USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc=-0.00077 X(o=-0.076,f=0.18) USER MOD Set 1.2: A 99 THR OG1 : rot -100:sc= -0.0751 USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.773 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.83 K(o=-2.6,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 160:sc= -0.25 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.36) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.88 K(o=-3.9,f=-5.8!) USER MOD Single : A 45 SER OG : rot 130:sc= 0 USER MOD Single : A 46 THR OG1 : rot -97:sc= 1.27 USER MOD Single : A 65 CYS SG : rot -26:sc= 0.0451 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0276 F(o=-0.53,f=-0.028) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 55:sc= 1.23 USER MOD Single : A 77 SER OG : rot 180:sc= -0.602! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -0.173 (180deg=-0.834) USER MOD Single : A 97 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.87) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 90:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -5.220 10.220 3.219 1.00 71.13 N ATOM 78 CA ASP A 8 -5.278 8.817 2.824 1.00 5.25 C ATOM 79 C ASP A 8 -4.170 8.016 3.501 1.00 2.44 C ATOM 80 O ASP A 8 -4.307 6.813 3.721 1.00 31.23 O ATOM 81 CB ASP A 8 -5.162 8.689 1.304 1.00 75.32 C ATOM 82 CG ASP A 8 -6.514 8.693 0.618 1.00 53.11 C ATOM 83 OD1 ASP A 8 -7.384 7.891 1.016 1.00 62.25 O ATOM 84 OD2 ASP A 8 -6.702 9.500 -0.316 1.00 20.31 O ATOM 0 HA ASP A 8 -6.239 8.414 3.143 1.00 5.25 H new ATOM 0 HB2 ASP A 8 -4.559 9.511 0.918 1.00 75.32 H new ATOM 0 HB3 ASP A 8 -4.636 7.766 1.059 1.00 75.32 H new ATOM 89 N TRP A 9 -3.074 8.692 3.827 1.00 70.24 N ATOM 90 CA TRP A 9 -1.942 8.041 4.478 1.00 12.12 C ATOM 91 C TRP A 9 -2.254 7.741 5.940 1.00 33.42 C ATOM 92 O TRP A 9 -2.330 6.580 6.343 1.00 14.32 O ATOM 93 CB TRP A 9 -0.696 8.923 4.380 1.00 2.01 C ATOM 94 CG TRP A 9 0.473 8.388 5.149 1.00 33.43 C ATOM 95 CD1 TRP A 9 1.089 8.972 6.218 1.00 43.31 C ATOM 96 CD2 TRP A 9 1.168 7.159 4.906 1.00 11.44 C ATOM 97 NE1 TRP A 9 2.125 8.182 6.654 1.00 42.35 N ATOM 98 CE2 TRP A 9 2.194 7.064 5.867 1.00 32.13 C ATOM 99 CE3 TRP A 9 1.024 6.130 3.972 1.00 4.15 C ATOM 100 CZ2 TRP A 9 3.068 5.981 5.917 1.00 24.01 C ATOM 101 CZ3 TRP A 9 1.892 5.057 4.022 1.00 1.32 C ATOM 102 CH2 TRP A 9 2.904 4.989 4.990 1.00 42.04 C ATOM 0 H TRP A 9 -2.945 9.689 3.652 1.00 70.24 H new ATOM 0 HA TRP A 9 -1.753 7.098 3.966 1.00 12.12 H new ATOM 0 HB2 TRP A 9 -0.415 9.027 3.332 1.00 2.01 H new ATOM 0 HB3 TRP A 9 -0.937 9.921 4.746 1.00 2.01 H new ATOM 0 HD1 TRP A 9 0.804 9.917 6.657 1.00 43.31 H new ATOM 0 HE1 TRP A 9 2.743 8.394 7.437 1.00 42.35 H new ATOM 0 HE3 TRP A 9 0.247 6.173 3.223 1.00 4.15 H new ATOM 0 HZ2 TRP A 9 3.848 5.926 6.662 1.00 24.01 H new ATOM 0 HZ3 TRP A 9 1.790 4.257 3.304 1.00 1.32 H new ATOM 0 HH2 TRP A 9 3.567 4.137 5.004 1.00 42.04 H new ATOM 113 N LYS A 10 -2.433 8.793 6.730 1.00 51.33 N ATOM 114 CA LYS A 10 -2.738 8.643 8.148 1.00 54.14 C ATOM 115 C LYS A 10 -4.002 7.813 8.348 1.00 3.32 C ATOM 116 O LYS A 10 -4.112 7.053 9.309 1.00 45.20 O ATOM 117 CB LYS A 10 -2.907 10.016 8.803 1.00 21.10 C ATOM 118 CG LYS A 10 -1.702 10.454 9.616 1.00 53.14 C ATOM 119 CD LYS A 10 -1.807 11.913 10.027 1.00 4.14 C ATOM 120 CE LYS A 10 -1.232 12.145 11.416 1.00 74.23 C ATOM 121 NZ LYS A 10 -1.687 13.438 11.997 1.00 74.41 N ATOM 0 H LYS A 10 -2.372 9.760 6.412 1.00 51.33 H new ATOM 0 HA LYS A 10 -1.905 8.123 8.620 1.00 54.14 H new ATOM 0 HB2 LYS A 10 -3.101 10.758 8.028 1.00 21.10 H new ATOM 0 HB3 LYS A 10 -3.784 9.995 9.451 1.00 21.10 H new ATOM 0 HG2 LYS A 10 -1.616 9.830 10.505 1.00 53.14 H new ATOM 0 HG3 LYS A 10 -0.794 10.304 9.032 1.00 53.14 H new ATOM 0 HD2 LYS A 10 -1.277 12.534 9.305 1.00 4.14 H new ATOM 0 HD3 LYS A 10 -2.852 12.223 10.008 1.00 4.14 H new ATOM 0 HE2 LYS A 10 -1.529 11.327 12.073 1.00 74.23 H new ATOM 0 HE3 LYS A 10 -0.143 12.133 11.365 1.00 74.23 H new ATOM 0 HZ1 LYS A 10 -1.273 13.558 12.943 1.00 74.41 H new ATOM 0 HZ2 LYS A 10 -1.382 14.221 11.384 1.00 74.41 H new ATOM 0 HZ3 LYS A 10 -2.724 13.440 12.070 1.00 74.41 