USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1055 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 98 SER OG : rot 39:sc= 0.888 USER MOD Set 1.2: A 104 LYS NZ :NH3+ 177:sc= 1.8 (180deg=1.21) USER MOD Set 2.1: A -5 TYR OH : rot 180:sc= 0.724 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 138:sc= 0.825 (180deg=0) USER MOD Set 3.1: A 84 SER OG : rot 44:sc= 0.407 USER MOD Set 3.2: A 85 ASN : amide:sc= 0.434 K(o=0.84,f=0) USER MOD Set 4.1: A 77 GLN : amide:sc= 0.921 K(o=1.6,f=-0.19) USER MOD Set 4.2: A 79 HIS : no HE2:sc= 0.713 K(o=1.6,f=-1.5) USER MOD Set 5.1: A 65 GLN : amide:sc= 0.749 K(o=0.75,f=-0.011) USER MOD Set 5.2: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 28 SER OG : rot 44:sc= 0.0959 USER MOD Set 6.2: A 30 GLN : amide:sc= 0 X(o=0.096,f=-0.32) USER MOD Single : A 0 MET CE :methyl 179:sc= 0 (180deg=-0.00113) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.081 X(o=0.081,f=-0.17) USER MOD Single : A 12 MET CE :methyl -168:sc=-0.00631 (180deg=-0.196) USER MOD Single : A 13 SER OG : rot 43:sc= 0.0152 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -42:sc= 0.00042 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -69:sc= 1.22 USER MOD Single : A 50 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.979) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 141:sc= 0.517 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 56 MET CE :methyl 168:sc= 0 (180deg=-0.121) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.19) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 176:sc= 0.109 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.12) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0.991) USER MOD Single : A 78 GLN : amide:sc= 0.402 K(o=0.4,f=-3.1!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0.066 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ 144:sc= 0.00656 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.731 K(o=-0.73,f=-1.5) USER MOD Single : A 106 TYR OH : rot -1:sc= 1.27 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -113:sc= -0.0847 (180deg=-0.333) USER MOD Single : A 109 MET CE :methyl -146:sc= -0.0438 (180deg=-0.737) USER MOD Single : A 111 SER OG : rot 77:sc= 0.421 USER MOD Single : A 112 MET CE :methyl -168:sc= -0.21 (180deg=-0.512) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0.311 K(o=0.31,f=-3.4!) USER MOD Single : A 118 MET CE :methyl 174:sc= 0 (180deg=-0.0344) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 5.758 -2.205 18.143 1.00 0.00 N ATOM 2 CA MET A -11 5.301 -2.478 16.755 1.00 0.00 C ATOM 3 C MET A -11 3.767 -2.512 16.698 1.00 0.00 C ATOM 4 O MET A -11 3.159 -3.157 17.556 1.00 0.00 O ATOM 5 CB MET A -11 5.904 -3.797 16.225 1.00 0.00 C ATOM 6 CG MET A -11 5.583 -4.068 14.746 1.00 0.00 C ATOM 7 SD MET A -11 6.215 -5.643 14.100 1.00 0.00 S ATOM 8 CE MET A -11 5.013 -6.795 14.824 1.00 0.00 C ATOM 0 H1 MET A -11 6.628 -2.742 18.334 1.00 0.00 H new ATOM 0 H2 MET A -11 5.948 -1.188 18.252 1.00 0.00 H new ATOM 0 H3 MET A -11 5.019 -2.493 18.815 1.00 0.00 H new ATOM 0 HA MET A -11 5.652 -1.672 16.111 1.00 0.00 H new ATOM 0 HB2 MET A -11 6.986 -3.770 16.355 1.00 0.00 H new ATOM 0 HB3 MET A -11 5.531 -4.625 16.827 1.00 0.00 H new ATOM 0 HG2 MET A -11 4.501 -4.047 14.615 1.00 0.00 H new ATOM 0 HG3 MET A -11 5.993 -3.256 14.146 1.00 0.00 H new ATOM 0 HE1 MET A -11 5.259 -7.814 14.523 1.00 0.00 H new ATOM 0 HE2 MET A -11 5.046 -6.719 15.911 1.00 0.00 H new ATOM 0 HE3 MET A -11 4.012 -6.545 14.473 1.00 0.00 H new ATOM 20 N PRO A -10 3.118 -1.842 15.724 1.00 0.00 N ATOM 21 CA PRO A -10 1.662 -1.888 15.559 1.00 0.00 C ATOM 22 C PRO A -10 1.166 -3.269 15.095 1.00 0.00 C ATOM 23 O PRO A -10 1.865 -3.997 14.385 1.00 0.00 O ATOM 24 CB PRO A -10 1.338 -0.797 14.532 1.00 0.00 C ATOM 25 CG PRO A -10 2.595 -0.755 13.665 1.00 0.00 C ATOM 26 CD PRO A -10 3.709 -1.006 14.681 1.00 0.00 C ATOM 0 HA PRO A -10 1.154 -1.717 16.508 1.00 0.00 H new ATOM 0 HB2 PRO A -10 0.452 -1.044 13.947 1.00 0.00 H new ATOM 0 HB3 PRO A -10 1.146 0.163 15.011 1.00 0.00 H new ATOM 0 HG2 PRO A -10 2.576 -1.518 12.887 1.00 0.00 H new ATOM 0 HG3 PRO A -10 2.711 0.207 13.165 1.00 0.00 H new ATOM 0 HD2 PRO A -10 4.558 -1.505 14.214 1.00 0.00 H new ATOM 0 HD3 PRO A -10 4.079 -0.068 15.095 1.00 0.00 H new ATOM 34 N ARG A -9 -0.089 -3.596 15.427 1.00 0.00 N ATOM 35 CA ARG A -9 -0.809 -4.791 14.940 1.00 0.00 C ATOM 36 C ARG A -9 -1.012 -4.761 13.420 1.00 0.00 C ATOM 37 O ARG A -9 -1.111 -5.817 12.796 1.00 0.00 O ATOM 38 CB ARG A -9 -2.168 -4.923 15.658 1.00 0.00 C ATOM 39 CG ARG A -9 -2.060 -4.996 17.191 1.00 0.00 C ATOM 40 CD ARG A -9 -3.424 -5.204 17.874 1.00 0.00 C ATOM 41 NE ARG A -9 -4.366 -4.075 17.680 1.00 0.00 N ATOM 42 CZ ARG A -9 -4.412 -2.941 18.363 1.00 0.00 C ATOM 43 NH1 ARG A -9 -3.520 -2.638 19.263 1.00 0.00 N ATOM 44 NH2 ARG A -9 -5.363 -2.073 18.163 1.00 0.00 N ATOM 0 H ARG A -9 -0.651 -3.025 16.058 1.00 0.00 H new ATOM 0 HA ARG A -9 -0.193 -5.661 15.169 1.00 0.00 H new ATOM 0 HB2 ARG A -9 -2.794 -4.073 15.388 1.00 0.00 H new ATOM 0 HB3 ARG A -9 -2.673 -5.819 15.296 1.00 0.00 H new ATOM 0 HG2 ARG A -9 -1.393 -5.813 17.466 1.00 0.00 H new ATOM 0 HG3 ARG A -9 -1.608 -4.077 17.563 1.00 0.00 H new ATOM 0 HD2 ARG A -9 -3.879 -6.116 17.487 1.00 0.00 H new ATOM 0 HD3 ARG A -9 -3.266 -5.355 18.942 1.00 0.00 H new ATOM 0 HE ARG A -9 -5.056 -4.184 16.937 1.00 0.00 H new ATOM 0 HH11 ARG A -9 -2.755 -3.283 19.460 1.00 0.00 H new ATOM 0 HH12 ARG A -9 -3.587 -1.755 19.770 1.00 0.00 H new ATOM 0 HH21 ARG A -9 -6.088 -2.262 17.471 1.00 0.00 H new ATOM 0 HH22 ARG A -9 -5.382 -1.205 18.698 1.00 0.00 H new ATOM 58 N PHE A -8 -1.008 -3.566 12.817 1.00 0.00 N ATOM 59 CA PHE A -8 -1.033 -3.374 11.365 1.00 0.00 C ATOM 60 C PHE A -8 -0.067 -4.244 10.550 1.00 0.00 C ATOM 61 O PHE A -8 -0.479 -4.892 9.588 1.00 0.00 O ATOM 62 CB PHE A -8 -0.935 -1.884 10.989 1.00 0.00 C ATOM 63 CG PHE A -8 -0.596 -1.650 9.527 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.622 -1.639 8.564 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.748 -1.541 9.115 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.305 -1.536 7.199 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.063 -1.445 7.748 1.00 0.00 C ATOM 68 CZ PHE A -8 0.037 -1.446 6.791 1.00 0.00 C ATOM 0 H PHE A -8 -0.987 -2.689 13.337 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.013 -3.746 11.067 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.883 -1.397 11.217 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.176 -1.410 11.610 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.654 -1.710 8.874 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.538 -1.531 9.852 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.094 -1.526 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.094 -1.371 7.435 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.278 -1.378 5.741 1.00 0.00 H new ATOM 78 N TRP A -7 1.210 -4.296 10.954 1.00 0.00 N ATOM 79 CA TRP A -7 2.229 -5.032 10.198 1.00 0.00 C ATOM 80 C TRP A -7 1.999 -6.551 10.193 1.00 0.00 C ATOM 81 O TRP A -7 2.272 -7.203 9.190 1.00 0.00 O ATOM 82 CB TRP A -7 3.641 -4.642 10.651 1.00 0.00 C ATOM 83 CG TRP A -7 4.743 -5.408 9.975 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.373 -6.492 10.485 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.153 -5.350 8.568 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.237 -7.019 9.546 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.124 -6.371 8.335 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.788 -4.555 7.457 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.725 -6.569 7.082 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.382 -4.749 6.194 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.347 -5.752 6.004 1.00 0.00 C ATOM 0 H TRP A -7 1.559 -3.839 11.796 1.00 0.00 H new ATOM 0 HA TRP A -7 2.130 -4.732 9.155 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.788 -3.578 10.466 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.718 -4.792 11.728 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.222 -6.886 11.479 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.879 -7.791 9.726 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.040 -3.785 7.579 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.469 -7.340 6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.093 -4.121 5.364 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.797 -5.894 5.032 1.00 0.00 H new ATOM 102 N GLU A -6 1.413 -7.118 11.252 1.00 0.00 N ATOM 103 CA GLU A -6 1.021 -8.538 11.282 1.00 0.00 C ATOM 104 C GLU A -6 -0.084 -8.845 10.253 1.00 0.00 C ATOM 105 O GLU A -6 -0.003 -9.842 9.531 1.00 0.00 O ATOM 106 CB GLU A -6 0.573 -8.948 12.695 1.00 0.00 C ATOM 107 CG GLU A -6 1.675 -8.736 13.749 1.00 0.00 C ATOM 108 CD GLU A -6 1.334 -9.324 15.137 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.188 -9.776 15.378 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.232 -9.332 16.013 1.00 0.00 O ATOM 0 H GLU A -6 1.196 -6.612 12.111 1.00 0.00 H new ATOM 0 HA GLU A -6 1.898 -9.126 11.010 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.308 -8.371 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.278 -9.997 12.689 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.599 -9.189 13.390 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.863 -7.668 13.854 1.00 0.00 H new ATOM 117 N TYR A -5 -1.076 -7.955 10.122 1.00 0.00 N ATOM 118 CA TYR A -5 -2.065 -7.994 9.038 1.00 0.00 C ATOM 119 C TYR A -5 -1.524 -7.773 7.620 1.00 0.00 C ATOM 120 O TYR A -5 -1.923 -8.447 6.670 1.00 0.00 O ATOM 121 CB TYR A -5 -3.265 -7.087 9.344 1.00 0.00 C ATOM 122 CG TYR A -5 -4.276 -7.691 10.295 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.320 -8.488 9.784 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.180 -7.459 11.681 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.273 -9.043 10.657 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.135 -8.011 12.558 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.188 -8.801 12.046 1.00 0.00 C ATOM 128 OH TYR A -5 -7.130 -9.321 12.882 1.00 0.00 O ATOM 0 H TYR A -5 -1.216 -7.181 10.771 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.398 -9.032 9.020 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.900 -6.151 9.767 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.766 -6.840 8.408 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.388 -8.673 8.722 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.373 -6.857 12.072 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -7.071 -9.655 10.265 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.062 -7.830 13.620 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.926 -9.063 13.805 1.00 0.00 H new ATOM 138 N TRP A -4 -0.585 -6.839 7.478 1.00 0.00 N ATOM 139 CA TRP A -4 0.023 -6.475 6.200 1.00 0.00 C ATOM 140 C TRP A -4 1.007 -7.549 5.708 1.00 0.00 C ATOM 141 O TRP A -4 1.062 -7.832 4.514 1.00 0.00 O ATOM 142 CB TRP A -4 0.715 -5.123 6.382 1.00 0.00 C ATOM 143 CG TRP A -4 1.073 -4.470 5.095 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.219 -4.669 4.409 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.176 -3.780 4.173 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.132 -4.042 3.186 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.881 -3.515 2.965 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.173 -3.369 4.232 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.289 -2.873 1.871 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.776 -2.713 3.142 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.053 -2.466 1.964 1.00 0.00 C ATOM 0 H TRP A -4 -0.218 -6.303 8.265 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.748 -6.402 5.433 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.060 -4.460 6.948 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.619 -5.262 6.975 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.070 -5.231 4.764 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.904 -3.976 2.523 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.750 -3.560 5.125 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.855 -2.693 0.969 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.806 -2.396 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.526 -1.965 1.132 1.00 0.00 H new ATOM 162 N LEU A -3 1.722 -8.233 6.606 1.00 0.00 N ATOM 163 CA LEU A -3 2.551 -9.393 6.267 1.00 0.00 C ATOM 164 C LEU A -3 1.709 -10.564 5.720 1.00 0.00 C ATOM 165 O LEU A -3 2.162 -11.305 4.846 1.00 0.00 O ATOM 166 CB LEU A -3 3.359 -9.796 7.515 1.00 0.00 C ATOM 167 CG LEU A -3 4.478 -10.815 7.236 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.673 -10.135 6.562 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.962 -11.436 8.548 1.00 0.00 C ATOM 0 H LEU A -3 1.742 -7.995 7.598 1.00 0.00 H new ATOM 0 HA LEU A -3 3.237 -9.125 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.799 -8.901 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.678 -10.214 8.256 1.00 0.00 H new ATOM 0 HG LEU A -3 4.072 -11.584 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.453 -10.873 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.355 -9.693 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.063 -9.354 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.754 -12.156 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.346 -10.653 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.131 -11.943 9.039 1.00 0.00 H new ATOM 181 N ARG A -2 0.455 -10.697 6.179 1.00 0.00 N ATOM 182 CA ARG A -2 -0.496 -11.729 5.742 1.00 0.00 C ATOM 183 C ARG A -2 -0.897 -11.566 4.267 1.00 0.00 C ATOM 184 O ARG A -2 -1.195 -12.561 3.610 1.00 0.00 O ATOM 185 CB ARG A -2 -1.711 -11.703 6.687 1.00 0.00 C ATOM 186 CG ARG A -2 -2.463 -13.038 6.744 1.00 0.00 C ATOM 187 CD ARG A -2 -1.751 -14.043 7.665 1.00 0.00 C ATOM 188 NE ARG A -2 -1.658 -15.381 7.060 1.00 0.00 N ATOM 189 CZ ARG A -2 -2.149 -16.524 7.489 1.00 0.00 C ATOM 190 NH1 ARG A -2 -3.049 -16.602 8.426 1.00 0.00 N ATOM 191 NH2 ARG A -2 -1.713 -17.631 6.975 1.00 0.00 N ATOM 0 H ARG A -2 0.064 -10.072 6.884 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.018 -12.707 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.377 -11.439 7.690 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.398 -10.921 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.479 -12.870 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.543 -13.455 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.749 -13.678 7.892 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -2.288 -14.110 8.611 1.00 0.00 H new ATOM 0 HE ARG A -2 -1.139 -15.429 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -3.405 -15.752 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -3.398 -17.513 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -0.998 -17.609 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -2.085 -18.524 7.298 1.00 0.00 H new ATOM 205 N LEU A -1 -0.825 -10.348 3.713 1.00 0.00 N ATOM 206 CA LEU A -1 -0.983 -10.105 2.273 1.00 0.00 C ATOM 207 C LEU A -1 0.112 -10.812 1.466 1.00 0.00 C ATOM 208 O LEU A -1 -0.197 -11.608 0.578 1.00 0.00 O ATOM 209 CB LEU A -1 -0.919 -8.601 1.957 1.00 0.00 C ATOM 210 CG LEU A -1 -2.128 -7.770 2.393 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.766 -6.297 2.253 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.339 -8.036 1.499 1.00 0.00 C ATOM 0 H LEU A -1 -0.655 -9.500 4.254 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.959 -10.502 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.029 -8.188 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.790 -8.481 0.881 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.379 -8.037 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.614 -5.683 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -0.908 -6.071 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.517 -6.081 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.180 -7.430 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.095 -7.777 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.607 -9.091 1.554 1.00 0.00 H new ATOM 224 N MET A 0 1.386 -10.531 1.764 1.00 0.00 N ATOM 225 CA MET A 0 2.504 -11.079 0.989 1.00 0.00 C ATOM 226 C MET A 0 2.719 -12.583 1.251 1.00 0.00 C ATOM 227 O MET A 0 3.144 -13.309 0.352 1.00 0.00 O ATOM 228 CB MET A 0 3.785 -10.257 1.211 1.00 0.00 C ATOM 229 CG MET A 0 4.327 -10.283 2.646 1.00 0.00 C ATOM 230 SD MET A 0 5.926 -9.457 2.854 1.00 0.00 S ATOM 231 CE MET A 0 5.420 -7.720 2.774 1.00 0.00 C ATOM 0 H MET A 0 1.668 -9.927 2.536 