USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1093 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Set 2.1: A 64 TYR OH : rot 18:sc= 0.969 USER MOD Set 2.2: A 81 ASN :FLIP amide:sc= 0.385 F(o=1.1,f=1.6) USER MOD Set 2.3: A 84 HIS : no HD1:sc= -0.358 K(o=1.6,f=-1.4) USER MOD Set 2.4: A 115 TYR OH : rot 108:sc= 0.633 USER MOD Set 3.1: A 30 TYR OH : rot 7:sc= 0.00342 USER MOD Set 3.2: A 32 MET CE :methyl -127:sc= 0 (180deg=-0.0476) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.132 (180deg=-0.567) USER MOD Single : A 1 MET N :NH3+ -131:sc= -1.03 (180deg=-3.77!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.95 K(o=-0.95,f=-3.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0.0306 USER MOD Single : A 24 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.8) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.638 F(o=-1.2,f=-0.64) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -65:sc= 0.276 USER MOD Single : A 61 SER OG : rot -81:sc= 0.991 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc=-0.00689 (180deg=-0.151) USER MOD Single : A 70 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.37) USER MOD Single : A 71 ASN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.022 K(o=-0.022,f=-6.5!) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.396 F(o=-1.4,f=-0.4) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.129 F(o=-0.67,f=-0.13) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.103 K(o=0.11,f=-2!) USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.693 USER MOD Single : A 103 TYR OH : rot -49:sc= 1.02 USER MOD Single : A 104 HIS :FLIP no HE2:sc= 0.193 F(o=-0.7,f=0.19) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.312 F(o=-3.6!,f=-0.31) USER MOD Single : A 114 SER OG : rot 59:sc= 0.676 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 60:sc= -0.0368 USER MOD Single : A 122 THR OG1 : rot 76:sc= 0.566 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-2.7) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.0018 X(o=-0.0018,f=-0.0059) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.350 -10.095 -8.191 1.00 63.35 N ATOM 2 CA MET A 1 12.919 -9.535 -6.878 1.00 65.54 C ATOM 3 C MET A 1 11.409 -9.126 -6.868 1.00 35.24 C ATOM 4 O MET A 1 10.737 -9.386 -5.863 1.00 44.23 O ATOM 5 CB MET A 1 13.815 -8.339 -6.458 1.00 1.42 C ATOM 6 CG MET A 1 15.311 -8.662 -6.373 1.00 21.13 C ATOM 7 SD MET A 1 16.291 -7.241 -5.847 1.00 22.13 S ATOM 8 CE MET A 1 15.943 -6.034 -7.136 1.00 42.11 C ATOM 0 H1 MET A 1 13.863 -10.987 -8.037 1.00 63.35 H new ATOM 0 H2 MET A 1 12.514 -10.274 -8.783 1.00 63.35 H new ATOM 0 H3 MET A 1 13.974 -9.415 -8.670 1.00 63.35 H new ATOM 0 HA MET A 1 13.039 -10.332 -6.145 1.00 65.54 H new ATOM 0 HB2 MET A 1 13.672 -7.527 -7.171 1.00 1.42 H new ATOM 0 HB3 MET A 1 13.480 -7.974 -5.487 1.00 1.42 H new ATOM 0 HG2 MET A 1 15.464 -9.484 -5.674 1.00 21.13 H new ATOM 0 HG3 MET A 1 15.663 -9.002 -7.347 1.00 21.13 H new ATOM 0 HE1 MET A 1 16.704 -5.254 -7.119 1.00 42.11 H new ATOM 0 HE2 MET A 1 15.950 -6.527 -8.108 1.00 42.11 H new ATOM 0 HE3 MET A 1 14.963 -5.588 -6.962 1.00 42.11 H new ATOM 20 N PRO A 2 10.839 -8.438 -7.944 1.00 61.33 N ATOM 21 CA PRO A 2 9.359 -8.287 -8.084 1.00 20.24 C ATOM 22 C PRO A 2 8.644 -9.671 -8.136 1.00 3.12 C ATOM 23 O PRO A 2 8.643 -10.349 -9.167 1.00 3.23 O ATOM 24 CB PRO A 2 9.189 -7.480 -9.416 1.00 25.32 C ATOM 25 CG PRO A 2 10.507 -7.613 -10.126 1.00 74.44 C ATOM 26 CD PRO A 2 11.545 -7.695 -9.032 1.00 10.53 C ATOM 0 HA PRO A 2 8.904 -7.777 -7.235 1.00 20.24 H new ATOM 0 HB2 PRO A 2 8.374 -7.881 -10.019 1.00 25.32 H new ATOM 0 HB3 PRO A 2 8.953 -6.435 -9.216 1.00 25.32 H new ATOM 0 HG2 PRO A 2 10.527 -8.504 -10.754 1.00 74.44 H new ATOM 0 HG3 PRO A 2 10.690 -6.759 -10.778 1.00 74.44 H new ATOM 0 HD2 PRO A 2 12.439 -8.222 -9.365 1.00 10.53 H new ATOM 0 HD3 PRO A 2 11.862 -6.705 -8.703 1.00 10.53 H new ATOM 34 N LEU A 3 8.080 -10.093 -6.992 1.00 64.21 N ATOM 35 CA LEU A 3 7.489 -11.441 -6.824 1.00 73.01 C ATOM 36 C LEU A 3 6.006 -11.417 -7.273 1.00 54.12 C ATOM 37 O LEU A 3 5.245 -10.563 -6.837 1.00 43.24 O ATOM 38 CB LEU A 3 7.629 -11.891 -5.323 1.00 21.22 C ATOM 39 CG LEU A 3 7.872 -13.421 -5.040 1.00 74.15 C ATOM 40 CD1 LEU A 3 8.030 -13.685 -3.522 1.00 0.54 C ATOM 41 CD2 LEU A 3 6.769 -14.326 -5.649 1.00 33.32 C ATOM 0 H LEU A 3 8.018 -9.513 -6.155 1.00 64.21 H new ATOM 0 HA LEU A 3 8.018 -12.163 -7.446 1.00 73.01 H new ATOM 0 HB2 LEU A 3 8.454 -11.332 -4.880 1.00 21.22 H new ATOM 0 HB3 LEU A 3 6.723 -11.592 -4.797 1.00 21.22 H new ATOM 0 HG LEU A 3 8.804 -13.687 -5.538 1.00 74.15 H new ATOM 0 HD11 LEU A 3 8.197 -14.749 -3.353 1.00 0.54 H new ATOM 0 HD12 LEU A 3 8.880 -13.119 -3.141 1.00 0.54 H new ATOM 0 HD13 LEU A 3 7.124 -13.373 -3.002 1.00 0.54 H new ATOM 0 HD21 LEU A 3 6.988 -15.369 -5.423 1.00 33.32 H new ATOM 0 HD22 LEU A 3 5.802 -14.058 -5.223 1.00 33.32 H new ATOM 0 HD23 LEU A 3 6.740 -14.188 -6.730 1.00 33.32 H new ATOM 53 N GLU A 4 5.602 -12.376 -8.123 1.00 60.44 N ATOM 54 CA GLU A 4 4.217 -12.454 -8.642 1.00 11.53 C ATOM 55 C GLU A 4 3.494 -13.683 -8.063 1.00 45.34 C ATOM 56 O GLU A 4 4.071 -14.766 -7.960 1.00 63.21 O ATOM 57 CB GLU A 4 4.214 -12.514 -10.199 1.00 32.22 C ATOM 58 CG GLU A 4 2.804 -12.558 -10.841 1.00 34.04 C ATOM 59 CD GLU A 4 2.826 -12.541 -12.382 1.00 71.32 C ATOM 60 OE1 GLU A 4 3.003 -13.616 -12.997 1.00 41.14 O ATOM 61 OE2 GLU A 4 2.676 -11.454 -12.984 1.00 20.45 O ATOM 0 H GLU A 4 6.215 -13.114 -8.469 1.00 60.44 H new ATOM 0 HA GLU A 4 3.686 -11.555 -8.330 1.00 11.53 H new ATOM 0 HB2 GLU A 4 4.747 -11.645 -10.584 1.00 32.22 H new ATOM 0 HB3 GLU A 4 4.771 -13.396 -10.516 1.00 32.22 H new ATOM 0 HG2 GLU A 4 2.288 -13.457 -10.503 1.00 34.04 H new ATOM 0 HG3 GLU A 4 2.225 -11.706 -10.485 1.00 34.04 H new ATOM 68 N TRP A 5 2.235 -13.482 -7.657 1.00 44.22 N ATOM 69 CA TRP A 5 1.347 -14.543 -7.159 1.00 62.22 C ATOM 70 C TRP A 5 0.356 -15.001 -8.250 1.00 74.14 C ATOM 71 O TRP A 5 -0.105 -14.198 -9.071 1.00 43.02 O ATOM 72 CB TRP A 5 0.579 -14.066 -5.896 1.00 12.23 C ATOM 73 CG TRP A 5 -0.269 -15.144 -5.268 1.00 21.23 C ATOM 74 CD1 TRP A 5 0.174 -16.292 -4.676 1.00 1.41 C ATOM 75 CD2 TRP A 5 -1.697 -15.182 -5.187 1.00 21.02 C ATOM 76 NE1 TRP A 5 -0.888 -17.044 -4.259 1.00 40.24 N ATOM 77 CE2 TRP A 5 -2.044 -16.384 -4.552 1.00 33.20 C ATOM 78 CE3 TRP A 5 -2.712 -14.320 -5.596 1.00 4.23 C ATOM 79 CZ2 TRP A 5 -3.360 -16.746 -4.313 1.00 31.44 C ATOM 80 CZ3 TRP A 5 -4.019 -14.681 -5.355 1.00 5.03 C ATOM 81 CH2 TRP A 5 -4.333 -15.885 -4.725 1.00 55.01 C ATOM 0 H TRP A 5 1.795 -12.562 -7.665 1.00 44.22 H new ATOM 0 HA TRP A 5 1.968 -15.397 -6.888 1.00 62.22 H new ATOM 0 HB2 TRP A 5 1.296 -13.703 -5.160 1.00 12.23 H new ATOM 0 HB3 TRP A 5 -0.058 -13.223 -6.164 1.00 12.23 H new ATOM 0 HD1 TRP A 5 1.212 -16.566 -4.555 1.00 1.41 H new ATOM 0 HE1 TRP A 5 -0.826 -17.954 -3.802 1.00 40.24 H new ATOM 0 HE3 TRP A 5 -2.479 -13.389 -6.091 1.00 4.23 H new ATOM 0 HZ2 TRP A 5 -3.605 -17.675 -3.819 1.00 31.44 H new ATOM 0 HZ3 TRP A 5 -4.816 -14.019 -5.660 1.00 5.03 H new ATOM 0 HH2 TRP A 5 -5.369 -16.141 -4.560 1.00 55.01 H new ATOM 92 N ARG A 6 0.027 -16.300 -8.226 1.00 65.13 N ATOM 93 CA ARG A 6 -1.019 -16.902 -9.076 1.00 51.22 C ATOM 94 C ARG A 6 -1.925 -17.832 -8.242 1.00 43.41 C ATOM 95 O ARG A 6 -1.503 -18.366 -7.213 1.00 31.22 O ATOM 96 CB ARG A 6 -0.416 -17.682 -10.285 1.00 4.34 C ATOM 97 CG ARG A 6 0.599 -18.817 -9.943 1.00 42.30 C ATOM 98 CD ARG A 6 2.015 -18.295 -9.612 1.00 5.51 C ATOM 99 NE ARG A 6 2.531 -17.425 -10.686 1.00 64.11 N ATOM 100 CZ ARG A 6 3.658 -16.755 -10.666 1.00 63.14 C ATOM 101 NH1 ARG A 6 4.498 -16.875 -9.698 1.00 72.02 N ATOM 102 NH2 ARG A 6 3.937 -15.955 -11.627 1.00 51.31 N ATOM 0 H ARG A 6 0.483 -16.973 -7.610 1.00 65.13 H new ATOM 0 HA ARG A 6 -1.617 -16.084 -9.478 1.00 51.22 H new ATOM 0 HB2 ARG A 6 -1.237 -18.118 -10.854 1.00 4.34 H new ATOM 0 HB3 ARG A 6 0.080 -16.966 -10.940 1.00 4.34 H new ATOM 0 HG2 ARG A 6 0.222 -19.387 -9.094 1.00 42.30 H new ATOM 0 HG3 ARG A 6 0.661 -19.505 -10.786 1.00 42.30 H new ATOM 0 HD2 ARG A 6 1.991 -17.742 -8.673 1.00 5.51 H new ATOM 0 HD3 ARG A 6 2.691 -19.138 -9.468 1.00 5.51 H new ATOM 0 HE ARG A 6 1.956 -17.336 -11.524 1.00 64.11 H new ATOM 0 HH11 ARG A 6 4.294 -17.504 -8.921 1.00 72.02 H new ATOM 0 HH12 ARG A 6 5.367 -16.342 -9.708 1.00 72.02 H new ATOM 0 HH21 ARG A 6 3.284 -15.842 -12.402 1.00 51.31 H new ATOM 0 HH22 ARG A 6 4.812 -15.431 -11.617 1.00 51.31 H new ATOM 116 N ALA A 7 -3.170 -18.025 -8.715 1.00 64.32 N ATOM 117 CA ALA A 7 -4.102 -19.003 -8.116 1.00 35.41 C ATOM 118 C ALA A 7 -3.570 -20.437 -8.373 1.00 15.45 C ATOM 119 O ALA A 7 -3.227 -20.781 -9.511 1.00 53.21 O ATOM 120 CB ALA A 7 -5.519 -18.821 -8.686 1.00 63.02 C ATOM 0 H ALA A 7 -3.556 -17.517 -9.511 1.00 64.32 H new ATOM 0 HA ALA A 7 -4.162 -18.838 -7.040 1.00 35.41 H new ATOM 0 HB1 ALA A 7 -6.190 -19.550 -8.232 1.00 63.02 H new ATOM 0 HB2 ALA A 7 -5.874 -17.814 -8.464 1.00 63.02 H new ATOM 0 HB3 ALA A 7 -5.499 -18.969 -9.766 1.00 63.02 H new ATOM 126 N GLY A 8 -3.497 -21.254 -7.310 1.00 12.45 N ATOM 127 CA GLY A 8 -2.860 -22.588 -7.372 1.00 34.40 C ATOM 128 C GLY A 8 -1.449 -22.621 -6.759 1.00 53.32 C ATOM 129 O GLY A 8 -0.829 -23.686 -6.686 1.00 25.13 O ATOM 0 H GLY A 8 -3.872 -21.016 -6.392 1.00 12.45 H new ATOM 0 HA2 GLY A 8 -3.491 -23.308 -6.851 1.00 34.40 H new ATOM 0 HA3 GLY A 8 -2.803 -22.907 -8.413 1.00 34.40 H new ATOM 133 N ALA A 9 -0.941 -21.443 -6.328 1.00 12.42 N ATOM 134 CA ALA A 9 0.349 -21.316 -5.599 1.00 22.22 C ATOM 135 C ALA A 9 0.248 -21.915 -4.167 1.00 15.33 C ATOM 136 O ALA A 9 -0.837 -21.951 -3.575 1.00 74.05 O ATOM 137 CB ALA A 9 0.788 -19.836 -5.544 1.00 63.35 C ATOM 0 H ALA A 9 -1.413 -20.551 -6.475 1.00 12.42 H new ATOM 0 HA ALA A 9 1.104 -21.884 -6.142 1.00 22.22 H new ATOM 0 HB1 ALA A 9 1.734 -19.757 -5.008 1.00 63.35 H new ATOM 0 HB2 ALA A 9 0.913 -19.456 -6.558 1.00 63.35 H new ATOM 0 HB3 ALA A 9 0.028 -19.250 -5.028 1.00 63.35 H new ATOM 143 N SER A 10 1.391 -22.359 -3.614 1.00 0.51 N ATOM 144 CA SER A 10 1.447 -23.036 -2.289 1.00 32.12 C ATOM 145 C SER A 10 1.444 -21.997 -1.143 1.00 63.14 C ATOM 146 O SER A 10 1.875 -20.857 -1.337 1.00 32.52 O ATOM 147 CB SER A 10 2.710 -23.933 -2.198 1.00 40.31 C ATOM 148 OG SER A 10 2.739 -24.669 -0.981 1.00 42.42 O ATOM 0 H SER A 10 2.302 -22.263 -4.063 1.00 0.51 H new ATOM 0 HA SER A 10 0.561 -23.663 -2.186 1.00 32.12 H new ATOM 0 HB2 SER A 10 2.730 -24.622 -3.042 1.00 40.31 H new ATOM 0 HB3 SER A 10 3.604 -23.314 -2.271 1.00 40.31 H new ATOM 0 HG SER A 10 3.545 -25.225 -0.954 1.00 42.42 H new ATOM 154 N SER A 11 0.969 -22.412 0.052 1.00 65.30 N ATOM 155 CA SER A 11 0.696 -21.490 1.193 1.00 74.32 C ATOM 156 C SER A 11 1.959 -20.754 1.696 1.00 54.53 C ATOM 157 O SER A 11 1.881 -19.580 2.052 1.00 23.22 O ATOM 158 CB SER A 11 0.025 -22.250 2.360 1.00 45.31 C ATOM 159 OG SER A 11 0.861 -23.277 2.887 1.00 74.12 O ATOM 0 H SER A 11 0.763 -23.389 0.259 1.00 65.30 H new ATOM 0 HA SER A 11 0.015 -20.728 0.813 1.00 74.32 H new ATOM 0 HB2 SER A 11 -0.226 -21.546 3.153 1.00 45.31 H new ATOM 0 HB3 SER A 11 -0.912 -22.688 2.015 1.00 45.31 H new ATOM 0 HG SER A 11 0.399 -23.730 3.623 1.00 74.12 H new ATOM 165 N ASP A 12 3.114 -21.448 1.705 1.00 23.21 N ATOM 166 CA ASP A 12 4.412 -20.852 2.117 1.00 31.23 C ATOM 167 C ASP A 12 4.893 -19.783 1.098 1.00 63.03 C ATOM 168 O ASP A 12 5.519 -18.781 1.484 1.00 13.25 O ATOM 169 CB ASP A 12 5.484 -21.958 2.306 1.00 72.24 C ATOM 170 CG ASP A 12 6.814 -21.414 2.870 1.00 5.10 C ATOM 171 OD1 ASP A 12 6.862 -21.060 4.072 1.00 32.31 O ATOM 172 OD2 ASP A 12 7.814 -21.326 2.123 1.00 45.14 O ATOM 0 H ASP A 12 3.180 -22.428 1.431 1.00 23.21 H new ATOM 0 HA ASP A 12 4.262 -20.351 3.073 1.00 31.23 H new ATOM 0 HB2 ASP A 12 5.095 -22.723 2.979 1.00 72.24 H new ATOM 0 HB3 ASP A 12 5.672 -22.442 1.348 1.00 72.24 H new ATOM 177 N GLU A 13 4.590 -20.007 -0.205 1.00 63.51 N ATOM 178 CA GLU A 13 4.844 -19.007 -1.275 1.00 74.33 C ATOM 179 C GLU A 13 4.021 -17.728 -1.016 1.00 20.05 C ATOM 180 O GLU A 13 4.557 -16.615 -1.080 1.00 50.44 O ATOM 181 CB GLU A 13 4.500 -19.574 -2.686 1.00 2.55 C ATOM 182 CG GLU A 13 5.292 -20.836 -3.078 1.00 60.14 C ATOM 183 CD GLU A 13 5.019 -21.298 -4.521 1.00 35.01 C ATOM 184 OE1 GLU A 13 5.594 -20.708 -5.458 1.00 13.20 O ATOM 185 OE2 GLU A 13 4.229 -22.240 -4.729 1.00 54.33 O ATOM 0 H GLU A 13 4.169 -20.873 -0.542 1.00 63.51 H new ATOM 0 HA GLU A 13 5.907 -18.769 -1.255 1.00 74.33 H new ATOM 0 HB2 GLU A 13 3.435 -19.803 -2.722 1.00 2.55 H new ATOM 0 HB3 GLU A 13 4.684 -18.799 -3.430 1.00 2.55 H new ATOM 0 HG2 GLU A 13 6.358 -20.639 -2.962 1.00 60.14 H new ATOM 0 HG3 GLU A 13 5.040 -21.644 -2.391 1.00 60.14 H new ATOM 192 N ILE A 14 2.722 -17.913 -0.685 1.00 40.55 N ATOM 193 CA ILE A 14 1.800 -16.791 -0.391 1.00 41.24 C ATOM 194 C ILE A 14 2.249 -16.033 0.882 1.00 53.15 C ATOM 195 O ILE A 14 2.189 -14.820 0.917 1.00 53.23 O ATOM 196 CB ILE A 14 0.297 -17.253 -0.214 1.00 33.34 C ATOM 197 CG1 ILE A 14 -0.120 -18.265 -1.329 1.00 10.11 C ATOM 198 CG2 ILE A 14 -0.660 -16.025 -0.209 1.00 63.24 C ATOM 199 CD1 ILE A 14 -1.579 -18.714 -1.296 1.00 13.43 C ATOM 0 H ILE A 14 2.287 -18.833 -0.615 1.00 40.55 H new ATOM 0 HA ILE A 14 1.844 -16.132 -1.258 1.00 41.24 H new ATOM 0 HB ILE A 14 0.217 -17.760 0.748 1.00 33.34 H new ATOM 0 HG12 ILE A 14 0.081 -17.812 -2.300 1.00 10.11 H new ATOM 0 HG13 ILE A 14 0.515 -19.147 -1.251 1.00 10.11 H new ATOM 0 HG21 ILE A 14 -1.688 -16.365 -0.086 1.00 63.24 H new ATOM 0 HG22 ILE A 14 -0.397 -15.362 0.615 1.00 63.24 H new ATOM 0 HG23 ILE A 14 -0.566 -15.487 -1.152 1.00 63.24 H new ATOM 0 HD11 ILE A 14 -1.763 -19.414 -2.111 1.00 13.43 H new ATOM 0 HD12 ILE A 14 -1.788 -19.202 -0.344 1.00 13.43 H new ATOM 0 HD13 ILE A 14 -2.229 -17.847 -1.409 1.00 13.43 H new ATOM 211 N ASN A 15 2.714 -16.770 1.916 1.00 3.54 N ATOM 212 CA ASN A 15 3.207 -16.180 3.195 1.00 12.13 C ATOM 213 C ASN A 15 4.461 -15.293 2.984 1.00 22.32 C ATOM 214 O ASN A 15 4.621 -14.266 3.650 1.00 23.51 O ATOM 215 CB ASN A 15 3.516 -17.296 4.230 1.00 71.21 C ATOM 216 CG ASN A 15 2.262 -18.010 4.744 1.00 22.24 C ATOM 217 OD1 ASN A 15 1.189 -17.424 4.835 1.00 73.31 O ATOM 218 ND2 ASN A 15 2.387 -19.280 5.086 1.00 22.44 N ATOM 0 H ASN A 15 2.761 -17.789 1.894 1.00 3.54 H new ATOM 0 HA ASN A 15 2.410 -15.543 3.579 1.00 12.13 H new ATOM 0 HB2 ASN A 15 4.182 -18.029 3.775 1.00 71.21 H new ATOM 0 HB3 ASN A 15 4.050 -16.861 5.075 1.00 71.21 H new ATOM 0 HD21 ASN A 15 1.579 -19.796 5.435 1.00 22.44 H new ATOM 0 HD22 ASN A 15 3.291 -19.745 5.001 1.00 22.44 H new ATOM 225 N ALA A 16 5.344 -15.705 2.055 1.00 42.32 N ATOM 226 CA ALA A 16 6.534 -14.906 1.662 1.00 72.25 C ATOM 227 C ALA A 16 6.128 -13.619 0.897 1.00 24.21 C ATOM 228 O ALA A 16 6.768 -12.577 1.032 1.00 23.21 O ATOM 229 CB ALA A 16 7.491 -15.761 0.816 1.00 2.31 C ATOM 0 H ALA A 16 5.260 -16.591 1.557 1.00 42.32 H new ATOM 0 HA ALA A 16 7.048 -14.597 2.572 1.00 72.25 H new ATOM 0 HB1 ALA A 16 8.359 -15.165 0.534 1.00 2.31 H new ATOM 0 HB2 ALA A 16 7.817 -16.624 1.396 1.00 2.31 H new ATOM 0 HB3 ALA A 16 6.977 -16.101 -0.083 1.00 2.31 H new ATOM 235 N ILE A 17 5.052 -13.725 0.098 1.00 73.41 N ATOM 236 CA ILE A 17 4.447 -12.595 -0.657 1.00 14.34 C ATOM 237 C ILE A 17 3.758 -11.583 0.297 1.00 13.41 C ATOM 238 O ILE A 17 3.922 -10.375 0.155 1.00 5.53 O ATOM 239 CB ILE A 17 3.437 -13.183 -1.722 1.00 24.10 C ATOM 240 CG1 ILE A 17 4.238 -13.956 -2.824 1.00 32.41 C ATOM 241 CG2 ILE A 17 2.499 -12.112 -2.341 1.00 33.44 C ATOM 242 CD1 ILE A 17 3.406 -14.816 -3.754 1.00 24.01 C ATOM 0 H ILE A 17 4.565 -14.609 -0.049 1.00 73.41 H new ATOM 0 HA ILE A 17 5.229 -12.040 -1.176 1.00 14.34 H new ATOM 0 HB ILE A 17 2.774 -13.873 -1.201 1.00 24.10 H new ATOM 0 HG12 ILE A 17 4.789 -13.231 -3.424 1.00 32.41 H new ATOM 0 HG13 ILE A 17 4.976 -14.591 -2.334 1.00 32.41 H new ATOM 0 HG21 ILE A 17 1.833 -12.585 -3.063 1.00 33.44 H new ATOM 0 HG22 ILE A 17 1.908 -11.647 -1.552 1.00 33.44 H new ATOM 0 HG23 ILE A 17 3.097 -11.351 -2.843 1.00 33.44 H new ATOM 0 HD11 ILE A 17 4.058 -15.306 -4.477 1.00 24.01 H new ATOM 0 HD12 ILE A 17 2.875 -15.571 -3.174 1.00 24.01 H new ATOM 0 HD13 ILE A 17 2.685 -14.190 -4.281 1.00 24.01 H new ATOM 254 N ILE A 18 3.021 -12.117 1.277 1.00 22.42 N ATOM 255 CA ILE A 18 2.352 -11.346 2.349 1.00 61.34 C ATOM 256 C ILE A 18 3.384 -10.554 3.188 1.00 10.55 C ATOM 257 O ILE A 18 3.216 -9.366 3.441 1.00 30.20 O ATOM 258 CB ILE A 18 1.531 -12.346 3.260 1.00 52.23 C ATOM 259 CG1 ILE A 18 0.290 -12.896 2.487 1.00 33.15 C ATOM 260 CG2 ILE A 18 1.108 -11.723 4.609 1.00 45.34 C ATOM 261 CD1 ILE A 18 -0.396 -14.077 3.146 1.00 74.34 C ATOM 0 H ILE A 18 2.865 -13.122 1.355 1.00 22.42 H new ATOM 0 HA ILE A 18 1.672 -10.620 1.903 1.00 61.34 H new ATOM 0 HB ILE A 18 2.197 -13.175 3.499 1.00 52.23 H new ATOM 0 HG12 ILE A 18 -0.435 -12.090 2.372 1.00 33.15 H new ATOM 0 HG13 ILE A 18 0.604 -13.189 1.485 1.00 33.15 H new ATOM 0 HG21 ILE A 18 0.549 -12.457 5.189 1.00 45.34 H new ATOM 0 HG22 ILE A 18 1.996 -11.421 5.165 1.00 45.34 H new ATOM 0 HG23 ILE A 18 0.481 -10.851 4.426 1.00 45.34 H new ATOM 0 HD11 ILE A 18 -1.245 -14.390 2.539 1.00 74.34 H new ATOM 0 HD12 ILE A 18 0.309 -14.903 3.237 1.00 74.34 H new ATOM 0 HD13 ILE A 18 -0.746 -13.788 4.137 1.00 74.34 H new ATOM 273 N ARG A 19 4.454 -11.248 3.590 1.00 11.33 N ATOM 274 CA ARG A 19 5.593 -10.663 4.332 1.00 4.15 C ATOM 275 C ARG A 19 6.363 -9.617 3.488 1.00 42.12 C ATOM 276 O ARG A 19 6.816 -8.594 4.019 1.00 65.00 O ATOM 277 CB ARG A 19 6.521 -11.823 4.794 1.00 73.41 C ATOM 278 CG ARG A 19 7.920 -11.414 5.314 1.00 43.03 C ATOM 279 CD ARG A 19 8.629 -12.558 6.067 1.00 45.30 C ATOM 280 NE ARG A 19 8.648 -13.819 5.291 1.00 21.42 N ATOM 281 CZ ARG A 19 9.621 -14.235 4.507 1.00 75.33 C ATOM 282 NH1 ARG A 19 10.683 -13.514 4.306 1.00 63.34 N ATOM 283 NH2 ARG A 19 9.508 -15.377 3.904 1.00 72.04 N ATOM 0 H ARG A 19 4.562 -12.246 3.410 1.00 11.33 H new ATOM 0 HA ARG A 19 5.217 -10.123 5.201 1.00 4.15 H new ATOM 0 HB2 ARG A 19 6.011 -12.376 5.582 1.00 73.41 H new ATOM 0 HB3 ARG A 19 6.654 -12.509 3.958 1.00 73.41 H new ATOM 0 HG2 ARG A 19 8.538 -11.099 4.474 1.00 43.03 H new ATOM 0 HG3 ARG A 19 7.821 -10.554 5.977 1.00 43.03 H new ATOM 0 HD2 ARG A 19 9.652 -12.260 6.295 1.00 45.30 H new ATOM 0 HD3 ARG A 19 8.127 -12.728 7.019 1.00 45.30 H new ATOM 0 HE ARG A 19 7.830 -14.423 5.371 1.00 21.42 H new ATOM 0 HH11 ARG A 19 10.776 -12.605 4.760 1.00 63.34 H new ATOM 0 HH12 ARG A 19 11.424 -13.857 3.695 1.00 63.34 H new ATOM 0 HH21 ARG A 19 8.671 -15.944 4.039 1.00 72.04 H new ATOM 0 HH22 ARG A 19 10.256 -15.708 3.295 1.00 72.04 H new ATOM 297 N ALA A 20 6.483 -9.879 2.174 1.00 1.43 N ATOM 298 CA ALA A 20 7.104 -8.936 1.212 1.00 75.33 C ATOM 299 C ALA A 20 6.285 -7.629 1.096 1.00 75.11 C ATOM 300 O ALA A 20 6.854 -6.544 1.004 1.00 62.02 O ATOM 301 CB ALA A 20 7.262 -9.599 -0.167 1.00 72.43 C ATOM 0 H ALA A 20 6.155 -10.745 1.746 1.00 1.43 H new ATOM 0 HA ALA A 20 8.093 -8.677 1.590 1.00 75.33 H new ATOM 0 HB1 ALA A 20 7.719 -8.893 -0.860 1.00 72.43 H new ATOM 0 HB2 ALA A 20 7.896 -10.481 -0.076 1.00 72.43 H new ATOM 0 HB3 ALA A 20 6.282 -9.894 -0.543 1.00 72.43 H new ATOM 307 N VAL A 21 4.942 -7.765 1.126 1.00 60.00 N ATOM 308 CA VAL A 21 4.008 -6.618 1.123 1.00 20.40 C ATOM 309 C VAL A 21 4.112 -5.829 2.452 1.00 22.11 C ATOM 310 O VAL A 21 4.321 -4.628 2.432 1.00 73.02 O ATOM 311 CB VAL A 21 2.516 -7.083 0.893 1.00 71.44 C ATOM 312 CG1 VAL A 21 1.515 -5.920 1.094 1.00 21.02 C ATOM 313 CG2 VAL A 21 2.333 -7.716 -0.509 1.00 52.20 C ATOM 0 H VAL A 21 4.475 -8.671 1.153 1.00 60.00 H new ATOM 0 HA VAL A 21 4.293 -5.969 0.295 1.00 20.40 H new ATOM 0 HB VAL A 21 2.302 -7.843 1.644 1.00 71.44 H new ATOM 0 HG11 VAL A 21 0.500 -6.281 0.927 1.00 21.02 H new ATOM 0 HG12 VAL A 21 1.601 -5.537 2.111 1.00 21.02 H new ATOM 0 HG13 VAL A 21 1.738 -5.122 0.386 1.00 21.02 H new ATOM 0 HG21 VAL A 21 1.296 -8.025 -0.636 1.00 52.20 H new ATOM 0 HG22 VAL A 21 2.590 -6.984 -1.275 1.00 52.20 H new ATOM 0 HG23 VAL A 21 2.985 -8.584 -0.604 1.00 52.20 H new ATOM 323 N TYR A 22 3.985 -6.537 3.592 1.00 52.13 N ATOM 324 CA TYR A 22 4.059 -5.939 4.953 1.00 52.11 C ATOM 325 C TYR A 22 5.361 -5.111 5.171 1.00 41.45 C ATOM 326 O TYR A 22 5.303 -3.955 5.596 1.00 74.41 O ATOM 327 CB TYR A 22 3.958 -7.052 6.044 1.00 71.44 C ATOM 328 CG TYR A 22 2.545 -7.401 6.554 1.00 71.54 C ATOM 329 CD1 TYR A 22 1.816 -6.492 7.335 1.00 14.34 C ATOM 330 CD2 TYR A 22 1.961 -8.635 6.289 1.00 71.32 C ATOM 331 CE1 TYR A 22 0.556 -6.812 7.825 1.00 52.44 C ATOM 332 CE2 TYR A 22 0.711 -8.957 6.781 1.00 22.12 C ATOM 333 CZ TYR A 22 0.011 -8.050 7.541 1.00 40.53 C ATOM 334 OH TYR A 22 -1.232 -8.396 8.035 1.00 21.15 O ATOM 0 H TYR A 22 3.827 -7.545 3.602 1.00 52.13 H new ATOM 0 HA TYR A 22 3.214 -5.256 5.042 1.00 52.11 H new ATOM 0 HB2 TYR A 22 4.409 -7.961 5.645 1.00 71.44 H new ATOM 0 HB3 TYR A 22 4.561 -6.746 6.899 1.00 71.44 H new ATOM 0 HD1 TYR A 22 2.242 -5.525 7.560 1.00 14.34 H new ATOM 0 HD2 TYR A 22 2.495 -9.355 5.687 1.00 71.32 H new ATOM 0 HE1 TYR A 22 0.007 -6.099 8.423 1.00 52.44 H new ATOM 0 HE2 TYR A 22 0.282 -9.925 6.568 1.00 22.12 H new ATOM 0 HH TYR A 22 -1.462 -9.301 7.737 1.00 21.15 H new ATOM 344 N ARG A 23 6.527 -5.716 4.869 1.00 63.31 N ATOM 345 CA ARG A 23 7.851 -5.069 5.075 1.00 61.25 C ATOM 346 C ARG A 23 8.050 -3.880 4.105 1.00 73.40 C ATOM 347 O ARG A 23 8.744 -2.916 4.428 1.00 54.34 O ATOM 348 CB ARG A 23 9.002 -6.101 4.916 1.00 52.31 C ATOM 349 CG ARG A 23 10.387 -5.586 5.390 1.00 43.11 C ATOM 350 CD ARG A 23 11.521 -6.608 5.198 1.00 31.23 C ATOM 351 NE ARG A 23 12.794 -6.141 5.790 1.00 54.31 N ATOM 352 CZ ARG A 23 13.808 -5.604 5.142 1.00 44.20 C ATOM 353 NH1 ARG A 23 13.772 -5.410 3.860 1.00 3.11 N ATOM 354 NH2 ARG A 23 14.867 -5.252 5.793 1.00 45.25 N ATOM 0 H ARG A 23 6.585 -6.657 4.479 1.00 63.31 H new ATOM 0 HA ARG A 23 7.875 -4.681 6.093 1.00 61.25 H new ATOM 0 HB2 ARG A 23 8.749 -7.000 5.478 1.00 52.31 H new ATOM 0 HB3 ARG A 23 9.074 -6.390 3.867 1.00 52.31 H new ATOM 0 HG2 ARG A 23 10.633 -4.675 4.844 1.00 43.11 H new ATOM 0 HG3 ARG A 23 10.325 -5.318 6.445 1.00 43.11 H new ATOM 0 HD2 ARG A 23 11.236 -7.556 5.654 1.00 31.23 H new ATOM 0 HD3 ARG A 23 11.663 -6.796 4.134 1.00 31.23 H new ATOM 0 HE ARG A 23 12.897 -6.245 6.799 1.00 54.31 H new ATOM 0 HH11 ARG A 23 12.944 -5.675 3.327 1.00 3.11 H new ATOM 0 HH12 ARG A 23 14.572 -4.992 3.385 1.00 3.11 H new ATOM 0 HH21 ARG A 23 14.915 -5.390 6.802 1.00 45.25 H new ATOM 0 HH22 ARG A 23 15.655 -4.836 5.297 1.00 45.25 H new ATOM 368 N GLN A 24 7.445 -3.973 2.910 1.00 13.41 N ATOM 369 CA GLN A 24 7.477 -2.888 1.907 1.00 61.51 C ATOM 370 C GLN A 24 6.579 -1.694 2.327 1.00 53.31 C ATOM 371 O GLN A 24 7.006 -0.536 2.242 1.00 3.44 O ATOM 372 CB GLN A 24 7.055 -3.454 0.521 1.00 11.43 C ATOM 373 CG GLN A 24 6.970 -2.426 -0.627 1.00 75.31 C ATOM 374 CD GLN A 24 8.254 -1.616 -0.863 1.00 65.25 C ATOM 375 OE1 GLN A 24 9.368 -2.074 -0.611 1.00 71.45 O ATOM 376 NE2 GLN A 24 8.109 -0.402 -1.361 1.00 61.55 N ATOM 0 H GLN A 24 6.922 -4.796 2.610 1.00 13.41 H new ATOM 0 HA GLN A 24 8.495 -2.504 1.839 1.00 61.51 H new ATOM 0 HB2 GLN A 24 7.764 -4.231 0.236 1.00 11.43 H new ATOM 0 HB3 GLN A 24 6.082 -3.934 0.627 1.00 11.43 H new ATOM 0 HG2 GLN A 24 6.714 -2.951 -1.547 1.00 75.31 H new ATOM 0 HG3 GLN A 24 6.154 -1.734 -0.417 1.00 75.31 H new ATOM 0 HE21 GLN A 24 7.176 -0.042 -1.563 1.00 61.55 H new ATOM 0 HE22 GLN A 24 8.930 0.176 -1.544 1.00 61.55 H new ATOM 385 N VAL A 25 5.363 -1.990 2.829 1.00 32.51 N ATOM 386 CA VAL A 25 4.370 -0.958 3.189 1.00 53.24 C ATOM 387 C VAL A 25 4.759 -0.231 4.500 1.00 1.41 C ATOM 388 O VAL A 25 4.659 0.977 4.569 1.00 13.12 O ATOM 389 CB VAL A 25 2.906 -1.537 3.292 1.00 32.45 C ATOM 390 CG1 VAL A 25 1.887 -0.461 3.770 1.00 31.12 C ATOM 391 CG2 VAL A 25 2.452 -2.149 1.938 1.00 2.24 C ATOM 0 H VAL A 25 5.043 -2.944 2.995 1.00 32.51 H new ATOM 0 HA VAL A 25 4.375 -0.232 2.376 1.00 53.24 H new ATOM 0 HB VAL A 25 2.928 -2.328 4.042 1.00 32.45 H new ATOM 0 HG11 VAL A 25 0.892 -0.902 3.827 1.00 31.12 H new ATOM 0 HG12 VAL A 25 2.179 -0.096 4.755 1.00 31.12 H new ATOM 0 HG13 VAL A 25 1.876 0.369 3.064 1.00 31.12 H new ATOM 0 HG21 VAL A 25 1.440 -2.541 2.037 1.00 2.24 H new ATOM 0 HG22 VAL A 25 2.469 -1.379 1.167 1.00 2.24 H new ATOM 0 HG23 VAL A 25 3.128 -2.957 1.659 1.00 2.24 H new ATOM 401 N LEU A 26 5.228 -0.954 5.528 1.00 51.11 N ATOM 402 CA LEU A 26 5.687 -0.309 6.791 1.00 42.53 C ATOM 403 C LEU A 26 7.154 0.198 6.674 1.00 12.00 C ATOM 404 O LEU A 26 7.576 1.054 7.457 1.00 32.43 O ATOM 405 CB LEU A 26 5.506 -1.242 8.033 1.00 4.14 C ATOM 406 CG LEU A 26 4.021 -1.499 8.501 1.00 4.24 C ATOM 407 CD1 LEU A 26 3.288 -2.537 7.617 1.00 33.33 C ATOM 408 CD2 LEU A 26 3.952 -1.889 9.998 1.00 54.24 C ATOM 0 H LEU A 26 5.303 -1.971 5.522 1.00 51.11 H new ATOM 0 HA LEU A 26 5.047 0.559 6.949 1.00 42.53 H new ATOM 0 HB2 LEU A 26 5.966 -2.204 7.808 1.00 4.14 H new ATOM 0 HB3 LEU A 26 6.059 -0.812 8.868 1.00 4.14 H new ATOM 0 HG LEU A 26 3.494 -0.553 8.378 1.00 4.24 H new ATOM 0 HD11 LEU A 26 2.271 -2.675 7.985 1.00 33.33 H new ATOM 0 HD12 LEU A 26 3.257 -2.181 6.587 1.00 33.33 H new ATOM 0 HD13 LEU A 26 3.819 -3.488 7.656 1.00 33.33 H new ATOM 0 HD21 LEU A 26 2.913 -2.058 10.283 1.00 54.24 H new ATOM 0 HD22 LEU A 26 4.526 -2.801 10.163 1.00 54.24 H new ATOM 0 HD23 LEU A 26 4.368 -1.084 10.603 1.00 54.24 H new ATOM 420 N GLY A 27 7.917 -0.333 5.691 1.00 25.22 N ATOM 421 CA GLY A 27 9.338 0.055 5.478 1.00 13.42 C ATOM 422 C GLY A 27 10.300 -0.736 6.373 1.00 60.25 C ATOM 423 O GLY A 27 11.254 -1.360 5.900 1.00 45.13 O ATOM 0 H GLY A 27 7.576 -1.032 5.031 1.00 25.22 H new ATOM 0 HA2 GLY A 27 9.603 -0.106 4.433 1.00 13.42 H new ATOM 0 HA3 GLY A 27 9.455 1.120 5.676 1.00 13.42 H new ATOM 427 N ASN A 28 10.025 -0.683 7.683 1.00 31.13 N ATOM 428 CA ASN A 28 10.682 -1.513 8.720 1.00 60.11 C ATOM 429 C ASN A 28 10.225 -3.005 8.598 1.00 52.32 C ATOM 430 O ASN A 28 9.365 -3.333 7.769 1.00 63.41 O ATOM 431 CB ASN A 28 10.308 -0.897 10.108 1.00 73.23 C ATOM 432 CG ASN A 28 11.072 -1.478 11.303 1.00 64.54 C ATOM 433 OD1 ASN A 28 10.521 -2.494 11.951 1.00 11.24 O flip ATOM 434 ND2 ASN A 28 12.151 -1.014 11.649 1.00 34.32 N flip ATOM 0 H ASN A 28 9.324 -0.049 8.067 1.00 31.13 H new ATOM 0 HA ASN A 28 11.765 -1.514 8.598 1.00 60.11 H new ATOM 0 HB2 ASN A 28 10.485 0.178 10.071 1.00 73.23 H new ATOM 0 HB3 ASN A 28 9.240 -1.039 10.275 1.00 73.23 H new ATOM 0 HD21 ASN A 28 12.558 -0.232 11.136 1.00 34.32 H new ATOM 0 HD22 ASN A 28 12.643 -1.410 12.450 1.00 34.32 H new ATOM 441 N ASP A 29 10.771 -3.901 9.452 1.00 32.20 N ATOM 442 CA ASP A 29 10.388 -5.341 9.498 1.00 44.53 C ATOM 443 C ASP A 29 8.965 -5.591 10.125 1.00 24.11 C ATOM 444 O ASP A 29 8.699 -6.678 10.643 1.00 44.43 O ATOM 445 CB ASP A 29 11.483 -6.137 10.259 1.00 52.11 C ATOM 446 CG ASP A 29 12.890 -5.904 9.684 1.00 23.32 C ATOM 447 OD1 ASP A 29 13.301 -6.649 8.764 1.00 62.44 O ATOM 448 OD2 ASP A 29 13.576 -4.954 10.133 1.00 50.52 O ATOM 0 H ASP A 29 11.490 -3.651 10.131 1.00 32.20 H new ATOM 0 HA ASP A 29 10.318 -5.695 8.469 1.00 44.53 H new ATOM 0 HB2 ASP A 29 11.472 -5.849 11.310 1.00 52.11 H new ATOM 0 HB3 ASP A 29 11.249 -7.201 10.217 1.00 52.11 H new ATOM 453 N TYR A 30 8.079 -4.560 10.056 1.00 41.24 N ATOM 454 CA TYR A 30 6.587 -4.645 10.184 1.00 63.21 C ATOM 455 C TYR A 30 6.027 -5.253 11.510 1.00 35.35 C ATOM 456 O TYR A 30 6.767 -5.549 12.451 1.00 52.32 O ATOM 457 CB TYR A 30 5.949 -5.320 8.919 1.00 52.22 C ATOM 458 CG TYR A 30 6.167 -6.849 8.753 1.00 21.13 C ATOM 459 CD1 TYR A 30 5.354 -7.768 9.416 1.00 53.31 C ATOM 460 CD2 TYR A 30 7.166 -7.363 7.918 1.00 72.54 C ATOM 461 CE1 TYR A 30 5.532 -9.120 9.261 1.00 1.52 C ATOM 462 CE2 TYR A 30 7.343 -8.724 7.765 1.00 33.22 C ATOM 463 CZ TYR A 30 6.519 -9.595 8.442 1.00 10.41 C ATOM 464 OH TYR A 30 6.686 -10.956 8.302 1.00 44.31 O ATOM 0 H TYR A 30 8.394 -3.602 9.903 1.00 41.24 H new ATOM 0 HA TYR A 30 6.273 -3.603 10.242 1.00 63.21 H new ATOM 0 HB2 TYR A 30 4.876 -5.130 8.938 1.00 52.22 H new ATOM 0 HB3 TYR A 30 6.345 -4.823 8.033 1.00 52.22 H new ATOM 0 HD1 TYR A 30 4.569 -7.409 10.064 1.00 53.31 H new ATOM 0 HD2 TYR A 30 7.811 -6.682 7.383 1.00 72.54 H new ATOM 0 HE1 TYR A 30 4.891 -9.811 9.788 1.00 1.52 H new ATOM 0 HE2 TYR A 30 8.122 -9.102 7.119 1.00 33.22 H new ATOM 0 HH TYR A 30 5.954 -11.424 8.755 1.00 44.31 H new ATOM 474 N VAL A 31 4.673 -5.363 11.564 1.00 32.22 N ATOM 475 CA VAL A 31 3.922 -5.979 12.693 1.00 31.54 C ATOM 476 C VAL A 31 3.165 -7.263 12.224 1.00 13.32 C ATOM 477 O VAL A 31 2.470 -7.245 11.198 1.00 30.12 O ATOM 478 CB VAL A 31 2.873 -4.968 13.307 1.00 14.43 C ATOM 479 CG1 VAL A 31 2.129 -5.588 14.522 1.00 34.25 C ATOM 480 CG2 VAL A 31 3.545 -3.620 13.686 1.00 53.14 C ATOM 0 H VAL A 31 4.066 -5.024 10.818 1.00 32.22 H new ATOM 0 HA VAL A 31 4.655 -6.242 13.456 1.00 31.54 H new ATOM 0 HB VAL A 31 2.128 -4.762 12.538 1.00 14.43 H new ATOM 0 HG11 VAL A 31 1.416 -4.866 14.919 1.00 34.25 H new ATOM 0 HG12 VAL A 31 1.598 -6.485 14.204 1.00 34.25 H new ATOM 0 HG13 VAL A 31 2.851 -5.849 15.296 1.00 34.25 H new ATOM 0 HG21 VAL A 31 2.798 -2.946 14.105 1.00 53.14 H new ATOM 0 HG22 VAL A 31 4.328 -3.798 14.423 1.00 53.14 H new ATOM 0 HG23 VAL A 31 3.982 -3.168 12.795 1.00 53.14 H new ATOM 490 N MET A 32 3.308 -8.357 12.990 1.00 62.43 N ATOM 491 CA MET A 32 2.631 -9.659 12.742 1.00 2.34 C ATOM 492 C MET A 32 2.287 -10.326 14.108 1.00 32.44 C ATOM 493 O MET A 32 2.692 -9.809 15.160 1.00 23.31 O ATOM 494 CB MET A 32 3.551 -10.556 11.837 1.00 54.21 C ATOM 495 CG MET A 32 3.011 -11.954 11.463 1.00 11.24 C ATOM 496 SD MET A 32 3.862 -12.701 10.045 1.00 21.21 S ATOM 497 CE MET A 32 3.097 -11.852 8.654 1.00 74.43 C ATOM 0 H MET A 32 3.906 -8.371 13.816 1.00 62.43 H new ATOM 0 HA MET A 32 1.692 -9.517 12.207 1.00 2.34 H new ATOM 0 HB2 MET A 32 3.754 -10.012 10.914 1.00 54.21 H new ATOM 0 HB3 MET A 32 4.506 -10.686 12.347 1.00 54.21 H new ATOM 0 HG2 MET A 32 3.108 -12.615 12.324 1.00 11.24 H new ATOM 0 HG3 MET A 32 1.947 -11.876 11.239 1.00 11.24 H new ATOM 0 HE1 MET A 32 2.719 -12.586 7.943 1.00 74.43 H new ATOM 0 HE2 MET A 32 2.272 -11.236 9.013 1.00 74.43 H new ATOM 0 HE3 MET A 32 3.836 -11.218 8.163 1.00 74.43 H new ATOM 507 N SER A 33 1.497 -11.438 14.076 1.00 43.25 N ATOM 508 CA SER A 33 1.087 -12.245 15.269 1.00 71.32 C ATOM 509 C SER A 33 -0.065 -11.565 16.045 1.00 43.34 C ATOM 510 O SER A 33 -1.195 -12.074 16.077 1.00 3.31 O ATOM 511 CB SER A 33 2.276 -12.565 16.230 1.00 12.31 C ATOM 512 OG SER A 33 3.321 -13.253 15.560 1.00 53.34 O ATOM 0 H SER A 33 1.119 -11.807 13.204 1.00 43.25 H new ATOM 0 HA SER A 33 0.730 -13.197 14.875 1.00 71.32 H new ATOM 0 HB2 SER A 33 2.663 -11.637 16.652 1.00 12.31 H new ATOM 0 HB3 SER A 33 1.918 -13.169 17.063 1.00 12.31 H new ATOM 0 HG SER A 33 4.049 -13.436 16.190 1.00 53.34 H new ATOM 518 N THR A 34 0.243 -10.403 16.653 1.00 21.52 N ATOM 519 CA THR A 34 -0.727 -9.574 17.417 1.00 25.33 C ATOM 520 C THR A 34 -1.831 -8.960 16.493 1.00 63.34 C ATOM 521 O THR A 34 -1.670 -7.870 15.931 1.00 65.50 O ATOM 522 CB THR A 34 0.024 -8.459 18.245 1.00 33.31 C ATOM 523 OG1 THR A 34 -0.909 -7.512 18.792 1.00 30.34 O ATOM 524 CG2 THR A 34 1.107 -7.717 17.418 1.00 1.42 C ATOM 0 H THR A 34 1.181 -10.004 16.631 1.00 21.52 H new ATOM 0 HA THR A 34 -1.240 -10.230 18.120 1.00 25.33 H new ATOM 0 HB THR A 34 0.536 -8.976 19.057 1.00 33.31 H new ATOM 0 HG1 THR A 34 -0.423 -6.831 19.302 1.00 30.34 H new ATOM 0 HG21 THR A 34 1.588 -6.963 18.041 1.00 1.42 H new ATOM 0 HG22 THR A 34 1.854 -8.432 17.072 1.00 1.42 H new ATOM 0 HG23 THR A 34 0.641 -7.234 16.559 1.00 1.42 H new ATOM 532 N GLU A 35 -2.925 -9.743 16.322 1.00 64.51 N ATOM 533 CA GLU A 35 -4.111 -9.415 15.484 1.00 73.52 C ATOM 534 C GLU A 35 -3.774 -9.281 13.968 1.00 12.53 C ATOM 535 O GLU A 35 -4.105 -10.188 13.191 1.00 60.43 O ATOM 536 CB GLU A 35 -4.880 -8.160 16.014 1.00 35.13 C ATOM 537 CG GLU A 35 -6.107 -7.758 15.157 1.00 74.13 C ATOM 538 CD GLU A 35 -6.953 -6.621 15.764 1.00 72.14 C ATOM 539 OE1 GLU A 35 -6.657 -5.435 15.506 1.00 24.33 O ATOM 540 OE2 GLU A 35 -7.926 -6.908 