H new ATOM 135 N MET A 11 -4.954 7.964 7.432 1.00 60.21 N ATOM 136 CA MET A 11 -6.210 7.226 7.506 1.00 52.12 C ATOM 137 C MET A 11 -5.995 5.752 7.178 1.00 51.11 C ATOM 138 O MET A 11 -6.638 4.877 7.757 1.00 22.32 O ATOM 139 CB MET A 11 -7.238 7.829 6.548 1.00 5.44 C ATOM 140 CG MET A 11 -8.559 7.077 6.523 1.00 2.03 C ATOM 141 SD MET A 11 -9.882 8.024 5.744 1.00 33.21 S ATOM 142 CE MET A 11 -10.732 8.665 7.185 1.00 13.54 C ATOM 0 H MET A 11 -4.879 8.590 6.630 1.00 60.21 H new ATOM 0 HA MET A 11 -6.587 7.302 8.526 1.00 52.12 H new ATOM 0 HB2 MET A 11 -7.424 8.865 6.832 1.00 5.44 H new ATOM 0 HB3 MET A 11 -6.819 7.845 5.542 1.00 5.44 H new ATOM 0 HG2 MET A 11 -8.427 6.136 5.988 1.00 2.03 H new ATOM 0 HG3 MET A 11 -8.849 6.826 7.543 1.00 2.03 H new ATOM 0 HE1 MET A 11 -11.578 9.274 6.867 1.00 13.54 H new ATOM 0 HE2 MET A 11 -11.090 7.836 7.795 1.00 13.54 H new ATOM 0 HE3 MET A 11 -10.045 9.276 7.771 1.00 13.54 H new ATOM 152 N ALA A 12 -5.086 5.485 6.246 1.00 53.21 N ATOM 153 CA ALA A 12 -4.785 4.117 5.843 1.00 15.14 C ATOM 154 C ALA A 12 -4.195 3.320 7.001 1.00 34.11 C ATOM 155 O ALA A 12 -4.535 2.153 7.200 1.00 2.33 O ATOM 156 CB ALA A 12 -3.831 4.114 4.657 1.00 4.13 C ATOM 0 H ALA A 12 -4.545 6.198 5.756 1.00 53.21 H new ATOM 0 HA ALA A 12 -5.718 3.639 5.546 1.00 15.14 H new ATOM 0 HB1 ALA A 12 -3.615 3.086 4.367 1.00 4.13 H new ATOM 0 HB2 ALA A 12 -4.290 4.639 3.819 1.00 4.13 H new ATOM 0 HB3 ALA A 12 -2.904 4.615 4.935 1.00 4.13 H new ATOM 162 N ILE A 13 -3.309 3.956 7.760 1.00 22.21 N ATOM 163 CA ILE A 13 -2.673 3.306 8.899 1.00 34.11 C ATOM 164 C ILE A 13 -3.671 3.076 10.029 1.00 14.21 C ATOM 165 O ILE A 13 -3.888 1.943 10.459 1.00 30.30 O ATOM 166 CB ILE A 13 -1.491 4.136 9.433 1.00 1.11 C ATOM 167 CG1 ILE A 13 -0.434 4.318 8.343 1.00 14.52 C ATOM 168 CG2 ILE A 13 -0.886 3.468 10.659 1.00 61.21 C ATOM 169 CD1 ILE A 13 0.226 3.024 7.919 1.00 1.05 C ATOM 0 H ILE A 13 -3.015 4.921 7.607 1.00 22.21 H new ATOM 0 HA ILE A 13 -2.300 2.344 8.546 1.00 34.11 H new ATOM 0 HB ILE A 13 -1.859 5.120 9.724 1.00 1.11 H new ATOM 0 HG12 ILE A 13 -0.898 4.782 7.473 1.00 14.52 H new ATOM 0 HG13 ILE A 13 0.331 5.006 8.702 1.00 14.52 H new ATOM 0 HG21 ILE A 13 -0.052 4.066 11.025 1.00 61.21 H new ATOM 0 HG22 ILE A 13 -1.643 3.385 11.439 1.00 61.21 H new ATOM 0 HG23 ILE A 13 -0.529 2.473 10.393 1.00 61.21 H new ATOM 0 HD11 ILE A 13 0.964 3.229 7.144 1.00 1.05 H new ATOM 0 HD12 ILE A 13 0.719 2.569 8.778 1.00 1.05 H new ATOM 0 HD13 ILE A 13 -0.529 2.341 7.530 1.00 1.05 H new ATOM 181 N LYS A 14 -4.275 4.158 10.505 1.00 45.42 N ATOM 182 CA LYS A 14 -5.253 4.076 11.585 1.00 25.52 C ATOM 183 C LYS A 14 -6.333 3.047 11.263 1.00 53.25 C ATOM 184 O LYS A 14 -6.833 2.362 12.154 1.00 64.24 O ATOM 185 CB LYS A 14 -5.893 5.446 11.824 1.00 64.53 C ATOM 186 CG LYS A 14 -6.506 5.596 13.206 1.00 63.23 C ATOM 187 CD LYS A 14 -6.101 6.909 13.856 1.00 14.25 C ATOM 188 CE LYS A 14 -6.204 6.837 15.371 1.00 43.34 C ATOM 189 NZ LYS A 14 -5.004 6.199 15.979 1.00 12.03 N ATOM 0 H LYS A 14 -4.105 5.103 10.161 1.00 45.42 H new ATOM 0 HA LYS A 14 -4.734 3.761 12.490 1.00 25.52 H new ATOM 0 HB2 LYS A 14 -5.138 6.220 11.684 1.00 64.53 H new ATOM 0 HB3 LYS A 14 -6.665 5.614 11.073 1.00 64.53 H new ATOM 0 HG2 LYS A 14 -7.592 5.546 13.131 1.00 63.23 H new ATOM 0 HG3 LYS A 14 -6.192 4.764 13.837 1.00 63.23 H new ATOM 0 HD2 LYS A 14 -5.078 7.157 13.571 1.00 14.25 H new ATOM 0 HD3 LYS A 14 -6.738 7.712 13.485 1.00 14.25 H new ATOM 0 HE2 LYS A 14 -6.325 7.842 15.775 1.00 43.34 H new ATOM 0 HE3 LYS A 14 -7.095 6.273 15.648 1.00 43.34 H new ATOM 0 HZ1 LYS A 14 -5.113 6.169 17.013 1.00 12.03 H new ATOM 0 HZ2 LYS A 14 -4.903 5.231 15.613 1.00 12.03 H new ATOM 0 HZ3 LYS A 14 -4.157 6.751 15.736 1.00 12.03 H new ATOM 203 N ARG A 15 -6.684 2.944 9.986 1.00 52.12 N ATOM 204 CA ARG A 15 -7.703 1.998 9.548 1.00 43.04 C ATOM 205 C ARG A 15 -7.106 0.608 9.348 1.00 0.50 C ATOM 206 O ARG A 15 -7.801 -0.401 9.473 1.00 23.33 O ATOM 207 CB ARG A 15 -8.351 2.479 8.249 1.00 32.25 C ATOM 208 CG ARG A 15 -9.304 3.648 8.438 1.00 63.22 C ATOM 209 CD ARG A 15 -10.107 3.923 7.176 1.00 