1.00 0.00 H new ATOM 0 HA MET A 0 2.241 -10.995 -0.065 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.559 -10.628 0.539 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.589 -9.222 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.599 -9.811 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.423 -11.320 2.967 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.293 -7.080 2.904 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.964 -7.518 1.805 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.698 -7.514 3.565 1.00 0.00 H new ATOM 241 N GLU A 1 2.387 -13.072 2.452 1.00 0.00 N ATOM 242 CA GLU A 1 2.397 -14.497 2.802 1.00 0.00 C ATOM 243 C GLU A 1 1.268 -15.294 2.115 1.00 0.00 C ATOM 244 O GLU A 1 1.492 -16.432 1.691 1.00 0.00 O ATOM 245 CB GLU A 1 2.368 -14.602 4.338 1.00 0.00 C ATOM 246 CG GLU A 1 2.305 -16.031 4.903 1.00 0.00 C ATOM 247 CD GLU A 1 0.886 -16.608 5.076 1.00 0.00 C ATOM 248 OE1 GLU A 1 -0.118 -15.901 4.841 1.00 0.00 O ATOM 249 OE2 GLU A 1 0.744 -17.762 5.540 1.00 0.00 O ATOM 0 H GLU A 1 2.097 -12.473 3.225 1.00 0.00 H new ATOM 0 HA GLU A 1 3.308 -14.962 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.257 -14.112 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.506 -14.046 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.870 -16.690 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.805 -16.044 5.871 1.00 0.00 H new ATOM 256 N GLY A 2 0.080 -14.697 1.947 1.00 0.00 N ATOM 257 CA GLY A 2 -1.064 -15.315 1.270 1.00 0.00 C ATOM 258 C GLY A 2 -0.962 -15.291 -0.260 1.00 0.00 C ATOM 259 O GLY A 2 -1.269 -16.284 -0.923 1.00 0.00 O ATOM 0 H GLY A 2 -0.114 -13.754 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.157 -16.349 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.976 -14.800 1.573 1.00 0.00 H new ATOM 263 N GLY A 3 -0.495 -14.174 -0.827 1.00 0.00 N ATOM 264 CA GLY A 3 -0.124 -14.014 -2.238 1.00 0.00 C ATOM 265 C GLY A 3 -1.251 -14.076 -3.286 1.00 0.00 C ATOM 266 O GLY A 3 -0.951 -13.977 -4.479 1.00 0.00 O ATOM 0 H GLY A 3 -0.359 -13.317 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.381 -13.054 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.605 -14.787 -2.483 1.00 0.00 H new ATOM 270 N GLY A 4 -2.521 -14.246 -2.896 1.00 0.00 N ATOM 271 CA GLY A 4 -3.650 -14.377 -3.829 1.00 0.00 C ATOM 272 C GLY A 4 -4.855 -15.129 -3.252 1.00 0.00 C ATOM 273 O GLY A 4 -5.214 -14.958 -2.089 1.00 0.00 O ATOM 0 H GLY A 4 -2.797 -14.297 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.970 -13.382 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.308 -14.894 -4.726 1.00 0.00 H new ATOM 277 N GLU A 5 -5.489 -15.980 -4.064 1.00 0.00 N ATOM 278 CA GLU A 5 -6.750 -16.681 -3.738 1.00 0.00 C ATOM 279 C GLU A 5 -6.669 -17.689 -2.570 1.00 0.00 C ATOM 280 O GLU A 5 -7.701 -18.200 -2.134 1.00 0.00 O ATOM 281 CB GLU A 5 -7.302 -17.362 -5.006 1.00 0.00 C ATOM 282 CG GLU A 5 -6.436 -18.530 -5.517 1.00 0.00 C ATOM 283 CD GLU A 5 -6.948 -19.153 -6.836 1.00 0.00 C ATOM 284 OE1 GLU A 5 -8.049 -18.801 -7.328 1.00 0.00 O ATOM 285 OE2 GLU A 5 -6.234 -20.019 -7.400 1.00 0.00 O ATOM 0 H GLU A 5 -5.136 -16.212 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.431 -15.909 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.307 -17.731 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.392 -16.617 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.416 -18.176 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.397 -19.304 -4.751 1.00 0.00 H new ATOM 292 N ASN A 6 -5.474 -17.966 -2.033 1.00 0.00 N ATOM 293 CA ASN A 6 -5.230 -18.903 -0.930 1.00 0.00 C ATOM 294 C ASN A 6 -6.103 -18.637 0.318 1.00 0.00 C ATOM 295 O ASN A 6 -6.544 -19.582 0.976 1.00 0.00 O ATOM 296 CB ASN A 6 -3.727 -18.831 -0.602 1.00 0.00 C ATOM 297 CG ASN A 6 -3.331 -19.753 0.538 1.00 0.00 C ATOM 298 OD1 ASN A 6 -3.291 -19.363 1.695 1.00 0.00 O ATOM 299 ND2 ASN A 6 -2.991 -20.988 0.247 1.00 0.00 N ATOM 0 H ASN A 6 -4.617 -17.526 -2.369 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.517 -19.906 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.152 -19.092 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -3.465 -17.805 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.693 -21.623 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.025 -21.312 -0.720 1.00 0.00 H new ATOM 306 N LEU A 7 -6.417 -17.364 0.597 1.00 0.00 N ATOM 307 CA LEU A 7 -7.275 -16.932 1.710 1.00 0.00 C ATOM 308 C LEU A 7 -8.731 -17.436 1.593 1.00 0.00 C ATOM 309 O LEU A 7 -9.432 -17.497 2.606 1.00 0.00 O ATOM 310 CB LEU A 7 -7.262 -15.390 1.794 1.00 0.00 C ATOM 311 CG LEU A 7 -5.981 -14.701 2.308 1.00 0.00 C ATOM 312 CD1 LEU A 7 -5.547 -15.200 3.683 1.00 0.00 C ATOM 313 CD2 LEU A 7 -4.783 -14.791 1.372 1.00 0.00 C ATOM 0 H LEU A 7 -6.071 -16.584 0.038 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.866 -17.374 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.474 -15.000 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.086 -15.084 2.438 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.283 -13.655 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.641 -14.678 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.339 -15.008 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.351 -16.271 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.932 -14.278 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.529 -15.838 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.029 -14.322 0.420 1.00 0.00 H new ATOM 325 N TYR A 8 -9.173 -17.809 0.386 1.00 0.00 N ATOM 326 CA TYR A 8 -10.446 -18.482 0.094 1.00 0.00 C ATOM 327 C TYR A 8 -10.355 -19.968 -0.293 1.00 0.00 C ATOM 328 O TYR A 8 -11.140 -20.795 0.179 1.00 0.00 O ATOM 329 CB TYR A 8 -11.302 -17.625 -0.854 1.00 0.00 C ATOM 330 CG TYR A 8 -12.432 -18.367 -1.545 1.00 0.00 C ATOM 331 CD1 TYR A 8 -13.674 -18.520 -0.896 1.00 0.00 C ATOM 332 CD2 TYR A 8 -12.234 -18.923 -2.826 1.00 0.00 C ATOM 333 CE1 TYR A 8 -14.716 -19.227 -1.525 1.00 0.00 C ATOM 334 CE2 TYR A 8 -13.275 -19.632 -3.457 1.00 0.00 C ATOM 335 CZ TYR A 8 -14.521 -19.787 -2.807 1.00 0.00 C ATOM 336 OH TYR A 8 -15.535 -20.470 -3.408 1.00 0.00 O ATOM 0 H TYR A 8 -8.625 -17.641 -0.457 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.971 -18.552 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.725 -16.796 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.652 -17.193 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.826 -18.094 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.283 -18.805 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.667 -19.342 -1.026 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.121 -20.057 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.239 -20.790 -4.286 1.00 0.00 H new ATOM 346 N PHE A 9 -9.336 -20.326 -1.083 1.00 0.00 N ATOM 347 CA PHE A 9 -8.993 -21.704 -1.465 1.00 0.00 C ATOM 348 C PHE A 9 -8.796 -22.722 -0.322 1.00 0.00 C ATOM 349 O PHE A 9 -8.989 -23.927 -0.497 1.00 0.00 O ATOM 350 CB PHE A 9 -7.894 -21.692 -2.544 1.00 0.00 C ATOM 351 CG PHE A 9 -7.145 -22.996 -2.757 1.00 0.00 C ATOM 352 CD1 PHE A 9 -5.992 -23.282 -1.998 1.00 0.00 C ATOM 353 CD2 PHE A 9 -7.597 -23.924 -3.714 1.00 0.00 C ATOM 354 CE1 PHE A 9 -5.298 -24.490 -2.194 1.00 0.00 C ATOM 355 CE2 PHE A 9 -6.903 -25.131 -3.911 1.00 0.00 C ATOM 356 CZ PHE A 9 -5.754 -25.415 -3.151 1.00 0.00 C ATOM 0 H PHE A 9 -8.702 -19.638 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.894 -22.127 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.348 -21.400 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.169 -20.920 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.640 -22.572 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.479 -23.708 -4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.416 -24.707 -1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.252 -25.841 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.222 -26.343 -3.302 1.00 0.00 H new ATOM 366 N GLN A 10 -8.509 -22.212 0.880 1.00 0.00 N ATOM 367 CA GLN A 10 -8.507 -22.940 2.156 1.00 0.00 C ATOM 368 C GLN A 10 -9.833 -23.685 2.458 1.00 0.00 C ATOM 369 O GLN A 10 -9.833 -24.653 3.220 1.00 0.00 O ATOM 370 CB GLN A 10 -8.148 -21.902 3.243 1.00 0.00 C ATOM 371 CG GLN A 10 -8.368 -22.324 4.706 1.00 0.00 C ATOM 372 CD GLN A 10 -7.554 -23.541 5.155 1.00 0.00 C ATOM 373 OE1 GLN A 10 -6.532 -23.907 4.587 1.00 0.00 O ATOM 374 NE2 GLN A 10 -7.960 -24.201 6.218 1.00 0.00 N ATOM 0 H GLN A 10 -8.259 -21.230 0.997 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.774 -23.746 2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.099 -21.632 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.732 -21.001 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.122 -21.482 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.427 -22.539 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.808 -23.912 6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.426 -25.002 6.556 1.00 0.00 H new ATOM 383 N GLY A 11 -10.960 -23.259 1.869 1.00 0.00 N ATOM 384 CA GLY A 11 -12.306 -23.822 2.079 1.00 0.00 C ATOM 385 C GLY A 11 -13.161 -23.046 3.094 1.00 0.00 C ATOM 386 O GLY A 11 -14.374 -23.249 3.176 1.00 0.00 O ATOM 0 H GLY A 11 -10.961 -22.483 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.830 -23.848 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.208 -24.854 2.417 1.00 0.00 H new ATOM 390 N MET A 12 -12.538 -22.121 3.825 1.00 0.00 N ATOM 391 CA MET A 12 -13.146 -21.110 4.695 1.00 0.00 C ATOM 392 C MET A 12 -12.202 -19.898 4.780 1.00 0.00 C ATOM 393 O MET A 12 -11.009 -20.015 4.478 1.00 0.00 O ATOM 394 CB MET A 12 -13.484 -21.682 6.087 1.00 0.00 C ATOM 395 CG MET A 12 -12.291 -22.119 6.956 1.00 0.00 C ATOM 396 SD MET A 12 -11.443 -23.664 6.504 1.00 0.00 S ATOM 397 CE MET A 12 -12.757 -24.883 6.788 1.00 0.00 C ATOM 0 H MET A 12 -11.520 -22.053 3.825 1.00 0.00 H new ATOM 0 HA MET A 12 -14.096 -20.790 4.267 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.050 -20.930 6.637 1.00 0.00 H new ATOM 0 HB3 MET A 12 -14.142 -22.541 5.953 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.555 -21.315 6.945 1.00 0.00 H new ATOM 0 HG3 MET A 12 -12.641 -22.216 7.984 1.00 0.00 H new ATOM 0 HE1 MET A 12 -12.334 -25.887 6.761 1.00 0.00 H new ATOM 0 HE2 MET A 12 -13.212 -24.707 7.763 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.515 -24.788 6.011 1.00 0.00 H new ATOM 407 N SER A 13 -12.721 -18.732 5.170 1.00 0.00 N ATOM 408 CA SER A 13 -11.955 -17.478 5.210 1.00 0.00 C ATOM 409 C SER A 13 -10.737 -17.530 6.141 1.00 0.00 C ATOM 410 O SER A 13 -10.880 -17.701 7.354 1.00 0.00 O ATOM 411 CB SER A 13 -12.854 -16.291 5.581 1.00 0.00 C ATOM 412 OG SER A 13 -13.650 -16.557 6.730 1.00 0.00 O ATOM 0 H SER A 13 -13.690 -18.627 5.469 1.00 0.00 H new ATOM 0 HA SER A 13 -11.570 -17.338 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.235 -15.413 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.503 -16.052 4.739 1.00 0.00 H new ATOM 0 HG SER A 13 -13.106 -17.013 7.406 1.00 0.00 H new ATOM 418 N VAL A 14 -9.553 -17.294 5.561 1.00 0.00 N ATOM 419 CA VAL A 14 -8.232 -17.213 6.213 1.00 0.00 C ATOM 420 C VAL A 14 -7.721 -18.523 6.869 1.00 0.00 C ATOM 421 O VAL A 14 -8.327 -19.020 7.822 1.00 0.00 O ATOM 422 CB VAL A 14 -8.093 -15.992 7.149 1.00 0.00 C ATOM 423 CG1 VAL A 14 -6.631 -15.687 7.502 1.00 0.00 C ATOM 424 CG2 VAL A 14 -8.712 -14.709 6.569 1.00 0.00 C ATOM 0 H VAL A 14 -9.484 -17.144 4.554 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.552 -17.058 5.375 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.641 -16.281 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.589 -14.820 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.191 -16.548 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.073 -15.476 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.580 -13.890 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.219 -14.460 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.776 -14.867 6.391 1.00 0.00 H new ATOM 434 N PRO A 15 -6.585 -19.088 6.407 1.00 0.00 N ATOM 435 CA PRO A 15 -5.931 -20.254 7.008 1.00 0.00 C ATOM 436 C PRO A 15 -5.177 -19.907 8.306 1.00 0.00 C ATOM 437 O PRO A 15 -4.957 -18.734 8.628 1.00 0.00 O ATOM 438 CB PRO A 15 -4.965 -20.750 5.925 1.00 0.00 C ATOM 439 CG PRO A 15 -4.522 -19.455 5.250 1.00 0.00 C ATOM 440 CD PRO A 15 -5.787 -18.600 5.292 1.00 0.00 C ATOM 0 HA PRO A 15 -6.660 -21.009 7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.122 -21.292 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.455 -21.425 5.223 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.697 -18.983 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.184 -19.627 4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.538 -17.547 5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.340 -18.681 4.356 1.00 0.00 H new ATOM 448 N THR A 16 -4.705 -20.929 9.027 1.00 0.00 N ATOM 449 CA THR A 16 -3.783 -20.761 10.169 1.00 0.00 C ATOM 450 C THR A 16 -2.494 -19.978 9.867 1.00 0.00 C ATOM 451 O THR A 16 -2.121 -19.807 8.703 1.00 0.00 O ATOM 452 CB THR A 16 -3.544 -22.087 10.912 1.00 0.00 C ATOM 453 OG1 THR A 16 -3.171 -21.814 12.247 1.00 0.00 O ATOM 454 CG2 THR A 16 -2.445 -22.948 10.285 1.00 0.00 C ATOM 0 H THR A 16 -4.949 -21.901 8.839 1.00 0.00 H new ATOM 0 HA THR A 16 -4.307 -20.099 10.859 1.00 0.00 H new ATOM 0 HB THR A 16 -4.479 -22.644 10.853 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.020 -22.657 12.723 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.330 -23.867 10.860 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.717 -23.194 9.258 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.504 -22.397 10.290 1.00 0.00 H new ATOM 462 N ASP A 17 -1.834 -19.456 10.901 1.00 0.00 N ATOM 463 CA ASP A 17 -0.677 -18.554 10.791 1.00 0.00 C ATOM 464 C ASP A 17 0.561 -19.087 10.037 1.00 0.00 C ATOM 465 O ASP A 17 0.827 -20.293 10.021 1.00 0.00 O ATOM 466 CB ASP A 17 -0.307 -17.970 12.169 1.00 0.00 C ATOM 467 CG ASP A 17 -1.282 -16.907 12.714 1.00 0.00 C ATOM 468 OD1 ASP A 17 -2.152 -16.397 11.967 1.00 0.00 O ATOM 469 OD2 ASP A 17 -1.163 -16.562 13.914 1.00 0.00 O ATOM 0 H ASP A 17 -2.093 -19.652 11.868 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.027 -17.759 10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.246 -18.787 12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.687 -17.529 12.104 1.00 0.00 H new ATOM 474 N GLY A 18 1.336 -18.177 9.435 1.00 0.00 N ATOM 475 CA GLY A 18 2.533 -18.481 8.639 1.00 0.00 C ATOM 476 C GLY A 18 3.538 -17.323 8.578 1.00 0.00 C ATOM 477 O GLY A 18 3.373 -16.310 9.264 1.00 0.00 O ATOM 0 H GLY A 18 1.142 -17.177 9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.026 -19.358 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.229 -18.742 7.625 1.00 0.00 H new ATOM 481 N ALA A 19 4.592 -17.493 7.771 1.00 0.00 N ATOM 482 CA ALA A 19 5.810 -16.669 7.661 1.00 0.00 C ATOM 483 C ALA A 19 6.677 -16.595 8.940 1.00 0.00 C ATOM 484 O ALA A 19 7.904 -16.694 8.856 1.00 0.00 O ATOM 485 CB ALA A 19 5.483 -15.284 7.081 1.00 0.00 C ATOM 0 H ALA A 19 4.621 -18.278 7.120 1.00 0.00 H new ATOM 0 HA ALA A 19 6.454 -17.194 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.397 -14.694 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.047 -15.399 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.773 -14.775 7.733 1.00 0.00 H new ATOM 491 N VAL A 20 6.071 -16.466 10.125 1.00 0.00 N ATOM 492 CA VAL A 20 6.758 -16.575 11.423 1.00 0.00 C ATOM 493 C VAL A 20 7.306 -17.993 11.643 1.00 0.00 C ATOM 494 O VAL A 20 6.593 -18.983 11.474 1.00 0.00 O ATOM 495 CB VAL A 20 5.892 -16.065 12.598 1.00 0.00 C ATOM 496 CG1 VAL A 20 5.338 -14.661 12.317 1.00 0.00 C ATOM 497 CG2 VAL A 20 4.709 -16.977 12.956 1.00 0.00 C ATOM 0 H VAL A 20 5.072 -16.280 10.214 1.00 0.00 H new ATOM 0 HA VAL A 20 7.619 -15.907 11.395 1.00 0.00 H new ATOM 0 HB VAL A 20 6.575 -16.054 13.447 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.734 -14.332 13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.165 -13.966 12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.721 -14.686 11.419 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.155 -16.545 13.790 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.050 -17.073 12.