USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 128:sc= 1.05 USER MOD Set 1.2: A 109 GLN : amide:sc= -1.26 K(o=-0.22,f=-3.7!) USER MOD Set 2.1: A 46 SER OG : rot 80:sc= 0.193 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -0.857 X(o=-0.66,f=-1.1) USER MOD Set 3.1: A 38 SER OG : rot -75:sc= 1.12 USER MOD Set 3.2: A 39 GLN : amide:sc= 0.19 K(o=1.3,f=-1.6) USER MOD Set 4.1: A 10 HIS : no HD1:sc= -0.59 K(o=-1.8,f=-6) USER MOD Set 4.2: A 13 MET CE :methyl -168:sc= -1.19 (180deg=-1.12) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0922 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -58:sc= 0.171 USER MOD Single : A 9 TYR OH : rot 165:sc= -0.688 USER MOD Single : A 12 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2) USER MOD Single : A 14 SER OG : rot 180:sc= -0.371 USER MOD Single : A 17 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.8!) USER MOD Single : A 20 THR OG1 : rot 71:sc= 0.159 USER MOD Single : A 23 GLN : amide:sc= -1.46! C(o=-1.5!,f=-2.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -32:sc= -0.749 USER MOD Single : A 51 GLN : amide:sc= -0.0794 K(o=-0.079,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= -0.515 (180deg=-2.2!) USER MOD Single : A 58 SER OG : rot -48:sc= 0.218 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -143:sc= -2.47! (180deg=-3.12!) USER MOD Single : A 69 CYS SG : rot 90:sc= 0.217 USER MOD Single : A 74 TYR OH : rot -63:sc= -0.688! USER MOD Single : A 75 THR OG1 : rot 146:sc= 1.11 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -35:sc= 0.00112 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.498 F(o=-1.2,f=-0.5) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 0.0702 (180deg=0.0124) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -87:sc= 0.975 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00154 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 63:sc= -0.266 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 24:sc= 0.0166 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 143:sc= -0.0192 (180deg=-0.244) USER MOD Single : B 3 ASN : amide:sc= -2.33! C(o=-2.3!,f=-4.6!) USER MOD Single : B 4 GLN : amide:sc= -2.26! C(o=-2.3!,f=-2.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN :FLIP amide:sc= -2.03! C(o=-4.7!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.514 -7.558 -25.327 1.00 0.00 N ATOM 2 CA GLY A 1 12.002 -8.718 -24.601 1.00 0.00 C ATOM 3 C GLY A 1 10.888 -9.484 -23.917 1.00 0.00 C ATOM 4 O GLY A 1 9.709 -9.244 -24.177 1.00 0.00 O ATOM 0 H1 GLY A 1 11.925 -7.548 -26.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.477 -7.603 -25.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.789 -6.691 -24.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.525 -9.381 -25.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.729 -8.397 -23.855 1.00 0.00 H new ATOM 8 N SER A 2 11.261 -10.411 -23.040 1.00 0.00 N ATOM 9 CA SER A 2 10.285 -11.220 -22.321 1.00 0.00 C ATOM 10 C SER A 2 9.804 -10.501 -21.064 1.00 0.00 C ATOM 11 O SER A 2 10.433 -9.550 -20.601 1.00 0.00 O ATOM 12 CB SER A 2 10.889 -12.575 -21.948 1.00 0.00 C ATOM 13 OG SER A 2 11.774 -12.453 -20.848 1.00 0.00 O ATOM 0 H SER A 2 12.233 -10.620 -22.811 1.00 0.00 H new ATOM 0 HA SER A 2 9.429 -11.380 -22.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.092 -13.277 -21.702 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.423 -12.987 -22.804 1.00 0.00 H new ATOM 0 HG SER A 2 12.146 -13.333 -20.628 1.00 0.00 H new ATOM 19 N SER A 3 8.683 -10.963 -20.518 1.00 0.00 N ATOM 20 CA SER A 3 8.115 -10.362 -19.317 1.00 0.00 C ATOM 21 C SER A 3 7.342 -11.398 -18.506 1.00 0.00 C ATOM 22 O SER A 3 6.301 -11.890 -18.938 1.00 0.00 O ATOM 23 CB SER A 3 7.194 -9.199 -19.690 1.00 0.00 C ATOM 24 OG SER A 3 7.922 -8.147 -20.299 1.00 0.00 O ATOM 0 H SER A 3 8.151 -11.751 -20.888 1.00 0.00 H new ATOM 0 HA SER A 3 8.935 -9.985 -18.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.418 -9.550 -20.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.691 -8.828 -18.797 1.00 0.00 H new ATOM 0 HG SER A 3 7.311 -7.417 -20.529 1.00 0.00 H new ATOM 30 N GLY A 4 7.861 -11.724 -17.325 1.00 0.00 N ATOM 31 CA GLY A 4 7.207 -12.698 -16.471 1.00 0.00 C ATOM 32 C GLY A 4 6.366 -12.049 -15.390 1.00 0.00 C ATOM 33 O GLY A 4 5.941 -10.903 -15.529 1.00 0.00 O ATOM 0 H GLY A 4 8.722 -11.331 -16.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.575 -13.344 -17.080 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.961 -13.335 -16.008 1.00 0.00 H new ATOM 37 N SER A 5 6.123 -12.786 -14.311 1.00 0.00 N ATOM 38 CA SER A 5 5.321 -12.278 -13.204 1.00 0.00 C ATOM 39 C SER A 5 5.975 -11.049 -12.579 1.00 0.00 C ATOM 40 O SER A 5 6.956 -11.160 -11.844 1.00 0.00 O ATOM 41 CB SER A 5 5.132 -13.364 -12.142 1.00 0.00 C ATOM 42 OG SER A 5 4.338 -14.428 -12.638 1.00 0.00 O ATOM 0 H SER A 5 6.470 -13.736 -14.180 1.00 0.00 H new ATOM 0 HA SER A 5 4.346 -11.990 -13.597 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.104 -13.746 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.660 -12.935 -11.258 1.00 0.00 H new ATOM 0 HG SER A 5 4.233 -15.110 -11.942 1.00 0.00 H new ATOM 48 N SER A 6 5.422 -9.878 -12.876 1.00 0.00 N ATOM 49 CA SER A 6 5.952 -8.627 -12.347 1.00 0.00 C ATOM 50 C SER A 6 5.012 -7.464 -12.655 1.00 0.00 C ATOM 51 O SER A 6 4.320 -7.463 -13.673 1.00 0.00 O ATOM 52 CB SER A 6 7.337 -8.346 -12.935 1.00 0.00 C ATOM 53 OG SER A 6 7.310 -8.398 -14.351 1.00 0.00 O ATOM 0 H SER A 6 4.607 -9.769 -13.480 1.00 0.00 H new ATOM 0 HA SER A 6 6.037 -8.727 -11.265 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.681 -7.364 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.052 -9.076 -12.555 1.00 0.00 H new ATOM 0 HG SER A 6 6.994 -9.280 -14.640 1.00 0.00 H new ATOM 59 N GLY A 7 4.993 -6.476 -11.766 1.00 0.00 N ATOM 60 CA GLY A 7 4.135 -5.321 -11.960 1.00 0.00 C ATOM 61 C GLY A 7 4.333 -4.265 -10.890 1.00 0.00 C ATOM 62 O GLY A 7 5.039 -3.280 -11.104 1.00 0.00 O ATOM 0 H GLY A 7 5.556 -6.454 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.335 -4.884 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.093 -5.642 -11.961 1.00 0.00 H new ATOM 66 N TRP A 8 3.708 -4.471 -9.736 1.00 0.00 N ATOM 67 CA TRP A 8 3.819 -3.527 -8.630 1.00 0.00 C ATOM 68 C TRP A 8 4.424 -4.198 -7.401 1.00 0.00 C ATOM 69 O TRP A 8 4.150 -3.801 -6.268 1.00 0.00 O ATOM 70 CB TRP A 8 2.445 -2.949 -8.286 1.00 0.00 C ATOM 71 CG TRP A 8 1.312 -3.869 -8.628 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.267 -3.605 -9.467 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.109 -5.198 -8.137 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.573 -4.691 -9.527 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.078 -5.681 -8.721 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.816 -6.028 -7.262 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.572 -6.957 -8.456 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.325 -7.293 -7.001 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.141 -7.747 -7.596 1.00 0.00 C ATOM 0 H TRP A 8 3.120 -5.282 -9.542 1.00 0.00 H new ATOM 0 HA TRP A 8 4.479 -2.717 -8.941 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.411 -2.722 -7.220 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.312 -2.007 -8.817 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.122 -2.679 -10.004 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.427 -4.750 -10.082 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.730 -5.687 -6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.485 -7.310 -8.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.863 -7.943 -6.327 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.216 -8.741 -7.371 1.00 0.00 H new ATOM 90 N TYR A 9 5.247 -5.214 -7.632 1.00 0.00 N ATOM 91 CA TYR A 9 5.888 -5.942 -6.543 1.00 0.00 C ATOM 92 C TYR A 9 7.360 -5.556 -6.423 1.00 0.00 C ATOM 93 O TYR A 9 8.125 -5.677 -7.380 1.00 0.00 O ATOM 94 CB TYR A 9 5.762 -7.449 -6.764 1.00 0.00 C ATOM 95 CG TYR A 9 5.817 -8.256 -5.486 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.683 -8.432 -4.702 1.00 0.00 C ATOM 97 CD2 TYR A 9 7.004 -8.839 -5.060 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.730 -9.167 -3.533 1.00 0.00 C ATOM 99 CE2 TYR A 9 7.060 -9.577 -3.894 1.00 0.00 C ATOM 100 CZ TYR A 9 5.921 -9.737 -3.134 1.00 0.00 C ATOM 101 OH TYR A 9 5.973 -10.471 -1.970 1.00 0.00 O ATOM 0 H TYR A 9 5.486 -5.553 -8.564 1.00 0.00 H new ATOM 0 HA TYR A 9 5.383 -5.675 -5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.821 -7.655 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.562 -7.779 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.749 -7.987 -5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.899 -8.713 -5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.840 -9.294 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.990 -10.026 -3.579 1.00 0.00 H new ATOM 0 HH TYR A 9 6.800 -10.997 -1.951 1.00 0.00 H new ATOM 111 N HIS A 10 7.748 -5.090 -5.240 1.00 0.00 N ATOM 112 CA HIS A 10 9.128 -4.688 -4.992 1.00 0.00 C ATOM 113 C HIS A 10 9.902 -5.802 -4.294 1.00 0.00 C ATOM 114 O HIS A 10 10.788 -6.419 -4.884 1.00 0.00 O ATOM 115 CB HIS A 10 9.166 -3.416 -4.145 1.00 0.00 C ATOM 116 CG HIS A 10 8.583 -2.220 -4.833 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.335 -1.128 -5.208 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.314 -1.950 -5.216 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.553 -0.236 -5.791 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.321 -0.711 -5.808 1.00 0.00 N ATOM 0 H HIS A 10 7.127 -4.982 -4.439 1.00 0.00 H new ATOM 0 HA HIS A 10 9.601 -4.489 -5.954 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.623 -3.591 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.200 -3.201 -3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.455 -2.590 -5.081 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.868 0.719 -6.186 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.507 -0.235 -6.197 1.00 0.00 H new ATOM 129 N GLY A 11 9.562 -6.052 -3.033 1.00 0.00 N ATOM 130 CA GLY A 11 10.236 -7.090 -2.275 1.00 0.00 C ATOM 131 C GLY A 11 10.963 -6.544 -1.063 1.00 0.00 C ATOM 132 O GLY A 11 10.346 -5.965 -0.168 1.00 0.00 O ATOM 0 H GLY A 11 8.832 -5.554 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.506 -7.832 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.948 -7.603 -2.921 1.00 0.00 H new ATOM 136 N HIS A 12 12.279 -6.729 -1.031 1.00 0.00 N ATOM 137 CA HIS A 12 13.092 -6.251 0.082 1.00 0.00 C ATOM 138 C HIS A 12 12.850 -4.766 0.332 1.00 0.00 C ATOM 139 O HIS A 12 13.589 -3.915 -0.164 1.00 0.00 O ATOM 140 CB HIS A 12 14.574 -6.498 -0.198 1.00 0.00 C ATOM 141 CG HIS A 12 15.064 -5.844 -1.453 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.780 -6.324 -2.713 1.00 0.00 N ATOM 143 CD2 HIS A 12 15.823 -4.738 -1.636 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.343 -5.544 -3.617 1.00 0.00 C ATOM 145 NE2 HIS A 12 15.982 -4.573 -2.989 1.00 0.00 N ATOM 0 H HIS A 12 12.805 -7.206 -1.763 1.00 0.00 H new ATOM 0 HA HIS A 12 12.802 -6.804 0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.160 -6.132 0.645 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.748 -7.572 -0.266 1.00 0.00 H new ATOM 0 HD2 HIS A 12 16.228 -4.104 -0.861 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.290 -5.677 -4.687 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.508 -3.823 -3.437 1.00 0.00 H new ATOM 154 N MET A 13 11.812 -4.462 1.105 1.00 0.00 N ATOM 155 CA MET A 13 11.474 -3.079 1.420 1.00 0.00 C ATOM 156 C MET A 13 11.028 -2.947 2.873 1.00 0.00 C ATOM 157 O MET A 13 10.365 -3.832 3.411 1.00 0.00 O ATOM 158 CB MET A 13 10.371 -2.575 0.487 1.00 0.00 C ATOM 159 CG MET A 13 10.311 -1.059 0.379 1.00 0.00 C ATOM 160 SD MET A 13 11.398 -0.412 -0.905 1.00 0.00 S ATOM 161 CE MET A 13 10.362 -0.604 -2.353 1.00 0.00 C ATOM 0 H MET A 13 11.191 -5.154 1.524 1.00 0.00 H new ATOM 0 HA MET A 13 12.367 -2.471 1.275 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.526 -2.996 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.409 -2.944 0.843 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.286 -0.754 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.585 -0.619 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 13 10.960 -0.451 -3.251 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.938 -1.608 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.557 0.130 -2.324 1.00 0.00 H new ATOM 171 N SER A 14 11.397 -1.834 3.501 1.00 0.00 N ATOM 172 CA SER A 14 11.037 -1.588 4.893 1.00 0.00 C ATOM 173 C SER A 14 10.004 -0.470 4.999 1.00 0.00 C ATOM 174 O SER A 14 9.857 0.342 4.086 1.00 0.00 O ATOM 175 CB SER A 14 12.282 -1.226 5.707 1.00 0.00 C ATOM 176 OG SER A 14 12.916 -2.389 6.211 1.00 0.00 O ATOM 0 H SER A 14 11.944 -1.090 3.068 1.00 0.00 H new ATOM 0 HA SER A 14 10.600 -2.502 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.980 -0.669 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.003 -0.573 6.534 1.00 0.00 H new ATOM 0 HG SER A 14 13.709 -2.132 6.726 1.00 0.00 H new ATOM 182 N GLY A 15 9.290 -0.436 6.120 1.00 0.00 N ATOM 183 CA GLY A 15 8.280 0.585 6.324 1.00 0.00 C ATOM 184 C GLY A 15 8.787 1.976 5.998 1.00 0.00 C ATOM 185 O GLY A 15 8.426 2.551 4.972 1.00 0.00 O ATOM 0 H GLY A 15 9.393 -1.097 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.413 0.363 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.944 0.558 7.361 1.00 0.00 H new ATOM 189 N GLY A 16 9.625 2.520 6.876 1.00 0.00 N ATOM 190 CA GLY A 16 10.166 3.849 6.659 1.00 0.00 C ATOM 191 C GLY A 16 10.522 4.100 5.206 1.00 0.00 C ATOM 192 O GLY A 16 10.398 5.222 4.716 1.00 0.00 O ATOM 0 H GLY A 16 9.938 2.064 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.438 4.592 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.055 3.981 7.276 1.00 0.00 H new ATOM 196 N GLN A 17 10.966 3.054 4.518 1.00 0.00 N ATOM 197 CA GLN A 17 11.342 3.167 3.114 1.00 0.00 C ATOM 198 C GLN A 17 10.125 3.470 2.246 1.00 0.00 C ATOM 199 O GLN A 17 10.029 4.540 1.647 1.00 0.00 O ATOM 200 CB GLN A 17 12.014 1.879 2.638 1.00 0.00 C ATOM 201 CG GLN A 17 13.000 2.090 1.501 1.00 0.00 C ATOM 202 CD GLN A 17 14.026 0.978 1.403 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.341 0.320 2.394 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.552 0.762 0.203 1.00 0.00 N ATOM 0 H GLN A 17 11.074 2.118 4.910 1.00 0.00 H new ATOM 0 HA GLN A 17 12.047 3.993 3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.534 1.419 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.246 1.176 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.454 2.159 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.513 3.041 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.261 1.332 -0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.247 0.026 0.076 1.00 0.00 H new ATOM 213 N ALA A 18 9.196 2.521 2.186 1.00 0.00 N ATOM 214 CA ALA A 18 7.985 2.687 1.393 1.00 0.00 C ATOM 215 C ALA A 18 7.511 4.136 1.412 1.00 0.00 C ATOM 216 O ALA A 18 7.240 4.723 0.366 1.00 0.00 O ATOM 217 CB ALA A 18 6.888 1.764 1.905 1.00 0.00 C ATOM 0 H ALA A 18 9.260 1.629 2.677 1.00 0.00 H new ATOM 0 HA ALA A 18 8.216 2.421 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.989 1.899 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.221 0.729 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.667 2.003 2.945 1.00 0.00 H new ATOM 223 N GLU A 19 7.413 4.706 2.609 1.00 0.00 N ATOM 224 CA GLU A 19 6.969 6.086 