16.489 1.00 21.21 O ATOM 0 H GLU A 35 -3.011 -10.651 16.778 1.00 64.51 H new ATOM 0 HA GLU A 35 -4.779 -10.271 15.575 1.00 73.52 H new ATOM 0 HB2 GLU A 35 -5.211 -8.355 17.034 1.00 35.13 H new ATOM 0 HB3 GLU A 35 -4.190 -7.317 16.059 1.00 35.13 H new ATOM 0 HG2 GLU A 35 -5.762 -7.452 14.169 1.00 74.13 H new ATOM 0 HG3 GLU A 35 -6.741 -8.633 15.017 1.00 74.13 H new ATOM 547 N ARG A 36 -3.119 -8.139 13.578 1.00 41.41 N ATOM 548 CA ARG A 36 -2.787 -7.752 12.164 1.00 35.33 C ATOM 549 C ARG A 36 -4.033 -7.835 11.219 1.00 44.12 C ATOM 550 O ARG A 36 -5.179 -7.812 11.692 1.00 63.43 O ATOM 551 CB ARG A 36 -1.543 -8.551 11.617 1.00 44.10 C ATOM 552 CG ARG A 36 -1.805 -10.012 11.173 1.00 14.45 C ATOM 553 CD ARG A 36 -0.519 -10.800 10.875 1.00 72.50 C ATOM 554 NE ARG A 36 -0.806 -12.193 10.497 1.00 33.54 N ATOM 555 CZ ARG A 36 -1.224 -13.154 11.301 1.00 33.32 C ATOM 556 NH1 ARG A 36 -1.410 -12.951 12.574 1.00 42.33 N ATOM 557 NH2 ARG A 36 -1.474 -14.318 10.803 1.00 73.33 N ATOM 0 H ARG A 36 -2.800 -7.446 14.255 1.00 41.41 H new ATOM 0 HA ARG A 36 -2.495 -6.702 12.176 1.00 35.33 H new ATOM 0 HB2 ARG A 36 -1.132 -8.004 10.768 1.00 44.10 H new ATOM 0 HB3 ARG A 36 -0.776 -8.561 12.391 1.00 44.10 H new ATOM 0 HG2 ARG A 36 -2.365 -10.526 11.954 1.00 14.45 H new ATOM 0 HG3 ARG A 36 -2.433 -10.006 10.282 1.00 14.45 H new ATOM 0 HD2 ARG A 36 0.029 -10.310 10.070 1.00 72.50 H new ATOM 0 HD3 ARG A 36 0.127 -10.787 11.753 1.00 72.50 H new ATOM 0 HE ARG A 36 -0.669 -12.441 9.517 1.00 33.54 H new ATOM 0 HH11 ARG A 36 -1.232 -12.030 12.975 1.00 42.33 H new ATOM 0 HH12 ARG A 36 -1.734 -13.713 13.170 1.00 42.33 H new ATOM 0 HH21 ARG A 36 -1.348 -14.483 9.804 1.00 73.33 H new ATOM 0 HH22 ARG A 36 -1.798 -15.073 11.408 1.00 73.33 H new ATOM 571 N LEU A 37 -3.818 -7.876 9.890 1.00 44.40 N ATOM 572 CA LEU A 37 -4.915 -8.052 8.906 1.00 42.01 C ATOM 573 C LEU A 37 -5.353 -9.531 8.801 1.00 73.54 C ATOM 574 O LEU A 37 -5.226 -10.134 7.747 1.00 22.50 O ATOM 575 CB LEU A 37 -4.460 -7.539 7.523 1.00 54.43 C ATOM 576 CG LEU A 37 -4.087 -6.039 7.441 1.00 14.45 C ATOM 577 CD1 LEU A 37 -3.395 -5.740 6.115 1.00 31.13 C ATOM 578 CD2 LEU A 37 -5.325 -5.133 7.637 1.00 20.41 C ATOM 0 H LEU A 37 -2.894 -7.790 9.468 1.00 44.40 H new ATOM 0 HA LEU A 37 -5.773 -7.474 9.250 1.00 42.01 H new ATOM 0 HB2 LEU A 37 -3.597 -8.125 7.207 1.00 54.43 H new ATOM 0 HB3 LEU A 37 -5.257 -7.734 6.806 1.00 54.43 H new ATOM 0 HG LEU A 37 -3.395 -5.818 8.253 1.00 14.45 H new ATOM 0 HD11 LEU A 37 -3.138 -4.682 6.069 1.00 31.13 H new ATOM 0 HD12 LEU A 37 -2.487 -6.338 6.035 1.00 31.13 H new ATOM 0 HD13 LEU A 37 -4.065 -5.986 5.291 1.00 31.13 H new ATOM 0 HD21 LEU A 37 -5.024 -4.087 7.573 1.00 20.41 H new ATOM 0 HD22 LEU A 37 -6.059 -5.348 6.861 1.00 20.41 H new ATOM 0 HD23 LEU A 37 -5.765 -5.325 8.616 1.00 20.41 H new ATOM 590 N THR A 38 -5.891 -10.103 9.891 1.00 62.45 N ATOM 591 CA THR A 38 -6.312 -11.528 9.922 1.00 34.32 C ATOM 592 C THR A 38 -7.365 -11.866 8.821 1.00 73.14 C ATOM 593 O THR A 38 -7.301 -12.928 8.194 1.00 55.21 O ATOM 594 CB THR A 38 -6.850 -11.943 11.335 1.00 32.20 C ATOM 595 OG1 THR A 38 -7.204 -13.336 11.336 1.00 60.02 O ATOM 596 CG2 THR A 38 -8.065 -11.103 11.780 1.00 73.23 C ATOM 0 H THR A 38 -6.048 -9.606 10.768 1.00 62.45 H new ATOM 0 HA THR A 38 -5.416 -12.111 9.709 1.00 34.32 H new ATOM 0 HB THR A 38 -6.046 -11.757 12.047 1.00 32.20 H new ATOM 0 HG1 THR A 38 -7.538 -13.588 12.222 1.00 60.02 H new ATOM 0 HG21 THR A 38 -8.395 -11.434 12.765 1.00 73.23 H new ATOM 0 HG22 THR A 38 -7.783 -10.051 11.826 1.00 73.23 H new ATOM 0 HG23 THR A 38 -8.877 -11.230 11.064 1.00 73.23 H new ATOM 604 N SER A 39 -8.295 -10.924 8.561 1.00 54.43 N ATOM 605 CA SER A 39 -9.352 -11.077 7.530 1.00 23.51 C ATOM 606 C SER A 39 -8.781 -10.932 6.093 1.00 42.15 C ATOM 607 O SER A 39 -8.992 -11.807 5.248 1.00 40.23 O ATOM 608 CB SER A 39 -10.476 -10.035 7.757 1.00 24.03 C ATOM 609 OG SER A 39 -11.027 -10.145 9.062 1.00 74.54 O ATOM 0 H SER A 39 -8.338 -10.034 9.058 1.00 54.43 H new ATOM 0 HA SER A 39 -9.762 -12.082 7.627 1.00 23.51 H new ATOM 0 HB2 SER A 39 -10.078 -9.031 7.611 1.00 24.03 H new ATOM 0 HB3 SER A 39 -11.262 -10.177 7.015 1.00 24.03 H new ATOM 0 HG SER A 39 -11.732 -9.474 9.177 1.00 74.54 H new ATOM 615 N ALA A 40 -8.036 -9.831 5.840 1.00 33.20 N ATOM 616 CA ALA A 40 -7.505 -9.487 4.487 1.00 43.51 C ATOM 617 C ALA A 40 -6.414 -10.479 4.006 1.00 54.21 C ATOM 618 O ALA A 40 -6.368 -10.860 2.830 1.00 75.13 O ATOM 619 CB ALA A 40 -6.961 -8.046 4.487 1.00 13.55 C ATOM 0 H ALA A 40 -7.783 -9.154 6.560 1.00 33.20 H new ATOM 0 HA ALA A 40 -8.334 -9.565 3.783 1.00 43.51 H new ATOM 0 HB1 ALA A 40 -6.576 -7.803 3.497 1.00 13.55 H new ATOM 0 HB2 ALA A 40 -7.763 -7.354 4.744 1.00 13.55 H new ATOM 0 HB3 ALA A 40 -6.159 -7.960 5.220 1.00 13.55 H new ATOM 625 N GLU A 41 -5.539 -10.869 4.936 1.00 21.20 N ATOM 626 CA GLU A 41 -4.470 -11.873 4.714 1.00 11.02 C ATOM 627 C GLU A 41 -5.058 -13.270 4.395 1.00 11.21 C ATOM 628 O GLU A 41 -4.508 -14.017 3.572 1.00 12.14 O ATOM 629 CB GLU A 41 -3.578 -11.934 5.978 1.00 43.23 C ATOM 630 CG GLU A 41 -2.311 -12.788 5.872 1.00 10.24 C ATOM 631 CD GLU A 41 -1.502 -12.817 7.181 1.00 22.55 C ATOM 632 OE1 GLU A 41 -0.865 -11.794 7.518 1.00 74.13 O ATOM 633 OE2 GLU A 41 -1.542 -13.843 7.893 1.00 62.35 O ATOM 0 H GLU A 41 -5.545 -10.495 5.885 1.00 21.20 H new ATOM 0 HA GLU A 41 -3.875 -11.573 3.851 1.00 11.02 H new ATOM 0 HB2 GLU A 41 -3.285 -10.917 6.240 1.00 43.23 H new ATOM 0 HB3 GLU A 41 -4.179 -12.315 6.804 1.00 43.23 H new ATOM 0 HG2 GLU A 41 -2.586 -13.806 5.597 1.00 10.24 H new ATOM 0 HG3 GLU A 41 -1.683 -12.400 5.070 1.00 10.24 H new ATOM 640 N SER A 42 -6.186 -13.601 5.054 1.00 65.32 N ATOM 641 CA SER A 42 -6.945 -14.848 4.788 1.00 35.24 C ATOM 642 C SER A 42 -7.625 -14.818 3.397 1.00 33.54 C ATOM 643 O SER A 42 -7.828 -15.864 2.783 1.00 11.32 O ATOM 644 CB SER A 42 -8.012 -15.092 5.881 1.00 3.11 C ATOM 645 OG SER A 42 -8.705 -16.317 5.670 1.00 74.14 O ATOM 0 H SER A 42 -6.598 -13.018 5.782 1.00 65.32 H new ATOM 0 HA SER A 42 -6.225 -15.666 4.802 1.00 35.24 H new ATOM 0 HB2 SER A 42 -7.534 -15.107 6.860 1.00 3.11 H new ATOM 0 HB3 SER A 42 -8.724 -14.267 5.887 1.00 3.11 H new ATOM 0 HG SER A 42 -9.371 -16.442 6.378 1.00 74.14 H new ATOM 651 N LEU A 43 -7.992 -13.610 2.918 1.00 63.40 N ATOM 652 CA LEU A 43 -8.552 -13.418 1.553 1.00 70.34 C ATOM 653 C LEU A 43 -7.476 -13.653 0.456 1.00 34.12 C ATOM 654 O LEU A 43 -7.788 -14.187 -0.606 1.00 14.21 O ATOM 655 CB LEU A 43 -9.182 -12.003 1.401 1.00 4.31 C ATOM 656 CG LEU A 43 -10.441 -11.698 2.282 1.00 70.43 C ATOM 657 CD1 LEU A 43 -10.902 -10.228 2.115 1.00 70.42 C ATOM 658 CD2 LEU A 43 -11.593 -12.686 1.974 1.00 54.12 C ATOM 0 H LEU A 43 -7.912 -12.747 3.455 1.00 63.40 H new ATOM 0 HA LEU A 43 -9.337 -14.162 1.418 1.00 70.34 H new ATOM 0 HB2 LEU A 43 -8.416 -11.262 1.633 1.00 4.31 H new ATOM 0 HB3 LEU A 43 -9.456 -11.862 0.355 1.00 4.31 H new ATOM 0 HG LEU A 43 -10.156 -11.837 3.325 1.00 70.43 H new ATOM 0 HD11 LEU A 43 -11.777 -10.048 2.739 1.00 70.42 H new ATOM 0 HD12 LEU A 43 -10.097 -9.558 2.417 1.00 70.42 H new ATOM 0 HD13 LEU A 43 -11.156 -10.043 1.071 1.00 70.42 H new ATOM 0 HD21 LEU A 43 -12.453 -12.449 2.601 1.00 54.12 H new ATOM 0 HD22 LEU A 43 -11.875 -12.601 0.924 1.00 54.12 H new ATOM 0 HD23 LEU A 43 -11.264 -13.704 2.180 1.00 54.12 H new ATOM 670 N LEU A 44 -6.216 -13.239 0.709 1.00 43.51 N ATOM 671 CA LEU A 44 -5.096 -13.485 -0.243 1.00 44.20 C ATOM 672 C LEU A 44 -4.692 -14.988 -0.246 1.00 21.43 C ATOM 673 O LEU A 44 -4.510 -15.591 -1.309 1.00 75.15 O ATOM 674 CB LEU A 44 -3.871 -12.572 0.070 1.00 3.54 C ATOM 675 CG LEU A 44 -2.718 -12.588 -1.001 1.00 32.31 C ATOM 676 CD1 LEU A 44 -3.234 -12.166 -2.400 1.00 31.44 C ATOM 677 CD2 LEU A 44 -1.524 -11.707 -0.564 1.00 24.41 C ATOM 0 H LEU A 44 -5.944 -12.737 1.554 1.00 43.51 H new ATOM 0 HA LEU A 44 -5.446 -13.228 -1.243 1.00 44.20 H new ATOM 0 HB2 LEU A 44 -4.224 -11.547 0.182 1.00 3.54 H new ATOM 0 HB3 LEU A 44 -3.454 -12.872 1.031 1.00 3.54 H new ATOM 0 HG LEU A 44 -2.364 -13.616 -1.074 1.00 32.31 H new ATOM 0 HD11 LEU A 44 -2.410 -12.189 -3.114 1.00 31.44 H new ATOM 0 HD12 LEU A 44 -4.014 -12.856 -2.724 1.00 31.44 H new ATOM 0 HD13 LEU A 44 -3.641 -11.156 -2.348 1.00 31.44 H new ATOM 0 HD21 LEU A 44 -0.747 -11.742 -1.328 1.00 24.41 H new ATOM 0 HD22 LEU A 44 -1.859 -10.678 -0.435 1.00 24.41 H new ATOM 0 HD23 LEU A 44 -1.123 -12.079 0.379 1.00 24.41 H new ATOM 689 N ARG A 45 -4.582 -15.587 0.959 1.00 3.00 N ATOM 690 CA ARG A 45 -4.329 -17.048 1.129 1.00 34.44 C ATOM 691 C ARG A 45 -5.531 -17.924 0.678 1.00 31.53 C ATOM 692 O ARG A 45 -5.354 -19.104 0.371 1.00 42.15 O ATOM 693 CB ARG A 45 -3.945 -17.369 2.607 1.00 52.31 C ATOM 694 CG ARG A 45 -2.469 -17.081 2.960 1.00 51.24 C ATOM 695 CD ARG A 45 -2.111 -17.416 4.427 1.00 63.43 C ATOM 696 NE ARG A 45 -2.606 -16.406 5.389 1.00 51.34 N ATOM 697 CZ ARG A 45 -3.561 -16.582 6.276 1.00 61.20 C ATOM 698 NH1 ARG A 45 -4.305 -17.647 6.269 1.00 12.33 N ATOM 699 NH2 ARG A 45 -3.782 -15.672 7.155 1.00 72.21 N ATOM 0 H ARG A 45 -4.664 -15.082 1.841 1.00 3.00 H new ATOM 0 HA ARG A 45 -3.492 -17.300 0.477 1.00 34.44 H new ATOM 0 HB2 ARG A 45 -4.585 -16.787 3.270 1.00 52.31 H new ATOM 0 HB3 ARG A 45 -4.154 -18.420 2.804 1.00 52.31 H new ATOM 0 HG2 ARG A 45 -1.825 -17.658 2.296 1.00 51.24 H new ATOM 0 HG3 ARG A 45 -2.257 -16.028 2.774 1.00 51.24 H new ATOM 0 HD2 ARG A 45 -2.529 -18.389 4.684 1.00 63.43 H new ATOM 0 HD3 ARG A 45 -1.028 -17.499 4.521 1.00 63.43 H new ATOM 0 HE ARG A 45 -2.165 -15.487 5.361 1.00 51.34 H new ATOM 0 HH11 ARG A 45 -4.155 -18.370 5.565 1.00 12.33 H new ATOM 0 HH12 ARG A 45 -5.039 -17.761 6.968 1.00 12.33 H new ATOM 0 HH21 ARG A 45 -3.219 -14.821 7.161 1.00 72.21 H new ATOM 0 HH22 ARG A 45 -4.521 -15.800 7.847 1.00 72.21 H new ATOM 713 N GLY A 46 -6.742 -17.344 0.675 1.00 72.21 N ATOM 714 CA GLY A 46 -7.955 -18.037 0.197 1.00 40.20 C ATOM 715 C GLY A 46 -8.219 -17.866 -1.306 1.00 34.14 C ATOM 716 O GLY A 46 -9.101 -18.531 -1.859 1.00 54.24 O ATOM 0 H GLY A 46 -6.910 -16.392 1.000 1.00 72.21 H new ATOM 0 HA2 GLY A 46 -7.866 -19.100 0.422 1.00 40.20 H new ATOM 0 HA3 GLY A 46 -8.816 -17.665 0.752 1.00 40.20 H new ATOM 720 N GLY A 47 -7.443 -16.983 -1.964 1.00 61.44 N ATOM 721 CA GLY A 47 -7.602 -16.702 -3.403 1.00 21.53 C ATOM 722 C GLY A 47 -8.772 -15.774 -3.760 1.00 14.22 C ATOM 723 O GLY A 47 -9.160 -15.688 -4.927 1.00 41.22 O ATOM 0 H GLY A 47 -6.696 -16.450 -1.518 1.00 61.44 H new ATOM 0 HA2 GLY A 47 -6.679 -16.257 -3.775 1.00 21.53 H new ATOM 0 HA3 GLY A 47 -7.735 -17.647 -3.929 1.00 21.53 H new ATOM 727 N GLU A 48 -9.330 -15.074 -2.757 1.00 31.11 N ATOM 728 CA GLU A 48 -10.480 -14.159 -2.948 1.00 22.54 C ATOM 729 C GLU A 48 -10.060 -12.760 -3.480 1.00 52.32 C ATOM 730 O GLU A 48 -10.835 -12.119 -4.196 1.00 32.34 O ATOM 731 CB GLU A 48 -11.272 -14.007 -1.624 1.00 24.23 C ATOM 732 CG GLU A 48 -11.883 -15.318 -1.079 1.00 63.14 C ATOM 733 CD GLU A 48 -12.821 -16.025 -2.084 1.00 75.31 C ATOM 734 OE1 GLU A 48 -13.937 -15.512 -2.335 1.00 25.20 O ATOM 735 OE2 GLU A 48 -12.444 -17.085 -2.631 1.00 71.12 O ATOM 0 H GLU A 48 -9.001 -15.123 -1.793 1.00 31.11 H new ATOM 0 HA GLU A 48 -11.116 -14.611 -3.709 1.00 22.54 H new ATOM 0 HB2 GLU A 48 -10.609 -13.590 -0.866 1.00 24.23 H new ATOM 0 HB3 GLU A 48 -12.074 -13.285 -1.778 1.00 24.23 H new ATOM 0 HG2 GLU A 48 -11.077 -15.999 -0.805 1.00 63.14 H new ATOM 0 HG3 GLU A 48 -12.439 -15.099 -0.167 1.00 63.14 H new ATOM 742 N ILE A 49 -8.849 -12.279 -3.119 1.00 54.44 N ATOM 743 CA ILE A 49 -8.321 -10.957 -3.591 1.00 51.24 C ATOM 744 C ILE A 49 -6.939 -11.112 -4.273 1.00 73.23 C ATOM 745 O ILE A 49 -6.268 -12.142 -4.124 1.00 40.21 O ATOM 746 CB ILE A 49 -8.199 -9.892 -2.420 1.00 12.43 C ATOM 747 CG1 ILE A 49 -7.141 -10.334 -1.347 1.00 10.43 C ATOM 748 CG2 ILE A 49 -9.582 -9.610 -1.772 1.00 14.22 C ATOM 749 CD1 ILE A 49 -6.880 -9.317 -0.245 1.00 3.22 C ATOM 0 H ILE A 49 -8.210 -12.780 -2.502 1.00 54.44 H new ATOM 0 HA ILE A 49 -9.050 -10.590 -4.314 1.00 51.24 H new ATOM 0 HB ILE A 49 -7.844 -8.960 -2.859 1.00 12.43 H new ATOM 0 HG12 ILE A 49 -7.476 -11.265 -0.890 1.00 10.43 H new ATOM 0 HG13 ILE A 49 -6.200 -10.548 -1.853 1.00 10.43 H new ATOM 0 HG21 ILE A 49 -9.467 -8.877 -0.973 1.00 14.22 H new ATOM 0 HG22 ILE A 49 -10.265 -9.220 -2.527 1.00 14.22 H new ATOM 0 HG23 ILE A 49 -9.986 -10.535 -1.360 1.00 14.22 H new ATOM 0 HD11 ILE A 49 -6.136 -9.713 0.446 1.00 3.22 H new ATOM 0 HD12 ILE A 49 -6.510 -8.391 -0.685 1.00 3.22 H new ATOM 0 HD13 ILE A 49 -7.807 -9.118 0.294 1.00 3.22 H new ATOM 761 N SER A 50 -6.541 -10.080 -5.049 1.00 1.00 N ATOM 762 CA SER A 50 -5.184 -9.988 -5.648 1.00 52.42 C ATOM 763 C SER A 50 -4.185 -9.349 -4.657 1.00 3.14 C ATOM 764 O SER A 50 -4.577 -8.848 -3.591 1.00 51.54 O ATOM 765 CB SER A 50 -5.208 -9.176 -6.974 1.00 2.32 C ATOM 766 OG SER A 50 -5.424 -7.789 -6.750 1.00 52.24 O ATOM 0 H SER A 50 -7.144 -9.290 -5.279 1.00 1.00 H new ATOM 0 HA SER A 50 -4.856 -11.003 -5.871 1.00 52.42 H new ATOM 0 HB2 SER A 50 -4.264 -9.315 -7.500 1.00 2.32 H new ATOM 0 HB3 SER A 50 -5.994 -9.564 -7.622 1.00 2.32 H new ATOM 0 HG SER A 50 -6.320 -7.654 -6.376 1.00 52.24 H new ATOM 772 N VAL A 51 -2.891 -9.378 -5.026 1.00 63.11 N ATOM 773 CA VAL A 51 -1.804 -8.748 -4.235 1.00 31.24 C ATOM 774 C VAL A 51 -2.050 -7.234 -4.060 1.00 74.13 C ATOM 775 O VAL A 51 -1.948 -6.726 -2.962 1.00 62.21 O ATOM 776 CB VAL A 51 -0.411 -8.985 -4.916 1.00 4.50 C ATOM 777 CG1 VAL A 51 0.744 -8.261 -4.165 1.00 53.43 C ATOM 778 CG2 VAL A 51 -0.120 -10.500 -5.046 1.00 5.41 C ATOM 0 H VAL A 51 -2.565 -9.836 -5.877 1.00 63.11 H new ATOM 0 HA VAL A 51 -1.800 -9.215 -3.250 1.00 31.24 H new ATOM 0 HB VAL A 51 -0.461 -8.551 -5.914 1.00 4.50 H new ATOM 0 HG11 VAL A 51 1.688 -8.455 -4.675 1.00 53.43 H new ATOM 0 HG12 VAL A 51 0.553 -7.188 -4.152 1.00 53.43 H new ATOM 0 HG13 VAL A 51 0.801 -8.632 -3.142 1.00 53.43 H new ATOM 0 HG21 VAL A 51 0.851 -10.645 -5.521 1.00 5.41 H new ATOM 0 HG22 VAL A 51 -0.111 -10.955 -4.056 1.00 5.41 H new ATOM 0 HG23 VAL A 51 -0.894 -10.968 -5.653 1.00 5.41 H new ATOM 788 N ARG A 52 -2.409 -6.560 -5.167 1.00 3.30 N ATOM 789 CA ARG A 52 -2.740 -5.110 -5.214 1.00 75.10 C ATOM 790 C ARG A 52 -3.783 -4.702 -4.141 1.00 3.31 C ATOM 791 O ARG A 52 -3.583 -3.742 -3.387 1.00 55.43 O ATOM 792 CB ARG A 52 -3.296 -4.803 -6.625 1.00 35.32 C ATOM 793 CG ARG A 52 -3.859 -3.380 -6.848 1.00 31.40 C ATOM 794 CD ARG A 52 -4.646 -3.274 -8.160 1.00 73.04 C ATOM 795 NE ARG A 52 -5.757 -4.245 -8.174 1.00 13.11 N ATOM 796 CZ ARG A 52 -6.812 -4.192 -8.953 1.00 42.14 C ATOM 797 NH1 ARG A 52 -6.929 -3.283 -9.868 1.00 0.30 N ATOM 798 NH2 ARG A 52 -7.754 -5.056 -8.809 1.00 44.14 N ATOM 0 H ARG A 52 -2.481 -7.012 -6.079 1.00 3.30 H new ATOM 0 HA ARG A 52 -1.837 -4.537 -5.004 1.00 75.10 H new ATOM 0 HB2 ARG A 52 -2.500 -4.973 -7.350 1.00 35.32 H new ATOM 0 HB3 ARG A 52 -4.086 -5.521 -6.845 1.00 35.32 H new ATOM 0 HG2 ARG A 52 -4.507 -3.111 -6.014 1.00 31.40 H new ATOM 0 HG3 ARG A 52 -3.038 -2.663 -6.858 1.00 31.40 H new ATOM 0 HD2 ARG A 52 -5.037 -2.263 -8.276 1.00 73.04 H new ATOM 0 HD3 ARG A 52 -3.983 -3.459 -9.005 1.00 73.04 H new ATOM 0 HE ARG A 52 -5.700 -5.026 -7.521 1.00 13.11 H new ATOM 0 HH11 ARG A 52 -6.192 -2.589 -9.995 1.00 0.30 H new ATOM 0 HH12 ARG A 52 -7.758 -3.261 -10.462 1.00 0.30 H new ATOM 0 HH21 ARG A 52 -7.679 -5.778 -8.092 1.00 44.14 H new ATOM 0 HH22 ARG A 52 -8.576 -5.019 -9.412 1.00 44.14 H new ATOM 812 N ASP A 53 -4.886 -5.464 -4.090 1.00 72.12 N ATOM 813 CA ASP A 53 -5.990 -5.249 -3.131 1.00 12.04 C ATOM 814 C ASP A 53 -5.544 -5.512 -1.669 1.00 13.41 C ATOM 815 O ASP A 53 -6.079 -4.900 -0.731 1.00 24.43 O ATOM 816 CB ASP A 53 -7.194 -6.143 -3.527 1.00 13.42 C ATOM 817 CG ASP A 53 -7.833 -5.729 -4.870 1.00 61.33 C ATOM 818 OD1 ASP A 53 -7.144 -5.764 -5.910 1.00 24.14 O ATOM 819 OD2 ASP A 53 -9.023 -5.354 -4.893 1.00 12.15 O ATOM 0 H ASP A 53 -5.042 -6.254 -4.716 1.00 72.12 H new ATOM 0 HA ASP A 53 -6.293 -4.203 -3.176 1.00 12.04 H new ATOM 0 HB2 ASP A 53 -6.864 -7.180 -3.591 1.00 