USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 30:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= -0.5 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.24) USER MOD Set 2.2: A 55 THR OG1 : rot -160:sc= 0 USER MOD Set 3.1: A 40 THR OG1 : rot 89:sc= 0.00139 USER MOD Set 3.2: A 75 GLN : amide:sc= 0.56 K(o=0.56,f=-5.8!) USER MOD Set 4.1: A 18 TYR OH : rot 161:sc= 1.52 USER MOD Set 4.2: A 27 HIS : no HE2:sc= 0.0708 K(o=-1.3,f=-6.6!) USER MOD Set 4.3: A 28 GLN :FLIP amide:sc= -2.85! C(o=-3.6!,f=-1.3!) USER MOD Set 5.1: A 7 SER OG : rot -4:sc= 0.963 USER MOD Set 5.2: A 13 ASN : amide:sc= -9.06! C(o=-8.1!,f=-11!) USER MOD Single : A 1 SER N :NH3+ -141:sc= -2.82 (180deg=-4.72!) USER MOD Single : A 1 SER OG : rot 40:sc= -0.512 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.511 F(o=-1.1,f=-0.51) USER MOD Single : A 19 SER OG : rot 180:sc=0.000195 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 130:sc= 0.468 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= -1.06 (180deg=-1.22) USER MOD Single : A 32 TYR OH : rot -111:sc= 0.454 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.000482 USER MOD Single : A 39 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.8) USER MOD Single : A 44 TYR OH : rot 176:sc= -0.926 USER MOD Single : A 45 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.8) USER MOD Single : A 46 GLN :FLIP amide:sc= -4.99! C(o=-6.2!,f=-5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0545 F(o=-1.6,f=-0.055) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 87:sc= 0.347 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.168 -4.499 1.033 1.00 0.00 N ATOM 2 CA SER A 1 -8.884 -3.758 0.912 1.00 0.00 C ATOM 3 C SER A 1 -7.677 -4.694 1.011 1.00 0.00 C ATOM 4 O SER A 1 -7.587 -5.491 1.927 1.00 0.00 O ATOM 5 CB SER A 1 -8.756 -2.719 2.015 1.00 0.00 C ATOM 6 OG SER A 1 -8.899 -3.450 3.228 1.00 0.00 O ATOM 0 H1 SER A 1 -10.864 -4.098 0.372 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.013 -5.502 0.807 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.527 -4.415 2.006 1.00 0.00 H new ATOM 0 HA SER A 1 -8.895 -3.279 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.792 -2.213 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.524 -1.951 1.924 1.00 0.00 H new ATOM 0 HG SER A 1 -8.430 -4.307 3.151 1.00 0.00 H new ATOM 11 N ALA A 2 -6.785 -4.567 0.062 1.00 0.00 N ATOM 12 CA ALA A 2 -5.562 -5.422 0.062 1.00 0.00 C ATOM 13 C ALA A 2 -4.458 -4.795 -0.792 1.00 0.00 C ATOM 14 O ALA A 2 -4.427 -4.977 -1.994 1.00 0.00 O ATOM 15 CB ALA A 2 -5.932 -6.813 -0.479 1.00 0.00 C ATOM 0 H ALA A 2 -6.852 -3.907 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.183 -5.509 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.047 -7.449 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.695 -7.260 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.317 -6.718 -1.494 1.00 0.00 H new ATOM 21 N PHE A 3 -3.588 -4.067 -0.131 1.00 0.00 N ATOM 22 CA PHE A 3 -2.455 -3.399 -0.830 1.00 0.00 C ATOM 23 C PHE A 3 -1.296 -4.379 -1.049 1.00 0.00 C ATOM 24 O PHE A 3 -0.508 -4.625 -0.158 1.00 0.00 O ATOM 25 CB PHE A 3 -2.011 -2.219 0.032 1.00 0.00 C ATOM 26 CG PHE A 3 -0.821 -1.487 -0.611 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.033 -0.553 -1.607 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.474 -1.749 -0.201 1.00 0.00 C ATOM 29 CE1 PHE A 3 0.030 0.107 -2.183 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.536 -1.090 -0.779 1.00 0.00 C ATOM 31 CZ PHE A 3 1.314 -0.163 -1.768 1.00 0.00 C ATOM 0 H PHE A 3 -3.620 -3.908 0.876 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.771 -3.051 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.842 -1.526 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.732 -2.573 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.039 -0.339 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.653 -2.475 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.144 0.836 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.544 -1.302 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.147 0.354 -2.220 1.00 0.00 H new ATOM 41 N THR A 4 -1.233 -4.910 -2.241 1.00 0.00 N ATOM 42 CA THR A 4 -0.151 -5.871 -2.582 1.00 0.00 C ATOM 43 C THR A 4 1.047 -5.007 -2.986 1.00 0.00 C ATOM 44 O THR A 4 0.879 -3.902 -3.465 1.00 0.00 O ATOM 45 CB THR A 4 -0.627 -6.753 -3.741 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.810 -7.370 -3.251 1.00 0.00 O ATOM 47 CG2 THR A 4 0.339 -7.926 -3.982 1.00 0.00 C ATOM 0 H THR A 4 -1.891 -4.716 -2.996 1.00 0.00 H new ATOM 0 HA THR A 4 0.116 -6.533 -1.758 1.00 0.00 H new ATOM 0 HB THR A 4 -0.729 -6.157 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.183 -7.957 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.026 -8.533 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.329 -7.539 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.400 -8.538 -3.082 1.00 0.00 H new ATOM 55 N VAL A 5 2.224 -5.533 -2.779 1.00 0.00 N ATOM 56 CA VAL A 5 3.468 -4.786 -3.129 1.00 0.00 C ATOM 57 C VAL A 5 4.691 -5.691 -3.200 1.00 0.00 C ATOM 58 O VAL A 5 4.828 -6.664 -2.481 1.00 0.00 O ATOM 59 CB VAL A 5 3.678 -3.657 -2.093 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.436 -4.151 -0.691 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.076 -3.021 -2.165 1.00 0.00 C ATOM 0 H VAL A 5 2.379 -6.458 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 5 3.346 -4.362 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 5 2.948 -2.889 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.591 -3.335 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.412 -4.515 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.129 -4.962 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.158 -2.237 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.833 -3.783 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.230 -2.592 -3.155 1.00 0.00 H new ATOM 71 N TRP A 6 5.537 -5.292 -4.105 1.00 0.00 N ATOM 72 CA TRP A 6 6.812 -5.994 -4.377 1.00 0.00 C ATOM 73 C TRP A 6 7.943 -4.965 -4.220 1.00 0.00 C ATOM 74 O TRP A 6 7.738 -3.785 -4.441 1.00 0.00 O ATOM 75 CB TRP A 6 6.787 -6.554 -5.815 1.00 0.00 C ATOM 76 CG TRP A 6 5.575 -7.461 -6.105 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.610 -8.831 -6.140 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.296 -7.062 -6.380 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.381 -9.184 -6.424 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.519 -8.204 -6.588 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.701 -5.807 -6.483 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.166 -8.092 -6.894 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.347 -5.696 -6.791 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.582 -6.838 -6.995 1.00 0.00 C ATOM 0 H TRP A 6 5.385 -4.471 -4.691 1.00 0.00 H new ATOM 0 HA TRP A 6 6.963 -6.826 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.784 -5.722 -6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.703 -7.118 -5.992 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.460 -9.475 -5.971 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.108 -10.163 -6.513 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.291 -4.917 -6.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.572 -8.980 -7.