2.763 1.00 0.00 C ATOM 225 C GLU A 19 7.819 7.029 1.915 1.00 0.00 C ATOM 226 O GLU A 19 7.294 7.867 1.181 1.00 0.00 O ATOM 227 CB GLU A 19 7.035 6.506 4.233 1.00 0.00 C ATOM 228 CG GLU A 19 5.744 6.264 4.994 1.00 0.00 C ATOM 229 CD GLU A 19 5.574 7.205 6.171 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.120 8.327 6.118 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.896 6.819 7.146 1.00 0.00 O ATOM 0 H GLU A 19 7.635 4.234 3.485 1.00 0.00 H new ATOM 0 HA GLU A 19 5.936 6.148 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.842 5.961 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.286 7.565 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.899 6.381 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.725 5.234 5.351 1.00 0.00 H new ATOM 238 N THR A 20 9.136 6.884 2.020 1.00 0.00 N ATOM 239 CA THR A 20 10.059 7.722 1.265 1.00 0.00 C ATOM 240 C THR A 20 9.791 7.624 -0.232 1.00 0.00 C ATOM 241 O THR A 20 9.621 8.638 -0.911 1.00 0.00 O ATOM 242 CB THR A 20 11.524 7.333 1.540 1.00 0.00 C ATOM 243 OG1 THR A 20 11.800 7.421 2.942 1.00 0.00 O ATOM 244 CG2 THR A 20 12.478 8.237 0.773 1.00 0.00 C ATOM 0 H THR A 20 9.587 6.194 2.621 1.00 0.00 H new ATOM 0 HA THR A 20 9.896 8.748 1.594 1.00 0.00 H new ATOM 0 HB THR A 20 11.672 6.307 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.339 6.696 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.506 7.943 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.286 8.145 -0.296 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.326 9.271 1.082 1.00 0.00 H new ATOM 252 N LEU A 21 9.756 6.399 -0.744 1.00 0.00 N ATOM 253 CA LEU A 21 9.508 6.167 -2.162 1.00 0.00 C ATOM 254 C LEU A 21 8.189 6.799 -2.594 1.00 0.00 C ATOM 255 O LEU A 21 8.158 7.651 -3.483 1.00 0.00 O ATOM 256 CB LEU A 21 9.490 4.667 -2.459 1.00 0.00 C ATOM 257 CG LEU A 21 10.767 3.899 -2.116 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.701 3.362 -0.695 1.00 0.00 C ATOM 259 CD2 LEU A 21 10.990 2.766 -3.108 1.00 0.00 C ATOM 0 H LEU A 21 9.897 5.550 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 21 10.315 6.632 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.662 4.218 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.281 4.530 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 21 11.611 4.585 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.618 2.818 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.589 4.192 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.848 2.690 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.903 2.230 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.144 2.080 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.083 3.176 -4.114 1.00 0.00 H new ATOM 271 N LEU A 22 7.101 6.378 -1.958 1.00 0.00 N ATOM 272 CA LEU A 22 5.777 6.905 -2.275 1.00 0.00 C ATOM 273 C LEU A 22 5.761 8.427 -2.181 1.00 0.00 C ATOM 274 O LEU A 22 5.505 9.116 -3.167 1.00 0.00 O ATOM 275 CB LEU A 22 4.732 6.311 -1.330 1.00 0.00 C ATOM 276 CG LEU A 22 4.304 4.873 -1.620 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.435 4.337 -0.492 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.567 4.793 -2.948 1.00 0.00 C ATOM 0 H LEU A 22 7.109 5.674 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 22 5.534 6.621 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.124 6.354 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.846 6.945 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 22 5.199 4.254 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.140 3.312 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.997 4.357 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.544 4.958 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.270 3.762 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.680 5.425 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.222 5.135 -3.749 1.00 0.00 H new ATOM 290 N GLN A 23 6.036 8.944 -0.987 1.00 0.00 N ATOM 291 CA GLN A 23 6.054 10.385 -0.765 1.00 0.00 C ATOM 292 C GLN A 23 6.884 11.090 -1.832 1.00 0.00 C ATOM 293 O GLN A 23 6.425 12.042 -2.462 1.00 0.00 O ATOM 294 CB GLN A 23 6.610 10.701 0.625 1.00 0.00 C ATOM 295 CG GLN A 23 5.620 10.445 1.749 1.00 0.00 C ATOM 296 CD GLN A 23 6.195 10.759 3.116 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.413 10.790 3.297 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.321 10.996 4.087 1.00 0.00 N ATOM 0 H GLN A 23 6.249 8.387 -0.160 1.00 0.00 H new ATOM 0 HA GLN A 23 5.029 10.750 -0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.503 10.100 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.918 11.746 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.728 11.050 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.307 9.401 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.320 10.960 3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.650 11.214 5.027 1.00 0.00 H new ATOM 307 N ALA A 24 8.111 10.617 -2.029 1.00 0.00 N ATOM 308 CA ALA A 24 9.005 11.201 -3.020 1.00 0.00 C ATOM 309 C ALA A 24 8.328 11.293 -4.383 1.00 0.00 C ATOM 310 O ALA A 24 8.520 12.262 -5.118 1.00 0.00 O ATOM 311 CB ALA A 24 10.287 10.387 -3.119 1.00 0.00 C ATOM 0 H ALA A 24 8.508 9.831 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 24 9.254 12.212 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.946 10.835 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.787 10.377 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.047 9.365 -3.414 1.00 0.00 H new ATOM 317 N LYS A 25 7.536 10.280 -4.716 1.00 0.00 N ATOM 318 CA LYS A 25 6.829 10.246 -5.990 1.00 0.00 C ATOM 319 C LYS A 25 5.929 11.467 -6.146 1.00 0.00 C ATOM 320 O LYS A 25 5.868 12.075 -7.214 1.00 0.00 O ATOM 321 CB LYS A 25 5.997 8.967 -6.101 1.00 0.00 C ATOM 322 CG LYS A 25 5.418 8.738 -7.486 1.00 0.00 C ATOM 323 CD LYS A 25 6.399 8.007 -8.388 1.00 0.00 C ATOM 324 CE LYS A 25 6.167 8.344 -9.853 1.00 0.00 C ATOM 325 NZ LYS A 25 7.357 8.027 -10.690 1.00 0.00 N ATOM 0 H LYS A 25 7.367 9.470 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 25 7.570 10.260 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.619 8.114 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.182 9.009 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.497 8.160 -7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.155 9.696 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.419 8.273 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.299 6.932 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.305 7.788 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.927 9.403 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.159 8.271 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.174 8.577 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.571 7.012 -10.619 1.00 0.00 H new ATOM 339 N GLY A 26 5.228 11.821 -5.071 1.00 0.00 N ATOM 340 CA GLY A 26 4.341 12.968 -5.110 1.00 0.00 C ATOM 341 C GLY A 26 3.087 12.705 -5.917 1.00 0.00 C ATOM 342 O GLY A 26 2.291 13.613 -6.154 1.00 0.00 O ATOM 0 H GLY A 26 5.260 11.334 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.063 13.243 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.872 13.819 -5.537 1.00 0.00 H new ATOM 346 N GLU A 27 2.910 11.458 -6.342 1.00 0.00 N ATOM 347 CA GLU A 27 1.743 11.078 -7.131 1.00 0.00 C ATOM 348 C GLU A 27 0.647 10.501 -6.238 1.00 0.00 C ATOM 349 O GLU A 27 0.837 9.502 -5.545 1.00 0.00 O ATOM 350 CB GLU A 27 2.134 10.057 -8.201 1.00 0.00 C ATOM 351 CG GLU A 27 2.590 10.687 -9.506 1.00 0.00 C ATOM 352 CD GLU A 27 1.435 11.022 -10.429 1.00 0.00 C ATOM 353 OE1 GLU A 27 0.473 10.227 -10.486 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.491 12.078 -11.092 1.00 0.00 O ATOM 0 H GLU A 27 3.559 10.694 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 27 1.358 11.974 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.933 9.425 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.282 9.407 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.152 11.596 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.271 10.005 -10.015 1.00 0.00 H new ATOM 361 N PRO A 28 -0.529 11.147 -6.255 1.00 0.00 N ATOM 362 CA PRO A 28 -1.679 10.718 -5.454 1.00 0.00 C ATOM 363 C PRO A 28 -2.279 9.409 -5.955 1.00 0.00 C ATOM 364 O PRO A 28 -2.346 9.168 -7.161 1.00 0.00 O ATOM 365 CB PRO A 28 -2.678 11.864 -5.625 1.00 0.00 C ATOM 366 CG PRO A 28 -2.317 12.491 -6.928 1.00 0.00 C ATOM 367 CD PRO A 28 -0.826 12.345 -7.058 1.00 0.00 C ATOM 0 HA PRO A 28 -1.404 10.525 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.704 11.497 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.603 12.580 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.831 11.999 -7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.610 13.541 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.524 12.217 -8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.302 13.223 -6.679 1.00 0.00 H new ATOM 375 N TRP A 29 -2.714 8.567 -5.025 1.00 0.00 N ATOM 376 CA TRP A 29 -3.309 7.283 -5.373 1.00 0.00 C ATOM 377 C TRP A 29 -2.252 6.317 -5.898 1.00 0.00 C ATOM 378 O TRP A 29 -2.535 5.472 -6.747 1.00 0.00 O ATOM 379 CB TRP A 29 -4.407 7.474 -6.421 1.00 0.00 C ATOM 380 CG TRP A 29 -5.276 8.667 -6.162 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.652 9.620 -7.065 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.873 9.037 -4.914 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.448 10.558 -6.455 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.599 10.224 -5.135 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.867 8.480 -3.633 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.310 10.860 -4.121 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.572 9.114 -2.627 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.286 10.293 -2.876 1.00 0.00 C ATOM 0 H TRP A 29 -2.666 8.751 -4.023 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.747 6.858 -4.470 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.947 7.575 -7.404 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.030 6.580 -6.451 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.365 9.634 -8.106 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.860 11.372 -6.911 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.321 7.570 -3.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.861 11.769 -4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.572 8.693 -1.632 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.828 10.764 -2.069 1.00 0.00 H new ATOM 399 N THR A 30 -1.032 6.447 -5.386 1.00 0.00 N ATOM 400 CA THR A 30 0.068 5.587 -5.803 1.00 0.00 C ATOM 401 C THR A 30 0.196 4.375 -4.887 1.00 0.00 C ATOM 402 O THR A 30 0.739 4.469 -3.787 1.00 0.00 O ATOM 403 CB THR A 30 1.405 6.351 -5.814 1.00 0.00 C ATOM 404 OG1 THR A 30 1.354 7.415 -6.770 1.00 0.00 O ATOM 405 CG2 THR A 30 2.559 5.417 -6.147 1.00 0.00 C ATOM 0 H THR A 30 -0.781 7.140 -4.681 1.00 0.00 H new ATOM 0 HA THR A 30 -0.159 5.252 -6.815 1.00 0.00 H new ATOM 0 HB THR A 30 1.569 6.766 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.626 8.253 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.493 5.979 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.613 4.625 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.398 4.977 -7.131 1.00 0.00 H new ATOM 413 N PHE A 31 -0.309 3.235 -5.349 1.00 0.00 N ATOM 414 CA PHE A 31 -0.251 2.003 -4.571 1.00 0.00 C ATOM 415 C PHE A 31 0.963 1.167 -4.965 1.00 0.00 C ATOM 416 O PHE A 31 1.534 1.350 -6.042 1.00 0.00 O ATOM 417 CB PHE A 31 -1.532 1.189 -4.770 1.00 0.00 C ATOM 418 CG PHE A 31 -1.591 0.479 -6.092 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.977 1.151 -7.239 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.260 -0.864 -6.186 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.033 0.499 -8.457 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.313 -1.521 -7.401 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.701 -0.839 -8.538 1.00 0.00 C ATOM 0 H PHE A 31 -0.763 3.139 -6.258 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.159 2.271 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.615 0.455 -3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.392 1.853 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.238 2.198 -7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.957 -1.403 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.336 1.035 -9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.051 -2.567 -7.461 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.745 -1.351 -9.488 1.00 0.00 H new ATOM 433 N LEU A 32 1.352 0.249 -4.087 1.00 0.00 N ATOM 434 CA LEU A 32 2.498 -0.616 -4.342 1.00 0.00 C ATOM 435 C LEU A 32 2.540 -1.773 -3.347 1.00 0.00 C ATOM 436 O LEU A 32 2.218 -1.605 -2.172 1.00 0.00 O ATOM 437 CB LEU A 32 3.797 0.188 -4.260 1.00 0.00 C ATOM 438 CG LEU A 32 4.319 0.481 -2.853 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.069 -0.722 -2.301 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.213 1.711 -2.861 1.00 0.00 C ATOM 0 H LEU A 32 0.891 0.085 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 32 2.395 -1.028 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.570 -0.352 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.646 1.137 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 32 3.466 0.681 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.433 -0.495 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.399 -1.580 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.913 -0.954 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.575 1.904 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.061 1.540 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.645 2.572 -3.213 1.00 0.00 H new ATOM 452 N VAL A 33 2.940 -2.945 -3.827 1.00 0.00 N ATOM 453 CA VAL A 33 3.027 -4.128 -2.981 1.00 0.00 C ATOM 454 C VAL A 33 4.447 -4.333 -2.466 1.00 0.00 C ATOM 455 O VAL A 33 5.415 -4.206 -3.216 1.00 0.00 O ATOM 456 CB VAL A 33 2.580 -5.394 -3.738 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.546 -6.592 -2.801 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.222 -5.175 -4.385 1.00 0.00 C ATOM 0 H VAL A 33 3.209 -3.101 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 33 2.358 -3.962 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 33 3.304 -5.600 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.228 -7.477 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.541 -6.760 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.844 -6.399 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.922 -6.079 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.485 -4.944 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.284 -4.345 -5.089 1.00 0.00 H new ATOM 468 N ARG A 34 4.565 -4.649 -1.181 1.00 0.00 N ATOM 469 CA ARG A 34 5.868 -4.871 -0.565 1.00 0.00 C ATOM 470 C ARG A 34 5.791 -5.974 0.486 1.00 0.00 C ATOM 471 O ARG A 34 5.170 -5.803 1.536 1.00 0.00 O ATOM 472 CB ARG A 34 6.379 -3.578 0.073 1.00 0.00 C ATOM 473 CG ARG A 34 5.429 -2.990 1.103 1.00 0.00 C ATOM 474 CD ARG A 34 5.757 -1.533 1.396 1.00 0.00 C ATOM 475 NE ARG A 34 5.344 -1.138 2.740 1.00 0.00 N ATOM 476 CZ ARG A 34 5.896 -1.617 3.848 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.878 -2.504 3.774 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.465 -1.209 5.036 1.00 0.00 N ATOM 0 H ARG A 34 3.774 -4.757 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 34 6.563 -5.184 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.341 -3.773 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.554 -2.841 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.404 -3.068 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.486 -3.569 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.830 -1.374 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.262 -0.896 0.663 1.00 0.00 H new ATOM 0 HE ARG A 34 4.590 -0.457 2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.212 -2.821 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.300 -2.870 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.709 -0.527 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.890 -1.578 5.887 1.00 0.00 H new ATOM 492 N GLU A 35 6.425 -7.106 0.197 1.00 0.00 N ATOM 493 CA GLU A 35 6.428 -8.237 1.117 1.00 0.00 C ATOM 494 C GLU A 35 6.767 -7.785 2.534 1.00 0.00 C ATOM 495 O GLU A 35 7.823 -7.199 2.775 1.00 0.00 O ATOM 496 CB GLU A 35 7.430 -9.297 0.655 1.00 0.00 C ATOM 497 CG GLU A 35 7.014 -10.717 0.997 1.00 0.00 C ATOM 498 CD GLU A 35 8.200 -11.625 1.260 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.947 -11.919 0.304 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.380 -12.042 2.424 1.00 0.00 O ATOM 0 H GLU A 35 6.943 -7.264 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 35 5.428 -8.670 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.561 -9.216 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.399 -9.092 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.371 -10.701 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.423 -11.126 0.178 1.00 0.00 H new ATOM 507 N SER A 36 5.863 -8.060 3.469 1.00 0.00 N ATOM 508 CA SER A 36 6.064 -7.678 4.862 1.00 0.00 C ATOM 509 C SER A 36 7.344 -8.295 5.416 1.00 0.00 C ATOM 510 O SER A 36 7.776 -9.361 4.974 1.00 0.00 O ATOM 511 CB SER A 36 4.867 -8.113 5.710 1.00 0.00 C ATOM 512 OG SER A 36 4.771 -7.339 6.893 1.00 0.00 O ATOM 0 H SER A 36 4.985 -8.546 3.287 1.00 0.00 H new ATOM 0 HA SER A 36 6.156 -6.593 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.950 -8.011 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.965 -9.167 5.969 1.00 0.00 H new ATOM 0 HG SER A 36 3.997 -7.636 7.416 1.00 0.00 H new ATOM 518 N LEU A 37 7.949 -7.618 6.386 1.00 0.00 N ATOM 519 CA LEU A 37 9.180 -8.098 7.002 1.00 0.00 C ATOM 520 C LEU A 37 8.880 -8.933 8.242 1.00 0.00 C ATOM 521 O LEU A 37 9.432 -10.019 8.421 1.00 0.00 O ATOM 522 CB LEU A 37 10.082 -6.919 7.373 1.00 0.00 C ATOM 523 CG LEU A 37 10.573 -6.057 6.210 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.926 -4.658 6.693 1.00 0.00 C ATOM 525 CD2 LEU A 37 11.769 -6.707 5.532 1.00 0.00 C ATOM 0 H LEU A 37 7.606 -6.734 6.763 1.00 0.00 H new ATOM 0 HA LEU A 37 9.696 -8.729 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.541 -6.279 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.951 -7.306 7.904 1.00 0.00 H new ATOM 0 HG LEU A 37 9.768 -5.974 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.273 -4.059 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.044 -4.191 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.714 -4.720 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.105 -6.079 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.578 -6.822 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.482 -7.687 5.149 1.00 0.00 H new ATOM 537 N SER A 38 7.999 -8.420 9.096 1.00 0.00 N ATOM 538 CA SER A 38 7.626 -9.118 10.321 1.00 0.00 C ATOM 539 C SER A 38 7.088 -10.510 10.010 1.00 0.00 C ATOM 540 O SER A 38 7.689 -11.517 10.385 1.00 0.00 O ATOM 541 CB SER A 38 6.577 -8.314 11.091 1.00 0.00 C ATOM 542 OG SER A 38 6.359 -8.862 12.380 1.00 0.00 O ATOM 0 H SER A 38 7.531 -7.524 8.962 1.00 0.00 H new ATOM 0 HA SER A 38 8.519 -9.222 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.904 -7.278 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.640 -8.304 10.533 1.00 0.00 H new ATOM 0 HG SER A 38 5.824 -9.679 12.302 1.00 0.00 H new ATOM 548 N GLN A 39 5.952 -10.559 9.323 1.00 0.00 N ATOM 549 CA GLN A 39 5.332 -11.829 8.962 1.00 0.00 C ATOM 550 C GLN A 39 5.752 -12.261 7.561 1.00 0.00 C ATOM 551 O GLN A 39 5.299 -11.718 6.553 1.00 0.00 O ATOM 552 CB GLN A 39 3.808 -11.717 9.037 1.00 0.00 C ATOM 553 CG GLN A 39 3.241 -12.045 10.408 1.00 0.00 C ATOM 554 CD GLN A 39 4.072 -11.469 11.538 1.00 0.00 C ATOM 555 OE1 GLN A 39 4.412 -10.286 11.532 1.00 0.00 O ATOM 556 NE2 GLN A 39 4.404 -12.305 12.514 1.00 0.00 N ATOM 0 H GLN A 39 5.442 -9.735 9.005 1.00 0.00 H new ATOM 0 HA GLN A 39 5.670 -12.583 9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.513 -10.704 8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.366 -12.388 8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.224 -11.660 10.478 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.180 -13.127 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.100 -13.278 12.478 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.963 -11.974 13.300 1.00 0.00 H new ATOM 565 N PRO A 40 6.643 -13.264 7.493 1.00 0.00 N ATOM 566 CA PRO A 40 7.144 -13.791 6.220 1.00 0.00 C ATOM 567 C PRO A 40 6.075 -14.558 5.449 1.00 0.00 C ATOM 568 O PRO A 40 6.344 -15.118 4.388 1.00 0.00 O ATOM 569 CB PRO A 40 8.273 -14.732 6.648 1.00 0.00 C ATOM 570 CG PRO A 40 7.920 -15.141 8.036 1.00 0.00 C ATOM 571 CD PRO A 40 7.226 -13.957 8.652 1.00 0.00 C ATOM 0 HA PRO A 40 7.464 -12.996 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.341 -15.595 5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.240 -14.230 6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.270 -16.016 8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.812 -15.409 8.603 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.460 -14.265 9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.924 -13.318 9.193 1.00 0.00 H new ATOM 579 N GLY A 41 4.860 -14.576 5.990 1.00 0.00 N ATOM 580 CA GLY A 41 3.769 -15.276 5.337 1.00 0.00 C ATOM 581 C GLY A 41 2.671 -14.338 4.878 1.00 0.00 C ATOM 582 O GLY A 41 1.869 -14.686 4.011 1.00 0.00 O ATOM 0 H GLY A 41 4.612 -14.119 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.156 -15.825 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.351 -16.012 6.024 1.00 0.00 H new ATOM 586 N ASP A 42 2.632 -13.145 5.460 1.00 0.00 N ATOM 587 CA ASP A 42 1.623 -12.153 5.107 1.00 0.00 C ATOM 588 C ASP A 42 2.210 -11.083 4.191 1.00 0.00 C ATOM 589 O ASP A 42 3.411 -11.071 3.923 1.00 0.00 O ATOM 590 CB ASP A 42 1.049 -11.504 6.367 1.00 0.00 C ATOM 591 CG ASP A 42 0.006 -12.373 7.041 1.00 0.00 C ATOM 592 OD1 ASP A 42 0.123 -13.614 6.961 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.929 -11.812 7.650 1.00 0.00 O ATOM 0 H ASP A 42 3.288 -12.841 6.179 1.00 0.00 H new ATOM 0 HA ASP A 42 0.820 -12.663 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.858 -11.302 7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.605 -10.543 6.107 1.00 0.00 H new ATOM 598 N PHE A 43 1.355 -10.186 3.714 1.00 0.00 N ATOM 599 CA PHE A 43 1.788 -9.112 2.827 1.00 0.00 C ATOM 600 C PHE A 43 1.276 -7.762 3.316 1.00 0.00 C ATOM 601 O PHE A 43 0.625 -7.672 4.358 1.00 0.00 O ATOM 602 CB PHE A 43 1.295 -9.370 1.401 1.00 0.00 C ATOM 603 CG PHE A 43 1.665 -10.728 0.875 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.090 -11.871 1.406 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.588 -10.860 -0.149 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.428 -13.122 0.925 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.929 -12.109 -0.636 1.00 0.00 C ATOM 608 CZ PHE A 43 2.349 -13.241 -0.098 1.00 0.00 C ATOM 0 H PHE A 43 0.357 -10.181 3.926 1.00 0.00 H new ATOM 0 HA PHE A 43 2.878 -9.090 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.211 -9.262 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.707 -8.608 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.369 -11.784 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.046 -9.978 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.973 -14.005 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.648 -12.199 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.615 -14.217 -0.476 1.00 0.00 H new ATOM 618 N VAL A 44 1.577 -6.711 2.560 1.00 0.00 N ATOM 619 CA VAL A 44 1.147 -5.364 2.916 1.00 0.00 C ATOM 620 C VAL A 44 0.895 -4.520 1.671 1.00 0.00 C ATOM 621 O VAL A 44 1.537 -4.712 0.638 1.00 0.00 O ATOM 622 CB VAL A 44 2.193 -4.656 3.798 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.755 -3.233 4.108 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.427 -5.442 5.080 1.00 0.00 C ATOM 0 H VAL A 44 2.117 -6.767 1.697 1.00 0.00 H new ATOM 0 HA VAL A 44 0.218 -5.466 3.477 1.00 0.00 H new ATOM 0 HB VAL A 44 3.134 -4.609 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.506 -2.749 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.642 -2.676 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.802 -3.253 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.169 -4.928 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.492 -5.521 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.789 -6.440 4.834 1.00 0.00 H new ATOM 634 N LEU A 45 -0.043 -3.585 1.777 1.00 0.00 N ATOM 635 CA LEU A 45 -0.380 -2.711 0.660 1.00 0.00 C ATOM 636 C LEU A 45 -0.312 -1.245 1.076 1.00 0.00 C ATOM 637 O LEU A 45 -1.068 -0.799 1.939 1.00 0.00 O ATOM 638 CB LEU A 45 -1.778 -3.039 0.134 1.00 0.00 C ATOM 639 CG LEU A 45 -2.400 -2.009 -0.810 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.869 -2.190 -2.223 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.918 -2.116 -0.790 1.00 0.00 C ATOM 0 H LEU A 45 -0.583 -3.413 2.625 1.00 0.00 H new ATOM 0 HA LEU A 45 0.349 -2.879 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.734 -3.997 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.444 -3.169 0.987 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.121 -1.013 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.323 -1.448 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.787 -2.062 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.116 -3.190 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.344 -1.376 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.217 -3.114 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.282 -1.935 0.221 1.00 0.00 H new ATOM 653 N SER A 46 0.596 -0.499 0.455 1.00 0.00 N ATOM 654 CA SER A 46 0.763 0.916 0.760 1.00 0.00 C ATOM 655 C SER A 46 0.208 1.785 -0.363 1.00 0.00 C ATOM 656 O SER A 46 0.239 1.402 -1.532 1.00 0.00 O ATOM 657 CB SER A 46 2.241 1.239 0.988 1.00 0.00 C ATOM 658 OG SER A 46 2.806 0.383 1.965 1.00 0.00 O ATOM 0 H SER A 46 1.228 -0.852 -0.263 1.00 0.00 H new ATOM 0 HA SER A 46 0.206 1.133 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.788 1.136 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.345 2.277 1.306 1.00 0.00 H new ATOM 0 HG SER A 46 3.024 -0.481 1.557 1.00 0.00 H new ATOM 664 N VAL A 47 -0.302 2.958 0.000 1.00 0.00 N ATOM 665 CA VAL A 47 -0.864 3.883 -0.976 1.00 0.00 C ATOM 666 C VAL A 47 -0.666 5.330 -0.539 1.00 0.00 C ATOM 667 O VAL A 47 -0.902 5.679 0.619 1.00 0.00 O ATOM 668 CB VAL A 47 -2.368 3.624 -1.194 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.953 4.652 -2.150 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.595 2.212 -1.711 1.00 0.00 C ATOM 0 H VAL A 47 -0.337 3.290 0.964 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.335 3.714 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.879 3.722 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.015 4.454 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.823 5.651 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.441 4.589 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.662 2.046 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.072 2.083 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.213 1.493 -0.986 1.00 0.00 H new ATOM 680 N LEU A 48 -0.234 6.170 -1.473 1.00 0.00 N ATOM 681 CA LEU A 48 -0.005 7.582 -1.185 1.00 0.00 C ATOM 682 C LEU A 48 -1.266 8.401 -1.437 1.00 0.00 C ATOM 683 O LEU A 48 -1.554 8.783 -2.571 1.00 0.00 O ATOM 684 CB LEU A 48 1.144 8.117 -2.042 1.00 0.00 C ATOM 685 CG LEU A 48 1.717 9.473 -1.625 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.392 9.371 -0.266 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.696 9.983 -2.673 1.00 0.00 C ATOM 0 H LEU A 48 -0.035 5.898 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 48 0.261 7.674 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.951 7.385 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.797 8.193 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 48 0.896 10.186 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.794 10.345 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.664 9.051 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.203 8.645 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.094 10.948 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.515 9.272 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.182 10.095 -3.628 1.00 0.00 H new ATOM 699 N SER A 49 -2.015 8.668 -0.371 1.00 0.00 N ATOM 700 CA SER A 49 -3.247 9.440 -0.477 1.00 0.00 C ATOM 701 C SER A 49 -2.971 10.827 -1.048 1.00 0.00 C ATOM 702 O SER A 49 -1.849 11.327 -0.979 1.00 0.00 O ATOM 703 CB SER A 49 -3.914 9.564 0.895 1.00 0.00 C ATOM 704 OG SER A 49 -3.008 10.073 1.859 1.00 0.00 O ATOM 0 H SER A 49 -1.790 8.361 0.575 1.00 0.00 H new ATOM 0 HA SER A 49 -3.920 8.915 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.781 10.221 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.280 8.588 1.215 1.00 0.00 H new ATOM 0 HG SER A 49 -2.101 9.769 1.648 1.00 0.00 H new ATOM 710 N ASP A 50 -4.004 11.443 -1.612 1.00 0.00 N ATOM 711 CA ASP A 50 -3.875 12.773 -2.196 1.00 0.00 C ATOM 712 C ASP A 50 -3.938 13.850 -1.116 1.00 0.00 C ATOM 713 O ASP A 50 -3.867 15.042 -1.411 1.00 0.00 O ATOM 714 CB ASP A 50 -4.976 13.008 -3.232 1.00 0.00 C ATOM 715 CG ASP A 50 -5.097 14.466 -3.627 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.148 14.995 -4.243 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.141 15.079 -3.320 1.00 0.00 O ATOM 0 H ASP A 50 -4.940 11.043 -1.677 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.904 12.833 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.769 12.410 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.929 12.663 -2.830 1.00 0.00 H new ATOM 722 N GLN A 51 -4.074 13.419 0.134 1.00 0.00 N ATOM 723 CA GLN A 51 -4.148 14.345 1.257 1.00 0.00 C ATOM 724 C GLN A 51 -2.760 14.632 1.819 1.00 0.00 C ATOM 725 O GLN A 51 -2.112 13.768 2.409 1.00 0.00 O ATOM 726 CB GLN A 51 -5.049 13.778 2.355 1.00 0.00 C ATOM 727 CG GLN A 51 -6.428 13.370 1.861 1.00 0.00 C ATOM 728 CD GLN A 51 -7.082 12.331 2.749 1.00 0.00 C ATOM 729 OE1 GLN A 51 -6.535 11.947 3.783 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.261 11.869 2.349 1.00 0.00 N ATOM 0 H GLN A 51 -4.135 12.435 0.394 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.574 15.281 0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.561 12.912 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.160 14.523 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.067 14.252 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.345 12.976 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.678 12.215 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.750 11.168 2.906 1.00 0.00 H new ATOM 739 N PRO A 52 -2.291 15.875 1.634 1.00 0.00 N ATOM 740 CA PRO A 52 -0.974 16.305 2.114 1.00 0.00 C ATOM 741 C PRO A 52 -0.918 16.406 3.635 1.00 0.00 C ATOM 742 O PRO