13.42 H new ATOM 0 HB3 ASP A 53 -7.948 -6.097 -2.742 1.00 13.42 H new ATOM 824 N PHE A 54 -4.558 -6.415 -1.484 1.00 2.24 N ATOM 825 CA PHE A 54 -3.947 -6.668 -0.160 1.00 55.23 C ATOM 826 C PHE A 54 -2.995 -5.510 0.258 1.00 74.14 C ATOM 827 O PHE A 54 -3.030 -5.081 1.406 1.00 3.22 O ATOM 828 CB PHE A 54 -3.206 -8.034 -0.138 1.00 74.11 C ATOM 829 CG PHE A 54 -2.591 -8.387 1.226 1.00 71.34 C ATOM 830 CD1 PHE A 54 -3.402 -8.540 2.353 1.00 54.33 C ATOM 831 CD2 PHE A 54 -1.212 -8.552 1.381 1.00 13.04 C ATOM 832 CE1 PHE A 54 -2.855 -8.841 3.585 1.00 24.00 C ATOM 833 CE2 PHE A 54 -0.669 -8.858 2.616 1.00 73.00 C ATOM 834 CZ PHE A 54 -1.492 -9.003 3.718 1.00 73.11 C ATOM 0 H PHE A 54 -4.167 -6.982 -2.236 1.00 2.24 H new ATOM 0 HA PHE A 54 -4.754 -6.711 0.571 1.00 55.23 H new ATOM 0 HB2 PHE A 54 -3.905 -8.820 -0.425 1.00 74.11 H new ATOM 0 HB3 PHE A 54 -2.416 -8.020 -0.889 1.00 74.11 H new ATOM 0 HD1 PHE A 54 -4.471 -8.421 2.260 1.00 54.33 H new ATOM 0 HD2 PHE A 54 -0.562 -8.439 0.526 1.00 13.04 H new ATOM 0 HE1 PHE A 54 -3.497 -8.950 4.447 1.00 24.00 H new ATOM 0 HE2 PHE A 54 0.399 -8.984 2.720 1.00 73.00 H new ATOM 0 HZ PHE A 54 -1.068 -9.243 4.682 1.00 73.11 H new ATOM 844 N VAL A 55 -2.176 -4.997 -0.691 1.00 63.12 N ATOM 845 CA VAL A 55 -1.239 -3.859 -0.450 1.00 74.35 C ATOM 846 C VAL A 55 -2.026 -2.593 -0.033 1.00 43.43 C ATOM 847 O VAL A 55 -1.600 -1.835 0.848 1.00 0.31 O ATOM 848 CB VAL A 55 -0.354 -3.543 -1.721 1.00 63.51 C ATOM 849 CG1 VAL A 55 0.639 -2.379 -1.462 1.00 24.41 C ATOM 850 CG2 VAL A 55 0.407 -4.800 -2.205 1.00 64.12 C ATOM 0 H VAL A 55 -2.142 -5.355 -1.645 1.00 63.12 H new ATOM 0 HA VAL A 55 -0.570 -4.156 0.358 1.00 74.35 H new ATOM 0 HB VAL A 55 -1.039 -3.229 -2.509 1.00 63.51 H new ATOM 0 HG11 VAL A 55 1.227 -2.195 -2.361 1.00 24.41 H new ATOM 0 HG12 VAL A 55 0.084 -1.478 -1.201 1.00 24.41 H new ATOM 0 HG13 VAL A 55 1.305 -2.645 -0.641 1.00 24.41 H new ATOM 0 HG21 VAL A 55 1.006 -4.548 -3.080 1.00 64.12 H new ATOM 0 HG22 VAL A 55 1.060 -5.159 -1.409 1.00 64.12 H new ATOM 0 HG23 VAL A 55 -0.308 -5.580 -2.467 1.00 64.12 H new ATOM 860 N ARG A 56 -3.196 -2.417 -0.677 1.00 25.13 N ATOM 861 CA ARG A 56 -4.178 -1.375 -0.326 1.00 74.40 C ATOM 862 C ARG A 56 -4.646 -1.533 1.142 1.00 12.40 C ATOM 863 O ARG A 56 -4.698 -0.562 1.882 1.00 10.50 O ATOM 864 CB ARG A 56 -5.400 -1.454 -1.282 1.00 12.32 C ATOM 865 CG ARG A 56 -6.427 -0.308 -1.123 1.00 62.54 C ATOM 866 CD ARG A 56 -7.725 -0.554 -1.920 1.00 14.10 C ATOM 867 NE ARG A 56 -7.498 -0.647 -3.382 1.00 13.01 N ATOM 868 CZ ARG A 56 -7.888 -1.638 -4.162 1.00 1.23 C ATOM 869 NH1 ARG A 56 -8.452 -2.699 -3.674 1.00 4.43 N ATOM 870 NH2 ARG A 56 -7.713 -1.556 -5.436 1.00 42.22 N ATOM 0 H ARG A 56 -3.488 -2.999 -1.462 1.00 25.13 H new ATOM 0 HA ARG A 56 -3.699 -0.402 -0.433 1.00 74.40 H new ATOM 0 HB2 ARG A 56 -5.039 -1.458 -2.310 1.00 12.32 H new ATOM 0 HB3 ARG A 56 -5.909 -2.404 -1.119 1.00 12.32 H new ATOM 0 HG2 ARG A 56 -6.671 -0.189 -0.067 1.00 62.54 H new ATOM 0 HG3 ARG A 56 -5.975 0.627 -1.453 1.00 62.54 H new ATOM 0 HD2 ARG A 56 -8.190 -1.476 -1.571 1.00 14.10 H new ATOM 0 HD3 ARG A 56 -8.428 0.254 -1.718 1.00 14.10 H new ATOM 0 HE ARG A 56 -6.996 0.123 -3.824 1.00 13.01 H new ATOM 0 HH11 ARG A 56 -8.602 -2.780 -2.668 1.00 4.43 H new ATOM 0 HH12 ARG A 56 -8.745 -3.452 -4.296 1.00 4.43 H new ATOM 0 HH21 ARG A 56 -7.275 -0.728 -5.838 1.00 42.22 H new ATOM 0 HH22 ARG A 56 -8.013 -2.320 -6.042 1.00 42.22 H new ATOM 884 N ALA A 57 -4.959 -2.780 1.539 1.00 32.43 N ATOM 885 CA ALA A 57 -5.433 -3.107 2.907 1.00 71.52 C ATOM 886 C ALA A 57 -4.341 -2.886 3.993 1.00 34.54 C ATOM 887 O ALA A 57 -4.658 -2.473 5.112 1.00 41.21 O ATOM 888 CB ALA A 57 -5.957 -4.550 2.951 1.00 4.53 C ATOM 0 H ALA A 57 -4.892 -3.592 0.925 1.00 32.43 H new ATOM 0 HA ALA A 57 -6.245 -2.418 3.140 1.00 71.52 H new ATOM 0 HB1 ALA A 57 -6.303 -4.781 3.959 1.00 4.53 H new ATOM 0 HB2 ALA A 57 -6.785 -4.658 2.250 1.00 4.53 H new ATOM 0 HB3 ALA A 57 -5.156 -5.236 2.676 1.00 4.53 H new ATOM 894 N VAL A 58 -3.055 -3.172 3.659 1.00 5.41 N ATOM 895 CA VAL A 58 -1.907 -2.934 4.588 1.00 0.23 C ATOM 896 C VAL A 58 -1.649 -1.418 4.737 1.00 65.45 C ATOM 897 O VAL A 58 -1.239 -0.934 5.792 1.00 71.42 O ATOM 898 CB VAL A 58 -0.584 -3.682 4.127 1.00 61.53 C ATOM 899 CG1 VAL A 58 0.516 -3.642 5.223 1.00 61.05 C ATOM 900 CG2 VAL A 58 -0.872 -5.146 3.723 1.00 23.01 C ATOM 0 H VAL A 58 -2.783 -3.566 2.758 1.00 5.41 H new ATOM 0 HA VAL A 58 -2.183 -3.351 5.556 1.00 0.23 H new ATOM 0 HB VAL A 58 -0.214 -3.146 3.253 1.00 61.53 H new ATOM 0 HG11 VAL A 58 1.404 -4.165 4.867 1.00 61.05 H new ATOM 0 HG12 VAL A 58 0.770 -2.606 5.446 1.00 61.05 H new ATOM 0 HG13 VAL A 58 0.147 -4.127 6.127 1.00 61.05 H new ATOM 0 HG21 VAL A 58 0.056 -5.627 3.413 1.00 23.01 H new ATOM 0 HG22 VAL A 58 -1.292 -5.682 4.574 1.00 23.01 H new ATOM 0 HG23 VAL A 58 -1.583 -5.162 2.897 1.00 23.01 H new ATOM 910 N ALA A 59 -1.923 -0.685 3.654 1.00 51.11 N ATOM 911 CA ALA A 59 -1.910 0.789 3.636 1.00 30.10 C ATOM 912 C ALA A 59 -3.102 1.402 4.427 1.00 73.53 C ATOM 913 O ALA A 59 -2.976 2.478 5.024 1.00 0.33 O ATOM 914 CB ALA A 59 -1.925 1.264 2.186 1.00 2.11 C ATOM 0 H ALA A 59 -2.163 -1.098 2.753 1.00 51.11 H new ATOM 0 HA ALA A 59 -1.002 1.130 4.133 1.00 30.10 H new ATOM 0 HB1 ALA A 59 -1.916 2.354 2.160 1.00 2.11 H new ATOM 0 HB2 ALA A 59 -1.045 0.881 1.669 1.00 2.11 H new ATOM 0 HB3 ALA A 59 -2.825 0.897 1.692 1.00 2.11 H new ATOM 920 N LEU A 60 -4.256 0.701 4.411 1.00 71.11 N ATOM 921 CA LEU A 60 -5.492 1.133 5.113 1.00 3.32 C ATOM 922 C LEU A 60 -5.503 0.683 6.591 1.00 61.30 C ATOM 923 O LEU A 60 -6.333 1.164 7.365 1.00 54.14 O ATOM 924 CB LEU A 60 -6.756 0.574 4.386 1.00 44.34 C ATOM 925 CG LEU A 60 -7.085 1.201 2.991 1.00 61.02 C ATOM 926 CD1 LEU A 60 -8.261 0.464 2.305 1.00 31.42 C ATOM 927 CD2 LEU A 60 -7.366 2.716 3.117 1.00 33.20 C ATOM 0 H LEU A 60 -4.361 -0.182 3.911 1.00 71.11 H new ATOM 0 HA LEU A 60 -5.510 2.223 5.091 1.00 3.32 H new ATOM 0 HB2 LEU A 60 -6.630 -0.501 4.257 1.00 44.34 H new ATOM 0 HB3 LEU A 60 -7.618 0.718 5.038 1.00 44.34 H new ATOM 0 HG LEU A 60 -6.208 1.077 2.355 1.00 61.02 H new ATOM 0 HD11 LEU A 60 -8.464 0.924 1.338 1.00 31.42 H new ATOM 0 HD12 LEU A 60 -7.999 -0.584 2.160 1.00 31.42 H new ATOM 0 HD13 LEU A 60 -9.149 0.532 2.933 1.00 31.42 H new ATOM 0 HD21 LEU A 60 -7.592 3.127 2.133 1.00 33.20 H new ATOM 0 HD22 LEU A 60 -8.216 2.874 3.780 1.00 33.20 H new ATOM 0 HD23 LEU A 60 -6.488 3.216 3.526 1.00 33.20 H new ATOM 939 N SER A 61 -4.589 -0.242 6.972 1.00 75.02 N ATOM 940 CA SER A 61 -4.504 -0.754 8.366 1.00 12.11 C ATOM 941 C SER A 61 -4.143 0.378 9.344 1.00 61.12 C ATOM 942 O SER A 61 -3.297 1.227 9.028 1.00 64.13 O ATOM 943 CB SER A 61 -3.460 -1.900 8.503 1.00 33.53 C ATOM 944 OG SER A 61 -2.121 -1.425 8.443 1.00 13.23 O ATOM 0 H SER A 61 -3.902 -0.649 6.338 1.00 75.02 H new ATOM 0 HA SER A 61 -5.488 -1.152 8.614 1.00 12.11 H new ATOM 0 HB2 SER A 61 -3.616 -2.419 9.449 1.00 33.53 H new ATOM 0 HB3 SER A 61 -3.619 -2.630 7.709 1.00 33.53 H new ATOM 0 HG SER A 61 -1.864 -1.289 7.507 1.00 13.23 H new ATOM 950 N GLU A 62 -4.770 0.373 10.534 1.00 41.12 N ATOM 951 CA GLU A 62 -4.484 1.370 11.582 1.00 34.10 C ATOM 952 C GLU A 62 -3.058 1.182 12.143 1.00 64.20 C ATOM 953 O GLU A 62 -2.444 2.140 12.569 1.00 50.23 O ATOM 954 CB GLU A 62 -5.541 1.302 12.719 1.00 3.33 C ATOM 955 CG GLU A 62 -6.949 1.785 12.296 1.00 44.44 C ATOM 956 CD GLU A 62 -7.977 1.773 13.441 1.00 55.54 C ATOM 957 OE1 GLU A 62 -7.948 2.693 14.288 1.00 51.31 O ATOM 958 OE2 GLU A 62 -8.810 0.837 13.509 1.00 13.10 O ATOM 0 H GLU A 62 -5.480 -0.312 10.794 1.00 41.12 H new ATOM 0 HA GLU A 62 -4.542 2.360 11.130 1.00 34.10 H new ATOM 0 HB2 GLU A 62 -5.612 0.274 13.075 1.00 3.33 H new ATOM 0 HB3 GLU A 62 -5.197 1.907 13.558 1.00 3.33 H new ATOM 0 HG2 GLU A 62 -6.872 2.797 11.899 1.00 44.44 H new ATOM 0 HG3 GLU A 62 -7.313 1.152 11.486 1.00 44.44 H new ATOM 965 N LEU A 63 -2.541 -0.062 12.083 1.00 74.43 N ATOM 966 CA LEU A 63 -1.189 -0.424 12.581 1.00 11.53 C ATOM 967 C LEU A 63 -0.084 0.322 11.786 1.00 64.24 C ATOM 968 O LEU A 63 0.881 0.837 12.372 1.00 75.54 O ATOM 969 CB LEU A 63 -0.960 -1.968 12.505 1.00 64.01 C ATOM 970 CG LEU A 63 -1.792 -2.869 13.492 1.00 33.22 C ATOM 971 CD1 LEU A 63 -3.313 -2.828 13.197 1.00 64.34 C ATOM 972 CD2 LEU A 63 -1.272 -4.327 13.485 1.00 65.14 C ATOM 0 H LEU A 63 -3.049 -0.852 11.686 1.00 74.43 H new ATOM 0 HA LEU A 63 -1.129 -0.117 13.625 1.00 11.53 H new ATOM 0 HB2 LEU A 63 -1.178 -2.292 11.487 1.00 64.01 H new ATOM 0 HB3 LEU A 63 0.098 -2.162 12.682 1.00 64.01 H new ATOM 0 HG LEU A 63 -1.650 -2.453 14.489 1.00 33.22 H new ATOM 0 HD11 LEU A 63 -3.839 -3.467 13.907 1.00 64.34 H new ATOM 0 HD12 LEU A 63 -3.675 -1.804 13.293 1.00 64.34 H new ATOM 0 HD13 LEU A 63 -3.497 -3.184 12.183 1.00 64.34 H new ATOM 0 HD21 LEU A 63 -1.864 -4.928 14.175 1.00 65.14 H new ATOM 0 HD22 LEU A 63 -1.358 -4.739 12.480 1.00 65.14 H new ATOM 0 HD23 LEU A 63 -0.227 -4.342 13.795 1.00 65.14 H new ATOM 984 N TYR A 64 -0.238 0.364 10.450 1.00 54.13 N ATOM 985 CA TYR A 64 0.638 1.160 9.562 1.00 74.11 C ATOM 986 C TYR A 64 0.382 2.673 9.738 1.00 71.25 C ATOM 987 O TYR A 64 1.327 3.455 9.955 1.00 12.44 O ATOM 988 CB TYR A 64 0.425 0.749 8.072 1.00 34.42 C ATOM 989 CG TYR A 64 1.064 1.704 7.035 1.00 0.22 C ATOM 990 CD1 TYR A 64 2.441 1.921 7.014 1.00 22.31 C ATOM 991 CD2 TYR A 64 0.291 2.408 6.101 1.00 11.20 C ATOM 992 CE1 TYR A 64 3.017 2.790 6.107 1.00 60.41 C ATOM 993 CE2 TYR A 64 0.872 3.277 5.188 1.00 73.30 C ATOM 994 CZ TYR A 64 2.240 3.460 5.200 1.00 73.55 C ATOM 995 OH TYR A 64 2.839 4.316 4.292 1.00 64.32 O ATOM 0 H TYR A 64 -0.968 -0.149 9.955 1.00 54.13 H new ATOM 0 HA TYR A 64 1.672 0.954 9.840 1.00 74.11 H new ATOM 0 HB2 TYR A 64 0.834 -0.251 7.924 1.00 34.42 H new ATOM 0 HB3 TYR A 64 -0.646 0.688 7.877 1.00 34.42 H new ATOM 0 HD1 TYR A 64 3.070 1.400 7.720 1.00 22.31 H new ATOM 0 HD2 TYR A 64 -0.780 2.271 6.092 1.00 11.20 H new ATOM 0 HE1 TYR A 64 4.086 2.942 6.113 1.00 60.41 H new ATOM 0 HE2 TYR A 64 0.258 3.806 4.474 1.00 73.30 H new ATOM 0 HH TYR A 64 3.798 4.119 4.240 1.00 64.32 H new ATOM 1005 N ARG A 65 -0.907 3.064 9.650 1.00 10.34 N ATOM 1006 CA ARG A 65 -1.318 4.480 9.594 1.00 15.13 C ATOM 1007 C ARG A 65 -0.846 5.265 10.840 1.00 54.14 C ATOM 1008 O ARG A 65 -0.130 6.239 10.697 1.00 14.13 O ATOM 1009 CB ARG A 65 -2.855 4.617 9.427 1.00 14.43 C ATOM 1010 CG ARG A 65 -3.339 6.083 9.244 1.00 60.14 C ATOM 1011 CD ARG A 65 -4.870 6.225 9.234 1.00 73.30 C ATOM 1012 NE ARG A 65 -5.279 7.642 9.117 1.00 15.13 N ATOM 1013 CZ ARG A 65 -6.409 8.155 9.554 1.00 64.44 C ATOM 1014 NH1 ARG A 65 -7.319 7.418 10.109 1.00 41.14 N ATOM 1015 NH2 ARG A 65 -6.633 9.418 9.400 1.00 31.51 N ATOM 0 H ARG A 65 -1.688 2.409 9.616 1.00 10.34 H new ATOM 0 HA ARG A 65 -0.834 4.913 8.718 1.00 15.13 H new ATOM 0 HB2 ARG A 65 -3.171 4.030 8.565 1.00 14.43 H new ATOM 0 HB3 ARG A 65 -3.345 4.189 10.301 1.00 14.43 H new ATOM 0 HG2 ARG A 65 -2.930 6.696 10.048 1.00 60.14 H new ATOM 0 HG3 ARG A 65 -2.939 6.476 8.309 1.00 60.14 H new ATOM 0 HD2 ARG A 65 -5.285 5.655 8.402 1.00 73.30 H new ATOM 0 HD3 ARG A 65 -5.283 5.800 10.149 1.00 73.30 H new ATOM 0 HE ARG A 65 -4.627 8.277 8.657 1.00 15.13 H new ATOM 0 HH11 ARG A 65 -7.168 6.415 10.216 1.00 41.14 H new ATOM 0 HH12 ARG A 65 -8.186 7.841 10.439 1.00 41.14 H new ATOM 0 HH21 ARG A 65 -5.937 10.007 8.943 1.00 31.51 H new ATOM 0 HH22 ARG A 65 -7.506 9.826 9.735 1.00 31.51 H new ATOM 1029 N GLU A 66 -1.199 4.788 12.051 1.00 43.13 N ATOM 1030 CA GLU A 66 -0.894 5.484 13.337 1.00 25.32 C ATOM 1031 C GLU A 66 0.629 5.655 13.583 1.00 22.55 C ATOM 1032 O GLU A 66 1.061 6.638 14.195 1.00 24.12 O ATOM 1033 CB GLU A 66 -1.542 4.722 14.534 1.00 54.54 C ATOM 1034 CG GLU A 66 -0.893 3.360 14.879 1.00 3.32 C ATOM 1035 CD GLU A 66 -1.638 2.594 15.987 1.00 25.34 C ATOM 1036 OE1 GLU A 66 -2.668 1.947 15.692 1.00 44.22 O ATOM 1037 OE2 GLU A 66 -1.201 2.642 17.160 1.00 75.51 O ATOM 0 H GLU A 66 -1.704 3.910 12.175 1.00 43.13 H new ATOM 0 HA GLU A 66 -1.322 6.483 13.260 1.00 25.32 H new ATOM 0 HB2 GLU A 66 -1.499 5.361 15.416 1.00 54.54 H new ATOM 0 HB3 GLU A 66 -2.596 4.558 14.311 1.00 54.54 H new ATOM 0 HG2 GLU A 66 -0.859 2.744 13.981 1.00 3.32 H new ATOM 0 HG3 GLU A 66 0.138 3.525 15.191 1.00 3.32 H new ATOM 1044 N LYS A 67 1.427 4.701 13.078 1.00 53.24 N ATOM 1045 CA LYS A 67 2.895 4.671 13.278 1.00 25.30 C ATOM 1046 C LYS A 67 3.600 5.836 12.530 1.00 11.54 C ATOM 1047 O LYS A 67 4.670 6.288 12.939 1.00 62.04 O ATOM 1048 CB LYS A 67 3.448 3.299 12.795 1.00 54.31 C ATOM 1049 CG LYS A 67 4.930 3.030 13.141 1.00 20.11 C ATOM 1050 CD LYS A 67 5.430 1.651 12.638 1.00 10.01 C ATOM 1051 CE LYS A 67 6.855 1.327 13.122 1.00 34.04 C ATOM 1052 NZ LYS A 67 6.924 1.196 14.605 1.00 21.32 N ATOM 0 H LYS A 67 1.077 3.924 12.517 1.00 53.24 H new ATOM 0 HA LYS A 67 3.103 4.799 14.340 1.00 25.30 H new ATOM 0 HB2 LYS A 67 2.840 2.506 13.231 1.00 54.31 H new ATOM 0 HB3 LYS A 67 3.327 3.236 11.714 1.00 54.31 H new ATOM 0 HG2 LYS A 67 5.547 3.815 12.705 1.00 20.11 H new ATOM 0 HG3 LYS A 67 5.061 3.085 14.222 1.00 20.11 H new ATOM 0 HD2 LYS A 67 4.748 0.874 12.982 1.00 10.01 H new ATOM 0 HD3 LYS A 67 5.408 1.636 11.548 1.00 10.01 H new ATOM 0 HE2 LYS A 67 7.193 0.399 12.660 1.00 34.04 H new ATOM 0 HE3 LYS A 67 7.536 2.113 12.795 1.00 34.04 H new ATOM 0 HZ1 LYS A 67 7.839 0.783 14.875 1.00 21.32 H new ATOM 0 HZ2 LYS A 67 6.826 2.135 15.041 1.00 21.32 H new ATOM 0 HZ3 LYS A 67 6.155 0.579 14.935 1.00 21.32 H new ATOM 1066 N PHE A 68 3.023 6.272 11.399 1.00 61.43 N ATOM 1067 CA PHE A 68 3.581 7.395 10.595 1.00 60.13 C ATOM 1068 C PHE A 68 2.667 8.655 10.545 1.00 54.31 C ATOM 1069 O PHE A 68 3.102 9.715 10.097 1.00 3.34 O ATOM 1070 CB PHE A 68 3.935 6.874 9.184 1.00 24.24 C ATOM 1071 CG PHE A 68 4.872 5.661 9.216 1.00 43.21 C ATOM 1072 CD1 PHE A 68 6.207 5.799 9.598 1.00 74.54 C ATOM 1073 CD2 PHE A 68 4.414 4.388 8.882 1.00 20.55 C ATOM 1074 CE1 PHE A 68 7.047 4.704 9.647 1.00 73.01 C ATOM 1075 CE2 PHE A 68 5.257 3.295 8.931 1.00 4.31 C ATOM 1076 CZ PHE A 68 6.574 3.454 9.308 1.00 52.02 C ATOM 0 H PHE A 68 2.169 5.870 11.012 1.00 61.43 H new ATOM 0 HA PHE A 68 4.485 7.743 11.095 1.00 60.13 H new ATOM 0 HB2 PHE A 68 3.018 6.605 8.660 1.00 24.24 H new ATOM 0 HB3 PHE A 68 4.405 7.675 8.613 1.00 24.24 H new ATOM 0 HD1 PHE A 68 6.588 6.775 9.859 1.00 74.54 H new ATOM 0 HD2 PHE A 68 3.386 4.254 8.581 1.00 20.55 H new ATOM 0 HE1 PHE A 68 8.076 4.827 9.951 1.00 73.01 H new ATOM 0 HE2 PHE A 68 4.884 2.315 8.674 1.00 4.31 H new ATOM 0 HZ PHE A 68 7.234 2.600 9.338 1.00 52.02 H new ATOM 1086 N PHE A 69 1.397 8.526 10.951 1.00 42.22 N ATOM 1087 CA PHE A 69 0.430 9.663 11.014 1.00 21.44 C ATOM 1088 C PHE A 69 0.427 10.337 12.417 1.00 72.53 C ATOM 1089 O PHE A 69 0.426 11.569 12.522 1.00 72.15 O ATOM 1090 CB PHE A 69 -0.994 9.180 10.609 1.00 53.44 C ATOM 1091 CG PHE A 69 -2.083 10.259 10.572 1.00 73.14 C ATOM 1092 CD1 PHE A 69 -1.887 11.456 9.876 1.00 25.50 C ATOM 1093 CD2 PHE A 69 -3.312 10.069 11.215 1.00 42.10 C ATOM 1094 CE1 PHE A 69 -2.878 12.424 9.837 1.00 12.33 C ATOM 1095 CE2 PHE A 69 -4.297 11.036 11.173 1.00 45.44 C ATOM 1096 CZ PHE A 69 -4.082 12.213 10.482 1.00 41.12 C ATOM 0 H PHE A 69 0.997 7.636 11.248 1.00 42.22 H new ATOM 0 HA PHE A 69 0.750 10.423 10.301 1.00 21.44 H new ATOM 0 HB2 PHE A 69 -0.933 8.719 9.623 1.00 53.44 H new ATOM 0 HB3 PHE A 69 -1.304 8.402 11.306 1.00 53.44 H new ATOM 0 HD1 PHE A 69 -0.952 11.628 9.363 1.00 25.50 H new ATOM 0 HD2 PHE A 69 -3.493 9.150 11.753 1.00 42.10 H new ATOM 0 HE1 PHE A 69 -2.709 13.346 9.301 1.00 12.33 H new ATOM 0 HE2 PHE A 69 -5.236 10.872 11.681 1.00 45.44 H new ATOM 0 HZ PHE A 69 -4.854 12.967 10.446 1.00 41.12 H new ATOM 1106 N HIS A 70 0.404 9.512 13.492 1.00 33.41 N ATOM 1107 CA HIS A 70 0.385 10.023 14.898 1.00 65.11 C ATOM 1108 C HIS A 70 1.823 10.268 15.420 1.00 72.13 C ATOM 1109 O HIS A 70 2.082 11.241 16.139 1.00 22.22 O ATOM 1110 CB HIS A 70 -0.314 9.004 15.856 1.00 51.14 C ATOM 1111 CG HIS A 70 -1.729 8.604 15.507 1.00 42.21 C ATOM 