 957 CD GLN A 70 7.887 4.463 -0.166 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.508 4.461 -1.439 1.00 0.00 O flip ATOM 959 NE2 GLN A 70 9.046 4.693 0.181 1.00 0.00 N flip ATOM 0 H GLN A 70 5.158 4.074 2.548 1.00 0.00 H new ATOM 0 HA GLN A 70 5.123 1.766 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.593 2.840 2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.456 2.126 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.832 4.252 0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.854 4.911 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.293 4.684 1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.759 4.892 -0.521 1.00 0.00 H new ATOM 968 N ASP A 71 5.972 1.280 4.105 1.00 0.00 N ATOM 969 CA ASP A 71 6.204 0.255 5.116 1.00 0.00 C ATOM 970 C ASP A 71 4.937 -0.557 5.367 1.00 0.00 C ATOM 971 O ASP A 71 4.975 -1.600 6.019 1.00 0.00 O ATOM 972 CB ASP A 71 6.682 0.893 6.421 1.00 0.00 C ATOM 973 CG ASP A 71 7.585 -0.027 7.219 1.00 0.00 C ATOM 974 OD1 ASP A 71 7.145 -1.147 7.552 1.00 0.00 O ATOM 975 OD2 ASP A 71 8.732 0.373 7.510 1.00 0.00 O ATOM 0 H ASP A 71 5.905 2.229 4.474 1.00 0.00 H new ATOM 0 HA ASP A 71 6.978 -0.417 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.216 1.816 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.818 1.164 7.027 1.00 0.00 H new ATOM 980 N ARG A 72 3.816 -0.070 4.845 1.00 0.00 N ATOM 981 CA ARG A 72 2.536 -0.749 5.014 1.00 0.00 C ATOM 982 C ARG A 72 2.247 -1.666 3.830 1.00 0.00 C ATOM 983 O ARG A 72 1.656 -2.735 3.989 1.00 0.00 O ATOM 984 CB ARG A 72 1.409 0.273 5.169 1.00 0.00 C ATOM 985 CG ARG A 72 1.260 0.806 6.585 1.00 0.00 C ATOM 986 CD ARG A 72 0.293 -0.040 7.399 1.00 0.00 C ATOM 987 NE ARG A 72 -0.056 0.596 8.667 1.00 0.00 N ATOM 988 CZ ARG A 72 0.732 0.586 9.736 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.908 -0.024 9.691 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.343 1.187 10.853 1.00 0.00 N ATOM 0 H ARG A 72 3.768 0.792 4.302 1.00 0.00 H new ATOM 0 HA ARG A 72 2.592 -1.357 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.592 1.108 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.469 -0.186 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.234 0.820 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.905 1.836 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.613 -0.214 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.739 -1.015 7.593 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.954 1.074 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.210 -0.487 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.511 -0.030 10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.562 1.657 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.948 1.179 11.674 1.00 0.00 H new ATOM 1004 N ILE A 73 2.666 -1.241 2.643 1.00 0.00 N ATOM 1005 CA ILE A 73 2.452 -2.024 1.432 1.00 0.00 C ATOM 1006 C ILE A 73 3.417 -3.203 1.362 1.00 0.00 C ATOM 1007 O ILE A 73 3.055 -4.290 0.912 1.00 0.00 O ATOM 1008 CB ILE A 73 2.620 -1.162 0.167 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.526 -0.094 0.102 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.589 -2.036 -1.078 1.00 0.00 C ATOM 1011 CD1 ILE A 73 1.843 1.038 -0.849 1.00 0.00 C ATOM 0 H ILE A 73 3.156 -0.359 2.494 1.00 0.00 H new ATOM 0 HA ILE A 73 1.429 -2.397 1.474 1.00 0.00 H new ATOM 0 HB ILE A 73 3.588 -0.662 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.590 -0.562 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.368 0.314 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.709 -1.412 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.401 -2.762 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.635 -2.561 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.024 1.758 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.762 1.532 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.972 0.642 -1.856 1.00 0.00 H new ATOM 1023 N LYS A 74 4.648 -2.980 1.811 1.00 0.00 N ATOM 1024 CA LYS A 74 5.666 -4.024 1.804 1.00 0.00 C ATOM 1025 C LYS A 74 5.386 -5.065 2.883 1.00 0.00 C ATOM 1026 O LYS A 74 5.696 -6.244 2.716 1.00 0.00 O ATOM 1027 CB LYS A 74 7.053 -3.413 2.016 1.00 0.00 C ATOM 1028 CG LYS A 74 7.341 -3.045 3.461 1.00 0.00 C ATOM 1029 CD LYS A 74 8.828 -2.844 3.700 1.00 0.00 C ATOM 1030 CE LYS A 74 9.148 -2.760 5.185 1.00 0.00 C ATOM 1031 NZ LYS A 74 8.730 -3.991 5.912 1.00 0.00 N ATOM 0 H LYS A 74 4.965 -2.085 2.184 1.00 0.00 H new ATOM 0 HA LYS A 74 5.638 -4.518 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.808 -4.120 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.146 -2.521 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.804 -2.132 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.969 -3.831 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.384 -3.668 3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.157 -1.931 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.219 -2.606 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.645 -1.895 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.381 -4.164 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.764 -3.867 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.753 -4.803 5.262 1.00 0.00 H new ATOM 1045 N ALA A 75 4.798 -4.621 3.989 1.00 0.00 N ATOM 1046 CA ALA A 75 4.474 -5.515 5.093 1.00 0.00 C ATOM 1047 C ALA A 75 3.045 -6.034 4.978 1.00 0.00 C ATOM 1048 O ALA A 75 2.484 -6.554 5.942 1.00 0.00 O ATOM 1049 CB ALA A 75 4.674 -4.804 6.424 1.00 0.00 C ATOM 0 H ALA A 75 4.536 -3.647 4.144 1.00 0.00 H new ATOM 0 HA ALA A 75 5.148 -6.370 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.428 -5.484 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.713 -4.488 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.024 -3.930 6.471 1.00 0.00 H new ATOM 1055 N ALA A 76 2.461 -5.889 3.793 1.00 0.00 N ATOM 1056 CA ALA A 76 1.098 -6.345 3.552 1.00 0.00 C ATOM 1057 C