A 52 -1.929 16.666 4.289 1.00 0.00 O ATOM 743 CB PRO A 52 -0.798 17.686 1.480 1.00 0.00 C ATOM 744 CG PRO A 52 -2.186 18.176 1.248 1.00 0.00 C ATOM 745 CD PRO A 52 -3.009 16.956 0.939 1.00 0.00 C ATOM 0 HA PRO A 52 -0.191 15.596 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.246 18.357 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.239 17.625 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.570 18.693 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.216 18.887 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.031 17.058 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.069 16.773 -0.134 1.00 0.00 H new ATOM 753 N LYS A 53 0.270 16.199 4.193 1.00 0.00 N ATOM 754 CA LYS A 53 0.460 16.269 5.638 1.00 0.00 C ATOM 755 C LYS A 53 0.152 17.668 6.160 1.00 0.00 C ATOM 756 O LYS A 53 -0.687 17.841 7.043 1.00 0.00 O ATOM 757 CB LYS A 53 1.894 15.880 6.003 1.00 0.00 C ATOM 758 CG LYS A 53 2.160 14.386 5.919 1.00 0.00 C ATOM 759 CD LYS A 53 3.566 14.043 6.378 1.00 0.00 C ATOM 760 CE LYS A 53 3.705 14.171 7.887 1.00 0.00 C ATOM 761 NZ LYS A 53 4.124 15.542 8.292 1.00 0.00 N ATOM 0 H LYS A 53 1.116 15.981 3.667 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.230 15.567 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.583 16.401 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.108 16.222 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.435 13.852 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.019 14.048 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.811 13.026 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.281 14.704 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.754 13.927 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.436 13.447 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.012 15.489 8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.269 16.126 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.384 15.970 8.885 1.00 0.00 H new ATOM 775 N ALA A 54 0.837 18.665 5.608 1.00 0.00 N ATOM 776 CA ALA A 54 0.634 20.049 6.016 1.00 0.00 C ATOM 777 C ALA A 54 0.530 20.969 4.804 1.00 0.00 C ATOM 778 O ALA A 54 1.534 21.488 4.318 1.00 0.00 O ATOM 779 CB ALA A 54 1.765 20.502 6.929 1.00 0.00 C ATOM 0 H ALA A 54 1.537 18.539 4.877 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.306 20.106 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.600 21.538 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.791 19.870 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.714 20.423 6.399 1.00 0.00 H new ATOM 785 N GLY A 55 -0.692 21.166 4.320 1.00 0.00 N ATOM 786 CA GLY A 55 -0.906 22.023 3.169 1.00 0.00 C ATOM 787 C GLY A 55 -0.059 21.615 1.978 1.00 0.00 C ATOM 788 O GLY A 55 0.504 20.521 1.936 1.00 0.00 O ATOM 0 H GLY A 55 -1.539 20.747 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.959 21.995 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.676 23.054 3.439 1.00 0.00 H new ATOM 792 N PRO A 56 0.036 22.508 0.982 1.00 0.00 N ATOM 793 CA PRO A 56 0.816 22.256 -0.234 1.00 0.00 C ATOM 794 C PRO A 56 2.317 22.246 0.032 1.00 0.00 C ATOM 795 O PRO A 56 2.843 23.128 0.712 1.00 0.00 O ATOM 796 CB PRO A 56 0.443 23.430 -1.144 1.00 0.00 C ATOM 797 CG PRO A 56 0.030 24.515 -0.212 1.00 0.00 C ATOM 798 CD PRO A 56 -0.610 23.832 0.965 1.00 0.00 C ATOM 0 HA PRO A 56 0.597 21.279 -0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.288 23.738 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.366 23.163 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.889 25.108 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.670 25.198 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.433 24.378 1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.690 23.751 0.844 1.00 0.00 H new ATOM 806 N GLY A 57 3.003 21.244 -0.507 1.00 0.00 N ATOM 807 CA GLY A 57 4.438 21.138 -0.316 1.00 0.00 C ATOM 808 C GLY A 57 4.828 19.906 0.476 1.00 0.00 C ATOM 809 O GLY A 57 5.782 19.211 0.126 1.00 0.00 O ATOM 0 H GLY A 57 2.591 20.503 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.930 21.112 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.799 22.027 0.200 1.00 0.00 H new ATOM 813 N SER A 58 4.091 19.635 1.547 1.00 0.00 N ATOM 814 CA SER A 58 4.370 18.482 2.395 1.00 0.00 C ATOM 815 C SER A 58 4.155 17.179 1.628 1.00 0.00 C ATOM 816 O SER A 58 3.373 17.110 0.680 1.00 0.00 O ATOM 817 CB SER A 58 3.476 18.508 3.637 1.00 0.00 C ATOM 818 OG SER A 58 2.248 17.843 3.397 1.00 0.00 O ATOM 0 H SER A 58 3.296 20.198 1.849 1.00 0.00 H new ATOM 0 HA SER A 58 5.414 18.534 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.993 18.033 4.471 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.283 19.541 3.928 1.00 0.00 H new ATOM 0 HG SER A 58 1.865 18.158 2.551 1.00 0.00 H new ATOM 824 N PRO A 59 4.866 16.123 2.048 1.00 0.00 N ATOM 825 CA PRO A 59 4.772 14.804 1.416 1.00 0.00 C ATOM 826 C PRO A 59 3.430 14.129 1.679 1.00 0.00 C ATOM 827 O PRO A 59 3.057 13.896 2.829 1.00 0.00 O ATOM 828 CB PRO A 59 5.906 14.013 2.073 1.00 0.00 C ATOM 829 CG PRO A 59 6.116 14.676 3.390 1.00 0.00 C ATOM 830 CD PRO A 59 5.817 16.134 3.172 1.00 0.00 C ATOM 0 HA PRO A 59 4.851 14.866 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.637 12.964 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.811 14.041 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.459 14.252 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.139 14.535 3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.383 16.592 4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.718 16.697 2.930 1.00 0.00 H new ATOM 838 N LEU A 60 2.710 13.818 0.608 1.00 0.00 N ATOM 839 CA LEU A 60 1.408 13.168 0.724 1.00 0.00 C ATOM 840 C LEU A 60 1.436 12.080 1.792 1.00 0.00 C ATOM 841 O LEU A 60 2.462 11.437 2.011 1.00 0.00 O ATOM 842 CB LEU A 60 0.993 12.568 -0.622 1.00 0.00 C ATOM 843 CG LEU A 60 0.461 13.556 -1.661 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.168 12.843 -2.973 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.786 14.255 -1.142 1.00 0.00 C ATOM 0 H LEU A 60 3.004 14.005 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 60 0.678 13.922 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.853 12.052 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.227 11.814 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 60 1.226 14.310 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.210 13.561 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.083 12.389 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.580 12.068 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.151 14.954 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.557 13.514 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.545 14.798 -0.228 1.00 0.00 H new ATOM 857 N ARG A 61 0.299 11.877 2.452 1.00 0.00 N ATOM 858 CA ARG A 61 0.194 10.866 3.497 1.00 0.00 C ATOM 859 C ARG A 61 0.247 9.462 2.901 1.00 0.00 C ATOM 860 O ARG A 61 -0.170 9.243 1.765 1.00 0.00 O ATOM 861 CB ARG A 61 -1.106 11.049 4.283 1.00 0.00 C ATOM 862 CG ARG A 61 -1.014 10.587 5.728 1.00 0.00 C ATOM 863 CD ARG A 61 -0.486 11.690 6.633 1.00 0.00 C ATOM 864 NE ARG A 61 -0.005 11.168 7.909 1.00 0.00 N ATOM 865 CZ ARG A 61 0.232 11.929 8.972 1.00 0.00 C ATOM 866 NH1 ARG A 61 0.032 13.238 8.912 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.669 11.379 10.099 1.00 0.00 N ATOM 0 H ARG A 61 -0.561 12.399 2.281 1.00 0.00 H new ATOM 0 HA ARG A 61 1.040 10.988 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.387 12.102 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.903 10.498 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.998 10.271 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.360 9.718 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.324 12.216 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.276 12.419 6.814 1.00 0.00 H new ATOM 0 HE ARG A 61 0.158 10.164 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.305 13.663 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.215 13.820 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.823 10.372 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.851 11.964 10.915 1.00 0.00 H new ATOM 881 N VAL A 62 0.763 8.515 3.679 1.00 0.00 N ATOM 882 CA VAL A 62 0.871 7.132 3.229 1.00 0.00 C ATOM 883 C VAL A 62 -0.003 6.211 4.072 1.00 0.00 C ATOM 884 O VAL A 62 0.093 6.197 5.300 1.00 0.00 O ATOM 885 CB VAL A 62 2.328 6.635 3.286 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.454 5.276 2.614 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.262 7.647 2.640 1.00 0.00 C ATOM 0 H VAL A 62 1.112 8.680 4.623 1.00 0.00 H new ATOM 0 HA VAL A 62 0.528 7.107 2.195 1.00 0.00 H new ATOM 0 HB VAL A 62 2.616 6.526 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.490 4.940 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.814 4.557 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.148 5.356 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.287 7.279 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.978 7.791 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.191 8.597 3.170 1.00 0.00 H new ATOM 897 N THR A 63 -0.856 5.439 3.406 1.00 0.00 N ATOM 898 CA THR A 63 -1.748 4.513 4.094 1.00 0.00 C ATOM 899 C THR A 63 -1.214 3.087 4.033 1.00 0.00 C ATOM 900 O THR A 63 -1.262 2.439 2.987 1.00 0.00 O ATOM 901 CB THR A 63 -3.164 4.546 3.490 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.718 5.860 3.611 1.00 0.00 O ATOM 903 CG2 THR A 63 -4.071 3.541 4.186 1.00 0.00 C ATOM 0 H THR A 63 -0.948 5.437 2.390 1.00 0.00 H new ATOM 0 HA THR A 63 -1.797 4.834 5.134 1.00 0.00 H new ATOM 0 HB THR A 63 -3.092 4.279 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.618 5.873 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.066 3.581 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.661 2.538 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.136 3.783 5.247 1.00 0.00 H new ATOM 911 N HIS A 64 -0.703 2.602 5.160 1.00 0.00 N ATOM 912 CA HIS A 64 -0.161 1.249 5.236 1.00 0.00 C ATOM 913 C HIS A 64 -1.207 0.274 5.765 1.00 0.00 C ATOM 914 O HIS A 64 -1.616 0.356 6.924 1.00 0.00 O ATOM 915 CB HIS A 64 1.078 1.224 6.130 1.00 0.00 C ATOM 916 CG HIS A 64 2.057 2.316 5.829 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.110 2.162 4.951 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.139 3.585 6.294 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.797 3.289 4.890 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.229 4.168 5.695 1.00 0.00 N ATOM 0 H HIS A 64 -0.653 3.126 6.034 1.00 0.00 H new ATOM 0 HA HIS A 64 0.121 0.939 4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.766 1.304 7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.576 0.261 6.020 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.325 1.311 4.431 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.472 4.052 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.674 3.462 4.284 1.00 0.00 H new ATOM 929 N ILE A 65 -1.636 -0.648 4.911 1.00 0.00 N ATOM 930 CA ILE A 65 -2.633 -1.640 5.293 1.00 0.00 C ATOM 931 C ILE A 65 -2.072 -3.054 5.185 1.00 0.00 C ATOM 932 O ILE A 65 -1.579 -3.460 4.132 1.00 0.00 O ATOM 933 CB ILE A 65 -3.897 -1.533 4.419 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.448 -0.106 4.452 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.951 -2.525 4.890 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.299 0.241 3.252 1.00 0.00 C ATOM 0 H ILE A 65 -1.308 -0.729 3.948 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.900 -1.436 6.330 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.631 -1.775 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.041 0.025 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.615 0.595 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.838 -2.438 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.555 -3.538 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.216 -2.310 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.655 1.267 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.705 0.143 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.152 -0.436 3.203 1.00 0.00 H new ATOM 948 N LYS A 66 -2.151 -3.801 6.281 1.00 0.00 N ATOM 949 CA LYS A 66 -1.655 -5.172 6.311 1.00 0.00 C ATOM 950 C LYS A 66 -2.583 -6.104 5.540 1.00 0.00 C ATOM 951 O LYS A 66 -3.802 -6.064 5.711 1.00 0.00 O ATOM 952 CB LYS A 66 -1.516 -5.654 7.757 1.00 0.00 C ATOM 953 CG LYS A 66 -0.164 -5.344 8.375 1.00 0.00 C ATOM 954 CD LYS A 66 -0.131 -5.701 9.852 1.00 0.00 C ATOM 955 CE LYS A 66 1.290 -5.690 10.396 1.00 0.00 C ATOM 956 NZ LYS A 66 2.006 -6.961 10.097 1.00 0.00 N ATOM 0 H LYS A 66 -2.554 -3.480 7.161 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.675 -5.188 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.297 -5.192 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.683 -6.731 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.613 -5.898 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.060 -4.284 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.742 -4.993 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.571 -6.688 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.838 -4.853 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.265 -5.532 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.970 -6.915 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.496 -7.757 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.052 -7.100 9.067 1.00 0.00 H new ATOM 970 N VAL A 67 -2.000 -6.943 4.690 1.00 0.00 N ATOM 971 CA VAL A 67 -2.775 -7.887 3.894 1.00 0.00 C ATOM 972 C VAL A 67 -2.713 -9.289 4.490 1.00 0.00 C ATOM 973 O VAL A 67 -1.730 -10.008 4.313 1.00 0.00 O ATOM 974 CB VAL A 67 -2.274 -7.938 2.439 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.119 -8.899 1.616 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.284 -6.547 1.824 1.00 0.00 C ATOM 0 H VAL A 67 -0.993 -6.988 4.535 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.807 -7.536 3.903 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.247 -8.304 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.750 -8.922 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.056 -9.899 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.157 -8.566 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.927 -6.601 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.300 -6.152 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.632 -5.890 2.400 1.00 0.00 H new ATOM 986 N MET A 68 -3.771 -9.672 5.198 1.00 0.00 N ATOM 987 CA MET A 68 -3.838 -10.989 5.820 1.00 0.00 C ATOM 988 C MET A 68 -3.871 -12.088 4.763 1.00 0.00 C ATOM 989 O MET A 68 -4.181 -11.833 3.598 1.00 0.00 O ATOM 990 CB MET A 68 -5.073 -11.092 6.717 1.00 0.00 C ATOM 991 CG MET A 68 -4.819 -10.656 8.151 1.00 0.00 C ATOM 992 SD MET A 68 -6.305 -10.724 9.171 1.00 0.00 S ATOM 993 CE MET A 68 -7.385 -9.616 8.269 1.00 0.00 C ATOM 0 H MET A 68 -4.593 -9.089 5.355 1.00 0.00 H new ATOM 0 HA MET A 68 -2.944 -11.121 6.429 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.870 -10.480 6.295 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.428 -12.123 6.716 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.052 -11.294 8.590 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.427 -9.639 8.153 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.989 -9.044 8.973 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.785 -8.933 7.667 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.039 -10.196 7.617 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.551 -13.310 5.174 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.544 -14.447 4.262 1.00 0.00 C ATOM 1005 C CYS A 69 -4.346 -15.610 4.836 1.00 0.00 C ATOM 1006 O CYS A 69 -4.043 -16.112 5.917 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.108 -14.892 3.979 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.982 -16.346 2.911 1.00 0.00 S ATOM 0 H CYS A 69 -3.293 -13.538 6.134 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.010 -14.134 3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.568 -14.066 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.612 -15.106 4.926 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.915 -15.968 1.669 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.373 -16.033 4.105 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.221 -17.136 4.543 1.00 0.00 C ATOM 1016 C GLU A 70 -6.171 -18.290 3.547 1.00 0.00 C ATOM 1017 O GLU A 70 -6.802 -18.241 2.492 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.665 -16.660 4.718 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.818 -15.545 5.738 1.00 0.00 C ATOM 1020 CD GLU A 70 -7.795 -16.052 7.167 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.159 -17.097 7.415 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -8.413 -15.403 8.036 1.00 0.00 O ATOM 0 H GLU A 70 -5.638 -15.629 3.207 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.844 -17.491 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.044 -16.316 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.283 -17.505 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.016 -14.820 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.756 -15.020 5.558 1.00 0.00 H new ATOM 1029 N GLY A 71 -5.416 -19.329 3.890 1.00 0.00 N ATOM 1030 CA GLY A 71 -5.297 -20.481 3.016 1.00 0.00 C ATOM 1031 C GLY A 71 -4.930 -20.096 1.595 1.00 0.00 C ATOM 1032 O GLY A 71 -5.644 -20.430 0.651 1.00 0.00 O ATOM 0 H GLY A 71 -4.884 -19.393 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.540 -21.158 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.240 -21.027 3.009 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.814 -19.389 1.445 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.375 -18.967 0.127 1.00 0.00 C ATOM 1038 C GLY A 72 -4.049 -17.688 -0.327 1.00 0.00 C ATOM 1039 O GLY A 72 -3.442 -16.870 -1.018 1.00 0.00 O ATOM 0 H GLY A 72 -3.206 -19.101 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.295 -18.821 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.583 -19.759 -0.593 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.309 -17.515 0.059 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.068 -16.328 -0.315 1.00 0.00 C ATOM 1045 C ARG A 73 -5.643 -15.125 0.521 1.00 0.00 C ATOM 1046 O ARG A 73 -4.956 -15.271 1.532 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.567 -16.580 -0.142 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.084 -17.760 -0.947 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.412 -18.265 -0.406 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.130 -19.076 -1.385 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.778 -20.315 -1.713 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -8.724 -20.881 -1.143 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.481 -20.989 -2.614 1.00 0.00 N ATOM 0 H ARG A 73 -5.826 -18.183 0.631 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.862 -16.111 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.778 -16.751 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.114 -15.684 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.203 -17.466 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.351 -18.566 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.236 -18.855 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.031 -17.416 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.946 -18.670 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.181 -20.366 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.456 -21.832 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.292 -20.556 -3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.210 -21.940 -2.865 1.00 0.00 H new ATOM 1067 N TYR A 74 -6.055 -13.938 0.092 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.715 -12.709 0.798 1.00 0.00 C ATOM 1069 C TYR A 74 -6.969 -11.905 1.129 1.00 0.00 C ATOM 1070 O TYR A 74 -7.968 -11.966 0.411 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.758 -11.861 -0.041 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.432 -12.535 -0.314 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.757 -13.215 0.693 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.853 -12.490 -1.576 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.545 -13.831 0.449 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.643 -13.104 -1.829 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.992 -13.773 -0.814 1.00 0.00 C ATOM 1078 OH TYR A 74 0.215 -14.386 -1.061 1.00 0.00 O ATOM 0 H TYR A 74 -6.626 -13.801 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.224 -12.982 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.236 -11.621 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.577 -10.917 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.187 -13.262 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.359 -11.965 -2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.033 -14.355 1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.208 -13.061 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 74 0.912 -13.968 -0.514 1.00 0.00 H new ATOM 1088 N THR A 75 -6.909 -11.149 2.221 1.00 0.00 N ATOM 1089 CA THR A 75 -8.037 -10.333 2.648 1.00 0.00 C ATOM 1090 C THR A 75 -7.578 -9.176 3.529 1.00 0.00 C ATOM 1091 O THR A 75 -6.458 -9.178 4.039 1.00 0.00 O ATOM 1092 CB THR A 75 -9.076 -11.169 3.420 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.310 -10.449 3.516 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.570 -11.508 4.813 1.00 0.00 C ATOM 0 H THR A 75 -6.090 -11.086 2.826 1.00 0.00 H new ATOM 0 HA THR A 75 -8.499 -9.937 1.744 1.00 0.00 H new ATOM 0 HB THR A 75 -9.240 -12.099 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.060 -11.080 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.320 -12.098 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.646 -12.081 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.380 -10.588 5.365 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.450 -8.188 3.703 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.133 -7.025 4.524 1.00 0.00 C ATOM 1104 C VAL A 76 -9.205 -6.793 5.583 1.00 0.00 C ATOM 1105 O VAL A 76 -10.152 -6.038 5.368 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.992 -5.754 3.666 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.740 -5.828 2.804 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.230 -5.552 2.804 1.00 0.00 C ATOM 0 H VAL A 76 -9.381 -8.170 3.287 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.181 -7.232 5.013 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.897 -4.896 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.657 -4.921 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.863 -5.922 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.803 -6.694 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.113 -4.649 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.359 -6.411 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.106 -5.451 3.444 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.048 -7.448 6.729 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.009 -7.300 7.807 1.00 0.00 C ATOM 1120 C GLY A 77 -11.301 -8.046 7.539 1.00 0.00 C ATOM 1121 O GLY A 77 -11.696 -8.915 8.314 1.00 0.00 O ATOM 0 H GLY A 77 -8.272 -8.079 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.568 -7.665 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.227 -6.242 7.952 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.962 -7.705 6.437 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.211 -8.359 6.088 1.00 0.00 C ATOM 1127 C GLY A 78 -13.044 -9.849 5.872 1.00 0.00 C ATOM 1128 O GLY A 78 -11.922 -10.349 5.775 1.00 0.00 O ATOM 0 H GLY A 78 -11.656 -6.988 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.940 -8.189 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.614 -7.906 5.182 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.162 -10.562 5.796 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.135 -12.007 5.590 1.00 0.00 C ATOM 1134 C LEU A 79 -13.843 -12.344 4.131 1.00 0.00 C ATOM 1135 O LEU A 79 -13.359 -13.432 3.822 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.469 -12.626 6.011 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.834 -12.495 7.490 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.275 -12.919 7.724 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.886 -13.322 8.348 1.00 0.00 C ATOM 0 H LEU A 79 -15.098 -10.164 5.874 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.337 -12.423 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.262 -12.167 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.452 -13.685 5.754 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.734 -11.449 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.516 -12.819 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.941 -12.285 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.403 -13.958 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -15.160 -13.217 9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.954 -14.371 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.864 -12.971 8.203 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.138 -11.402 3.241 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.904 -11.600 1.815 1.00 0.00 C ATOM 1153 C GLU A 80 -12.514 -12.178 1.566 1.00 0.00 C ATOM 1154 O GLU A 80 -11.690 -12.259 2.477 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.061 -10.277 1.062 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.493 -9.973 0.657 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.760 -8.486 0.528 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.340 -7.726 1.426 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.388 -8.081 -0.473 1.00 0.00 O ATOM 0 H GLU A 80 -14.539 -10.495 3.481 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.644 -12.310 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.690 -9.466 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.437 -10.301 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.709 -10.461 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.173 -10.398 1.395 1.00 0.00 H new ATOM 1166 N THR A 81 -12.260 -12.580 0.325 1.00 0.00 N ATOM 1167 CA THR A 81 -10.973 -13.153 -0.045 1.00 0.00 C ATOM 1168 C THR A 81 -10.697 -12.971 -1.534 1.00 0.00 C ATOM 1169 O THR A 81 -11.620 -12.795 -2.329 1.00 0.00 O ATOM 1170 CB THR A 81 -10.905 -14.653 0.298 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.906 -15.368 -0.433 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.103 -14.876 1.790 1.00 0.00 C ATOM 0 H THR A 81 -12.930 -12.519 -0.442 1.00 0.00 H new ATOM 0 HA THR A 81 -10.215 -12.622 0.530 1.00 0.00 H new ATOM 0 HB THR A 81 -9.918 -15.023 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.963 -16.287 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.051 -15.943 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.322 -14.354 2.343 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.078 -14.491 2.089 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.421 -13.015 -1.904 1.00 0.00 N ATOM 1181 CA PHE A 82 -9.024 -12.855 -3.298 1.00 0.00 C ATOM 1182 C PHE A 82 -7.968 -13.886 -3.684 1.00 0.00 C ATOM 1183 O PHE A 82 -7.244 -14.398 -2.831 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.486 -11.443 -3.538 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.441 -10.359 -3.127 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.466 -9.898 -1.821 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.315 -9.802 -4.047 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.346 -8.901 -1.441 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.196 -8.805 -3.672 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.211 -8.353 -2.368 1.00 0.00 C ATOM 0 H PHE A 82 -8.645 -13.160 -1.258 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.905 -13.012 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.552 -11.321 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.251 -11.327 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.791 -10.322 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.308 -10.151 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.357 -8.551 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.872 -8.380 -4.399 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.897 -7.573 -2.073 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.887 -14.186 -4.976 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.920 -15.155 -5.476 1.00 0.00 C ATOM 1202 C ASP A 83 -5.502 -14.772 -5.063 1.00 0.00 C ATOM 1203 O ASP A 83 -4.735 -15.611 -4.591 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.010 -15.256 -7.001 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.275 -15.953 -7.461 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -9.374 -15.425 -7.190 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.166 -17.026 -8.090 1.00 0.00 O ATOM 0 H ASP A 83 -8.480 -13.772 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.156 -16.125 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.973 -14.255 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.142 -15.797 -7.378 1.00 0.00 H new ATOM 1212 N SER A 84 -5.162 -13.501 -5.244 1.00 0.00 N ATOM 1213 CA SER A 84 -3.834 -13.008 -4.894 1.00 0.00 C ATOM 1214 C SER A 84 -3.789 -11.483 -4.949 1.00 0.00 C ATOM 1215 O SER A 84 -4.777 -10.833 -5.292 1.00 0.00 O ATOM 1216 CB SER A 84 -2.784 -13.596 -5.837 1.00 0.00 C ATOM 1217 OG SER A 84 -3.119 -13.349 -7.192 1.00 0.00 O ATOM 0 H SER A 84 -5.787 -12.793 -5.631 1.00 0.00 H new ATOM 0 HA SER A 84 -3.613 -13.324 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.809 -13.163 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.701 -14.670 -5.670 1.00 0.00 H new ATOM 0 HG SER A 84 -2.431 -13.734 -7.774 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.634 -10.920 -4.612 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.458 -9.472 -4.623 1.00 0.00 C ATOM 1225 C LEU A 85 -3.056 -8.860 -5.886 1.00 0.00 C ATOM 1226 O LEU A 85 -3.479 -7.703 -5.889 1.00 0.00 O ATOM 1227 CB LEU A 85 -0.972 -9.119 -4.527 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.405 -8.983 -3.113 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.238 -8.008 -2.296 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.348 -10.341 -2.429 1.00 0.00 C ATOM 0 H LEU A 85 -1.806 -11.444 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.981 -9.061 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.402 -9.885 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.807 -8.180 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 85 0.610 -8.591 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.820 -7.924 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.228 -7.030 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.264 -8.371 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.058 -10.225 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.352 -10.760 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.291 -11.011 -3.004 1.00 0.00 H new ATOM 1242 N THR A 86 -3.090 -9.644 -6.959 1.00 0.00 N ATOM 1243 CA THR A 86 -3.637 -9.181 -8.227 1.00 0.00 C ATOM 1244 C THR A 86 -5.155 -9.053 -8.157 1.00 0.00 C ATOM 1245 O THR A 86 -5.718 -8.021 -8.526 1.00 0.00 O ATOM 1246 CB THR A 86 -3.268 -10.133 -9.381 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.847 -10.298 -9.442 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.779 -9.598 -10.710 1.00 0.00 C ATOM 0 H THR A 86 -2.745 -10.604 -6.974 1.00 0.00 H new ATOM 0 HA THR A 86 -3.200 -8.201 -8.420 1.00 0.00 H new ATOM 0 HB THR A 86 -3.739 -11.098 -9.192 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.409 -9.456 -9.196 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.506 -10.287 -11.509 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.864 -9.500 -10.670 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.334 -8.622 -10.905 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.812 -10.104 -7.680 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.265 -10.108 -7.560 1.00 0.00 C ATOM 1258 C ASP A 87 -7.722 -9.148 -6.466 1.00 0.00 C ATOM 1259 O ASP A 87 -8.739 -8.467 -6.606 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.770 -11.520 -7.260 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.281 -11.586 -7.158 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.960 -10.876 -7.931 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.785 -12.346 -6.305 1.00 0.00 O ATOM 0 H ASP A 87 -5.361 -10.965 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.684 -9.775 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.432 -12.198 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.330 -11.869 -6.326 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.965 -9.100 -5.375 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.293 -8.224 -4.255 1.00 0.00 C ATOM 1270 C LEU A 88 -7.110 -6.759 -4.638 1.00 0.00 C ATOM 1271 O LEU A 88 -8.064 -5.980 -4.627 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.416 -8.559 -3.047 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.726 -7.793 -1.760 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.380 -8.635 -0.541 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.970 -6.473 -1.731 1.00 0.00 C ATOM 0 H LEU A 88 -6.121 -9.657 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.339 -8.385 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.507 -9.626 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.376 -8.373 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.794 -7.578 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.607 -8.074 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.966 -9.554 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.318 -8.882 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.202 -5.941 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.898 -6.666 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.267 -5.865 -2.585 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.880 -6.390 -4.978 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.573 -5.019 -5.368 1.00 0.00 C ATOM 1289 C VAL A 89 -6.495 -4.546 -6.486 1.00 0.00 C ATOM 1290 O VAL A 89 -7.205 -3.552 -6.340 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.111 -4.881 -5.830 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.820 -3.453 -6.267 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.159 -5.313 -4.725 1.00 0.00 C ATOM 0 H VAL A 89 -5.079 -7.021 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.728 -4.397 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.957 -5.536 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.782 -3.376 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.478 -3.184 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.991 -2.775 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.130 -5.209 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.313 -4.686 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.351 -6.354 -4.466 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.479 -5.267 -7.604 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.314 -4.921 -8.747 1.00 0.00 C ATOM 1305 C GLU A 90 -8.730 -4.566 -8.300 1.00 0.00 C ATOM 1306 O GLU A 90 -9.222 -3.470 -8.569 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.358 -6.080 -9.745 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.068 -6.258 -10.527 1.00 0.00 C ATOM 1309 CD GLU A 90 -5.947 -5.284 -11.684 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.993 -4.794 -12.159 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -4.807 -5.011 -12.114 1.00 0.00 O ATOM 0 H GLU A 90 -5.897 -6.093 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.876 -4.049 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.578 -7.003 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.177 -5.915 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.220 -6.126 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.017 -7.278 -10.909 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.380 -5.503 -7.616 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.738 -5.291 -7.131 1.00 0.00 C ATOM 1320 C HIS A 91 -10.816 -4.040 -6.261 1.00 0.00 C ATOM 1321 O HIS A 91 -11.887 -3.460 -6.082 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.216 -6.509 -6.340 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.490 -6.272 -5.587 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.716 -5.668 -4.397 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.723 -6.679 -6.050 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.068 -5.719 -4.164 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.654 -6.333 -5.177 1.00 0.00 N flip ATOM 0 H HIS A 91 -8.988 -6.416 -7.386 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.388 -5.151 -7.995 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.359 -7.344 -7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.437 -6.804 -5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.901 -7.199 -6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.571 -5.322 -3.295 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.654 -6.510 -5.270 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.673 -3.631 -5.720 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.612 -2.450 -4.865 1.00 0.00 C ATOM 1338 C PHE A 92 -9.247 -1.211 -5.677 1.00 0.00 C ATOM 1339 O PHE A 92 -9.426 -0.082 -5.220 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.591 -2.659 -3.745 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.187 -3.225 -2.488 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.305 -2.643 -1.912 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.632 -4.341 -1.883 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.855 -3.162 -0.755 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.178 -4.865 -0.727 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.292 -4.275 -0.163 1.00 0.00 C ATOM 0 H PHE A 92 -8.777 -4.099 -5.858 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.598 -2.298 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.807 -3.328 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.116 -1.705 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.752 -1.774 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.762 -4.807 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.725 -2.697 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.734 -5.735 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.722 -4.684 0.740 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.736 -1.430 -6.883 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.345 -0.332 -7.761 1.00 0.00 C ATOM 1358 C LYS A 93 -9.572 0.326 -8.385 1.00 0.00 C ATOM 1359 O LYS A 93 -9.493 1.436 -8.912 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.409 -0.839 -8.860 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.104 -1.407 -8.332 1.00 0.00 C ATOM 1362 CD LYS A 93 -4.981 -1.262 -9.346 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.111 -2.278 -10.471 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.117 -2.035 -11.553 1.00 0.00 N ATOM 0 H LYS A 93 -8.582 -2.359 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.820 0.412 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.923 -1.607 -9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.189 -0.020 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.830 -0.895 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.238 -2.460 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.992 -0.254 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.020 -1.391 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.975 -3.283 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.118 -2.234 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.972 -2.911 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.470 -1.290 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.214 -1.734 -11.134 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.705 -0.365 -8.322 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.949 0.153 -8.879 1.00 0.00 C ATOM 1380 C LYS A 94 -12.896 0.604 -7.772 1.00 0.00 C ATOM 1381 O LYS A 94 -13.603 1.602 -7.913 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.629 -0.912 -9.742 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.854 -2.229 -9.018 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.303 -3.321 -9.974 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.181 -4.347 -9.274 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.602 -3.905 -9.207 1.00 0.00 N ATOM 0 H LYS A 94 -10.787 -1.286 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.707 1.015 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.589 -0.529 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.020 -1.093 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.933 -2.535 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.605 -2.094 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.852 -2.876 -10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.430 -3.817 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.121 -5.298 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.806 -4.519 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.169 -4.630 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.663 -3.010 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.968 -3.765 -10.170 1.00 0.00 H new ATOM 1400 N THR A 95 -12.902 -0.136 -6.667 1.00 0.00 N ATOM 1401 CA THR A 95 -13.761 0.188 -5.535 1.00 0.00 C ATOM 1402 C THR A 95 -13.055 1.122 -4.559 1.00 0.00 C ATOM 1403 O THR A 95 -13.433 2.283 -4.413 1.00 0.00 O ATOM 1404 CB THR A 95 -14.204 -1.082 -4.784 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.064 -1.741 -4.221 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.936 -2.034 -5.718 1.00 0.00 C ATOM 0 H THR A 95 -12.321 -0.964 -6.532 1.00 0.00 H new ATOM 0 HA THR A 95 -14.641 0.687 -5.939 1.00 0.00 H new ATOM 0 HB THR A 95 -14.884 -0.787 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.678 -2.351 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.239 -2.924 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.819 -1.539 -6.123 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.275 -2.322 -6.535 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.026 0.606 -3.893 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.283 1.408 -2.939 1.00 0.00 C ATOM 1416 C GLY A 96 -11.443 0.912 -1.515 1.00 0.00 C ATOM 1417 O GLY A 96 -12.478 0.346 -1.161 1.00 0.00 O ATOM 0 H GLY A 96 -11.694 -0.353 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.226 1.399 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.619 2.443 -3.000 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.417 1.124 -0.698 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.447 0.693 0.694 1.00 0.00 C ATOM 1423 C ILE A 97 -10.903 1.825 1.609 1.00 0.00 C ATOM 1424 O ILE A 97 -10.532 2.981 1.413 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.067 0.194 1.160 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.640 -1.027 0.344 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.097 -0.137 2.644 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.139 -1.181 0.226 1.00 0.00 C ATOM 0 H ILE A 97 -9.554 1.592 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.159 -0.130 0.755 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.337 0.987 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.054 -1.924 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.069 -0.954 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.114 -0.488 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.362 0.756 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.837 -0.916 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.910 -2.067 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.720 -0.301 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.705 -1.286 1.220 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.707 1.482 2.610 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.211 2.470 3.557 1.00 0.00 C ATOM 1442 C GLU A 98 -11.559 2.295 4.925 1.00 0.00 C ATOM 1443 O GLU A 98 -11.709 1.256 5.567 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.732 2.354 3.686 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.314 3.204 4.804 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.809 3.414 4.658 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.501 2.469 4.224 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.286 4.522 4.979 1.00 0.00 O ATOM 0 H GLU A 98 -12.023 0.528 2.786 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.959 3.461 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.192 2.646 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.995 1.311 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.110 2.727 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.814 4.173 4.817 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.835 3.320 5.364 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.159 3.279 6.656 1.00 0.00 C ATOM 1457 C GLU A 99 -11.096 3.719 7.775 1.00 0.00 C ATOM 1458 O GLU A 99 -11.909 4.627 7.598 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.917 4.173 6.634 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.946 3.839 5.514 1.00 0.00 C ATOM 1461 CD GLU A 99 -8.266 4.571 4.225 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -9.230 4.170 3.539 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -7.554 5.545 3.904 1.00 0.00 O ATOM 0 H GLU A 99 -10.702 4.188 4.845 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.854 2.250 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.230 5.212 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.400 4.086 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.934 4.092 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.964 2.765 5.331 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.977 3.070 8.929 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.813 3.394 10.078 1.00 0.00 C ATOM 1472 C ALA A 100 -12.030 4.900 10.190 1.00 0.00 C ATOM 1473 O ALA A 100 -13.160 5.381 10.110 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.188 2.852 11.354 1.00 0.00 C ATOM 0 H ALA A 100 -10.309 2.316 9.093 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.785 2.923 9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.823 3.101 12.204 