60.31 C ATOM 210 NE ARG A 15 -11.497 3.494 7.309 1.00 44.20 N ATOM 211 CZ ARG A 15 -12.404 4.153 8.021 1.00 52.34 C ATOM 212 NH1 ARG A 15 -12.070 5.263 8.664 1.00 0.54 N ATOM 213 NH2 ARG A 15 -13.650 3.700 8.094 1.00 31.03 N ATOM 0 H ARG A 15 -6.278 3.504 9.236 1.00 52.12 H new ATOM 0 HA ARG A 15 -8.465 1.938 10.325 1.00 43.04 H new ATOM 0 HB2 ARG A 15 -7.568 2.770 7.549 1.00 32.25 H new ATOM 0 HB3 ARG A 15 -8.893 1.650 7.795 1.00 32.25 H new ATOM 0 HG2 ARG A 15 -9.983 3.435 9.263 1.00 63.22 H new ATOM 0 HG3 ARG A 15 -8.739 4.539 8.712 1.00 63.22 H new ATOM 0 HD2 ARG A 15 -10.076 4.989 6.952 1.00 60.31 H new ATOM 0 HD3 ARG A 15 -9.647 3.407 6.334 1.00 60.31 H new ATOM 0 HE ARG A 15 -11.787 2.642 6.829 1.00 44.20 H new ATOM 0 HH11 ARG A 15 -11.114 5.614 8.613 1.00 0.54 H new ATOM 0 HH12 ARG A 15 -12.769 5.766 9.210 1.00 0.54 H new ATOM 0 HH21 ARG A 15 -13.911 2.845 7.603 1.00 31.03 H new ATOM 0 HH22 ARG A 15 -14.346 4.207 8.641 1.00 31.03 H new ATOM 227 N CYS A 16 -5.816 0.565 9.037 1.00 33.31 N ATOM 228 CA CYS A 16 -5.125 -0.700 8.818 1.00 34.34 C ATOM 229 C CYS A 16 -5.160 -1.564 10.075 1.00 20.21 C ATOM 230 O CYS A 16 -5.455 -2.758 10.011 1.00 72.04 O ATOM 231 CB CYS A 16 -3.675 -0.449 8.400 1.00 24.43 C ATOM 232 SG CYS A 16 -2.674 -1.948 8.265 1.00 54.33 S ATOM 0 H CYS A 16 -5.227 1.391 8.931 1.00 33.31 H new ATOM 0 HA CYS A 16 -5.640 -1.231 8.018 1.00 34.34 H new ATOM 0 HB2 CYS A 16 -3.669 0.066 7.439 1.00 24.43 H new ATOM 0 HB3 CYS A 16 -3.211 0.221 9.124 1.00 24.43 H new ATOM 0 HG CYS A 16 -1.634 -1.710 7.522 1.00 54.33 H new ATOM 238 N SER A 17 -4.857 -0.954 11.215 1.00 44.34 N ATOM 239 CA SER A 17 -4.850 -1.668 12.487 1.00 14.34 C ATOM 240 C SER A 17 -6.262 -2.084 12.884 1.00 70.31 C ATOM 241 O SER A 17 -6.451 -2.886 13.798 1.00 74.52 O ATOM 242 CB SER A 17 -4.235 -0.795 13.583 1.00 24.31 C ATOM 243 OG SER A 17 -4.909 0.448 13.682 1.00 51.13 O ATOM 0 H SER A 17 -4.613 0.034 11.285 1.00 44.34 H new ATOM 0 HA SER A 17 -4.246 -2.567 12.367 1.00 14.34 H new ATOM 0 HB2 SER A 17 -4.285 -1.317 14.539 1.00 24.31 H new ATOM 0 HB3 SER A 17 -3.180 -0.624 13.368 1.00 24.31 H new ATOM 0 HG SER A 17 -4.499 0.987 14.390 1.00 51.13 H new ATOM 249 N ASN A 18 -7.252 -1.532 12.191 1.00 25.22 N ATOM 250 CA ASN A 18 -8.649 -1.844 12.471 1.00 1.10 C ATOM 251 C ASN A 18 -8.973 -3.283 12.081 1.00 41.34 C ATOM 252 O ASN A 18 -9.904 -3.887 12.614 1.00 63.52 O ATOM 253 CB ASN A 18 -9.570 -0.880 11.720 1.00 12.01 C ATOM 254 CG ASN A 18 -10.955 -0.809 12.333 1.00 25.04 C ATOM 255 OD1 ASN A 18 -11.240 0.069 13.147 1.00 63.13 O ATOM 256 ND2 ASN A 18 -11.823 -1.734 11.942 1.00 42.34 N ATOM 0 H ASN A 18 -7.113 -0.866 11.431 1.00 25.22 H new ATOM 0 HA ASN A 18 -8.813 -1.731 13.543 1.00 1.10 H new ATOM 0 HB2 ASN A 18 -9.125 0.115 11.717 1.00 12.01 H new ATOM 0 HB3 ASN A 18 -9.652 -1.196 10.680 1.00 12.01 H new ATOM 0 HD21 ASN A 18 -12.771 -1.736 12.319 1.00 42.34 H new ATOM 0 HD22 ASN A 18 -11.542 -2.443 11.264 1.00 42.34 H new ATOM 263 N VAL A 19 -8.198 -3.826 11.148 1.00 42.13 N ATOM 264 CA VAL A 19 -8.401 -5.195 10.687 1.00 40.11 C ATOM 265 C VAL A 19 -7.670 -6.190 11.581 1.00 50.22 C ATOM 266 O VAL A 19 -6.619 -5.881 12.142 1.00 71.00 O ATOM 267 CB VAL A 19 -7.918 -5.375 9.236 1.00 65.42 C ATOM 268 CG1 VAL A 19 -8.520 -4.306 8.337 1.00 33.22 C ATOM 269 CG2 VAL A 19 -6.399 -5.346 9.172 1.00 61.41 C ATOM 0 H VAL A 19 -7.424 -3.339 10.696 1.00 42.13 H new ATOM 0 HA VAL A 19 -9.473 -5.389 10.733 1.00 40.11 H new ATOM 0 HB VAL A 19 -8.254 -6.348 8.877 1.00 65.42 H new ATOM 0 HG11 VAL A 19 -8.168 -4.449 7.315 1.00 33.22 H new ATOM 0 HG12 VAL A 19 -9.607 -4.381 8.360 1.00 33.22 H new ATOM 0 HG13 VAL A 19 -8.217 -3.320 8.691 1.00 33.22 H new ATOM 0 HG21 VAL A 19 -6.076 -5.475 8.139 1.00 61.41 H new ATOM 0 HG22 VAL A 19 -6.037 -4.389 9.549 1.00 61.41 H new ATOM 0 HG23 VAL A 19 -5.994 -6.153 9.782 1.00 61.41 H new ATOM 279 N ALA A 20 -8.234 -7.387 11.710 1.00 10.24 N ATOM 280 CA ALA A 20 -7.635 -8.429 12.534 1.00 14.51 C ATOM 281 C ALA A 20 -6.776 -9.368 11.694 1.00 21.33 C ATOM 282 O ALA A 20 -7.292 -10.139 10.885 1.00 62.52 O ATOM 283 CB