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.891 -4.720 -6.871 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.532 -6.749 -7.232 1.00 0.00 H new ATOM 95 N SER A 7 9.107 -5.445 -3.846 1.00 0.00 N ATOM 96 CA SER A 7 10.295 -4.546 -3.653 1.00 0.00 C ATOM 97 C SER A 7 10.836 -3.943 -4.966 1.00 0.00 C ATOM 98 O SER A 7 11.893 -3.344 -4.979 1.00 0.00 O ATOM 99 CB SER A 7 11.402 -5.362 -2.942 1.00 0.00 C ATOM 100 OG SER A 7 11.702 -6.442 -3.816 1.00 0.00 O ATOM 0 H SER A 7 9.288 -6.432 -3.664 1.00 0.00 H new ATOM 0 HA SER A 7 9.977 -3.695 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.285 -4.749 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.060 -5.725 -1.973 1.00 0.00 H new ATOM 0 HG SER A 7 11.091 -6.423 -4.582 1.00 0.00 H new ATOM 106 N GLY A 8 10.091 -4.120 -6.029 1.00 0.00 N ATOM 107 CA GLY A 8 10.492 -3.587 -7.363 1.00 0.00 C ATOM 108 C GLY A 8 11.408 -4.569 -8.110 1.00 0.00 C ATOM 109 O GLY A 8 11.967 -5.461 -7.503 1.00 0.00 O ATOM 0 H GLY A 8 9.203 -4.623 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.602 -3.392 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.005 -2.634 -7.236 1.00 0.00 H new ATOM 113 N PRO A 9 11.552 -4.382 -9.403 1.00 0.00 N ATOM 114 CA PRO A 9 11.210 -3.127 -10.142 1.00 0.00 C ATOM 115 C PRO A 9 9.695 -3.001 -10.345 1.00 0.00 C ATOM 116 O PRO A 9 9.099 -2.002 -9.989 1.00 0.00 O ATOM 117 CB PRO A 9 11.976 -3.220 -11.461 1.00 0.00 C ATOM 118 CG PRO A 9 12.413 -4.694 -11.622 1.00 0.00 C ATOM 119 CD PRO A 9 12.084 -5.437 -10.311 1.00 0.00 C ATOM 0 HA PRO A 9 11.493 -2.230 -9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.347 -2.910 -12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.843 -2.559 -11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.893 -5.155 -12.462 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.480 -4.753 -11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.349 -6.225 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.971 -5.911 -9.891 1.00 0.00 H new ATOM 127 N GLY A 10 9.135 -4.037 -10.914 1.00 0.00 N ATOM 128 CA GLY A 10 7.670 -4.080 -11.185 1.00 0.00 C ATOM 129 C GLY A 10 6.970 -4.936 -10.126 1.00 0.00 C ATOM 130 O GLY A 10 7.339 -4.924 -8.967 1.00 0.00 O ATOM 0 H GLY A 10 9.644 -4.871 -11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.260 -3.070 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.487 -4.492 -12.177 1.00 0.00 H new ATOM 134 N CYS A 11 5.972 -5.649 -10.580 1.00 0.00 N ATOM 135 CA CYS A 11 5.168 -6.549 -9.696 1.00 0.00 C ATOM 136 C CYS A 11 5.563 -7.986 -10.071 1.00 0.00 C ATOM 137 O CYS A 11 4.787 -8.713 -10.666 1.00 0.00 O ATOM 138 CB CYS A 11 3.681 -6.323 -9.970 1.00 0.00 C ATOM 139 SG CYS A 11 2.908 -4.716 -9.669 1.00 0.00 S ATOM 0 H CYS A 11 5.672 -5.645 -11.555 1.00 0.00 H new ATOM 0 HA CYS A 11 5.354 -6.356 -8.639 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.510 -6.568 -11.018 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.133 -7.056 -9.378 1.00 0.00 H new ATOM 144 N ASN A 12 6.766 -8.360 -9.715 1.00 0.00 N ATOM 145 CA ASN A 12 7.252 -9.741 -10.042 1.00 0.00 C ATOM 146 C ASN A 12 8.101 -10.329 -8.916 1.00 0.00 C ATOM 147 O ASN A 12 7.900 -11.449 -8.490 1.00 0.00 O ATOM 148 CB ASN A 12 8.082 -9.662 -11.328 1.00 0.00 C ATOM 149 CG ASN A 12 7.215 -9.150 -12.487 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.085 -7.861 -12.653 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 6.651 -9.912 -13.246 1.00 0.00 N flip ATOM 0 H ASN A 12 7.433 -7.773 -9.214 1.00 0.00 H new ATOM 0 HA ASN A 12 6.390 -10.396 -10.171 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.933 -8.998 -11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.484 -10.646 -11.571 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.748 -10.920 -13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.080 -9.544 -14.007 1.00 0.00 H new ATOM 158 N ASN A 13 9.030 -9.509 -8.504 1.00 0.00 N ATOM 159 CA ASN A 13 10.013 -9.802 -7.423 1.00 0.00 C ATOM 160 C ASN A 13 9.413 -10.256 -6.061 1.00 0.00 C ATOM 161 O ASN A 13 8.519 -11.080 -6.029 1.00 0.00 O ATOM 162 CB ASN A 13 10.854 -8.511 -7.306 1.00 0.00 C ATOM 163 CG ASN A 13 9.945 -7.331 -6.936 1.00 0.00 C ATOM 164 OD1 ASN A 13 10.031 -6.822 -5.840 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.071 -6.861 -7.791 1.00 0.00 N ATOM 0 H ASN A 13 9.152 -8.580 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 13 10.605 -10.677 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.628 -8.637 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.361 -8.310 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.474 -6.076 -7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.988 -7.280 -8.717 1.00 0.00 H new ATOM 172 N ARG A 14 9.913 -9.722 -4.970 1.00 0.00 N ATOM 173 CA ARG A 14 9.402 -10.101 -3.609 1.00 0.00 C ATOM 174 C ARG A 14 7.887 -9.925 -3.486 1.00 0.00 C ATOM 175 O ARG A 14 7.367 -8.882 -3.812 1.00 0.00 O ATOM 176 CB ARG A 14 10.101 -9.235 -2.546 1.00 0.00 C ATOM 177 CG ARG A 14 11.598 -9.577 -2.544 1.00 0.00 C ATOM 178 CD ARG A 14 12.309 -8.810 -1.415 1.00 0.00 C ATOM 179 NE ARG A 14 13.749 -9.226 -1.396 1.00 0.00 N ATOM 180 CZ ARG A 14 14.134 -10.363 -0.866 1.00 0.00 C ATOM 181 NH1 ARG A 14 13.266 -11.181 -0.330 1.00 0.00 N ATOM 182 NH2 ARG A 14 15.406 -10.652 -0.891 1.00 0.00 N ATOM 0 H ARG A 14 10.663 -9.031 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 14 9.624 -11.157 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.955 -8.177 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.669 -9.421 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.735 -10.650 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.040 -9.318 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.227 -7.735 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.839 -9.025 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 14 14.449 -8.608 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.275 -10.939 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.580 -12.062 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.068 -10.002 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.738 -11.528 -0.487 1.00 0.00 H new ATOM 196 N ALA A 15 7.229 -10.954 -3.020 1.00 0.00 N ATOM 197 CA ALA A 15 5.740 -10.906 -2.854 1.00 0.00 C ATOM 198 C ALA A 15 5.369 -10.624 -1.390 1.00 0.00 C ATOM 199 O ALA A 15 5.662 -11.421 -0.519 1.00 0.00 O ATOM 200 CB ALA A 15 5.157 -12.256 -3.299 1.00 0.00 C ATOM 0 H ALA A 15 7.661 -11.836 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 15 5.328 -10.102 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.073 -12.240 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.409 -12.434 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.574 -13.053 -2.684 1.00 0.00 H new ATOM 206 N GLU A 16 4.737 -9.496 -1.164 1.00 0.00 N ATOM 207 CA GLU A 16 4.324 -9.117 0.226 1.00 0.00 C ATOM 208 C GLU A 16 3.018 -8.308 0.106 1.00 0.00 C ATOM 209 O GLU A 16 2.894 -7.483 -0.776 1.00 0.00 O ATOM 210 CB GLU A 16 5.458 -8.274 0.858 1.00 0.00 C ATOM 211 CG GLU A 16 5.420 -8.374 2.409 1.00 0.00 C ATOM 212 CD GLU A 16 4.073 -7.904 2.980 1.00 0.00 C ATOM 213 OE1 GLU A 16 3.724 -6.771 2.697 1.00 0.00 O ATOM 214 OE2 GLU A 16 3.464 -8.706 3.669 1.00 0.00 O ATOM 0 H GLU A 16 4.489 -8.819 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 16 4.153 -9.986 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.424 -8.621 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.356 -7.232 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.602 -9.405 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.224 -7.771 2.832 1.00 0.00 H new ATOM 221 N ARG A 17 2.088 -8.562 0.995 1.00 0.00 N ATOM 222 CA ARG A 17 0.772 -7.839 0.974 1.00 0.00 C ATOM 223 C ARG A 17 0.456 -7.126 2.301 1.00 0.00 C ATOM 224 O ARG A 17 0.986 -7.457 3.343 1.00 0.00 O ATOM 225 CB ARG A 17 -0.314 -8.883 0.645 1.00 0.00 C ATOM 226 CG ARG A 17 -1.704 -8.232 0.422 1.00 0.00 C ATOM 227 CD ARG A 17 -2.742 -9.342 0.186 1.00 0.00 C ATOM 228 NE ARG A 17 -2.883 -10.125 1.455 1.00 0.00 N ATOM 229 CZ ARG A 17 -3.663 -11.174 1.533 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.348 -11.573 0.493 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.732 -11.801 2.673 1.00 0.00 N ATOM 0 H ARG A 17 2.184 -9.247 1.744 1.00 0.00 H new ATOM 0 HA ARG A 17 0.810 -7.050 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.026 -9.435 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.379 -9.606 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.983 -7.633 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.672 -7.558 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.700 -8.911 -0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.425 -9.992 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.358 -9.834 2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.278 -11.066 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.953 -12.391 0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.188 -11.471 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.330 -12.622 2.768 1.00 0.00 H new ATOM 245 N TYR A 18 -0.418 -6.157 2.192 1.00 0.00 N ATOM 246 CA TYR A 18 -0.869 -5.341 3.356 1.00 0.00 C ATOM 247 C TYR A 18 -2.389 -5.196 3.235 1.00 0.00 C ATOM 248 O TYR A 18 -2.892 -4.204 2.743 1.00 0.00 O ATOM 249 CB TYR A 18 -0.197 -3.950 3.319 1.00 0.00 C ATOM 250 CG TYR A 18 1.286 -4.044 3.701 