USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 823 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 18 ASN : amide:sc= -1.76 K(o=-4.2,f=-8.5!) USER MOD Set 1.2: A 98 MET CE :methyl -136:sc= -2.42 (180deg=-2.04!) USER MOD Set 2.1: A 56 THR OG1 : rot 163:sc= -1.2 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -1.06 F(o=-4.1,f=-2.3) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -110:sc= -0.538 USER MOD Single : A 17 SER OG : rot 180:sc=-0.00192 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.0011) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.417 K(o=-0.42,f=-2.6!) USER MOD Single : A 45 SER OG : rot 80:sc= 0.396 USER MOD Single : A 46 THR OG1 : rot 30:sc= 1.2 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0249 F(o=-0.78,f=-0.025) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= 0.0284 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A 88 LYS NZ :NH3+ -127:sc= -1.58 (180deg=-7.45!) USER MOD Single : A 97 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.3) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 4.811 3.132 -4.307 1.00 51.04 N ATOM 23 CA LEU A 4 5.623 2.976 -5.510 1.00 33.41 C ATOM 24 C LEU A 4 6.313 1.616 -5.529 1.00 62.01 C ATOM 25 O LEU A 4 7.452 1.491 -5.977 1.00 72.14 O ATOM 26 CB LEU A 4 6.666 4.092 -5.592 1.00 55.55 C ATOM 27 CG LEU A 4 6.914 4.676 -6.984 1.00 74.31 C ATOM 28 CD1 LEU A 4 8.060 5.676 -6.945 1.00 42.31 C ATOM 29 CD2 LEU A 4 7.205 3.568 -7.985 1.00 23.13 C ATOM 0 HA LEU A 4 4.963 3.039 -6.375 1.00 33.41 H new ATOM 0 HB2 LEU A 4 6.357 4.901 -4.930 1.00 55.55 H new ATOM 0 HB3 LEU A 4 7.611 3.708 -5.207 1.00 55.55 H new ATOM 0 HG LEU A 4 6.012 5.198 -7.304 1.00 74.31 H new ATOM 0 HD11 LEU A 4 8.223 6.082 -7.943 1.00 42.31 H new ATOM 0 HD12 LEU A 4 7.812 6.487 -6.260 1.00 42.31 H new ATOM 0 HD13 LEU A 4 8.967 5.177 -6.604 1.00 42.31 H new ATOM 0 HD21 LEU A 4 7.379 4.003 -8.969 1.00 23.13 H new ATOM 0 HD22 LEU A 4 8.091 3.017 -7.670 1.00 23.13 H new ATOM 0 HD23 LEU A 4 6.354 2.889 -8.034 1.00 23.13 H new ATOM 41 N LYS A 5 5.613 0.596 -5.041 1.00 62.55 N ATOM 42 CA LYS A 5 6.155 -0.757 -5.005 1.00 62.14 C ATOM 43 C LYS A 5 6.684 -1.168 -6.375 1.00 64.50 C ATOM 44 O LYS A 5 5.994 -1.030 -7.384 1.00 4.42 O ATOM 45 CB LYS A 5 5.083 -1.745 -4.542 1.00 43.44 C ATOM 46 CG LYS A 5 5.263 -2.211 -3.108 1.00 0.44 C ATOM 47 CD LYS A 5 4.771 -1.169 -2.118 1.00 31.10 C ATOM 48 CE LYS A 5 4.750 -1.715 -0.699 1.00 23.14 C ATOM 49 NZ LYS A 5 6.054 -1.515 -0.008 1.00 34.22 N ATOM 0 H LYS A 5 4.669 0.682 -4.665 1.00 62.55 H new ATOM 0 HA LYS A 5 6.983 -0.771 -4.297 1.00 62.14 H new ATOM 0 HB2 LYS A 5 4.103 -1.278 -4.643 1.00 43.44 H new ATOM 0 HB3 LYS A 5 5.092 -2.613 -5.201 1.00 43.44 H new ATOM 0 HG2 LYS A 5 4.719 -3.144 -2.956 1.00 0.44 H new ATOM 0 HG3 LYS A 5 6.316 -2.422 -2.922 1.00 0.44 H new ATOM 0 HD2 LYS A 5 5.416 -0.291 -2.162 1.00 31.10 H new ATOM 0 HD3 LYS A 5 3.769 -0.843 -2.399 1.00 31.10 H new ATOM 0 HE2 LYS A 5 3.960 -1.223 -0.132 1.00 23.14 H new ATOM 0 HE3 LYS A 5 4.511 -2.778 -0.723 1.00 23.14 H new ATOM 0 HZ1 LYS A 5 5.999 -1.901 0.956 1.00 34.22 H new ATOM 0 HZ2 LYS A 5 6.805 -2.006 -0.535 1.00 34.22 H new ATOM 0 HZ3 LYS A 5 6.271 -0.499 0.037 1.00 34.22 H new ATOM 63 N SER A 6 7.912 -1.674 -6.402 1.00 52.53 N ATOM 64 CA SER A 6 8.535 -2.103 -7.650 1.00 1.35 C ATOM 65 C SER A 6 7.652 -3.112 -8.379 1.00 13.44 C ATOM 66 O SER A 6 7.710 -3.234 -9.602 1.00 12.33 O ATOM 67 CB SER A 6 9.908 -2.718 -7.374 1.00 70.24 C ATOM 68 OG SER A 6 10.850 -2.324 -8.357 1.00 4.31 O ATOM 0 H SER A 6 8.496 -1.797 -5.575 1.00 52.53 H new ATOM 0 HA SER A 6 8.658 -1.226 -8.286 1.00 1.35 H new ATOM 0 HB2 SER A 6 10.256 -2.410 -6.388 1.00 70.24 H new ATOM 0 HB3 SER A 6 9.827 -3.805 -7.359 1.00 70.24 H new ATOM 0 HG SER A 6 11.720 -2.729 -8.157 1.00 4.31 H new ATOM 74 N ARG A 7 6.835 -3.833 -7.617 1.00 61.22 N ATOM 75 CA ARG A 7 5.940 -4.831 -8.189 1.00 14.22 C ATOM 76 C ARG A 7 4.749 -4.167 -8.872 1.00 24.22 C ATOM 77 O ARG A 7 4.603 -4.234 -10.092 1.00 64.31 O ATOM 78 CB ARG A 7 5.449 -5.789 -7.102 1.00 32.14 C ATOM 79 CG ARG A 7 5.920 -7.221 -7.294 1.00 14.41 C ATOM 80 CD ARG A 7 4.916 -8.218 -6.737 1.00 41.20 C ATOM 81 NE ARG A 7 5.487 -9.033 -5.669 1.00 2.12 N ATOM 82 CZ ARG A 7 5.664 -8.596 -4.426 1.00 3.31 C ATOM 83 NH1 ARG A 7 5.315 -7.359 -4.099 1.00 14.24 N ATOM 84 NH2 ARG A 7 6.190 -9.398 -3.509 1.00 23.33 N ATOM 0 H ARG A 7 6.775 -3.744 -6.603 1.00 61.22 H new ATOM 0 HA ARG A 7 6.497 -5.395 -8.937 1.00 14.22 H new ATOM 0 HB2 ARG A 7 5.791 -5.430 -6.131 1.00 32.14 H new ATOM 0 HB3 ARG A 7 4.359 -5.774 -7.081 1.00 32.14 H new ATOM 0 HG2 ARG A 7 6.076 -7.415 -8.355 1.00 14.41 H new ATOM 0 HG3 ARG A 7 6.882 -7.358 -6.800 1.00 14.41 H new ATOM 0 HD2 ARG A 7 4.046 -7.682 -6.358 1.00 41.20 H new ATOM 0 HD3 ARG A 7 4.566 -8.867 -7.540 1.00 41.20 H new ATOM 0 HE ARG A 7 5.765 -9.990 -5.888 1.00 2.12 H new ATOM 0 HH11 ARG A 7 4.910 -6.741 -4.802 1.00 14.24 H new ATOM 0 HH12 ARG A 7 5.452 -7.026 -3.145 1.00 14.24 H new ATOM 0 HH21 ARG A 7 6.459 -10.350 -3.758 1.00 23.33 H new ATOM 0 HH22 ARG A 7 6.326 -9.062 -2.555 1.00 23.33 H new ATOM 98 N ASP A 8 3.898 -3.527 -8.075 1.00 52.55 N ATOM 99 CA ASP A 8 2.720 -2.850 -8.603 1.00 63.34 C ATOM 100 C ASP A 8 3.113 -1.804 -9.641 1.00 64.12 C ATOM 101 O ASP A 8 2.312 -1.437 -10.502 1.00 34.41 O ATOM 102 CB ASP A 8 1.934 -2.190 -7.469 1.00 1.21 C ATOM 103 CG ASP A 8 1.087 -3.183 -6.698 1.00 32.54 C ATOM 104 OD1 ASP A 8 0.447 -2.773 -5.706 1.00 62.31 O ATOM 105 OD2 ASP A 8 1.064 -4.369 -7.085 1.00 42.23 O ATOM 0 H ASP A 8 4.003 -3.464 -7.062 1.00 52.55 H new ATOM 0 HA ASP A 8 2.089 -3.596 -9.086 1.00 63.34 H new ATOM 0 HB2 ASP A 8 2.629 -1.702 -6.786 1.00 1.21 H new ATOM 0 HB3 ASP A 8 1.292 -1.412 -7.881 1.00 1.21 H new ATOM 110 N TRP A 9 4.350 -1.326 -9.554 1.00 1.45 N ATOM 111 CA TRP A 9 4.849 -0.321 -10.486 1.00 41.30 C ATOM 112 C TRP A 9 5.114 -0.934 -11.857 1.00 32.55 C ATOM 113 O TRP A 9 4.461 -0.585 -12.841 1.00 71.13 O ATOM 114 CB TRP A 9 6.128 0.317 -9.942 1.00 41.31 C ATOM 115 CG TRP A 9 6.735 1.320 -10.877 1.00 24.55 C ATOM 116 CD1 TRP A 9 8.033 1.369 -11.295 1.00 65.44 C ATOM 117 CD2 TRP A 9 6.066 2.419 -11.505 1.00 22.32 C ATOM 118 NE1 TRP A 9 8.212 2.433 -12.146 1.00 64.24 N ATOM 119 CE2 TRP A 9 7.021 3.092 -12.292 1.00 20.11 C ATOM 120 CE3 TRP A 9 4.754 2.899 -11.481 1.00 21.10 C ATOM 121 CZ2 TRP A 9 6.702 4.219 -13.046 1.00 31.31 C ATOM 122 CZ3 TRP A 9 4.439 4.017 -12.230 1.00 41.23 C ATOM 123 CH2 TRP A 9 5.410 4.666 -13.004 1.00 60.43 C ATOM 0 H TRP A 9 5.025 -1.618 -8.848 1.00 1.45 H new ATOM 0 HA TRP A 9 4.085 0.449 -10.595 1.00 41.30 H new ATOM 0 HB2 TRP A 9 5.907 0.804 -8.992 1.00 41.31 H new ATOM 0 HB3 TRP A 9 6.858 -0.466 -9.737 1.00 41.31 H new ATOM 0 HD1 TRP A 9 8.806 0.674 -11.001 1.00 65.44 H new ATOM 0 HE1 TRP A 9 9.090 2.690 -12.596 1.00 64.24 H new ATOM 0 HE3 TRP A 9 3.999 2.405 -10.887 1.00 21.10 H new ATOM 0 HZ2 TRP A 9 7.448 4.722 -13.643 1.00 31.31 H new ATOM 0 HZ3 TRP A 9 3.428 4.397 -12.218 1.00 41.23 H new ATOM 0 HH2 TRP A 9 5.133 5.537 -13.579 1.00 60.43 H new ATOM 134 N LYS A 10 6.075 -1.849 -11.915 1.00 72.21 N ATOM 135 CA LYS A 10 6.426 -2.512 -13.165 1.00 63.12 C ATOM 136 C LYS A 10 5.251 -3.326 -13.698 1.00 63.33 C ATOM 137 O LYS A 10 5.130 -3.541 -14.904 1.00 54.30 O ATOM 138 CB LYS A 10 7.639 -3.423 -12.961 1.00 71.44 C ATOM 139 CG LYS A 10 8.953 -2.790 -13.387 1.00 3.03 C ATOM 140 CD LYS A 10 9.937 -3.833 -13.887 1.00 40.44 C ATOM 141 CE LYS A 10 10.829 -4.342 -12.765 1.00 12.30 C ATOM 142 NZ LYS A 10 10.939 -5.827 -12.773 1.00 44.30 N ATOM 0 H LYS A 10 6.625 -2.149 -11.110 1.00 72.21 H new ATOM 0 HA LYS A 10 6.675 -1.743 -13.896 1.00 63.12 H new ATOM 0 HB2 LYS A 10 7.703 -3.699 -11.908 1.00 71.44 H new ATOM 0 HB3 LYS A 10 7.490 -4.344 -13.524 1.00 71.44 H new ATOM 0 HG2 LYS A 10 8.767 -2.057 -14.172 1.00 3.03 H new ATOM 0 HG3 LYS A 10 9.388 -2.251 -12.545 1.00 3.03 H new ATOM 0 HD2 LYS A 10 9.391 -4.668 -14.327 1.00 40.44 H new ATOM 0 HD3 LYS A 10 10.553 -3.404 -14.677 1.00 40.44 H new ATOM 0 HE2 LYS A 10 11.822 -3.904 -12.864 1.00 12.30 H new ATOM 0 HE3 LYS A 10 10.429 -4.013 -11.806 1.00 12.30 H new ATOM 0 HZ1 LYS A 10 11.555 -6.134 -11.993 1.00 44.30 H new ATOM 0 HZ2 LYS A 10 9.995 -6.246 -12.653 1.00 44.30 H new ATOM 0 HZ3 LYS A 10 11.344 -6.140 -13.678 1.00 44.30 H new ATOM 156 N MET A 11 4.388 -3.774 -12.792 1.00 61.10 N ATOM 157 CA MET A 11 3.221 -4.561 -13.173 1.00 13.51 C ATOM 158 C MET A 11 2.154 -3.678 -13.812 1.00 32.13 C ATOM 159 O MET A 11 1.786 -3.872 -14.969 1.00 43.22 O ATOM 160 CB MET A 11 2.643 -5.279 -11.952 1.00 64.32 C ATOM 161 CG MET A 11 1.442 -6.154 -12.273 1.00 0.02 C ATOM 162 SD MET A 11 0.808 -7.022 -10.825 1.00 61.15 S ATOM 163 CE MET A 11 0.313 -8.580 -11.556 1.00 35.22 C ATOM 0 H MET A 11 4.475 -3.606 -11.790 1.00 61.10 H new ATOM 0 HA MET A 11 3.538 -5.303 -13.905 1.00 13.51 H new ATOM 0 HB2 MET A 11 3.421 -5.895 -11.501 1.00 64.32 H new ATOM 0 HB3 MET A 11 2.353 -4.537 -11.208 1.00 64.32 H new ATOM 0 HG2 MET A 11 0.650 -5.536 -12.697 1.00 0.02 H new ATOM 0 HG3 MET A 11 1.721 -6.882 -13.035 1.00 0.02 H new ATOM 0 HE1 MET A 11 -0.101 -9.229 -10.784 1.00 35.22 H new ATOM 0 HE2 MET A 11 -0.442 -8.399 -12.321 1.00 35.22 H new ATOM 0 HE3 MET A 11 1.180 -9.062 -12.008 1.00 35.22 H new ATOM 173 N ALA A 12 1.661 -2.708 -13.049 1.00 15.01 N ATOM 174 CA ALA A 12 0.637 -1.795 -13.540 1.00 61.33 C ATOM 175 C ALA A 12 1.075 -1.128 -14.840 1.00 41.14 C ATOM 176 O ALA A 12 0.293 -1.014 -15.784 1.00 62.33 O ATOM 177 CB ALA A 12 0.317 -0.743 -12.487 1.00 50.23 C ATOM 0 H ALA A 12 1.955 -2.534 -12.088 1.00 15.01 H new ATOM 0 HA ALA A 12 -0.264 -2.374 -13.744 1.00 61.33 H new ATOM 0 HB1 ALA A 12 -0.449 -0.068 -12.868 1.00 50.23 H new ATOM 0 HB2 ALA A 12 -0.047 -1.232 -11.583 1.00 50.23 H new ATOM 0 HB3 ALA A 12 1.218 -0.175 -12.255 1.00 50.23 H new ATOM 183 N ILE A 13 2.329 -0.689 -14.882 1.00 32.23 N ATOM 184 CA ILE A 13 2.870 -0.034 -16.066 1.00 4.35 C ATOM 185 C ILE A 13 2.969 -1.008 -17.236 1.00 33.44 C ATOM 186 O ILE A 13 2.707 -0.646 -18.383 1.00 72.50 O ATOM 187 CB ILE A 13 4.261 0.565 -15.792 1.00 73.25 C ATOM 188 CG1 ILE A 13 4.159 1.709 -14.782 1.00 14.22 C ATOM 189 CG2 ILE A 13 4.894 1.051 -17.088 1.00 35.24 C ATOM 190 CD1 ILE A 13 3.304 2.862 -15.259 1.00 13.34 C ATOM 0 H ILE A 13 2.989 -0.775 -14.109 1.00 32.23 H new ATOM 0 HA ILE A 13 2.182 0.771 -16.324 1.00 4.35 H new ATOM 0 HB ILE A 13 4.897 -0.213 -15.369 1.00 73.25 H new ATOM 0 HG12 ILE A 13 3.747 1.324 -13.849 1.00 14.22 H new ATOM 0 HG13 ILE A 13 5.161 2.077 -14.560 1.00 14.22 H new ATOM 0 HG21 ILE A 13 5.877 1.472 -16.877 1.00 35.24 H new ATOM 0 HG22 ILE A 13 4.998 0.214 -17.778 1.00 35.24 H new ATOM 0 HG23 ILE A 13 4.261 1.816 -17.538 1.00 35.24 H new ATOM 0 HD11 ILE A 13 3.277 3.636 -14.492 1.00 13.34 H new ATOM 0 HD12 ILE A 13 3.727 3.274 -16.176 1.00 13.34 H new ATOM 0 HD13 ILE A 13 2.292 2.508 -15.453 1.00 13.34 H new ATOM 202 N LYS A 14 3.346 -2.246 -16.937 1.00 12.12 N ATOM 203 CA LYS A 14 3.477 -3.275 -17.962 1.00 0.22 C ATOM 204 C LYS A 14 2.150 -3.500 -18.679 1.00 31.02 C ATOM 205 O LYS A 14 2.084 -3.463 -19.908 1.00 70.13 O ATOM 206 CB LYS A 14 3.961 -4.586 -17.338 1.00 55.24 C ATOM 207 CG LYS A 14 3.914 -5.766 -18.293 1.00 55.40 C ATOM 208 CD LYS A 14 2.744 -6.686 -17.985 1.00 64.01 C ATOM 209 CE LYS A 14 3.079 -8.137 -18.294 1.00 54.14 C ATOM 210 NZ LYS A 14 3.340 -8.922 -17.056 1.00 54.01 N ATOM 0 H LYS A 14 3.566 -2.562 -15.992 1.00 12.12 H new ATOM 0 HA LYS A 14 4.211 -2.935 -18.692 1.00 0.22 H new ATOM 0 HB2 LYS A 14 4.984 -4.455 -16.985 1.00 55.24 H new ATOM 0 HB3 LYS A 14 3.349 -4.811 -16.465 1.00 55.24 H new ATOM 0 HG2 LYS A 14 3.833 -5.403 -19.318 1.00 55.40 H new ATOM 0 HG3 LYS A 14 4.846 -6.327 -18.226 1.00 55.40 H new ATOM 0 HD2 LYS A 14 2.472 -6.590 -16.934 1.00 64.01 H new ATOM 0 HD3 LYS A 14 1.876 -6.380 -18.568 1.00 64.01 H new ATOM 0 HE2 LYS A 14 2.255 -8.591 -18.845 1.00 54.14 H new ATOM 0 HE3 LYS A 14 3.955 -8.178 -18.941 1.00 54.14 H new ATOM 0 HZ1 LYS A 14 3.565 -9.905 -17.309 1.00 54.01 H new ATOM 0 HZ2 LYS A 14 4.143 -8.505 -16.543 1.00 54.01 H new ATOM 0 HZ3 LYS A 14 2.495 -8.905 -16.450 1.00 54.01 H new ATOM 224 N ARG A 15 1.096 -3.732 -17.904 1.00 25.24 N ATOM 225 CA ARG A 15 -0.230 -3.962 -18.466 1.00 65.33 C ATOM 226 C ARG A 15 -0.828 -2.663 -18.998 1.00 20.44 C ATOM 227 O ARG A 15 -1.688 -2.679 -19.880 1.00 72.12 O ATOM 228 CB ARG A 15 -1.156 -4.568 -17.410 1.00 11.40 C ATOM 229 CG ARG A 15 -0.897 -6.042 -17.148 1.00 15.32 C ATOM 230 CD ARG A 15 -1.931 -6.921 -17.835 1.00 32.32 C ATOM 231 NE ARG A 15 -1.401 -8.244 -18.152 1.00 11.31 N ATOM 232 CZ ARG A 15 -0.595 -8.485 -19.181 1.00 14.11 C ATOM 233 NH1 ARG A 15 -0.230 -7.498 -19.986 1.00 74.31 N ATOM 234 NH2 ARG A 15 -0.154 -9.717 -19.405 1.00 62.40 N ATOM 0 H ARG A 15 1.134 -3.766 -16.885 1.00 25.24 H new ATOM 0 HA ARG A 15 -0.129 -4.662 -19.296 1.00 65.33 H new ATOM 0 HB2 ARG A 15 -1.040 -4.016 -16.477 1.00 11.40 H new ATOM 0 HB3 ARG A 15 -2.190 -4.441 -17.730 1.00 11.40 H new ATOM 0 HG2 ARG A 15 0.099 -6.306 -17.502 1.00 15.32 H new ATOM 0 HG3 ARG A 15 -0.914 -6.230 -16.074 1.00 15.32 H new ATOM 0 HD2 ARG A 15 -2.804 -7.025 -17.191 1.00 32.32 H new ATOM 0 HD3 ARG A 15 -2.267 -6.436 -18.751 1.00 32.32 H new ATOM 0 HE ARG A 15 -1.663 -9.026 -17.551 1.00 11.31 H new ATOM 0 HH11 ARG A 15 -0.568 -6.550 -19.817 1.00 74.31 H new ATOM 0 HH12 ARG A 15 0.389 -7.686 -20.775 1.00 74.31 H new ATOM 0 HH21 ARG A 15 -0.434 -10.479 -18.787 1.00 62.40 H new ATOM 0 HH22 ARG A 15 0.465 -9.902 -20.195 1.00 62.40 H new ATOM 248 N CYS A 16 -0.369 -1.540 -18.455 1.00 52.43 N ATOM 249 CA CYS A 16 -0.860 -0.233 -18.874 1.00 45.11 C ATOM 250 C CYS A 16 -0.556 0.016 -20.349 1.00 2.44 C ATOM 251 O CYS A 16 -1.415 0.477 -21.100 1.00 3.24 O ATOM 252 CB CYS A 16 -0.231 0.869 -18.019 1.00 44.22 C ATOM 253 SG CYS A 16 -1.302 1.480 -16.698 1.00 11.05 S ATOM 0 H CYS A 16 0.342 -1.509 -17.724 1.00 52.43 H new ATOM 0 HA CYS A 16 -1.941 -0.218 -18.737 1.00 45.11 H new ATOM 0 HB2 CYS A 16 0.691 0.490 -17.578 1.00 44.22 H new ATOM 0 HB3 CYS A 16 0.043 1.703 -18.665 1.00 44.22 H new ATOM 0 HG CYS A 16 -1.686 2.691 -16.976 1.00 11.05 H new ATOM 259 N SER A 17 0.671 -0.292 -20.755 1.00 42.21 N ATOM 260 CA SER A 17 1.089 -0.098 -22.138 1.00 64.43 C ATOM 261 C SER A 17 0.338 -1.043 -23.072 1.00 31.32 C ATOM 262 O SER A 17 0.363 -0.878 -24.290 1.00 11.23 O ATOM 263 CB SER A 17 2.597 -0.321 -22.274 1.00 11.14 C ATOM 264 OG SER A 17 2.907 -0.987 -23.485 1.00 41.22 O ATOM 0 H SER A 17 1.393 -0.677 -20.146 1.00 42.21 H new ATOM 0 HA SER A 17 0.853 0.928 -22.421 1.00 64.43 H new ATOM 0 HB2 SER A 17 3.114 0.638 -22.240 1.00 11.14 H new ATOM 0 HB3 SER A 17 2.959 -0.908 -21.430 1.00 11.14 H new ATOM 0 HG SER A 17 3.876 -1.116 -23.548 1.00 41.22 H new ATOM 270 N ASN A 18 -0.330 -2.032 -22.488 1.00 54.35 N ATOM 271 CA ASN A 18 -1.088 -3.005 -23.266 1.00 3.15 C ATOM 272 C ASN A 18 -2.286 -2.346 -23.942 1.00 52.31 C ATOM 273 O ASN A 18 -2.764 -2.813 -24.976 1.00 41.02 O ATOM 274 CB ASN A 18 -1.562 -4.150 -22.368 1.00 41.34 C ATOM 275 CG ASN A 18 -1.450 -5.501 -23.048 1.00 11.45 C ATOM 276 OD1 ASN A 18 -0.869 -6.439 -22.500 1.00 64.42 O ATOM 277 ND2 ASN A 18 -2.009 -5.607 -24.248 1.00 13.43 N ATOM 0 H ASN A 18 -0.362 -2.181 -21.479 1.00 54.35 H new ATOM 0 HA ASN A 18 -0.432 -3.406 -24.038 1.00 3.15 H new ATOM 0 HB2 ASN A 18 -0.972 -4.157 -21.451 1.00 41.34 H new ATOM 0 HB3 ASN A 18 -2.599 -3.976 -22.079 1.00 41.34 H new ATOM 0 HD21 ASN A 18 -1.967 -6.492 -24.754 1.00 13.43 H new ATOM 0 HD22 ASN A 18 -2.480 -4.804 -24.664 1.00 13.43 H new ATOM 284 N VAL A 19 -2.767 -1.256 -23.351 1.00 74.00 N ATOM 285 CA VAL A 19 -3.908 -0.531 -23.896 1.00 25.01 C ATOM 286 C VAL A 19 -3.454 0.663 -24.727 1.00 70.31 C ATOM 287 O VAL A 19 -2.310 1.106 -24.623 1.00 54.11 O ATOM 288 CB VAL A 19 -4.846 -0.038 -22.779 1.00 73.52 C ATOM 289 CG1 VAL A 19 -5.334 -1.207 -21.937 1.00 33.01 C ATOM 290 CG2 VAL A 19 -4.144 0.997 -21.912 1.00 53.30 C ATOM 0 H VAL A 19 -2.384 -0.856 -22.495 1.00 74.00 H new ATOM 0 HA VAL A 19 -4.451 -1.229 -24.534 1.00 25.01 H new ATOM 0 HB VAL A 19 -5.714 0.435 -23.239 1.00 73.52 H new ATOM 0 HG11 VAL A 19 -5.996 -0.839 -21.153 1.00 33.01 H new ATOM 0 HG12 VAL A 19 -5.876 -1.910 -22.570 1.00 33.01 H new ATOM 0 HG13 VAL A 19 -4.480 -1.711 -21.484 1.00 33.01 H new ATOM 0 HG21 VAL A 19 -4.822 1.335 -21.128 1.00 53.30 H new ATOM 0 HG22 VAL A 19 -3.258 0.552 -21.459 1.00 53.30 H new ATOM 0 HG23 VAL A 19 -3.849 1.847 -22.527 1.00 53.30 H new ATOM 300 N ALA A 20 -4.358 1.182 -25.552 1.00 52.20 N ATOM 301 CA ALA A 20 -4.051 2.328 -26.399 1.00 54.42 C ATOM 302 C ALA A 20 -4.133 3.630 -25.611 1.00 62.41 C ATOM 303 O ALA A 20 -4.814 3.708 -24.589 1.00 63.11 O ATOM 304 CB ALA A 20 -4.993 2.369 -27.592 1.00 24.51 C ATOM 0 H ALA A 20 -5.309 0.827 -25.652 1.00 52.20 H new ATOM 0 HA ALA A 20 -3.029 2.218 -26.762 1.00 54.42 H new ATOM 0 HB1 ALA A 20 -4.753 3.230 -28.216 1.00 24.51 H new ATOM 0 HB2 ALA A 20 -4.881 1.455 -28.175 1.00 24.51 H new ATOM 0 HB3 ALA A 20 -6.022 2.452 -27.241 1.00 24.51 H new ATOM 310 N VAL A 21 -3.433 4.653 -26.093 1.00 21.03 N ATOM 311 CA VAL A 21 -3.427 5.954 -25.434 1.00 41.13 C ATOM 312 C VAL A 21 -4.841 6.507 -25.297 1.00 62.10 C ATOM 313 O VAL A 21 -5.133 7.276 -24.382 1.00 12.34 O ATOM 314 CB VAL A 21 -2.563 6.970 -26.204 1.00 14.30 C ATOM 315 CG1 VAL A 21 -1.147 6.440 -26.382 1.00 64.11 C ATOM 316 CG2 VAL A 21 -3.193 7.293 -27.550 1.00 75.22 C ATOM 0 H VAL A 21 -2.863 4.606 -26.937 1.00 21.03 H new ATOM 0 HA VAL A 21 -3.001 5.804 -24.442 1.00 41.13 H new ATOM 0 HB VAL A 21 -2.511 7.891 -25.623 1.00 14.30 H new ATOM 0 HG11 VAL A 21 -0.551 7.171 -26.928 1.00 64.11 H new ATOM 0 HG12 VAL A 21 -0.699 6.264 -25.404 1.00 64.11 H new ATOM 0 HG13 VAL A 21 -1.176 5.505 -26.941 1.00 64.11 H new ATOM 0 HG21 VAL A 21 -2.569 8.012 -28.080 1.00 75.22 H new ATOM 0 HG22 VAL A 21 -3.277 6.381 -28.141 1.00 75.22 H new ATOM 0 HG23 VAL A 21 -4.185 7.718 -27.395 1.00 75.22 H new ATOM 396 N LYS A 28 -2.057 3.997 -30.922 1.00 71.31 N ATOM 397 CA LYS A 28 -0.774 3.728 -30.282 1.00 21.43 C ATOM 398 C LYS A 28 -0.967 3.343 -28.819 1.00 33.13 C ATOM 399 O LYS A 28 -1.991 3.658 -28.212 1.00 1.21 O ATOM 400 CB LYS A 28 0.136 4.954 -30.381 1.00 42.45 C ATOM 401 CG LYS A 28 1.423 4.694 -31.148 1.00 24.32 C ATOM 402 CD LYS A 28 2.466 5.762 -30.863 1.00 41.11 C ATOM 403 CE LYS A 28 2.023 7.125 -31.373 1.00 3.31 C ATOM 404 NZ LYS A 28 3.042 7.740 -32.267 1.00 50.05 N ATOM 0 HA LYS A 28 -0.305 2.892 -30.802 1.00 21.43 H new ATOM 0 HB2 LYS A 28 -0.410 5.763 -30.866 1.00 42.45 H new ATOM 0 HB3 LYS A 28 0.384 5.295 -29.376 1.00 42.45 H new ATOM 0 HG2 LYS A 28 1.819 3.716 -30.876 1.00 24.32 H new ATOM 0 HG3 LYS A 28 1.212 4.666 -32.217 1.00 24.32 H new ATOM 0 HD2 LYS A 28 2.649 5.816 -29.790 1.00 41.11 H new ATOM 0 HD3 LYS A 28 3.409 5.485 -31.334 1.00 41.11 H new ATOM 0 HE2 LYS A 28 1.081 7.023 -31.912 1.00 3.31 H new ATOM 0 HE3 LYS A 28 1.836 7.786 -30.527 1.00 3.31 H new ATOM 0 HZ1 LYS A 28 2.703 8.667 -32.594 1.00 50.05 H new ATOM 0 HZ2 LYS A 28 3.934 7.861 -31.745 1.00 50.05 H new ATOM 0 HZ3 LYS A 28 3.202 7.122 -33.088 1.00 50.05 H new ATOM 418 N LYS A 29 0.024 2.661 -28.256 1.00 75.33 N ATOM 419 CA LYS A 29 -0.034 2.235 -26.862 1.00 20.44 C ATOM 420 C LYS A 29 0.438 3.348 -25.932 1.00 43.13 C ATOM 421 O LYS A 29 1.367 4.089 -26.256 1.00 43.13 O ATOM 422 CB LYS A 29 0.823 0.984 -26.654 1.00 30.21 C ATOM 423 CG LYS A 29 0.154 -0.296 -27.123 1.00 12.50 C ATOM 424 CD LYS A 29 0.085 -0.365 -28.639 1.00 72.14 C ATOM 425 CE LYS A 29 0.493 -1.737 -29.153 1.00 12.51 C ATOM 426 NZ LYS A 29 1.942 -1.795 -29.491 1.00 51.44 N ATOM 0 H LYS A 29 0.878 2.391 -28.744 1.00 75.33 H new ATOM 0 HA LYS A 29 -1.071 2.002 -26.622 1.00 20.44 H new ATOM 0 HB2 LYS A 29 1.766 1.107 -27.186 1.00 30.21 H new ATOM 0 HB3 LYS A 29 1.064 0.891 -25.595 1.00 30.21 H new ATOM 0 HG2 LYS A 29 0.705 -1.156 -26.743 1.00 12.50 H new ATOM 0 HG3 LYS A 29 -0.853 -0.355 -26.709 1.00 12.50 H new ATOM 0 HD2 LYS A 29 -0.929 -0.138 -28.969 1.00 72.14 H new ATOM 0 HD3 LYS A 29 0.738 0.395 -29.069 1.00 72.14 H new ATOM 0 HE2 LYS A 29 0.266 -2.490 -28.398 1.00 12.51 H new ATOM 0 HE3 LYS A 29 -0.096 -1.984 -30.036 1.00 12.51 H new ATOM 0 HZ1 LYS A 29 2.180 -2.746 -29.837 1.00 51.44 H new ATOM 0 HZ2 LYS A 29 2.154 -1.094 -30.230 1.00 51.44 H new ATOM 0 HZ3 LYS A 29 2.505 -1.585 -28.642 1.00 51.44 H new ATOM 440 N PHE A 30 -0.206 3.460 -24.776 1.00 23.52 N ATOM 441 CA PHE A 30 0.149 4.483 -23.799 1.00 4.23 C ATOM 442 C PHE A 30 1.643 4.450 -23.494 1.00 51.44 C ATOM 443 O PHE A 30 2.256 3.383 -23.451 1.00 33.03 O ATOM 444 CB PHE A 30 -0.651 4.285 -22.509 1.00 63.35 C ATOM 445 CG PHE A 30 -1.249 5.556 -21.975 1.00 35.13 C ATOM 446 CD1 PHE A 30 -2.623 5.703 -21.880 1.00 21.44 C ATOM 447 CD2 PHE A 30 -0.436 6.602 -21.566 1.00 40.22 C ATOM 448 CE1 PHE A 30 -3.177 6.870 -21.388 1.00 30.32 C ATOM 449 CE2 PHE A 30 -0.984 7.771 -21.073 1.00 14.32 C ATOM 450 CZ PHE A 30 -2.356 7.906 -20.985 1.00 1.42 C ATOM 0 H PHE A 30 -0.977 2.855 -24.492 1.00 23.52 H new ATOM 0 HA PHE A 30 -0.095 5.456 -24.225 1.00 4.23 H new ATOM 0 HB2 PHE A 30 -1.449 3.566 -22.692 1.00 63.35 H new ATOM 0 HB3 PHE A 30 0.000 3.852 -21.750 1.00 63.35 H new ATOM 0 HD1 PHE A 30 -3.269 4.896 -22.194 1.00 21.44 H new ATOM 0 HD2 PHE A 30 0.637 6.502 -21.633 1.00 40.22 H new ATOM 0 HE1 PHE A 30 -4.250 6.972 -21.319 1.00 30.32 H new ATOM 0 HE2 PHE A 30 -0.340 8.578 -20.757 1.00 14.32 H new ATOM 0 HZ PHE A 30 -2.786 8.820 -20.602 1.00 1.42 H new ATOM 460 N GLY A 31 2.225 5.626 -23.284 1.00 74.21 N ATOM 461 CA GLY A 31 3.643 5.710 -22.987 1.00 71.25 C ATOM 462 C GLY A 31 3.912 6.078 -21.541 1.00 53.25 C ATOM 463 O GLY A 31 3.002 6.481 -20.818 1.00 14.31 O ATOM 0 H GLY A 31 1.740 6.523 -23.314 1.00 74.21 H new ATOM 0 HA2 GLY A 31 4.115 4.753 -23.209 1.00 71.25 H new ATOM 0 HA3 GLY A 31 4.104 6.452 -23.639 1.00 71.25 H new ATOM 467 N GLU A 32 5.165 5.938 -21.120 1.00 34.22 N ATOM 468 CA GLU A 32 5.550 6.257 -19.750 1.00 40.00 C ATOM 469 C GLU A 32 5.482 7.760 -19.501 1.00 24.32 C ATOM 470 O GLU A 32 5.006 8.208 -18.458 1.00 14.30 O ATOM 471 CB GLU A 32 6.963 5.744 -19.460 1.00 4.21 C ATOM 472 CG GLU A 32 8.011 6.273 -20.425 1.00 61.34 C ATOM 473 CD GLU A 32 9.071 5.241 -20.757 1.00 32.31 C ATOM 474 OE1 GLU A 32 8.809 4.378 -21.619 1.00 44.23 O ATOM 475 OE2 GLU A 32 10.163 5.296 -20.153 1.00 30.51 O ATOM 0 H GLU A 32 5.930 5.606 -21.707 1.00 34.22 H new ATOM 0 HA GLU A 32 4.847 5.763 -19.079 1.00 40.00 H new ATOM 0 HB2 GLU A 32 7.241 6.025 -18.444 1.00 4.21 H new ATOM 0 HB3 GLU A 32 6.961 4.655 -19.500 1.00 4.21 H new ATOM 0 HG2 GLU A 32 7.523 6.596 -21.345 1.00 61.34 H new ATOM 0 HG3 GLU A 32 8.488 7.152 -19.992 1.00 61.34 H new ATOM 482 N GLY A 33 5.962 8.537 -20.469 1.00 11.05 N ATOM 483 CA GLY A 33 5.947 9.982 -20.336 1.00 5.42 C ATOM 484 C GLY A 33 4.547 10.533 -20.156 1.00 21.32 C ATOM 485 O GLY A 33 4.304 11.355 -19.272 1.00 15.44 O ATOM 0 H GLY A 33 6.360 8.191 -21.342 1.00 11.05 H new ATOM 0 HA2 GLY A 33 6.561 10.272 -19.483 1.00 5.42 H new ATOM 0 HA3 GLY A 33 6.399 10.430 -21.221 1.00 5.42 H new ATOM 489 N ASN A 34 3.622 10.083 -20.997 1.00 13.31 N ATOM 490 CA ASN A 34 2.237 10.538 -20.928 1.00 54.04 C ATOM 491 C ASN A 34 1.603 10.149 -19.596 1.00 11.53 C ATOM 492 O ASN A 34 0.945 10.963 -18.949 1.00 25.34 O ATOM 493 CB