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.081 -17.961 13.239 1.00 0.00 H new ATOM 507 N THR A 21 8.598 -18.095 11.973 1.00 0.00 N ATOM 508 CA THR A 21 9.353 -19.355 12.150 1.00 0.00 C ATOM 509 C THR A 21 9.437 -20.347 10.967 1.00 0.00 C ATOM 510 O THR A 21 10.010 -21.433 11.084 1.00 0.00 O ATOM 511 CB THR A 21 9.160 -19.963 13.558 1.00 0.00 C ATOM 512 OG1 THR A 21 10.372 -20.523 14.022 1.00 0.00 O ATOM 513 CG2 THR A 21 8.087 -21.052 13.664 1.00 0.00 C ATOM 0 H THR A 21 9.177 -17.271 12.132 1.00 0.00 H new ATOM 0 HA THR A 21 10.392 -19.027 12.103 1.00 0.00 H new ATOM 0 HB THR A 21 8.827 -19.121 14.164 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.807 -21.011 13.292 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.033 -21.411 14.692 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.121 -20.641 13.372 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.343 -21.881 13.004 1.00 0.00 H new ATOM 521 N THR A 22 8.918 -19.975 9.788 1.00 0.00 N ATOM 522 CA THR A 22 8.857 -20.793 8.553 1.00 0.00 C ATOM 523 C THR A 22 10.169 -21.051 7.788 1.00 0.00 C ATOM 524 O THR A 22 10.192 -21.155 6.560 1.00 0.00 O ATOM 525 CB THR A 22 7.663 -20.432 7.636 1.00 0.00 C ATOM 526 OG1 THR A 22 6.625 -19.782 8.343 1.00 0.00 O ATOM 527 CG2 THR A 22 7.034 -21.645 6.948 1.00 0.00 C ATOM 0 H THR A 22 8.507 -19.051 9.656 1.00 0.00 H new ATOM 0 HA THR A 22 8.662 -21.784 8.964 1.00 0.00 H new ATOM 0 HB THR A 22 8.099 -19.771 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.789 -19.854 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.204 -21.318 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.782 -22.141 6.329 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.667 -22.341 7.702 1.00 0.00 H new ATOM 535 N SER A 23 11.291 -21.147 8.507 1.00 0.00 N ATOM 536 CA SER A 23 12.663 -21.278 7.977 1.00 0.00 C ATOM 537 C SER A 23 12.987 -22.633 7.312 1.00 0.00 C ATOM 538 O SER A 23 14.114 -22.850 6.862 1.00 0.00 O ATOM 539 CB SER A 23 13.667 -21.007 9.106 1.00 0.00 C ATOM 540 OG SER A 23 13.478 -19.703 9.640 1.00 0.00 O ATOM 0 H SER A 23 11.273 -21.135 9.527 1.00 0.00 H new ATOM 0 HA SER A 23 12.741 -20.541 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.546 -21.750 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.684 -21.107 8.727 1.00 0.00 H new ATOM 0 HG SER A 23 14.125 -19.547 10.360 1.00 0.00 H new ATOM 546 N GLN A 24 12.019 -23.555 7.241 1.00 0.00 N ATOM 547 CA GLN A 24 12.152 -24.890 6.636 1.00 0.00 C ATOM 548 C GLN A 24 12.428 -24.859 5.116 1.00 0.00 C ATOM 549 O GLN A 24 13.025 -25.798 4.581 1.00 0.00 O ATOM 550 CB GLN A 24 10.863 -25.672 6.969 1.00 0.00 C ATOM 551 CG GLN A 24 10.764 -27.098 6.392 1.00 0.00 C ATOM 552 CD GLN A 24 11.845 -28.067 6.884 1.00 0.00 C ATOM 553 OE1 GLN A 24 12.536 -27.855 7.874 1.00 0.00 O ATOM 554 NE2 GLN A 24 12.022 -29.192 6.221 1.00 0.00 N ATOM 0 H GLN A 24 11.086 -23.387 7.617 1.00 0.00 H new ATOM 0 HA GLN A 24 13.029 -25.384 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.770 -25.734 8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.010 -25.097 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.786 -27.509 6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.816 -27.039 5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.459 -29.391 5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.722 -29.864 6.535 1.00 0.00 H new ATOM 563 N ILE A 25 12.014 -23.791 4.422 1.00 0.00 N ATOM 564 CA ILE A 25 12.144 -23.609 2.963 1.00 0.00 C ATOM 565 C ILE A 25 13.058 -22.413 2.605 1.00 0.00 C ATOM 566 O ILE A 25 13.225 -21.510 3.436 1.00 0.00 O ATOM 567 CB ILE A 25 10.748 -23.483 2.305 1.00 0.00 C ATOM 568 CG1 ILE A 25 9.929 -22.294 2.865 1.00 0.00 C ATOM 569 CG2 ILE A 25 9.976 -24.808 2.458 1.00 0.00 C ATOM 570 CD1 ILE A 25 8.665 -21.983 2.054 1.00 0.00 C ATOM 0 H ILE A 25 11.561 -22.997 4.875 1.00 0.00 H new ATOM 0 HA ILE A 25 12.629 -24.498 2.559 1.00 0.00 H new ATOM 0 HB ILE A 25 10.901 -23.276 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.645 -22.512 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.562 -21.407 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.995 -24.713 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.531 -25.611 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.855 -25.039 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.142 -21.139 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.942 -21.733 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.011 -22.855 2.051 1.00 0.00 H new ATOM 582 N PRO A 26 13.642 -22.363 1.387 1.00 0.00 N ATOM 583 CA PRO A 26 14.474 -21.242 0.934 1.00 0.00 C ATOM 584 C PRO A 26 13.745 -19.887 0.938 1.00 0.00 C ATOM 585 O PRO A 26 12.542 -19.807 0.673 1.00 0.00 O ATOM 586 CB PRO A 26 14.950 -21.609 -0.478 1.00 0.00 C ATOM 587 CG PRO A 26 14.901 -23.135 -0.475 1.00 0.00 C ATOM 588 CD PRO A 26 13.676 -23.425 0.389 1.00 0.00 C ATOM 0 HA PRO A 26 15.304 -21.103 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.301 -21.186 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.956 -21.238 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.793 -23.539 -1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.807 -23.569 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.765 -23.429 -0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.752 -24.405 0.861 1.00 0.00 H new ATOM 596 N ALA A 27 14.487 -18.810 1.212 1.00 0.00 N ATOM 597 CA ALA A 27 13.946 -17.451 1.329 1.00 0.00 C ATOM 598 C ALA A 27 13.596 -16.784 -0.022 1.00 0.00 C ATOM 599 O ALA A 27 12.773 -15.866 -0.054 1.00 0.00 O ATOM 600 CB ALA A 27 14.967 -16.609 2.107 1.00 0.00 C ATOM 0 H ALA A 27 15.495 -18.857 1.361 1.00 0.00 H new ATOM 0 HA ALA A 27 12.994 -17.514 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.594 -15.590 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.119 -17.043 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.914 -16.595 1.567 1.00 0.00 H new ATOM 606 N SER A 28 14.208 -17.219 -1.132 1.00 0.00 N ATOM 607 CA SER A 28 14.015 -16.629 -2.466 1.00 0.00 C ATOM 608 C SER A 28 12.608 -16.877 -3.031 1.00 0.00 C ATOM 609 O SER A 28 12.192 -18.021 -3.232 1.00 0.00 O ATOM 610 CB SER A 28 15.092 -17.130 -3.440 1.00 0.00 C ATOM 611 OG SER A 28 15.119 -18.549 -3.524 1.00 0.00 O ATOM 0 H SER A 28 14.861 -18.002 -1.129 1.00 0.00 H new ATOM 0 HA SER A 28 14.116 -15.550 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.908 -16.712 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.068 -16.768 -3.118 1.00 0.00 H new ATOM 0 HG SER A 28 14.203 -18.890 -3.589 1.00 0.00 H new ATOM 617 N GLU A 29 11.874 -15.800 -3.313 1.00 0.00 N ATOM 618 CA GLU A 29 10.473 -15.839 -3.758 1.00 0.00 C ATOM 619 C GLU A 29 10.320 -16.066 -5.274 1.00 0.00 C ATOM 620 O GLU A 29 9.284 -16.559 -5.725 1.00 0.00 O ATOM 621 CB GLU A 29 9.768 -14.525 -3.378 1.00 0.00 C ATOM 622 CG GLU A 29 9.943 -14.094 -1.909 1.00 0.00 C ATOM 623 CD GLU A 29 11.175 -13.198 -1.640 1.00 0.00 C ATOM 624 OE1 GLU A 29 12.111 -13.129 -2.476 1.00 0.00 O ATOM 625 OE2 GLU A 29 11.199 -12.533 -0.576 1.00 0.00 O ATOM 0 H GLU A 29 12.242 -14.852 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 29 10.014 -16.690 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.143 -13.729 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.703 -14.628 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.047 -13.561 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.018 -14.987 -1.289 1.00 0.00 H new ATOM 632 N GLN A 30 11.345 -15.701 -6.057 1.00 0.00 N ATOM 633 CA GLN A 30 11.400 -15.811 -7.526 1.00 0.00 C ATOM 634 C GLN A 30 10.255 -15.077 -8.270 1.00 0.00 C ATOM 635 O GLN A 30 9.865 -15.463 -9.375 1.00 0.00 O ATOM 636 CB GLN A 30 11.578 -17.285 -7.959 1.00 0.00 C ATOM 637 CG GLN A 30 12.792 -18.007 -7.335 1.00 0.00 C ATOM 638 CD GLN A 30 14.158 -17.431 -7.725 1.00 0.00 C ATOM 639 OE1 GLN A 30 14.319 -16.666 -8.670 1.00 0.00 O ATOM 640 NE2 GLN A 30 15.210 -17.787 -7.018 1.00 0.00 N ATOM 0 H GLN A 30 12.199 -15.302 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 30 12.289 -15.266 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.674 -17.836 -7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.672 -17.320 -9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.697 -17.974 -6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.761 -19.057 -7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.102 -18.422 -6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.133 -17.428 -7.261 1.00 0.00 H new ATOM 649 N GLU A 31 9.702 -14.009 -7.678 1.00 0.00 N ATOM 650 CA GLU A 31 8.663 -13.171 -8.302 1.00 0.00 C ATOM 651 C GLU A 31 9.175 -12.387 -9.525 1.00 0.00 C ATOM 652 O GLU A 31 10.320 -11.926 -9.561 1.00 0.00 O ATOM 653 CB GLU A 31 8.045 -12.196 -7.284 1.00 0.00 C ATOM 654 CG GLU A 31 7.215 -12.902 -6.200 1.00 0.00 C ATOM 655 CD GLU A 31 6.350 -11.943 -5.351 1.00 0.00 C ATOM 656 OE1 GLU A 31 6.441 -10.700 -5.499 1.00 0.00 O ATOM 657 OE2 GLU A 31 5.557 -12.451 -4.522 1.00 0.00 O ATOM 0 H GLU A 31 9.965 -13.698 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 31 7.897 -13.862 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.841 -11.624 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.411 -11.483 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.566 -13.638 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.888 -13.450 -5.540 1.00 0.00 H new ATOM 664 N THR A 32 8.309 -12.204 -10.526 1.00 0.00 N ATOM 665 CA THR A 32 8.567 -11.388 -11.726 1.00 0.00 C ATOM 666 C THR A 32 8.431 -9.898 -11.369 1.00 0.00 C ATOM 667 O THR A 32 7.768 -9.511 -10.399 1.00 0.00 O ATOM 668 CB THR A 32 7.537 -11.714 -12.827 1.00 0.00 C ATOM 669 OG1 THR A 32 6.226 -11.809 -12.302 1.00 0.00 O ATOM 670 CG2 THR A 32 7.863 -13.051 -13.493 1.00 0.00 C ATOM 0 H THR A 32 7.382 -12.629 -10.528 1.00 0.00 H new ATOM 0 HA THR A 32 9.572 -11.608 -12.085 1.00 0.00 H new ATOM 0 HB THR A 32 7.587 -10.900 -13.550 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.598 -12.015 -13.026 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.124 -13.262 -14.266 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.855 -13.001 -13.942 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.842 -13.844 -12.746 1.00 0.00 H new ATOM 678 N LEU A 33 9.067 -9.040 -12.175 1.00 0.00 N ATOM 679 CA LEU A 33 8.936 -7.583 -12.080 1.00 0.00 C ATOM 680 C LEU A 33 7.630 -7.063 -12.706 1.00 0.00 C ATOM 681 O LEU A 33 7.120 -7.605 -13.690 1.00 0.00 O ATOM 682 CB LEU A 33 10.125 -6.889 -12.771 1.00 0.00 C ATOM 683 CG LEU A 33 11.503 -7.087 -12.118 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.555 -6.395 -12.987 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.581 -6.487 -10.711 1.00 0.00 C ATOM 0 H LEU A 33 9.694 -9.342 -12.920 1.00 0.00 H new ATOM 0 HA LEU A 33 8.922 -7.346 -11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.179 -7.246 -13.799 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.918 -5.820 -12.816 1.00 0.00 H new ATOM 0 HG LEU A 33 11.677 -8.160 -12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.540 -6.525 -12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.549 -6.835 -13.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.326 -5.332 -13.058 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.575 -6.656 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.386 -5.416 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.837 -6.962 -10.071 1.00 0.00 H new ATOM 697 N VAL A 34 7.156 -5.943 -12.163 1.00 0.00 N ATOM 698 CA VAL A 34 6.080 -5.077 -12.669 1.00 0.00 C ATOM 699 C VAL A 34 6.549 -3.635 -12.791 1.00 0.00 C ATOM 700 O VAL A 34 7.525 -3.247 -12.143 1.00 0.00 O ATOM 701 CB VAL A 34 4.769 -5.182 -11.857 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.460 -6.621 -11.467 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.756 -4.322 -10.584 1.00 0.00 C ATOM 0 H VAL A 34 7.541 -5.585 -11.289 1.00 0.00 H new ATOM 0 HA VAL A 34 5.838 -5.445 -13.666 1.00 0.00 H new ATOM 0 HB VAL A 34 4.002 -4.800 -12.531 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.531 -6.652 -10.898 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.355 -7.227 -12.367 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.273 -7.015 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.804 -4.449 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.568 -4.632 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.887 -3.274 -10.852 1.00 0.00 H new ATOM 713 N ARG A 35 5.838 -2.826 -13.582 1.00 0.00 N ATOM 714 CA ARG A 35 6.081 -1.379 -13.689 1.00 0.00 C ATOM 715 C ARG A 35 4.915 -0.607 -13.041 1.00 0.00 C ATOM 716 O ARG A 35 3.920 -0.333 -13.716 1.00 0.00 O ATOM 717 CB ARG A 35 6.353 -1.005 -15.163 1.00 0.00 C ATOM 718 CG ARG A 35 7.222 0.254 -15.342 1.00 0.00 C ATOM 719 CD ARG A 35 6.690 1.522 -14.661 1.00 0.00 C ATOM 720 NE ARG A 35 7.521 2.694 -14.998 1.00 0.00 N ATOM 721 CZ ARG A 35 7.588 3.837 -14.339 1.00 0.00 C ATOM 722 NH1 ARG A 35 6.848 4.095 -13.298 1.00 0.00 N ATOM 723 NH2 ARG A 35 8.411 4.768 -14.731 1.00 0.00 N ATOM 0 H ARG A 35 5.073 -3.156 -14.170 1.00 0.00 H new ATOM 0 HA ARG A 35 6.975 -1.091 -13.136 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.843 -1.845 -15.655 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.400 -0.851 -15.669 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.219 0.045 -14.955 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.329 0.452 -16.408 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.661 1.701 -14.971 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.677 1.380 -13.580 1.00 0.00 H new ATOM 0 HE ARG A 35 8.107 2.613 -15.829 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.182 3.400 -12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.934 4.992 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.004 4.614 -15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.463 5.650 -14.222 1.00 0.00 H new ATOM 737 N PRO A 36 4.988 -0.279 -11.735 1.00 0.00 N ATOM 738 CA PRO A 36 3.954 0.510 -11.063 1.00 0.00 C ATOM 739 C PRO A 36 3.870 1.949 -11.600 1.00 0.00 C ATOM 740 O PRO A 36 4.859 2.494 -12.103 1.00 0.00 O ATOM 741 CB PRO A 36 4.296 0.452 -9.574 1.00 0.00 C ATOM 742 CG PRO A 36 5.781 0.120 -9.513 1.00 0.00 C ATOM 743 CD PRO A 36 6.056 -0.636 -10.808 1.00 0.00 C ATOM 0 HA PRO A 36 2.961 0.103 -11.251 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.086 1.403 -9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.702 -0.307 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.387 1.023 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.016 -0.489 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.030 -0.364 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.073 -1.712 -10.632 1.00 0.00 H new ATOM 751 N LYS A 37 2.686 2.568 -11.503 1.00 0.00 N ATOM 752 CA LYS A 37 2.412 3.923 -12.029 1.00 0.00 C ATOM 753 C LYS A 37 3.272 5.010 -11.349 1.00 0.00 C ATOM 754 O LYS A 37 3.684 4.814 -10.202 1.00 0.00 O ATOM 755 CB LYS A 37 0.899 4.227 -11.939 1.00 0.00 C ATOM 756 CG LYS A 37 0.347 4.429 -10.514 1.00 0.00 C ATOM 757 CD LYS A 37 -1.112 4.920 -10.524 1.00 0.00 C ATOM 758 CE LYS A 37 -2.100 3.819 -10.930 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.484 4.345 -11.087 1.00 0.00 N ATOM 0 H LYS A 37 1.877 2.141 -11.052 1.00 0.00 H new ATOM 0 HA LYS A 37 2.703 3.942 -13.079 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.691 5.125 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.353 3.409 -12.