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.652 -4.285 5.011 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.272 -3.881 2.751 1.00 0.00 C ATOM 253 CE1 TYR A 18 2.982 -4.361 5.364 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.601 -3.957 3.104 1.00 0.00 C ATOM 255 CZ TYR A 18 3.964 -4.197 4.413 1.00 0.00 C ATOM 256 OH TYR A 18 5.294 -4.277 4.768 1.00 0.00 O ATOM 0 H TYR A 18 -0.852 -5.890 1.308 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.597 -5.818 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.292 -3.523 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.711 -3.276 4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.890 -4.415 5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.000 -3.692 1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.255 -4.550 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.364 -3.828 2.351 1.00 0.00 H new ATOM 0 HH TYR A 18 5.836 -4.444 3.969 1.00 0.00 H new ATOM 266 N SER A 19 -3.069 -6.217 3.690 1.00 0.00 N ATOM 267 CA SER A 19 -4.564 -6.243 3.652 1.00 0.00 C ATOM 268 C SER A 19 -5.142 -6.019 5.054 1.00 0.00 C ATOM 269 O SER A 19 -6.316 -5.738 5.200 1.00 0.00 O ATOM 270 CB SER A 19 -5.015 -7.609 3.089 1.00 0.00 C ATOM 271 OG SER A 19 -4.433 -8.576 3.953 1.00 0.00 O ATOM 0 H SER A 19 -2.643 -7.051 4.094 1.00 0.00 H new ATOM 0 HA SER A 19 -4.932 -5.441 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.102 -7.692 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.676 -7.743 2.062 1.00 0.00 H new ATOM 0 HG SER A 19 -4.682 -9.475 3.653 1.00 0.00 H new ATOM 277 N LYS A 20 -4.288 -6.151 6.040 1.00 0.00 N ATOM 278 CA LYS A 20 -4.705 -5.960 7.462 1.00 0.00 C ATOM 279 C LYS A 20 -5.180 -4.511 7.669 1.00 0.00 C ATOM 280 O LYS A 20 -4.616 -3.585 7.117 1.00 0.00 O ATOM 281 CB LYS A 20 -3.492 -6.275 8.367 1.00 0.00 C ATOM 282 CG LYS A 20 -3.895 -6.203 9.861 1.00 0.00 C ATOM 283 CD LYS A 20 -2.661 -6.504 10.738 1.00 0.00 C ATOM 284 CE LYS A 20 -3.065 -6.456 12.224 1.00 0.00 C ATOM 285 NZ LYS A 20 -1.885 -6.762 13.082 1.00 0.00 N ATOM 0 H LYS A 20 -3.304 -6.387 5.916 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.530 -6.626 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.107 -7.268 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.688 -5.567 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.290 -5.214 10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.688 -6.921 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.257 -7.486 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.874 -5.776 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.459 -5.470 12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.861 -7.175 12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.165 -6.728 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.528 -7.712 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.138 -6.060 12.908 1.00 0.00 H new ATOM 299 N CYS A 21 -6.210 -4.374 8.464 1.00 0.00 N ATOM 300 CA CYS A 21 -6.791 -3.028 8.766 1.00 0.00 C ATOM 301 C CYS A 21 -5.857 -2.216 9.680 1.00 0.00 C ATOM 302 O CYS A 21 -4.846 -2.715 10.138 1.00 0.00 O ATOM 303 CB CYS A 21 -8.159 -3.251 9.431 1.00 0.00 C ATOM 304 SG CYS A 21 -9.116 -1.809 9.962 1.00 0.00 S ATOM 0 H CYS A 21 -6.682 -5.151 8.925 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.908 -2.453 7.848 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.776 -3.818 8.734 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.002 -3.883 10.305 1.00 0.00 H new ATOM 309 N GLY A 22 -6.227 -0.982 9.914 1.00 0.00 N ATOM 310 CA GLY A 22 -5.413 -0.082 10.782 1.00 0.00 C ATOM 311 C GLY A 22 -4.349 0.604 9.925 1.00 0.00 C ATOM 312 O GLY A 22 -4.683 1.415 9.084 1.00 0.00 O ATOM 0 H GLY A 22 -7.072 -0.555 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.052 0.663 11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.942 -0.654 11.581 1.00 0.00 H new ATOM 316 N CYS A 23 -3.106 0.257 10.159 1.00 0.00 N ATOM 317 CA CYS A 23 -1.972 0.860 9.386 1.00 0.00 C ATOM 318 C CYS A 23 -0.636 0.172 9.699 1.00 0.00 C ATOM 319 O CYS A 23 -0.415 -0.276 10.807 1.00 0.00 O ATOM 320 CB CYS A 23 -1.885 2.357 9.730 1.00 0.00 C ATOM 321 SG CYS A 23 -1.956 2.799 11.482 1.00 0.00 S ATOM 0 H CYS A 23 -2.825 -0.427 10.861 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.164 0.722 8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.953 2.746 9.319 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.698 2.871 9.217 1.00 0.00 H new ATOM 326 N SER A 24 0.212 0.118 8.700 1.00 0.00 N ATOM 327 CA SER A 24 1.560 -0.523 8.853 1.00 0.00 C ATOM 328 C SER A 24 2.536 -0.017 7.777 1.00 0.00 C ATOM 329 O SER A 24 2.129 0.401 6.711 1.00 0.00 O ATOM 330 CB SER A 24 1.403 -2.056 8.740 1.00 0.00 C ATOM 331 OG SER A 24 0.847 -2.273 7.450 1.00 0.00 O ATOM 0 H SER A 24 0.026 0.496 7.771 1.00 0.00 H new ATOM 0 HA SER A 24 1.968 -0.260 9.829 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.363 -2.560 8.846 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.751 -2.445 9.522 1.00 0.00 H new ATOM 0 HG SER A 24 1.371 -2.954 6.978 1.00 0.00 H new ATOM 337 N ALA A 25 3.804 -0.080 8.105 1.00 0.00 N ATOM 338 CA ALA A 25 4.877 0.374 7.168 1.00 0.00 C ATOM 339 C ALA A 25 5.218 -0.661 6.084 1.00 0.00 C ATOM 340 O ALA A 25 5.268 -1.849 6.336 1.00 0.00 O ATOM 341 CB ALA A 25 6.133 0.691 7.988 1.00 0.00 C ATOM 0 H ALA A 25 4.145 -0.433 8.999 1.00 0.00 H new ATOM 0 HA ALA A 25 4.507 1.256 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.928 1.024 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.909 1.479 8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.456 -0.204 8.519 1.00 0.00 H new ATOM 347 N ILE A 26 5.439 -0.141 4.903 1.00 0.00 N ATOM 348 CA ILE A 26 5.787 -0.970 3.708 1.00 0.00 C ATOM 349 C ILE A 26 7.316 -0.959 3.546 1.00 0.00 C ATOM 350 O ILE A 26 7.914 0.071 3.300 1.00 0.00 O ATOM 351 CB ILE A 26 5.053 -0.346 2.493 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.525 -0.576 2.681 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.520 -1.023 1.174 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.746 0.482 1.912 1.00 0.00 C ATOM 0 H ILE A 26 5.391 0.860 4.712 1.00 0.00 H new ATOM 0 HA ILE A 26 5.476 -2.010 3.805 1.00 0.00 H new ATOM 0 HB ILE A 26 5.278 0.719 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.251 -1.570 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.269 -0.532 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.996 -0.575 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.594 -0.880 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.298 -2.089 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.677 0.317 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.010 1.471 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.992 0.417 0.852 1.00 0.00 H new ATOM 366 N HIS A 27 7.887 -2.127 3.695 1.00 0.00 N ATOM 367 CA HIS A 27 9.372 -2.308 3.576 1.00 0.00 C ATOM 368 C HIS A 27 9.802 -2.358 2.103 1.00 0.00 C ATOM 369 O HIS A 27 10.763 -1.732 1.702 1.00 0.00 O ATOM 370 CB HIS A 27 9.755 -3.618 4.282 1.00 0.00 C ATOM 371 CG HIS A 27 9.182 -3.596 5.702 1.00 0.00 C ATOM 372 ND1 HIS A 27 7.946 -3.843 5.989 1.00 0.00 N ATOM 373 CD2 HIS A 27 9.770 -3.330 6.927 1.00 0.00 C ATOM 374 CE1 HIS A 27 7.766 -3.746 7.266 1.00 0.00 C ATOM 375 NE2 HIS A 27 8.874 -3.427 7.889 1.00 0.00 N ATOM 0 H HIS A 27 7.376 -2.986 3.899 1.00 0.00 H new ATOM 0 HA HIS A 27 9.880 -1.463 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.364 -4.473 3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.839 -3.727 4.314 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.222 -4.079 5.311 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.810 -3.080 7.073 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.819 -3.908 7.759 1.00 0.00 H new ATOM 383 N GLN A 28 9.047 -3.122 1.359 1.00 0.00 N ATOM 384 CA GLN A 28 9.286 -3.313 -0.105 1.00 0.00 C ATOM 385 C GLN A 28 8.673 -2.126 -0.863 1.00 0.00 C ATOM 386 O GLN A 28 7.580 -2.177 -1.385 1.00 0.00 O ATOM 387 CB GLN A 28 8.640 -4.656 -0.548 1.00 0.00 C ATOM 388 CG GLN A 28 7.227 -4.840 0.045 1.00 0.00 C ATOM 389 CD GLN A 28 7.309 -5.428 1.462 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.736 -4.795 2.448 1.00 0.00 O flip ATOM 391 NE2 GLN A 28 7.897 -6.468 1.684 1.00 0.00 N flip ATOM 0 H GLN A 28 8.245 -3.640 1.718 1.00 0.00 H new ATOM 0 HA GLN A 28 10.353 -3.353 