ALA A 20 -8.716 -9.210 13.266 1.00 32.33 C ATOM 0 H ALA A 20 -9.105 -7.659 11.254 1.00 10.24 H new ATOM 0 HA ALA A 20 -6.989 -7.950 13.269 1.00 14.51 H new ATOM 0 HB1 ALA A 20 -8.254 -9.985 13.878 1.00 32.33 H new ATOM 0 HB2 ALA A 20 -9.284 -8.534 13.905 1.00 32.33 H new ATOM 0 HB3 ALA A 20 -9.386 -9.672 12.540 1.00 32.33 H new ATOM 289 N VAL A 21 -5.463 -9.298 11.889 1.00 44.11 N ATOM 290 CA VAL A 21 -4.534 -10.142 11.148 1.00 52.45 C ATOM 291 C VAL A 21 -4.842 -11.620 11.365 1.00 42.43 C ATOM 292 O VAL A 21 -4.532 -12.459 10.521 1.00 1.52 O ATOM 293 CB VAL A 21 -3.076 -9.867 11.561 1.00 55.22 C ATOM 294 CG1 VAL A 21 -2.112 -10.593 10.635 1.00 23.42 C ATOM 295 CG2 VAL A 21 -2.797 -8.372 11.568 1.00 1.51 C ATOM 0 H VAL A 21 -5.019 -8.665 12.554 1.00 44.11 H new ATOM 0 HA VAL A 21 -4.657 -9.899 10.093 1.00 52.45 H new ATOM 0 HB VAL A 21 -2.926 -10.246 12.572 1.00 55.22 H new ATOM 0 HG11 VAL A 21 -1.087 -10.387 10.943 1.00 23.42 H new ATOM 0 HG12 VAL A 21 -2.297 -11.666 10.686 1.00 23.42 H new ATOM 0 HG13 VAL A 21 -2.260 -10.247 9.612 1.00 23.42 H new ATOM 0 HG21 VAL A 21 -1.762 -8.196 11.862 1.00 1.51 H new ATOM 0 HG22 VAL A 21 -2.965 -7.966 10.570 1.00 1.51 H new ATOM 0 HG23 VAL A 21 -3.464 -7.881 12.276 1.00 1.51 H new ATOM 375 N LYS A 28 -5.090 -10.694 17.164 1.00 60.43 N ATOM 376 CA LYS A 28 -4.013 -9.768 16.838 1.00 21.02 C ATOM 377 C LYS A 28 -4.360 -8.942 15.603 1.00 51.24 C ATOM 378 O LYS A 28 -4.598 -9.487 14.525 1.00 14.43 O ATOM 379 CB LYS A 28 -2.708 -10.532 16.602 1.00 61.43 C ATOM 380 CG LYS A 28 -2.127 -11.146 17.864 1.00 0.45 C ATOM 381 CD LYS A 28 -0.608 -11.194 17.812 1.00 42.31 C ATOM 382 CE LYS A 28 -0.107 -12.583 17.453 1.00 53.35 C ATOM 383 NZ LYS A 28 0.831 -12.553 16.297 1.00 75.21 N ATOM 0 HA LYS A 28 -3.883 -9.091 17.682 1.00 21.02 H new ATOM 0 HB2 LYS A 28 -2.886 -11.322 15.872 1.00 61.43 H new ATOM 0 HB3 LYS A 28 -1.974 -9.855 16.166 1.00 61.43 H new ATOM 0 HG2 LYS A 28 -2.444 -10.567 18.731 1.00 0.45 H new ATOM 0 HG3 LYS A 28 -2.520 -12.155 17.993 1.00 0.45 H new ATOM 0 HD2 LYS A 28 -0.245 -10.474 17.078 1.00 42.31 H new ATOM 0 HD3 LYS A 28 -0.200 -10.897 18.778 1.00 42.31 H new ATOM 0 HE2 LYS A 28 0.394 -13.023 18.316 1.00 53.35 H new ATOM 0 HE3 LYS A 28 -0.955 -13.225 17.216 1.00 53.35 H new ATOM 0 HZ1 LYS A 28 1.150 -13.520 16.084 1.00 75.21 H new ATOM 0 HZ2 LYS A 28 0.346 -12.157 15.467 1.00 75.21 H new ATOM 0 HZ3 LYS A 28 1.653 -11.961 16.532 1.00 75.21 H new ATOM 397 N LYS A 29 -4.387 -7.624 15.767 1.00 44.20 N ATOM 398 CA LYS A 29 -4.703 -6.721 14.667 1.00 12.15 C ATOM 399 C LYS A 29 -3.430 -6.161 14.040 1.00 42.42 C ATOM 400 O LYS A 29 -2.349 -6.248 14.623 1.00 13.12 O ATOM 401 CB LYS A 29 -5.590 -5.575 15.157 1.00 55.21 C ATOM 402 CG LYS A 29 -4.841 -4.532 15.969 1.00 43.42 C ATOM 403 CD LYS A 29 -5.753 -3.849 16.974 1.00 41.45 C ATOM 404 CE LYS A 29 -5.043 -2.705 17.683 1.00 52.42 C ATOM 405 NZ LYS A 29 -5.996 -1.839 18.431 1.00 23.42 N ATOM 0 H LYS A 29 -4.193 -7.157 16.653 1.00 44.20 H new ATOM 0 HA LYS A 29 -5.242 -7.289 13.908 1.00 12.15 H new ATOM 0 HB2 LYS A 29 -6.052 -5.091 14.297 1.00 55.21 H new ATOM 0 HB3 LYS A 29 -6.397 -5.985 15.764 1.00 55.21 H new ATOM 0 HG2 LYS A 29 -4.010 -5.005 16.493 1.00 43.42 H new ATOM 0 HG3 LYS A 29 -4.413 -3.786 15.299 1.00 43.42 H new ATOM 0 HD2 LYS A 29 -6.638 -3.469 16.464 1.00 41.45 H new ATOM 0 HD3 LYS A 29 -6.096 -4.577 17.709 1.00 41.45 H new ATOM 0 HE2 LYS A 29 -4.302 -3.109 18.372 1.00 52.42 H new ATOM 0 HE3 LYS A 29 -4.503 -2.104 16.951 1.00 52.42 H new ATOM 0 HZ1 LYS A 29 -5.473 -1.072 18.900 1.00 23.42 H new ATOM 0 HZ2 LYS A 29 -6.688 -1.433 17.770 1.00 23.42 H new ATOM 0 HZ3 LYS A 29 -6.493 -2.407 19.147 1.00 23.42 H new ATOM 419 N PHE A 30 -3.565 -5.585 12.850 1.00 41.51 N ATOM 420 CA PHE A 30 -2.425 -5.010 12.145 1.00 40.33 C ATOM 421 C PHE A 30 -1.999 -3.691 12.785 1.00 70.52 C ATOM 422 O PHE A 30 -2.576 -3.256 13.780 1.00 64.21 O ATOM 423 CB PHE A 30 -2.770 -4.786 10.672 1.00 32.32 C ATOM 424 CG PHE A 30 -2.165 -5.808 9.753 1.00 14.14 C ATOM 425 CD1 PHE A 30 -0.800 -6.049 9.767 1.00 51.03 C ATOM 426 CD2 PHE A 30 -2.959 -6.526 8.874 1.00 71.31 C ATOM 427 CE1 PHE A 30 -0.239 -6.990 8.923 1.00 21.11 C ATOM 428 CE2 PHE A 30 -2.404 -7.468 8.028 1.00 15.13 C ATOM 429 CZ PHE A 30 -1.042 -7.699 8.052 1.00 23.53 C ATOM 0 H PHE A 30 -4.452 -5.504 12.354 1.00 41.51 H new ATOM 0 HA PHE A 30 -1.595 -5.713 12.214 1.00 40.33 H new ATOM 0 HB2 PHE A 30 -3.854 -4.800 10.555 1.00 32.32 H new ATOM 0 HB3 PHE A 30 -2.430 -3.794 10.374 1.00 32.32 H new ATOM 0 HD1 PHE A 30 -0.167 -5.495 10.445 1.00 51.03 H new ATOM 0 HD2 PHE A 30 -4.024 -6.348 8.849 1.00 71.31 H new ATOM 0 HE1 PHE A 30 0.826 -7.170 8.945 1.00 21.11 H new ATOM 0 HE2 PHE A 30 -3.034 -8.023 7.349 1.00 15.13 H new ATOM 0 HZ PHE A 30 -0.606 -8.433 7.390 1.00 23.53 H new ATOM 439 N GLY A 31 -0.982 -3.061 12.206 1.00 3.14 N ATOM 440 CA GLY A 31 -0.495 -1.799 12.732 1.00 40.41 C ATOM 441 C GLY A 31 0.532 -1.150 11.824 1.00 51.24 C ATOM 442 O GLY A 31 0.957 -1.743 10.834 1.00 53.11 O ATOM 0 H GLY A 31 -0.486 -3.402 11.382 1.00 3.14 H new ATOM 0 HA2 GLY A 31 -1.335 -1.118 12.870 1.00 40.41 H new ATOM 0 HA3 GLY A 31 -0.054 -1.965 13.715 1.00 40.41 H new ATOM 446 N GLU A 32 0.929 0.073 12.162 1.00 1.50 N ATOM 447 CA GLU A 32 1.909 0.803 11.368 1.00 1.43 C ATOM 448 C GLU A 32 3.206 0.009 11.241 1.00 0.21 C ATOM 449 O GLU A 32 3.753 -0.136 10.148 1.00 72.13 O ATOM 450 CB GLU A 32 2.194 2.169 11.998 1.00 70.04 C ATOM 451 CG GLU A 32 3.183 3.009 11.208 1.00 53.01 C ATOM 452 CD GLU A 32 3.618 4.255 11.956 1.00 65.14 C ATOM 453 OE1 GLU A 32 3.710 4.198 13.200 1.00 72.42 O ATOM 454 OE2 GLU A 32 3.866 5.287 11.298 1.00 60.43 O ATOM 0 H GLU A 32 0.587 0.578 12.980 1.00 1.50 H new ATOM 0 HA GLU A 32 1.494 0.950 10.371 1.00 1.43 H new ATOM 0 HB2 GLU A 32 1.257 2.719 12.092 1.00 70.04 H new ATOM 0 HB3 GLU A 32 2.580 2.021 13.007 1.00 70.04 H new ATOM 0 HG2 GLU A 32 4.060 2.406 10.973 1.00 53.01 H new ATOM 0 HG3 GLU A 32 2.732 3.298 10.259 1.00 53.01 H new ATOM 461 N GLY A 33 3.694 -0.502 12.367 1.00 63.12 N ATOM 462 CA GLY A 33 4.922 -1.274 12.360 1.00 74.13 C ATOM 463 C GLY A 33 4.814 -2.530 11.516 1.00 3.44 C ATOM 464 O GLY A 33 5.656 -2.781 10.656 1.00 1.35 O ATOM 0 H GLY A 33 3.260 -0.395 13.284 1.00 63.12 H new ATOM 0 HA2 GLY A 33 5.735 -0.654 11.981 1.00 74.13 H new ATOM 0 HA3 GLY A 33 5.181 -1.549 13.383 1.00 74.13 H new ATOM 468 N ASN A 34 3.775 -3.319 11.764 1.00 62.44 N ATOM 469 CA ASN A 34 3.561 -4.557 11.022 1.00 4.32 C ATOM 470 C ASN A 34 3.438 -4.279 9.527 1.00 21.32 C ATOM 471 O ASN A 34 4.080 -4.937 8.707 1.00 42.11 O ATOM 472 CB ASN A 34 2.303 -5.266 11.525 1.00 22.30 C ATOM 473 CG ASN A 34 2.334 -5.507 13.022 1.00 22.14 C ATOM 474 OD1 ASN A 34 1.906 -4.661 13.807 1.00 71.33 O ATOM 475 ND2 ASN A 34 2.844 -6.666 13.424 1.00 43.42 N ATOM 0 H ASN A 34 3.068 -3.124 12.473 1.00 62.44 H new ATOM 0 HA ASN A 34 4.424 -5.203 11.184 1.00 4.32 H new ATOM 0 HB2 ASN A 34 1.427 -4.667 11.274 1.00 22.30 H new ATOM 0 HB3 ASN A 34 2.196 -6.220 11.008 1.00 22.30 H new ATOM 0 HD21 ASN A 34 2.892 -6.884 14.419 1.00 43.42 H new ATOM 0 HD22 ASN A 34 3.187 -7.338 12.737 1.00 43.42 H new ATOM 482 N PHE A 35 2.610 -3.300 9.178 1.00 2.31 N ATOM 483 CA PHE A 35 2.402 -2.934 7.782 1.00 71.51 C ATOM 484 C PHE A 35 3.733 -2.667 7.085 1.00 42.51 C ATOM 485 O PHE A 35 3.947 -3.088 5.949 1.00 13.30 O ATOM 486 CB PHE A 35 1.504 -1.700 7.683 1.00 50.41 C ATOM 487 CG PHE A 35 1.409 -1.137 6.294 1.00 3.33 C ATOM 488 CD1 PHE A 35 1.132 -1.961 5.215 1.00 53.42 C ATOM 489 CD2 PHE A 35 1.596 0.217 6.066 1.00 4.40 C ATOM 490 CE1 PHE A 35 1.044 -1.447 3.936 1.00 52.21 C ATOM 491 CE2 PHE A 35 1.509 0.737 4.789 1.00 5.14 C ATOM 492 CZ PHE A 35 1.233 -0.096 3.722 1.00 4.43 C ATOM 0 H PHE A 35 2.072 -2.745 9.844 1.00 2.31 H new ATOM 0 HA PHE A 35 1.913 -3.770 7.283 1.00 71.51 H new ATOM 0 HB2 PHE A 35 0.504 -1.960 8.030 1.00 50.41 H new ATOM 0 HB3 PHE A 35 1.884 -0.929 8.354 1.00 50.41 H new ATOM 0 HD1 PHE A 35 0.983 -3.018 5.376 1.00 53.42 H new ATOM 0 HD2 PHE A 35 1.812 0.873 6.896 1.00 4.40 H new ATOM 0 HE1 PHE A 35 0.828 -2.101 3.104 1.00 52.21 H new ATOM 0 HE2 PHE A 35 1.657 1.794 4.625 1.00 5.14 H new ATOM 0 HZ PHE A 35 