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.409 3.490 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.969 5.150 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.374 5.291 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.205 5.759 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.775 3.367 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.094 3.031 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.121 3.570 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.804 4.754 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.495 5.079 -11.823 1.00 0.00 H new ATOM 773 N PRO A 38 3.499 6.184 -11.975 1.00 0.00 N ATOM 774 CA PRO A 38 4.305 7.267 -11.391 1.00 0.00 C ATOM 775 C PRO A 38 3.834 7.744 -10.007 1.00 0.00 C ATOM 776 O PRO A 38 4.659 8.031 -9.138 1.00 0.00 O ATOM 777 CB PRO A 38 4.265 8.404 -12.419 1.00 0.00 C ATOM 778 CG PRO A 38 4.076 7.667 -13.742 1.00 0.00 C ATOM 779 CD PRO A 38 3.150 6.518 -13.352 1.00 0.00 C ATOM 0 HA PRO A 38 5.315 6.905 -11.199 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.446 9.096 -12.223 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.185 8.988 -12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.630 8.307 -14.503 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.023 7.306 -14.144 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.104 6.814 -13.431 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.290 5.661 -14.011 1.00 0.00 H new ATOM 787 N LEU A 39 2.516 7.762 -9.764 1.00 0.00 N ATOM 788 CA LEU A 39 1.922 8.110 -8.464 1.00 0.00 C ATOM 789 C LEU A 39 2.296 7.110 -7.350 1.00 0.00 C ATOM 790 O LEU A 39 2.471 7.498 -6.195 1.00 0.00 O ATOM 791 CB LEU A 39 0.394 8.212 -8.652 1.00 0.00 C ATOM 792 CG LEU A 39 -0.377 8.775 -7.442 1.00 0.00 C ATOM 793 CD1 LEU A 39 -0.103 10.269 -7.257 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.881 8.596 -7.651 1.00 0.00 C ATOM 0 H LEU A 39 1.822 7.532 -10.475 1.00 0.00 H new ATOM 0 HA LEU A 39 2.324 9.067 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.191 8.842 -9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.005 7.220 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.042 8.231 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.661 10.637 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.963 10.426 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.416 10.810 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.418 8.997 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.189 9.128 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.110 7.536 -7.760 1.00 0.00 H new ATOM 806 N LEU A 40 2.452 5.827 -7.699 1.00 0.00 N ATOM 807 CA LEU A 40 2.901 4.775 -6.787 1.00 0.00 C ATOM 808 C LEU A 40 4.420 4.804 -6.611 1.00 0.00 C ATOM 809 O LEU A 40 4.912 4.735 -5.491 1.00 0.00 O ATOM 810 CB LEU A 40 2.408 3.412 -7.303 1.00 0.00 C ATOM 811 CG LEU A 40 2.774 2.216 -6.403 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.320 2.413 -4.957 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.078 0.957 -6.916 1.00 0.00 C ATOM 0 H LEU A 40 2.265 5.487 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 40 2.473 4.948 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.324 3.450 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.823 3.243 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 40 3.860 2.127 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.602 1.542 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.796 3.302 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.237 2.535 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.338 0.112 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.998 1.106 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.400 0.754 -7.937 1.00 0.00 H new ATOM 825 N LEU A 41 5.165 4.986 -7.701 1.00 0.00 N ATOM 826 CA LEU A 41 6.619 5.156 -7.667 1.00 0.00 C ATOM 827 C LEU A 41 7.037 6.322 -6.749 1.00 0.00 C ATOM 828 O LEU A 41 7.952 6.164 -5.944 1.00 0.00 O ATOM 829 CB LEU A 41 7.117 5.297 -9.116 1.00 0.00 C ATOM 830 CG LEU A 41 8.616 5.601 -9.260 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.503 4.540 -8.608 1.00 0.00 C ATOM 832 CD2 LEU A 41 8.985 5.679 -10.742 1.00 0.00 C ATOM 0 H LEU A 41 4.773 5.020 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 41 7.095 4.281 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.896 4.374 -9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.552 6.092 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 41 8.790 6.550 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.551 4.809 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.277 4.481 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.314 3.572 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.049 5.895 -10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.761 4.727 -11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.408 6.471 -11.219 1.00 0.00 H new ATOM 844 N LYS A 42 6.310 7.447 -6.774 1.00 0.00 N ATOM 845 CA LYS A 42 6.458 8.558 -5.814 1.00 0.00 C ATOM 846 C LYS A 42 6.320 8.097 -4.354 1.00 0.00 C ATOM 847 O LYS A 42 7.148 8.457 -3.517 1.00 0.00 O ATOM 848 CB LYS A 42 5.412 9.634 -6.162 1.00 0.00 C ATOM 849 CG LYS A 42 5.413 10.860 -5.227 1.00 0.00 C ATOM 850 CD LYS A 42 4.119 11.683 -5.348 1.00 0.00 C ATOM 851 CE LYS A 42 3.818 12.226 -6.752 1.00 0.00 C ATOM 852 NZ LYS A 42 4.816 13.236 -7.201 1.00 0.00 N ATOM 0 H LYS A 42 5.588 7.617 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 42 7.464 8.968 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.585 9.973 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.422 9.179 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.536 10.529 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.268 11.494 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.282 11.062 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.176 12.523 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.799 11.399 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.824 12.674 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.567 13.570 -8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.817 14.040 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.762 12.804 -7.222 1.00 0.00 H new ATOM 866 N LEU A 43 5.311 7.275 -4.047 1.00 0.00 N ATOM 867 CA LEU A 43 5.076 6.727 -2.705 1.00 0.00 C ATOM 868 C LEU A 43 6.224 5.805 -2.268 1.00 0.00 C ATOM 869 O LEU A 43 6.755 5.970 -1.170 1.00 0.00 O ATOM 870 CB LEU A 43 3.696 6.040 -2.676 1.00 0.00 C ATOM 871 CG LEU A 43 3.219 5.594 -1.278 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.695 5.479 -1.275 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.757 4.217 -0.869 1.00 0.00 C ATOM 0 H LEU A 43 4.623 6.966 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 43 5.061 7.534 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.958 6.724 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.728 5.167 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 43 3.589 6.344 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.356 5.164 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.257 6.447 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.384 4.744 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.385 3.961 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.422 3.468 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.847 4.242 -0.853 1.00 0.00 H new ATOM 885 N LEU A 44 6.673 4.897 -3.142 1.00 0.00 N ATOM 886 CA LEU A 44 7.808 4.004 -2.881 1.00 0.00 C ATOM 887 C LEU A 44 9.102 4.812 -2.641 1.00 0.00 C ATOM 888 O LEU A 44 9.870 4.527 -1.723 1.00 0.00 O ATOM 889 CB LEU A 44 7.956 3.012 -4.058 1.00 0.00 C ATOM 890 CG LEU A 44 6.720 2.135 -4.361 1.00 0.00 C ATOM 891 CD1 LEU A 44 6.909 1.381 -5.679 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.456 1.099 -3.273 1.00 0.00 C ATOM 0 H LEU A 44 6.253 4.760 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 44 7.622 3.434 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.205 3.578 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.801 2.356 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 44 5.872 2.818 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.029 0.768 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.044 2.096 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.789 0.741 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.577 0.511 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.319 0.440 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.283 1.605 -2.323 1.00 0.00 H new ATOM 904 N LYS A 45 9.325 5.882 -3.412 1.00 0.00 N ATOM 905 CA LYS A 45 10.486 6.779 -3.271 1.00 0.00 C ATOM 906 C LYS A 45 10.450 7.676 -2.033 1.00 0.00 C ATOM 907 O LYS A 45 11.516 8.022 -1.524 1.00 0.00 O ATOM 908 CB LYS A 45 10.654 7.599 -4.552 1.00 0.00 C ATOM 909 CG LYS A 45 11.107 6.678 -5.695 1.00 0.00 C ATOM 910 CD LYS A 45 10.997 7.366 -7.051 1.00 0.00 C ATOM 911 CE LYS A 45 12.212 8.243 -7.314 1.00 0.00 C ATOM 912 NZ LYS A 45 12.071 9.041 -8.560 1.00 0.00 N ATOM 0 H LYS A 45 8.695 6.157 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 45 11.357 6.141 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.713 8.083 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.387 8.390 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.139 6.369 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.499 5.773 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.907 6.617 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.092 7.972 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.362 8.915 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.101 7.617 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.922 9.623 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.954 8.401 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.238 9.659 -8.484 1.00 0.00 H new ATOM 926 N SER A 46 9.272 7.983 -1.483 1.00 0.00 N ATOM 927 CA SER A 46 9.154 8.703 -0.201 1.00 0.00 C ATOM 928 C SER A 46 9.715 7.886 0.981 1.00 0.00 C ATOM 929 O SER A 46 10.219 8.466 1.946 1.00 0.00 O ATOM 930 CB SER A 46 7.701 9.121 0.056 1.00 0.00 C ATOM 931 OG SER A 46 6.912 8.055 0.545 1.00 0.00 O ATOM 0 H SER A 46 8.375 7.744 -1.906 1.00 0.00 H new ATOM 0 HA SER A 46 9.763 9.604 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.683 9.941 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.265 9.497 -0.869 1.00 0.00 H new ATOM 0 HG SER A 46 6.785 7.390 -0.164 1.00 0.00 H new ATOM 937 N VAL A 47 9.710 6.547 0.874 1.00 0.00 N ATOM 938 CA VAL A 47 10.394 5.601 1.782 1.00 0.00 C ATOM 939 C VAL A 47 11.750 5.102 1.238 1.00 0.00 C ATOM 940 O VAL A 47 12.347 4.181 1.800 1.00 0.00 O ATOM 941 CB VAL A 47 9.459 4.464 2.251 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.171 5.005 2.881 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.063 3.497 1.133 1.00 0.00 C ATOM 0 H VAL A 47 9.210 6.071 0.123 1.00 0.00 H new ATOM 0 HA VAL A 47 10.650 6.168 2.677 1.00 0.00 H new ATOM 0 HB VAL A 47 10.046 3.921 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.543 4.172 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.419 5.620 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.633 5.608 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.406 2.725 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.542 4.043 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.958 3.032 0.720 1.00 0.00 H new ATOM 953 N GLY A 48 12.272 5.734 0.180 1.00 0.00 N ATOM 954 CA GLY A 48 13.640 5.555 -0.323 1.00 0.00 C ATOM 955 C GLY A 48 13.859 4.402 -1.310 1.00 0.00 C ATOM 956 O GLY A 48 14.966 3.857 -1.355 1.00 0.00 O ATOM 0 H GLY A 48 11.736 6.407 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.950 6.482 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.301 5.404 0.531 1.00 0.00 H new ATOM 960 N ALA A 49 12.847 4.002 -2.088 1.00 0.00 N ATOM 961 CA ALA A 49 12.979 2.911 -3.055 1.00 0.00 C ATOM 962 C ALA A 49 13.827 3.343 -4.278 1.00 0.00 C ATOM 963 O ALA A 49 13.690 4.465 -4.772 1.00 0.00 O ATOM 964 CB ALA A 49 11.571 2.431 -3.405 1.00 0.00 C ATOM 0 H ALA A 49 11.919 4.424 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 49 13.529 2.070 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.633 1.616 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.071 2.080 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.003 3.255 -3.837 1.00 0.00 H new ATOM 970 N GLN A 50 14.736 2.479 -4.749 1.00 0.00 N ATOM 971 CA GLN A 50 15.779 2.839 -5.731 1.00 0.00 C ATOM 972 C GLN A 50 15.397 2.678 -7.220 1.00 0.00 C ATOM 973 O GLN A 50 15.918 3.406 -8.070 1.00 0.00 O ATOM 974 CB GLN A 50 17.037 2.015 -5.377 1.00 0.00 C ATOM 975 CG GLN A 50 18.276 2.207 -6.272 1.00 0.00 C ATOM 976 CD GLN A 50 18.862 3.620 -6.223 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.732 3.936 -5.420 1.00 0.00 O ATOM 978 NE2 GLN A 50 18.312 4.561 -6.961 1.00 0.00 N ATOM 0 H GLN A 50 14.772 1.502 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 50 15.948 3.912 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.320 2.253 -4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.766 0.959 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.044 1.495 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.009 1.970 -7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.586 4.321 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.612 5.530 -6.858 1.00 0.00 H new ATOM 987 N LYS A 51 14.540 1.706 -7.550 1.00 0.00 N ATOM 988 CA LYS A 51 14.226 1.260 -8.925 1.00 0.00 C ATOM 989 C LYS A 51 13.003 1.964 -9.538 1.00 0.00 C ATOM 990 O LYS A 51 12.316 2.745 -8.882 1.00 0.00 O ATOM 991 CB LYS A 51 14.003 -0.268 -8.907 1.00 0.00 C ATOM 992 CG LYS A 51 15.186 -1.072 -8.336 1.00 0.00 C ATOM 993 CD LYS A 51 14.953 -2.587 -8.436 1.00 0.00 C ATOM 994 CE LYS A 51 13.799 -3.056 -7.538 1.00 0.00 C ATOM 995 NZ LYS A 51 13.517 -4.498 -7.728 1.00 0.00 N ATOM 0 H LYS A 51 14.022 1.183 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 51 15.073 1.528 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.112 -0.487 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.805 -0.607 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.097 -0.809 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.341 -0.797 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.737 -2.852 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.866 -3.113 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.049 -2.867 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.903 -2.476 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.584 -4.725 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.523 -4.722 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.246 -5.061 -7.245 1.00 0.00 H new ATOM 1009 N ASP A 52 12.709 1.642 -10.798 1.00 0.00 N ATOM 1010 CA ASP A 52 11.463 1.972 -11.514 1.00 0.00 C ATOM 1011 C ASP A 52 10.573 0.755 -11.862 1.00 0.00 C ATOM 1012 O ASP A 52 9.482 0.900 -12.419 1.00 0.00 O ATOM 1013 CB ASP A 52 11.700 2.923 -12.701 1.00 0.00 C ATOM 1014 CG ASP A 52 12.830 2.526 -13.671 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.339 1.381 -13.622 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.203 3.374 -14.517 1.00 0.00 O ATOM 0 H ASP A 52 13.361 1.118 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 52 10.864 2.527 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.773 3.002 -13.268 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.918 3.916 -12.307 1.00 0.00 H new ATOM 1021 N THR A 53 11.022 -0.446 -11.484 1.00 0.00 N ATOM 1022 CA THR A 53 10.337 -1.741 -11.653 1.00 0.00 C ATOM 1023 C THR A 53 10.536 -2.526 -10.350 1.00 0.00 C ATOM 1024 O THR A 53 11.596 -2.462 -9.719 1.00 0.00 O ATOM 1025 CB THR A 53 10.969 -2.590 -12.773 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.379 -2.473 -12.808 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.442 -2.211 -14.153 1.00 0.00 C ATOM 0 H THR A 53 11.926 -0.551 -11.024 1.00 0.00 H new ATOM 0 HA THR A 53 9.293 -1.549 -11.900 1.00 0.00 H new ATOM 0 HB THR A 53 10.689 -3.617 -12.537 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.736 -3.029 -13.532 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.917 -2.837 -14.908 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.363 -2.361 -14.184 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.669 -1.164 -14.354 1.00 0.00 H new ATOM 1035 N TYR A 54 9.516 -3.288 -9.947 1.00 0.00 N ATOM 1036 CA TYR A 54 9.435 -3.943 -8.632 1.00 0.00 C ATOM 1037 C TYR A 54 8.683 -5.279 -8.615 1.00 0.00 C ATOM 1038 O TYR A 54 7.834 -5.509 -9.472 1.00 0.00 O ATOM 1039 CB TYR A 54 8.777 -2.989 -7.621 1.00 0.00 C ATOM 1040 CG TYR A 54 9.582 -1.755 -7.277 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.573 -1.809 -6.278 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.338 -0.551 -7.968 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.321 -0.658 -5.966 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.094 0.596 -7.669 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.082 0.543 -6.666 1.00 0.00 C ATOM 1046 OH TYR A 54 11.832 1.641 -6.397 1.00 0.00 O ATOM 0 H TYR A 54 8.704 -3.473 -10.536 1.00 0.00 H new ATOM 0 HA TYR A 54 10.466 -4.175 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.812 -2.674 -8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.578 -3.541 -6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.759 -2.733 -5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.571 -0.510 -8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.075 -0.694 -5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.918 1.516 -8.207 1.00 0.00 H new ATOM 0 HH TYR A 54 12.026 2.117 -7.231 1.00 0.00 H new ATOM 1056 N THR A 55 8.959 -6.159 -7.652 1.00 0.00 N ATOM 1057 CA THR A 55 8.089 -7.320 -7.373 1.00 0.00 C ATOM 1058 C THR A 55 6.828 -6.939 -6.590 1.00 0.00 C ATOM 1059 O THR A 55 6.817 -5.917 -5.899 1.00 0.00 O ATOM 1060 CB THR A 55 8.808 -8.513 -6.728 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.897 -8.342 -5.329 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.210 -8.782 -7.267 1.00 0.00 C ATOM 0 H THR A 55 9.778 -6.096 -7.047 1.00 0.00 H new ATOM 0 HA THR A 55 7.777 -7.662 -8.360 1.00 0.00 H new ATOM 0 HB THR A 55 8.195 -9.376 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.356 -9.112 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.639 -9.642 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.155 -8.989 -8.336 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.839 -7.908 -7.098 1.00 0.00 H new ATOM 1070 N MET A 56 5.761 -7.744 -6.641 1.00 0.00 N ATOM 1071 CA MET A 56 4.582 -7.509 -5.795 1.00 0.00 C ATOM 1072 C MET A 56 4.915 -7.504 -4.295 1.00 0.00 C ATOM 1073 O MET A 56 4.405 -6.644 -3.573 1.00 0.00 O ATOM 1074 CB MET A 56 3.464 -8.515 -6.114 1.00 0.00 C ATOM 1075 CG MET A 56 2.669 -8.075 -7.348 1.00 0.00 C ATOM 1076 SD MET A 56 1.631 -6.609 -7.064 1.00 0.00 S ATOM 1077 CE MET A 56 1.157 -6.245 -8.772 1.00 0.00 C ATOM 0 H MET A 56 5.688 -8.557 -7.253 1.00 0.00 H new ATOM 0 HA MET A 56 4.222 -6.508 -6.033 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.895 -9.501 -6.287 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.795 -8.605 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.364 -7.865 -8.161 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.036 -8.900 -7.675 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.352 -5.510 -8.777 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.016 -5.846 -9.311 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.816 -7.159 -9.258 1.00 0.00 H new ATOM 1087 N LYS A 57 5.815 -8.380 -3.823 1.00 0.00 N ATOM 1088 CA LYS A 57 6.291 -8.348 -2.430 1.00 0.00 C ATOM 1089 C LYS A 57 7.115 -7.097 -2.113 1.00 0.00 C ATOM 1090 O LYS A 57 6.955 -6.548 -1.027 1.00 0.00 O ATOM 1091 CB LYS A 57 7.024 -9.651 -2.070 1.00 0.00 C ATOM 1092 CG LYS A 57 7.615 -9.595 -0.647 1.00 0.00 C ATOM 1093 CD LYS A 57 7.892 -10.994 -0.088 1.00 0.00 C ATOM 1094 CE LYS A 57 8.665 -10.972 1.240 1.00 0.00 C ATOM 1095 NZ LYS A 57 10.092 -10.603 1.059 1.00 0.00 N ATOM 0 H LYS A 57 6.229 -9.122 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 57 5.412 -8.282 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.333 -10.491 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.823 -9.831 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.541 -9.020 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.924 -9.071 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.945 -11.514 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.460 -11.566 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.193 -10.263 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.603 -11.954 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.590 -10.684 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.531 -11.242 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.156 -9.623 0.716 1.00 0.00 H new ATOM 1109 N GLU A 58 7.943 -6.602 -3.033 1.00 0.00 N ATOM 1110 CA GLU A 58 8.662 -5.331 -2.852 1.00 0.00 C ATOM 1111 C GLU A 58 7.714 -4.127 -2.728 1.00 0.00 C ATOM 1112 O GLU A 58 7.857 -3.333 -1.795 1.00 0.00 O ATOM 1113 CB GLU A 58 9.650 -5.094 -4.002 1.00 0.00 C ATOM 1114 CG GLU A 58 10.904 -5.975 -3.912 1.00 0.00 C ATOM 1115 CD GLU A 58 11.796 -5.868 -5.164 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.356 -5.335 -6.212 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.972 -6.298 -5.110 1.00 0.00 O ATOM 0 H GLU A 58 8.137 -7.064 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 58 9.209 -5.418 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.147 -5.285 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.949 -4.046 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.482 -5.689 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.604 -7.014 -3.772 1.00 0.00 H new ATOM 1124 N VAL A 59 6.715 -4.015 -3.616 1.00 0.00 N ATOM 1125 CA VAL A 59 5.696 -2.950 -3.549 1.00 0.00 C ATOM 1126 C VAL A 59 4.908 -3.043 -2.238 1.00 0.00 C ATOM 1127 O VAL A 59 4.786 -2.036 -1.540 1.00 0.00 O ATOM 1128 CB VAL A 59 4.746 -2.977 -4.766 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.688 -1.872 -4.701 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.495 -2.767 -6.088 1.00 0.00 C ATOM 0 H VAL A 59 6.588 -4.656 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 59 6.220 -1.995 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 59 4.282 -3.963 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.044 -1.933 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.087 -1.997 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.179 -0.899 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.786 -2.794 -6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.998 -1.800 -6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.234 -3.558 -6.217 1.00 0.00 H new ATOM 1140 N LEU A 60 4.426 -4.236 -1.858 1.00 0.00 N ATOM 1141 CA LEU A 60 3.749 -4.464 -0.575 1.00 0.00 C ATOM 1142 C LEU A 60 4.644 -4.089 0.615 1.00 0.00 C ATOM 1143 O LEU A 60 4.200 -3.339 1.479 1.00 0.00 O ATOM 1144 CB LEU A 60 3.293 -5.934 -0.460 1.00 0.00 C ATOM 1145 CG LEU A 60 2.039 -6.285 -1.286 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.854 -7.803 -1.331 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.772 -5.687 -0.671 1.00 0.00 C ATOM 0 H LEU A 60 4.496 -5.073 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 60 2.873 -3.817 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.112 -6.580 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.096 -6.158 0.588 1.00 0.00 H new ATOM 0 HG LEU A 60 2.188 -5.874 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.966 -8.044 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.728 -8.263 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.735 -8.185 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.090 -5.956 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.638 -6.077 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.864 -4.602 -0.631 1.00 0.00 H new ATOM 1159 N PHE A 61 5.898 -4.549 0.663 1.00 0.00 N ATOM 1160 CA PHE A 61 6.855 -4.163 1.705 1.00 0.00 C ATOM 1161 C PHE A 61 7.013 -2.657 1.929 1.00 0.00 C ATOM 1162 O PHE A 61 6.777 -2.158 3.033 1.00 0.00 O ATOM 1163 CB PHE A 61 8.195 -4.906 1.556 1.00 0.00 C ATOM 1164 CG PHE A 61 9.348 -4.275 2.318 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.521 -4.548 3.688 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.223 -3.380 1.671 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.553 -3.921 4.411 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.256 -2.756 2.393 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.420 -3.023 3.763 1.00 0.00 C ATOM 0 H PHE A 61 6.279 -5.202 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 61 6.402 -4.499 2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.068 -5.933 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.456 -4.952 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.859 -5.241 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.100 -3.173 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.679 -4.129 5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.925 -2.070 1.894 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.211 -2.539 4.317 1.00 0.00 H new ATOM 1179 N TYR A 62 7.349 -1.937 0.858 1.00 0.00 N ATOM 1180 CA TYR A 62 7.491 -0.481 0.864 1.00 0.00 C ATOM 1181 C TYR A 62 6.222 0.318 1.194 1.00 0.00 C ATOM 1182 O TYR A 62 6.267 1.262 1.982 1.00 0.00 O ATOM 1183 CB TYR A 62 8.148 0.005 -0.433 1.00 0.00 C ATOM 1184 CG TYR A 62 9.643 -0.229 -0.585 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.554 0.324 0.339 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.130 -0.942 -1.700 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.941 0.180 0.139 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.515 -1.104 -1.894 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.426 -0.534 -0.977 1.00 0.00 C ATOM 1190 OH TYR A 62 13.768 -0.667 -1.163 1.00 0.00 O ATOM 0 H TYR A 62 7.533 -2.357 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 62 8.148 -0.271 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.644 -0.479 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.962 1.075 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.187 0.859 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.436 -1.367 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.635 0.617 0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.880 -1.663 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 62 13.936 -1.187 -1.977 1.00 0.00 H new ATOM 1200 N LEU A 63 5.074 -0.092 0.646 1.00 0.00 N ATOM 1201 CA LEU A 63 3.767 0.477 0.969 1.00 0.00 C ATOM 1202 C LEU A 63 3.402 0.254 2.447 1.00 0.00 C ATOM 1203 O LEU A 63 2.927 1.177 3.107 1.00 0.00 O ATOM 1204 CB LEU A 63 2.737 -0.122 -0.006 1.00 0.00 C ATOM 1205 CG LEU A 63 1.274 0.246 0.281 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.042 1.750 0.320 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.377 -0.322 -0.818 1.00 0.00 C ATOM 0 H LEU A 63 5.029 -0.841 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 63 3.781 1.560 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.985 0.203 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.832 -1.208 0.012 1.00 0.00 H new ATOM 0 HG LEU A 63 1.037 -0.172 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.009 1.951 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.657 2.193 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.312 2.185 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.661 -0.060 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.673 0.095 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.478 -1.407 -0.846 1.00 0.00 H new ATOM 1219 N GLY A 64 3.717 -0.922 2.999 1.00 0.00 N ATOM 1220 CA GLY A 64 3.617 -1.194 4.433 1.00 0.00 C ATOM 1221 C GLY A 64 4.440 -0.196 5.254 1.00 0.00 C ATOM 1222 O GLY A 64 3.888 0.476 6.127 1.00 0.00 O ATOM 0 H GLY A 64 4.052 -1.718 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.573 -1.146 4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.963 -2.207 4.637 1.00 0.00 H new ATOM 1226 N GLN A 65 5.722 -0.008 4.913 1.00 0.00 N ATOM 1227 CA GLN A 65 6.589 0.975 5.579 1.00 0.00 C ATOM 1228 C GLN A 65 6.040 2.411 5.473 1.00 0.00 C ATOM 1229 O GLN A 65 6.187 3.184 6.421 1.00 0.00 O ATOM 1230 CB GLN A 65 8.032 0.946 5.030 1.00 0.00 C ATOM 1231 CG GLN A 65 8.777 -0.403 5.021 1.00 0.00 C ATOM 1232 CD GLN A 65 8.369 -1.369 6.133 1.00 0.00 C ATOM 1233 OE1 GLN A 65 8.666 -1.175 7.305 1.00 0.00 O ATOM 1234 NE2 GLN A 65 7.634 -2.411 5.810 1.00 0.00 N ATOM 0 H GLN A 65 6.187 -0.531 4.170 1.00 0.00 H new ATOM 0 HA GLN A 65 6.603 0.682 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.007 1.320 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.625 1.651 5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.610 -0.888 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.847 -0.211 5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.384 -2.576 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.314 -3.054 6.535 1.00 0.00 H new ATOM 1243 N TYR A 66 5.377 2.771 4.366 1.00 0.00 N ATOM 1244 CA TYR A 66 4.751 4.086 4.205 1.00 0.00 C ATOM 1245 C TYR A 66 3.553 4.274 5.144 1.00 0.00 C ATOM 1246 O TYR A 66 3.492 5.248 5.896 1.00 0.00 O ATOM 1247 CB TYR A 66 4.375 4.339 2.739 1.00 0.00 C ATOM 1248 CG TYR A 66 3.709 5.684 2.509 1.00 0.00 C ATOM 1249 CD1 TYR A 66 4.522 6.826 2.386 1.00 0.00 C ATOM 1250 CD2 TYR A 66 2.307 5.810 2.434 1.00 0.00 C ATOM 1251 CE1 TYR A 66 3.947 8.091 2.176 1.00 0.00 C ATOM 1252 CE2 TYR A 66 1.725 7.080 2.227 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.546 8.224 2.097 1.00 0.00 C ATOM 1254 OH TYR A 66 1.994 9.456 1.930 1.00 0.00 O ATOM 0 H TYR A 66 5.261 2.158 3.559 1.00 0.00 H new ATOM 0 HA TYR A 66 5.488 4.836 4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.274 4.278 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.705 3.548 2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.596 6.730 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.679 4.937 2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.579 8.961 2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.651 7.178 2.168 1.00 0.00 H new ATOM 0 HH TYR A 66 1.023 9.369 1.830 1.00 0.00 H new ATOM 1264 N ILE A 67 2.644 3.294 5.174 1.00 0.00 N ATOM 1265 CA ILE A 67 1.477 3.269 6.069 1.00 0.00 C ATOM 1266 C ILE A 67 1.909 3.309 7.544 1.00 0.00 C ATOM 1267 O ILE A 67 1.293 4.016 8.345 1.00 0.00 O ATOM 1268 CB ILE A 67 0.604 2.029 5.757 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.008 2.123 4.340 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.510 1.850 6.806 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.432 0.762 3.768 1.00 0.00 C ATOM 0 H ILE A 67 2.698 2.478 4.565 1.00 0.00 H new ATOM 0 HA ILE A 67 0.876 4.161 5.893 1.00 0.00 H new ATOM 0 HB ILE A 67 1.254 1.155 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.875 2.783 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.718 2.581 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.105 0.971 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.064 1.720 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.150 2.732 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.853 0.901 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.437 0.107 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.181 0.311 4.419 1.00 0.00 H new ATOM 1283 N MET A 68 2.997 2.612 7.890 1.00 0.00 N ATOM 1284 CA MET A 68 3.609 2.601 9.224 1.00 0.00 C ATOM 1285 C MET A 68 4.235 3.944 9.616 1.00 0.00 C ATOM 1286 O MET A 68 3.901 4.487 10.667 1.00 0.00 O ATOM 1287 CB MET A 68 4.646 1.469 9.305 1.00 0.00 C ATOM 1288 CG MET A 68 3.957 0.100 9.361 1.00 0.00 C ATOM 1289 SD MET A 68 4.882 -1.292 8.655 1.00 0.00 S ATOM 1290 CE MET A 68 6.253 -1.453 9.821 1.00 0.00 C ATOM 0 H MET A 68 3.494 2.019 7.225 1.00 0.00 H new ATOM 0 HA MET A 68 2.810 2.424 9.944 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.307 1.513 8.439 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.269 1.604 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.735 -0.129 10.403 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.002 0.176 8.841 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.902 -2.272 9.509 1.00 0.00 H new ATOM 0 HE2 MET A 68 6.824 -0.525 9.841 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.861 -1.660 10.817 1.00 0.00 H new ATOM 1300 N THR A 69 5.098 4.522 8.774 1.00 0.00 N ATOM 1301 CA THR A 69 5.727 5.827 9.050 1.00 0.00 C ATOM 1302 C THR A 69 4.760 7.016 9.097 1.00 0.00 C ATOM 1303 O THR A 69 4.917 7.925 9.915 1.00 0.00 O ATOM 1304 CB THR A 69 6.970 6.059 8.173 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.840 6.972 8.809 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.653 6.618 6.788 1.00 0.00 C ATOM 0 H THR A 69 5.382 4.106 7.887 1.00 0.00 H new ATOM 0 HA THR A 69 6.080 5.768 10.079 1.00 0.00 H new ATOM 0 HB THR A 69 7.425 5.077 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.631 7.116 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.579 6.754 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.007 5.922 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.146 7.578 6.890 1.00 0.00 H new ATOM 1314 N LYS A 70 3.690 6.972 8.290 1.00 0.00 N ATOM 1315 CA LYS A 70 2.570 7.933 8.293 1.00 0.00 C ATOM 1316 C LYS A 70 1.492 7.660 9.358 1.00 0.00 C ATOM 1317 O LYS A 70 0.685 8.548 9.638 1.00 0.00 O ATOM 1318 CB LYS A 70 1.942 7.946 6.889 1.00 0.00 C ATOM 1319 CG LYS A 70 2.845 8.517 5.780 1.00 0.00 C ATOM 1320 CD LYS A 70 2.923 10.051 5.742 1.00 0.00 C ATOM 1321 CE LYS A 70 1.575 10.661 5.328 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.636 12.141 5.221 1.00 0.00 N ATOM 0 H LYS A 70 3.574 6.240 7.590 1.00 0.00 H new ATOM 0 HA LYS A 70 2.985 8.906 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.664 6.927 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.022 8.529 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.851 8.119 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.482 8.161 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.211 10.428 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.698 10.362 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.268 10.242 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.813 10.383 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.719 12.503 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.853 12.548 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.379 12.410 4.544 1.00 0.00 H new ATOM 1336 N ARG A 71 1.463 6.451 9.940 1.00 