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.584 -4.690 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.275 -5.485 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.710 -3.881 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.641 -5.499 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.349 -6.971 0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.939 -6.838 2.634 1.00 0.00 H new ATOM 400 N LYS A 29 9.436 -1.074 -0.888 1.00 0.00 N ATOM 401 CA LYS A 29 9.043 0.195 -1.563 1.00 0.00 C ATOM 402 C LYS A 29 9.292 0.171 -3.088 1.00 0.00 C ATOM 403 O LYS A 29 9.977 1.023 -3.621 1.00 0.00 O ATOM 404 CB LYS A 29 9.844 1.314 -0.871 1.00 0.00 C ATOM 405 CG LYS A 29 9.485 1.364 0.632 1.00 0.00 C ATOM 406 CD LYS A 29 10.332 2.454 1.310 1.00 0.00 C ATOM 407 CE LYS A 29 10.049 2.451 2.818 1.00 0.00 C ATOM 408 NZ LYS A 29 10.896 3.479 3.487 1.00 0.00 N ATOM 0 H LYS A 29 10.356 -1.039 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 29 7.969 0.355 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.913 1.137 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.624 2.274 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.424 1.578 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.673 0.396 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.391 2.274 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.096 3.430 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.995 2.659 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.257 1.466 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.741 3.441 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.898 3.291 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.641 4.423 3.133 1.00 0.00 H new ATOM 422 N GLY A 30 8.718 -0.810 -3.738 1.00 0.00 N ATOM 423 CA GLY A 30 8.872 -0.955 -5.221 1.00 0.00 C ATOM 424 C GLY A 30 7.528 -0.795 -5.940 1.00 0.00 C ATOM 425 O GLY A 30 6.945 0.271 -5.919 1.00 0.00 O ATOM 0 H GLY A 30 8.141 -1.527 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.575 -0.208 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.295 -1.933 -5.451 1.00 0.00 H new ATOM 429 N GLY A 31 7.084 -1.868 -6.547 1.00 0.00 N ATOM 430 CA GLY A 31 5.782 -1.870 -7.298 1.00 0.00 C ATOM 431 C GLY A 31 4.627 -2.227 -6.359 1.00 0.00 C ATOM 432 O GLY A 31 4.880 -2.818 -5.334 1.00 0.00 O ATOM 0 H GLY A 31 7.576 -2.761 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.609 -0.890 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.828 -2.587 -8.118 1.00 0.00 H new ATOM 436 N TYR A 32 3.404 -1.873 -6.691 1.00 0.00 N ATOM 437 CA TYR A 32 2.261 -2.218 -5.774 1.00 0.00 C ATOM 438 C TYR A 32 0.849 -2.179 -6.385 1.00 0.00 C ATOM 439 O TYR A 32 0.478 -1.257 -7.084 1.00 0.00 O ATOM 440 CB TYR A 32 2.313 -1.271 -4.559 1.00 0.00 C ATOM 441 CG TYR A 32 2.449 0.164 -5.069 1.00 0.00 C ATOM 442 CD1 TYR A 32 3.709 0.674 -5.296 1.00 0.00 C ATOM 443 CD2 TYR A 32 1.348 0.948 -5.323 1.00 0.00 C ATOM 444 CE1 TYR A 32 3.869 1.946 -5.772 1.00 0.00 C ATOM 445 CE2 TYR A 32 1.508 2.227 -5.801 1.00 0.00 C ATOM 446 CZ TYR A 32 2.772 2.739 -6.031 1.00 0.00 C ATOM 447 OH TYR A 32 2.938 4.021 -6.513 1.00 0.00 O ATOM 0 H TYR A 32 3.149 -1.369 -7.541 1.00 0.00 H new ATOM 0 HA TYR A 32 2.411 -3.265 -5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.410 -1.376 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.155 -1.526 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.577 0.064 -5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.356 0.558 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.862 2.332 -5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.639 2.837 -5.999 1.00 0.00 H new ATOM 0 HH TYR A 32 2.668 4.666 -5.827 1.00 0.00 H new ATOM 457 N ASP A 33 0.105 -3.207 -6.070 1.00 0.00 N ATOM 458 CA ASP A 33 -1.298 -3.377 -6.552 1.00 0.00 C ATOM 459 C ASP A 33 -2.213 -3.197 -5.334 1.00 0.00 C ATOM 460 O ASP A 33 -1.745 -3.176 -4.213 1.00 0.00 O ATOM 461 CB ASP A 33 -1.391 -4.806 -7.164 1.00 0.00 C ATOM 462 CG ASP A 33 -2.833 -5.301 -7.424 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.483 -5.643 -6.448 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.212 -5.319 -8.583 1.00 0.00 O ATOM 0 H ASP A 33 0.428 -3.968 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.596 -2.656 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.840 -4.821 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.895 -5.508 -6.493 1.00 0.00 H new ATOM 469 N PHE A 34 -3.488 -3.062 -5.584 1.00 0.00 N ATOM 470 CA PHE A 34 -4.462 -2.895 -4.458 1.00 0.00 C ATOM 471 C PHE A 34 -5.763 -3.598 -4.848 1.00 0.00 C ATOM 472 O PHE A 34 -6.032 -3.775 -6.021 1.00 0.00 O ATOM 473 CB PHE A 34 -4.756 -1.396 -4.192 1.00 0.00 C ATOM 474 CG PHE A 34 -5.693 -1.285 -2.971 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.173 -1.323 -1.695 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.063 -1.153 -3.130 1.00 0.00 C ATOM 477 CE1 PHE A 34 -5.996 -1.234 -0.594 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.889 -1.063 -2.028 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.358 -1.103 -0.759 1.00 0.00 C ATOM 0 H PHE A 34 -3.900 -3.060 -6.517 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.038 -3.325 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.828 -0.856 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.220 -0.941 -5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.107 -1.424 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.487 -1.120 -4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.574 -1.267 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.956 -0.961 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.005 -1.032 0.103 1.00 0.00 H new ATOM 489 N SER A 35 -6.525 -3.987 -3.856 1.00 0.00 N ATOM 490 CA SER A 35 -7.821 -4.675 -4.143 1.00 0.00 C ATOM 491 C SER A 35 -8.841 -4.262 -3.086 1.00 0.00 C ATOM 492 O SER A 35 -8.749 -4.636 -1.934 1.00 0.00 O ATOM 493 CB SER A 35 -7.600 -6.201 -4.125 1.00 0.00 C ATOM 494 OG SER A 35 -8.857 -6.733 -4.520 1.00 0.00 O ATOM 0 H SER A 35 -6.308 -3.859 -2.868 1.00 0.00 H new ATOM 0 HA SER A 35 -8.196 -4.391 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.807 -6.498 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.312 -6.551 -3.134 1.00 0.00 H new ATOM 0 HG SER A 35 -9.308 -6.098 -5.115 1.00 0.00 H new ATOM 500 N TYR A 36 -9.782 -3.484 -3.558 1.00 0.00 N ATOM 501 CA TYR A 36 -10.887 -2.956 -2.707 1.00 0.00 C ATOM 502 C TYR A 36 -12.002 -4.000 -2.544 1.00 0.00 C ATOM 503 O TYR A 36 -12.255 -4.788 -3.435 1.00 0.00 O ATOM 504 CB TYR A 36 -11.449 -1.692 -3.381 1.00 0.00 C ATOM 505 CG TYR A 36 -12.551 -1.057 -2.517 1.00 0.00 C ATOM 506 CD1 TYR A 36 -13.854 -1.522 -2.566 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.252 -0.012 -1.671 1.00 0.00 C ATOM 508 CE1 TYR A 36 -14.832 -0.952 -1.782 1.00 0.00 C ATOM 509 CE2 TYR A 36 -13.232 0.555 -0.888 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.528 0.091 -0.935 1.00 0.00 C ATOM 511 OH TYR A 36 -15.503 0.660 -0.143 1.00 0.00 O ATOM 0 H TYR A 36 -9.829 -3.184 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.502 -2.723 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.646 -0.972 -3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.851 -1.945 -4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.106 -2.339 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.241 0.365 -1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.844 -1.325 -1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.982 1.373 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.110 1.381 0.392 1.00 0.00 H new ATOM 521 N THR A 37 -12.625 -3.956 -1.394 1.00 0.00 N ATOM 522 CA THR A 37 -13.742 -4.886 -1.056 1.00 0.00 C ATOM 523 C THR A 37 -14.310 -4.412 0.287 1.00 0.00 C ATOM 524 O THR A 37 -14.077 -4.975 1.339 1.00 0.00 O ATOM 525 CB THR A 37 -13.195 -6.370 -0.995 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.231 -7.144 -0.406 1.00 0.00 O ATOM 527 CG2 THR A 37 -11.954 -6.573 -0.115 1.00 0.00 C ATOM 0 H THR A 37 -12.397 -3.293 -0.654 1.00 0.00 H new ATOM 0 HA THR A 37 -14.532 -4.880 -1.807 1.00 0.00 H new ATOM 0 HB THR A 37 -12.911 -6.649 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.946 -8.079 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.658 -7.622 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.137 -5.957 