1.165 0.308 2.723 1.00 4.43 H new ATOM 502 N ARG A 36 4.624 -1.961 7.777 1.00 30.53 N ATOM 503 CA ARG A 36 5.933 -1.635 7.225 1.00 12.30 C ATOM 504 C ARG A 36 6.749 -2.900 6.977 1.00 1.20 C ATOM 505 O ARG A 36 7.293 -3.096 5.890 1.00 24.12 O ATOM 506 CB ARG A 36 6.691 -0.704 8.173 1.00 40.42 C ATOM 507 CG ARG A 36 5.970 0.607 8.444 1.00 53.20 C ATOM 508 CD ARG A 36 6.538 1.739 7.602 1.00 53.40 C ATOM 509 NE ARG A 36 6.237 3.049 8.172 1.00 4.34 N ATOM 510 CZ ARG A 36 6.876 4.163 7.832 1.00 65.33 C ATOM 511 NH1 ARG A 36 7.846 4.125 6.929 1.00 42.53 N ATOM 512 NH2 ARG A 36 6.543 5.318 8.395 1.00 73.01 N ATOM 0 H ARG A 36 4.462 -1.605 8.719 1.00 30.53 H new ATOM 0 HA ARG A 36 5.782 -1.128 6.272 1.00 12.30 H new ATOM 0 HB2 ARG A 36 6.858 -1.220 9.119 1.00 40.42 H new ATOM 0 HB3 ARG A 36 7.672 -0.489 7.750 1.00 40.42 H new ATOM 0 HG2 ARG A 36 4.908 0.490 8.230 1.00 53.20 H new ATOM 0 HG3 ARG A 36 6.056 0.859 9.501 1.00 53.20 H new ATOM 0 HD2 ARG A 36 7.618 1.620 7.516 1.00 53.40 H new ATOM 0 HD3 ARG A 36 6.130 1.680 6.593 1.00 53.40 H new ATOM 0 HE ARG A 36 5.495 3.112 8.869 1.00 4.34 H new ATOM 0 HH11 ARG A 36 8.103 3.239 6.494 1.00 42.53 H new ATOM 0 HH12 ARG A 36 8.335 4.982 6.670 1.00 42.53 H new ATOM 0 HH21 ARG A 36 5.796 5.350 9.089 1.00 73.01 H new ATOM 0 HH22 ARG A 36 7.034 6.173 8.134 1.00 73.01 H new ATOM 526 N TRP A 37 6.831 -3.753 7.992 1.00 11.04 N ATOM 527 CA TRP A 37 7.581 -4.999 7.883 1.00 53.32 C ATOM 528 C TRP A 37 7.158 -5.785 6.647 1.00 3.10 C ATOM 529 O TRP A 37 7.975 -6.454 6.015 1.00 54.25 O ATOM 530 CB TRP A 37 7.379 -5.851 9.138 1.00 1.44 C ATOM 531 CG TRP A 37 7.895 -7.251 8.994 1.00 32.52 C ATOM 532 CD1 TRP A 37 9.096 -7.731 9.431 1.00 35.11 C ATOM 533 CD2 TRP A 37 7.224 -8.351 8.370 1.00 20.04 C ATOM 534 NE1 TRP A 37 9.213 -9.063 9.116 1.00 21.42 N ATOM 535 CE2 TRP A 37 8.078 -9.468 8.465 1.00 25.31 C ATOM 536 CE3 TRP A 37 5.985 -8.502 7.740 1.00 72.32 C ATOM 537 CZ2 TRP A 37 7.731 -10.715 7.953 1.00 65.01 C ATOM 538 CZ3 TRP A 37 5.643 -9.741 7.234 1.00 22.53 C ATOM 539 CH2 TRP A 37 6.511 -10.835 7.342 1.00 55.41 C ATOM 0 H TRP A 37 6.388 -3.605 8.899 1.00 11.04 H new ATOM 0 HA TRP A 37 8.638 -4.750 7.787 1.00 53.32 H new ATOM 0 HB2 TRP A 37 7.880 -5.371 9.979 1.00 1.44 H new ATOM 0 HB3 TRP A 37 6.316 -5.886 9.378 1.00 1.44 H new ATOM 0 HD1 TRP A 37 9.844 -7.149 9.948 1.00 35.11 H new ATOM 0 HE1 TRP A 37 10.015 -9.655 9.332 1.00 21.42 H new ATOM 0 HE3 TRP A 37 5.308 -7.665 7.651 1.00 72.32 H new ATOM 0 HZ2 TRP A 37 8.400 -11.559 8.035 1.00 65.01 H new ATOM 0 HZ3 TRP A 37 4.688 -9.869 6.746 1.00 22.53 H new ATOM 0 HH2 TRP A 37 6.213 -11.790 6.936 1.00 55.41 H new ATOM 550 N ALA A 38 5.876 -5.697 6.305 1.00 41.25 N ATOM 551 CA ALA A 38 5.346 -6.398 5.144 1.00 21.23 C ATOM 552 C ALA A 38 5.855 -5.777 3.848 1.00 13.21 C ATOM 553 O ALA A 38 6.531 -6.435 3.056 1.00 52.22 O ATOM 554 CB ALA A 38 3.824 -6.391 5.171 1.00 42.40 C ATOM 0 H ALA A 38 5.186 -5.147 6.817 1.00 41.25 H new ATOM 0 HA ALA A 38 5.695 -7.430 5.184 1.00 21.23 H new ATOM 0 HB1 ALA A 38 3.442 -6.919 4.297 1.00 42.40 H new ATOM 0 HB2 ALA A 38 3.474 -6.887 6.076 1.00 42.40 H new ATOM 0 HB3 ALA A 38 3.465 -5.362 5.159 1.00 42.40 H new ATOM 560 N ILE A 39 5.527 -4.507 3.637 1.00 21.35 N ATOM 561 CA ILE A 39 5.953 -3.798 2.437 1.00 1.30 C ATOM 562 C ILE A 39 7.469 -3.844 2.279 1.00 53.31 C ATOM 563 O ILE A 39 7.984 -3.943 1.166 1.00 14.23 O ATOM 564 CB ILE A 39 5.496 -2.327 2.460 1.00 44.10 C ATOM 565 CG1 ILE A 39 5.961 -1.646 3.748 1.00 41.35 C ATOM 566 CG2 ILE A 39 3.983 -2.240 2.326 1.00 63.52 C ATOM 567 CD1 ILE A 39 5.508 -0.208 3.869 1.00 13.44 C ATOM 0 H ILE A 39 4.968 -3.948 4.281 1.00 21.35 H new ATOM 0 HA ILE A 39 5.486 -4.303 1.591 1.00 1.30 H new ATOM 0 HB ILE A 39 5.947 -1.809 1.614 1.00 44.10 H new ATOM 0 HG12 ILE A 39 5.587 -2.209 4.603 1.00 41.35 H new ATOM 0 HG13 ILE A 39 7.049 -1.681 3.795 1.00 41.35 H new ATOM 0 HG21 ILE A 39 3.676 -1.194 2.344 1.00 63.52 H new ATOM 0 HG22 ILE A 39 3.675 -2.693 1.384 1.00 63.52 H new ATOM 0 HG23 ILE A 39 3.513 -2.770 3.154 1.00 63.52 H new ATOM 0 HD11 ILE A 39 5.874 0.211 4.806 1.00 