1112 ND1 HIS A 70 -2.458 7.714 16.267 1.00 53.22 N ATOM 1113 CD2 HIS A 70 -2.547 8.963 14.491 1.00 22.34 C ATOM 1114 CE1 HIS A 70 -3.653 7.551 15.737 1.00 13.41 C ATOM 1115 NE2 HIS A 70 -3.731 8.300 14.657 1.00 41.34 N ATOM 0 H HIS A 70 0.398 8.495 13.421 1.00 33.41 H new ATOM 0 HA HIS A 70 -0.170 10.961 14.887 1.00 65.11 H new ATOM 0 HB2 HIS A 70 0.295 8.101 15.895 1.00 51.14 H new ATOM 0 HB3 HIS A 70 -0.318 9.429 16.860 1.00 51.14 H new ATOM 0 HD2 HIS A 70 -2.308 9.650 13.693 1.00 22.34 H new ATOM 0 HE1 HIS A 70 -4.434 6.913 16.122 1.00 13.41 H new ATOM 0 HE2 HIS A 70 -4.543 8.374 14.044 1.00 41.34 H new ATOM 1124 N ASN A 71 2.744 9.370 15.035 1.00 45.24 N ATOM 1125 CA ASN A 71 4.139 9.345 15.551 1.00 54.43 C ATOM 1126 C ASN A 71 5.085 10.203 14.653 1.00 63.42 C ATOM 1127 O ASN A 71 6.121 10.692 15.112 1.00 62.51 O ATOM 1128 CB ASN A 71 4.611 7.858 15.621 1.00 61.43 C ATOM 1129 CG ASN A 71 5.748 7.526 16.612 1.00 43.11 C ATOM 1130 OD1 ASN A 71 5.851 6.392 17.070 1.00 20.33 O ATOM 1131 ND2 ASN A 71 6.594 8.470 16.974 1.00 15.33 N ATOM 0 H ASN A 71 2.550 8.635 14.355 1.00 45.24 H new ATOM 0 HA ASN A 71 4.173 9.784 16.548 1.00 54.43 H new ATOM 0 HB2 ASN A 71 3.749 7.241 15.876 1.00 61.43 H new ATOM 0 HB3 ASN A 71 4.933 7.558 14.624 1.00 61.43 H new ATOM 0 HD21 ASN A 71 7.339 8.260 17.638 1.00 15.33 H new ATOM 0 HD22 ASN A 71 6.503 9.411 16.590 1.00 15.33 H new ATOM 1138 N ASN A 72 4.702 10.389 13.374 1.00 11.15 N ATOM 1139 CA ASN A 72 5.499 11.150 12.374 1.00 61.22 C ATOM 1140 C ASN A 72 4.606 12.258 11.744 1.00 12.35 C ATOM 1141 O ASN A 72 3.375 12.146 11.751 1.00 70.10 O ATOM 1142 CB ASN A 72 6.055 10.158 11.300 1.00 11.51 C ATOM 1143 CG ASN A 72 7.240 10.678 10.471 1.00 62.13 C ATOM 1144 OD1 ASN A 72 7.411 11.869 10.252 1.00 25.22 O ATOM 1145 ND2 ASN A 72 8.068 9.770 9.985 1.00 63.40 N ATOM 0 H ASN A 72 3.830 10.017 12.998 1.00 11.15 H new ATOM 0 HA ASN A 72 6.350 11.640 12.847 1.00 61.22 H new ATOM 0 HB2 ASN A 72 6.360 9.240 11.802 1.00 11.51 H new ATOM 0 HB3 ASN A 72 5.245 9.895 10.619 1.00 11.51 H new ATOM 0 HD21 ASN A 72 8.865 10.058 9.417 1.00 63.40 H new ATOM 0 HD22 ASN A 72 7.910 8.781 10.178 1.00 63.40 H new ATOM 1152 N ALA A 73 5.238 13.331 11.227 1.00 54.53 N ATOM 1153 CA ALA A 73 4.532 14.494 10.620 1.00 32.24 C ATOM 1154 C ALA A 73 3.865 14.127 9.265 1.00 30.13 C ATOM 1155 O ALA A 73 4.460 13.410 8.462 1.00 24.22 O ATOM 1156 CB ALA A 73 5.513 15.666 10.444 1.00 30.25 C ATOM 0 H ALA A 73 6.254 13.422 11.215 1.00 54.53 H new ATOM 0 HA ALA A 73 3.733 14.793 11.298 1.00 32.24 H new ATOM 0 HB1 ALA A 73 4.991 16.514 10.000 1.00 30.25 H new ATOM 0 HB2 ALA A 73 5.913 15.955 11.416 1.00 30.25 H new ATOM 0 HB3 ALA A 73 6.331 15.361 9.791 1.00 30.25 H new ATOM 1162 N HIS A 74 2.627 14.643 9.028 1.00 33.00 N ATOM 1163 CA HIS A 74 1.787 14.288 7.841 1.00 34.55 C ATOM 1164 C HIS A 74 2.497 14.555 6.477 1.00 62.01 C ATOM 1165 O HIS A 74 2.303 13.800 5.523 1.00 4.23 O ATOM 1166 CB HIS A 74 0.428 15.038 7.904 1.00 24.22 C ATOM 1167 CG HIS A 74 -0.551 14.672 6.799 1.00 30.10 C ATOM 1168 ND1 HIS A 74 -1.046 13.456 6.439 1.00 31.31 N flip ATOM 1169 CD2 HIS A 74 -1.105 15.624 5.982 1.00 14.11 C flip ATOM 1170 CE1 HIS A 74 -1.910 13.668 5.398 1.00 55.34 C flip ATOM 1171 NE2 HIS A 74 -1.912 14.982 5.161 1.00 42.34 N flip ATOM 0 H HIS A 74 2.181 15.316 9.651 1.00 33.00 H new ATOM 0 HA HIS A 74 1.616 13.213 7.890 1.00 34.55 H new ATOM 0 HB2 HIS A 74 -0.040 14.834 8.867 1.00 24.22 H new ATOM 0 HB3 HIS A 74 0.618 16.111 7.862 1.00 24.22 H new ATOM 0 HD1 HIS A 74 -0.817 12.558 6.864 1.00 31.31 H new ATOM 0 HD2 HIS A 74 -0.918 16.687 6.006 1.00 14.11 H new ATOM 0 HE1 HIS A 74 -2.480 12.917 4.871 1.00 55.34 H new ATOM 1179 N ASN A 75 3.306 15.625 6.403 1.00 51.32 N ATOM 1180 CA ASN A 75 4.150 15.929 5.212 1.00 22.41 C ATOM 1181 C ASN A 75 5.104 14.744 4.866 1.00 21.22 C ATOM 1182 O ASN A 75 5.161 14.290 3.715 1.00 72.34 O ATOM 1183 CB ASN A 75 4.952 17.227 5.470 1.00 10.42 C ATOM 1184 CG ASN A 75 5.902 17.619 4.334 1.00 32.25 C ATOM 1185 OD1 ASN A 75 5.400 18.337 3.347 1.00 3.24 O flip ATOM 1186 ND2 ASN A 75 7.079 17.280 4.346 1.00 33.13 N flip ATOM 0 H ASN A 75 3.401 16.306 7.157 1.00 51.32 H new ATOM 0 HA ASN A 75 3.497 16.073 4.351 1.00 22.41 H new ATOM 0 HB2 ASN A 75 4.252 18.045 5.640 1.00 10.42 H new ATOM 0 HB3 ASN A 75 5.530 17.107 6.386 1.00 10.42 H new ATOM 0 HD21 ASN A 75 7.442 16.725 5.121 1.00 33.13 H new ATOM 0 HD22 ASN A 75 7.696 17.553 3.581 1.00 33.13 H new ATOM 1193 N ARG A 76 5.821 14.243 5.893 1.00 60.23 N ATOM 1194 CA ARG A 76 6.731 13.077 5.760 1.00 65.24 C ATOM 1195 C ARG A 76 5.940 11.754 5.574 1.00 35.15 C ATOM 1196 O ARG A 76 6.422 10.842 4.909 1.00 1.30 O ATOM 1197 CB ARG A 76 7.682 12.996 6.994 1.00 31.40 C ATOM 1198 CG ARG A 76 8.711 11.827 6.990 1.00 35.54 C ATOM 1199 CD ARG A 76 9.633 11.814 5.747 1.00 71.23 C ATOM 1200 NE ARG A 76 10.400 13.070 5.581 1.00 60.40 N ATOM 1201 CZ ARG A 76 11.586 13.181 5.013 1.00 33.52 C ATOM 1202 NH1 ARG A 76 12.236 12.139 4.596 1.00 11.34 N ATOM 1203 NH2 ARG A 76 12.119 14.345 4.872 1.00 71.34 N ATOM 0 H ARG A 76 5.789 14.631 6.836 1.00 60.23 H new ATOM 0 HA ARG A 76 7.335 13.217 4.864 1.00 65.24 H new ATOM 0 HB2 ARG A 76 8.230 13.935 7.067 1.00 31.40 H new ATOM 0 HB3 ARG A 76 7.071 12.913 7.893 1.00 31.40 H new ATOM 0 HG2 ARG A 76 9.326 11.893 7.887 1.00 35.54 H new ATOM 0 HG3 ARG A 76 8.173 10.881 7.042 1.00 35.54 H new ATOM 0 HD2 ARG A 76 10.328 10.978 5.826 1.00 71.23 H new ATOM 0 HD3 ARG A 76 9.029 11.643 4.856 1.00 71.23 H new ATOM 0 HE ARG A 76 9.974 13.925 5.937 1.00 60.40 H new ATOM 0 HH11 ARG A 76 11.832 11.209 4.704 1.00 11.34 H new ATOM 0 HH12 ARG A 76 13.151 12.250 4.160 1.00 11.34 H new ATOM 0 HH21 ARG A 76 11.625 15.175 5.199 1.00 71.34 H new ATOM 0 HH22 ARG A 76 13.035 14.437 4.434 1.00 71.34 H new ATOM 1217 N PHE A 77 4.719 11.678 6.145 1.00 22.12 N ATOM 1218 CA PHE A 77 3.804 10.513 5.989 1.00 22.34 C ATOM 1219 C PHE A 77 3.438 10.291 4.500 1.00 72.12 C ATOM 1220 O PHE A 77 3.457 9.161 4.023 1.00 52.42 O ATOM 1221 CB PHE A 77 2.522 10.723 6.854 1.00 62.22 C ATOM 1222 CG PHE A 77 1.405 9.679 6.680 1.00 44.44 C ATOM 1223 CD1 PHE A 77 1.629 8.332 6.957 1.00 72.42 C ATOM 1224 CD2 PHE A 77 0.126 10.052 6.258 1.00 24.24 C ATOM 1225 CE1 PHE A 77 0.621 7.393 6.814 1.00 52.43 C ATOM 1226 CE2 PHE A 77 -0.882 9.113 6.119 1.00 55.42 C ATOM 1227 CZ PHE A 77 -0.636 7.785 6.400 1.00 72.32 C ATOM 0 H PHE A 77 4.334 12.420 6.729 1.00 22.12 H new ATOM 0 HA PHE A 77 4.317 9.617 6.339 1.00 22.34 H new ATOM 0 HB2 PHE A 77 2.816 10.738 7.904 1.00 62.22 H new ATOM 0 HB3 PHE A 77 2.111 11.706 6.624 1.00 62.22 H new ATOM 0 HD1 PHE A 77 2.606 8.014 7.289 1.00 72.42 H new ATOM 0 HD2 PHE A 77 -0.079 11.089 6.037 1.00 24.24 H new ATOM 0 HE1 PHE A 77 0.819 6.353 7.027 1.00 52.43 H new ATOM 0 HE2 PHE A 77 -1.863 9.421 5.790 1.00 55.42 H new ATOM 0 HZ PHE A 77 -1.425 7.054 6.296 1.00 72.32 H new ATOM 1237 N ILE A 78 3.139 11.393 3.781 1.00 4.34 N ATOM 1238 CA ILE A 78 2.853 11.369 2.319 1.00 33.30 C ATOM 1239 C ILE A 78 4.101 10.910 1.512 1.00 71.24 C ATOM 1240 O ILE A 78 3.983 10.119 0.564 1.00 0.41 O ATOM 1241 CB ILE A 78 2.359 12.785 1.820 1.00 31.11 C ATOM 1242 CG1 ILE A 78 1.057 13.204 2.584 1.00 75.42 C ATOM 1243 CG2 ILE A 78 2.133 12.815 0.283 1.00 42.15 C ATOM 1244 CD1 ILE A 78 0.565 14.618 2.297 1.00 74.14 C ATOM 0 H ILE A 78 3.087 12.326 4.190 1.00 4.34 H new ATOM 0 HA ILE A 78 2.055 10.647 2.147 1.00 33.30 H new ATOM 0 HB ILE A 78 3.146 13.507 2.040 1.00 31.11 H new ATOM 0 HG12 ILE A 78 0.263 12.501 2.330 1.00 75.42 H new ATOM 0 HG13 ILE A 78 1.236 13.109 3.655 1.00 75.42 H new ATOM 0 HG21 ILE A 78 1.794 13.807 -0.016 1.00 42.15 H new ATOM 0 HG22 ILE A 78 3.068 12.582 -0.227 1.00 42.15 H new ATOM 0 HG23 ILE A 78 1.378 12.077 0.012 1.00 42.15 H new ATOM 0 HD11 ILE A 78 -0.340 14.812 2.873 1.00 74.14 H new ATOM 0 HD12 ILE A 78 1.335 15.336 2.579 1.00 74.14 H new ATOM 0 HD13 ILE A 78 0.347 14.719 1.234 1.00 74.14 H new ATOM 1256 N GLU A 79 5.293 11.398 1.920 1.00 73.13 N ATOM 1257 CA GLU A 79 6.588 10.967 1.331 1.00 11.05 C ATOM 1258 C GLU A 79 6.821 9.448 1.511 1.00 33.15 C ATOM 1259 O GLU A 79 7.298 8.758 0.597 1.00 5.04 O ATOM 1260 CB GLU A 79 7.764 11.763 1.956 1.00 25.53 C ATOM 1261 CG GLU A 79 7.736 13.279 1.671 1.00 11.22 C ATOM 1262 CD GLU A 79 8.910 14.035 2.320 1.00 32.15 C ATOM 1263 OE1 GLU A 79 10.052 13.917 1.821 1.00 52.42 O ATOM 1264 OE2 GLU A 79 8.704 14.740 3.330 1.00 21.34 O ATOM 0 H GLU A 79 5.389 12.095 2.659 1.00 73.13 H new ATOM 0 HA GLU A 79 6.544 11.176 0.262 1.00 11.05 H new ATOM 0 HB2 GLU A 79 7.757 11.609 3.035 1.00 25.53 H new ATOM 0 HB3 GLU A 79 8.702 11.353 1.582 1.00 25.53 H new ATOM 0 HG2 GLU A 79 7.758 13.441 0.593 1.00 11.22 H new ATOM 0 HG3 GLU A 79 6.797 13.695 2.037 1.00 11.22 H new ATOM 1271 N LEU A 80 6.449 8.950 2.697 1.00 3.25 N ATOM 1272 CA LEU A 80 6.550 7.528 3.051 1.00 11.32 C ATOM 1273 C LEU A 80 5.541 6.673 2.252 1.00 10.22 C ATOM 1274 O LEU A 80 5.903 5.609 1.780 1.00 23.31 O ATOM 1275 CB LEU A 80 6.361 7.348 4.581 1.00 21.40 C ATOM 1276 CG LEU A 80 7.510 7.946 5.465 1.00 31.23 C ATOM 1277 CD1 LEU A 80 7.132 7.967 6.961 1.00 32.25 C ATOM 1278 CD2 LEU A 80 8.845 7.195 5.230 1.00 1.21 C ATOM 0 H LEU A 80 6.066 9.528 3.445 1.00 3.25 H new ATOM 0 HA LEU A 80 7.546 7.175 2.782 1.00 11.32 H new ATOM 0 HB2 LEU A 80 5.419 7.813 4.873 1.00 21.40 H new ATOM 0 HB3 LEU A 80 6.272 6.284 4.798 1.00 21.40 H new ATOM 0 HG LEU A 80 7.651 8.982 5.156 1.00 31.23 H new ATOM 0 HD11 LEU A 80 7.955 8.388 7.538 1.00 32.25 H new ATOM 0 HD12 LEU A 80 6.240 8.577 7.102 1.00 32.25 H new ATOM 0 HD13 LEU A 80 6.934 6.950 7.301 1.00 32.25 H new ATOM 0 HD21 LEU A 80 9.623 7.632 5.856 1.00 1.21 H new ATOM 0 HD22 LEU A 80 8.721 6.143 5.486 1.00 1.21 H new ATOM 0 HD23 LEU A 80 9.132 7.282 4.182 1.00 1.21 H new ATOM 1290 N ASN A 81 4.302 7.177 2.069 1.00 51.44 N ATOM 1291 CA ASN A 81 3.231 6.461 1.319 1.00 54.12 C ATOM 1292 C ASN A 81 3.668 6.100 -0.128 1.00 14.12 C ATOM 1293 O ASN A 81 3.389 5.005 -0.610 1.00 45.52 O ATOM 1294 CB ASN A 81 1.935 7.307 1.257 1.00 41.52 C ATOM 1295 CG ASN A 81 1.276 7.575 2.614 1.00 50.44 C ATOM 1296 OD1 ASN A 81 0.539 8.667 2.716 1.00 34.32 O flip ATOM 1297 ND2 ASN A 81 1.402 6.799 3.553 1.00 62.54 N flip ATOM 0 H ASN A 81 4.011 8.085 2.432 1.00 51.44 H new ATOM 0 HA ASN A 81 3.041 5.536 1.864 1.00 54.12 H new ATOM 0 HB2 ASN A 81 2.164 8.263 0.785 1.00 41.52 H new ATOM 0 HB3 ASN A 81 1.216 6.798 0.614 1.00 41.52 H new ATOM 0 HD21 ASN A 81 1.976 5.962 3.450 1.00 62.54 H new ATOM 0 HD22 ASN A 81 0.932 6.989 4.438 1.00 62.54 H new ATOM 1304 N PHE A 82 4.357 7.038 -0.803 1.00 41.52 N ATOM 1305 CA PHE A 82 4.880 6.823 -2.178 1.00 63.10 C ATOM 1306 C PHE A 82 5.949 5.705 -2.233 1.00 33.40 C ATOM 1307 O PHE A 82 5.841 4.784 -3.033 1.00 72.12 O ATOM 1308 CB PHE A 82 5.472 8.134 -2.758 1.00 33.30 C ATOM 1309 CG PHE A 82 4.456 9.081 -3.386 1.00 22.50 C ATOM 1310 CD1 PHE A 82 3.504 9.736 -2.607 1.00 55.41 C ATOM 1311 CD2 PHE A 82 4.469 9.330 -4.763 1.00 21.25 C ATOM 1312 CE1 PHE A 82 2.604 10.606 -3.183 1.00 12.44 C ATOM 1313 CE2 PHE A 82 3.563 10.199 -5.332 1.00 13.41 C ATOM 1314 CZ PHE A 82 2.633 10.833 -4.541 1.00 43.33 C ATOM 0 H PHE A 82 4.569 7.960 -0.421 1.00 41.52 H new ATOM 0 HA PHE A 82 4.031 6.508 -2.785 1.00 63.10 H new ATOM 0 HB2 PHE A 82 5.993 8.663 -1.960 1.00 33.30 H new ATOM 0 HB3 PHE A 82 6.218 7.876 -3.510 1.00 33.30 H new ATOM 0 HD1 PHE A 82 3.471 9.560 -1.542 1.00 55.41 H new ATOM 0 HD2 PHE A 82 5.198 8.835 -5.388 1.00 21.25 H new ATOM 0 HE1 PHE A 82 1.874 11.111 -2.568 1.00 12.44 H new ATOM 0 HE2 PHE A 82 3.583 10.382 -6.396 1.00 13.41 H new ATOM 0 HZ PHE A 82 1.922 11.512 -4.987 1.00 43.33 H new ATOM 1324 N LYS A 83 6.986 5.811 -1.385 1.00 3.23 N ATOM 1325 CA LYS A 83 8.131 4.863 -1.401 1.00 23.11 C ATOM 1326 C LYS A 83 7.752 3.465 -0.844 1.00 1.30 C ATOM 1327 O LYS A 83 8.375 2.455 -1.193 1.00 35.41 O ATOM 1328 CB LYS A 83 9.338 5.469 -0.639 1.00 24.23 C ATOM 1329 CG LYS A 83 9.117 5.707 0.872 1.00 33.31 C ATOM 1330 CD LYS A 83 10.299 6.453 1.533 1.00 74.22 C ATOM 1331 CE LYS A 83 10.489 7.880 0.978 1.00 42.51 C ATOM 1332 NZ LYS A 83 11.682 8.547 1.549 1.00 21.22 N ATOM 0 H LYS A 83 7.062 6.541 -0.677 1.00 3.23 H new ATOM 0 HA LYS A 83 8.416 4.709 -2.442 1.00 23.11 H new ATOM 0 HB2 LYS A 83 10.194 4.806 -0.764 1.00 24.23 H new ATOM 0 HB3 LYS A 83 9.600 6.419 -1.105 1.00 24.23 H new ATOM 0 HG2 LYS A 83 8.202 6.282 1.016 1.00 33.31 H new ATOM 0 HG3 LYS A 83 8.972 4.748 1.370 1.00 33.31 H new ATOM 0 HD2 LYS A 83 10.134 6.505 2.609 1.00 74.22 H new ATOM 0 HD3 LYS A 83 11.215 5.883 1.378 1.00 74.22 H new ATOM 0 HE2 LYS A 83 10.583 7.837 -0.107 1.00 42.51 H new ATOM 0 HE3 LYS A 83 9.602 8.475 1.197 1.00 42.51 H new ATOM 0 HZ1 LYS A 83 11.771 9.503 1.148 1.00 21.22 H new ATOM 0 HZ2 LYS A 83 11.582 8.613 2.582 1.00 21.22 H new ATOM 0 HZ3 LYS A 83 12.532 7.995 1.318 1.00 21.22 H new ATOM 1346 N HIS A 84 6.733 3.439 0.031 1.00 63.51 N ATOM 1347 CA HIS A 84 6.204 2.202 0.641 1.00 74.01 C ATOM 1348 C HIS A 84 5.239 1.442 -0.298 1.00 2.02 C ATOM 1349 O HIS A 84 5.315 0.223 -0.411 1.00 1.43 O ATOM 1350 CB HIS A 84 5.475 2.530 1.969 1.00 2.24 C ATOM 1351 CG HIS A 84 6.368 2.948 3.115 1.00 75.11 C ATOM 1352 ND1 HIS A 84 5.872 3.549 4.254 1.00 41.22 N ATOM 1353 CD2 HIS A 84 7.695 2.782 3.338 1.00 55.34 C ATOM 1354 CE1 HIS A 84 6.844 3.728 5.121 1.00 3.42 C ATOM 1355 NE2 HIS A 84 7.961 3.273 4.594 1.00 63.51 N ATOM 0 H HIS A 84 6.247 4.281 0.339 1.00 63.51 H new ATOM 0 HA HIS A 84 7.060 1.554 0.831 1.00 74.01 H new ATOM 0 HB2 HIS A 84 4.756 3.328 1.781 1.00 2.24 H new ATOM 0 HB3 HIS A 84 4.905 1.653 2.276 1.00 2.24 H new ATOM 0 HD2 HIS A 84 8.410 2.345 2.656 1.00 55.34 H new ATOM 0 HE1 HIS A 84 6.743 4.173 6.100 1.00 3.42 H new ATOM 0 HE2 HIS A 84 8.876 3.283 5.045 1.00 63.51 H new ATOM 1364 N LEU A 85 4.317 2.163 -0.947 1.00 72.12 N ATOM 1365 CA LEU A 85 3.268 1.533 -1.787 1.00 41.20 C ATOM 1366 C LEU A 85 3.697 1.400 -3.256 1.00 54.45 C ATOM 1367 O LEU A 85 3.242 0.500 -3.944 1.00 33.03 O ATOM 1368 CB LEU A 85 1.951 2.341 -1.666 1.00 21.34 C ATOM 1369 CG LEU A 85 1.360 2.418 -0.222 1.00 71.21 C ATOM 1370 CD1 LEU A 85 0.102 3.310 -0.164 1.00 32.12 C ATOM 1371 CD2 LEU A 85 1.078 1.003 0.325 1.00 63.54 C ATOM 0 H LEU A 85 4.268 3.181 -0.913 1.00 72.12 H new ATOM 0 HA LEU A 85 3.107 0.520 -1.419 1.00 41.20 H new ATOM 0 HB2 LEU A 85 2.129 3.355 -2.025 1.00 21.34 H new ATOM 0 HB3 LEU A 85 1.206 1.895 -2.325 1.00 21.34 H new ATOM 0 HG LEU A 85 2.107 2.886 0.419 1.00 71.21 H new ATOM 0 HD11 LEU A 85 -0.278 3.337 0.857 1.00 32.12 H new ATOM 0 HD12 LEU A 85 0.357 4.320 -0.483 1.00 32.12 H new ATOM 0 HD13 LEU A 85 -0.663 2.903 -0.825 1.00 32.12 H new ATOM 0 HD21 LEU A 85 0.667 1.077 1.332 1.00 63.54 H new ATOM 0 HD22 LEU A 85 0.362 0.498 -0.323 1.00 63.54 H new ATOM 0 HD23 LEU A 85 2.006 0.432 0.353 1.00 63.54 H new ATOM 1383 N LEU A 86 4.576 2.295 -3.728 1.00 11.42 N ATOM 1384 CA LEU A 86 5.070 2.273 -5.125 1.00 34.23 C ATOM 1385 C LEU A 86 6.611 2.074 -5.139 1.00 42.43 C ATOM 1386 O LEU A 86 7.095 0.955 -5.367 1.00 34.24 O ATOM 1387 CB LEU A 86 4.648 3.565 -5.909 1.00 12.22 C ATOM 1388 CG LEU A 86 3.108 3.904 -5.953 1.00 52.43 C ATOM 1389 CD1 LEU A 86 2.638 4.628 -4.666 1.00 4.31 C ATOM 1390 CD2 LEU A 86 2.726 4.719 -7.211 1.00 64.32 C ATOM 0 H LEU A 86 4.966 3.050 -3.164 1.00 11.42 H new ATOM 0 HA LEU A 86 4.608 1.431 -5.640 1.00 34.23 H new ATOM 0 HB2 LEU A 86 5.170 4.415 -5.468 1.00 12.22 H new ATOM 0 HB3 LEU A 86 5.004 3.470 -6.935 1.00 12.22 H new ATOM 0 HG LEU A 86 2.586 2.949 -6.008 1.00 52.43 H new ATOM 0 HD11 LEU A 86 1.572 4.843 -4.738 1.00 4.31 H new ATOM 0 HD12 LEU A 86 2.822 3.990 -3.802 1.00 4.31 H new ATOM 0 HD13 LEU A 86 3.189 5.561 -4.552 1.00 4.31 H new ATOM 0 HD21 LEU A 86 1.656 4.929 -7.198 1.00 64.32 H new ATOM 0 HD22 LEU A 86 3.280 5.658 -7.218 1.00 64.32 H new ATOM 0 HD23 LEU A 86 2.972 4.146 -8.105 1.00 64.32 H new ATOM 1402 N GLY A 87 7.373 3.156 -4.861 1.00 14.34 N ATOM 1403 CA GLY A 87 8.845 3.089 -4.854 1.00 12.32 C ATOM 1404 C