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.184 -6.285 0.911 1.00 0.00 H new ATOM 535 N GLY A 38 -15.061 -3.345 0.172 1.00 0.00 N ATOM 536 CA GLY A 38 -15.719 -2.697 1.329 1.00 0.00 C ATOM 537 C GLY A 38 -14.782 -1.765 2.109 1.00 0.00 C ATOM 538 O GLY A 38 -15.242 -0.834 2.742 1.00 0.00 O ATOM 0 H GLY A 38 -15.247 -2.884 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.579 -2.127 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.099 -3.466 2.001 1.00 0.00 H new ATOM 542 N GLN A 39 -13.501 -2.038 2.042 1.00 0.00 N ATOM 543 CA GLN A 39 -12.490 -1.201 2.763 1.00 0.00 C ATOM 544 C GLN A 39 -11.627 -0.343 1.833 1.00 0.00 C ATOM 545 O GLN A 39 -11.178 -0.799 0.799 1.00 0.00 O ATOM 546 CB GLN A 39 -11.585 -2.122 3.585 1.00 0.00 C ATOM 547 CG GLN A 39 -12.327 -2.658 4.816 1.00 0.00 C ATOM 548 CD GLN A 39 -13.440 -3.639 4.432 1.00 0.00 C ATOM 549 OE1 GLN A 39 -13.190 -4.704 3.903 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.679 -3.317 4.683 1.00 0.00 N ATOM 0 H GLN A 39 -13.108 -2.815 1.511 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.043 -0.509 3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.248 -2.954 2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.695 -1.578 3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.618 -3.155 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.754 -1.824 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.894 -2.424 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.433 -3.958 4.435 1.00 0.00 H new ATOM 559 N THR A 40 -11.435 0.881 2.257 1.00 0.00 N ATOM 560 CA THR A 40 -10.618 1.881 1.494 1.00 0.00 C ATOM 561 C THR A 40 -9.201 1.916 2.086 1.00 0.00 C ATOM 562 O THR A 40 -8.965 1.395 3.160 1.00 0.00 O ATOM 563 CB THR A 40 -11.272 3.283 1.624 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.628 3.109 1.238 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.731 4.285 0.579 1.00 0.00 C ATOM 0 H THR A 40 -11.823 1.242 3.129 1.00 0.00 H new ATOM 0 HA THR A 40 -10.571 1.602 0.441 1.00 0.00 H new ATOM 0 HB THR A 40 -11.093 3.652 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.163 2.864 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.220 5.250 0.713 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.655 4.402 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.935 3.910 -0.424 1.00 0.00 H new ATOM 573 N ALA A 41 -8.303 2.532 1.357 1.00 0.00 N ATOM 574 CA ALA A 41 -6.881 2.650 1.806 1.00 0.00 C ATOM 575 C ALA A 41 -6.410 4.106 1.705 1.00 0.00 C ATOM 576 O ALA A 41 -7.125 4.961 1.219 1.00 0.00 O ATOM 577 CB ALA A 41 -6.011 1.757 0.926 1.00 0.00 C ATOM 0 H ALA A 41 -8.499 2.965 0.455 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.800 2.335 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.971 1.835 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.342 0.723 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.097 2.075 -0.113 1.00 0.00 H new ATOM 583 N ALA A 42 -5.210 4.333 2.177 1.00 0.00 N ATOM 584 CA ALA A 42 -4.607 5.698 2.152 1.00 0.00 C ATOM 585 C ALA A 42 -3.090 5.579 2.300 1.00 0.00 C ATOM 586 O ALA A 42 -2.611 5.026 3.270 1.00 0.00 O ATOM 587 CB ALA A 42 -5.194 6.520 3.306 1.00 0.00 C ATOM 0 H ALA A 42 -4.613 3.615 2.586 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.831 6.195 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.760 7.520 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.275 6.592 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.964 6.033 4.254 1.00 0.00 H new ATOM 593 N LEU A 43 -2.379 6.103 1.335 1.00 0.00 N ATOM 594 CA LEU A 43 -0.884 6.046 1.365 1.00 0.00 C ATOM 595 C LEU A 43 -0.280 7.359 1.866 1.00 0.00 C ATOM 596 O LEU A 43 -0.698 8.424 1.462 1.00 0.00 O ATOM 597 CB LEU A 43 -0.338 5.783 -0.050 1.00 0.00 C ATOM 598 CG LEU A 43 -0.708 4.381 -0.567 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.286 4.257 -2.037 1.00 0.00 C ATOM 600 CD2 LEU A 43 0.050 3.326 0.247 1.00 0.00 C ATOM 0 H LEU A 43 -2.773 6.572 0.520 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.607 5.240 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.730 6.535 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.747 5.891 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.783 4.230 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.546 3.266 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.803 5.013 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.791 4.405 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.209 2.331 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.123 3.484 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.224 3.412 1.298 1.00 0.00 H new ATOM 612 N TYR A 44 0.694 7.231 2.730 1.00 0.00 N ATOM 613 CA TYR A 44 1.383 8.426 3.305 1.00 0.00 C ATOM 614 C TYR A 44 2.842 8.077 3.591 1.00 0.00 C ATOM 615 O TYR A 44 3.168 7.010 4.078 1.00 0.00 O ATOM 616 CB TYR A 44 0.660 8.861 4.600 1.00 0.00 C ATOM 617 CG TYR A 44 0.362 7.660 5.486 1.00 0.00 C ATOM 618 CD1 TYR A 44 -0.734 6.877 5.210 1.00 0.00 C ATOM 619 CD2 TYR A 44 1.172 7.341 6.551 1.00 0.00 C ATOM 620 CE1 TYR A 44 -1.019 5.789 5.986 1.00 0.00 C ATOM 621 CE2 TYR A 44 0.882 6.245 7.332 1.00 0.00 C ATOM 622 CZ TYR A 44 -0.215 5.462 7.053 1.00 0.00 C ATOM 623 OH TYR A 44 -0.505 4.362 7.827 1.00 0.00 O ATOM 0 H TYR A 44 1.047 6.335 3.067 1.00 0.00 H new ATOM 0 HA TYR A 44 1.354 9.253 2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.278 9.575 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.269 9.372 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.373 7.123 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.035 7.950 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.882 5.181 5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.519 5.998 8.168 1.00 0.00 H new ATOM 0 HH TYR A 44 0.199 4.239 8.497 1.00 0.00 H new ATOM 633 N ASN A 45 3.673 9.027 3.262 1.00 0.00 N ATOM 634 CA ASN A 45 5.145 8.849 3.467 1.00 0.00 C ATOM 635 C ASN A 45 5.574 8.913 4.943 1.00 0.00 C ATOM 636 O ASN A 45 6.704 8.601 5.263 1.00 0.00 O ATOM 637 CB ASN A 45 5.874 9.935 2.643 1.00 0.00 C ATOM 638 CG ASN A 45 7.371 9.607 2.578 1.00 0.00 C ATOM 639 OD1 ASN A 45 7.795 8.733 1.847 1.00 0.00 O ATOM 640 ND2 ASN A 45 8.202 10.281 3.324 1.00 0.00 N ATOM 0 H ASN A 45 3.399 9.923 2.859 1.00 0.00 H new ATOM 0 HA ASN A 45 5.415 7.848 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.457 9.984 1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.725 10.914 3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.200 10.073 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.854 11.016 3.940 1.00 0.00 H new ATOM 647 N GLN A 46 4.677 9.312 5.804 1.00 0.00 N ATOM 648 CA GLN A 46 4.995 9.403 7.254 1.00 0.00 C ATOM 649 C GLN A 46 4.768 8.052 7.964 1.00 0.00 C ATOM 650 O GLN A 46 3.684 7.788 8.451 1.00 0.00 O ATOM 651 CB GLN A 46 4.099 10.468 7.859 1.00 0.00 C ATOM 652 CG GLN A 46 4.217 11.836 7.137 1.00 0.00 C ATOM 653 CD GLN A 46 3.720 11.813 5.683 1.00 0.00 C ATOM 654 OE1 GLN A 46 2.458 11.583 5.441 1.00 0.00 O flip ATOM 655 NE2 GLN A 46 4.476 12.007 4.754 1.00 0.00 N flip ATOM 0 H GLN A 46 3.725 9.582 5.558 1.00 0.00 H new ATOM 0 HA GLN A 46 6.046 9.663 7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.063 10.130 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.353 10.595 8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.649 12.581 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.259 12.155 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.464 12.188 4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.123 11.989 3.797 1.00 0.00 H new ATOM 664 N ALA A 47 5.793 7.234 8.001 1.00 0.00 N ATOM 665 CA ALA A 47 5.685 5.893 8.672 1.00 0.00 C ATOM 666 C ALA A 47 5.057 5.934 10.078 1.00 0.00 C ATOM 667 O ALA A 47 4.935 6.975 10.698 1.00 0.00 O ATOM 668 CB ALA A 47 7.075 5.276 8.793 1.00 0.00 C ATOM 0 H ALA A 47 6.706 7.436 7.594 1.00 0.00 H new ATOM 0 HA ALA A 47 5.021 5.300 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.000 4.303 9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.506 5.153 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.713 5.930 9.387 1.00 0.00 H new ATOM 674 N GLY A 48 4.680 4.765 10.527 1.00 0.00 N ATOM 675 CA GLY A 48 4.052 4.619 11.874 1.00 0.00 C ATOM 676 C GLY A 48 2.697 5.323 11.982 1.00 0.00 C ATOM 677 O GLY A 48 2.321 5.738 13.061 1.00 0.00 O ATOM 0 H GLY A 48 4.782 3.892 