ASN A 34 1.427 9.949 -22.084 1.00 51.12 C ATOM 494 CG ASN A 34 1.983 10.341 -23.439 1.00 45.55 C ATOM 495 OD1 ASN A 34 1.590 11.356 -24.015 1.00 4.25 O ATOM 496 ND2 ASN A 34 2.904 9.536 -23.956 1.00 1.52 N ATOM 0 H ASN A 34 3.806 9.403 -21.735 1.00 13.31 H new ATOM 0 HA ASN A 34 2.233 11.625 -21.008 1.00 54.04 H new ATOM 0 HB2 ASN A 34 1.416 8.862 -22.000 1.00 51.12 H new ATOM 0 HB3 ASN A 34 0.393 10.285 -22.008 1.00 51.12 H new ATOM 0 HD21 ASN A 34 3.315 9.749 -24.865 1.00 1.52 H new ATOM 0 HD22 ASN A 34 3.200 8.705 -23.444 1.00 1.52 H new ATOM 503 N PHE A 35 1.806 8.899 -19.193 1.00 74.15 N ATOM 504 CA PHE A 35 1.254 8.401 -17.939 1.00 14.02 C ATOM 505 C PHE A 35 1.801 9.189 -16.752 1.00 64.23 C ATOM 506 O PHE A 35 1.041 9.702 -15.931 1.00 35.22 O ATOM 507 CB PHE A 35 1.575 6.914 -17.770 1.00 63.34 C ATOM 508 CG PHE A 35 0.396 6.016 -18.007 1.00 14.44 C ATOM 509 CD1 PHE A 35 0.462 4.997 -18.943 1.00 45.32 C ATOM 510 CD2 PHE A 35 -0.779 6.190 -17.293 1.00 44.22 C ATOM 511 CE1 PHE A 35 -0.622 4.167 -19.164 1.00 64.53 C ATOM 512 CE2 PHE A 35 -1.866 5.363 -17.509 1.00 62.45 C ATOM 513 CZ PHE A 35 -1.787 4.351 -18.446 1.00 64.12 C ATOM 0 H PHE A 35 2.349 8.213 -19.717 1.00 74.15 H new ATOM 0 HA PHE A 35 0.172 8.531 -17.971 1.00 14.02 H new ATOM 0 HB2 PHE A 35 2.373 6.642 -18.461 1.00 63.34 H new ATOM 0 HB3 PHE A 35 1.954 6.745 -16.762 1.00 63.34 H new ATOM 0 HD1 PHE A 35 1.371 4.849 -19.507 1.00 45.32 H new ATOM 0 HD2 PHE A 35 -0.846 6.980 -16.560 1.00 44.22 H new ATOM 0 HE1 PHE A 35 -0.557 3.376 -19.897 1.00 64.53 H new ATOM 0 HE2 PHE A 35 -2.776 5.508 -16.946 1.00 62.45 H new ATOM 0 HZ PHE A 35 -2.635 3.705 -18.617 1.00 64.12 H new ATOM 523 N ARG A 36 3.125 9.281 -16.671 1.00 11.14 N ATOM 524 CA ARG A 36 3.774 10.005 -15.584 1.00 52.32 C ATOM 525 C ARG A 36 3.246 11.432 -15.490 1.00 61.52 C ATOM 526 O ARG A 36 3.134 11.993 -14.400 1.00 20.23 O ATOM 527 CB ARG A 36 5.291 10.023 -15.790 1.00 5.53 C ATOM 528 CG ARG A 36 6.078 10.200 -14.503 1.00 31.03 C ATOM 529 CD ARG A 36 7.151 11.268 -14.648 1.00 14.43 C ATOM 530 NE ARG A 36 7.623 11.749 -13.353 1.00 62.13 N ATOM 531 CZ ARG A 36 8.618 12.618 -13.210 1.00 71.05 C ATOM 532 NH1 ARG A 36 9.242 13.097 -14.277 1.00 65.52 N ATOM 533 NH2 ARG A 36 8.990 13.009 -11.998 1.00 41.32 N ATOM 0 H ARG A 36 3.768 8.864 -17.344 1.00 11.14 H new ATOM 0 HA ARG A 36 3.546 9.490 -14.651 1.00 52.32 H new ATOM 0 HB2 ARG A 36 5.595 9.091 -16.267 1.00 5.53 H new ATOM 0 HB3 ARG A 36 5.546 10.831 -16.476 1.00 5.53 H new ATOM 0 HG2 ARG A 36 5.399 10.472 -13.695 1.00 31.03 H new ATOM 0 HG3 ARG A 36 6.541 9.253 -14.225 1.00 31.03 H new ATOM 0 HD2 ARG A 36 7.991 10.863 -15.213 1.00 14.43 H new ATOM 0 HD3 ARG A 36 6.754 12.105 -15.223 1.00 14.43 H new ATOM 0 HE ARG A 36 7.164 11.399 -12.512 1.00 62.13 H new ATOM 0 HH11 ARG A 36 8.959 12.799 -15.210 1.00 65.52 H new ATOM 0 HH12 ARG A 36 10.005 13.764 -14.165 1.00 65.52 H new ATOM 0 HH21 ARG A 36 8.512 12.642 -11.175 1.00 41.32 H new ATOM 0 HH22 ARG A 36 9.754 13.676 -11.889 1.00 41.32 H new ATOM 547 N TRP A 37 2.924 12.016 -16.639 1.00 53.44 N ATOM 548 CA TRP A 37 2.409 13.379 -16.686 1.00 2.40 C ATOM 549 C TRP A 37 1.050 13.472 -16.000 1.00 54.41 C ATOM 550 O TRP A 37 0.824 14.348 -15.168 1.00 22.32 O ATOM 551 CB TRP A 37 2.295 13.854 -18.136 1.00 51.24 C ATOM 552 CG TRP A 37 1.506 15.119 -18.287 1.00 74.42 C ATOM 553 CD1 TRP A 37 1.992 16.396 -18.262 1.00 32.13 C ATOM 554 CD2 TRP A 37 0.092 15.229 -18.483 1.00 64.34 C ATOM 555 NE1 TRP A 37 0.965 17.292 -18.431 1.00 64.45 N ATOM 556 CE2 TRP A 37 -0.210 16.603 -18.570 1.00 11.21 C ATOM 557 CE3 TRP A 37 -0.947 14.302 -18.597 1.00 60.34 C ATOM 558 CZ2 TRP A 37 -1.508 17.067 -18.764 1.00 63.43 C ATOM 559 CZ3 TRP A 37 -2.235 14.765 -18.789 1.00 52.20 C ATOM 560 CH2 TRP A 37 -2.507 16.138 -18.871 1.00 53.23 C ATOM 0 H TRP A 37 3.011 11.566 -17.550 1.00 53.44 H new ATOM 0 HA TRP A 37 3.109 14.023 -16.154 1.00 2.40 H new ATOM 0 HB2 TRP A 37 3.296 14.008 -18.540 1.00 51.24 H new ATOM 0 HB3 TRP A 37 1.828 13.070 -18.732 1.00 51.24 H new ATOM 0 HD1 TRP A 37 3.030 16.661 -18.129 1.00 32.13 H new ATOM 0 HE1 TRP A 37 1.062 18.307 -18.450 1.00 64.45 H new ATOM 0 HE3 TRP A 37 -0.747 13.242 -18.536 1.00 60.34 H new ATOM 0 HZ2 TRP A 37 -1.719 18.124 -18.828 1.00 63.43 H new ATOM 0 HZ3 TRP A 37 -3.046 14.057 -18.877 1.00 52.20 H new ATOM 0 HH2 TRP A 37 -3.524 16.469 -19.021 1.00 53.23 H new ATOM 571 N ALA A 38 0.150 12.561 -16.355 1.00 52.22 N ATOM 572 CA ALA A 38 -1.186 12.538 -15.772 1.00 32.54 C ATOM 573 C ALA A 38 -1.136 12.138 -14.301 1.00 63.55 C ATOM 574 O ALA A 38 -1.828 12.721 -13.466 1.00 3.40 O ATOM 575 CB ALA A 38 -2.085 11.589 -16.549 1.00 1.33 C ATOM 0 H ALA A 38 0.322 11.829 -17.044 1.00 52.22 H new ATOM 0 HA ALA A 38 -1.600 13.544 -15.834 1.00 32.54 H new ATOM 0 HB1 ALA A 38 -3.079 11.582 -16.102 1.00 1.33 H new ATOM 0 HB2 ALA A 38 -2.155 11.920 -17.585 1.00 1.33 H new ATOM 0 HB3 ALA A 38 -1.666 10.583 -16.517 1.00 1.33 H new ATOM 581 N ILE A 39 -0.313 11.141 -13.992 1.00 21.24 N ATOM 582 CA ILE A 39 -0.174 10.665 -12.622 1.00 15.33 C ATOM 583 C ILE A 39 0.440 11.736 -11.727 1.00 2.34 C ATOM 584 O ILE A 39 -0.116 12.082 -10.685 1.00 32.04 O ATOM 585 CB ILE A 39 0.696 9.395 -12.553 1.00 0.14 C ATOM 586 CG1 ILE A 39 0.031 8.253 -13.325 1.00 61.43 C ATOM 587 CG2 ILE A 39 0.935 8.994 -11.105 1.00 61.30 C ATOM 588 CD1 ILE A 39 -1.277 7.794 -12.719 1.00 61.50 C ATOM 0 H ILE A 39 0.267 10.648 -14.671 1.00 21.24 H new ATOM 0 HA ILE A 39 -1.177 10.429 -12.267 1.00 15.33 H new ATOM 0 HB ILE A 39 1.660 9.608 -13.014 1.00 0.14 H new ATOM 0 HG12 ILE A 39 -0.147 8.574 -14.351 1.00 61.43 H new ATOM 0 HG13 ILE A 39 0.718 7.408 -13.370 1.00 61.43 H new ATOM 0 HG21 ILE A 39 1.551 8.095 -11.073 1.00 61.30 H new ATOM 0 HG22 ILE A 39 1.446 9.803 -10.583 1.00 61.30 H new ATOM 0 HG23 ILE A 39 -0.021 8.796 -10.620 1.00 61.30 H new ATOM 0 HD11 ILE A 39 -1.691 6.983 -13.318 1.00 61.50 H new ATOM 0 HD12 ILE A 39 -1.103 7.441 -11.702 1.00 61.50 H new ATOM 0 HD13 ILE A 39 -1.981 8.626 -12.699 1.00 61.50 H new ATOM 600 N ARG A 40 1.589 12.259 -12.141 1.00 52.52 N ATOM 601 CA ARG A 40 2.278 13.292 -11.378 1.00 11.01 C ATOM 602 C ARG A 40 1.401 14.530 -11.225 1.00 64.45 C ATOM 603 O ARG A 40 1.301 15.102 -10.140 1.00 35.20 O ATOM 604 CB ARG A 40 3.596 13.667 -12.059 1.00 51.32 C ATOM 605 CG ARG A 40 4.653 12.577 -11.984 1.00 12.14 C ATOM 606 CD ARG A 40 5.199 12.427 -10.573 1.00 72.50 C ATOM 607 NE ARG A 40 5.545 11.042 -10.263 1.00 51.41 N ATOM 608 CZ ARG A 40 6.288 10.685 -9.222 1.00 71.44 C ATOM 609 NH1 ARG A 40 6.760 11.606 -8.394 1.00 31.31 N ATOM 610 NH2 ARG A 40 6.560 9.404 -9.008 1.00 31.31 N ATOM 0 H ARG A 40 2.063 11.984 -13.001 1.00 52.52 H new ATOM 0 HA ARG A 40 2.491 12.894 -10.386 1.00 11.01 H new ATOM 0 HB2 ARG A 40 3.401 13.900 -13.106 1.00 51.32 H new ATOM 0 HB3 ARG A 40 3.988 14.574 -11.598 1.00 51.32 H new ATOM 0 HG2 ARG A 40 4.225 11.630 -12.312 1.00 12.14 H new ATOM 0 HG3 ARG A 40 5.469 12.812 -12.668 1.00 12.14 H new ATOM 0 HD2 ARG A 40 6.082 13.056 -10.458 1.00 72.50 H new ATOM 0 HD3 ARG A 40 4.458 12.784 -9.858 1.00 72.50 H new ATOM 0 HE ARG A 40 5.197 10.309 -10.880 1.00 51.41 H new ATOM 0 HH11 ARG A 40 6.553 12.592 -8.556 1.00 31.31 H new ATOM 0 HH12 ARG A 40 7.330 11.329 -7.595 1.00 31.31 H new ATOM 0 HH21 ARG A 40 6.198 8.693 -9.643 1.00 31.31 H new ATOM 0 HH22 ARG A 40 7.131 9.131 -8.208 1.00 31.31 H new ATOM 624 N MET A 41 0.769 14.941 -12.320 1.00 33.23 N ATOM 625 CA MET A 41 -0.099 16.112 -12.307 1.00 14.43 C ATOM 626 C MET A 41 -1.318 15.874 -11.421 1.00 62.40 C ATOM 627 O MET A 41 -1.560 16.617 -10.470 1.00 61.34 O ATOM 628 CB MET A 41 -0.547 16.457 -13.729 1.00 21.21 C ATOM 629 CG MET A 41 -1.253 17.799 -13.834 1.00 42.30 C ATOM 630 SD MET A 41 -0.945 18.624 -15.407 1.00 41.23 S ATOM 631 CE MET A 41 -1.079 20.343 -14.921 1.00 51.32 C ATOM 0 H MET A 41 0.842 14.480 -13.227 1.00 33.23 H new ATOM 0 HA MET A 41 0.467 16.949 -11.899 1.00 14.43 H new ATOM 0 HB2 MET A 41 0.324 16.461 -14.385 1.00 21.21 H new ATOM 0 HB3 MET A 41 -1.215 15.675 -14.091 1.00 21.21 H new ATOM 0 HG2 MET A 41 -2.326 17.652 -13.709 1.00 42.30 H new ATOM 0 HG3 MET A 41 -0.923 18.444 -13.019 1.00 42.30 H new ATOM 0 HE1 MET A 41 -0.913 20.981 -15.789 1.00 51.32 H new ATOM 0 HE2 MET A 41 -2.074 20.531 -14.518 1.00 51.32 H new ATOM 0 HE3 MET A 41 -0.332 20.565 -14.159 1.00 51.32 H new ATOM 641 N ALA A 42 -2.083 14.835 -11.739 1.00 51.12 N ATOM 642 CA ALA A 42 -3.276 14.501 -10.971 1.00 51.53 C ATOM 643 C ALA A 42 -2.960 14.404 -9.482 1.00 15.50 C ATOM 644 O ALA A 42 -3.815 14.669 -8.639 1.00 62.21 O ATOM 645 CB ALA A 42 -3.875 13.194 -11.472 1.00 20.43 C ATOM 0 H ALA A 42 -1.898 14.210 -12.523 1.00 51.12 H new ATOM 0 HA ALA A 42 -4.005 15.300 -11.110 1.00 51.53 H new ATOM 0 HB1 ALA A 42 -4.765 12.955 -10.890 1.00 20.43 H new ATOM 0 HB2 ALA A 42 -4.145 13.297 -12.523 1.00 20.43 H new ATOM 0 HB3 ALA A 42 -3.144 12.393 -11.362 1.00 20.43 H new ATOM 651 N ASN A 43 -1.727 14.021 -9.167 1.00 3.54 N ATOM 652 CA ASN A 43 -1.300 13.888 -7.778 1.00 44.44 C ATOM 653 C ASN A 43 -1.221 15.252 -7.101 1.00 73.23 C ATOM 654 O ASN A 43 -1.918 15.512 -6.120 1.00 1.53 O ATOM 655 CB ASN A 43 0.060 13.191 -7.707 1.00 34.01 C ATOM 656 CG ASN A 43 -0.046 11.692 -7.912 1.00 31.40 C ATOM 657 OD1 ASN A 43 -1.144 11.145 -8.020 1.00 23.21 O ATOM 658 ND2 ASN A 43 1.097 11.019 -7.966 1.00 51.10 N ATOM 0 H ASN A 43 -1.006 13.797 -9.853 1.00 3.54 H new ATOM 0 HA ASN A 43 -2.039 13.284 -7.252 1.00 44.44 H new ATOM 0 HB2 ASN A 43 0.721 13.612 -8.464 1.00 34.01 H new ATOM 0 HB3 ASN A 43 0.517 13.391 -6.738 1.00 34.01 H new ATOM 0 HD21 ASN A 43 1.088 10.008 -8.102 1.00 51.10 H new ATOM 0 HD22 ASN A 43 1.985 11.513 -7.872 1.00 51.10 H new ATOM 665 N VAL A 44 -0.366 16.122 -7.631 1.00 10.33 N ATOM 666 CA VAL A 44 -0.197 17.461 -7.078 1.00 10.41 C ATOM 667 C VAL A 44 -1.493 18.259 -7.165 1.00 51.31 C ATOM 668 O VAL A 44 -1.772 19.103 -6.314 1.00 74.50 O ATOM 669 CB VAL A 44 0.918 18.232 -7.809 1.00 1.41 C ATOM 670 CG1 VAL A 44 1.155 19.581 -7.148 1.00 71.53 C ATOM 671 CG2 VAL A 44 2.199 17.412 -7.843 1.00 73.00 C ATOM 0 H VAL A 44 0.220 15.923 -8.442 1.00 10.33 H new ATOM 0 HA VAL A 44 0.081 17.339 -6.031 1.00 10.41 H new ATOM 0 HB VAL A 44 0.601 18.409 -8.837 1.00 1.41 H new ATOM 0 HG11 VAL A 44 1.946 20.112 -7.678 1.00 71.53 H new ATOM 0 HG12 VAL A 44 0.238 20.169 -7.182 1.00 71.53 H new ATOM 0 HG13 VAL A 44 1.451 19.430 -6.110 1.00 71.53 H new ATOM 0 HG21 VAL A 44 2.976 17.972 -8.363 1.00 73.00 H new ATOM 0 HG22 VAL A 44 2.524 17.202 -6.824 1.00 73.00 H new ATOM 0 HG23 VAL A 44 2.016 16.473 -8.366 1.00 73.00 H new ATOM 681 N SER A 45 -2.283 17.985 -8.199 1.00 40.14 N ATOM 682 CA SER A 45 -3.548 18.680 -8.399 1.00 3.00 C ATOM 683 C SER A 45 -4.518 18.382 -7.259 1.00 0.40 C ATOM 684 O SER A 45 -5.393 19.190 -6.944 1.00 55.41 O ATOM 685 CB SER A 45 -4.173 18.271 -9.735 1.00 31.11 C ATOM 686 OG SER A 45 -3.453 18.820 -10.824 1.00 75.41 O ATOM 0 H SER A 45 -2.068 17.286 -8.911 1.00 40.14 H new ATOM 0 HA SER A 45 -3.348 19.751 -8.412 1.00 3.00 H new ATOM 0 HB2 SER A 45 -4.188 17.184 -9.816 1.00 31.11 H new ATOM 0 HB3 SER A 45 -5.209 18.607 -9.773 1.00 31.11 H new ATOM 0 HG SER A 45 -2.652 18.280 -10.992 1.00 75.41 H new ATOM 692 N THR A 46 -4.356 17.216 -6.642 1.00 54.30 N ATOM 693 CA THR A 46 -5.216 16.809 -5.538 1.00 40.42 C ATOM 694 C THR A 46 -4.581 17.146 -4.194 1.00 22.41 C ATOM 695 O THR A 46 -4.885 16.522 -3.178 1.00 43.33 O ATOM 696 CB THR A 46 -5.515 15.299 -5.587 1.00 34.34 C ATOM 697 OG1 THR A 46 -4.340 14.578 -5.973 1.00 4.54 O ATOM 698 CG2 THR A 46 -6.643 15.002 -6.563 1.00 14.33 C ATOM 0 H THR A 46 -3.636 16.536 -6.888 1.00 54.30 H new