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.090 1.769 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.203 3.297 11.494 1.00 0.00 H new ATOM 1480 N SER A 101 -10.941 5.637 10.379 1.00 0.00 N ATOM 1481 CA SER A 101 -11.013 7.087 10.508 1.00 0.00 C ATOM 1482 C SER A 101 -12.097 7.661 9.602 1.00 0.00 C ATOM 1483 O SER A 101 -12.797 8.603 9.971 1.00 0.00 O ATOM 1484 CB SER A 101 -9.661 7.719 10.166 1.00 0.00 C ATOM 1485 OG SER A 101 -9.351 7.549 8.794 1.00 0.00 O ATOM 0 H SER A 101 -9.998 5.254 10.446 1.00 0.00 H new ATOM 0 HA SER A 101 -11.266 7.322 11.542 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.681 8.781 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.880 7.267 10.777 1.00 0.00 H new ATOM 0 HG SER A 101 -8.484 7.963 8.601 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.232 7.083 8.412 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.234 7.548 7.470 1.00 0.00 C ATOM 1493 C GLY A 102 -12.631 7.982 6.149 1.00 0.00 C ATOM 1494 O GLY A 102 -13.242 8.744 5.401 1.00 0.00 O ATOM 0 H GLY A 102 -11.665 6.301 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.957 6.752 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.780 8.383 7.908 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.427 7.497 5.863 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.741 7.840 4.623 1.00 0.00 C ATOM 1500 C ALA A 103 -10.939 6.755 3.569 1.00 0.00 C ATOM 1501 O ALA A 103 -11.220 5.602 3.896 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.258 8.061 4.884 1.00 0.00 C ATOM 0 H ALA A 103 -10.907 6.866 6.473 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.173 8.765 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.758 8.316 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.132 8.875 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.821 7.150 5.292 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.790 7.133 2.303 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.954 6.193 1.202 1.00 0.00 C ATOM 1510 C PHE A 104 -9.728 6.200 0.293 1.00 0.00 C ATOM 1511 O PHE A 104 -9.507 7.146 -0.464 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.205 6.538 0.391 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.441 5.827 0.863 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.762 4.570 0.374 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.281 6.413 1.795 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.899 3.914 0.806 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.419 5.761 2.232 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.727 4.510 1.736 1.00 0.00 C ATOM 0 H PHE A 104 -10.556 8.083 2.015 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.066 5.194 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.374 7.614 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.030 6.289 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.117 4.098 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -14.044 7.392 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.140 2.936 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.065 6.229 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.615 3.998 2.075 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.932 5.138 0.375 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.728 5.021 -0.439 1.00 0.00 C ATOM 1530 C VAL A 105 -8.070 4.640 -1.875 1.00 0.00 C ATOM 1531 O VAL A 105 -8.881 3.745 -2.114 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.759 3.975 0.141 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.595 3.740 -0.809 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.260 4.411 1.510 1.00 0.00 C ATOM 0 H VAL A 105 -9.099 4.347 0.997 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.244 5.998 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.297 3.034 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.921 2.998 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.973 3.379 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.056 4.675 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.576 3.659 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.739 5.364 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.107 4.522 2.187 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.447 5.325 -2.827 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.688 5.060 -4.241 1.00 0.00 C ATOM 1546 C TYR A 106 -6.407 4.606 -4.934 1.00 0.00 C ATOM 1547 O TYR A 106 -5.344 5.203 -4.756 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.239 6.310 -4.929 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.527 6.818 -4.322 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.526 5.937 -3.926 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.746 8.178 -4.145 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.704 6.396 -3.371 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.920 8.646 -3.589 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.897 7.752 -3.204 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.070 8.213 -2.652 1.00 0.00 O ATOM 0 H TYR A 106 -6.772 6.068 -2.646 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.424 4.259 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.489 7.100 -4.883 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.406 6.090 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.378 4.875 -4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.985 8.882 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.470 5.697 -3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.072 9.707 -3.456 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.046 9.191 -2.603 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.517 3.547 -5.728 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.368 3.010 -6.451 1.00 0.00 C ATOM 1567 C LEU A 107 -5.534 3.205 -7.956 1.00 0.00 C ATOM 1568 O LEU A 107 -6.146 2.381 -8.634 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.188 1.525 -6.134 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.302 1.135 -4.659 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.752 0.865 -4.290 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.438 -0.081 -4.361 1.00 0.00 C ATOM 0 H LEU A 107 -7.389 3.043 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.480 3.553 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.932 0.961 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.209 1.212 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.943 1.967 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.814 0.589 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.345 1.762 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.138 0.050 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.531 -0.344 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.766 -0.920 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.397 0.148 -4.587 1.00 0.00 H new ATOM 1584 N ARG A 108 -4.980 4.298 -8.470 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.065 4.599 -9.894 1.00 0.00 C ATOM 1586 C ARG A 108 -3.870 4.018 -10.645 1.00 0.00 C ATOM 1587 O ARG A 108 -4.030 3.387 -11.690 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.133 6.111 -10.114 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.245 6.792 -9.333 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.440 8.232 -9.780 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.243 8.323 -10.997 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.725 8.316 -12.220 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -5.413 8.221 -12.388 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.520 8.402 -13.279 1.00 0.00 N ATOM 0 H ARG A 108 -4.468 4.989 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.974 4.141 -10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.178 6.554 -9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.273 6.309 -11.177 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.175 6.240 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.010 6.769 -8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.924 8.797 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.467 8.693 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.256 8.396 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.799 8.153 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.018 8.216 -13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.530 8.474 -13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.121 8.397 -14.218 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.676 4.236 -10.105 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.455 3.735 -10.725 1.00 0.00 C ATOM 1610 C GLN A 109 -0.480 3.222 -9.671 1.00 0.00 C ATOM 1611 O GLN A 109 -0.337 3.795 -8.591 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.793 4.834 -11.558 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.241 5.980 -10.724 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.296 7.013 -10.383 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.370 7.042 -10.983 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.994 7.870 -9.413 1.00 0.00 N ATOM 0 H GLN A 109 -2.528 4.756 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.724 2.905 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.017 4.398 -12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.520 5.229 -12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.184 5.582 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.572 6.462 -11.268 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.091 7.810 -8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.665 8.588 -9.140 1.00 0.00 H new ATOM 1625 N PRO A 110 0.208 2.115 -9.990 1.00 0.00 N ATOM 1626 CA PRO A 110 1.182 1.500 -9.082 1.00 0.00 C ATOM 1627 C PRO A 110 2.436 2.350 -8.917 1.00 0.00 C ATOM 1628 O PRO A 110 2.444 3.534 -9.253 1.00 0.00 O ATOM 1629 CB PRO A 110 1.521 0.176 -9.771 1.00 0.00 C ATOM 1630 CG PRO A 110 1.243 0.417 -11.214 1.00 0.00 C ATOM 1631 CD PRO A 110 0.088 1.379 -11.260 1.00 0.00 C ATOM 0 HA PRO A 110 0.783 1.383 -8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.563 -0.099 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.912 -0.640 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.117 0.833 -11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.996 -0.514 -11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.155 2.046 -12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.867 0.858 -11.334 1.00 0.00 H new ATOM 1639 N TYR A 111 3.495 1.739 -8.396 1.00 0.00 N ATOM 1640 CA TYR A 111 4.755 2.441 -8.184 1.00 0.00 C ATOM 1641 C TYR A 111 5.936 1.592 -8.644 1.00 0.00 C ATOM 1642 O TYR A 111 6.236 0.554 -8.055 1.00 0.00 O ATOM 1643 CB TYR A 111 4.918 2.804 -6.707 1.00 0.00 C ATOM 1644 CG TYR A 111 6.203 3.541 -6.402 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.347 4.886 -6.722 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.273 2.894 -5.797 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.519 5.564 -6.447 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.448 3.564 -5.517 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.566 4.899 -5.844 1.00 0.00 C ATOM 1650 OH TYR A 111 9.735 5.570 -5.568 1.00 0.00 O ATOM 0 H TYR A 111 3.505 0.759 -8.113 1.00 0.00 H new ATOM 0 HA TYR A 111 4.736 3.356 -8.776 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.074 3.420 -6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.882 1.892 -6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.529 5.410 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.185 1.849 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.615 6.609 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.270 3.046 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 111 9.555 6.293 -4.932 1.00 0.00 H new ATOM 1660 N TYR A 112 6.603 2.043 -9.701 1.00 0.00 N ATOM 1661 CA TYR A 112 7.751 1.325 -10.243 1.00 0.00 C ATOM 1662 C TYR A 112 9.058 1.981 -9.808 1.00 0.00 C ATOM 1663 O TYR A 112 9.431 3.041 -10.309 1.00 0.00 O ATOM 1664 CB TYR A 112 7.674 1.278 -11.770 1.00 0.00 C ATOM 1665 CG TYR A 112 6.316 0.874 -12.296 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.553 -0.086 -11.641 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.795 1.452 -13.447 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.312 -0.459 -12.119 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.554 1.085 -13.931 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.816 0.130 -13.263 1.00 0.00 C ATOM 1671 OH TYR A 112 2.580 -0.238 -13.742 1.00 0.00 O ATOM 0 H TYR A 112 6.369 2.902 -10.199 1.00 0.00 H new ATOM 0 HA TYR A 112 7.729 0.307 -9.853 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.931 2.259 -12.169 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.421 0.577 -12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.937 -0.548 -10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.370 2.201 -13.972 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.733 -1.208 -11.599 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.164 1.543 -14.828 1.00 0.00 H new ATOM 0 HH TYR A 112 2.379 0.272 -14.554 1.00 0.00 H new ATOM 1681 N SER A 113 9.751 1.340 -8.872 1.00 0.00 N ATOM 1682 CA SER A 113 11.015 1.861 -8.365 1.00 0.00 C ATOM 1683 C SER A 113 11.941 2.251 -9.514 1.00 0.00 C ATOM 1684 O SER A 113 12.362 3.401 -9.623 1.00 0.00 O ATOM 1685 CB SER A 113 11.700 0.820 -7.476 1.00 0.00 C ATOM 1686 OG SER A 113 12.942 1.301 -6.993 1.00 0.00 O ATOM 0 H SER A 113 9.458 0.459 -8.449 1.00 0.00 H new ATOM 0 HA SER A 113 10.802 2.751 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.051 0.571 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.857 -0.099 -8.041 1.00 0.00 H new ATOM 0 HG SER A 113 13.359 0.619 -6.426 1.00 0.00 H new ATOM 1692 N GLY A 114 12.252 1.283 -10.371 1.00 0.00 N ATOM 1693 CA GLY A 114 13.125 1.545 -11.500 1.00 0.00 C ATOM 1694 C GLY A 114 14.068 0.392 -11.784 1.00 0.00 C ATOM 1695 O GLY A 114 14.522 -0.304 -10.876 1.00 0.00 O ATOM 0 H GLY A 114 11.915 0.323 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.520 1.742 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.706 2.446 -11.304 1.00 0.00 H new ATOM 1699 N PRO A 115 14.373 0.175 -13.072 1.00 0.00 N ATOM 1700 CA PRO A 115 15.269 -0.902 -13.503 1.00 0.00 C ATOM 1701 C PRO A 115 16.717 -0.646 -13.101 1.00 0.00 C ATOM 1702 O PRO A 115 17.484 -0.045 -13.854 1.00 0.00 O ATOM 1703 CB PRO A 115 15.128 -0.892 -15.027 1.00 0.00 C ATOM 1704 CG PRO A 115 14.710 0.498 -15.361 1.00 0.00 C ATOM 1705 CD PRO A 115 13.867 0.966 -14.207 1.00 0.00 C ATOM 0 HA PRO A 115 15.010 -1.856 -13.043 1.00 0.00 H new ATOM 0 HB2 PRO A 115 16.069 -1.150 -15.513 1.00 0.00 H new ATOM 0 HB3 PRO A 115 14.387 -1.619 -15.361 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.577 1.144 -15.498 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.144 0.522 -16.292 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.981 2.036 -14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 115 12.807 0.783 -14.383 1.00 0.00 H new ATOM 1713 N SER A 116 17.086 -1.107 -11.910 1.00 0.00 N ATOM 1714 CA SER A 116 18.442 -0.925 -11.407 1.00 0.00 C ATOM 1715 C SER A 116 18.899 -2.150 -10.620 1.00 0.00 C ATOM 1716 O SER A 116 18.122 -2.748 -9.874 1.00 0.00 O ATOM 1717 CB SER A 116 18.518 0.320 -10.521 1.00 0.00 C ATOM 1718 OG SER A 116 18.715 1.488 -11.300 1.00 0.00 O ATOM 0 H SER A 116 16.465 -1.609 -11.276 1.00 0.00 H new ATOM 0 HA SER A 116 19.105 -0.795 -12.262 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.599 0.415 