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.923 3.560 12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.726 5.023 12.629 1.00 0.00 H new ATOM 681 N CYS A 49 2.009 5.442 10.866 1.00 0.00 N ATOM 682 CA CYS A 49 0.661 6.113 10.851 1.00 0.00 C ATOM 683 C CYS A 49 0.779 7.585 11.321 1.00 0.00 C ATOM 684 O CYS A 49 -0.210 8.188 11.693 1.00 0.00 O ATOM 685 CB CYS A 49 -0.288 5.336 11.797 1.00 0.00 C ATOM 686 SG CYS A 49 -0.126 3.535 11.914 1.00 0.00 S ATOM 0 H CYS A 49 2.325 5.101 9.958 1.00 0.00 H new ATOM 0 HA CYS A 49 0.267 6.110 9.835 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.161 5.744 12.800 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.311 5.556 11.491 1.00 0.00 H new ATOM 691 N SER A 50 1.976 8.121 11.287 1.00 0.00 N ATOM 692 CA SER A 50 2.198 9.537 11.735 1.00 0.00 C ATOM 693 C SER A 50 2.080 10.639 10.667 1.00 0.00 C ATOM 694 O SER A 50 2.865 11.569 10.652 1.00 0.00 O ATOM 695 CB SER A 50 3.596 9.585 12.394 1.00 0.00 C ATOM 696 OG SER A 50 3.537 8.606 13.422 1.00 0.00 O ATOM 0 H SER A 50 2.815 7.637 10.967 1.00 0.00 H new ATOM 0 HA SER A 50 1.380 9.773 12.416 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.382 9.358 11.674 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.810 10.574 12.799 1.00 0.00 H new ATOM 0 HG SER A 50 4.396 8.573 13.892 1.00 0.00 H new ATOM 702 N GLY A 51 1.104 10.516 9.804 1.00 0.00 N ATOM 703 CA GLY A 51 0.935 11.561 8.740 1.00 0.00 C ATOM 704 C GLY A 51 -0.430 11.605 8.059 1.00 0.00 C ATOM 705 O GLY A 51 -1.377 10.963 8.469 1.00 0.00 O ATOM 0 H GLY A 51 0.427 9.754 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.130 12.538 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.696 11.400 7.976 1.00 0.00 H new ATOM 709 N VAL A 52 -0.440 12.395 7.013 1.00 0.00 N ATOM 710 CA VAL A 52 -1.656 12.608 6.169 1.00 0.00 C ATOM 711 C VAL A 52 -1.459 11.833 4.860 1.00 0.00 C ATOM 712 O VAL A 52 -0.354 11.722 4.363 1.00 0.00 O ATOM 713 CB VAL A 52 -1.815 14.125 5.882 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.081 14.381 5.032 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.944 14.897 7.214 1.00 0.00 C ATOM 0 H VAL A 52 0.376 12.920 6.699 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.554 12.255 6.676 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.936 14.468 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.180 15.449 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.998 13.847 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.959 14.028 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.055 15.962 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.818 14.539 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.050 14.736 7.816 1.00 0.00 H new ATOM 725 N ALA A 53 -2.551 11.326 4.349 1.00 0.00 N ATOM 726 CA ALA A 53 -2.542 10.537 3.077 1.00 0.00 C ATOM 727 C ALA A 53 -2.025 11.310 1.853 1.00 0.00 C ATOM 728 O ALA A 53 -1.661 12.467 1.939 1.00 0.00 O ATOM 729 CB ALA A 53 -3.956 10.062 2.820 1.00 0.00 C ATOM 0 H ALA A 53 -3.474 11.428 4.771 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.845 9.710 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.983 9.482 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.287 9.438 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.618 10.923 2.727 1.00 0.00 H new ATOM 735 N HIS A 54 -2.020 10.613 0.745 1.00 0.00 N ATOM 736 CA HIS A 54 -1.550 11.191 -0.549 1.00 0.00 C ATOM 737 C HIS A 54 -2.253 10.455 -1.697 1.00 0.00 C ATOM 738 O HIS A 54 -2.782 11.073 -2.601 1.00 0.00 O ATOM 739 CB HIS A 54 -0.042 10.997 -0.637 1.00 0.00 C ATOM 740 CG HIS A 54 0.529 11.826 -1.791 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.763 13.095 -1.738 1.00 0.00 N ATOM 742 CD2 HIS A 54 0.906 11.464 -3.072 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.242 13.500 -2.870 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.347 12.517 -3.731 1.00 0.00 N ATOM 0 H HIS A 54 -2.330 9.643 0.683 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.782 12.254 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.426 11.295 0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.189 9.942 -0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.847 10.463 -3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.521 14.522 -3.080 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.691 12.558 -4.690 1.00 0.00 H new ATOM 752 N THR A 55 -2.222 9.147 -1.611 1.00 0.00 N ATOM 753 CA THR A 55 -2.862 8.279 -2.653 1.00 0.00 C ATOM 754 C THR A 55 -3.716 7.181 -2.000 1.00 0.00 C ATOM 755 O THR A 55 -3.205 6.222 -1.454 1.00 0.00 O ATOM 756 CB THR A 55 -1.738 7.664 -3.518 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.142 8.793 -4.142 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.290 6.830 -4.691 1.00 0.00 C ATOM 0 H THR A 55 -1.773 8.635 -0.851 1.00 0.00 H new ATOM 0 HA THR A 55 -3.529 8.874 -3.277 1.00 0.00 H new ATOM 0 HB THR A 55 -1.096 7.036 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.643 8.504 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.461 6.420 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.900 6.015 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.900 7.465 -5.334 1.00 0.00 H new ATOM 766 N ARG A 56 -5.007 7.377 -2.092 1.00 0.00 N ATOM 767 CA ARG A 56 -6.003 6.418 -1.518 1.00 0.00 C ATOM 768 C ARG A 56 -6.510 5.447 -2.592 1.00 0.00 C ATOM 769 O ARG A 56 -6.428 5.739 -3.771 1.00 0.00 O ATOM 770 CB ARG A 56 -7.197 7.204 -0.954 1.00 0.00 C ATOM 771 CG ARG A 56 -6.742 8.180 0.154 1.00 0.00 C ATOM 772 CD ARG A 56 -7.965 8.950 0.680 1.00 0.00 C ATOM 773 NE ARG A 56 -8.926 7.963 1.267 1.00 0.00 N ATOM 774 CZ ARG A 56 -10.152 8.303 1.579 1.00 0.00 C ATOM 775 NH1 ARG A 56 -10.572 9.526 1.387 1.00 0.00 N ATOM 776 NH2 ARG A 56 -10.933 7.389 2.084 1.00 0.00 N ATOM 0 H ARG A 56 -5.424 8.185 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.516 5.846 -0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.683 7.759 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.936 6.511 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.266 7.631 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.000 8.875 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.661 9.677 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.439 9.507 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.619 7.004 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.943 10.225 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.528 9.781 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.584 6.441 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.893 7.622 2.337 1.00 0.00 H new ATOM 790 N PHE A 57 -7.013 4.322 -2.145 1.00 0.00 N ATOM 791 CA PHE A 57 -7.548 3.293 -3.093 1.00 0.00 C ATOM 792 C PHE A 57 -8.992 2.915 -2.725 1.00 0.00 C ATOM 793 O PHE A 57 -9.232 2.220 -1.755 1.00 0.00 O ATOM 794 CB PHE A 57 -6.686 2.021 -3.049 1.00 0.00 C ATOM 795 CG PHE A 57 -5.230 2.303 -3.442 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.916 2.850 -4.676 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.205 2.002 -2.563 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.604 3.090 -5.022 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.898 2.241 -2.910 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.593 2.786 -4.139 1.00 0.00 C ATOM 0 H PHE A 57 -7.077 4.070 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.524 3.723 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.716 1.597 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.106 1.274 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.706 3.090 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.434 1.576 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.369 3.517 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.105 2.001 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.564 2.974 -4.408 1.00 0.00 H new ATOM 810 N GLY A 58 -9.902 3.402 -3.529 1.00 0.00 N ATOM 811 CA GLY A 58 -11.361 3.134 -3.328 1.00 0.00 C ATOM 812 C GLY A 58 -11.809 1.989 -4.253 1.00 0.00 C ATOM 813 O GLY A 58 -12.942 1.552 -4.200 1.00 0.00 O ATOM 0 H GLY A 58 -9.691 3.989 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.552 2.870 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.939 4.034 -3.540 1.00 0.00 H new ATOM 817 N SER A 59 -10.886 1.546 -5.074 1.00 0.00 N ATOM 818 CA SER A 59 -11.144 0.438 -6.041 1.00 