13.44 H new ATOM 0 HD12 ILE A 39 5.904 0.370 3.034 1.00 13.44 H new ATOM 0 HD13 ILE A 39 4.419 -0.167 3.854 1.00 13.44 H new ATOM 579 N ARG A 40 8.177 -3.774 3.401 1.00 52.24 N ATOM 580 CA ARG A 40 9.635 -3.809 3.388 1.00 22.13 C ATOM 581 C ARG A 40 10.141 -5.124 2.803 1.00 12.45 C ATOM 582 O ARG A 40 10.947 -5.130 1.873 1.00 31.33 O ATOM 583 CB ARG A 40 10.184 -3.624 4.804 1.00 40.43 C ATOM 584 CG ARG A 40 11.687 -3.400 4.850 1.00 44.44 C ATOM 585 CD ARG A 40 12.166 -3.136 6.269 1.00 11.41 C ATOM 586 NE ARG A 40 13.052 -4.193 6.752 1.00 42.24 N ATOM 587 CZ ARG A 40 13.828 -4.068 7.823 1.00 71.14 C ATOM 588 NH1 ARG A 40 13.827 -2.939 8.519 1.00 74.15 N ATOM 589 NH2 ARG A 40 14.605 -5.074 8.201 1.00 34.44 N ATOM 0 H ARG A 40 7.765 -3.693 4.331 1.00 52.24 H new ATOM 0 HA ARG A 40 9.988 -2.991 2.760 1.00 22.13 H new ATOM 0 HB2 ARG A 40 9.684 -2.775 5.270 1.00 40.43 H new ATOM 0 HB3 ARG A 40 9.938 -4.504 5.398 1.00 40.43 H new ATOM 0 HG2 ARG A 40 12.199 -4.274 4.448 1.00 44.44 H new ATOM 0 HG3 ARG A 40 11.950 -2.556 4.213 1.00 44.44 H new ATOM 0 HD2 ARG A 40 12.689 -2.180 6.303 1.00 11.41 H new ATOM 0 HD3 ARG A 40 11.305 -3.052 6.933 1.00 11.41 H new ATOM 0 HE ARG A 40 13.076 -5.074 6.239 1.00 42.24 H new ATOM 0 HH11 ARG A 40 13.229 -2.164 8.232 1.00 74.15 H new ATOM 0 HH12 ARG A 40 14.424 -2.846 9.341 1.00 74.15 H new ATOM 0 HH21 ARG A 40 14.607 -5.944 7.669 1.00 34.44 H new ATOM 0 HH22 ARG A 40 15.201 -4.977 9.023 1.00 34.44 H new ATOM 603 N MET A 41 9.665 -6.234 3.355 1.00 65.30 N ATOM 604 CA MET A 41 10.069 -7.555 2.886 1.00 42.51 C ATOM 605 C MET A 41 9.573 -7.803 1.466 1.00 75.32 C ATOM 606 O MET A 41 10.303 -8.329 0.626 1.00 73.42 O ATOM 607 CB MET A 41 9.532 -8.638 3.824 1.00 35.15 C ATOM 608 CG MET A 41 10.176 -9.999 3.613 1.00 14.43 C ATOM 609 SD MET A 41 10.173 -11.008 5.107 1.00 34.25 S ATOM 610 CE MET A 41 11.892 -11.508 5.181 1.00 63.23 C ATOM 0 H MET A 41 8.999 -6.246 4.128 1.00 65.30 H new ATOM 0 HA MET A 41 11.158 -7.595 2.883 1.00 42.51 H new ATOM 0 HB2 MET A 41 9.692 -8.325 4.856 1.00 35.15 H new ATOM 0 HB3 MET A 41 8.455 -8.729 3.682 1.00 35.15 H new ATOM 0 HG2 MET A 41 9.646 -10.528 2.821 1.00 14.43 H new ATOM 0 HG3 MET A 41 11.203 -9.862 3.274 1.00 14.43 H new ATOM 0 HE1 MET A 41 12.050 -12.140 6.055 1.00 63.23 H new ATOM 0 HE2 MET A 41 12.148 -12.065 4.280 1.00 63.23 H new ATOM 0 HE3 MET A 41 12.525 -10.624 5.254 1.00 63.23 H new ATOM 620 N ALA A 42 8.327 -7.423 1.203 1.00 1.32 N ATOM 621 CA ALA A 42 7.735 -7.602 -0.116 1.00 74.35 C ATOM 622 C ALA A 42 8.492 -6.803 -1.171 1.00 31.34 C ATOM 623 O ALA A 42 8.658 -7.254 -2.304 1.00 52.13 O ATOM 624 CB ALA A 42 6.268 -7.198 -0.096 1.00 13.11 C ATOM 0 H ALA A 42 7.708 -6.989 1.887 1.00 1.32 H new ATOM 0 HA ALA A 42 7.806 -8.658 -0.378 1.00 74.35 H new ATOM 0 HB1 ALA A 42 5.839 -7.337 -1.088 1.00 13.11 H new ATOM 0 HB2 ALA A 42 5.730 -7.817 0.622 1.00 13.11 H new ATOM 0 HB3 ALA A 42 6.183 -6.150 0.193 1.00 13.11 H new ATOM 630 N ASN A 43 8.948 -5.614 -0.792 1.00 61.10 N ATOM 631 CA ASN A 43 9.686 -4.752 -1.707 1.00 2.50 C ATOM 632 C ASN A 43 11.012 -5.392 -2.108 1.00 45.51 C ATOM 633 O ASN A 43 11.289 -5.582 -3.293 1.00 51.44 O ATOM 634 CB ASN A 43 9.940 -3.387 -1.062 1.00 54.11 C ATOM 635 CG ASN A 43 8.719 -2.490 -1.108 1.00 10.42 C ATOM 636 OD1 ASN A 43 7.816 -2.692 -1.921 1.00 70.05 O ATOM 637 ND2 ASN A 43 8.685 -1.490 -0.234 1.00 32.54 N ATOM 0 H ASN A 43 8.819 -5.226 0.142 1.00 61.10 H new ATOM 0 HA ASN A 43 9.083 -4.616 -2.605 1.00 2.50 H new ATOM 0 HB2 ASN A 43 10.244 -3.529 -0.025 1.00 54.11 H new ATOM 0 HB3 ASN A 43 10.768 -2.895 -1.573 1.00 54.11 H new ATOM 0 HD21 ASN A 43 7.889 -0.853 -0.219 1.00 32.54 H new ATOM 0 HD22 ASN A 43 9.455 -1.360 0.422 1.00 32.54 H new ATOM 644 N VAL A 44 11.829 -5.722 -1.112 1.00 44.23 N ATOM 645 CA VAL A 44 13.124 -6.342 -1.359 1.00 13.03 C ATOM 646 C VAL A 44 12.967 -7.668 -2.095 1.00 13.33 C ATOM 647 O VAL A 44 13.765 -8.002 -2.971 1.00 30.42 O ATOM 648 CB VAL A 44 13.890 -6.585 -0.046 1.00 52.42 C ATOM 649 CG1 VAL A 44 13.054 -7.416 0.915 1.00 33.25 C ATOM 650 CG2 VAL A 44 15.226 -7.259 -0.325 1.00 