GLY A 87 9.537 4.458 -4.866 1.00 24.32 C ATOM 1405 O GLY A 87 10.573 4.640 -4.209 1.00 2.31 O ATOM 0 H GLY A 87 6.993 4.077 -4.641 1.00 14.34 H new ATOM 0 HA2 GLY A 87 9.168 2.539 -3.970 1.00 12.32 H new ATOM 0 HA3 GLY A 87 9.176 2.520 -5.723 1.00 12.32 H new ATOM 1409 N ARG A 88 8.975 5.431 -5.621 1.00 12.32 N ATOM 1410 CA ARG A 88 9.594 6.777 -5.782 1.00 62.14 C ATOM 1411 C ARG A 88 9.297 7.742 -4.598 1.00 74.31 C ATOM 1412 O ARG A 88 8.522 7.428 -3.692 1.00 0.21 O ATOM 1413 CB ARG A 88 9.158 7.431 -7.127 1.00 40.42 C ATOM 1414 CG ARG A 88 7.661 7.804 -7.236 1.00 31.54 C ATOM 1415 CD ARG A 88 7.345 8.538 -8.557 1.00 14.12 C ATOM 1416 NE ARG A 88 5.923 8.930 -8.652 1.00 33.52 N ATOM 1417 CZ ARG A 88 5.462 10.161 -8.728 1.00 63.51 C ATOM 1418 NH1 ARG A 88 6.258 11.180 -8.665 1.00 62.10 N ATOM 1419 NH2 ARG A 88 4.193 10.356 -8.882 1.00 3.33 N ATOM 0 H ARG A 88 8.098 5.314 -6.128 1.00 12.32 H new ATOM 0 HA ARG A 88 10.671 6.611 -5.789 1.00 62.14 H new ATOM 0 HB2 ARG A 88 9.751 8.333 -7.280 1.00 40.42 H new ATOM 0 HB3 ARG A 88 9.403 6.747 -7.939 1.00 40.42 H new ATOM 0 HG2 ARG A 88 7.056 6.900 -7.169 1.00 31.54 H new ATOM 0 HG3 ARG A 88 7.382 8.437 -6.393 1.00 31.54 H new ATOM 0 HD2 ARG A 88 7.971 9.427 -8.635 1.00 14.12 H new ATOM 0 HD3 ARG A 88 7.599 7.894 -9.398 1.00 14.12 H new ATOM 0 HE ARG A 88 5.235 8.177 -8.659 1.00 33.52 H new ATOM 0 HH11 ARG A 88 7.262 11.037 -8.555 1.00 62.10 H new ATOM 0 HH12 ARG A 88 5.881 12.126 -8.726 1.00 62.10 H new ATOM 0 HH21 ARG A 88 3.558 9.560 -8.944 1.00 3.33 H new ATOM 0 HH22 ARG A 88 3.827 11.306 -8.942 1.00 3.33 H new ATOM 1433 N ALA A 89 9.945 8.928 -4.635 1.00 4.23 N ATOM 1434 CA ALA A 89 9.802 9.991 -3.611 1.00 52.34 C ATOM 1435 C ALA A 89 9.104 11.240 -4.225 1.00 20.30 C ATOM 1436 O ALA A 89 9.585 11.756 -5.248 1.00 3.51 O ATOM 1437 CB ALA A 89 11.185 10.356 -3.034 1.00 35.45 C ATOM 0 H ALA A 89 10.590 9.178 -5.385 1.00 4.23 H new ATOM 0 HA ALA A 89 9.178 9.622 -2.797 1.00 52.34 H new ATOM 0 HB1 ALA A 89 11.071 11.137 -2.283 1.00 35.45 H new ATOM 0 HB2 ALA A 89 11.632 9.474 -2.575 1.00 35.45 H new ATOM 0 HB3 ALA A 89 11.831 10.715 -3.836 1.00 35.45 H new ATOM 1443 N PRO A 90 7.957 11.739 -3.640 1.00 70.44 N ATOM 1444 CA PRO A 90 7.194 12.883 -4.203 1.00 73.55 C ATOM 1445 C PRO A 90 7.906 14.240 -3.949 1.00 10.13 C ATOM 1446 O PRO A 90 7.581 14.983 -3.009 1.00 40.03 O ATOM 1447 CB PRO A 90 5.836 12.789 -3.467 1.00 34.53 C ATOM 1448 CG PRO A 90 6.195 12.235 -2.123 1.00 13.14 C ATOM 1449 CD PRO A 90 7.349 11.267 -2.364 1.00 10.43 C ATOM 0 HA PRO A 90 7.094 12.837 -5.287 1.00 73.55 H new ATOM 0 HB2 PRO A 90 5.358 13.765 -3.383 1.00 34.53 H new ATOM 0 HB3 PRO A 90 5.139 12.138 -3.995 1.00 34.53 H new ATOM 0 HG2 PRO A 90 6.489 13.031 -1.439 1.00 13.14 H new ATOM 0 HG3 PRO A 90 5.345 11.724 -1.671 1.00 13.14 H new ATOM 0 HD2 PRO A 90 8.069 11.293 -1.546 1.00 10.43 H new ATOM 0 HD3 PRO A 90 6.997 10.239 -2.446 1.00 10.43 H new ATOM 1457 N TYR A 91 8.899 14.535 -4.799 1.00 32.12 N ATOM 1458 CA TYR A 91 9.719 15.766 -4.703 1.00 45.14 C ATOM 1459 C TYR A 91 8.891 17.044 -5.012 1.00 30.51 C ATOM 1460 O TYR A 91 9.330 18.162 -4.718 1.00 71.44 O ATOM 1461 CB TYR A 91 10.954 15.663 -5.646 1.00 61.43 C ATOM 1462 CG TYR A 91 10.607 15.550 -7.144 1.00 61.12 C ATOM 1463 CD1 TYR A 91 10.461 16.691 -7.939 1.00 5.33 C ATOM 1464 CD2 TYR A 91 10.408 14.305 -7.751 1.00 41.03 C ATOM 1465 CE1 TYR A 91 10.125 16.600 -9.270 1.00 4.10 C ATOM 1466 CE2 TYR A 91 10.076 14.208 -9.090 1.00 31.42 C ATOM 1467 CZ TYR A 91 9.937 15.359 -9.847 1.00 14.33 C ATOM 1468 OH TYR A 91 9.587 15.269 -11.183 1.00 62.04 O ATOM 0 H TYR A 91 9.162 13.930 -5.577 1.00 32.12 H new ATOM 0 HA TYR A 91 10.066 15.854 -3.673 1.00 45.14 H new ATOM 0 HB2 TYR A 91 11.583 16.540 -5.497 1.00 61.43 H new ATOM 0 HB3 TYR A 91 11.545 14.794 -5.356 1.00 61.43 H new ATOM 0 HD1 TYR A 91 10.615 17.665 -7.499 1.00 5.33 H new ATOM 0 HD2 TYR A 91 10.515 13.405 -7.164 1.00 41.03 H new ATOM 0 HE1 TYR A 91 10.009 17.496 -9.862 1.00 4.10 H new ATOM 0 HE2 TYR A 91 9.926 13.239 -9.543 1.00 31.42 H new ATOM 0 HH TYR A 91 9.494 14.326 -11.434 1.00 62.04 H new ATOM 1478 N ASP A 92 7.704 16.867 -5.627 1.00 41.02 N ATOM 1479 CA ASP A 92 6.802 17.976 -5.976 1.00 74.45 C ATOM 1480 C ASP A 92 5.985 18.411 -4.741 1.00 52.32 C ATOM 1481 O ASP A 92 5.246 17.599 -4.174 1.00 45.55 O ATOM 1482 CB ASP A 92 5.841 17.536 -7.111 1.00 54.25 C ATOM 1483 CG ASP A 92 6.571 16.902 -8.299 1.00 13.33 C ATOM 1484 OD1 ASP A 92 6.831 15.676 -8.266 1.00 72.10 O ATOM 1485 OD2 ASP A 92 6.903 17.624 -9.257 1.00 72.02 O ATOM 0 H ASP A 92 7.347 15.950 -5.894 1.00 41.02 H new ATOM 0 HA ASP A 92 7.401 18.820 -6.317 1.00 74.45 H new ATOM 0 HB2 ASP A 92 5.119 16.823 -6.713 1.00 54.25 H new ATOM 0 HB3 ASP A 92 5.277 18.401 -7.458 1.00 54.25 H new ATOM 1490 N GLN A 93 6.135 19.678 -4.320 1.00 22.25 N ATOM 1491 CA GLN A 93 5.309 20.248 -3.223 1.00 71.23 C ATOM 1492 C GLN A 93 3.820 20.364 -3.642 1.00 73.33 C ATOM 1493 O GLN A 93 2.927 20.268 -2.802 1.00 22.41 O ATOM 1494 CB GLN A 93 5.856 21.626 -2.758 1.00 43.15 C ATOM 1495 CG GLN A 93 5.105 22.215 -1.543 1.00 1.31 C ATOM 1496 CD GLN A 93 5.704 23.514 -1.008 1.00 53.45 C ATOM 1497 OE1 GLN A 93 5.344 24.613 -1.428 1.00 13.42 O ATOM 1498 NE2 GLN A 93 6.620 23.395 -0.070 1.00 4.31 N ATOM 0 H GLN A 93 6.814 20.329 -4.714 1.00 22.25 H new ATOM 0 HA GLN A 93 5.371 19.560 -2.380 1.00 71.23 H new ATOM 0 HB2 GLN A 93 6.911 21.522 -2.506 1.00 43.15 H new ATOM 0 HB3 GLN A 93 5.795 22.330 -3.588 1.00 43.15 H new ATOM 0 HG2 GLN A 93 4.067 22.395 -1.824 1.00 1.31 H new ATOM 0 HG3 GLN A 93 5.095 21.475 -0.742 1.00 1.31 H new ATOM 0 HE21 GLN A 93 6.897 22.470 0.257 1.00 4.31 H new ATOM 0 HE22 GLN A 93 7.052 24.228 0.329 1.00 4.31 H new ATOM 1507 N ALA A 94 3.575 20.554 -4.954 1.00 22.33 N ATOM 1508 CA ALA A 94 2.213 20.542 -5.542 1.00 60.12 C ATOM 1509 C ALA A 94 1.538 19.156 -5.384 1.00 1.04 C ATOM 1510 O ALA A 94 0.330 19.068 -5.163 1.00 22.32 O ATOM 1511 CB ALA A 94 2.273 20.946 -7.023 1.00 14.44 C ATOM 0 H ALA A 94 4.313 20.720 -5.639 1.00 22.33 H new ATOM 0 HA ALA A 94 1.606 21.267 -5.000 1.00 60.12 H new ATOM 0 HB1 ALA A 94 1.268 20.934 -7.444 1.00 14.44 H new ATOM 0 HB2 ALA A 94 2.691 21.949 -7.110 1.00 14.44 H new ATOM 0 HB3 ALA A 94 2.903 20.242 -7.567 1.00 14.44 H new ATOM 1517 N GLU A 95 2.354 18.085 -5.494 1.00 4.24 N ATOM 1518 CA GLU A 95 1.911 16.683 -5.290 1.00 23.23 C ATOM 1519 C GLU A 95 1.535 16.434 -3.805 1.00 74.23 C ATOM 1520 O GLU A 95 0.459 15.914 -3.500 1.00 41.21 O ATOM 1521 CB GLU A 95 3.048 15.708 -5.720 1.00 42.23 C ATOM 1522 CG GLU A 95 2.749 14.198 -5.566 1.00 73.25 C ATOM 1523 CD GLU A 95 1.802 13.619 -6.642 1.00 64.44 C ATOM 1524 OE1 GLU A 95 0.579 13.860 -6.573 1.00 30.51 O ATOM 1525 OE2 GLU A 95 2.278 12.894 -7.539 1.00 23.20 O ATOM 0 H GLU A 95 3.344 18.166 -5.728 1.00 4.24 H new ATOM 0 HA GLU A 95 1.027 16.505 -5.902 1.00 23.23 H new ATOM 0 HB2 GLU A 95 3.291 15.904 -6.764 1.00 42.23 H new ATOM 0 HB3 GLU A 95 3.939 15.942 -5.137 1.00 42.23 H new ATOM 0 HG2 GLU A 95 3.690 13.649 -5.595 1.00 73.25 H new ATOM 0 HG3 GLU A 95 2.310 14.026 -4.583 1.00 73.25 H new ATOM 1532 N VAL A 96 2.435 16.846 -2.895 1.00 52.14 N ATOM 1533 CA VAL A 96 2.267 16.681 -1.426 1.00 21.20 C ATOM 1534 C VAL A 96 1.030 17.472 -0.907 1.00 35.21 C ATOM 1535 O VAL A 96 0.233 16.954 -0.122 1.00 31.15 O ATOM 1536 CB VAL A 96 3.577 17.133 -0.673 1.00 43.42 C ATOM 1537 CG1 VAL A 96 3.420 17.083 0.871 1.00 74.34 C ATOM 1538 CG2 VAL A 96 4.794 16.282 -1.136 1.00 12.53 C ATOM 0 H VAL A 96 3.308 17.307 -3.152 1.00 52.14 H new ATOM 0 HA VAL A 96 2.093 15.625 -1.220 1.00 21.20 H new ATOM 0 HB VAL A 96 3.757 18.175 -0.937 1.00 43.42 H new ATOM 0 HG11 VAL A 96 4.349 17.403 1.342 1.00 74.34 H new ATOM 0 HG12 VAL A 96 2.611 17.747 1.176 1.00 74.34 H new ATOM 0 HG13 VAL A 96 3.189 16.064 1.180 1.00 74.34 H new ATOM 0 HG21 VAL A 96 5.689 16.608 -0.606 1.00 12.53 H new ATOM 0 HG22 VAL A 96 4.606 15.230 -0.919 1.00 12.53 H new ATOM 0 HG23 VAL A 96 4.941 16.410 -2.208 1.00 12.53 H new ATOM 1548 N ALA A 97 0.884 18.718 -1.390 1.00 61.41 N ATOM 1549 CA ALA A 97 -0.271 19.600 -1.080 1.00 71.40 C ATOM 1550 C ALA A 97 -1.598 19.049 -1.665 1.00 50.34 C ATOM 1551 O ALA A 97 -2.667 19.209 -1.059 1.00 74.13 O ATOM 1552 CB ALA A 97 -0.002 21.027 -1.599 1.00 21.11 C ATOM 0 H ALA A 97 1.566 19.151 -2.012 1.00 61.41 H new ATOM 0 HA ALA A 97 -0.384 19.627 0.004 1.00 71.40 H new ATOM 0 HB1 ALA A 97 -0.854 21.665 -1.367 1.00 21.11 H new ATOM 0 HB2 ALA A 97 0.892 21.426 -1.119 1.00 21.11 H new ATOM 0 HB3 ALA A 97 0.147 20.999 -2.678 1.00 21.11 H new ATOM 1558 N ALA A 98 -1.511 18.399 -2.845 1.00 63.30 N ATOM 1559 CA ALA A 98 -2.675 17.748 -3.497 1.00 24.54 C ATOM 1560 C ALA A 98 -3.174 16.539 -2.676 1.00 22.21 C ATOM 1561 O ALA A 98 -4.378 16.374 -2.474 1.00 2.31 O ATOM 1562 CB ALA A 98 -2.322 17.312 -4.930 1.00 72.34 C ATOM 0 H ALA A 98 -0.642 18.309 -3.371 1.00 63.30 H new ATOM 0 HA ALA A 98 -3.481 18.481 -3.543 1.00 24.54 H new ATOM 0 HB1 ALA A 98 -3.189 16.837 -5.390 1.00 72.34 H new ATOM 0 HB2 ALA A 98 -2.033 18.185 -5.515 1.00 72.34 H new ATOM 0 HB3 ALA A 98 -1.493 16.604 -4.901 1.00 72.34 H new ATOM 1568 N HIS A 99 -2.225 15.708 -2.197 1.00 2.20 N ATOM 1569 CA HIS A 99 -2.536 14.519 -1.371 1.00 25.34 C ATOM 1570 C HIS A 99 -3.012 14.904 0.041 1.00 10.01 C ATOM 1571 O HIS A 99 -3.874 14.237 0.596 1.00 20.12 O ATOM 1572 CB HIS A 99 -1.325 13.547 -1.300 1.00 42.42 C ATOM 1573 CG HIS A 99 -1.112 12.779 -2.576 1.00 74.34 C ATOM 1574 ND1 HIS A 99 -1.923 11.731 -2.954 1.00 35.14 N ATOM 1575 CD2 HIS A 99 -0.233 12.935 -3.580 1.00 72.11 C ATOM 1576 CE1 HIS A 99 -1.555 11.286 -4.132 1.00 34.10 C ATOM 1577 NE2 HIS A 99 -0.528 12.001 -4.541 1.00 75.41 N ATOM 0 H HIS A 99 -1.228 15.839 -2.369 1.00 2.20 H new ATOM 0 HA HIS A 99 -3.360 14.001 -1.862 1.00 25.34 H new ATOM 0 HB2 HIS A 99 -0.424 14.115 -1.069 1.00 42.42 H new ATOM 0 HB3 HIS A 99 -1.478 12.844 -0.481 1.00 42.42 H new ATOM 0 HD1 HIS A 99 -2.694 11.357 -2.401 1.00 35.14 H new ATOM 0 HD2 HIS A 99 0.563 13.664 -3.623 1.00 72.11 H new ATOM 0 HE1 HIS A 99 -2.015 10.473 -4.673 1.00 34.10 H new ATOM 1586 N ALA A 100 -2.446 15.981 0.609 1.00 10.11 N ATOM 1587 CA ALA A 100 -2.902 16.539 1.902 1.00 43.02 C ATOM 1588 C ALA A 100 -4.377 17.000 1.831 1.00 14.11 C ATOM 1589 O ALA A 100 -5.195 16.632 2.675 1.00 74.52 O ATOM 1590 CB ALA A 100 -1.984 17.697 2.333 1.00 3.21 C ATOM 0 H ALA A 100 -1.666 16.489 0.193 1.00 10.11 H new ATOM 0 HA ALA A 100 -2.845 15.750 2.652 1.00 43.02 H new ATOM 0 HB1 ALA A 100 -2.329 18.100 3.285 1.00 3.21 H new ATOM 0 HB2 ALA A 100 -0.963 17.331 2.442 1.00 3.21 H new ATOM 0 HB3 ALA A 100 -2.009 18.482 1.577 1.00 3.21 H new ATOM 1596 N ALA A 101 -4.710 17.769 0.779 1.00 2.14 N ATOM 1597 CA ALA A 101 -6.074 18.309 0.573 1.00 13.50 C ATOM 1598 C ALA A 101 -7.117 17.193 0.293 1.00 41.02 C ATOM 1599 O ALA A 101 -8.238 17.252 0.801 1.00 34.45 O ATOM 1600 CB ALA A 101 -6.069 19.344 -0.564 1.00 65.41 C ATOM 0 H ALA A 101 -4.049 18.035 0.049 1.00 2.14 H new ATOM 0 HA ALA A 101 -6.374 18.796 1.501 1.00 13.50 H new ATOM 0 HB1 ALA A 101 -7.077 19.734 -0.706 1.00 65.41 H new ATOM 0 HB2 ALA A 101 -5.396 20.163 -0.308 1.00 65.41 H new ATOM 0 HB3 ALA A 101 -5.730 18.871 -1.485 1.00 65.41 H new ATOM 1606 N THR A 102 -6.722 16.176 -0.504 1.00 23.44 N ATOM 1607 CA THR A 102 -7.574 14.988 -0.805 1.00 1.32 C ATOM 1608 C THR A 102 -7.829 14.147 0.472 1.00 24.04 C ATOM 1609 O THR A 102 -8.942 13.666 0.706 1.00 42.13 O ATOM 1610 CB THR A 102 -6.925 14.089 -1.920 1.00 62.31 C ATOM 1611 OG1 THR A 102 -6.765 14.855 -3.127 1.00 34.10 O ATOM 1612 CG2 THR A 102 -7.751 12.820 -2.237 1.00 22.03 C ATOM 0 H THR A 102 -5.809 16.148 -0.958 1.00 23.44 H new ATOM 0 HA THR A 102 -8.530 15.359 -1.174 1.00 1.32 H new ATOM 0 HB THR A 102 -5.960 13.761 -1.533 1.00 62.31 H new ATOM 0 HG1 THR A 102 -5.958 15.408 -3.059 1.00 34.10 H new ATOM 0 HG21 THR A 102 -7.249 12.244 -3.014 1.00 22.03 H new ATOM 0 HG22 THR A 102 -7.844 12.212 -1.337 1.00 22.03 H new ATOM 0 HG23 THR A 102 -8.743 13.109 -2.584 1.00 22.03 H new ATOM 1620 N TYR A 103 -6.769 13.997 1.281 1.00 72.32 N ATOM 1621 CA TYR A 103 -6.799 13.326 2.604 1.00 13.10 C ATOM 1622 C TYR A 103 -7.829 13.983 3.567 1.00 24.34 C ATOM 1623 O TYR A 103 -8.559 13.293 4.278 1.00 53.52 O ATOM 1624 CB TYR A 103 -5.363 13.405 3.197 1.00 5.13 C ATOM 1625 CG TYR A 103 -5.069 12.523 4.420 1.00 64.42 C ATOM 1626 CD1 TYR A 103 -5.385 12.945 5.716 1.00 33.10 C ATOM 1627 CD2 TYR A 103 -4.448 11.282 4.268 1.00 24.32 C ATOM 1628 CE1 TYR A 103 -5.094 12.153 6.811 1.00 30.43 C ATOM 1629 CE2 TYR A 103 -4.153 10.495 5.360 1.00 42.11 C ATOM 1630 CZ TYR A 103 -4.478 10.931 6.627 1.00 33.11 C ATOM 1631 OH TYR A 103 -4.180 10.134 7.715 1.00 52.51 O ATOM 0 H TYR A 103 -5.842 14.345 1.034 1.00 72.32 H new ATOM 0 HA TYR A 103 -7.114 12.290 2.482 1.00 13.10 H new ATOM 0 HB2 TYR A 103 -4.656 13.142 2.410 1.00 5.13 H new ATOM 0 HB3 TYR A 103 -5.165 14.441 3.470 1.00 5.13 H new ATOM 0 HD1 TYR A 103 -5.863 13.902 5.863 1.00 33.10 H new ATOM 0 HD2 TYR A 103 -4.195 10.933 3.278 1.00 24.32 H new ATOM 0 HE1 TYR A 103 -5.347 12.488 7.806 1.00 30.43 H new ATOM 0 HE2 TYR A 103 -3.669 9.539 5.224 1.00 42.11 H new ATOM 0 HH TYR A 103 -3.727 10.670 8.399 1.00 52.51 H new ATOM 1641 N HIS A 104 -7.852 15.329 3.598 1.00 72.31 N ATOM 1642 CA HIS A 104 -8.797 16.103 4.441 1.00 31.32 C ATOM 1643 C HIS A 104 -10.238 16.125 3.853 1.00 44.41 C ATOM 1644 O HIS A 104 -11.215 16.045 4.603 1.00 42.21 O ATOM 1645 CB HIS A 104 -8.271 17.553 4.664 1.00 65.13 C ATOM 1646 CG HIS A 104 -7.111 17.657 5.629 1.00 73.32 C ATOM 1647 ND1 HIS A 104 -5.772 17.734 5.436 1.00 52.14 N flip ATOM 1648 CD2 HIS A 104 -7.289 17.722 6.991 1.00 32.31 C flip ATOM 1649 CE1 HIS A 104 -5.186 17.842 6.670 1.00 71.30 C flip ATOM 1650 NE2 HIS A 104 -6.126 17.833 7.588 1.00 31.31 N flip ATOM 0 H HIS A 104 -7.223 15.912 3.045 1.00 72.31 H new ATOM 0 HA HIS A 104 -8.855 15.596 5.404 1.00 31.32 H new ATOM 0 HB2 HIS A 104 -7.966 17.967 3.703 1.00 65.13 H new ATOM 0 HB3 HIS A 104 -9.090 18.171 5.032 1.00 65.13 H new ATOM 0 HD1 HIS A 104 -5.289 17.715 4.538 1.00 52.14 H new ATOM 0 HD2 HIS A 104 -8.244 17.687 7.494 1.00 32.31 H new ATOM 0 HE1 HIS A 104 -4.125 17.921 6.857 1.00 71.30 H new ATOM 1659 N SER A 105 -10.362 16.214 2.512 1.00 42.53 N ATOM 1660 CA SER A 105 -11.677 16.446 1.837 1.00 30.15 C ATOM 1661 C SER A 105 -12.496 15.151 1.634 1.00 34.51 C ATOM 1662 O SER A 105 -13.718 15.141 1.810 1.00 11.34 O ATOM 1663 CB SER A 105 -11.434 17.100 0.451 1.00 1.33 C ATOM 1664 OG SER A 105 -12.628 17.213 -0.316 1.00 5.04 O ATOM 0 H SER A 105 -9.575 16.130 1.868 1.00 42.53 H new ATOM 0 HA SER A 105 -12.254 17.099 2.492 1.00 30.15 H new ATOM 0 HB2 SER A 105 -11.001 18.090 0.591 1.00 1.33 H new ATOM 0 HB3 SER A 105 -10.705 16.509 -0.103 1.00 1.33 H new ATOM 0 HG SER A 105 -12.424 17.631 -1.179 1.00 5.04 H new ATOM 1670 N HIS A 106 -11.808 14.063 1.264 1.00 23.42 N ATOM 1671 CA HIS A 106 -12.455 12.764 0.932 1.00 3.20 C ATOM 1672 C HIS A 106 -12.114 11.656 1.950 1.00 75.31 C ATOM 1673 O HIS A 106 -12.541 10.505 1.793 1.00 51.02 O ATOM 1674 CB HIS A 106 -12.043 12.349 -0.506 1.00 72.32 C ATOM 1675 CG HIS A 106 -12.328 13.413 -1.534 1.00 44.04 C ATOM 1676 ND1 HIS A 106 -13.607 13.812 -1.856 1.00 40.31 N ATOM 1677 CD2 HIS A 106 -11.501 14.211 -2.256 1.00 20.32 C ATOM 1678 CE1 HIS A 106 -13.554 14.801 -2.720 1.00 64.04 C ATOM 1679 NE2 HIS A 106 -12.292 15.063 -2.984 1.00 74.24 N ATOM 0 H HIS A 106 -10.791 14.047 1.183 1.00 23.42 H new ATOM 0 HA HIS A 106 -13.536 12.897 0.983 1.00 3.20 H new ATOM 0 HB2 HIS A 106 -10.978 12.116 -0.519 1.00 72.32 H new ATOM 0 HB3 HIS A 106 -12.573 11.437 -0.780 1.00 72.32 H new ATOM 0 HD2 HIS A 106 -10.421 14.181 -2.257 1.00 20.32 H new ATOM 0 HE1 HIS A 106 -14.405 15.314 -3.143 1.00 64.04 H new ATOM 0 HE2 HIS A 106 -11.957 15.782 -3.625 1.00 74.24 H new ATOM 1688 N GLY A 107 -11.349 12.019 2.992 1.00 72.50 N ATOM 1689 CA GLY A 107 -10.934 11.070 4.035 1.00 75.41 C ATOM 1690 C GLY A 107 -9.608 10.386 3.716 1.00 