0.00 C ATOM 819 C SER A 59 -9.803 -0.233 -6.378 1.00 0.00 C ATOM 820 O SER A 59 -8.803 0.441 -6.530 1.00 0.00 O ATOM 821 CB SER A 59 -11.783 1.019 -7.317 1.00 0.00 C ATOM 822 OG SER A 59 -12.006 -0.113 -8.150 1.00 0.00 O ATOM 0 H SER A 59 -9.938 1.920 -5.112 1.00 0.00 H new ATOM 0 HA SER A 59 -11.823 -0.297 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.715 1.537 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.124 1.742 -7.798 1.00 0.00 H new ATOM 0 HG SER A 59 -12.417 0.176 -8.991 1.00 0.00 H new ATOM 828 N SER A 60 -9.835 -1.541 -6.478 1.00 0.00 N ATOM 829 CA SER A 60 -8.638 -2.366 -6.801 1.00 0.00 C ATOM 830 C SER A 60 -7.653 -1.726 -7.799 1.00 0.00 C ATOM 831 O SER A 60 -7.962 -1.578 -8.965 1.00 0.00 O ATOM 832 CB SER A 60 -9.132 -3.714 -7.366 1.00 0.00 C ATOM 833 OG SER A 60 -10.046 -4.228 -6.406 1.00 0.00 O ATOM 0 H SER A 60 -10.684 -2.089 -6.341 1.00 0.00 H new ATOM 0 HA SER A 60 -8.074 -2.477 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.617 -3.578 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.300 -4.401 -7.520 1.00 0.00 H new ATOM 0 HG SER A 60 -10.396 -5.090 -6.716 1.00 0.00 H new ATOM 839 N ALA A 61 -6.496 -1.365 -7.297 1.00 0.00 N ATOM 840 CA ALA A 61 -5.441 -0.736 -8.157 1.00 0.00 C ATOM 841 C ALA A 61 -4.527 -1.863 -8.662 1.00 0.00 C ATOM 842 O ALA A 61 -4.760 -3.019 -8.363 1.00 0.00 O ATOM 843 CB ALA A 61 -4.618 0.267 -7.329 1.00 0.00 C ATOM 0 H ALA A 61 -6.234 -1.480 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.895 -0.202 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.854 0.720 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.276 1.045 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.141 -0.252 -6.498 1.00 0.00 H new ATOM 849 N ARG A 62 -3.517 -1.501 -9.412 1.00 0.00 N ATOM 850 CA ARG A 62 -2.563 -2.514 -9.960 1.00 0.00 C ATOM 851 C ARG A 62 -1.291 -1.852 -10.511 1.00 0.00 C ATOM 852 O ARG A 62 -0.889 -2.094 -11.634 1.00 0.00 O ATOM 853 CB ARG A 62 -3.305 -3.312 -11.066 1.00 0.00 C ATOM 854 CG ARG A 62 -3.931 -2.341 -12.084 1.00 0.00 C ATOM 855 CD ARG A 62 -4.432 -3.127 -13.304 1.00 0.00 C ATOM 856 NE ARG A 62 -5.029 -2.155 -14.271 1.00 0.00 N ATOM 857 CZ ARG A 62 -5.388 -2.522 -15.477 1.00 0.00 C ATOM 858 NH1 ARG A 62 -5.231 -3.759 -15.871 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.902 -1.620 -16.266 1.00 0.00 N ATOM 0 H ARG A 62 -3.310 -0.536 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.238 -3.185 -9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.610 -3.983 -11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.081 -3.934 -10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.757 -1.798 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.195 -1.599 -12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.610 -3.671 -13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.173 -3.867 -13.002 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.160 -1.185 -13.986 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.826 -4.448 -15.238 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.514 -4.034 -16.812 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.015 -0.661 -15.939 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.191 -1.874 -17.211 1.00 0.00 H new ATOM 873 N ALA A 63 -0.686 -1.028 -9.692 1.00 0.00 N ATOM 874 CA ALA A 63 0.560 -0.326 -10.124 1.00 0.00 C ATOM 875 C ALA A 63 1.801 -1.183 -9.848 1.00 0.00 C ATOM 876 O ALA A 63 1.746 -2.153 -9.121 1.00 0.00 O ATOM 877 CB ALA A 63 0.667 1.009 -9.367 1.00 0.00 C ATOM 0 H ALA A 63 -1.000 -0.812 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 63 0.510 -0.146 -11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.574 1.530 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.202 1.627 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.705 0.817 -8.295 1.00 0.00 H new ATOM 883 N CYS A 64 2.894 -0.795 -10.450 1.00 0.00 N ATOM 884 CA CYS A 64 4.178 -1.539 -10.264 1.00 0.00 C ATOM 885 C CYS A 64 5.346 -0.545 -10.342 1.00 0.00 C ATOM 886 O CYS A 64 6.499 -0.923 -10.415 1.00 0.00 O ATOM 887 CB CYS A 64 4.279 -2.621 -11.359 1.00 0.00 C ATOM 888 SG CYS A 64 2.867 -3.750 -11.444 1.00 0.00 S ATOM 0 H CYS A 64 2.954 0.013 -11.069 1.00 0.00 H new ATOM 0 HA CYS A 64 4.214 -2.027 -9.290 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.392 -2.130 -12.326 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.184 -3.205 -11.190 1.00 0.00 H new ATOM 893 N ASN A 65 4.984 0.712 -10.317 1.00 0.00 N ATOM 894 CA ASN A 65 5.960 1.834 -10.380 1.00 0.00 C ATOM 895 C ASN A 65 6.552 2.008 -8.964 1.00 0.00 C ATOM 896 O ASN A 65 5.918 1.594 -8.013 1.00 0.00 O ATOM 897 CB ASN A 65 5.193 3.081 -10.825 1.00 0.00 C ATOM 898 CG ASN A 65 4.538 2.825 -12.182 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.428 2.143 -12.199 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 5.019 3.234 -13.219 1.00 0.00 N flip ATOM 0 H ASN A 65 4.012 1.014 -10.253 1.00 0.00 H new ATOM 0 HA ASN A 65 6.773 1.651 -11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.433 3.336 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.871 3.932 -10.892 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.888 3.768 -13.202 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.554 3.044 -14.107 1.00 0.00 H new ATOM 907 N PRO A 66 7.722 2.601 -8.841 1.00 0.00 N ATOM 908 CA PRO A 66 8.391 2.790 -7.516 1.00 0.00 C ATOM 909 C PRO A 66 7.450 3.428 -6.480 1.00 0.00 C ATOM 910 O PRO A 66 6.638 4.272 -6.807 1.00 0.00 O ATOM 911 CB PRO A 66 9.618 3.661 -7.788 1.00 0.00 C ATOM 912 CG PRO A 66 9.753 3.807 -9.313 1.00 0.00 C ATOM 913 CD PRO A 66 8.527 3.152 -9.973 1.00 0.00 C ATOM 0 HA PRO A 66 8.677 1.832 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.506 4.638 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.513 3.205 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.816 4.860 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.670 3.331 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.953 3.879 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.826 2.364 -10.664 1.00 0.00 H new ATOM 921 N PHE A 67 7.602 2.989 -5.256 1.00 0.00 N ATOM 922 CA PHE A 67 6.765 3.507 -4.129 1.00 0.00 C ATOM 923 C PHE A 67 7.142 4.975 -3.866 1.00 0.00 C ATOM 924 O PHE A 67 8.232 5.398 -4.202 1.00 0.00 O ATOM 925 CB PHE A 67 7.049 2.622 -2.908 1.00 0.00 C ATOM 926 CG PHE A 67 5.942 2.675 -1.846 1.00 0.00 C ATOM 927 CD1 PHE A 67 4.633 2.374 -2.176 1.00 0.00 C ATOM 928 CD2 PHE A 67 6.245 3.013 -0.541 1.00 0.00 C ATOM 929 CE1 PHE A 67 3.644 2.412 -1.217 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.256 3.050 0.416 1.00 0.00 C ATOM 931 CZ PHE A 67 3.958 2.751 0.076 1.00 0.00 C ATOM 0 H PHE A 67 8.284 2.280 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 67 5.700 3.473 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.177 1.591 -3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.991 2.931 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.384 2.107 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.263 3.249 -0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.624 2.176 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.500 3.314 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.183 2.783 0.828 1.00 0.00 H new ATOM 941 N GLY A 68 6.227 5.699 -3.276 1.00 0.00 N ATOM 942 CA GLY A 68 6.469 7.145 -2.965 1.00 0.00 C ATOM 943 C GLY A 68 5.966 7.507 -1.569 1.00 0.00 C ATOM 944 O GLY A 68 5.697 8.660 -1.292 1.00 0.00 O ATOM 0 H GLY A 68 5.312 5.349 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.535 7.361 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.968 7.767 -3.707 1.00 0.00 H new ATOM 948 N TRP A 69 5.855 6.505 -0.734 1.00 0.00 N ATOM 949 CA TRP A 69 5.374 6.708 0.669 1.00 0.00 C ATOM 950 C TRP A 69 6.242 5.848 1.601 1.00 0.00 C ATOM 951 O TRP A 69 7.321 5.446 1.205 1.00 0.00 O ATOM 952 CB TRP A 69 3.880 6.299 0.717 1.00 0.00 C ATOM 953 CG TRP A 69 3.146 7.140 -0.334 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.742 8.431 -0.178 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.806 6.740 -1.591 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.192 8.742 -1.325 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.179 7.798 -2.239 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.981 5.534 -2.252 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.733 7.648 -3.545 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.534 5.379 -3.560 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.909 6.437 -4.209 1.00 0.00 C ATOM 0 H TRP A 69 6.081 5.538 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 69 5.458 7.745 0.993 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.765 5.236 0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.465 6.475 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.851 9.057 0.695 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.796 9.666 -1.499 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.467 4.711 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.248 8.472 -4.