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 116 19.335 0.213 -9.807 1.00 0.00 H new ATOM 0 HG SER A 116 18.396 1.330 -12.213 1.00 0.00 H new ATOM 1724 N SER A 117 20.164 -2.518 -10.792 1.00 0.00 N ATOM 1725 CA SER A 117 20.725 -3.674 -10.102 1.00 0.00 C ATOM 1726 C SER A 117 21.785 -3.244 -9.093 1.00 0.00 C ATOM 1727 O SER A 117 22.942 -3.653 -9.179 1.00 0.00 O ATOM 1728 CB SER A 117 21.332 -4.653 -11.110 1.00 0.00 C ATOM 1729 OG SER A 117 20.375 -5.043 -12.081 1.00 0.00 O ATOM 0 H SER A 117 20.820 -2.032 -11.403 1.00 0.00 H new ATOM 0 HA SER A 117 19.917 -4.171 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 117 22.187 -4.190 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 117 21.704 -5.534 -10.587 1.00 0.00 H new ATOM 0 HG SER A 117 20.787 -5.667 -12.714 1.00 0.00 H new ATOM 1735 N GLY A 118 21.380 -2.414 -8.136 1.00 0.00 N ATOM 1736 CA GLY A 118 22.306 -1.941 -7.125 1.00 0.00 C ATOM 1737 C GLY A 118 22.168 -2.692 -5.815 1.00 0.00 C ATOM 1738 O GLY A 118 21.355 -3.612 -5.735 1.00 0.00 O ATOM 0 H GLY A 118 20.427 -2.061 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 118 23.326 -2.045 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 118 22.137 -0.878 -6.951 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 7.537 12.621 14.414 1.00 0.00 N ATOM 1744 CA MET B 1 8.290 11.723 13.545 1.00 0.00 C ATOM 1745 C MET B 1 8.267 10.297 14.088 1.00 0.00 C ATOM 1746 O MET B 1 8.234 10.085 15.300 1.00 0.00 O ATOM 1747 CB MET B 1 9.735 12.206 13.407 1.00 0.00 C ATOM 1748 CG MET B 1 10.461 12.339 14.735 1.00 0.00 C ATOM 1749 SD MET B 1 12.161 12.906 14.543 1.00 0.00 S ATOM 1750 CE MET B 1 12.120 14.427 15.489 1.00 0.00 C ATOM 0 H1 MET B 1 8.014 13.544 14.456 1.00 0.00 H new ATOM 0 H2 MET B 1 6.576 12.744 14.037 1.00 0.00 H new ATOM 0 H3 MET B 1 7.484 12.215 15.370 1.00 0.00 H new ATOM 0 HA MET B 1 7.818 11.727 12.562 1.00 0.00 H new ATOM 0 HB2 MET B 1 10.283 11.510 12.771 1.00 0.00 H new ATOM 0 HB3 MET B 1 9.740 13.172 12.901 1.00 0.00 H new ATOM 0 HG2 MET B 1 9.919 13.037 15.373 1.00 0.00 H new ATOM 0 HG3 MET B 1 10.459 11.375 15.244 1.00 0.00 H new ATOM 0 HE1 MET B 1 13.103 14.897 15.465 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.383 15.104 15.057 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.848 14.206 16.521 1.00 0.00 H new ATOM 1760 N ASP B 2 8.285 9.324 13.184 1.00 0.00 N ATOM 1761 CA ASP B 2 8.267 7.919 13.571 1.00 0.00 C ATOM 1762 C ASP B 2 9.376 7.146 12.865 1.00 0.00 C ATOM 1763 O ASP B 2 9.443 7.120 11.636 1.00 0.00 O ATOM 1764 CB ASP B 2 6.908 7.295 13.248 1.00 0.00 C ATOM 1765 CG ASP B 2 6.595 6.103 14.129 1.00 0.00 C ATOM 1766 OD1 ASP B 2 7.474 5.229 14.279 1.00 0.00 O ATOM 1767 OD2 ASP B 2 5.469 6.042 14.667 1.00 0.00 O ATOM 0 H ASP B 2 8.312 9.483 12.177 1.00 0.00 H new ATOM 0 HA ASP B 2 8.437 7.863 14.646 1.00 0.00 H new ATOM 0 HB2 ASP B 2 6.128 8.047 13.369 1.00 0.00 H new ATOM 0 HB3 ASP B 2 6.893 6.985 12.203 1.00 0.00 H new ATOM 1772 N ASN B 3 10.247 6.519 13.650 1.00 0.00 N ATOM 1773 CA ASN B 3 11.355 5.746 13.099 1.00 0.00 C ATOM 1774 C ASN B 3 11.134 4.252 13.310 1.00 0.00 C ATOM 1775 O ASN B 3 11.207 3.465 12.367 1.00 0.00 O ATOM 1776 CB ASN B 3 12.673 6.176 13.745 1.00 0.00 C ATOM 1777 CG ASN B 3 12.671 5.978 15.249 1.00 0.00 C ATOM 1778 OD1 ASN B 3 12.836 4.861 15.739 1.00 0.00 O ATOM 1779 ND2 ASN B 3 12.485 7.065 15.987 1.00 0.00 N ATOM 0 H ASN B 3 10.207 6.531 14.669 1.00 0.00 H new ATOM 0 HA ASN B 3 11.404 5.939 12.027 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.492 5.606 13.307 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.859 7.226 13.520 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.475 6.995 17.005 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.352 7.971 15.537 1.00 0.00 H new ATOM 1786 N GLN B 4 10.864 3.870 14.555 1.00 0.00 N ATOM 1787 CA GLN B 4 10.633 2.470 14.890 1.00 0.00 C ATOM 1788 C GLN B 4 9.825 1.774 13.799 1.00 0.00 C ATOM 1789 O GLN B 4 10.150 0.663 13.385 1.00 0.00 O ATOM 1790 CB GLN B 4 9.904 2.357 16.230 1.00 0.00 C ATOM 1791 CG GLN B 4 10.095 1.014 16.916 1.00 0.00 C ATOM 1792 CD GLN B 4 9.791 -0.157 16.002 1.00 0.00 C ATOM 1793 OE1 GLN B 4 10.687 -0.907 15.617 1.00 0.00 O ATOM 1794 NE2 GLN B 4 8.521 -0.319 15.652 1.00 0.00 N ATOM 0 H GLN B 4 10.800 4.510 15.347 1.00 0.00 H new ATOM 0 HA GLN B 4 11.602 1.978 14.969 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.256 3.147 16.893 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.839 2.526 16.070 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.122 0.935 17.272 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.449 0.963 17.793 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.811 0.328 15.995 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.255 -1.090 15.040 1.00 0.00 H new ATOM 1803 N GLY B 5 8.770 2.438 13.337 1.00 0.00 N ATOM 1804 CA GLY B 5 7.932 1.869 12.298 1.00 0.00 C ATOM 1805 C GLY B 5 6.884 2.843 11.799 1.00 0.00 C ATOM 1806 O GLY B 5 6.787 3.968 12.290 1.00 0.00 O ATOM 0 H GLY B 5 8.481 3.360 13.664 1.00 0.00 H new ATOM 0 HA2 GLY B 5 8.558 1.554 11.463 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.439 0.976 12.682 1.00 0.00 H new ATOM 1810 N VAL B 6 6.098 2.413 10.817 1.00 0.00 N ATOM 1811 CA VAL B 6 5.052 3.256 10.250 1.00 0.00 C ATOM 1812 C VAL B 6 3.673 2.814 10.723 1.00 0.00 C ATOM 1813 O VAL B 6 3.393 1.618 10.822 1.00 0.00 O ATOM 1814 CB VAL B 6 5.086 3.234 8.710 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.510 3.409 8.205 1.00 0.00 C ATOM 1816 CG2 VAL B 6 4.480 1.942 8.183 1.00 0.00 C ATOM 0 H VAL B 6 6.166 1.486 10.398 1.00 0.00 H new ATOM 0 HA VAL B 6 5.243 4.272 10.596 1.00 0.00 H new ATOM 0 HB VAL B 6 4.489 4.067 8.338 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.514 3.391 7.115 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.905 4.363 8.554 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.133 2.598 8.584 1.00 0.00 H new ATOM 0 HG21 VAL B 6 4.512 1.943 7.093 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.048 1.093 8.562 1.00 0.00 H new ATOM 0 HG23 VAL B 6 3.445 1.863 8.515 1.00 0.00 H new ATOM 1826 N ILE B 7 2.813 3.785 11.014 1.00 0.00 N ATOM 1827 CA ILE B 7 1.461 3.495 11.476 1.00 0.00 C ATOM 1828 C ILE B 7 0.642 2.816 10.385 1.00 0.00 C ATOM 1829 O ILE B 7 0.939 2.947 9.197 1.00 0.00 O ATOM 1830 CB ILE B 7 0.734 4.775 11.926 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.567 5.522 12.970 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.641 4.435 12.483 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.546 4.873 14.336 1.00 0.00 C ATOM 0 H ILE B 7 3.029 4.779 10.938 1.00 0.00 H new ATOM 0 HA ILE B 7 1.556 2.822 12.328 1.00 0.00 H new ATOM 0 HB ILE B 7 0.604 5.424 11.060 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.598 5.586 12.623 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.196 6.543 13.056 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.143 5.350 12.797 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.234 3.942 11.713 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.532 3.769 13.339 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.157 5.456 15.025 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.521 4.834 14.704 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.945 3.861 14.264 1.00 0.00 H new HETATM 1845 N PTR B 8 -0.392 2.089 10.795 1.00 0.00 N HETATM 1846 CA PTR B 8 -1.256 1.388 9.852 1.00 0.00 C HETATM 1847 C PTR B 8 -2.719 1.763 10.070 1.00 0.00 C HETATM 1848 O PTR B 8 -3.289 1.493 11.128 1.00 0.00 O HETATM 1849 CB PTR B 8 -1.079 -0.125 9.994 1.00 0.00 C HETATM 1850 CG PTR B 8 0.212 -0.641 9.400 1.00 0.00 C HETATM 1851 CD1 PTR B 8 0.203 -1.503 8.311 1.00 0.00 C HETATM 1852 CD2 PTR B 8 1.442 -0.267 9.928 1.00 0.00 C HETATM 1853 CE1 PTR B 8 1.380 -1.978 7.765 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.624 -0.737 9.388 1.00 0.00 C HETATM 1855 CZ PTR B 8 2.588 -1.592 8.307 1.00 0.00 C HETATM 1856 OH PTR B 8 3.763 -2.062 7.767 1.00 0.00 O HETATM 1857 P PTR B 8 4.847 -2.939 8.552 1.00 0.00 P HETATM 1858 O1P PTR B 8 5.028 -2.412 9.924 1.00 0.00 O HETATM 1859 O2P PTR B 8 4.397 -4.346 8.633 1.00 0.00 O HETATM 1860 O3P PTR B 8 6.146 -2.890 7.844 1.00 0.00 O HETATM 0 HE2 PTR B 8 3.580 -0.433 9.815 1.00 0.00 H new HETATM 0 HE1 PTR B 8 1.354 -2.654 6.910 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.475 0.409 10.783 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -0.750 -1.810 7.879 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.114 -0.389 11.051 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.918 -0.627 9.512 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.970 1.688 8.844 1.00 0.00 H new ATOM 1869 N SER B 9 -3.320 2.386 9.061 1.00 0.00 N ATOM 1870 CA SER B 9 -4.716 2.800 9.143 1.00 0.00 C ATOM 1871 C SER B 9 -5.649 1.604 8.984 1.00 0.00 C ATOM 1872 O SER B 9 -5.795 1.058 7.890 1.00 0.00 O ATOM 1873 CB SER B 9 -5.022 3.846 8.070 1.00 0.00 C ATOM 1874 OG SER B 9 -4.694 5.150 8.519 1.00 0.00 O ATOM 0 H SER B 9 -2.863 2.615 8.178 1.00 0.00 H new ATOM 0 HA SER B 9 -4.882 3.238 10.127 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.460 3.618 7.165 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.079 3.804 7.808 1.00 0.00 H new ATOM 0 HG SER B 9 -4.897 5.800 7.814 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.277 1.202 10.083 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.198 0.070 10.067 1.00 0.00 C ATOM 1882 C ASP B 10 -8.372 0.337 9.131 1.00 0.00 C ATOM 1883 O ASP B 10 -8.463 1.405 8.522 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.710 -0.218 11.478 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.856 -1.236 12.208 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -6.393 -2.195 11.558 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.653 -1.073 13.430 1.00 0.00 O ATOM 0 H ASP B 10 -6.166 1.642 10.996 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.656 -0.802 9.701 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.732 0.710 12.050 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.736 -0.582 11.422 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.267 -0.637 9.019 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.436 -0.508 8.156 1.00 0.00 C ATOM 1894 C LEU B 11 -11.705 -0.327 8.981 1.00 0.00 C ATOM 1895 O LEU B 11 -11.651 -0.212 10.205 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.570 -1.739 7.257 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.604 -1.814 6.075 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.292 -1.122 6.411 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.356 -3.264 5.680 1.00 0.00 C ATOM 0 H LEU B 11 -9.206 -1.526 9.515 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.300 0.376 7.533 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.432 -2.629 7.871 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.589 -1.773 6.871 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.057 -1.298 5.228 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.618 -1.186 5.557 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.483 -0.075 6.645 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.834 -1.609 7.272 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.666 -3.299 4.837 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.925 -3.802 6.524 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.299 -3.730 5.396 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.848 -0.304 8.303 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.132 -0.138 8.974 1.00 0.00 C ATOM 1913 C ASN B 12 -14.679 -1.484 9.443 1.00 0.00 C ATOM 1914 O ASN B 12 -14.998 -1.661 10.619 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.138 0.534 8.038 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.823 -0.456 7.116 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -15.094 -0.929 6.111 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.991 -0.793 7.306 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.911 -0.398 7.289 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.977 0.497 9.847 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.890 1.054 8.631 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.626 1.288 7.440 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.513 -0.404 8.091 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.437 -1.462 6.678 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.782 -2.429 8.515 1.00 0.00 N ATOM 1926 CA LEU B 13 -15.289 -3.760 8.832 1.00 0.00 C ATOM 1927 C LEU B 13 -14.755 -4.240 10.178 1.00 0.00 C ATOM 1928 O LEU B 13 -15.506 -4.660 11.058 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.900 -4.751 7.734 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.723 -4.164 6.334 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -13.301 -3.659 6.143 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -15.069 -5.200 5.274 1.00 0.00 C ATOM 0 H LEU B 13 -14.521 -2.299 7.538 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.376 -3.702 8.892 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.968 -5.236 8.024 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.663 -5.528 7.687 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.404 -3.320 6.226 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -13.194 -3.245 5.141 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.088 -2.885 6.880 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.601 -4.485 6.271 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.937 -4.765 4.283 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.413 -6.063 5.381 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -16.105 -5.515 5.397 1.00 0.00 H new ATOM 1944 N PRO B 14 -13.425 -4.174 10.346 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.761 -4.594 11.583 1.00 0.00 C ATOM 1946 C PRO B 14 -13.052 -3.652 12.747 1.00 0.00 C ATOM 1947 O PRO B 14 -13.357 -2.474 12.561 1.00 0.00 O ATOM 1948 CB PRO B 14 -11.275 -4.551 11.220 1.00 0.00 C ATOM 1949 CG PRO B 14 -11.184 -3.560 10.111 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.469 -3.682 9.339 1.00 0.00 C ATOM 0 HA PRO B 14 -13.105 -5.573 11.917 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.668 -4.247 12.073 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.916 -5.531 10.906 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -11.057 -2.550 10.500 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -10.325 -3.766 9.473 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.781 -2.724 8.923 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.372 -4.376 8.504 1.00 0.00 H new ATOM 1958 N PRO B 15 -12.957 -4.181 13.975 1.00 0.00 N ATOM 1959 CA PRO B 15 -13.205 -3.405 15.193 1.00 0.00 C ATOM 1960 C PRO B 15 -12.119 -2.365 15.449 1.00 0.00 C ATOM 1961 O PRO B 15 -12.371 -1.162 15.386 1.00 0.00 O ATOM 1962 CB PRO B 15 -13.203 -4.465 16.297 1.00 0.00 C ATOM 1963 CG PRO B 15 -12.367 -5.573 15.756 1.00 0.00 C ATOM 1964 CD PRO B 15 -12.599 -5.579 14.270 1.00 0.00 C ATOM 0 HA PRO B 15 -14.133 -2.837 15.132 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -12.786 -4.071 17.224 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.214 -4.805 16.521 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -11.313 -5.415 15.986 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -12.650 -6.528 16.199 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -11.707 -5.889 13.725 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.398 -6.266 13.991 1.00 0.00 H new TER 1972 PRO B 15