0.00 N ATOM 1337 CA ARG A 71 0.451 5.940 10.891 1.00 0.00 C ATOM 1338 C ARG A 71 -0.994 6.070 10.372 1.00 0.00 C ATOM 1339 O ARG A 71 -1.876 6.576 11.068 1.00 0.00 O ATOM 1340 CB ARG A 71 0.646 6.506 12.317 1.00 0.00 C ATOM 1341 CG ARG A 71 1.988 6.153 12.987 1.00 0.00 C ATOM 1342 CD ARG A 71 3.126 7.146 12.698 1.00 0.00 C ATOM 1343 NE ARG A 71 2.861 8.468 13.303 1.00 0.00 N ATOM 1344 CZ ARG A 71 3.216 9.656 12.842 1.00 0.00 C ATOM 1345 NH1 ARG A 71 3.922 9.817 11.759 1.00 0.00 N ATOM 1346 NH2 ARG A 71 2.863 10.734 13.484 1.00 0.00 N ATOM 0 H ARG A 71 2.187 5.758 9.751 1.00 0.00 H new ATOM 0 HA ARG A 71 0.623 4.867 10.969 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.554 7.591 12.275 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.164 6.141 12.949 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.837 6.096 14.065 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.295 5.161 12.655 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.064 6.749 13.087 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.249 7.256 11.621 1.00 0.00 H new ATOM 0 HE ARG A 71 2.342 8.464 14.181 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.227 9.004 11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.169 10.756 11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.314 10.661 14.340 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.136 11.651 13.130 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.236 5.639 9.127 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.556 5.750 8.469 1.00 0.00 C ATOM 1362 C LEU A 72 -3.604 4.748 8.992 1.00 0.00 C ATOM 1363 O LEU A 72 -4.787 4.879 8.680 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.419 5.638 6.934 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.448 6.630 6.279 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.358 6.375 4.775 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.880 8.077 6.505 1.00 0.00 C ATOM 0 H LEU A 72 -0.524 5.202 8.542 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.930 6.740 8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.096 4.626 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.404 5.774 6.489 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.474 6.477 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.665 7.087 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.000 5.361 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.344 6.495 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.167 8.748 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.870 8.232 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.912 8.284 7.575 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.200 3.746 9.775 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.118 2.805 10.429 1.00 0.00 C ATOM 1381 C TYR A 73 -5.105 3.395 11.456 1.00 0.00 C ATOM 1382 O TYR A 73 -4.773 4.353 12.157 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.381 1.564 10.957 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.090 1.859 11.700 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.144 2.377 13.010 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.843 1.626 11.089 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.955 2.664 13.710 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.347 1.903 11.790 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.295 2.429 13.099 1.00 0.00 C ATOM 1390 OH TYR A 73 1.449 2.702 13.765 1.00 0.00 O ATOM 0 H TYR A 73 -2.217 3.561 9.976 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.782 2.496 9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.050 1.017 11.622 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.158 0.906 10.117 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.100 2.555 13.479 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.799 1.235 10.083 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.000 3.063 14.712 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.303 1.712 11.324 1.00 0.00 H new ATOM 0 HH TYR A 73 2.215 2.479 13.196 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.306 2.818 11.589 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.225 3.143 12.691 1.00 0.00 C ATOM 1402 C ASP A 74 -6.658 2.762 14.071 1.00 0.00 C ATOM 1403 O ASP A 74 -6.221 1.626 14.261 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.635 2.580 12.436 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.583 2.574 13.645 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.494 3.471 14.514 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.445 1.672 13.714 1.00 0.00 O ATOM 0 H ASP A 74 -6.668 2.118 10.942 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.325 4.228 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.098 3.160 11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.537 1.558 12.071 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.668 3.674 15.046 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.182 3.398 16.405 1.00 0.00 C ATOM 1414 C GLU A 75 -6.946 2.259 17.111 1.00 0.00 C ATOM 1415 O GLU A 75 -6.358 1.557 17.940 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.191 4.685 17.249 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.573 5.321 17.467 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.544 6.358 18.606 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.759 7.335 18.536 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.314 6.194 19.585 1.00 0.00 O ATOM 0 H GLU A 75 -7.013 4.625 14.918 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.155 3.046 16.305 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.754 4.464 18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.544 5.419 16.769 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.904 5.800 16.546 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.300 4.543 17.700 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.227 2.039 16.766 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.024 0.899 17.251 1.00 0.00 C ATOM 1429 C LYS A 76 -8.699 -0.359 16.432 1.00 0.00 C ATOM 1430 O LYS A 76 -8.059 -1.280 16.949 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.540 1.204 17.257 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.977 2.576 17.802 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.462 2.912 19.208 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.137 4.209 19.677 1.00 0.00 C ATOM 1435 NZ LYS A 76 -10.414 4.838 20.809 1.00 0.00 N ATOM 0 H LYS A 76 -8.743 2.654 16.136 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.749 0.715 18.289 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.907 1.113 16.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.038 0.432 17.844 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.636 3.349 17.113 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.066 2.616 17.812 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.685 2.098 19.898 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.379 3.032 19.196 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.188 4.912 18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.163 3.995 19.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.051 5.491 21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.090 4.100 21.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.593 5.364 20.447 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.088 -0.393 15.153 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.880 -1.537 14.261 1.00 0.00 C ATOM 1451 C GLN A 77 -7.676 -1.287 13.352 1.00 0.00 C ATOM 1452 O GLN A 77 -7.812 -0.769 12.245 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.151 -1.822 13.438 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.429 -2.071 14.253 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.248 -3.006 15.449 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.328 -2.602 16.603 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -10.852 -4.245 15.244 1.00 0.00 N ATOM 0 H GLN A 77 -9.564 0.388 14.702 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.671 -2.420 14.866 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.326 -0.978 12.770 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.967 -2.693 12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.809 -1.114 14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.189 -2.489 13.593 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.777 -4.606 14.293 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.620 -4.844 16.036 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.482 -1.702 13.779 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.255 -1.486 12.993 1.00 0.00 C ATOM 1468 C GLN A 78 -5.222 -2.318 11.692 1.00 0.00 C ATOM 1469 O GLN A 78 -4.384 -2.088 10.822 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.019 -1.668 13.887 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.942 -0.552 14.948 1.00 0.00 C ATOM 1472 CD GLN A 78 -2.751 -0.654 15.896 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -1.828 -1.435 15.723 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -2.725 0.134 16.948 1.00 0.00 N ATOM 0 H GLN A 78 -6.333 -2.189 14.663 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.246 -0.454 12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.060 -2.640 14.378 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.117 -1.657 13.275 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.903 0.411 14.440 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.859 -0.565 15.536 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.486 0.793 17.110 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.944 0.086 17.602 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.177 -3.241 11.528 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.480 -3.952 10.283 1.00 0.00 C ATOM 1485 C HIS A 79 -7.363 -3.127 9.311 1.00 0.00 C ATOM 1486 O HIS A 79 -7.868 -3.673 8.330 1.00 0.00 O ATOM 1487 CB HIS A 79 -7.097 -5.314 10.639 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.474 -5.261 11.257 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.636 -4.888 10.621 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.829 -5.718 12.497 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.665 -5.088 11.461 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.220 -5.589 12.626 1.00 0.00 N ATOM 0 H HIS A 79 -6.787 -3.525 12.295 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.553 -4.111 9.732 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.147 -5.919 9.734 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.427 -5.828 11.329 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -9.704 -4.521 9.672 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.156 -6.110 13.245 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.699 -4.877 11.233 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.583 -1.833 9.573 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.229 -0.850 8.683 1.00 0.00 C ATOM 1502 C ILE A 80 -7.302 0.365 8.526 1.00 0.00 C ATOM 1503 O ILE A 80 -6.708 0.832 9.501 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.631 -0.432 9.204 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.495 -1.663 9.566 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.347 0.463 8.172 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.917 -1.347 10.047 1.00 0.00 C ATOM 0 H ILE A 80 -7.301 -1.417 10.460 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.391 -1.309 7.708 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.489 0.143 10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.560 -2.310 8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.983 -2.229 10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.328 0.746 8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.754 1.360 7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.466 -0.084 7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.439 -2.276 10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.869 -0.729 10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.455 -0.811 9.265 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.178 0.887 7.302 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.309 2.018 6.936 1.00 0.00 C ATOM 1521 C VAL A 81 -7.137 3.175 6.379 1.00 0.00 C ATOM 1522 O VAL A 81 -7.894 3.002 5.427 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.224 1.578 5.933 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.283 2.727 5.552 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.356 0.446 6.494 1.00 0.00 C ATOM 0 H VAL A 81 -7.699 0.521 6.505 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.805 2.366 7.838 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.770 1.238 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.537 2.367 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.858 3.532 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.784 3.100 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.604 0.165 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.863 0.783 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.984 -0.416 6.719 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.965 4.364 6.959 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.593 5.631 6.578 1.00 0.00 C ATOM 1537 C TYR A 82 -6.759 6.519 5.646 1.00 0.00 C ATOM 1538 O TYR A 82 -6.265 7.583 6.024 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.216 6.332 7.795 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.509 5.685 8.259 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.465 4.521 9.051 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.752 6.224 7.872 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.659 3.894 9.451 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.949 5.600 8.274 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.906 4.430 9.065 1.00 0.00 C ATOM 1546 OH TYR A 82 -13.055 3.814 9.454 1.00 0.00 O ATOM 0 H TYR A 82 -6.343 4.475 7.760 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.428 5.381 5.923 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.499 6.326 8.616 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.408 7.376 7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.513 4.109 9.352 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.787 7.117 7.266 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.621 3.000 10.055 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.900 6.016 7.977 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.826 4.310 9.106 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.528 6.019 4.432 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.598 6.568 3.442 1.00 0.00 C ATOM 1558 C CYS A 83 -5.975 7.928 2.807 1.00 0.00 C ATOM 1559 O CYS A 83 -5.168 8.487 2.060 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.360 5.487 2.378 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.933 4.894 1.687 1.00 0.00 S ATOM 0 H CYS A 83 -7.005 5.183 4.096 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.685 6.820 3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.737 5.889 1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.815 4.652 2.818 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.697 3.983 0.790 1.00 0.00 H new ATOM 1567 N SER A 84 -7.169 8.465 3.092 1.00 0.00 N ATOM 1568 CA SER A 84 -7.701 9.723 2.539 1.00 0.00 C ATOM 1569 C SER A 84 -6.696 10.885 2.548 1.00 0.00 C ATOM 1570 O SER A 84 -6.096 11.191 3.581 1.00 0.00 O ATOM 1571 CB SER A 84 -8.948 10.151 3.324 1.00 0.00 C ATOM 1572 OG SER A 84 -9.485 11.350 2.788 1.00 0.00 O ATOM 0 H SER A 84 -7.818 8.019 3.740 1.00 0.00 H new ATOM 0 HA SER A 84 -7.938 9.511 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.698 9.361 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.692 10.297 4.373 1.00 0.00 H new ATOM 0 HG SER A 84 -9.493 11.296 1.810 1.00 0.00 H new ATOM 1578 N ASN A 85 -6.548 11.549 1.393 1.00 0.00 N ATOM 1579 CA ASN A 85 -5.708 12.729 1.108 1.00 0.00 C ATOM 1580 C ASN A 85 -4.182 12.598 1.336 1.00 0.00 C ATOM 1581 O ASN A 85 -3.409 13.307 0.689 1.00 0.00 O ATOM 1582 CB ASN A 85 -6.312 13.967 1.802 1.00 0.00 C ATOM 1583 CG ASN A 85 -7.576 14.468 1.119 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -7.553 15.414 0.344 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -8.722 13.886 1.395 1.00 0.00 N ATOM 0 H ASN A 85 -7.055 11.251 0.560 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.742 12.841 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.538 13.722 2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.571 14.767 