ATOM 0 HA THR A 46 -6.150 17.361 -5.644 1.00 40.42 H new ATOM 0 HB THR A 46 -5.824 14.980 -4.592 1.00 34.34 H new ATOM 0 HG1 THR A 46 -3.544 15.066 -5.675 1.00 4.54 H new ATOM 0 HG21 THR A 46 -6.836 13.929 -6.580 1.00 14.33 H new ATOM 0 HG22 THR A 46 -7.544 15.528 -6.248 1.00 14.33 H new ATOM 0 HG23 THR A 46 -6.358 15.336 -7.561 1.00 14.33 H new ATOM 706 N GLY A 47 -3.697 18.140 -4.194 1.00 64.03 N ATOM 707 CA GLY A 47 -3.034 18.543 -2.969 1.00 23.40 C ATOM 708 C GLY A 47 -2.062 17.496 -2.462 1.00 4.11 C ATOM 709 O GLY A 47 -1.676 17.511 -1.293 1.00 42.03 O ATOM 0 H GLY A 47 -3.429 18.673 -5.021 1.00 64.03 H new ATOM 0 HA2 GLY A 47 -2.500 19.478 -3.140 1.00 23.40 H new ATOM 0 HA3 GLY A 47 -3.783 18.740 -2.202 1.00 23.40 H new ATOM 713 N ARG A 48 -1.668 16.582 -3.344 1.00 32.45 N ATOM 714 CA ARG A 48 -0.739 15.520 -2.978 1.00 60.22 C ATOM 715 C ARG A 48 0.689 15.889 -3.370 1.00 53.23 C ATOM 716 O ARG A 48 1.101 15.684 -4.512 1.00 64.42 O ATOM 717 CB ARG A 48 -1.141 14.207 -3.652 1.00 40.14 C ATOM 718 CG ARG A 48 -0.946 12.985 -2.769 1.00 45.53 C ATOM 719 CD ARG A 48 -2.038 11.952 -3.000 1.00 15.02 C ATOM 720 NE ARG A 48 -2.041 10.919 -1.967 1.00 52.15 N ATOM 721 CZ ARG A 48 -2.555 11.094 -0.755 1.00 13.10 C ATOM 722 NH1 ARG A 48 -3.104 12.254 -0.425 1.00 22.14 N ATOM 723 NH2 ARG A 48 -2.519 10.106 0.131 1.00 23.10 N ATOM 0 H ARG A 48 -1.978 16.556 -4.316 1.00 32.45 H new ATOM 0 HA ARG A 48 -0.780 15.392 -1.896 1.00 60.22 H new ATOM 0 HB2 ARG A 48 -2.188 14.267 -3.949 1.00 40.14 H new ATOM 0 HB3 ARG A 48 -0.557 14.083 -4.564 1.00 40.14 H new ATOM 0 HG2 ARG A 48 0.027 12.539 -2.973 1.00 45.53 H new ATOM 0 HG3 ARG A 48 -0.945 13.288 -1.722 1.00 45.53 H new ATOM 0 HD2 ARG A 48 -3.008 12.448 -3.019 1.00 15.02 H new ATOM 0 HD3 ARG A 48 -1.898 11.488 -3.976 1.00 15.02 H new ATOM 0 HE ARG A 48 -1.626 10.014 -2.189 1.00 52.15 H new ATOM 0 HH11 ARG A 48 -3.133 13.016 -1.103 1.00 22.14 H new ATOM 0 HH12 ARG A 48 -3.498 12.385 0.507 1.00 22.14 H new ATOM 0 HH21 ARG A 48 -2.096 9.212 -0.119 1.00 23.10 H new ATOM 0 HH22 ARG A 48 -2.914 10.241 1.062 1.00 23.10 H new ATOM 773 N ASP A 52 3.139 9.900 -5.430 1.00 32.21 N ATOM 774 CA ASP A 52 3.501 8.489 -5.503 1.00 65.51 C ATOM 775 C ASP A 52 2.694 7.777 -6.584 1.00 34.33 C ATOM 776 O ASP A 52 2.006 8.416 -7.381 1.00 21.12 O ATOM 777 CB ASP A 52 3.276 7.812 -4.150 1.00 22.51 C ATOM 778 CG ASP A 52 4.508 7.079 -3.657 1.00 24.11 C ATOM 779 OD1 ASP A 52 4.505 5.830 -3.682 1.00 31.42 O ATOM 780 OD2 ASP A 52 5.475 7.754 -3.248 1.00 74.02 O ATOM 0 HA ASP A 52 4.558 8.423 -5.761 1.00 65.51 H new ATOM 0 HB2 ASP A 52 2.985 8.563 -3.415 1.00 22.51 H new ATOM 0 HB3 ASP A 52 2.447 7.109 -4.232 1.00 22.51 H new ATOM 785 N ILE A 53 2.783 6.451 -6.603 1.00 44.44 N ATOM 786 CA ILE A 53 2.061 5.653 -7.586 1.00 20.13 C ATOM 787 C ILE A 53 0.969 4.820 -6.922 1.00 54.55 C ATOM 788 O ILE A 53 1.120 3.617 -6.701 1.00 41.22 O ATOM 789 CB ILE A 53 3.009 4.716 -8.357 1.00 71.21 C ATOM 790 CG1 ILE A 53 4.091 5.527 -9.073 1.00 45.53 C ATOM 791 CG2 ILE A 53 2.227 3.872 -9.351 1.00 42.32 C ATOM 792 CD1 ILE A 53 3.550 6.433 -10.156 1.00 4.33 C ATOM 0 H ILE A 53 3.347 5.908 -5.950 1.00 44.44 H new ATOM 0 HA ILE A 53 1.606 6.352 -8.287 1.00 20.13 H new ATOM 0 HB ILE A 53 3.493 4.047 -7.645 1.00 71.21 H new ATOM 0 HG12 ILE A 53 4.626 6.130 -8.340 1.00 45.53 H new ATOM 0 HG13 ILE A 53 4.816 4.842 -9.512 1.00 45.53 H new ATOM 0 HG21 ILE A 53 2.911 3.215 -9.888 1.00 42.32 H new ATOM 0 HG22 ILE A 53 1.490 3.271 -8.818 1.00 42.32 H new ATOM 0 HG23 ILE A 53 1.718 4.524 -10.061 1.00 42.32 H new ATOM 0 HD11 ILE A 53 4.373 6.977 -10.620 1.00 4.33 H new ATOM 0 HD12 ILE A 53 3.040 5.834 -10.910 1.00 4.33 H new ATOM 0 HD13 ILE A 53 2.847 7.142 -9.719 1.00 4.33 H new ATOM 804 N PRO A 54 -0.157 5.471 -6.597 1.00 53.13 N ATOM 805 CA PRO A 54 -1.297 4.808 -5.955 1.00 45.22 C ATOM 806 C PRO A 54 -2.010 3.843 -6.895 1.00 44.33 C ATOM 807 O PRO A 54 -2.625 4.259 -7.877 1.00 71.24 O ATOM 808 CB PRO A 54 -2.219 5.972 -5.583 1.00 24.31 C ATOM 809 CG PRO A 54 -1.874 7.053 -6.549 1.00 53.50 C ATOM 810 CD PRO A 54 -0.405 6.903 -6.830 1.00 62.34 C ATOM 0 HA PRO A 54 -0.990 4.200 -5.104 1.00 45.22 H new ATOM 0 HB2 PRO A 54 -3.268 5.688 -5.665 1.00 24.31 H new ATOM 0 HB3 PRO A 54 -2.055 6.293 -4.554 1.00 24.31 H new ATOM 0 HG2 PRO A 54 -2.458 6.959 -7.465 1.00 53.50 H new ATOM 0 HG3 PRO A 54 -2.093 8.035 -6.130 1.00 53.50 H new ATOM 0 HD2 PRO A 54 -0.160 7.192 -7.852 1.00 62.34 H new ATOM 0 HD3 PRO A 54 0.196 7.528 -6.169 1.00 62.34 H new ATOM 818 N GLU A 55 -1.924 2.552 -6.588 1.00 71.42 N ATOM 819 CA GLU A 55 -2.562 1.528 -7.407 1.00 72.52 C ATOM 820 C GLU A 55 -3.664 0.817 -6.628 1.00 30.03 C ATOM 821 O GLU A 55 -3.625 -0.400 -6.445 1.00 24.15 O ATOM 822 CB GLU A 55 -1.526 0.511 -7.889 1.00 55.43 C ATOM 823 CG GLU A 55 -1.871 -0.122 -9.227 1.00 1.24 C ATOM 824 CD GLU A 55 -1.651 -1.622 -9.237 1.00 74.22 C ATOM 825 OE1 GLU A 55 -0.851 -2.109 -8.410 1.00 72.44 O ATOM 826 OE2 GLU A 55 -2.276 -2.309 -10.070 1.00 43.24 O ATOM 0 H GLU A 55 -1.419 2.191 -5.779 1.00 71.42 H new ATOM 0 HA GLU A 55 -3.010 2.018 -8.272 1.00 72.52 H new ATOM 0 HB2 GLU A 55 -0.556 1.003 -7.968 1.00 55.43 H new ATOM 0 HB3 GLU A 55 -1.425 -0.275 -7.140 1.00 55.43 H new ATOM 0 HG2 GLU A 55 -2.913 0.090 -9.467 1.00 1.24 H new ATOM 0 HG3 GLU A 55 -1.264 0.336 -10.008 1.00 1.24 H new ATOM 833 N THR A 56 -4.647 1.587 -6.170 1.00 10.24 N ATOM 834 CA THR A 56 -5.760 1.032 -5.409 1.00 11.23 C ATOM 835 C THR A 56 -7.057 1.773 -5.712 1.00 61.33 C ATOM 836 O THR A 56 -7.084 3.004 -5.758 1.00 41.03 O ATOM 837 CB THR A 56 -5.490 1.092 -3.893 1.00 40.13 C ATOM 838 OG1 THR A 56 -5.659 2.432 -3.418 1.00 63.12 O ATOM 839 CG2 THR A 56 -4.083 0.609 -3.576 1.00 63.44 C ATOM 0 H THR A 56 -4.695 2.596 -6.313 1.00 10.24 H new ATOM 0 HA THR A 56 -5.861 -0.010 -5.712 1.00 11.23 H new ATOM 0 HB THR A 56 -6.203 0.438 -3.392 1.00 40.13 H new ATOM 0 HG1 THR A 56 -5.757 2.424 -2.443 1.00 63.12 H new ATOM 0 HG21 THR A 56 -3.915 0.660 -2.500 1.00 63.44 H new ATOM 0 HG22 THR A 56 -3.967 -0.421 -3.913 1.00 63.44 H new ATOM 0 HG23 THR A 56 -3.357 1.242 -4.087 1.00 63.44 H new ATOM 847 N LEU A 57 -8.131 1.019 -5.916 1.00 43.42 N ATOM 848 CA LEU A 57 -9.433 1.606 -6.214 1.00 13.32 C ATOM 849 C LEU A 57 -9.797 2.674 -5.188 1.00 53.13 C ATOM 850 O LEU A 57 -10.490 3.642 -5.504 1.00 55.42 O ATOM 851 CB LEU A 57 -10.510 0.519 -6.240 1.00 33.44 C ATOM 852 CG LEU A 57 -10.706 -0.201 -7.574 1.00 52.54 C ATOM 853 CD1 LEU A 57 -11.167 0.775 -8.645 1.00 23.31 C ATOM 854 CD2 LEU A 57 -9.419 -0.894 -8.001 1.00 70.32 C ATOM 0 H LEU A 57 -8.126 -0.000 -5.881 1.00 43.42 H new ATOM 0 HA LEU A 57 -9.376 2.077 -7.196 1.00 13.32 H new ATOM 0 HB2 LEU A 57 -10.265 -0.225 -5.481 1.00 33.44 H new ATOM 0 HB3 LEU A 57 -11.459 0.970 -5.950 1.00 33.44 H new ATOM 0 HG LEU A 57 -11.478 -0.959 -7.445 1.00 52.54 H new ATOM 0 HD11 LEU A 57 -11.301 0.244 -9.588 1.00 23.31 H new ATOM 0 HD12 LEU A 57 -12.113 1.225 -8.344 1.00 23.31 H new ATOM 0 HD13 LEU A 57 -10.418 1.556 -8.772 1.00 23.31 H new ATOM 0 HD21 LEU A 57 -9.577 -1.401 -8.953 1.00 70.32 H new ATOM 0 HD22 LEU A 57 -8.627 -0.154 -8.112 1.00 70.32 H new ATOM 0 HD23 LEU A 57 -9.130 -1.624 -7.244 1.00 70.32 H new ATOM 866 N ASP A 58 -9.323 2.494 -3.960 1.00 53.50 N ATOM 867 CA ASP A 58 -9.595 3.443 -2.888 1.00 42.21 C ATOM 868 C ASP A 58 -8.885 4.769 -3.144 1.00 63.03 C ATOM 869 O ASP A 58 -9.486 5.837 -3.031 1.00 63.23 O ATOM 870 CB ASP A 58 -9.154 2.866 -1.542 1.00 13.12 C ATOM 871 CG ASP A 58 -10.233 2.979 -0.483 1.00 74.41 C ATOM 872 OD1 ASP A 58 -11.083 3.887 -0.596 1.00 12.14 O ATOM 873 OD2 ASP A 58 -10.227 2.159 0.458 1.00 13.42 O ATOM 0 H ASP A 58 -8.748 1.699 -3.683 1.00 53.50 H new ATOM 0 HA ASP A 58 -10.669 3.625 -2.861 1.00 42.21 H new ATOM 0 HB2 ASP A 58 -8.883 1.818 -1.670 1.00 13.12 H new ATOM 0 HB3 ASP A 58 -8.259 3.387 -1.202 1.00 13.12 H new ATOM 878 N GLN A 59 -7.603 4.692 -3.487 1.00 42.02 N ATOM 879 CA GLN A 59 -6.812 5.887 -3.757 1.00 13.52 C ATOM 880 C GLN A 59 -7.357 6.638 -4.967 1.00 75.14 C ATOM 881 O GLN A 59 -7.650 7.832 -4.889 1.00 54.02 O ATOM 882 CB GLN A 59 -5.347 5.511 -3.991 1.00 23.23 C ATOM 883 CG GLN A 59 -4.486 5.616 -2.744 1.00 15.05 C ATOM 884 CD GLN A 59 -3.859 4.291 -2.354 1.00 22.21 C ATOM 885 OE1 GLN A 59 -3.201 3.644 -3.309 1.00 24.21 O flip ATOM 886 NE2 GLN A 59 -3.965 3.853 -1.208 1.00 72.11 N flip ATOM 0 H GLN A 59 -7.090 3.816 -3.584 1.00 42.02 H new ATOM 0 HA GLN A 59 -6.878 6.541 -2.887 1.00 13.52 H new ATOM 0 HB2 GLN A 59 -5.299 4.491 -4.371 1.00 23.23 H new ATOM 0 HB3 GLN A 59 -4.933 6.159 -4.764 1.00 23.23 H new ATOM 0 HG2 GLN A 59 -3.699 6.351 -2.912 1.00 15.05 H new ATOM 0 HG3 GLN A 59 -5.094 5.983 -1.917 1.00 15.05 H new ATOM 0 HE21 GLN A 59 -4.480 4.383 -0.505 1.00 72.11 H new ATOM 0 HE22 GLN A 59 -3.538 2.960 -0.962 1.00 72.11 H new ATOM 895 N LEU A 60 -7.488 5.932 -6.085 1.00 64.43 N ATOM 896 CA LEU A 60 -7.997 6.534 -7.314 1.00 21.22 C ATOM 897 C LEU A 60 -9.402 7.090 -7.105 1.00 62.04 C ATOM 898 O LEU A 60 -9.801 8.054 -7.760 1.00 4.35 O ATOM 899 CB LEU A 60 -8.006 5.503 -8.443 1.00 3.42 C ATOM 900 CG LEU A 60 -6.664 5.251 -9.133 1.00 0.11 C ATOM 901 CD1 LEU A 60 -6.115 6.543 -9.719 1.00 15.14 C ATOM 902 CD2 LEU A 60 -5.669 4.640 -8.157 1.00 44.51 C ATOM 0 H LEU A 60 -7.249 4.944 -6.166 1.00 64.43 H new ATOM 0 HA LEU A 60 -7.337 7.357 -7.588 1.00 21.22 H new ATOM 0 HB2 LEU A 60 -8.368 4.557 -8.041 1.00 3.42 H new ATOM 0 HB3 LEU A 60 -8.724 5.825 -9.197 1.00 3.42 H new ATOM 0 HG LEU A 60 -6.823 4.545 -9.948 1.00 0.11 H new ATOM 0 HD11 LEU A 60 -5.160 6.345 -10.206 1.00 15.14 H new ATOM 0 HD12 LEU A 60 -6.820 6.939 -10.450 1.00 15.14 H new ATOM 0 HD13 LEU A 60 -5.971 7.272 -8.922 1.00 15.14 H new ATOM 0 HD21 LEU A 60 -4.720 4.468 -8.665 1.00 44.51 H new ATOM 0 HD22 LEU A 60 -5.514 5.322 -7.321 1.00 44.51 H new ATOM 0 HD23 LEU A 60 -6.059 3.692 -7.785 1.00 44.51 H new ATOM 914 N ARG A 61 -10.145 6.478 -6.190 1.00 25.11 N ATOM 915 CA ARG A 61 -11.506 6.913 -5.895 1.00 12.40 C ATOM 916 C ARG A 61 -11.509 8.307 -5.276 1.00 30.21 C ATOM 917 O ARG A 61 -12.227 9.198 -5.732 1.00 22.21 O ATOM 918 CB ARG A 61 -12.187 5.922 -4.950 1.00 14.15 C ATOM 919 CG ARG A 61 -13.526 6.408 -4.418 1.00 52.24 C ATOM 920 CD ARG A 61 -13.425 6.835 -2.962 1.00 50.12 C ATOM 921 NE ARG A 61 -14.630 7.523 -2.509 1.00 10.03 N ATOM 922 CZ ARG A 61 -15.751 6.895 -2.169 1.00 75.24 C ATOM 923 NH1 ARG A 61 -15.818 5.572 -2.229 1.00 61.31 N ATOM 924 NH2 ARG A 61 -16.806 7.591 -1.766 1.00 32.45 N ATOM 0 H ARG A 61 -9.829 5.680 -5.640 1.00 25.11 H new ATOM 0 HA ARG A 61 -12.060 6.950 -6.833 1.00 12.40 H new ATOM 0 HB2 ARG A 61 -12.335 4.977 -5.473 1.00 14.15 H new ATOM 0 HB3 ARG A 61 -11.523 5.720 -4.109 1.00 14.15 H new ATOM 0 HG2 ARG A 61 -13.876 7.246 -5.021 1.00 52.24 H new ATOM 0 HG3 ARG A 61 -14.267 5.615 -4.515 1.00 52.24 H new ATOM 0 HD2 ARG A 61 -13.252 5.958 -2.338 1.00 50.12 H new ATOM 0 HD3 ARG A 61 -12.564 7.491 -2.835 1.00 50.12 H new ATOM 0 HE ARG A 61 -14.611 8.541 -2.450 1.00 10.03 H new ATOM 0 HH11 ARG A 61 -15.008 5.034 -2.537 1.00 61.31 H new ATOM 0 HH12 ARG A 61 -16.679 5.093 -1.967 1.00 61.31 H new ATOM 0 HH21 ARG A 61 -16.757 8.609 -1.717 1.00 32.45 H new ATOM 0 HH22 ARG A 61 -17.666 7.108 -1.505 1.00 32.45 H new ATOM 938 N LEU A 62 -10.703 8.489 -4.236 1.00 0.41 N ATOM 939 CA LEU A 62 -10.612 9.775 -3.553 1.00 1.14 C ATOM 940 C LEU A 62 -9.951 10.820 -4.446 1.00 34.10 C ATOM 941 O LEU A 62 -10.279 12.004 -4.381 1.00 74.33 O ATOM 942 CB LEU A 62 -9.825 9.628 -2.250 1.00 1.12 C ATOM 943 CG LEU A 62 -10.589 9.949 -0.964 1.00 43.30 C ATOM 944 CD1 LEU A 62 -11.177 11.350 -1.028 1.00 60.43 C ATOM 945 CD2 LEU A 62 -11.684 