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.672 4.437 -4.071 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.561 6.320 -5.225 1.00 0.00 H new ATOM 972 N LYS A 70 5.779 5.584 2.800 1.00 0.00 N ATOM 973 CA LYS A 70 6.580 4.752 3.747 1.00 0.00 C ATOM 974 C LYS A 70 5.653 3.776 4.483 1.00 0.00 C ATOM 975 O LYS A 70 6.103 2.780 5.017 1.00 0.00 O ATOM 976 CB LYS A 70 7.301 5.707 4.731 1.00 0.00 C ATOM 977 CG LYS A 70 8.547 4.989 5.277 1.00 0.00 C ATOM 978 CD LYS A 70 9.665 6.003 5.659 1.00 0.00 C ATOM 979 CE LYS A 70 9.252 6.927 6.815 1.00 0.00 C ATOM 980 NZ LYS A 70 10.268 7.999 6.990 1.00 0.00 N ATOM 0 H LYS A 70 4.882 5.909 3.161 1.00 0.00 H new ATOM 0 HA LYS A 70 7.325 4.159 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.586 6.629 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.634 5.984 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.275 4.399 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.925 4.293 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.566 5.457 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.916 6.607 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.276 7.368 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.155 6.352 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.984 8.622 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.191 7.571 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.340 8.555 6.114 1.00 0.00 H new ATOM 994 N SER A 71 4.385 4.105 4.485 1.00 0.00 N ATOM 995 CA SER A 71 3.352 3.264 5.152 1.00 0.00 C ATOM 996 C SER A 71 1.982 3.467 4.500 1.00 0.00 C ATOM 997 O SER A 71 1.782 4.353 3.688 1.00 0.00 O ATOM 998 CB SER A 71 3.294 3.640 6.632 1.00 0.00 C ATOM 999 OG SER A 71 3.216 5.056 6.602 1.00 0.00 O ATOM 0 H SER A 71 4.017 4.945 4.039 1.00 0.00 H new ATOM 0 HA SER A 71 3.619 2.213 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.428 3.199 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.177 3.296 7.170 1.00 0.00 H new ATOM 0 HG SER A 71 2.278 5.330 6.529 1.00 0.00 H new ATOM 1005 N ILE A 72 1.086 2.610 4.910 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.316 2.616 4.403 1.00 0.00 C ATOM 1007 C ILE A 72 -1.323 2.413 5.538 1.00 0.00 C ATOM 1008 O ILE A 72 -1.037 1.759 6.521 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.428 1.485 3.343 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -1.877 1.382 2.787 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.022 0.123 3.990 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -1.887 0.522 1.535 1.00 0.00 C ATOM 0 H ILE A 72 1.276 1.882 5.599 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.551 3.582 3.957 1.00 0.00 H new ATOM 0 HB ILE A 72 0.243 1.721 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.536 0.951 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.261 2.377 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.100 -0.671 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.005 0.183 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.687 -0.095 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.904 0.453 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.242 0.971 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.522 -0.476 1.776 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.472 3.002 5.336 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.596 2.918 6.323 1.00 0.00 C ATOM 1026 C PHE A 73 -4.758 2.264 5.574 1.00 0.00 C ATOM 1027 O PHE A 73 -5.023 2.617 4.441 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.001 4.340 6.810 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.249 4.253 7.714 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -6.512 4.134 7.157 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -5.128 4.282 9.092 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -7.629 4.044 7.960 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -6.245 4.192 9.896 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.497 4.073 9.331 1.00 0.00 C ATOM 0 H PHE A 73 -2.686 3.554 4.505 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.311 2.346 7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.176 4.794 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.206 4.982 5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.623 4.112 6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.151 4.376 9.542 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.608 3.951 7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.139 4.215 10.971 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.371 4.003 9.961 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.414 1.336 6.226 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.570 0.623 5.594 1.00 0.00 C ATOM 1046 C ILE A 74 -7.717 0.444 6.603 1.00 0.00 C ATOM 1047 O ILE A 74 -7.501 0.444 7.799 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.042 -0.750 5.073 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.888 -0.486 4.054 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.177 -1.510 4.379 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.371 -1.779 3.402 1.00 0.00 C ATOM 0 H ILE A 74 -5.197 1.039 7.177 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.976 1.203 4.765 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.674 -1.348 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.241 0.192 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.065 0.014 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.805 -2.468 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.988 -1.680 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.547 -0.923 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.570 -1.539 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.991 -2.449 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.185 -2.268 2.867 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.908 0.300 6.069 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.132 0.114 6.912 1.00 0.00 C ATOM 1065 C GLN A 75 -10.388 -1.366 7.236 1.00 0.00 C ATOM 1066 O GLN A 75 -9.720 -2.246 6.728 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.358 0.683 6.167 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.168 2.184 5.901 1.00 0.00 C ATOM 1069 CD GLN A 75 -12.486 2.756 5.366 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -12.853 2.566 4.224 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -13.229 3.466 6.172 1.00 0.00 N ATOM 0 H GLN A 75 -9.085 0.304 5.065 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.970 0.643 7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.497 0.154 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.259 0.522 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.877 2.697 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.366 2.342 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.927 3.630 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.111 3.857 5.841 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.363 -1.576 8.085 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.755 -2.954 8.518 1.00 0.00 C ATOM 1082 C CYS A 76 -13.036 -3.421 7.797 1.00 0.00 C ATOM 1083 O CYS A 76 -13.929 -2.597 7.673 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.972 -2.938 10.012 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.574 -2.600 11.116 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.051 -4.576 7.407 1.00 0.00 O ATOM 0 H CYS A 76 -11.918 -0.831 8.507 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.961 -3.654 8.259 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.741 -2.194 10.222 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.382 -3.908 10.292 1.00 0.00 H new TER 1091 CYS A 76