1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.582 14.224 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.751 13.096 2.040 1.00 0.00 H new ATOM 1592 N ASP A 86 -3.717 11.664 2.167 1.00 0.00 N ATOM 1593 CA ASP A 86 -2.308 11.306 2.371 1.00 0.00 C ATOM 1594 C ASP A 86 -1.684 10.414 1.279 1.00 0.00 C ATOM 1595 O ASP A 86 -1.182 9.328 1.565 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.072 10.831 3.819 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.990 12.002 4.808 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -1.028 12.801 4.696 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -2.835 12.098 5.728 1.00 0.00 O ATOM 0 H ASP A 86 -4.344 11.106 2.747 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.734 12.223 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.880 10.163 4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.148 10.254 3.864 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.760 10.880 0.020 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.323 10.249 -1.246 1.00 0.00 C ATOM 1606 C LEU A 87 -1.997 8.902 -1.585 1.00 0.00 C ATOM 1607 O LEU A 87 -2.528 8.720 -2.680 1.00 0.00 O ATOM 1608 CB LEU A 87 0.222 10.201 -1.281 1.00 0.00 C ATOM 1609 CG LEU A 87 0.859 9.489 -2.490 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.455 10.094 -3.831 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.383 9.587 -2.398 1.00 0.00 C ATOM 0 H LEU A 87 -2.168 11.798 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.678 10.882 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.596 11.224 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.569 9.708 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 87 0.504 8.459 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.939 9.545 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.627 10.031 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.764 11.139 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.832 9.083 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.681 10.636 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.723 9.112 -1.478 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.005 7.961 -0.648 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.462 6.586 -0.813 1.00 0.00 C ATOM 1625 C LEU A 88 -3.967 6.453 -1.118 1.00 0.00 C ATOM 1626 O LEU A 88 -4.372 5.540 -1.839 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.032 5.840 0.459 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.386 4.348 0.467 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.713 3.621 -0.697 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -1.935 3.747 1.793 1.00 0.00 C ATOM 0 H LEU A 88 -1.675 8.147 0.299 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.006 6.144 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.954 5.946 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.499 6.317 1.321 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.464 4.233 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.980 2.565 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.048 4.055 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.631 3.724 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.180 2.685 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.858 3.873 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.444 4.253 2.614 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.797 7.380 -0.638 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.222 7.443 -0.988 1.00 0.00 C ATOM 1644 C GLY A 89 -6.473 7.665 -2.487 1.00 0.00 C ATOM 1645 O GLY A 89 -7.414 7.101 -3.045 1.00 0.00 O ATOM 0 H GLY A 89 -4.501 8.113 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.706 6.516 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.691 8.250 -0.425 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.592 8.407 -3.170 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.620 8.563 -4.631 1.00 0.00 C ATOM 1651 C ASP A 90 -5.141 7.340 -5.433 1.00 0.00 C ATOM 1652 O ASP A 90 -5.578 7.128 -6.567 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.904 9.855 -5.071 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.663 11.161 -4.768 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.843 11.137 -4.340 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -5.071 12.246 -4.987 1.00 0.00 O ATOM 0 H ASP A 90 -4.833 8.920 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.678 8.646 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.931 9.897 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.719 9.802 -6.144 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.283 6.504 -4.834 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.885 5.202 -5.380 1.00 0.00 C ATOM 1663 C LEU A 91 -5.013 4.166 -5.252 1.00 0.00 C ATOM 1664 O LEU A 91 -5.415 3.573 -6.256 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.625 4.692 -4.658 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.306 5.355 -5.074 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.227 4.953 -4.085 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.902 4.927 -6.485 1.00 0.00 C ATOM 0 H LEU A 91 -3.839 6.718 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.671 5.337 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.760 4.835 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.540 3.619 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.434 6.438 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.718 5.417 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.508 5.284 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.114 3.869 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.036 5.410 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.775 3.845 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.679 5.220 -7.191 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.535 3.949 -4.039 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.646 3.022 -3.797 1.00 0.00 C ATOM 1682 C PHE A 92 -8.031 3.438 -4.329 1.00 0.00 C ATOM 1683 O PHE A 92 -8.900 2.594 -4.545 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.672 2.520 -2.340 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.621 1.484 -1.969 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.584 0.241 -2.628 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.721 1.726 -0.918 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.633 -0.735 -2.274 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.783 0.745 -0.546 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.724 -0.477 -1.234 1.00 0.00 C ATOM 0 H PHE A 92 -5.198 4.413 -3.196 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.412 2.172 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.555 3.379 -1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.656 2.096 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.294 0.033 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.749 2.669 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.602 -1.678 -2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.105 0.933 0.273 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.983 -1.216 -0.965 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.238 4.740 -4.567 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.500 5.304 -5.066 1.00 0.00 C ATOM 1702 C GLY A 93 -10.616 5.387 -4.011 1.00 0.00 C ATOM 1703 O GLY A 93 -11.796 5.418 -4.367 1.00 0.00 O ATOM 0 H GLY A 93 -7.518 5.446 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.309 6.304 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.850 4.698 -5.902 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.256 5.393 -2.722 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.169 5.346 -1.561 1.00 0.00 C ATOM 1709 C VAL A 94 -10.572 6.168 -0.403 1.00 0.00 C ATOM 1710 O VAL A 94 -9.350 6.325 -0.325 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.390 3.896 -1.064 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.345 3.121 -1.972 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.102 3.077 -0.912 1.00 0.00 C ATOM 0 H VAL A 94 -9.276 5.432 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.127 5.758 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.825 4.023 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.472 2.109 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.312 3.624 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.933 3.077 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.347 2.075 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.598 3.010 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.444 3.564 -0.192 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.404 6.673 0.532 1.00 0.00 N ATOM 1724 CA PRO A 95 -10.932 7.338 1.752 1.00 0.00 C ATOM 1725 C PRO A 95 -10.323 6.366 2.782 1.00 0.00 C ATOM 1726 O PRO A 95 -9.521 6.777 3.624 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.178 8.029 2.320 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.324 7.124 1.864 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.862 6.667 0.485 1.00 0.00 C ATOM 0 HA PRO A 95 -10.122 8.032 1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.135 8.106 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.287 9.042 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.470 6.283 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.271 7.662 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.242 5.671 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.231 7.336 -0.293 1.00 0.00 H new ATOM 1737 N SER A 96 -10.704 5.086 2.730 1.00 0.00 N ATOM 1738 CA SER A 96 -10.229 4.023 3.623 1.00 0.00 C ATOM 1739 C SER A 96 -10.447 2.626 3.025 1.00 0.00 C ATOM 1740 O SER A 96 -11.290 2.446 2.141 1.00 0.00 O ATOM 1741 CB SER A 96 -10.924 4.121 4.991 1.00 0.00 C ATOM 1742 OG SER A 96 -12.328 3.943 4.877 1.00 0.00 O ATOM 0 H SER A 96 -11.376 4.749 2.040 1.00 0.00 H new ATOM 0 HA SER A 96 -9.156 4.165 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.514 3.367 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.715 5.093 5.437 1.00 0.00 H new ATOM 0 HG SER A 96 -12.739 4.009 5.764 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.700 1.629 3.507 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.831 0.226 3.085 1.00 0.00 C ATOM 1750 C PHE A 97 -9.420 -0.703 4.247 1.00 0.00 C ATOM 1751 O PHE A 97 -8.763 -0.290 5.207 1.00 0.00 O ATOM 1752 CB PHE A 97 -8.943 -0.018 1.849 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.452 -0.036 2.126 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.691 1.146 2.060 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.829 -1.245 2.474 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.313 1.116 2.342 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.459 -1.271 2.776 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.696 -0.098 2.697 1.00 0.00 C ATOM 0 H PHE A 97 -8.976 1.773 4.211 1.00 0.00 H new ATOM 0 HA PHE A 97 -10.866 0.011 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.226 -0.970 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.151 0.757 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.166 2.078 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.406 -2.157 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.730 2.023 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.991 -2.199 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.637 -0.126 2.908 1.00 0.00 H new ATOM 1768 N SER A 98 -9.811 -1.977 4.158 1.00 0.00 N ATOM 1769 CA SER A 98 -9.626 -2.996 5.200 1.00 0.00 C ATOM 1770 C SER A 98 -8.552 -4.041 4.851 1.00 0.00 C ATOM 1771 O SER A 98 -8.744 -4.870 3.961 1.00 0.00 O ATOM 1772 CB SER A 98 -10.981 -3.661 5.483 1.00 0.00 C ATOM 1773 OG SER A 98 -11.537 -4.198 4.291 1.00 0.00 O ATOM 0 H SER A 98 -10.282 -2.342 3.330 1.00 0.00 H new ATOM 0 HA SER A 98 -9.256 -2.497 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.855 -4.454 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.667 -2.931 5.913 1.00 0.00 H new ATOM 0 HG SER A 98 -10.824 -4.594 3.747 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.456 -4.074 5.618 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.425 -5.138 5.592 1.00 0.00 C ATOM 1781 C VAL A 99 -6.950 -6.527 5.975 1.00 0.00 C ATOM 1782 O VAL A 99 -6.410 -7.544 5.547 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.145 -4.771 6.381 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.909 -5.481 5.812 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.825 -3.269 6.388 1.00 0.00 C ATOM 0 H VAL A 99 -7.248 -3.342 6.297 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.140 -5.205 4.542 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.362 -5.094 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.029 -5.200 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.051 -6.560 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.768 -5.188 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.914 -3.094 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.682 -2.923 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.651 -2.723 6.844 1.00 0.00 H new ATOM 1795 N LYS A 100 -8.070 -6.562 6.710 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.877 -7.761 7.007 1.00 0.00 C ATOM 1797 C LYS A 100 -9.365 -8.497 5.744 1.00 0.00 C ATOM 1798 O LYS A 100 -9.555 -9.711 5.781 1.00 0.00 O ATOM 1799 CB LYS A 100 -10.057 -7.295 7.884 1.00 0.00 C ATOM 1800 CG LYS A 100 -11.068 -8.365 8.331 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.510 -9.453 9.262 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.962 -8.870 10.575 1.00 0.00 C ATOM 1803 NZ LYS A 100 -9.685 -9.938 11.570 1.00 0.00 N ATOM 0 H LYS A 100 -8.458 -5.720 7.134 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.261 -8.495 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.648 -6.823 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.601 -6.525 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.897 -7.869 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.478 -8.846 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.296 -10.174 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.716 -9.996 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.047 -8.313 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.681 -8.163 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.783 -9.741 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.451 -9.965 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.626 -10.857 11.086 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.558 -7.785 4.629 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.055 -8.327 3.354 1.00 0.00 C ATOM 1819 C GLU A 101 -8.967 -8.330 2.268 1.00 0.00 C ATOM 1820 O GLU A 101 -9.005 -7.555 1.310 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.327 -7.593 2.900 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.492 -7.754 3.889 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.850 -7.322 3.303 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.912 -6.848 2.141 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.880 -7.465 4.002 1.00 0.00 O ATOM 0 H GLU A 101 -9.368 -6.784 4.585 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.324 -9.370 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.105 -6.533 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.630 -7.971 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.553 -8.796 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.285 -7.165 4.783 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.001 -9.244 2.396 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.859 -9.391 1.480 1.00 0.00 C ATOM 1834 C HIS A 102 -7.274 -9.457 -0.005 1.00 0.00 C ATOM 1835 O HIS A 102 -6.678 -8.784 -0.849 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.082 -10.654 1.887 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.671 -10.677 3.342 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.749 -9.848 3.938 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.119 -11.536 4.311 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.661 -10.181 5.235 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.472 -11.217 5.511 1.00 0.00 N ATOM 0 H HIS A 102 -7.988 -9.921 3.158 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.232 -8.504 1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.697 -11.530 1.679 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.190 -10.736 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.846 -12.323 4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.027 -9.686 5.956 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.592 -11.678 6.413 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.370 -10.175 -0.303 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.997 -10.301 -1.636 1.00 0.00 C ATOM 1851 C ARG A 103 -9.294 -8.960 -2.320 1.00 0.00 C ATOM 1852 O ARG A 103 -9.170 -8.848 -3.540 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.271 -11.172 -1.511 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.396 -10.630 -0.595 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.460 -9.801 -1.333 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.396 -9.148 -0.388 1.00 0.00 N ATOM 1857 CZ ARG A 103 -14.707 -9.296 -0.312 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -15.364 -10.162 -1.030 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -15.392 -8.555 0.508 1.00 0.00 N ATOM 0 H ARG A 103 -8.868 -10.709 0.409 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.273 -10.786 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.684 -11.316 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.977 -12.155 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.884 -11.470 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.949 -10.015 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.971 -9.042 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.018 -10.446 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.978 -8.506 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.866 -10.763 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.377 -10.239 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.917 -7.864 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.404 -8.665 0.571 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.671 -7.943 -1.537 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.046 -6.602 -2.010 1.00 0.00 C ATOM 1875 C LYS A 104 -8.815 -5.735 -2.278 1.00 0.00 C ATOM 1876 O LYS A 104 -8.793 -4.983 -3.248 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.986 -5.991 -0.958 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.605 -4.642 -1.356 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.749 -4.260 -0.400 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.250 -4.002 1.029 1.00 0.00 C ATOM 1881 NZ LYS A 104 -13.347 -4.112 2.022 1.00 0.00 N ATOM 0 H LYS A 104 -9.726 -8.032 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.563 -6.662 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.790 -6.698 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.433 -5.861 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.839 -3.867 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.982 -4.697 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.250 -3.367 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.490 -5.059 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.464 -4.716 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.806 -3.008 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.963 -3.982 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.061 -3.380 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.787 -5.052 1.950 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.764 -5.889 -1.470 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.473 -5.225 -1.693 1.00 0.00 C ATOM 1897 C ILE A 105 -5.782 -5.780 -2.942 1.00 0.00 C ATOM 1898 O ILE A 105 -5.337 -4.991 -3.773 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.585 -5.304 -0.431 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.245 -4.472 0.689 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.158 -4.784 -0.698 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.586 -4.646 2.057 1.00 0.00 C ATOM 0 H ILE A 105 -7.782 -6.480 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.653 -4.166 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.498 -6.349 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.214 -3.418 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.296 -4.751 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.567 -4.857 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.693 -5.384 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.204 -3.743 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.105 -4.030 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.641 -5.693 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.542 -4.339 1.999 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.743 -7.105 -3.137 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.039 -7.715 -4.277 1.00 0.00 C ATOM 1916 C TYR A 106 -5.465 -7.181 -5.654 1.00 0.00 C ATOM 1917 O TYR A 106 -4.619 -6.825 -6.476 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.157 -9.247 -4.252 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.515 -9.981 -3.085 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.231 -9.641 -2.607 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.215 -11.054 -2.499 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.663 -10.356 -1.533 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.652 -11.770 -1.430 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.372 -11.429 -0.949 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.830 -12.158 0.060 1.00 0.00 O ATOM 0 H TYR A 106 -6.193 -7.779 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.998 -7.421 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.216 -9.503 -4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.721 -9.633 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.683 -8.831 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.190 -11.328 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.688 -10.084 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.200 -12.582 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.930 -11.824 0.258 1.00 0.00 H new ATOM 1935 N THR A 107 -6.778 -7.062 -5.887 1.00 0.00 N ATOM 1936 CA THR A 107 -7.327 -6.493 -7.130 1.00 0.00 C ATOM 1937 C THR A 107 -7.013 -5.011 -7.365 1.00 0.00 C ATOM 1938 O THR A 107 -6.709 -4.596 -8.486 1.00 0.00 O ATOM 1939 CB THR A 107 -8.816 -6.848 -7.303 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.143 -6.875 -8.676 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.772 -5.866 -6.627 1.00 0.00 C ATOM 0 H THR A 107 -7.492 -7.357 -5.221 1.00 0.00 H new ATOM 0 HA THR A 107 -6.783 -6.982 -7.938 1.00 0.00 H new ATOM 0 HB THR A 107 -8.941 -7.821 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.090 -7.103 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.801 -6.186 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.570 -5.840 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.628 -4.871 -7.047 1.00 0.00 H new ATOM 1949 N MET A 108 -6.999 -4.210 -6.293 1.00 0.00 N ATOM 1950 CA MET A 108 -6.601 -2.801 -6.358 1.00 0.00 C ATOM 1951 C MET A 108 -5.089 -2.630 -6.565 1.00 0.00 C ATOM 1952 O MET A 108 -4.681 -1.791 -7.364 1.00 0.00 O ATOM 1953 CB MET A 108 -7.065 -2.042 -5.111 1.00 0.00 C ATOM 1954 CG MET A 108 -8.593 -1.988 -4.977 1.00 0.00 C ATOM 1955 SD MET A 108 -9.220 -0.817 -3.734 1.00 0.00 S ATOM 1956 CE MET A 108 -8.637 -1.557 -2.183 1.00 0.00 C ATOM 0 H MET A 108 -7.263 -4.521 -5.358 1.00 0.00 H new ATOM 0 HA MET A 108 -7.095 -2.374 -7.230 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.645 -2.518 -4.225 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.672 -1.026 -5.144 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.018 -1.727 -5.946 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.956 -2.986 -4.729 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.491 -1.903 -1.601 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.984 -2.401 -2.405 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.085 -0.812 -1.609 1.00 0.00 H new ATOM 1966 N MET A 109 -4.253 -3.456 -5.927 1.00 0.00 N ATOM 1967 CA MET A 109 -2.796 -3.467 -6.128 1.00 0.00 C ATOM 1968 C MET A 109 -2.423 -3.858 -7.564 1.00 0.00 C ATOM 1969 O MET A 109 -1.558 -3.229 -8.176 1.00 0.00 O ATOM 1970 CB MET A 109 -2.123 -4.427 -5.133 1.00 0.00 C ATOM 1971 CG MET A 109 -2.190 -3.938 -3.680 1.00 0.00 C ATOM 1972 SD MET A 109 -1.294 -2.406 -3.309 1.00 0.00 S ATOM 1973 CE MET A 109 0.419 -2.956 -3.515 1.00 0.00 C ATOM 0 H MET A 109 -4.572 -4.146 -5.247 1.00 0.00 H new ATOM 0 HA MET A 109 -2.436 -2.454 -5.951 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.600 -5.405 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.079 -4.560 -5.417 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.237 -3.795 -3.415 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.802 -4.726 -3.035 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.058 -2.431 -2.805 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.481 -4.029 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.751 -2.740 -4.531 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.125 -4.841 -8.140 1.00 0.00 N ATOM 1984 CA ALA A 110 -2.967 -5.236 -9.541 1.00 0.00 C ATOM 1985 C ALA A 110 -3.354 -4.111 -10.527 1.00 0.00 C ATOM 1986 O ALA A 110 -2.785 -4.012 -11.617 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.811 -6.495 -9.765 1.00 0.00 C ATOM 0 H ALA A 110 -3.825 -5.389 -7.640 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.915 -5.440 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.716 -6.817 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.462 -7.289 -9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.856 -6.276 -9.548 1.00 0.00 H new ATOM 1993 N SER A 111 -4.283 -3.227 -10.140 1.00 0.00 N ATOM 1994 CA SER A 111 -4.697 -2.061 -10.937 1.00 0.00 C ATOM 1995 C SER A 111 -3.677 -0.907 -10.943 1.00 0.00 C ATOM 1996 O SER A 111 -3.741 -0.044 -11.818 1.00 0.00 O ATOM 1997 CB SER A 111 -6.063 -1.544 -10.459 1.00 0.00 C ATOM 1998 OG SER A 111 -7.073 -2.525 -10.652 1.00 0.00 O ATOM 0 H SER A 111 -4.777 -3.302 -9.251 1.00 0.00 H new ATOM 0 HA SER A 111 -4.763 -2.417 -11.965 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.006 -1.278 -9.404 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.323 -0.636 -11.003 1.00 0.00 H new ATOM 0 HG SER A 111 -6.999 -3.212 -9.957 1.00 0.00 H new ATOM 2004 N MET A 112 -2.710 -0.880 -10.013 1.00 0.00 N ATOM 2005 CA MET A 112 -1.681 0.177 -9.926 1.00 0.00 C ATOM 2006 C MET A 112 -0.515 0.030 -10.923 1.00 0.00 C ATOM 2007 O MET A 112 0.378 0.878 -10.959 1.00 0.00 O ATOM 2008 CB MET A 112 -1.144 0.307 -8.490 1.00 0.00 C ATOM 2009 CG MET A 112 -2.235 0.683 -7.485 1.00 0.00 C ATOM 2010 SD MET A 112 -1.641 0.876 -5.785 1.00 0.00 S ATOM 2011 CE MET A 112 -3.230 0.825 -4.927 1.00 0.00 C ATOM 0 H MET A 112 -2.616 -1.596 -9.292 1.00 0.00 H new ATOM 0 HA MET A 112 -2.197 1.093 -10.213 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.688 -0.637 -8.190 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.358 1.062 -8.467 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.701 1.615 -7.803 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.010 -0.083 -7.503 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.095 1.140 -3.892 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.932 1.496 -5.422 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.623 -0.192 -4.949 1.00 0.00 H new ATOM 2021 N THR A 113 -0.513 -1.031 -11.734 1.00 0.00 N ATOM 2022 CA THR A 113 0.545 -1.391 -12.701 1.00 0.00 C ATOM 2023 C THR A 113 0.123 -1.389 -14.181 1.00 0.00 C ATOM 2024 O THR A 113 0.877 -1.819 -15.058 1.00 0.00 O ATOM 2025 CB THR A 113 1.325 -2.651 -12.269 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.642 -3.810 -12.701 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.540 -2.788 -10.755 1.00 0.00 C ATOM 0 H THR A 113 -1.284 -1.699 -11.740 1.00 0.00 H new ATOM 0 HA THR A 113 1.250 -0.560 -12.661 1.00 0.00 H new ATOM 0 HB THR A 113 2.306 -2.543 -12.732 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.142 -4.606 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.096 -3.702 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.103 -1.930 -10.388 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.574 -2.830 -10.253 1.00 0.00 H new ATOM 2035 N GLY A 114 -1.077 -0.871 -14.472 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.658 -0.778 -15.818 1.00 0.00 C ATOM 2037 C GLY A 114 -2.704 0.338 -15.958 1.00 0.00 C ATOM 2038 O GLY A 114 -2.764 1.260 -15.140 1.00 0.00 O ATOM 0 H GLY A 114 -1.692 -0.492 -13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.859 -0.608 -16.539 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.120 -1.732 -16.073 1.00 0.00 H new ATOM 2042 N GLY A 115 -3.531 0.257 -17.006 1.00 0.00 N ATOM 2043 CA GLY A 115 -4.530 1.279 -17.356 1.00 0.00 C ATOM 2044 C GLY A 115 -3.928 2.545 -17.991 1.00 0.00 C ATOM 2045 O GLY A 115 -2.772 2.554 -18.424 1.00 0.00 O ATOM 0 H GLY A 115 -3.527 -0.535 -17.649 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.252 0.845 -18.047 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.078 1.560 -16.457 1.00 0.00 H new ATOM 2049 N GLN A 116 -4.725 3.616 -18.060 1.00 0.00 N ATOM 2050 CA GLN A 116 -4.335 4.920 -18.623 1.00 0.00 C ATOM 2051 C GLN A 116 -5.082 6.090 -17.956 1.00 0.00 C ATOM 2052 O GLN A 116 -6.221 5.948 -17.504 1.00 0.00 O ATOM 2053 CB GLN A 116 -4.526 4.922 -20.154 1.00 0.00 C ATOM 2054 CG GLN A 116 -5.979 4.701 -20.615 1.00 0.00 C ATOM 2055 CD GLN A 116 -6.113 4.744 -22.137 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -6.530 5.732 -22.730 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -5.607 3.754 -22.847 1.00 0.00 N ATOM 0 H GLN A 116 -5.686 3.603 -17.718 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.277 5.071 -18.409 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -4.173 5.874 -20.551 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -3.898 4.143 -20.587 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.333 3.738 -20.248 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.619 5.465 -20.174 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -5.253 2.920 -22.379 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -5.570 3.823 -23.864 1.00 0.00 H new ATOM 2066 N GLN A 117 -4.434 7.257 -17.902 1.00 0.00 N ATOM 2067 CA GLN A 117 -4.982 8.504 -17.356 1.00 0.00 C ATOM 2068 C GLN A 117 -5.997 9.166 -18.309 1.00 0.00 C ATOM 2069 O GLN A 117 -5.914 9.015 -19.531 1.00 0.00 O ATOM 2070 CB GLN A 117 -3.842 9.490 -17.030 1.00 0.00 C ATOM 2071 CG GLN A 117 -2.843 8.995 -15.964 1.00 0.00 C ATOM 2072 CD GLN A 117 -1.774 8.012 -16.459 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -1.617 7.725 -17.640 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -0.990 7.448 -15.565 1.00 0.00 N ATOM 0 H GLN A 117 -3.481 7.364 -18.249 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.516 8.247 -16.441 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.295 9.707 -17.947 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -4.279 10.429 -16.690 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.342 9.861 -15.532 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.404 8.518 -15.160 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.101 7.671 -14.576 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.271 6.788 -15.861 1.00 0.00 H new ATOM 2083 N MET A 118 -6.931 9.950 -17.755 1.00 0.00 N ATOM 2084 CA MET A 118 -7.917 10.735 -18.525 1.00 0.00 C ATOM 2085 C MET A 118 -7.341 12.015 -19.173 1.00 0.00 C ATOM 2086 O MET A 118 -8.014 12.638 -20.001 1.00 0.00 O ATOM 2087 CB MET A 118 -9.131 11.059 -17.633 1.00 0.00 C ATOM 2088 CG MET A 118 -8.813 11.987 -16.449 1.00 0.00 C ATOM 2089 SD MET A 118 -10.258 12.498 -15.472 1.00 0.00 S ATOM 2090 CE MET A 118 -10.719 10.924 -14.694 1.00 0.00 C ATOM 0 H MET A 118 -7.028 10.061 -16.746 1.00 0.00 H new ATOM 0 HA MET A 118 -8.228 10.111 -19.363 1.00 0.00 H new ATOM 0 HB2 MET A 118 -9.905 11.522 -18.246 1.00 0.00 H new ATOM 0 HB3 MET A 118 -9.544 10.127 -17.249 1.00 0.00 H new ATOM 0 HG2 MET A 118 -8.106 11.483 -15.790 1.00 0.00 H new ATOM 0 HG3 MET A 118 -8.315 12.879 -16.828 1.00 0.00 H new ATOM 0 HE1 MET A 118 -11.525 11.093 -13.980 1.00 0.00 H new ATOM 0 HE2 MET A 118 -11.054 10.224 -15.460 1.00 0.00 H new ATOM 0 HE3 MET A 118 -9.855 10.508 -14.175 1.00 0.00 H new ATOM 2100 N GLY A 119 -6.110 12.412 -18.815 1.00 0.00 N ATOM 2101 CA GLY A 119 -5.428 13.632 -19.282 1.00 0.00 C ATOM 2102 C GLY A 119 -5.960 14.914 -18.633 1.00 0.00 C ATOM 2103 O GLY A 119 -5.973 14.986 -17.384 1.00 0.00 O ATOM 2104 OXT GLY A 119 -6.335 15.847 -19.378 1.00 0.00 O ATOM 0 H GLY A 119 -5.538 11.871 -18.166 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.361 13.545 -19.075 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.538 13.709 -20.364 1.00 0.00 H new TER 2108 GLY A 119