8.920 -0.725 1.00 1.12 C ATOM 0 H LEU A 62 -10.103 7.762 -3.847 1.00 0.41 H new ATOM 0 HA LEU A 62 -11.624 10.109 -3.323 1.00 1.14 H new ATOM 0 HB2 LEU A 62 -9.458 8.604 -2.185 1.00 1.12 H new ATOM 0 HB3 LEU A 62 -8.951 10.278 -2.301 1.00 1.12 H new ATOM 0 HG LEU A 62 -9.890 9.909 -0.129 1.00 43.30 H new ATOM 0 HD11 LEU A 62 -11.717 11.561 -0.105 1.00 60.43 H new ATOM 0 HD12 LEU A 62 -10.374 12.076 -1.153 1.00 60.43 H new ATOM 0 HD13 LEU A 62 -11.862 11.419 -1.873 1.00 60.43 H new ATOM 0 HD21 LEU A 62 -12.218 9.163 0.194 1.00 1.12 H new ATOM 0 HD22 LEU A 62 -12.381 8.929 -1.563 1.00 1.12 H new ATOM 0 HD23 LEU A 62 -11.239 7.929 -0.634 1.00 1.12 H new ATOM 957 N VAL A 63 -9.019 10.372 -5.282 1.00 14.05 N ATOM 958 CA VAL A 63 -8.313 11.267 -6.190 1.00 3.21 C ATOM 959 C VAL A 63 -9.219 11.719 -7.330 1.00 73.43 C ATOM 960 O VAL A 63 -9.527 12.904 -7.458 1.00 24.41 O ATOM 961 CB VAL A 63 -7.060 10.594 -6.782 1.00 21.42 C ATOM 962 CG1 VAL A 63 -6.360 11.529 -7.756 1.00 21.14 C ATOM 963 CG2 VAL A 63 -6.114 10.162 -5.671 1.00 61.25 C ATOM 0 H VAL A 63 -8.736 9.394 -5.349 1.00 14.05 H new ATOM 0 HA VAL A 63 -8.008 12.135 -5.605 1.00 3.21 H new ATOM 0 HB VAL A 63 -7.371 9.705 -7.331 1.00 21.42 H new ATOM 0 HG11 VAL A 63 -5.478 11.036 -8.163 1.00 21.14 H new ATOM 0 HG12 VAL A 63 -7.041 11.784 -8.568 1.00 21.14 H new ATOM 0 HG13 VAL A 63 -6.059 12.438 -7.235 1.00 21.14 H new ATOM 0 HG21 VAL A 63 -5.234 9.688 -6.106 1.00 61.25 H new ATOM 0 HG22 VAL A 63 -5.808 11.035 -5.094 1.00 61.25 H new ATOM 0 HG23 VAL A 63 -6.621 9.453 -5.016 1.00 61.25 H new ATOM 973 N ILE A 64 -9.642 10.768 -8.155 1.00 41.30 N ATOM 974 CA ILE A 64 -10.514 11.069 -9.284 1.00 21.04 C ATOM 975 C ILE A 64 -11.731 11.872 -8.839 1.00 1.44 C ATOM 976 O ILE A 64 -12.208 12.748 -9.561 1.00 51.40 O ATOM 977 CB ILE A 64 -10.990 9.783 -9.986 1.00 42.12 C ATOM 978 CG1 ILE A 64 -9.791 8.985 -10.502 1.00 72.23 C ATOM 979 CG2 ILE A 64 -11.937 10.122 -11.126 1.00 2.44 C ATOM 980 CD1 ILE A 64 -10.093 7.520 -10.729 1.00 73.24 C ATOM 0 H ILE A 64 -9.395 9.783 -8.063 1.00 41.30 H new ATOM 0 HA ILE A 64 -9.928 11.661 -9.987 1.00 21.04 H new ATOM 0 HB ILE A 64 -11.528 9.169 -9.263 1.00 42.12 H new ATOM 0 HG12 ILE A 64 -9.447 9.426 -11.438 1.00 72.23 H new ATOM 0 HG13 ILE A 64 -8.972 9.073 -9.788 1.00 72.23 H new ATOM 0 HG21 ILE A 64 -12.265 9.203 -11.612 1.00 2.44 H new ATOM 0 HG22 ILE A 64 -12.804 10.654 -10.733 1.00 2.44 H new ATOM 0 HG23 ILE A 64 -11.423 10.753 -11.851 1.00 2.44 H new ATOM 0 HD11 ILE A 64 -9.198 7.016 -11.094 1.00 73.24 H new ATOM 0 HD12 ILE A 64 -10.408 7.064 -9.791 1.00 73.24 H new ATOM 0 HD13 ILE A 64 -10.890 7.423 -11.466 1.00 73.24 H new ATOM 992 N CYS A 65 -12.230 11.568 -7.646 1.00 12.03 N ATOM 993 CA CYS A 65 -13.392 12.262 -7.102 1.00 65.14 C ATOM 994 C CYS A 65 -13.081 13.736 -6.861 1.00 1.30 C ATOM 995 O CYS A 65 -13.762 14.618 -7.386 1.00 72.43 O ATOM 996 CB CYS A 65 -13.842 11.604 -5.798 1.00 11.12 C ATOM 997 SG CYS A 65 -15.210 12.454 -4.975 1.00 51.44 S ATOM 0 H CYS A 65 -11.848 10.845 -7.036 1.00 12.03 H new ATOM 0 HA CYS A 65 -14.199 12.194 -7.832 1.00 65.14 H new ATOM 0 HB2 CYS A 65 -14.140 10.576 -6.006 1.00 11.12 H new ATOM 0 HB3 CYS A 65 -12.994 11.558 -5.115 1.00 11.12 H new ATOM 0 HG CYS A 65 -15.520 11.821 -3.883 1.00 51.44 H new ATOM 1003 N ASP A 66 -12.051 13.995 -6.063 1.00 63.30 N ATOM 1004 CA ASP A 66 -11.650 15.362 -5.752 1.00 22.15 C ATOM 1005 C ASP A 66 -11.249 16.113 -7.017 1.00 11.43 C ATOM 1006 O ASP A 66 -11.754 17.201 -7.294 1.00 22.34 O ATOM 1007 CB ASP A 66 -10.491 15.362 -4.754 1.00 14.52 C ATOM 1008 CG ASP A 66 -10.966 15.338 -3.314 1.00 52.30 C ATOM 1009 OD1 ASP A 66 -10.664 16.297 -2.574 1.00 22.41 O ATOM 1010 OD2 ASP A 66 -11.641 14.361 -2.929 1.00 72.21 O ATOM 0 H ASP A 66 -11.479 13.276 -5.620 1.00 63.30 H new ATOM 0 HA ASP A 66 -12.504 15.871 -5.305 1.00 22.15 H new ATOM 0 HB2 ASP A 66 -9.857 14.495 -4.939 1.00 14.52 H new ATOM 0 HB3 ASP A 66 -9.876 16.247 -4.916 1.00 14.52 H new ATOM 1015 N LEU A 67 -10.336 15.525 -7.782 1.00 41.14 N ATOM 1016 CA LEU A 67 -9.864 16.139 -9.020 1.00 15.52 C ATOM 1017 C LEU A 67 -11.030 16.449 -9.953 1.00 13.54 C ATOM 1018 O LEU A 67 -10.985 17.411 -10.718 1.00 14.10 O ATOM 1019 CB LEU A 67 -8.866 15.216 -9.721 1.00 2.33 C ATOM 1020 CG LEU A 67 -8.105 15.822 -10.900 1.00 22.30 C ATOM 1021 CD1 LEU A 67 -7.384 17.092 -10.474 1.00 2.40 C ATOM 1022 CD2 LEU A 67 -7.120 14.814 -11.475 1.00 64.44 C ATOM 0 H LEU A 67 -9.908 14.624 -7.568 1.00 41.14 H new ATOM 0 HA LEU A 67 -9.367 17.076 -8.766 1.00 15.52 H new ATOM 0 HB2 LEU A 67 -8.140 14.872 -8.984 1.00 2.33 H new ATOM 0 HB3 LEU A 67 -9.403 14.336 -10.075 1.00 2.33 H new ATOM 0 HG LEU A 67 -8.824 16.080 -11.677 1.00 22.30 H new ATOM 0 HD11 LEU A 67 -6.848 17.509 -11.326 1.00 2.40 H new ATOM 0 HD12 LEU A 67 -8.111 17.819 -10.111 1.00 2.40 H new ATOM 0 HD13 LEU A 67 -6.676 16.859 -9.679 1.00 2.40 H new ATOM 0 HD21 LEU A 67 -6.588 15.263 -12.313 1.00 64.44 H new ATOM 0 HD22 LEU A 67 -6.405 14.524 -10.705 1.00 64.44 H new ATOM 0 HD23 LEU A 67 -7.661 13.932 -11.819 1.00 64.44 H new ATOM 1034 N GLN A 68 -12.073 15.627 -9.881 1.00 73.00 N ATOM 1035 CA GLN A 68 -13.252 15.815 -10.718 1.00 22.00 C ATOM 1036 C GLN A 68 -13.979 17.105 -10.352 1.00 44.43 C ATOM 1037 O GLN A 68 -14.201 17.965 -11.203 1.00 63.42 O ATOM 1038 CB GLN A 68 -14.200 14.623 -10.577 1.00 43.04 C ATOM 1039 CG GLN A 68 -14.026 13.575 -11.664 1.00 70.25 C ATOM 1040 CD GLN A 68 -15.258 13.428 -12.536 1.00 31.30 C ATOM 1041 OE1 GLN A 68 -15.830 14.554 -12.946 1.00 64.31 O flip ATOM 1042 NE2 GLN A 68 -15.691 12.315 -12.836 1.00 43.14 N flip ATOM 0 H GLN A 68 -12.125 14.826 -9.252 1.00 73.00 H new ATOM 0 HA GLN A 68 -12.923 15.887 -11.755 1.00 22.00 H new ATOM 0 HB2 GLN A 68 -14.041 14.156 -9.605 1.00 43.04 H new ATOM 0 HB3 GLN A 68 -15.229 14.984 -10.593 1.00 43.04 H new ATOM 0 HG2 GLN A 68 -13.174 13.843 -12.288 1.00 70.25 H new ATOM 0 HG3 GLN A 68 -13.795 12.614 -11.204 1.00 70.25 H new ATOM 0 HE21 GLN A 68 -15.219 11.476 -12.498 1.00 43.14 H new ATOM 0 HE22 GLN A 68 -16.522 12.232 -13.422 1.00 43.14 H new ATOM 1051 N GLU A 69 -14.349 17.230 -9.082 1.00 1.23 N ATOM 1052 CA GLU A 69 -15.053 18.414 -8.605 1.00 60.34 C ATOM 1053 C GLU A 69 -14.231 19.676 -8.860 1.00 14.24 C ATOM 1054 O GLU A 69 -14.781 20.766 -9.014 1.00 73.03 O ATOM 1055 CB GLU A 69 -15.360 18.285 -7.111 1.00 64.32 C ATOM 1056 CG GLU A 69 -16.832 18.460 -6.776 1.00 74.00 C ATOM 1057 CD GLU A 69 -17.571 17.138 -6.691 1.00 32.53 C ATOM 1058 OE1 GLU A 69 -17.998 16.630 -7.747 1.00 3.35 O ATOM 1059 OE2 GLU A 69 -17.721 16.614 -5.567 1.00 0.51 O ATOM 0 H GLU A 69 -14.173 16.526 -8.365 1.00 1.23 H new ATOM 0 HA GLU A 69 -15.990 18.494 -9.156 1.00 60.34 H new ATOM 0 HB2 GLU A 69 -15.031 17.306 -6.764 1.00 64.32 H new ATOM 0 HB3 GLU A 69 -14.780 19.028 -6.564 1.00 64.32 H new ATOM 0 HG2 GLU A 69 -16.925 18.986 -5.826 1.00 74.00 H new ATOM 0 HG3 GLU A 69 -17.302 19.087 -7.534 1.00 74.00 H new ATOM 1066 N ARG A 70 -12.913 19.516 -8.900 1.00 52.23 N ATOM 1067 CA ARG A 70 -12.015 20.641 -9.135 1.00 32.12 C ATOM 1068 C ARG A 70 -12.183 21.186 -10.549 1.00 52.13 C ATOM 1069 O ARG A 70 -12.532 22.351 -10.739 1.00 63.44 O ATOM 1070 CB ARG A 70 -10.563 20.217 -8.909 1.00 52.23 C ATOM 1071 CG ARG A 70 -10.159 20.182 -7.444 1.00 54.33 C ATOM 1072 CD ARG A 70 -8.647 20.208 -7.283 1.00 71.33 C ATOM 1073 NE ARG A 70 -8.224 21.136 -6.236 1.00 12.24 N ATOM 1074 CZ ARG A 70 -8.295 20.860 -4.939 1.00 33.24 C ATOM 1075 NH1 ARG A 70 -8.769 19.691 -4.530 1.00 11.30 N ATOM 1076 NH2 ARG A 70 -7.891 21.756 -4.046 1.00 13.13 N ATOM 0 H ARG A 70 -12.443 18.620 -8.773 1.00 52.23 H new ATOM 0 HA ARG A 70 -12.270 21.431 -8.428 1.00 32.12 H new ATOM 0 HB2 ARG A 70 -10.410 19.229 -9.343 1.00 52.23 H new ATOM 0 HB3 ARG A 70 -9.906 20.904 -9.442 1.00 52.23 H new ATOM 0 HG2 ARG A 70 -10.596 21.035 -6.924 1.00 54.33 H new ATOM 0 HG3 ARG A 70 -10.561 19.283 -6.976 1.00 54.33 H new ATOM 0 HD2 ARG A 70 -8.290 19.206 -7.045 1.00 71.33 H new ATOM 0 HD3 ARG A 70 -8.187 20.494 -8.229 1.00 71.33 H new ATOM 0 HE ARG A 70 -7.854 22.044 -6.517 1.00 12.24 H new ATOM 0 HH11 ARG A 70 -9.081 19.000 -5.213 1.00 11.30 H new ATOM 0 HH12 ARG A 70 -8.822 19.483 -3.533 1.00 11.30 H new ATOM 0 HH21 ARG A 70 -7.526 22.657 -4.356 1.00 13.13 H new ATOM 0 HH22 ARG A 70 -7.946 21.544 -3.050 1.00 13.13 H new ATOM 1090 N ARG A 71 -11.932 20.335 -11.540 1.00 34.54 N ATOM 1091 CA ARG A 71 -12.054 20.732 -12.936 1.00 65.04 C ATOM 1092 C ARG A 71 -13.490 21.129 -13.266 1.00 41.52 C ATOM 1093 O ARG A 71 -13.741 21.827 -14.248 1.00 71.21 O ATOM 1094 CB ARG A 71 -11.606 19.592 -13.854 1.00 1.11 C ATOM 1095 CG ARG A 71 -12.617 18.463 -13.960 1.00 22.10 C ATOM 1096 CD ARG A 71 -13.224 18.388 -15.353 1.00 11.32 C ATOM 1097 NE ARG A 71 -14.638 18.023 -15.315 1.00 13.21 N ATOM 1098 CZ ARG A 71 -15.071 16.774 -15.186 1.00 51.34 C ATOM 1099 NH1 ARG A 71 -14.205 15.775 -15.084 1.00 65.52 N ATOM 1100 NH2 ARG A 71 -16.373 16.521 -15.160 1.00 42.31 N ATOM 0 H ARG A 71 -11.643 19.367 -11.400 1.00 34.54 H new ATOM 0 HA ARG A 71 -11.410 21.596 -13.099 1.00 65.04 H new ATOM 0 HB2 ARG A 71 -11.415 19.992 -14.850 1.00 1.11 H new ATOM 0 HB3 ARG A 71 -10.662 19.190 -13.486 1.00 1.11 H new ATOM 0 HG2 ARG A 71 -12.133 17.516 -13.721 1.00 22.10 H new ATOM 0 HG3 ARG A 71 -13.408 18.611 -13.225 1.00 22.10 H new ATOM 0 HD2 ARG A 71 -13.112 19.352 -15.850 1.00 11.32 H new ATOM 0 HD3 ARG A 71 -12.677 17.657 -15.948 1.00 11.32 H new ATOM 0 HE ARG A 71 -15.331 18.768 -15.392 1.00 13.21 H new ATOM 0 HH11 ARG A 71 -13.203 15.965 -15.104 1.00 65.52 H new ATOM 0 HH12 ARG A 71 -14.541 14.817 -14.985 1.00 65.52 H new ATOM 0 HH21 ARG A 71 -17.043 17.286 -15.239 1.00 42.31 H new ATOM 0 HH22 ARG A 71 -16.704 15.561 -15.061 1.00 42.31 H new ATOM 1114 N GLU A 72 -14.428 20.679 -12.438 1.00 51.23 N ATOM 1115 CA GLU A 72 -15.838 20.986 -12.643 1.00 1.32 C ATOM 1116 C GLU A 72 -16.118 22.462 -12.377 1.00 61.23 C ATOM 1117 O GLU A 72 -16.531 23.200 -13.272 1.00 22.13 O ATOM 1118 CB GLU A 72 -16.710 20.118 -11.733 1.00 72.23 C ATOM 1119 CG GLU A 72 -17.862 19.443 -12.457 1.00 1.05 C ATOM 1120 CD GLU A 72 -19.189 20.140 -12.220 1.00 61.03 C ATOM 1121 OE1 GLU A 72 -20.076 19.527 -11.589 1.00 72.33 O ATOM 1122 OE2 GLU A 72 -19.339 21.297 -12.665 1.00 3.35 O ATOM 0 H GLU A 72 -14.237 20.101 -11.620 1.00 51.23 H new ATOM 0 HA GLU A 72 -16.083 20.769 -13.683 1.00 1.32 H new ATOM 0 HB2 GLU A 72 -16.087 19.354 -11.268 1.00 72.23 H new ATOM 0 HB3 GLU A 72 -17.110 20.736 -10.929 1.00 72.23 H new ATOM 0 HG2 GLU A 72 -17.652 19.423 -13.526 1.00 1.05 H new ATOM 0 HG3 GLU A 72 -17.936 18.407 -12.127 1.00 1.05 H new ATOM 1129 N LYS A 73 -15.889 22.888 -11.138 1.00 40.35 N ATOM 1130 CA LYS A 73 -16.114 24.275 -10.752 1.00 1.14 C ATOM 1131 C LYS A 73 -15.165 25.208 -11.496 1.00 42.04 C ATOM 1132 O LYS A 73 -15.431 26.404 -11.630 1.00 12.43 O ATOM 1133 CB LYS A 73 -15.930 24.442 -9.242 1.00 33.13 C ATOM 1134 CG LYS A 73 -17.194 24.177 -8.442 1.00 21.41 C ATOM 1135 CD LYS A 73 -17.088 24.733 -7.033 1.00 22.53 C ATOM 1136 CE LYS A 73 -16.398 23.754 -6.096 1.00 45.10 C ATOM 1137 NZ LYS A 73 -16.492 24.186 -4.673 1.00 44.32 N ATOM 0 H LYS A 73 -15.548 22.291 -10.385 1.00 40.35 H new ATOM 0 HA LYS A 73 -17.138 24.538 -11.019 1.00 1.14 H new ATOM 0 HB2 LYS A 73 -15.147 23.764 -8.903 1.00 33.13 H new ATOM 0 HB3 LYS A 73 -15.586 25.456 -9.036 1.00 33.13 H new ATOM 0 HG2 LYS A 73 -18.048 24.627 -8.949 1.00 21.41 H new ATOM 0 HG3 LYS A 73 -17.379 23.104 -8.398 1.00 21.41 H new ATOM 0 HD2 LYS A 73 -16.534 25.671 -7.052 1.00 22.53 H new ATOM 0 HD3 LYS A 73 -18.085 24.959 -6.654 1.00 22.53 H new ATOM 0 HE2 LYS A 73 -16.848 22.767 -6.206 