54.13 C ATOM 1691 O GLY A 107 -9.164 10.393 2.559 1.00 42.31 O ATOM 0 H GLY A 107 -11.004 12.968 3.134 1.00 72.50 H new ATOM 0 HA2 GLY A 107 -10.847 11.596 4.985 1.00 75.41 H new ATOM 0 HA3 GLY A 107 -11.708 10.313 4.160 1.00 75.41 H new ATOM 1695 N TYR A 108 -8.976 9.799 4.751 1.00 53.32 N ATOM 1696 CA TYR A 108 -7.664 9.123 4.619 1.00 11.02 C ATOM 1697 C TYR A 108 -7.698 8.013 3.545 1.00 3.52 C ATOM 1698 O TYR A 108 -6.820 7.934 2.696 1.00 31.31 O ATOM 1699 CB TYR A 108 -7.198 8.548 5.992 1.00 42.42 C ATOM 1700 CG TYR A 108 -7.981 7.318 6.512 1.00 31.01 C ATOM 1701 CD1 TYR A 108 -9.247 7.447 7.095 1.00 5.24 C ATOM 1702 CD2 TYR A 108 -7.446 6.025 6.411 1.00 54.42 C ATOM 1703 CE1 TYR A 108 -9.942 6.341 7.554 1.00 41.50 C ATOM 1704 CE2 TYR A 108 -8.140 4.921 6.869 1.00 61.30 C ATOM 1705 CZ TYR A 108 -9.385 5.086 7.437 1.00 13.20 C ATOM 1706 OH TYR A 108 -10.082 3.984 7.890 1.00 42.42 O ATOM 0 H TYR A 108 -9.355 9.778 5.698 1.00 53.32 H new ATOM 0 HA TYR A 108 -6.942 9.872 4.294 1.00 11.02 H new ATOM 0 HB2 TYR A 108 -6.145 8.277 5.912 1.00 42.42 H new ATOM 0 HB3 TYR A 108 -7.267 9.340 6.738 1.00 42.42 H new ATOM 0 HD1 TYR A 108 -9.690 8.428 7.189 1.00 5.24 H new ATOM 0 HD2 TYR A 108 -6.471 5.889 5.966 1.00 54.42 H new ATOM 0 HE1 TYR A 108 -10.917 6.461 8.002 1.00 41.50 H new ATOM 0 HE2 TYR A 108 -7.709 3.934 6.782 1.00 61.30 H new ATOM 0 HH TYR A 108 -9.552 3.175 7.733 1.00 42.42 H new ATOM 1716 N ASP A 109 -8.776 7.215 3.583 1.00 0.03 N ATOM 1717 CA ASP A 109 -8.955 6.011 2.753 1.00 55.31 C ATOM 1718 C ASP A 109 -8.925 6.316 1.239 1.00 21.21 C ATOM 1719 O ASP A 109 -8.288 5.594 0.481 1.00 43.51 O ATOM 1720 CB ASP A 109 -10.269 5.295 3.166 1.00 44.11 C ATOM 1721 CG ASP A 109 -11.463 6.259 3.277 1.00 25.41 C ATOM 1722 OD1 ASP A 109 -12.119 6.537 2.259 1.00 63.54 O ATOM 1723 OD2 ASP A 109 -11.717 6.772 4.388 1.00 34.13 O ATOM 0 H ASP A 109 -9.565 7.391 4.205 1.00 0.03 H new ATOM 0 HA ASP A 109 -8.109 5.348 2.934 1.00 55.31 H new ATOM 0 HB2 ASP A 109 -10.500 4.520 2.435 1.00 44.11 H new ATOM 0 HB3 ASP A 109 -10.120 4.796 4.124 1.00 44.11 H new ATOM 1728 N ALA A 110 -9.593 7.406 0.826 1.00 12.42 N ATOM 1729 CA ALA A 110 -9.654 7.820 -0.595 1.00 14.24 C ATOM 1730 C ALA A 110 -8.258 8.188 -1.156 1.00 40.30 C ATOM 1731 O ALA A 110 -7.919 7.824 -2.290 1.00 1.53 O ATOM 1732 CB ALA A 110 -10.625 8.995 -0.759 1.00 34.32 C ATOM 0 H ALA A 110 -10.103 8.023 1.458 1.00 12.42 H new ATOM 0 HA ALA A 110 -10.017 6.969 -1.171 1.00 14.24 H new ATOM 0 HB1 ALA A 110 -10.663 9.292 -1.807 1.00 34.32 H new ATOM 0 HB2 ALA A 110 -11.620 8.693 -0.431 1.00 34.32 H new ATOM 0 HB3 ALA A 110 -10.284 9.836 -0.156 1.00 34.32 H new ATOM 1738 N ASP A 111 -7.452 8.897 -0.342 1.00 21.23 N ATOM 1739 CA ASP A 111 -6.094 9.337 -0.738 1.00 74.05 C ATOM 1740 C ASP A 111 -5.086 8.157 -0.717 1.00 73.14 C ATOM 1741 O ASP A 111 -4.193 8.066 -1.569 1.00 24.31 O ATOM 1742 CB ASP A 111 -5.612 10.490 0.180 1.00 42.21 C ATOM 1743 CG ASP A 111 -4.344 11.162 -0.368 1.00 2.33 C ATOM 1744 OD1 ASP A 111 -4.432 11.790 -1.445 1.00 33.21 O ATOM 1745 OD2 ASP A 111 -3.256 11.034 0.236 1.00 30.45 O ATOM 0 H ASP A 111 -7.718 9.180 0.601 1.00 21.23 H new ATOM 0 HA ASP A 111 -6.145 9.705 -1.763 1.00 74.05 H new ATOM 0 HB2 ASP A 111 -6.404 11.233 0.277 1.00 42.21 H new ATOM 0 HB3 ASP A 111 -5.415 10.101 1.179 1.00 42.21 H new ATOM 1750 N ILE A 112 -5.255 7.258 0.264 1.00 3.11 N ATOM 1751 CA ILE A 112 -4.455 6.019 0.385 1.00 65.12 C ATOM 1752 C ILE A 112 -4.731 5.049 -0.808 1.00 14.31 C ATOM 1753 O ILE A 112 -3.810 4.413 -1.344 1.00 63.30 O ATOM 1754 CB ILE A 112 -4.725 5.323 1.779 1.00 42.43 C ATOM 1755 CG1 ILE A 112 -4.229 6.222 2.975 1.00 11.22 C ATOM 1756 CG2 ILE A 112 -4.097 3.917 1.854 1.00 4.35 C ATOM 1757 CD1 ILE A 112 -2.734 6.518 2.998 1.00 11.03 C ATOM 0 H ILE A 112 -5.952 7.366 1.001 1.00 3.11 H new ATOM 0 HA ILE A 112 -3.399 6.285 0.342 1.00 65.12 H new ATOM 0 HB ILE A 112 -5.805 5.204 1.869 1.00 42.43 H new ATOM 0 HG12 ILE A 112 -4.769 7.169 2.943 1.00 11.22 H new ATOM 0 HG13 ILE A 112 -4.499 5.733 3.911 1.00 11.22 H new ATOM 0 HG21 ILE A 112 -4.307 3.476 2.828 1.00 4.35 H new ATOM 0 HG22 ILE A 112 -4.521 3.287 1.072 1.00 4.35 H new ATOM 0 HG23 ILE A 112 -3.019 3.992 1.715 1.00 4.35 H new ATOM 0 HD11 ILE A 112 -2.500 7.143 3.860 1.00 11.03 H new ATOM 0 HD12 ILE A 112 -2.179 5.582 3.067 1.00 11.03 H new ATOM 0 HD13 ILE A 112 -2.452 7.041 2.084 1.00 11.03 H new ATOM 1769 N ASN A 113 -6.005 4.980 -1.231 1.00 65.04 N ATOM 1770 CA ASN A 113 -6.424 4.211 -2.430 1.00 74.20 C ATOM 1771 C ASN A 113 -5.867 4.851 -3.728 1.00 11.51 C ATOM 1772 O ASN A 113 -5.591 4.144 -4.687 1.00 5.25 O ATOM 1773 CB ASN A 113 -7.974 4.091 -2.502 1.00 71.53 C ATOM 1774 CG ASN A 113 -8.595 3.112 -1.487 1.00 32.24 C ATOM 1775 OD1 ASN A 113 -7.994 2.941 -0.319 1.00 33.14 O flip ATOM 1776 ND2 ASN A 113 -9.630 2.509 -1.749 1.00 63.03 N flip ATOM 0 H ASN A 113 -6.776 5.452 -0.758 1.00 65.04 H new ATOM 0 HA ASN A 113 -6.007 3.208 -2.341 1.00 74.20 H new ATOM 0 HB2 ASN A 113 -8.408 5.078 -2.345 1.00 71.53 H new ATOM 0 HB3 ASN A 113 -8.253 3.776 -3.507 1.00 71.53 H new ATOM 0 HD21 ASN A 113 -10.086 2.647 -2.651 1.00 63.03 H new ATOM 0 HD22 ASN A 113 -10.035 1.870 -1.065 1.00 63.03 H new ATOM 1783 N SER A 114 -5.688 6.193 -3.739 1.00 34.21 N ATOM 1784 CA SER A 114 -5.121 6.932 -4.910 1.00 72.32 C ATOM 1785 C SER A 114 -3.709 6.427 -5.315 1.00 54.34 C ATOM 1786 O SER A 114 -3.325 6.527 -6.483 1.00 45.50 O ATOM 1787 CB SER A 114 -5.076 8.459 -4.640 1.00 41.40 C ATOM 1788 OG SER A 114 -6.378 8.999 -4.471 1.00 32.33 O ATOM 0 H SER A 114 -5.927 6.795 -2.951 1.00 34.21 H new ATOM 0 HA SER A 114 -5.792 6.734 -5.746 1.00 72.32 H new ATOM 0 HB2 SER A 114 -4.482 8.654 -3.747 1.00 41.40 H new ATOM 0 HB3 SER A 114 -4.578 8.961 -5.470 1.00 41.40 H new ATOM 0 HG SER A 114 -6.824 8.550 -3.723 1.00 32.33 H new ATOM 1794 N TYR A 115 -2.936 5.906 -4.337 1.00 13.42 N ATOM 1795 CA TYR A 115 -1.579 5.365 -4.589 1.00 54.20 C ATOM 1796 C TYR A 115 -1.629 3.970 -5.280 1.00 53.22 C ATOM 1797 O TYR A 115 -0.825 3.674 -6.168 1.00 33.05 O ATOM 1798 CB TYR A 115 -0.805 5.243 -3.250 1.00 12.23 C ATOM 1799 CG TYR A 115 -0.750 6.532 -2.403 1.00 71.21 C ATOM 1800 CD1 TYR A 115 -0.202 7.714 -2.904 1.00 44.20 C ATOM 1801 CD2 TYR A 115 -1.229 6.556 -1.091 1.00 13.45 C ATOM 1802 CE1 TYR A 115 -0.133 8.856 -2.124 1.00 71.31 C ATOM 1803 CE2 TYR A 115 -1.165 7.701 -0.318 1.00 4.45 C ATOM 1804 CZ TYR A 115 -0.619 8.848 -0.838 1.00 44.24 C ATOM 1805 OH TYR A 115 -0.525 9.980 -0.055 1.00 71.33 O ATOM 0 H TYR A 115 -3.229 5.848 -3.362 1.00 13.42 H new ATOM 0 HA TYR A 115 -1.069 6.057 -5.259 1.00 54.20 H new ATOM 0 HB2 TYR A 115 -1.265 4.455 -2.654 1.00 12.23 H new ATOM 0 HB3 TYR A 115 0.215 4.925 -3.466 1.00 12.23 H new ATOM 0 HD1 TYR A 115 0.174 7.738 -3.916 1.00 44.20 H new ATOM 0 HD2 TYR A 115 -1.659 5.659 -0.670 1.00 13.45 H new ATOM 0 HE1 TYR A 115 0.305 9.757 -2.528 1.00 71.31 H new ATOM 0 HE2 TYR A 115 -1.544 7.693 0.693 1.00 4.45 H new ATOM 0 HH TYR A 115 -1.414 10.376 0.055 1.00 71.33 H new ATOM 1815 N ILE A 116 -2.601 3.141 -4.862 1.00 32.53 N ATOM 1816 CA ILE A 116 -2.726 1.723 -5.298 1.00 22.03 C ATOM 1817 C ILE A 116 -3.503 1.582 -6.637 1.00 34.42 C ATOM 1818 O ILE A 116 -3.105 0.848 -7.546 1.00 70.21 O ATOM 1819 CB ILE A 116 -3.469 0.906 -4.173 1.00 3.50 C ATOM 1820 CG1 ILE A 116 -2.724 1.049 -2.803 1.00 53.00 C ATOM 1821 CG2 ILE A 116 -3.651 -0.582 -4.557 1.00 4.25 C ATOM 1822 CD1 ILE A 116 -1.330 0.442 -2.772 1.00 33.15 C ATOM 0 H ILE A 116 -3.330 3.429 -4.209 1.00 32.53 H new ATOM 0 HA ILE A 116 -1.721 1.334 -5.462 1.00 22.03 H new ATOM 0 HB ILE A 116 -4.468 1.330 -4.068 1.00 3.50 H new ATOM 0 HG12 ILE A 116 -2.650 2.108 -2.554 1.00 53.00 H new ATOM 0 HG13 ILE A 116 -3.327 0.580 -2.026 1.00 53.00 H new ATOM 0 HG21 ILE A 116 -4.167 -1.105 -3.752 1.00 4.25 H new ATOM 0 HG22 ILE A 116 -4.240 -0.652 -5.472 1.00 4.25 H new ATOM 0 HG23 ILE A 116 -2.674 -1.038 -4.718 1.00 4.25 H new ATOM 0 HD11 ILE A 116 -0.891 0.588 -1.785 1.00 33.15 H new ATOM 0 HD12 ILE A 116 -1.393 -0.625 -2.987 1.00 33.15 H new ATOM 0 HD13 ILE A 116 -0.705 0.927 -3.522 1.00 33.15 H new ATOM 1834 N ASP A 117 -4.602 2.318 -6.741 1.00 24.00 N ATOM 1835 CA ASP A 117 -5.507 2.299 -7.911 1.00 52.33 C ATOM 1836 C ASP A 117 -4.991 3.199 -9.063 1.00 13.15 C ATOM 1837 O ASP A 117 -5.642 3.308 -10.111 1.00 12.34 O ATOM 1838 CB ASP A 117 -6.928 2.714 -7.457 1.00 63.45 C ATOM 1839 CG ASP A 117 -7.524 1.706 -6.449 1.00 35.01 C ATOM 1840 OD1 ASP A 117 -7.098 1.687 -5.268 1.00 33.25 O ATOM 1841 OD2 ASP A 117 -8.386 0.897 -6.849 1.00 75.21 O ATOM 0 H ASP A 117 -4.905 2.960 -6.009 1.00 24.00 H new ATOM 0 HA ASP A 117 -5.539 1.286 -8.312 1.00 52.33 H new ATOM 0 HB2 ASP A 117 -6.890 3.704 -7.002 1.00 63.45 H new ATOM 0 HB3 ASP A 117 -7.581 2.788 -8.327 1.00 63.45 H new ATOM 1846 N SER A 118 -3.814 3.829 -8.859 1.00 63.11 N ATOM 1847 CA SER A 118 -3.109 4.610 -9.902 1.00 10.22 C ATOM 1848 C SER A 118 -2.551 3.685 -11.005 1.00 24.21 C ATOM 1849 O SER A 118 -2.101 2.572 -10.714 1.00 24.14 O ATOM 1850 CB SER A 118 -1.940 5.412 -9.276 1.00 35.33 C ATOM 1851 OG SER A 118 -1.202 6.127 -10.260 1.00 3.04 O ATOM 0 H SER A 118 -3.324 3.811 -7.965 1.00 63.11 H new ATOM 0 HA SER A 118 -3.830 5.296 -10.346 1.00 10.22 H new ATOM 0 HB2 SER A 118 -2.333 6.111 -8.538 1.00 35.33 H new ATOM 0 HB3 SER A 118 -1.274 4.730 -8.747 1.00 35.33 H new ATOM 0 HG SER A 118 -0.475 6.622 -9.828 1.00 3.04 H new ATOM 1857 N ALA A 119 -2.562 4.170 -12.266 1.00 22.12 N ATOM 1858 CA ALA A 119 -2.005 3.431 -13.425 1.00 12.34 C ATOM 1859 C ALA A 119 -0.466 3.285 -13.321 1.00 4.42 C ATOM 1860 O ALA A 119 0.110 2.347 -13.881 1.00 23.22 O ATOM 1861 CB ALA A 119 -2.403 4.112 -14.746 1.00 73.13 C ATOM 0 H ALA A 119 -2.954 5.079 -12.510 1.00 22.12 H new ATOM 0 HA ALA A 119 -2.431 2.428 -13.413 1.00 12.34 H new ATOM 0 HB1 ALA A 119 -1.984 3.554 -15.584 1.00 73.13 H new ATOM 0 HB2 ALA A 119 -3.489 4.134 -14.831 1.00 73.13 H new ATOM 0 HB3 ALA A 119 -2.018 5.132 -14.760 1.00 73.13 H new ATOM 1867 N GLU A 120 0.187 4.227 -12.594 1.00 22.31 N ATOM 1868 CA GLU A 120 1.637 4.144 -12.280 1.00 11.03 C ATOM 1869 C GLU A 120 1.945 2.846 -11.490 1.00 5.10 C ATOM 1870 O GLU A 120 2.870 2.105 -11.823 1.00 2.21 O ATOM 1871 CB GLU A 120 2.101 5.376 -11.450 1.00 2.31 C ATOM 1872 CG GLU A 120 3.637 5.432 -11.202 1.00 32.05 C ATOM 1873 CD GLU A 120 4.084 6.485 -10.164 1.00 33.01 C ATOM 1874 OE1 GLU A 120 3.600 7.640 -10.219 1.00 13.23 O ATOM 1875 OE2 GLU A 120 4.930 6.161 -9.295 1.00 23.04 O ATOM 0 H GLU A 120 -0.270 5.056 -12.213 1.00 22.31 H new ATOM 0 HA GLU A 120 2.181 4.132 -13.224 1.00 11.03 H new ATOM 0 HB2 GLU A 120 1.794 6.285 -11.966 1.00 2.31 H new ATOM 0 HB3 GLU A 120 1.588 5.367 -10.488 1.00 2.31 H new ATOM 0 HG2 GLU A 120 3.974 4.450 -10.871 1.00 32.05 H new ATOM 0 HG3 GLU A 120 4.137 5.639 -12.148 1.00 32.05 H new ATOM 1882 N TYR A 121 1.125 2.576 -10.458 1.00 62.33 N ATOM 1883 CA TYR A 121 1.247 1.363 -9.626 1.00 13.14 C ATOM 1884 C TYR A 121 0.833 0.095 -10.415 1.00 22.45 C ATOM 1885 O TYR A 121 1.570 -0.882 -10.470 1.00 42.22 O ATOM 1886 CB TYR A 121 0.372 1.497 -8.345 1.00 30.42 C ATOM 1887 CG TYR A 121 0.363 0.239 -7.448 1.00 44.43 C ATOM 1888 CD1 TYR A 121 -0.565 -0.797 -7.651 1.00 75.24 C ATOM 1889 CD2 TYR A 121 1.281 0.074 -6.417 1.00 63.21 C ATOM 1890 CE1 TYR A 121 -0.566 -1.927 -6.869 1.00 13.43 C ATOM 1891 CE2 TYR A 121 1.279 -1.070 -5.635 1.00 2.25 C ATOM 1892 CZ TYR A 121 0.353 -2.061 -5.863 1.00 73.10 C ATOM 1893 OH TYR A 121 0.357 -3.201 -5.089 1.00 74.33 O ATOM 0 H TYR A 121 0.361 3.190 -10.177 1.00 62.33 H new ATOM 0 HA TYR A 121 2.293 1.260 -9.339 1.00 13.14 H new ATOM 0 HB2 TYR A 121 0.732 2.344 -7.760 1.00 30.42 H new ATOM 0 HB3 TYR A 121 -0.652 1.726 -8.641 1.00 30.42 H new ATOM 0 HD1 TYR A 121 -1.295 -0.703 -8.441 1.00 75.24 H new ATOM 0 HD2 TYR A 121 2.007 0.850 -6.223 1.00 63.21 H new ATOM 0 HE1 TYR A 121 -1.290 -2.708 -7.048 1.00 13.43 H new ATOM 0 HE2 TYR A 121 2.006 -1.184 -4.845 1.00 2.25 H new ATOM 0 HH TYR A 121 0.510 -3.983 -5.659 1.00 74.33 H new ATOM 1903 N THR A 122 -0.368 0.137 -11.008 1.00 15.45 N ATOM 1904 CA THR A 122 -1.035 -1.060 -11.590 1.00 22.42 C ATOM 1905 C THR A 122 -0.283 -1.625 -12.826 1.00 11.13 C ATOM 1906 O THR A 122 -0.310 -2.834 -13.081 1.00 21.22 O ATOM 1907 CB THR A 122 -2.528 -0.729 -11.955 1.00 42.45 C ATOM 1908 OG1 THR A 122 -3.196 -0.173 -10.800 1.00 60.11 O ATOM 1909 CG2 THR A 122 -3.326 -1.962 -12.427 1.00 31.12 C ATOM 0 H THR A 122 -0.912 0.994 -11.103 1.00 15.45 H new ATOM 0 HA THR A 122 -1.014 -1.839 -10.828 1.00 22.42 H new ATOM 0 HB THR A 122 -2.494 -0.018 -12.780 1.00 42.45 H new ATOM 0 HG1 THR A 122 -2.917 0.758 -10.677 1.00 60.11 H new ATOM 0 HG21 THR A 122 -4.348 -1.665 -12.663 1.00 31.12 H new ATOM 0 HG22 THR A 122 -2.855 -2.381 -13.316 1.00 31.12 H new ATOM 0 HG23 THR A 122 -3.339 -2.712 -11.636 1.00 31.12 H new ATOM 1917 N GLU A 123 0.398 -0.746 -13.585 1.00 72.12 N ATOM 1918 CA GLU A 123 1.155 -1.155 -14.796 1.00 15.10 C ATOM 1919 C GLU A 123 2.667 -1.396 -14.522 1.00 33.11 C ATOM 1920 O GLU A 123 3.277 -2.256 -15.165 1.00 23.32 O ATOM 1921 CB GLU A 123 0.951 -0.111 -15.926 1.00 63.24 C ATOM 1922 CG GLU A 123 -0.530 0.100 -16.316 1.00 74.10 C ATOM 1923 CD GLU A 123 -0.723 1.055 -17.505 1.00 64.02 C ATOM 1924 OE1 GLU A 123 -0.417 2.253 -17.364 1.00 61.13 O ATOM 1925 OE2 GLU A 123 -1.182 0.611 -18.591 1.00 42.22 O ATOM 0 H GLU A 123 0.443 0.253 -13.386 1.00 72.12 H new ATOM 0 HA GLU A 123 0.754 -2.117 -15.115 1.00 15.10 H new ATOM 0 HB2 GLU A 123 1.373 0.842 -15.609 1.00 63.24 H new ATOM 0 HB3 GLU A 123 1.508 -0.429 -16.807 1.00 63.24 H new ATOM 0 HG2 GLU A 123 -0.974 -0.865 -16.560 1.00 74.10 H new ATOM 0 HG3 GLU A 123 -1.072 0.491 -15.455 1.00 74.10 H new ATOM 1932 N SER A 124 3.289 -0.633 -13.592 1.00 75.44 N ATOM 1933 CA SER A 124 4.738 -0.829 -13.258 1.00 32.31 C ATOM 1934 C SER A 124 4.960 -1.943 -12.200 1.00 32.21 C ATOM 1935 O SER A 124 5.929 -2.701 -12.277 1.00 5.51 O ATOM 1936 CB SER A 124 5.361 0.491 -12.744 1.00 22.31 C ATOM 1937 OG SER A 124 6.732 0.331 -12.389 1.00 33.31 O ATOM 0 H SER A 124 2.831 0.110 -13.065 1.00 75.44 H new ATOM 0 HA SER A 124 5.228 -1.139 -14.181 1.00 32.31 H new ATOM 0 HB2 SER A 124 5.273 1.258 -13.514 1.00 22.31 H new ATOM 0 HB3 SER A 124 4.801 0.843 -11.878 1.00 22.31 H new ATOM 0 HG SER A 124 7.090 1.186 -12.071 1.00 33.31 H new ATOM 1943 N PHE A 125 4.046 -2.032 -11.218 1.00 4.41 N ATOM 1944 CA PHE A 125 4.140 -2.994 -10.074 1.00 15.42 C ATOM 1945 C PHE A 125 3.036 -4.079 -10.109 1.00 20.32 C ATOM 1946 O PHE A 125 2.945 -4.877 -9.179 1.00 61.12 O ATOM 1947 CB PHE A 125 4.091 -2.215 -8.727 1.00 74.31 C ATOM 1948 CG PHE A 125 5.140 -1.107 -8.653 1.00 72.01 C ATOM 1949 CD1 PHE A 125 6.486 -1.414 -8.447 1.00 22.11 C ATOM 1950 CD2 PHE A 125 4.788 0.231 -8.832 1.00 40.40 C ATOM 1951 CE1 PHE A 125 7.442 -0.418 -8.431 1.00 40.05 C ATOM 1952 CE2 PHE A 125 5.745 1.227 -8.808 1.00 31.33 C ATOM 1953 CZ PHE A 125 7.072 0.903 -8.606 1.00 3.42 C ATOM 0 H PHE A 125 3.214 -1.443 -11.183 1.00 4.41 H new ATOM 0 HA PHE A 125 5.093 -3.516 -10.167 1.00 15.42 H new ATOM 0 HB2 PHE A 125 3.099 -1.781 -8.598 1.00 74.31 H new ATOM 0 HB3 PHE A 125 4.244 -2.911 -7.903 1.00 74.31 H new ATOM 0 HD1 PHE A 125 6.783 -2.442 -8.299 1.00 22.11 H new ATOM 0 HD2 PHE A 125 3.752 0.492 -8.992 1.00 40.40 H new ATOM 0 HE1 PHE A 125 8.481 -0.671 -8.281 1.00 40.05 H new ATOM 0 HE2 PHE A 125 5.456 2.258 -8.947 1.00 31.33 H new ATOM 0 HZ PHE A 125 7.821 1.681 -8.585 1.00 3.42 H new ATOM 1963 N GLY A 126 2.189 -4.069 -11.165 1.00 5.22 N ATOM 1964 CA GLY A 126 1.182 -5.129 -11.401 1.00 31.41 C ATOM 1965 C GLY A 126 0.042 -5.217 -10.364 1.00 72.33 C ATOM 1966 O GLY A 126 0.100 -4.606 -9.289 1.00 70.52 O ATOM 0 H GLY A 126 2.184 -3.333 -11.871 1.00 5.22 H new ATOM 0 HA2 GLY A 126 0.741 -4.972 -12.385 1.00 31.41 H new ATOM 0 HA3 GLY A 126 1.695 -6.090 -11.431 1.00 31.41 H new ATOM 1970 N ASP A 127 -1.033 -5.955 -10.715 1.00 60.31 N ATOM 1971 CA ASP A 127 -2.124 -6.297 -9.767 1.00 31.35 C ATOM 