ALA A 76 0.992 -7.859 3.694 1.00 0.00 C ATOM 1058 O ALA A 76 1.962 -8.528 4.052 1.00 0.00 O ATOM 1059 CB ALA A 76 0.632 -5.909 2.170 1.00 0.00 C ATOM 0 H ALA A 76 2.911 -5.459 2.985 1.00 0.00 H new ATOM 0 HA ALA A 76 0.451 -5.890 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.388 -6.256 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.660 -4.821 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.289 -6.337 1.413 1.00 0.00 H new ATOM 1065 N SER A 77 -0.192 -8.394 3.414 1.00 0.00 N ATOM 1066 CA SER A 77 -0.426 -9.830 3.515 1.00 0.00 C ATOM 1067 C SER A 77 -0.672 -10.439 2.139 1.00 0.00 C ATOM 1068 O SER A 77 -0.683 -9.735 1.129 1.00 0.00 O ATOM 1069 CB SER A 77 -1.620 -10.110 4.430 1.00 0.00 C ATOM 1070 OG SER A 77 -1.566 -11.427 4.950 1.00 0.00 O ATOM 0 H SER A 77 -1.004 -7.855 3.115 1.00 0.00 H new ATOM 0 HA SER A 77 0.466 -10.289 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.630 -9.392 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.548 -9.973 3.875 1.00 0.00 H new ATOM 0 HG SER A 77 -2.210 -11.993 4.476 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.868 -11.752 2.106 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.111 -12.459 0.854 1.00 0.00 C ATOM 1078 C TYR A 78 -1.990 -11.630 -0.077 1.00 0.00 C ATOM 1079 O TYR A 78 -1.919 -11.764 -1.298 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.770 -13.811 1.127 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.803 -13.770 2.231 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -4.121 -13.425 1.964 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -2.459 -14.077 3.542 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -5.067 -13.385 2.970 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -3.398 -14.042 4.554 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.701 -13.695 4.263 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.641 -13.658 5.267 1.00 0.00 O ATOM 0 H TYR A 78 -0.863 -12.349 2.933 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.150 -12.623 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.243 -14.167 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.999 -14.535 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.412 -13.184 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.439 -14.348 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.088 -13.112 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.114 -14.285 5.567 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.221 -13.904 6.118 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.819 -10.772 0.511 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.713 -9.921 -0.265 1.00 0.00 C ATOM 1099 C GLN A 79 -3.731 -8.501 0.291 1.00 0.00 C ATOM 1100 O GLN A 79 -4.075 -8.282 1.453 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.129 -10.499 -0.267 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.733 -10.630 1.122 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.081 -11.324 1.108 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.167 -12.535 0.906 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -8.144 -10.557 1.324 1.00 0.00 N ATOM 0 H GLN A 79 -2.890 -10.648 1.521 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.342 -9.886 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.772 -9.863 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.112 -11.480 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.048 -11.187 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.843 -9.639 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.027 -9.557 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.077 -10.968 1.327 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.359 -7.538 -0.546 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.333 -6.138 -0.138 1.00 0.00 C ATOM 1116 C LEU A 80 -4.670 -5.462 -0.424 1.00 0.00 C ATOM 1117 O LEU A 80 -5.066 -5.311 -1.580 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.208 -5.396 -0.863 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.160 -3.882 -0.655 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.814 -3.552 0.789 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.156 -3.245 -1.605 1.00 0.00 C ATOM 0 H LEU A 80 -3.071 -7.701 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.151 -6.102 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.256 -5.817 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.299 -5.593 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.147 -3.473 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.784 -2.470 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.570 -3.976 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.839 -3.973 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.135 -2.167 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.165 -3.659 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.448 -3.452 -2.635 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.360 -5.056 0.636 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.653 -4.394 0.499 1.00 0.00 C ATOM 1135 C CYS A 81 -6.500 -2.879 0.582 1.00 0.00 C ATOM 1136 O CYS A 81 -6.001 -2.348 1.575 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.616 -4.881 1.583 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.532 -6.376 1.139 1.00 0.00 S ATOM 0 H CYS A 81 -5.046 -5.173 1.599 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.061 -4.647 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.052 -5.071 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.327 -4.085 1.807 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.318 -6.711 2.119 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.930 -2.188 -0.468 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.839 -0.733 -0.516 1.00 0.00 C ATOM 1146 C LEU A 82 -8.155 -0.121 -0.986 1.00 0.00 C ATOM 1147 O LEU A 82 -8.866 -0.703 -1.805 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.703 -0.304 -1.445 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.309 -0.821 -1.086 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.472 -1.015 -2.340 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.618 0.133 -0.123 1.00 0.00 C ATOM 0 H LEU A 82 -7.345 -2.612 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.631 -0.373 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.942 -0.636 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.670 0.785 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.417 -1.787 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.484 -1.383 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.959 -1.738 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.372 -0.063 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.628 -0.251 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.522 1.114 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.208 0.220 0.789 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.472 1.059 -0.463 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.700 1.754 -0.831 1.00 0.00 C ATOM 1165 C LYS A 83 -9.391 3.033 -1.602 1.00 0.00 C ATOM 1166 O LYS A 83 -8.370 3.679 -1.367 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.517 2.084 0.420 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.697 3.002 0.151 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.634 3.070 1.345 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.740 2.031 1.246 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.701 2.133 2.379 1.00 0.00 N ATOM 0 H LYS A 83 -7.895 1.554 0.217 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.283 1.095 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.882 1.156 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.864 2.552 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.334 4.002 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.244 2.647 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.067 2.913 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.073 4.066 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.274 2.158 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.301 1.034 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.439 1.408 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.196 1.987 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.140 3.076 2.378 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.281 3.393 -2.521 1.00 0.00 N ATOM 1186 CA ILE A 84 -10.104 4.597 -3.324 1.00 0.00 C ATOM 1187 C ILE A 84 -11.282 5.550 -3.154 1.00 0.00 C ATOM 1188 O ILE A 84 -12.407 5.122 -2.893 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.944 4.258 -4.818 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -11.024 3.268 -5.257 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.557 3.693 -5.087 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.297 3.292 -6.745 1.00 0.00 C ATOM 0 H ILE A 84 -11.131 2.869 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.194 5.082 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.060 5.173 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.722 2.261 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.948 3.490 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.459 3.458 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.804 4.429 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.413 2.786 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.073 2.565 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.630 4.288 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.385 3.040 -7.286 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.017 6.842 -3.305 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.056 7.857 -3.170 1.00 0.00 C ATOM 1206 C ASP A 85 -12.703 8.153 -4.519 1.00 0.00 C ATOM 1207 O ASP A 85 -13.867 8.551 -4.587 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.471 9.141 -2.578 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.534 10.185 -2.299 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.095 10.736 -3.270 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.806 10.452 -1.110 1.00 0.00 O ATOM 0 H ASP A 85 -10.091 7.212 -3.521 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.821 7.472 -2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.946 8.905 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.733 9.552 -3.267 1.00 0.00 H new ATOM 1216 N ARG A 86 -11.942 7.958 -5.591 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.441 8.206 -6.938 1.00 0.00 C ATOM 1218 C ARG A 86 -13.000 9.621 -7.059 1.00 0.00 C ATOM 1219 O ARG A 86 -14.142 9.815 -7.473 1.00 0.00 O ATOM 1220 CB ARG A 86 -13.523 7.187 -7.300 1.00 0.00 C ATOM 1221 CG ARG A 86 -12.980 5.931 -7.962 1.00 0.00 C ATOM 1222 CD ARG A 86 -12.586 6.189 -9.407 1.00 0.00 C ATOM 1223 NE ARG A 86 -13.695 5.956 -10.328 1.00 0.00 N ATOM 1224 CZ ARG A 86 -13.729 6.421 -11.572 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -12.719 7.140 -12.041 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -14.774 6.166 -12.349 1.00 0.00 N ATOM 0 H ARG A 86 -10.977 7.629 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.607 8.102 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.063 6.906 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.244 7.657 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.114 5.571 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.733 5.144 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.240 7.217 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.750 5.543 -9.675 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.488 5.406 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.914 7.337 -11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.747 7.496 -12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.552 5.612 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.799 6.524 -13.304 1.00 0.00 H new