1.00 45.10 H new ATOM 0 HE3 LYS A 73 -15.349 23.659 -6.378 1.00 45.10 H new ATOM 0 HZ1 LYS A 73 -16.010 23.492 -4.067 1.00 44.32 H new ATOM 0 HZ2 LYS A 73 -16.040 25.116 -4.562 1.00 44.32 H new ATOM 0 HZ3 LYS A 73 -17.492 24.252 -4.396 1.00 44.32 H new ATOM 1151 N PHE A 74 -14.058 24.656 -11.981 1.00 20.51 N ATOM 1152 CA PHE A 74 -13.069 25.439 -12.713 1.00 22.12 C ATOM 1153 C PHE A 74 -13.430 25.524 -14.193 1.00 14.11 C ATOM 1154 O PHE A 74 -12.994 26.433 -14.899 1.00 32.25 O ATOM 1155 CB PHE A 74 -11.677 24.825 -12.549 1.00 13.53 C ATOM 1156 CG PHE A 74 -10.560 25.802 -12.777 1.00 10.43 C ATOM 1157 CD1 PHE A 74 -10.262 26.768 -11.829 1.00 54.10 C ATOM 1158 CD2 PHE A 74 -9.807 25.755 -13.939 1.00 43.52 C ATOM 1159 CE1 PHE A 74 -9.234 27.668 -12.034 1.00 44.33 C ATOM 1160 CE2 PHE A 74 -8.778 26.653 -14.151 1.00 14.25 C ATOM 1161 CZ PHE A 74 -8.492 27.611 -13.198 1.00 62.11 C ATOM 0 H PHE A 74 -13.823 23.669 -11.880 1.00 20.51 H new ATOM 0 HA PHE A 74 -13.063 26.448 -12.300 1.00 22.12 H new ATOM 0 HB2 PHE A 74 -11.587 24.411 -11.545 1.00 13.53 H new ATOM 0 HB3 PHE A 74 -11.571 23.994 -13.247 1.00 13.53 H new ATOM 0 HD1 PHE A 74 -10.841 26.818 -10.918 1.00 54.10 H new ATOM 0 HD2 PHE A 74 -10.027 25.008 -14.688 1.00 43.52 H new ATOM 0 HE1 PHE A 74 -9.011 28.414 -11.286 1.00 44.33 H new ATOM 0 HE2 PHE A 74 -8.198 26.606 -15.061 1.00 14.25 H new ATOM 0 HZ PHE A 74 -7.689 28.315 -13.363 1.00 62.11 H new ATOM 1171 N GLY A 75 -14.229 24.568 -14.657 1.00 21.21 N ATOM 1172 CA GLY A 75 -14.635 24.551 -16.050 1.00 45.04 C ATOM 1173 C GLY A 75 -13.881 23.516 -16.861 1.00 3.13 C ATOM 1174 O GLY A 75 -12.881 22.965 -16.401 1.00 74.11 O ATOM 0 H GLY A 75 -14.602 23.805 -14.093 1.00 21.21 H new ATOM 0 HA2 GLY A 75 -15.704 24.348 -16.111 1.00 45.04 H new ATOM 0 HA3 GLY A 75 -14.473 25.537 -16.485 1.00 45.04 H new ATOM 1178 N SER A 76 -14.363 23.248 -18.070 1.00 24.31 N ATOM 1179 CA SER A 76 -13.732 22.267 -18.945 1.00 73.41 C ATOM 1180 C SER A 76 -12.238 22.543 -19.082 1.00 73.41 C ATOM 1181 O SER A 76 -11.778 23.662 -18.856 1.00 22.13 O ATOM 1182 CB SER A 76 -14.393 22.282 -20.325 1.00 71.54 C ATOM 1183 OG SER A 76 -14.199 23.530 -20.969 1.00 30.03 O ATOM 0 H SER A 76 -15.189 23.697 -18.466 1.00 24.31 H new ATOM 0 HA SER A 76 -13.863 21.281 -18.498 1.00 73.41 H new ATOM 0 HB2 SER A 76 -13.978 21.483 -20.940 1.00 71.54 H new ATOM 0 HB3 SER A 76 -15.460 22.084 -20.223 1.00 71.54 H new ATOM 0 HG SER A 76 -14.629 23.514 -21.849 1.00 30.03 H new ATOM 1189 N SER A 77 -11.484 21.513 -19.452 1.00 13.52 N ATOM 1190 CA SER A 77 -10.040 21.641 -19.615 1.00 20.33 C ATOM 1191 C SER A 77 -9.432 20.336 -20.117 1.00 63.03 C ATOM 1192 O SER A 77 -9.424 19.328 -19.411 1.00 11.24 O ATOM 1193 CB SER A 77 -9.390 22.044 -18.289 1.00 41.35 C ATOM 1194 OG SER A 77 -8.173 21.347 -18.087 1.00 31.33 O ATOM 0 H SER A 77 -11.849 20.580 -19.645 1.00 13.52 H new ATOM 0 HA SER A 77 -9.850 22.418 -20.356 1.00 20.33 H new ATOM 0 HB2 SER A 77 -9.203 23.118 -18.283 1.00 41.35 H new ATOM 0 HB3 SER A 77 -10.074 21.835 -17.466 1.00 41.35 H new ATOM 0 HG SER A 77 -7.698 21.733 -17.322 1.00 31.33 H new ATOM 1200 N LYS A 78 -8.922 20.362 -21.344 1.00 71.51 N ATOM 1201 CA LYS A 78 -8.310 19.183 -21.944 1.00 55.45 C ATOM 1202 C LYS A 78 -7.248 18.592 -21.021 1.00 24.02 C ATOM 1203 O LYS A 78 -6.982 17.391 -21.055 1.00 3.31 O ATOM 1204 CB LYS A 78 -7.685 19.539 -23.295 1.00 13.52 C ATOM 1205 CG LYS A 78 -7.440 18.333 -24.187 1.00 45.12 C ATOM 1206 CD LYS A 78 -6.880 18.746 -25.539 1.00 30.01 C ATOM 1207 CE LYS A 78 -6.808 17.565 -26.496 1.00 21.42 C ATOM 1208 NZ LYS A 78 -7.595 17.809 -27.736 1.00 10.04 N ATOM 0 H LYS A 78 -8.921 21.188 -21.943 1.00 71.51 H new ATOM 0 HA LYS A 78 -9.090 18.437 -22.096 1.00 55.45 H new ATOM 0 HB2 LYS A 78 -8.339 20.239 -23.815 1.00 13.52 H new ATOM 0 HB3 LYS A 78 -6.739 20.053 -23.124 1.00 13.52 H new ATOM 0 HG2 LYS A 78 -6.745 17.651 -23.697 1.00 45.12 H new ATOM 0 HG3 LYS A 78 -8.373 17.788 -24.329 1.00 45.12 H new ATOM 0 HD2 LYS A 78 -7.506 19.528 -25.970 1.00 30.01 H new ATOM 0 HD3 LYS A 78 -5.885 19.171 -25.408 1.00 30.01 H new ATOM 0 HE2 LYS A 78 -5.768 17.372 -26.758 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -7.182 16.670 -25.998 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -7.521 16.982 -28.362 1.00 10.04 H new ATOM 0 HZ2 LYS A 78 -8.593 17.968 -27.488 1.00 10.04 H new ATOM 0 HZ3 LYS A 78 -7.222 18.648 -28.225 1.00 10.04 H new ATOM 1222 N GLU A 79 -6.646 19.444 -20.197 1.00 3.02 N ATOM 1223 CA GLU A 79 -5.614 19.005 -19.265 1.00 44.53 C ATOM 1224 C GLU A 79 -6.170 17.978 -18.282 1.00 45.11 C ATOM 1225 O GLU A 79 -5.647 16.870 -18.165 1.00 52.05 O ATOM 1226 CB GLU A 79 -5.044 20.201 -18.501 1.00 50.54 C ATOM 1227 CG GLU A 79 -4.473 21.283 -19.403 1.00 23.33 C ATOM 1228 CD GLU A 79 -3.650 22.303 -18.641 1.00 53.01 C ATOM 1229 OE1 GLU A 79 -3.679 23.492 -19.021 1.00 22.54 O ATOM 1230 OE2 GLU A 79 -2.975 21.912 -17.666 1.00 33.51 O ATOM 0 H GLU A 79 -6.855 20.442 -20.156 1.00 3.02 H new ATOM 0 HA GLU A 79 -4.816 18.537 -19.841 1.00 44.53 H new ATOM 0 HB2 GLU A 79 -5.829 20.633 -17.881 1.00 50.54 H new ATOM 0 HB3 GLU A 79 -4.262 19.852 -17.827 1.00 50.54 H new ATOM 0 HG2 GLU A 79 -3.852 20.821 -20.170 1.00 23.33 H new ATOM 0 HG3 GLU A 79 -5.289 21.791 -19.917 1.00 23.33 H new ATOM 1237 N ILE A 80 -7.233 18.356 -17.579 1.00 50.31 N ATOM 1238 CA ILE A 80 -7.860 17.469 -16.608 1.00 13.40 C ATOM 1239 C ILE A 80 -8.484 16.256 -17.292 1.00 73.35 C ATOM 1240 O ILE A 80 -8.424 15.140 -16.775 1.00 65.13 O ATOM 1241 CB ILE A 80 -8.945 18.199 -15.796 1.00 25.40 C ATOM 1242 CG1 ILE A 80 -8.342 19.399 -15.062 1.00 51.23 C ATOM 1243 CG2 ILE A 80 -9.603 17.244 -14.810 1.00 62.44 C ATOM 1244 CD1 ILE A 80 -7.311 19.016 -14.024 1.00 72.22 C ATOM 0 H ILE A 80 -7.677 19.270 -17.664 1.00 50.31 H new ATOM 0 HA ILE A 80 -7.073 17.137 -15.931 1.00 13.40 H new ATOM 0 HB ILE A 80 -9.709 18.563 -16.483 1.00 25.40 H new ATOM 0 HG12 ILE A 80 -7.882 20.067 -15.791 1.00 51.23 H new ATOM 0 HG13 ILE A 80 -9.143 19.959 -14.578 1.00 51.23 H new ATOM 0 HG21 ILE A 80 -10.368 17.776 -14.244 1.00 62.44 H new ATOM 0 HG22 ILE A 80 -10.062 16.419 -15.354 1.00 62.44 H new ATOM 0 HG23 ILE A 80 -8.851 16.853 -14.125 1.00 62.44 H new ATOM 0 HD11 ILE A 80 -6.926 19.916 -13.544 1.00 72.22 H new ATOM 0 HD12 ILE A 80 -7.771 18.373 -13.274 1.00 72.22 H new ATOM 0 HD13 ILE A 80 -6.491 18.483 -14.505 1.00 72.22 H new ATOM 1256 N ASP A 81 -9.078 16.483 -18.458 1.00 45.11 N ATOM 1257 CA ASP A 81 -9.710 15.409 -19.216 1.00 24.55 C ATOM 1258 C ASP A 81 -8.749 14.240 -19.407 1.00 23.54 C ATOM 1259 O ASP A 81 -9.122 13.082 -19.226 1.00 1.02 O ATOM 1260 CB ASP A 81 -10.182 15.925 -20.577 1.00 35.40 C ATOM 1261 CG ASP A 81 -11.278 15.065 -21.174 1.00 52.31 C ATOM 1262 OD1 ASP A 81 -11.166 13.823 -21.096 1.00 61.40 O ATOM 1263 OD2 ASP A 81 -12.247 15.633 -21.718 1.00 63.03 O ATOM 0 H ASP A 81 -9.135 17.401 -18.899 1.00 45.11 H new ATOM 0 HA ASP A 81 -10.573 15.058 -18.650 1.00 24.55 H new ATOM 0 HB2 ASP A 81 -10.545 16.947 -20.469 1.00 35.40 H new ATOM 0 HB3 ASP A 81 -9.336 15.958 -21.263 1.00 35.40 H new ATOM 1268 N MET A 82 -7.510 14.552 -19.773 1.00 63.13 N ATOM 1269 CA MET A 82 -6.496 13.527 -19.989 1.00 33.40 C ATOM 1270 C MET A 82 -6.066 12.903 -18.665 1.00 75.04 C ATOM 1271 O MET A 82 -5.891 11.688 -18.569 1.00 51.43 O ATOM 1272 CB MET A 82 -5.282 14.123 -20.703 1.00 74.42 C ATOM 1273 CG MET A 82 -4.460 13.097 -21.464 1.00 12.43 C ATOM 1274 SD MET A 82 -5.087 12.800 -23.129 1.00 23.42 S ATOM 1275 CE MET A 82 -3.869 11.642 -23.749 1.00 73.41 C ATOM 0 H MET A 82 -7.184 15.506 -19.926 1.00 63.13 H new ATOM 0 HA MET A 82 -6.930 12.747 -20.615 1.00 33.40 H new ATOM 0 HB2 MET A 82 -5.621 14.892 -21.397 1.00 74.42 H new ATOM 0 HB3 MET A 82 -4.644 14.615 -19.969 1.00 74.42 H new ATOM 0 HG2 MET A 82 -3.427 13.438 -21.525 1.00 12.43 H new ATOM 0 HG3 MET A 82 -4.454 12.159 -20.910 1.00 12.43 H new ATOM 0 HE1 MET A 82 -4.120 11.363 -24.772 1.00 73.41 H new ATOM 0 HE2 MET A 82 -2.883 12.107 -23.731 1.00 73.41 H new ATOM 0 HE3 MET A 82 -3.861 10.751 -23.121 1.00 73.41 H new ATOM 1285 N ALA A 83 -5.896 13.740 -17.648 1.00 33.14 N ATOM 1286 CA ALA A 83 -5.489 13.269 -16.330 1.00 74.42 C ATOM 1287 C ALA A 83 -6.491 12.266 -15.771 1.00 11.42 C ATOM 1288 O ALA A 83 -6.112 11.202 -15.280 1.00 31.22 O ATOM 1289 CB ALA A 83 -5.326 14.443 -15.376 1.00 43.23 C ATOM 0 H ALA A 83 -6.034 14.749 -17.711 1.00 33.14 H new ATOM 0 HA ALA A 83 -4.529 12.764 -16.434 1.00 74.42 H new ATOM 0 HB1 ALA A 83 -5.022 14.076 -14.396 1.00 43.23 H new ATOM 0 HB2 ALA A 83 -4.565 15.122 -15.761 1.00 43.23 H new ATOM 0 HB3 ALA A 83 -6.274 14.973 -15.287 1.00 43.23 H new ATOM 1295 N ILE A 84 -7.772 12.611 -15.847 1.00 2.10 N ATOM 1296 CA ILE A 84 -8.829 11.740 -15.349 1.00 43.12 C ATOM 1297 C ILE A 84 -8.837 10.407 -16.089 1.00 31.01 C ATOM 1298 O ILE A 84 -8.779 9.342 -15.473 1.00 31.41 O ATOM 1299 CB ILE A 84 -10.214 12.399 -15.487 1.00 40.15 C ATOM 1300 CG1 ILE A 84 -10.279 13.680 -14.652 1.00 14.33 C ATOM 1301 CG2 ILE A 84 -11.307 11.429 -15.066 1.00 12.12 C ATOM 1302 CD1 ILE A 84 -10.249 13.430 -13.160 1.00 44.35 C ATOM 0 H ILE A 84 -8.103 13.488 -16.249 1.00 2.10 H new ATOM 0 HA ILE A 84 -8.622 11.566 -14.293 1.00 43.12 H new ATOM 0 HB ILE A 84 -10.372 12.661 -16.533 1.00 40.15 H new ATOM 0 HG12 ILE A 84 -9.441 14.323 -14.922 1.00 14.33 H new ATOM 0 HG13 ILE A 84 -11.191 14.222 -14.903 1.00 14.33 H new ATOM 0 HG21 ILE A 84 -12.280 11.910 -15.169 1.00 12.12 H new ATOM 0 HG22 ILE A 84 -11.271 10.543 -15.700 1.00 12.12 H new ATOM 0 HG23 ILE A 84 -11.155 11.138 -14.027 1.00 12.12 H new ATOM 0 HD11 ILE A 84 -10.298 14.382 -12.631 1.00 44.35 H new ATOM 0 HD12 ILE A 84 -11.102 12.813 -12.877 1.00 44.35 H new ATOM 0 HD13 ILE A 84 -9.325 12.915 -12.896 1.00 44.35 H new ATOM 1314 N VAL A 85 -8.907 10.472 -17.415 1.00 61.32 N ATOM 1315 CA VAL A 85 -8.919 9.270 -18.240 1.00 32.33 C ATOM 1316 C VAL A 85 -7.705 8.394 -17.953 1.00 64.42 C ATOM 1317 O VAL A 85 -7.746 7.177 -18.134 1.00 63.11 O ATOM 1318 CB VAL A 85 -8.945 9.619 -19.740 1.00 21.43 C ATOM 1319 CG1 VAL A 85 -8.923 8.353 -20.583 1.00 43.12 C ATOM 1320 CG2 VAL A 85 -10.165 10.467 -20.068 1.00 32.00 C ATOM 0 H VAL A 85 -8.956 11.345 -17.941 1.00 61.32 H new ATOM 0 HA VAL A 85 -9.826 8.721 -17.987 1.00 32.33 H new ATOM 0 HB VAL A 85 -8.053 10.199 -19.976 1.00 21.43 H new ATOM 0 HG11 VAL A 85 -8.942 8.619 -21.640 1.00 43.12 H new ATOM 0 HG12 VAL A 85 -8.016 7.788 -20.367 1.00 43.12 H new ATOM 0 HG13 VAL A 85 -9.795 7.743 -20.347 1.00 43.12 H new ATOM 0 HG21 VAL A 85 -10.168 10.705 -21.132 1.00 32.00 H new ATOM 0 HG22 VAL A 85 -11.070 9.914 -19.817 1.00 32.00 H new ATOM 0 HG23 VAL A 85 -10.132 11.391 -19.490 1.00 32.00 H new ATOM 1330 N THR A 86 -6.622 9.022 -17.505 1.00 60.01 N ATOM 1331 CA THR A 86 -5.395 8.302 -17.194 1.00 52.45 C ATOM 1332 C THR A 86 -5.529 7.521 -15.892 1.00 11.14 C ATOM 1333 O THR A 86 -5.374 6.299 -15.869 1.00 30.33 O ATOM 1334 CB THR A 86 -4.193 9.260 -17.083 1.00 11.05 C ATOM 1335 OG1 THR A 86 -3.970 9.913 -18.337 1.00 40.23 O ATOM 1336 CG2 THR A 86 -2.938 8.507 -16.666 1.00 70.43 C ATOM 0 H THR A 86 -6.571 10.029 -17.350 1.00 60.01 H new ATOM 0 HA THR A 86 -5.222 7.606 -18.015 1.00 52.45 H new ATOM 0 HB THR A 86 -4.420 10.006 -16.321 1.00 11.05 H new ATOM 0 HG1 THR A 86 -4.424 10.781 -18.339 1.00 40.23 H new ATOM 0 HG21 THR A 86 -2.103 9.204 -16.594 1.00 70.43 H new ATOM 0 HG22 THR A 86 -3.102 8.036 -15.697 1.00 70.43 H new ATOM 0 HG23 THR A 86 -2.709 7.742 -17.408 1.00 70.43 H new ATOM 1344 N LEU A 87 -5.822 8.232 -14.809 1.00 71.34 N ATOM 1345 CA LEU A 87 -5.979 7.606 -13.501 1.00 31.35 C ATOM 1346 C LEU A 87 -6.955 6.436 -13.572 1.00 75.22 C ATOM 1347 O LEU A 87 -6.828 5.462 -12.831 1.00 13.43 O ATOM 1348 CB LEU A 87 -6.470 8.632 -12.478 1.00 51.02 C ATOM 1349 CG LEU A 87 -5.409 9.580 -11.916 1.00 13.35 C ATOM 1350 CD1 LEU A 87 -6.052 10.634 -11.028 1.00 74.11 C ATOM 1351 CD2 LEU A 87 -4.353 8.801 -11.145 1.00 13.23 C ATOM 0 H LEU A 87 -5.956 9.243 -14.811 1.00 71.34 H new ATOM 0 HA LEU A 87 -5.006 7.227 -13.188 1.00 31.35 H new ATOM 0 HB2 LEU A 87 -7.255 9.230 -12.941 1.00 51.02 H new ATOM 0 HB3 LEU A 87 -6.927 8.096 -11.646 1.00 51.02 H new ATOM 0 HG LEU A 87 -4.922 10.086 -12.750 1.00 13.35 H new ATOM 0 HD11 LEU A 87 -5.282 11.299 -10.637 1.00 74.11 H new ATOM 0 HD12 LEU A 87 -6.770 11.212 -11.610 1.00 74.11 H new ATOM 0 HD13 LEU A 87 -6.566 10.147 -10.199 1.00 74.11 H new ATOM 0 HD21 LEU A 87 -3.606 9.491 -10.752 1.00 13.23 H new ATOM 0 HD22 LEU A 87 -4.825 8.268 -10.319 1.00 13.23 H new ATOM 0 HD23 LEU A 87 -3.871 8.085 -11.811 1.00 13.23 H new ATOM 1363 N LYS A 88 -7.928 6.537 -14.471 1.00 20.22 N ATOM 1364 CA LYS A 88 -8.924 5.486 -14.643 1.00 22.34 C ATOM 1365 C LYS A 88 -8.311 4.259 -15.309 1.00 1.21 C ATOM 1366 O LYS A 88 -8.301 3.169 -14.737 1.00 41.53 O ATOM 1367 CB LYS A 88 -10.099 6.000 -15.478 1.00 43.32 C ATOM 1368 CG LYS A 88 -11.207 6.626 -14.649 1.00 65.24 C ATOM 1369 CD LYS A 88 -11.443 8.077 -15.039 1.00 51.45 C ATOM 1370 CE LYS A 88 -12.867 8.513 -14.729 1.00 12.22 C ATOM 1371 NZ LYS A 88 -13.459 9.306 -15.841 1.00 5.31 N ATOM 0 H LYS A 88 -8.048 7.337 -15.092 1.00 20.22 H new ATOM 0 HA LYS A 88 -9.286 5.198 -13.656 1.00 22.34 H new ATOM 0 HB2 LYS A 88 -9.731 6.736 -16.193 1.00 43.32 H new ATOM 0 HB3 LYS A 88 -10.512 5.173 -16.056 1.00 43.32 H new ATOM 0 HG2 LYS A 88 -12.128 6.058 -14.782 1.00 65.24 H new ATOM 0 HG3 LYS A 88 -10.948 6.570 -13.592 1.00 65.24 H new ATOM 0 HD2 LYS A 88 -10.741 8.717 -14.505 1.00 51.45 H new ATOM 0 HD3 LYS A 88 -11.245 8.206 -16.103 1.00 51.45 H new ATOM 0 HE2 LYS A 88 -13.483 7.634 -14.542 1.00 12.22 H new ATOM 0 HE3 LYS A 88 -12.874 9.107 -13.815 1.00 12.22 H new ATOM 0 HZ1 LYS A 88 -13.826 10.205 -15.469 1.00 5.31 H new ATOM 0 HZ2 LYS A 88 -12.729 9.499 -16.557 1.00 5.31 H new ATOM 0 HZ3 LYS A 88 -14.236 8.768 -16.275 1.00 5.31 H new ATOM 1385 N VAL A 89 -7.798 4.444 -16.522 1.00 24.35 N ATOM 1386 CA VAL A 89 -7.180 3.352 -17.265 1.00 22.42 C ATOM 1387 C VAL A 89 -6.018 2.747 -16.487 1.00 53.32 C ATOM 1388 O VAL A 89 -5.698 1.567 -16.644 1.00 24.25 O ATOM 1389 CB VAL A 89 -6.672 3.826 -18.639 1.00 43.12 C ATOM 1390 CG1 VAL A 89 -5.559 4.849 -18.474 1.00 72.22 C ATOM 1391 CG2 VAL A 89 -6.201 2.642 -19.470 1.00 74.24 C ATOM 0 H VAL A 89 -7.798 5.339 -17.010 1.00 24.35 H new ATOM 0 HA VAL A 89 -7.949 2.594 -17.412 1.00 22.42 H new ATOM 0 HB VAL A 89 -7.497 4.305 -19.166 1.00 43.12 H new ATOM 0 HG11 VAL A 89 -5.213 5.172 -19.456 1.00 72.22 H new ATOM 0 HG12 VAL A 89 -5.935 5.710 -17.921 1.00 72.22 H new ATOM 0 HG13 VAL A 89 -4.730 4.400 -17.927 1.00 72.22 H new ATOM 0 HG21 VAL A 89 -5.845 2.995 -20.438 1.00 74.24 H new ATOM 0 HG22 VAL A 89 -5.390 2.132 -18.950 1.00 74.24 H new ATOM 0 HG23 VAL A 89 -7.029 1.949 -19.619 1.00 74.24 H new ATOM 1401 N PHE A 90 -5.387 3.561 -15.646 1.00 11.42 N ATOM 1402 CA PHE A 90 -4.259 3.105 -14.843 1.00 4.10 C ATOM 1403 C PHE A 90 -4.713 2.101 -13.788 1.00 24.23 C ATOM 1404 O PHE A 90 -4.194 0.987 -13.711 1.00 64.40 O ATOM 1405 CB PHE A 90 -3.573 4.295 -14.170 1.00 55.01 C ATOM 1406 CG PHE A 90 -2.102 4.088 -13.942 1.00 34.45 C ATOM 1407 CD1 PHE A 90 -1.184 5.046 -14.340 1.00 3.55 C ATOM 1408 CD2 PHE A 90 -1.638 2.935 -13.328 1.00 51.22 C ATOM 1409 CE1 PHE A 90 0.170 4.859 -14.131 1.00 44.42 C ATOM 1410 CE2 PHE A 90 -0.286 2.743 -13.116 1.00 45.53 C ATOM 1411 CZ PHE A 90 0.619 3.705 -13.520 1.00 41.13 C ATOM 0 H PHE A 90 -5.638 4.539 -15.503 1.00 11.42 H new ATOM 0 HA PHE A 90 -3.548 2.611 -15.506 1.00 4.10 H new ATOM 0 HB2 PHE A 90 -3.716 5.183 -14.786 1.00 55.01 H new ATOM 0 HB3 PHE A 90 -4.057 4.490 -13.213 1.00 55.01 H new ATOM 0 HD1 PHE A 90 -1.530 5.950 -14.819 1.00 3.55 H new ATOM 0 HD2 PHE A 90 -2.341 2.178 -13.012 1.00 51.22 H new ATOM 0 HE1 PHE A 90 0.875 5.614 -14.445 1.00 44.42 H new ATOM 0 HE2 PHE A 90 0.063 1.841 -12.635 1.00 45.53 H new ATOM 0 HZ PHE A 90 1.676 3.555 -13.358 1.00 41.13 H new ATOM 1421 N ALA A 91 -5.685 2.504 -12.976 1.00 71.30 N ATOM 1422 CA ALA A 91 -6.210 1.640 -11.926 1.00 22.30 C ATOM 1423 C ALA A 91 -6.692 0.311 -12.497 1.00 63.14 C ATOM 1424 O ALA A 91 -6.458 -0.749 -11.916 1.00 62.53 O ATOM 1425 CB ALA A 91 -7.341 2.339 -11.183 1.00 54.53 C ATOM 0 H ALA A 91 -6.125 3.423 -13.025 1.00 71.30 H new ATOM 0 HA ALA A 91 -5.402 1.432 -11.224 1.00 22.30 H new ATOM 0 HB1 ALA A 91 -7.724 1.682 -10.402 1.00 54.53 H new ATOM 0 HB2 ALA A 91 -6.967 3.259 -10.733 1.00 54.53 H new ATOM 0 HB3 ALA A 91 -8.143 2.577 -11.882 1.00 54.53 H new ATOM 1431 N VAL A 92 -7.368 0.375 -13.641 1.00 34.12 N ATOM 1432 CA VAL A 92 -7.883 -0.825 -14.292 1.00 60.53 C ATOM 1433 C VAL A 92 -6.753 -1.652 -14.893 1.00 32.20 C ATOM 1434 O VAL A 92 -6.675 -2.862 -14.680 1.00 31.21 O ATOM 1435 CB VAL A 92 -8.892 -0.472 -15.401 1.00 64.55 C ATOM 1436 CG1 VAL A 92 -9.522 -1.732 -15.971 1.00 20.43 C ATOM 1437 CG2 VAL A 92 -9.958 0.475 -14.870 1.00 32.21 C ATOM 0 H VAL A 92 -7.571 1.244 -14.135 1.00 34.12 H new ATOM 0 HA VAL A 92 -8.388 -1.410 -13.524 1.00 60.53 H new ATOM 0 HB VAL A 92 -8.358 0.034 -16.206 1.00 64.55 H new ATOM 0 HG11 VAL A 92 -10.232 -1.462 -16.753 1.00 20.43 H new ATOM 0 HG12 VAL A 92 -8.744 -2.370 -16.391 1.00 20.43 H new ATOM 0 HG13 VAL A 92 -10.042 -2.269 -15.178 1.00 20.43 H new ATOM 0 HG21 VAL A 92 -10.662 0.714 -15.667 1.00 32.21 H new ATOM 0 HG22 VAL A 92 -10.490 -0.001 -14.046 1.00 32.21 H new ATOM 0 HG23 VAL A 92 -9.487 1.392 -14.516 1.00 32.21 H new ATOM 1447 N ALA A 93 -5.878 -0.992 -15.644 1.00 75.43 N ATOM 1448 CA ALA A 93 -4.750 -1.666 -16.274 1.00 62.54 C ATOM 1449 C ALA A 93 -3.894 -2.388 -15.238 1.00 71.04 C ATOM 1450 O ALA A 93 -3.174 -3.332 -15.562 1.00 43.41 O ATOM 1451 CB ALA A 93 -3.907 -0.667 -17.054 1.00 50.11 C ATOM 0 H ALA A 93 -5.929 0.009 -15.831 1.00 75.43 H new ATOM 0 HA ALA A 93 -5.143 -2.411 -16.965 1.00 62.54 H new ATOM 0 HB1 ALA A 93 -3.068 -1.184 -17.519 1.00 50.11 H new ATOM 0 HB2 ALA A 93 -4.518 -0.199 -17.826 1.00 50.11 H new ATOM 0 HB3 ALA A 93 -3.530 0.099 -16.376 1.00 50.11 H new ATOM 1457 N GLY A 94 -3.977 -1.938 -13.990 1.00 71.22 N ATOM 1458 CA GLY A 94 -3.204 -2.552 -12.927 1.00 3.22 C ATOM 1459 C GLY A 94 -4.018 -3.542 -12.117 1.00 60.41 C ATOM 1460 O GLY A 94 -3.789 -4.750 -12.187 1.00 3.12 O ATOM 0 H GLY A 94 -4.566 -1.159 -13.696 1.00 71.22 H new ATOM 0 HA2 GLY A 94 -2.341 -3.061 -13.357 1.00 3.22 H new ATOM 0 HA3 GLY A 94 -2.820 -1.775 -12.266 1.00 3.22 H new ATOM 1464 N LEU A 95 -4.969 -3.030 -11.342 1.00 63.44 N ATOM 1465 CA LEU A 95 -5.819 -3.877 -10.513 1.00 54.44 C ATOM 1466 C LEU A 95 -6.598 -4.872 -11.369 1.00 70.54 C ATOM 1467 O LEU A 95 -6.614 -6.070 -11.087 1.00 32.33 O ATOM 1468 CB LEU A 95 -6.788 -3.019 -9.699 1.00 61.44 C ATOM 1469 CG LEU A 95 -6.199 -2.323 -8.471 1.00 63.02 C ATOM 1470 CD1 LEU A 95 -5.558 -3.338 -7.539 1.00 34.51 C ATOM 1471 CD2 LEU A 95 -5.188 -1.266 -8.891 1.00 54.42 C ATOM 0 H LEU A 95 -5.170 -2.033 -11.271 1.00 63.44 H new ATOM 0 HA LEU A 95 -5.178 -4.436 -9.832 1.00 54.44 H new ATOM 0 HB2 LEU A 95 -7.208 -2.258 -10.356 1.00 61.44 H new ATOM 0 HB3 LEU A 95 -7.615 -3.650 -9.373 1.00 61.44 H new ATOM 0 HG LEU A 95 -7.008 -1.829 -7.934 1.00 63.02 H new ATOM 0 HD11 LEU A 95 -5.144 -2.825 -6.671 1.00 34.51 H new ATOM 0 HD12 LEU A 95 -6.309 -4.057 -7.212 1.00 34.51 H new ATOM 0 HD13 LEU A 95 -4.760 -3.862 -8.065 1.00 34.51 H new ATOM 0 HD21 LEU A 95 -4.779 -0.781 -8.005 1.00 54.42 H new ATOM 0 HD22 LEU A 95 -4.381 -1.737 -9.452 1.00 54.42 H new ATOM 0 HD23 LEU A 95 -5.679 -0.522 -9.518 1.00 54.42 H new ATOM 1483 N LEU A 96 -7.239 -4.366 -12.416 1.00 52.14 N ATOM 1484 CA LEU A 96 -8.018 -5.210 -13.316 1.00 43.50 C ATOM 1485 C LEU A 96 -7.112 -5.922 -14.315 1.00 41.43 C ATOM 1486 O LEU A 96 -7.578 -6.705 -15.142 1.00 14.52 O ATOM 1487 CB LEU A 96 -9.058 -4.372 -14.061 1.00 21.32 C ATOM 1488 CG LEU A 96 -10.509 -4.549 -13.613 1.00 14.10 C ATOM 1489 CD1 LEU A 96 -11.014 -5.937 -13.977 1.00 24.42 C ATOM 1490 CD2 LEU A 96 -10.638 -4.308 -12.115 1.00 45.41 C ATOM 0 H LEU A 96 -7.235 -3.376 -12.663 1.00 52.14 H new ATOM 0 HA LEU A 96 -8.529 -5.963 -12.716 1.00 43.50 H new ATOM 0 HB2 LEU A 96 -8.792 -3.320 -13.955 1.00 21.32 H new ATOM 0 HB3 LEU A 96 -8.995 -4.611 -15.123 1.00 21.32 H new ATOM 0 HG LEU A 96 -11.122 -3.813 -14.133 1.00 14.10 H new ATOM 0 HD11 LEU A 96 -12.048 -6.045 -13.651 1.00 24.42 H new ATOM 0 HD12 LEU A 96 -10.958 -6.073 -15.057 1.00 24.42 H new ATOM 0 HD13 LEU A 96 -10.398 -6.689 -13.485 1.00 24.42 H new ATOM 0 HD21 LEU A 96 -11.677 -4.438 -11.814 1.00 45.41 H new ATOM 0 HD22 LEU A 96 -10.012 -5.020 -11.577 1.00 45.41 H new ATOM 0 HD23 LEU A 96 -10.317 -3.293 -11.881 1.00 45.41 H new ATOM 1502 N ASN A 97 -5.815 -5.646 -14.232 1.00 74.02 N ATOM 1503 CA ASN A 97 -4.843 -6.262 -15.128 1.00 55.23 C ATOM 1504 C ASN A 97 -5.227 -6.033 -16.586 1.00 53.33 C ATOM 1505 O ASN A 97 -5.155 -6.947 -17.408 1.00 53.13 O ATOM 1506 CB ASN A 97 -4.737 -7.762 -14.846 1.00 14.23 C ATOM 1507 CG ASN A 97 -3.324 -8.285 -15.018 1.00 32.43 C ATOM 1508 OD1 ASN A 97 -2.356 -7.626 -14.636 1.00 44.52 O ATOM 1509 ND2 ASN A 97 -3.199 -9.474 -15.595 1.00 13.14 N ATOM 0 H ASN A 97 -5.412 -5.000 -13.553 1.00 74.02 H new ATOM 0 HA ASN A 97 -3.874 -5.796 -14.948 1.00 55.23 H new ATOM 0 HB2 ASN A 97 -5.074 -7.962 -13.829 1.00 14.23 H new ATOM 0 HB3 ASN A 97 -5.406 -8.303 -15.516 1.00 14.23 H new ATOM 0 HD21 ASN A 97 -2.273 -9.877 -15.737 1.00 13.14 H new ATOM 0 HD22 ASN A 97 -4.029 -9.985 -15.896 1.00 13.14 H new ATOM 1516 N MET A 98 -5.635 -4.809 -16.900 1.00 61.33 N ATOM 1517 CA MET A 98 -6.028 -4.459 -18.260 1.00 44.14 C ATOM 1518 C MET A 98 -7.266 -5.243 -18.686 1.00 41.45 C ATOM 1519 O MET A 98 -7.198 -6.449 -18.925 1.00 11.42 O ATOM 1520 CB MET A 98 -4.878 -4.730 -19.233 1.00 32.34 C ATOM 1521 CG MET A 98 -5.080 -4.103 -20.602 1.00 54.41 C ATOM 1522 SD MET A 98 -5.549 -5.311 -21.857 1.00 72.21 S ATOM 1523 CE MET A 98 -4.140 -6.416 -21.805 1.00 54.21 C ATOM 0 H MET A 98 -5.702 -4.042 -16.231 1.00 61.33 H new ATOM 0 HA MET A 98 -6.267 -3.396 -18.280 1.00 44.14 H new ATOM 0 HB2 MET A 98 -3.951 -4.351 -18.802 1.00 32.34 H new ATOM 0 HB3 MET A 98 -4.758 -5.807 -19.350 1.00 32.34 H new ATOM 0 HG2 MET A 98 -5.851 -3.336 -20.536 1.00 54.41 H new ATOM 0 HG3 MET A 98 -4.160 -3.605 -20.908 1.00 54.41 H new ATOM 0 HE1 MET A 98 -3.835 -6.665 -22.821 1.00 54.21 H new ATOM 0 HE2 MET A 98 -3.314 -5.928 -21.287 1.00 54.21 H new ATOM 0 HE3 MET A 98 -4.413 -7.328 -21.275 1.00 54.21 H new ATOM 1533 N THR A 99 -8.396 -4.550 -18.781 1.00 24.13 N ATOM 1534 CA THR A 99 -9.648 -5.181 -19.176 1.00 3.23 C ATOM 1535 C THR A 99 -10.330 -4.398 -20.294 1.00 34.23 C ATOM 1536 O THR A 99 -11.542 -4.496 -20.483 1.00 3.42 O ATOM 1537 CB THR A 99 -10.618 -5.302 -17.985 1.00 11.24 C ATOM 1538 OG1 THR A 99 -10.658 -4.069 -17.258 1.00 73.53 O ATOM 1539 CG2 THR A 99 -10.195 -6.431 -17.056 1.00 64.25 C ATOM 0 H THR A 99 -8.469 -3.551 -18.590 1.00 24.13 H new ATOM 0 HA THR A 99 -9.398 -6.180 -19.534 1.00 3.23 H new ATOM 0 HB THR A 99 -11.611 -5.525 -18.375 1.00 11.24 H new ATOM 0 HG1 THR A 99 -11.278 -4.154 -16.504 1.00 73.53 H new ATOM 0 HG21 THR A 99 -10.894 -6.498 -16.223 1.00 64.25 H new ATOM 0 HG22 THR A 99 -10.194 -7.373 -17.605 1.00 64.25 H new ATOM 0 HG23 THR A 99 -9.194 -6.232 -16.674 1.00 64.25 H new ATOM 1547 N VAL A 100 -9.543 -3.621 -21.031 1.00 54.10 N ATOM 1548 CA VAL A 100 -10.069 -2.823 -22.131 1.00 25.05 C ATOM 1549 C VAL A 100 -9.108 -2.813 -23.313 1.00 75.44 C ATOM 1550 O VAL A 100 -8.074 -3.481 -23.290 1.00 63.24 O ATOM 1551 CB VAL A 100 -10.342 -1.372 -21.691 1.00 54.34 C ATOM 1552 CG1 VAL A 100 -11.405 -1.334 -20.604 1.00 23.30 C ATOM 1553 CG2 VAL A 100 -9.057 -0.710 -21.216 1.00 1.14 C ATOM 0 H VAL A 100 -8.538 -3.527 -20.886 1.00 54.10 H new ATOM 0 HA VAL A 100 -11.008 -3.285 -22.436 1.00 25.05 H new ATOM 0 HB VAL A 100 -10.716 -0.814 -22.550 1.00 54.34 H new ATOM 0 HG11 VAL A 100 -11.584 -0.301 -20.306 1.00 23.30 H new ATOM 0 HG12 VAL A 100 -12.330 -1.768 -20.984 1.00 23.30 H new ATOM 0 HG13 VAL A 100 -11.064 -1.906 -19.741 1.00 23.30 H new ATOM 0 HG21 VAL A 100 -9.267 0.314 -20.909 1.00 1.14 H new ATOM 0 HG22 VAL A 100 -8.652 -1.266 -20.371 1.00 1.14 H new ATOM 0 HG23 VAL A 100 -8.330 -0.703 -22.028 1.00 1.14 H new ATOM 1563 N SER A 101 -9.455 -2.050 -24.344 1.00 41.25 N ATOM 1564 CA SER A 101 -8.623 -1.955 -25.538 1.00 61.24 C ATOM 1565 C SER A 101 -8.016 -0.560 -25.668 1.00 14.54 C ATOM 1566 O SER A 101 -6.964 -0.382 -26.282 1.00 63.14 O ATOM 1567 CB SER A 101 -9.444 -2.284 -26.786 1.00 22.44 C ATOM 1568 OG SER A 101 -9.254 -3.630 -27.182 1.00 51.33 O ATOM 0 H SER A 101 -10.306 -1.489 -24.377 1.00 41.25 H new ATOM 0 HA SER A 101 -7.813 -2.678 -25.444 1.00 61.24 H new ATOM 0 HB2 SER A 101 -10.501 -2.106 -26.587 1.00 22.44 H new ATOM 0 HB3 SER A 101 -9.157 -1.618 -27.600 1.00 22.44 H new ATOM 0 HG SER A 101 -9.791 -3.815 -27.981 1.00 51.33 H new ATOM 1574 N THR A 102 -8.689 0.427 -25.084 1.00 73.15 N ATOM 1575 CA THR A 102 -8.218 1.806 -25.135 1.00 31.12 C ATOM 1576 C THR A 102 -8.425 2.506 -23.797 1.00 3.13 C ATOM 1577 O THR A 102 -9.276 2.108 -23.003 1.00 33.35 O ATOM 1578 CB THR A 102 -8.939 2.605 -26.236 1.00 65.15 C ATOM 1579 OG1 THR A 102 -10.284 2.890 -25.835 1.00 63.24 O ATOM 1580 CG2 THR A 102 -8.948 1.833 -27.547 1.00 44.43 C ATOM 0 H THR A 102 -9.561 0.297 -24.571 1.00 73.15 H new ATOM 0 HA THR A 102 -7.153 1.769 -25.362 1.00 31.12 H new ATOM 0 HB THR A 102 -8.400 3.540 -26.387 1.00 65.15 H new ATOM 0 HG1 THR A 102 -10.735 3.400 -26.540 1.00 63.24 H new ATOM 0 HG21 THR A 102 -9.463 2.417 -28.310 1.00 44.43 H new ATOM 0 HG22 THR A 102 -7.923 1.644 -27.865 1.00 44.43 H new ATOM 0 HG23 THR A 102 -9.465 0.884 -27.407 1.00 44.43 H new ATOM 1588 N ALA A 103 -7.642 3.553 -23.555 1.00 33.13 N ATOM 1589 CA ALA A 103 -7.742 4.310 -22.314 1.00 72.21 C ATOM 1590 C ALA A 103 -9.163 4.816 -22.092 1.00 12.13 C ATOM 1591 O ALA A 103 -9.658 4.832 -20.965 1.00 52.11 O ATOM 1592 CB ALA A 103 -6.761 5.474 -22.325 1.00 45.21 C ATOM 0 H ALA A 103 -6.932 3.896 -24.202 1.00 33.13 H new ATOM 0 HA ALA A 103 -7.489 3.643 -21.490 1.00 72.21 H new ATOM 0 HB1 ALA A 103 -6.847 6.031 -21.392 1.00 45.21 H new ATOM 0 HB2 ALA A 103 -5.745 5.093 -22.428 1.00 45.21 H new ATOM 0 HB3 ALA A 103 -6.988 6.133 -23.163 1.00 45.21 H new ATOM 1598 N ALA A 104 -9.814 5.229 -23.174 1.00 25.24 N ATOM 1599 CA ALA A 104 -11.180 5.735 -23.097 1.00 1.42 C ATOM 1600 C ALA A 104 -12.142 4.648 -22.630 1.00 1.35 C ATOM 1601 O ALA A 104 -12.942 4.863 -21.720 1.00 62.22 O ATOM 1602 CB ALA A 104 -11.616 6.283 -24.448 1.00 72.23 C ATOM 0 H ALA A 104 -9.418 5.223 -24.114 1.00 25.24 H new ATOM 0 HA ALA A 104 -11.202 6.542 -22.365 1.00 1.42 H new ATOM 0 HB1 ALA A 104 -12.637 6.657 -24.376 1.00 72.23 H new ATOM 0 HB2 ALA A 104 -10.952 7.095 -24.743 1.00 72.23 H new ATOM 0 HB3 ALA A 104 -11.572 5.489 -25.194 1.00 72.23 H new ATOM 1608 N ALA A 105 -12.059 3.480 -23.259 1.00 52.30 N ATOM 1609 CA ALA A 105 -12.921 2.360 -22.906 1.00 2.31 C ATOM 1610 C ALA A 105 -12.830 2.044 -21.417 1.00 3.13 C ATOM 1611 O ALA A 105 -13.843 1.798 -20.762 1.00 2.15 O ATOM 1612 CB ALA A 105 -12.557 1.133 -23.730 1.00 5.23 C ATOM 0 H ALA A 105 -11.403 3.285 -24.016 1.00 52.30 H new ATOM 0 HA ALA A 105 -13.950 2.642 -23.129 1.00 2.31 H new ATOM 0 HB1 ALA A 105 -13.209 0.304 -23.456 1.00 5.23 H new ATOM 0 HB2 ALA A 105 -12.681 1.357 -24.790 1.00 5.23 H new ATOM 0 HB3 ALA A 105 -11.520 0.859 -23.536 1.00 5.23 H new ATOM 1618 N ALA A 106 -11.612 2.054 -20.888 1.00 32.13 N ATOM 1619 CA ALA A 106 -11.389 1.771 -19.475 1.00 24.13 C ATOM 1620 C ALA A 106 -11.989 2.862 -18.596 1.00 23.31 C ATOM 1621 O ALA A 106 -12.485 2.589 -17.503 1.00 4.31 O ATOM 1622 CB ALA A 106 -9.901 1.622 -19.195 1.00 24.22 C ATOM 0 H ALA A 106 -10.763 2.255 -21.417 1.00 32.13 H new ATOM 0 HA ALA A 106 -11.888 0.832 -19.234 1.00 24.13 H new ATOM 0 HB1 ALA A 106 -9.749 1.411 -18.136 1.00 24.22 H new ATOM 0 HB2 ALA A 106 -9.499 0.802 -19.790 1.00 24.22 H new ATOM 0 HB3 ALA A 106 -9.387 2.546 -19.458 1.00 24.22 H new ATOM 1628 N GLU A 107 -11.938 4.100 -19.079 1.00 23.30 N ATOM 1629 CA GLU A 107 -12.476 5.232 -18.334 1.00 20.34 C ATOM 1630 C GLU A 107 -13.985 5.098 -18.154 1.00 25.23 C ATOM 1631 O GLU A 107 -14.498 5.176 -17.039 1.00 14.13 O ATOM 1632 CB GLU A 107 -12.151 6.544 -19.052 1.00 31.00 C ATOM 1633 CG GLU A 107 -12.851 7.754 -18.456 1.00 13.12 C ATOM 1634 CD GLU A 107 -13.861 8.370 -19.405 1.00 73.12 C ATOM 1635 OE1 GLU A 107 -13.435 9.018 -20.384 1.00 75.25 O ATOM 1636 OE2 GLU A 107 -15.075 8.204 -19.169 1.00 60.41 O ATOM 0 H GLU A 107 -11.530 4.344 -19.982 1.00 23.30 H new ATOM 0 HA GLU A 107 -12.010 5.240 -17.349 1.00 20.34 H new ATOM 0 HB2 GLU A 107 -11.074 6.707 -19.023 1.00 31.00 H new ATOM 0 HB3 GLU A 107 -12.431 6.453 -20.101 1.00 31.00 H new ATOM 0 HG2 GLU A 107 -13.355 7.460 -17.535 1.00 13.12 H new ATOM 0 HG3 GLU A 107 -12.107 8.504 -18.187 1.00 13.12 H new ATOM 1643 N ASN A 108 -14.692 4.898 -19.263 1.00 21.51 N ATOM 1644 CA ASN A 108 -16.143 4.755 -19.228 1.00 62.04 C ATOM 1645 C ASN A 108 -16.553 3.580 -18.345 1.00 64.54 C ATOM 1646 O ASN A 108 -17.537 3.658 -17.610 1.00 34.41 O ATOM 1647 CB ASN A 108 -16.690 4.558 -20.644 1.00 73.43 C ATOM 1648 CG ASN A 108 -17.777 5.557 -20.987 1.00 24.40 C ATOM 1649 OD1 ASN A 108 -18.872 5.519 -20.424 1.00 43.52 O ATOM 1650 ND2 ASN A 108 -17.480 6.460 -21.914 1.00 63.10 N ATOM 0 H ASN A 108 -14.284 4.831 -20.195 1.00 21.51 H new ATOM 0 HA ASN A 108 -16.563 5.668 -18.806 1.00 62.04 H new ATOM 0 HB2 ASN A 108 -15.875 4.651 -21.362 1.00 73.43 H new ATOM 0 HB3 ASN A 108 -17.086 3.547 -20.740 1.00 73.43 H new ATOM 0 HD21 ASN A 108 -18.172 7.159 -22.185 1.00 63.10 H new ATOM 0 HD22 ASN A 108 -16.560 6.455 -22.355 1.00 63.10 H new ATOM 1657 N MET A 109 -15.791 2.494 -18.422 1.00 61.04 N ATOM 1658 CA MET A 109 -16.074 1.304 -17.628 1.00 61.53 C ATOM 1659 C MET A 109 -15.793 1.558 -16.151 1.00 10.33 C ATOM 1660 O MET A 109 -16.590 1.192 -15.286 1.00 55.25 O ATOM 1661 CB MET A 109 -15.237 0.124 -18.124 1.00 53.01 C ATOM 1662 CG MET A 109 -15.555 -1.185 -17.419 1.00 72.44 C ATOM 1663 SD MET A 109 -14.075 -2.137 -17.023 1.00 15.14 S ATOM 1664 CE MET A 109 -13.601 -1.395 -15.464 1.00 21.01 C ATOM 0 H MET A 109 -14.973 2.413 -19.026 1.00 61.04 H new ATOM 0 HA MET A 109 -17.131 1.063 -17.742 1.00 61.53 H new ATOM 0 HB2 MET A 109 -15.398 -0.001 -19.195 1.00 53.01 H new ATOM 0 HB3 MET A 109 -14.181 0.355 -17.986 1.00 53.01 H new ATOM 0 HG2 MET A 109 -16.104 -0.975 -16.501 1.00 72.44 H new ATOM 0 HG3 MET A 109 -16.210 -1.784 -18.052 1.00 72.44 H new ATOM 0 HE1 MET A 109 -12.699 -1.879 -15.090 1.00 21.01 H new ATOM 0 HE2 MET A 109 -13.409 -0.332 -15.610 1.00 21.01 H new ATOM 0 HE3 MET A 109 -14.407 -1.522 -14.741 1.00 21.01 H new ATOM 1674 N TYR A 110 -14.656 2.185 -15.868 1.00 3.45 N ATOM 1675 CA TYR A 110 -14.270 2.484 -14.494 1.00 12.11 C ATOM 1676 C TYR A 110 -15.379 3.238 -13.768 1.00 4.33 C ATOM 1677 O TYR A 110 -15.676 2.961 -12.605 1.00 10.41 O ATOM 1678 CB TYR A 110 -12.981 3.307 -14.473 1.00 32.04 C ATOM 1679 CG TYR A 110 -12.619 3.830 -13.101 1.00 32.24 C ATOM 1680 CD1 TYR A 110 -13.126 5.039 -12.642 1.00 20.32 C ATOM 1681 CD2 TYR A 110 -11.770 3.115 -12.265 1.00 32.02 C ATOM 1682 CE1 TYR A 110 -12.797 5.522 -11.389 1.00 10.55 C ATOM 1683 CE2 TYR A 110 -11.437 3.589 -11.011 1.00 23.53 C ATOM 1684 CZ TYR A 110 -11.954 4.793 -10.578 1.00 34.44 C ATOM 1685 OH TYR A 110 -11.623 5.269 -9.329 1.00 3.43 O ATOM 0 H TYR A 110 -13.986 2.496 -16.572 1.00 3.45 H new ATOM 0 HA TYR A 110 -14.100 1.539 -13.977 1.00 12.11 H new ATOM 0 HB2 TYR A 110 -12.162 2.693 -14.846 1.00 32.04 H new ATOM 0 HB3 TYR A 110 -13.086 4.149 -15.157 1.00 32.04 H new ATOM 0 HD1 TYR A 110 -13.788 5.611 -13.275 1.00 20.32 H new ATOM 0 HD2 TYR A 110 -11.364 2.173 -12.601 1.00 32.02 H new ATOM 0 HE1 TYR A 110 -13.198 6.465 -11.048 1.00 10.55 H new ATOM 0 HE2 TYR A 110 -10.776 3.021 -10.373 1.00 23.53 H new ATOM 0 HH TYR A 110 -11.021 4.635 -8.886 1.00 3.43 H new ATOM 1695 N SER A 111 -15.990 4.192 -14.462 1.00 4.11 N ATOM 1696 CA SER A 111 -17.066 4.989 -13.884 1.00 40.22 C ATOM 1697 C SER A 111 -18.400 4.257 -13.986 1.00 41.20 C ATOM 1698 O SER A 111 -19.253 4.373 -13.106 1.00 50.32 O ATOM 1699 CB SER A 111 -17.159 6.345 -14.587 1.00 4.41 C ATOM 1700 OG SER A 111 -17.512 6.188 -15.951 1.00 41.02 O ATOM 0 H SER A 111 -15.758 4.432 -15.426 1.00 4.11 H new ATOM 0 HA SER A 111 -16.840 5.149 -12.830 1.00 40.22 H new ATOM 0 HB2 SER A 111 -17.899 6.968 -14.086 1.00 4.41 H new ATOM 0 HB3 SER A 111 -16.203 6.863 -14.513 1.00 4.41 H new ATOM 0 HG SER A 111 -17.566 7.068 -16.378 1.00 41.02 H new ATOM 1706 N GLN A 112 -18.573 3.504 -15.067 1.00 41.11 N ATOM 1707 CA GLN A 112 -19.804 2.753 -15.286 1.00 70.42 C ATOM 1708 C GLN A 112 -19.998 1.698 -14.202 1.00 0.23 C ATOM 1709 O GLN A 112 -21.125 1.309 -13.896 1.00 51.41 O ATOM 1710 CB GLN A 112 -19.783 2.088 -16.664 1.00 14.34 C ATOM 1711 CG GLN A 112 -20.996 1.213 -16.936 1.00 63.42 C ATOM 1712 CD GLN A 112 -21.009 0.655 -18.346 1.00 32.43 C ATOM 1713 OE1 GLN A 112 -21.034 1.404 -19.322 1.00 63.34 O ATOM 1714 NE2 GLN A 112 -20.992 -0.668 -18.459 1.00 32.43 N ATOM 0 H GLN A 112 -17.877 3.397 -15.805 1.00 41.11 H new ATOM 0 HA GLN A 112 -20.639 3.452 -15.241 1.00 70.42 H new ATOM 0 HB2 GLN A 112 -19.724 2.861 -17.430 1.00 14.34 H new ATOM 0 HB3 GLN A 112 -18.881 1.482 -16.752 1.00 14.34 H new ATOM 0 HG2 GLN A 112 -21.012 0.389 -16.223 1.00 63.42 H new ATOM 0 HG3 GLN A 112 -21.903 1.795 -16.771 1.00 63.42 H new ATOM 0 HE21 GLN A 112 -20.971 -1.251 -17.622 1.00 32.43 H new ATOM 0 HE22 GLN A 112 -21.000 -1.101 -19.382 1.00 32.43 H new ATOM 1723 N MET A 113 -18.892 1.240 -13.624 1.00 60.03 N ATOM 1724 CA MET A 113 -18.942 0.231 -12.573 1.00 54.41 C ATOM 1725 C MET A 113 -19.258 0.866 -11.223 1.00 1.31 C ATOM 1726 O MET A 113 -19.724 0.193 -10.304 1.00 60.31 O ATOM 1727 CB MET A 113 -17.612 -0.522 -12.496 1.00 73.34 C ATOM 1728 CG MET A 113 -17.680 -1.936 -13.050 1.00 62.23 C ATOM 1729 SD MET A 113 -17.911 -3.176 -11.762 1.00 71.52 S ATOM 1730 CE MET A 113 -16.211 -3.622 -11.413 1.00 41.31 C ATOM 0 H MET A 113 -17.951 1.552 -13.866 1.00 60.03 H new ATOM 0 HA MET A 113 -19.737 -0.473 -12.818 1.00 54.41 H new ATOM 0 HB2 MET A 113 -16.855 0.038 -13.045 1.00 73.34 H new ATOM 0 HB3 MET A 113 -17.287 -0.563 -11.456 1.00 73.34 H new ATOM 0 HG2 MET A 113 -18.500 -2.003 -13.765 1.00 62.23 H new ATOM 0 HG3 MET A 113 -16.762 -2.152 -13.597 1.00 62.23 H new ATOM 0 HE1 MET A 113 -16.187 -4.383 -10.633 1.00 41.31 H new ATOM 0 HE2 MET A 113 -15.745 -4.014 -12.317 1.00 41.31 H new ATOM 0 HE3 MET A 113 -15.665 -2.740 -11.076 1.00 41.31 H new ATOM 1740 N GLY A 114 -19.004 2.166 -11.112 1.00 72.14 N ATOM 1741 CA GLY A 114 -19.268 2.869 -9.871 1.00 23.31 C ATOM 1742 C GLY A 114 -17.998 3.219 -9.120 1.00 11.31 C ATOM 1743 O GLY A 114 -18.016 3.392 -7.901 1.00 32.14 O ATOM 0 H GLY A 114 -18.620 2.745 -11.859 1.00 72.14 H new ATOM 0 HA2 GLY A 114 -19.823 3.782 -10.086 1.00 23.31 H new ATOM 0 HA3 GLY A 114 -19.903 2.252 -9.236 1.00 23.31 H new