1972 C ASP A 127 -1.816 -7.609 -8.992 1.00 1.43 C ATOM 1973 O ASP A 127 -2.284 -7.806 -7.867 1.00 32.44 O ATOM 1974 CB ASP A 127 -3.491 -6.387 -10.505 1.00 23.43 C ATOM 1975 CG ASP A 127 -3.563 -7.522 -11.538 1.00 4.20 C ATOM 1976 OD1 ASP A 127 -2.810 -7.472 -12.534 1.00 25.20 O ATOM 1977 OD2 ASP A 127 -4.353 -8.471 -11.352 1.00 34.45 O ATOM 0 H ASP A 127 -1.172 -6.329 -11.654 1.00 60.31 H new ATOM 0 HA ASP A 127 -2.189 -5.494 -9.033 1.00 31.35 H new ATOM 0 HB2 ASP A 127 -4.282 -6.527 -9.769 1.00 23.43 H new ATOM 0 HB3 ASP A 127 -3.686 -5.439 -11.006 1.00 23.43 H new ATOM 1982 N ASN A 128 -1.038 -8.513 -9.614 1.00 71.14 N ATOM 1983 CA ASN A 128 -0.614 -9.795 -8.988 1.00 13.53 C ATOM 1984 C ASN A 128 0.867 -9.768 -8.553 1.00 54.33 C ATOM 1985 O ASN A 128 1.348 -10.718 -7.945 1.00 50.35 O ATOM 1986 CB ASN A 128 -0.858 -10.969 -9.968 1.00 0.14 C ATOM 1987 CG ASN A 128 -2.327 -11.134 -10.379 1.00 1.10 C ATOM 1988 OD1 ASN A 128 -2.627 -11.444 -11.526 1.00 34.23 O ATOM 1989 ND2 ASN A 128 -3.254 -10.981 -9.442 1.00 73.33 N ATOM 0 H ASN A 128 -0.683 -8.384 -10.561 1.00 71.14 H new ATOM 0 HA ASN A 128 -1.216 -9.936 -8.090 1.00 13.53 H new ATOM 0 HB2 ASN A 128 -0.255 -10.815 -10.863 1.00 0.14 H new ATOM 0 HB3 ASN A 128 -0.513 -11.894 -9.506 1.00 0.14 H new ATOM 0 HD21 ASN A 128 -4.238 -11.122 -9.670 1.00 73.33 H new ATOM 0 HD22 ASN A 128 -2.982 -10.723 -8.493 1.00 73.33 H new ATOM 1996 N VAL A 129 1.570 -8.669 -8.852 1.00 41.54 N ATOM 1997 CA VAL A 129 3.001 -8.497 -8.504 1.00 4.51 C ATOM 1998 C VAL A 129 3.129 -7.616 -7.237 1.00 60.02 C ATOM 1999 O VAL A 129 2.340 -6.683 -7.041 1.00 13.32 O ATOM 2000 CB VAL A 129 3.819 -7.864 -9.694 1.00 23.02 C ATOM 2001 CG1 VAL A 129 5.345 -7.834 -9.401 1.00 12.34 C ATOM 2002 CG2 VAL A 129 3.520 -8.586 -11.026 1.00 2.02 C ATOM 0 H VAL A 129 1.170 -7.869 -9.342 1.00 41.54 H new ATOM 0 HA VAL A 129 3.421 -9.483 -8.306 1.00 4.51 H new ATOM 0 HB VAL A 129 3.491 -6.829 -9.792 1.00 23.02 H new ATOM 0 HG11 VAL A 129 5.869 -7.390 -10.247 1.00 12.34 H new ATOM 0 HG12 VAL A 129 5.532 -7.240 -8.506 1.00 12.34 H new ATOM 0 HG13 VAL A 129 5.705 -8.851 -9.244 1.00 12.34 H new ATOM 0 HG21 VAL A 129 4.099 -8.126 -11.827 1.00 2.02 H new ATOM 0 HG22 VAL A 129 3.792 -9.638 -10.939 1.00 2.02 H new ATOM 0 HG23 VAL A 129 2.457 -8.504 -11.254 1.00 2.02 H new ATOM 2012 N VAL A 130 4.093 -7.952 -6.362 1.00 11.53 N ATOM 2013 CA VAL A 130 4.375 -7.191 -5.131 1.00 5.43 C ATOM 2014 C VAL A 130 5.204 -5.921 -5.476 1.00 63.04 C ATOM 2015 O VAL A 130 6.221 -6.029 -6.187 1.00 33.23 O ATOM 2016 CB VAL A 130 5.178 -8.075 -4.087 1.00 62.23 C ATOM 2017 CG1 VAL A 130 5.445 -7.314 -2.757 1.00 70.22 C ATOM 2018 CG2 VAL A 130 4.452 -9.415 -3.817 1.00 71.12 C ATOM 0 H VAL A 130 4.701 -8.761 -6.489 1.00 11.53 H new ATOM 0 HA VAL A 130 3.424 -6.903 -4.684 1.00 5.43 H new ATOM 0 HB VAL A 130 6.147 -8.293 -4.535 1.00 62.23 H new ATOM 0 HG11 VAL A 130 5.997 -7.959 -2.073 1.00 70.22 H new ATOM 0 HG12 VAL A 130 6.030 -6.417 -2.962 1.00 70.22 H new ATOM 0 HG13 VAL A 130 4.495 -7.032 -2.302 1.00 70.22 H new ATOM 0 HG21 VAL A 130 5.025 -10.001 -3.098 1.00 71.12 H new ATOM 0 HG22 VAL A 130 3.459 -9.216 -3.414 1.00 71.12 H new ATOM 0 HG23 VAL A 130 4.360 -9.973 -4.749 1.00 71.12 H new ATOM 2028 N PRO A 131 4.786 -4.700 -4.995 1.00 45.42 N ATOM 2029 CA PRO A 131 5.617 -3.476 -5.109 1.00 51.03 C ATOM 2030 C PRO A 131 6.938 -3.609 -4.311 1.00 71.14 C ATOM 2031 O PRO A 131 7.002 -4.324 -3.304 1.00 73.42 O ATOM 2032 CB PRO A 131 4.711 -2.362 -4.523 1.00 73.33 C ATOM 2033 CG PRO A 131 3.750 -3.093 -3.633 1.00 23.32 C ATOM 2034 CD PRO A 131 3.482 -4.406 -4.336 1.00 14.33 C ATOM 0 HA PRO A 131 5.925 -3.272 -6.135 1.00 51.03 H new ATOM 0 HB2 PRO A 131 5.293 -1.630 -3.963 1.00 73.33 H new ATOM 0 HB3 PRO A 131 4.189 -1.819 -5.311 1.00 73.33 H new ATOM 0 HG2 PRO A 131 4.176 -3.256 -2.643 1.00 23.32 H new ATOM 0 HG3 PRO A 131 2.830 -2.525 -3.495 1.00 23.32 H new ATOM 0 HD2 PRO A 131 3.198 -5.190 -3.634 1.00 14.33 H new ATOM 0 HD3 PRO A 131 2.673 -4.319 -5.061 1.00 14.33 H new ATOM 2042 N TYR A 132 7.984 -2.927 -4.778 1.00 40.13 N ATOM 2043 CA TYR A 132 9.324 -2.986 -4.161 1.00 40.41 C ATOM 2044 C TYR A 132 9.971 -1.586 -4.134 1.00 25.10 C ATOM 2045 O TYR A 132 9.736 -0.768 -5.029 1.00 22.11 O ATOM 2046 CB TYR A 132 10.218 -4.007 -4.933 1.00 62.22 C ATOM 2047 CG TYR A 132 10.375 -3.716 -6.446 1.00 3.44 C ATOM 2048 CD1 TYR A 132 9.390 -4.109 -7.362 1.00 42.41 C ATOM 2049 CD2 TYR A 132 11.496 -3.043 -6.945 1.00 22.32 C ATOM 2050 CE1 TYR A 132 9.520 -3.845 -8.711 1.00 42.35 C ATOM 2051 CE2 TYR A 132 11.628 -2.780 -8.294 1.00 43.21 C ATOM 2052 CZ TYR A 132 10.643 -3.182 -9.172 1.00 34.21 C ATOM 2053 OH TYR A 132 10.785 -2.924 -10.516 1.00 32.11 O ATOM 0 H TYR A 132 7.934 -2.317 -5.594 1.00 40.13 H new ATOM 0 HA TYR A 132 9.227 -3.324 -3.129 1.00 40.41 H new ATOM 0 HB2 TYR A 132 11.207 -4.022 -4.475 1.00 62.22 H new ATOM 0 HB3 TYR A 132 9.795 -5.004 -4.811 1.00 62.22 H new ATOM 0 HD1 TYR A 132 8.512 -4.628 -7.006 1.00 42.41 H new ATOM 0 HD2 TYR A 132 12.271 -2.724 -6.264 1.00 22.32 H new ATOM 0 HE1 TYR A 132 8.750 -4.154 -9.402 1.00 42.35 H new ATOM 0 HE2 TYR A 132 12.501 -2.261 -8.661 1.00 43.21 H new ATOM 0 HH TYR A 132 11.629 -2.450 -10.671 1.00 32.11 H new ATOM 2063 N PHE A 133 10.771 -1.319 -3.094 1.00 13.25 N ATOM 2064 CA PHE A 133 11.597 -0.101 -3.000 1.00 1.01 C ATOM 2065 C PHE A 133 12.954 -0.342 -3.696 1.00 61.20 C ATOM 2066 O PHE A 133 13.563 -1.403 -3.527 1.00 64.24 O ATOM 2067 CB PHE A 133 11.794 0.299 -1.509 1.00 14.00 C ATOM 2068 CG PHE A 133 12.511 1.634 -1.312 1.00 72.50 C ATOM 2069 CD1 PHE A 133 11.907 2.823 -1.711 1.00 33.14 C ATOM 2070 CD2 PHE A 133 13.783 1.704 -0.744 1.00 35.12 C ATOM 2071 CE1 PHE A 133 12.549 4.037 -1.549 1.00 42.32 C ATOM 2072 CE2 PHE A 133 14.423 2.919 -0.586 1.00 52.14 C ATOM 2073 CZ PHE A 133 13.805 4.085 -0.986 1.00 4.35 C ATOM 0 H PHE A 133 10.866 -1.940 -2.291 1.00 13.25 H new ATOM 0 HA PHE A 133 11.091 0.723 -3.504 1.00 1.01 H new ATOM 0 HB2 PHE A 133 10.819 0.347 -1.025 1.00 14.00 H new ATOM 0 HB3 PHE A 133 12.361 -0.484 -1.006 1.00 14.00 H new ATOM 0 HD1 PHE A 133 10.922 2.797 -2.154 1.00 33.14 H new ATOM 0 HD2 PHE A 133 14.274 0.797 -0.423 1.00 35.12 H new ATOM 0 HE1 PHE A 133 12.065 4.949 -1.865 1.00 42.32 H new ATOM 0 HE2 PHE A 133 15.410 2.955 -0.148 1.00 52.14 H new ATOM 0 HZ PHE A 133 14.305 5.034 -0.858 1.00 4.35 H new ATOM 2083 N ARG A 134 13.416 0.634 -4.492 1.00 71.04 N ATOM 2084 CA ARG A 134 14.699 0.535 -5.221 1.00 52.44 C ATOM 2085 C ARG A 134 15.854 1.120 -4.374 1.00 15.01 C ATOM 2086 O ARG A 134 16.045 2.339 -4.321 1.00 4.04 O ATOM 2087 CB ARG A 134 14.567 1.242 -6.603 1.00 3.14 C ATOM 2088 CG ARG A 134 13.520 0.581 -7.535 1.00 73.10 C ATOM 2089 CD ARG A 134 13.288 1.357 -8.847 1.00 55.43 C ATOM 2090 NE ARG A 134 14.503 1.443 -9.675 1.00 22.53 N ATOM 2091 CZ ARG A 134 14.603 2.073 -10.825 1.00 64.01 C ATOM 2092 NH1 ARG A 134 13.591 2.702 -11.348 1.00 71.33 N ATOM 2093 NH2 ARG A 134 15.729 2.068 -11.450 1.00 42.20 N ATOM 0 H ARG A 134 12.918 1.510 -4.651 1.00 71.04 H new ATOM 0 HA ARG A 134 14.939 -0.513 -5.400 1.00 52.44 H new ATOM 0 HB2 ARG A 134 14.294 2.285 -6.444 1.00 3.14 H new ATOM 0 HB3 ARG A 134 15.538 1.238 -7.099 1.00 3.14 H new ATOM 0 HG2 ARG A 134 13.846 -0.432 -7.774 1.00 73.10 H new ATOM 0 HG3 ARG A 134 12.574 0.494 -7.001 1.00 73.10 H new ATOM 0 HD2 ARG A 134 12.497 0.870 -9.418 1.00 55.43 H new ATOM 0 HD3 ARG A 134 12.940 2.363 -8.613 1.00 55.43 H new ATOM 0 HE ARG A 134 15.339 0.974 -9.326 1.00 22.53 H new ATOM 0 HH11 ARG A 134 12.693 2.714 -10.864 1.00 71.33 H new ATOM 0 HH12 ARG A 134 13.696 3.183 -12.241 1.00 71.33 H new ATOM 0 HH21 ARG A 134 16.531 1.579 -11.052 1.00 42.20 H new ATOM 0 HH22 ARG A 134 15.819 2.553 -12.343 1.00 42.20 H new ATOM 2107 N GLY A 135 16.584 0.226 -3.670 1.00 63.30 N ATOM 2108 CA GLY A 135 17.743 0.613 -2.843 1.00 33.01 C ATOM 2109 C GLY A 135 17.454 0.563 -1.335 1.00 32.20 C ATOM 2110 O GLY A 135 17.318 1.605 -0.693 1.00 31.34 O ATOM 0 H GLY A 135 16.387 -0.775 -3.660 1.00 63.30 H new ATOM 0 HA2 GLY A 135 18.579 -0.049 -3.068 1.00 33.01 H new ATOM 0 HA3 GLY A 135 18.054 1.622 -3.114 1.00 33.01 H new ATOM 2114 N LEU A 136 17.357 -0.660 -0.768 1.00 31.03 N ATOM 2115 CA LEU A 136 17.116 -0.878 0.690 1.00 52.11 C ATOM 2116 C LEU A 136 18.095 -1.931 1.278 1.00 50.13 C ATOM 2117 O LEU A 136 18.741 -2.674 0.534 1.00 64.23 O ATOM 2118 CB LEU A 136 15.600 -1.227 0.991 1.00 44.10 C ATOM 2119 CG LEU A 136 14.931 -2.557 0.443 1.00 33.10 C ATOM 2120 CD1 LEU A 136 15.133 -2.758 -1.064 1.00 61.41 C ATOM 2121 CD2 LEU A 136 15.336 -3.813 1.245 1.00 22.22 C ATOM 0 H LEU A 136 17.442 -1.526 -1.300 1.00 31.03 H new ATOM 0 HA LEU A 136 17.323 0.063 1.200 1.00 52.11 H new ATOM 0 HB2 LEU A 136 15.487 -1.239 2.075 1.00 44.10 H new ATOM 0 HB3 LEU A 136 15.003 -0.395 0.617 1.00 44.10 H new ATOM 0 HG LEU A 136 13.861 -2.418 0.598 1.00 33.10 H new ATOM 0 HD11 LEU A 136 14.652 -3.685 -1.375 1.00 61.41 H new ATOM 0 HD12 LEU A 136 14.692 -1.921 -1.605 1.00 61.41 H new ATOM 0 HD13 LEU A 136 16.199 -2.811 -1.284 1.00 61.41 H new ATOM 0 HD21 LEU A 136 14.846 -4.689 0.821 1.00 22.22 H new ATOM 0 HD22 LEU A 136 16.417 -3.943 1.196 1.00 22.22 H new ATOM 0 HD23 LEU A 136 15.031 -3.695 2.285 1.00 22.22 H new ATOM 2133 N GLU A 137 18.199 -1.983 2.624 1.00 23.25 N ATOM 2134 CA GLU A 137 19.078 -2.949 3.340 1.00 1.10 C ATOM 2135 C GLU A 137 18.373 -4.316 3.516 1.00 42.31 C ATOM 2136 O GLU A 137 17.220 -4.385 3.973 1.00 12.03 O ATOM 2137 CB GLU A 137 19.517 -2.401 4.733 1.00 64.14 C ATOM 2138 CG GLU A 137 20.523 -1.224 4.706 1.00 43.35 C ATOM 2139 CD GLU A 137 19.976 0.055 4.046 1.00 45.22 C ATOM 2140 OE1 GLU A 137 19.069 0.693 4.628 1.00 43.11 O ATOM 2141 OE2 GLU A 137 20.434 0.423 2.939 1.00 63.21 O ATOM 0 H GLU A 137 17.681 -1.363 3.247 1.00 23.25 H new ATOM 0 HA GLU A 137 19.969 -3.085 2.727 1.00 1.10 H new ATOM 0 HB2 GLU A 137 18.626 -2.081 5.274 1.00 64.14 H new ATOM 0 HB3 GLU A 137 19.959 -3.219 5.302 1.00 64.14 H new ATOM 0 HG2 GLU A 137 20.823 -0.993 5.728 1.00 43.35 H new ATOM 0 HG3 GLU A 137 21.421 -1.539 4.174 1.00 43.35 H new ATOM 2148 N HIS A 138 19.088 -5.394 3.147 1.00 5.11 N ATOM 2149 CA HIS A 138 18.584 -6.782 3.228 1.00 21.14 C ATOM 2150 C HIS A 138 19.762 -7.796 3.285 1.00 73.35 C ATOM 2151 O HIS A 138 20.439 -8.037 2.281 1.00 33.23 O ATOM 2152 CB HIS A 138 17.610 -7.074 2.036 1.00 33.35 C ATOM 2153 CG HIS A 138 18.175 -6.764 0.666 1.00 42.43 C ATOM 2154 ND1 HIS A 138 18.347 -5.478 0.207 1.00 62.52 N ATOM 2155 CD2 HIS A 138 18.616 -7.572 -0.333 1.00 11.44 C ATOM 2156 CE1 HIS A 138 18.863 -5.505 -0.999 1.00 11.23 C ATOM 2157 NE2 HIS A 138 19.038 -6.758 -1.354 1.00 64.03 N ATOM 0 H HIS A 138 20.038 -5.329 2.782 1.00 5.11 H new ATOM 0 HA HIS A 138 18.019 -6.901 4.152 1.00 21.14 H new ATOM 0 HB2 HIS A 138 17.325 -8.126 2.067 1.00 33.35 H new ATOM 0 HB3 HIS A 138 16.699 -6.493 2.178 1.00 33.35 H new ATOM 0 HD2 HIS A 138 18.632 -8.652 -0.325 1.00 11.44 H new ATOM 0 HE1 HIS A 138 19.104 -4.641 -1.600 1.00 11.23 H new ATOM 0 HE2 HIS A 138 19.424 -7.074 -2.243 1.00 64.03 H new ATOM 2166 N HIS A 139 20.037 -8.343 4.490 1.00 44.11 N ATOM 2167 CA HIS A 139 21.020 -9.442 4.677 1.00 53.12 C ATOM 2168 C HIS A 139 20.281 -10.798 4.863 1.00 20.24 C ATOM 2169 O HIS A 139 19.918 -11.439 3.869 1.00 4.40 O ATOM 2170 CB HIS A 139 21.980 -9.143 5.868 1.00 55.53 C ATOM 2171 CG HIS A 139 22.898 -7.965 5.660 1.00 12.53 C ATOM 2172 ND1 HIS A 139 24.240 -8.101 5.359 1.00 34.13 N ATOM 2173 CD2 HIS A 139 22.675 -6.626 5.740 1.00 11.41 C ATOM 2174 CE1 HIS A 139 24.797 -6.913 5.266 1.00 1.31 C ATOM 2175 NE2 HIS A 139 23.872 -6.002 5.491 1.00 24.22 N ATOM 0 H HIS A 139 19.590 -8.041 5.356 1.00 44.11 H new ATOM 0 HA HIS A 139 21.636 -9.512 3.780 1.00 53.12 H new ATOM 0 HB2 HIS A 139 21.383 -8.967 6.762 1.00 55.53 H new ATOM 0 HB3 HIS A 139 22.586 -10.029 6.059 1.00 55.53 H new ATOM 0 HD2 HIS A 139 21.733 -6.144 5.958 1.00 11.41 H new ATOM 0 HE1 HIS A 139 25.836 -6.718 5.043 1.00 1.31 H new ATOM 0 HE2 HIS A 139 24.022 -4.993 5.482 1.00 24.22 H new ATOM 2184 N HIS A 140 20.031 -11.217 6.130 1.00 31.22 N ATOM 2185 CA HIS A 140 19.326 -12.483 6.457 1.00 63.33 C ATOM 2186 C HIS A 140 18.525 -12.324 7.769 1.00 33.21 C ATOM 2187 O HIS A 140 19.099 -11.991 8.808 1.00 25.22 O ATOM 2188 CB HIS A 140 20.324 -13.666 6.628 1.00 5.52 C ATOM 2189 CG HIS A 140 21.113 -14.037 5.395 1.00 63.33 C ATOM 2190 ND1 HIS A 140 22.471 -13.816 5.271 1.00 41.15 N ATOM 2191 CD2 HIS A 140 20.735 -14.641 4.239 1.00 40.22 C ATOM 2192 CE1 HIS A 140 22.886 -14.260 4.108 1.00 44.54 C ATOM 2193 NE2 HIS A 140 21.859 -14.767 3.466 1.00 51.01 N ATOM 0 H HIS A 140 20.313 -10.686 6.954 1.00 31.22 H new ATOM 0 HA HIS A 140 18.655 -12.703 5.627 1.00 63.33 H new ATOM 0 HB2 HIS A 140 21.025 -13.414 7.424 1.00 5.52 H new ATOM 0 HB3 HIS A 140 19.767 -14.543 6.959 1.00 5.52 H new ATOM 0 HD2 HIS A 140 19.737 -14.961 3.978 1.00 40.22 H new ATOM 0 HE1 HIS A 140 23.901 -14.216 3.741 1.00 44.54 H new ATOM 0 HE2 HIS A 140 21.893 -15.188 2.538 1.00 51.01 H new ATOM 2202 N HIS A 141 17.204 -12.552 7.716 1.00 23.43 N ATOM 2203 CA HIS A 141 16.346 -12.649 8.924 1.00 11.05 C ATOM 2204 C HIS A 141 15.858 -14.105 9.110 1.00 74.43 C ATOM 2205 O HIS A 141 15.013 -14.588 8.350 1.00 61.51 O ATOM 2206 CB HIS A 141 15.136 -11.672 8.832 1.00 32.50 C ATOM 2207 CG HIS A 141 15.497 -10.214 8.977 1.00 72.35 C ATOM 2208 ND1 HIS A 141 15.480 -9.558 10.189 1.00 70.02 N ATOM 2209 CD2 HIS A 141 15.881 -9.286 8.062 1.00 4.01 C ATOM 2210 CE1 HIS A 141 15.834 -8.303 10.017 1.00 1.13 C ATOM 2211 NE2 HIS A 141 16.082 -8.108 8.738 1.00 52.23 N ATOM 0 H HIS A 141 16.694 -12.675 6.841 1.00 23.43 H new ATOM 0 HA HIS A 141 16.939 -12.362 9.792 1.00 11.05 H new ATOM 0 HB2 HIS A 141 14.640 -11.817 7.872 1.00 32.50 H new ATOM 0 HB3 HIS A 141 14.414 -11.933 9.606 1.00 32.50 H new ATOM 0 HD2 HIS A 141 16.005 -9.445 7.001 1.00 4.01 H new ATOM 0 HE1 HIS A 141 15.909 -7.557 10.794 1.00 1.13 H new ATOM 0 HE2 HIS A 141 16.375 -7.226 8.318 1.00 52.23 H new ATOM 2220 N HIS A 142 16.432 -14.811 10.108 1.00 21.43 N ATOM 2221 CA HIS A 142 15.947 -16.150 10.536 1.00 31.23 C ATOM 2222 C HIS A 142 14.612 -16.021 11.316 1.00 65.21 C ATOM 2223 O HIS A 142 13.829 -16.973 11.398 1.00 64.20 O ATOM 2224 CB HIS A 142 17.013 -16.866 11.413 1.00 2.21 C ATOM 2225 CG HIS A 142 18.325 -17.128 10.713 1.00 74.00 C ATOM 2226 ND1 HIS A 142 18.522 -18.192 9.854 1.00 13.25 N ATOM 2227 CD2 HIS A 142 19.511 -16.471 10.757 1.00 41.23 C ATOM 2228 CE1 HIS A 142 19.760 -18.176 9.407 1.00 41.41 C ATOM 2229 NE2 HIS A 142 20.378 -17.144 9.937 1.00 53.33 N ATOM 0 H HIS A 142 17.237 -14.477 10.638 1.00 21.43 H new ATOM 0 HA HIS A 142 15.774 -16.750 9.643 1.00 31.23 H new ATOM 0 HB2 HIS A 142 17.203 -16.260 12.299 1.00 2.21 H new ATOM 0 HB3 HIS A 142 16.603 -17.815 11.758 1.00 2.21 H new ATOM 0 HD2 HIS A 142 19.731 -15.583 11.331 1.00 41.23 H new ATOM 0 HE1 HIS A 142 20.194 -18.889 8.722 1.00 41.41 H new ATOM 0 HE2 HIS A 142 21.349 -16.885 9.765 1.00 53.33 H new ATOM 2238 N HIS A 143 14.394 -14.826 11.902 1.00 32.11 N ATOM 2239 CA HIS A 143 13.145 -14.445 12.595 1.00 55.44 C ATOM 2240 C HIS A 143 12.892 -12.925 12.443 1.00 73.42 C ATOM 2241 O HIS A 143 13.807 -12.141 12.146 1.00 62.23 O ATOM 2242 CB HIS A 143 13.218 -14.851 14.091 1.00 24.11 C ATOM 2243 CG HIS A 143 11.990 -14.510 14.898 1.00 72.22 C ATOM 2244 ND1 HIS A 143 11.938 -13.450 15.779 1.00 52.42 N ATOM 2245 CD2 HIS A 143 10.770 -15.096 14.955 1.00 61.51 C ATOM 2246 CE1 HIS A 143 10.753 -13.401 16.342 1.00 61.01 C ATOM 2247 NE2 HIS A 143 10.022 -14.386 15.861 1.00 33.40 N ATOM 0 H HIS A 143 15.094 -14.084 11.907 1.00 32.11 H new ATOM 0 HA HIS A 143 12.309 -14.976 12.139 1.00 55.44 H new ATOM 0 HB2 HIS A 143 13.390 -15.925 14.154 1.00 24.11 H new ATOM 0 HB3 HIS A 143 14.081 -14.363 14.544 1.00 24.11 H new ATOM 0 HD2 HIS A 143 10.447 -15.960 14.393 1.00 61.51 H new ATOM 0 HE1 HIS A 143 10.432 -12.676 17.075 1.00 61.01 H new ATOM 0 HE2 HIS A 143 9.056 -14.588 16.120 1.00 33.40 H new TER 2256 HIS A 143