42.12 C ATOM 0 H VAL A 44 11.616 -5.570 -0.126 1.00 44.23 H new ATOM 0 HA VAL A 44 13.693 -5.650 -1.980 1.00 13.03 H new ATOM 0 HB VAL A 44 14.087 -5.621 0.423 1.00 52.42 H new ATOM 0 HG11 VAL A 44 13.612 -7.577 1.837 1.00 33.25 H new ATOM 0 HG12 VAL A 44 12.127 -6.889 1.140 1.00 33.25 H new ATOM 0 HG13 VAL A 44 12.823 -8.378 0.458 1.00 33.25 H new ATOM 0 HG21 VAL A 44 15.754 -7.423 0.614 1.00 42.12 H new ATOM 0 HG22 VAL A 44 15.055 -8.216 -0.817 1.00 42.12 H new ATOM 0 HG23 VAL A 44 15.827 -6.621 -0.972 1.00 42.12 H new ATOM 660 N SER A 45 11.933 -8.421 -1.735 1.00 43.53 N ATOM 661 CA SER A 45 11.672 -9.713 -2.358 1.00 4.40 C ATOM 662 C SER A 45 11.273 -9.539 -3.820 1.00 22.44 C ATOM 663 O SER A 45 11.443 -10.446 -4.635 1.00 31.22 O ATOM 664 CB SER A 45 10.569 -10.455 -1.601 1.00 3.41 C ATOM 665 OG SER A 45 10.578 -11.837 -1.913 1.00 63.43 O ATOM 0 H SER A 45 11.261 -8.158 -1.014 1.00 43.53 H new ATOM 0 HA SER A 45 12.589 -10.301 -2.317 1.00 4.40 H new ATOM 0 HB2 SER A 45 10.706 -10.320 -0.528 1.00 3.41 H new ATOM 0 HB3 SER A 45 9.599 -10.028 -1.855 1.00 3.41 H new ATOM 0 HG SER A 45 10.568 -12.360 -1.084 1.00 63.43 H new ATOM 671 N THR A 46 10.739 -8.366 -4.147 1.00 53.22 N ATOM 672 CA THR A 46 10.314 -8.072 -5.509 1.00 41.43 C ATOM 673 C THR A 46 11.347 -7.218 -6.236 1.00 42.14 C ATOM 674 O THR A 46 11.160 -6.853 -7.395 1.00 22.40 O ATOM 675 CB THR A 46 8.957 -7.343 -5.529 1.00 62.34 C ATOM 676 OG1 THR A 46 9.012 -6.181 -4.696 1.00 42.21 O ATOM 677 CG2 THR A 46 7.842 -8.263 -5.051 1.00 33.55 C ATOM 0 H THR A 46 10.591 -7.604 -3.486 1.00 53.22 H new ATOM 0 HA THR A 46 10.212 -9.029 -6.021 1.00 41.43 H new ATOM 0 HB THR A 46 8.746 -7.043 -6.556 1.00 62.34 H new ATOM 0 HG1 THR A 46 8.644 -6.394 -3.813 1.00 42.21 H new ATOM 0 HG21 THR A 46 6.893 -7.727 -5.074 1.00 33.55 H new ATOM 0 HG22 THR A 46 7.783 -9.133 -5.705 1.00 33.55 H new ATOM 0 HG23 THR A 46 8.051 -8.589 -4.032 1.00 33.55 H new ATOM 685 N GLY A 47 12.438 -6.901 -5.545 1.00 73.12 N ATOM 686 CA GLY A 47 13.484 -6.092 -6.141 1.00 53.22 C ATOM 687 C GLY A 47 12.953 -4.806 -6.740 1.00 44.12 C ATOM 688 O GLY A 47 13.421 -4.362 -7.788 1.00 0.04 O ATOM 0 H GLY A 47 12.616 -7.190 -4.583 1.00 73.12 H new ATOM 0 HA2 GLY A 47 14.231 -5.855 -5.384 1.00 53.22 H new ATOM 0 HA3 GLY A 47 13.988 -6.669 -6.916 1.00 53.22 H new ATOM 692 N ARG A 48 11.971 -4.206 -6.074 1.00 61.01 N ATOM 693 CA ARG A 48 11.373 -2.964 -6.549 1.00 20.42 C ATOM 694 C ARG A 48 11.969 -1.762 -5.824 1.00 5.32 C ATOM 695 O ARG A 48 11.243 -0.877 -5.370 1.00 53.44 O ATOM 696 CB ARG A 48 9.856 -2.994 -6.349 1.00 75.23 C ATOM 697 CG ARG A 48 9.102 -2.038 -7.258 1.00 13.45 C ATOM 698 CD ARG A 48 7.667 -2.488 -7.473 1.00 41.24 C ATOM 699 NE ARG A 48 7.130 -2.017 -8.747 1.00 61.21 N ATOM 700 CZ ARG A 48 7.448 -2.552 -9.921 1.00 14.22 C ATOM 701 NH1 ARG A 48 8.295 -3.570 -9.981 1.00 0.24 N ATOM 702 NH2 ARG A 48 6.918 -2.068 -11.037 1.00 75.20 N ATOM 0 H ARG A 48 11.573 -4.560 -5.204 1.00 61.01 H new ATOM 0 HA ARG A 48 11.590 -2.869 -7.613 1.00 20.42 H new ATOM 0 HB2 ARG A 48 9.495 -4.008 -6.523 1.00 75.23 H new ATOM 0 HB3 ARG A 48 9.630 -2.749 -5.311 1.00 75.23 H new ATOM 0 HG2 ARG A 48 9.110 -1.039 -6.823 1.00 13.45 H new ATOM 0 HG3 ARG A 48 9.611 -1.971 -8.219 1.00 13.45 H new ATOM 0 HD2 ARG A 48 7.620 -3.576 -7.440 1.00 41.24 H new ATOM 0 HD3 ARG A 48 7.045 -2.117 -6.658 1.00 41.24 H new ATOM 0 HE ARG A 48 6.475 -1.235 -8.735 1.00 61.21 H new ATOM 0 HH11 ARG A 48 8.704 -3.944 -9.125 1.00 0.24 H new ATOM 0 HH12 ARG A 48 8.538 -3.979 -10.883 1.00 0.24 H new ATOM 0 HH21 ARG A 48 6.266 -1.285 -10.994 1.00 75.20 H new ATOM 0 HH22 ARG A 48 7.163 -2.479 -11.938 1.00 75.20 H new ATOM 716 N GLU A 49 13.294 -1.736 -5.719 1.00 73.30 N ATOM 717 CA GLU A 49 13.986 -0.644 -5.047 1.00 3.44 C ATOM 718 C GLU A 49 13.597 -0.578 -3.573 1.00 51.50 C ATOM 719 O GLU A 49 12.569 -1.109 -3.151 1.00 12.03 O ATOM 720 CB GLU A 49 13.666 0.688 -5.730 1.00 33.13 C ATOM 721 CG GLU A 49 14.789 1.204 -6.613 1.00 34.23 C ATOM 722 CD GLU A 49 14.936 0.408 -7.896 1.00 60.14 C ATOM 723 OE1 GLU A 49 16.073 0.005 -8.217 1.00 12.02 O ATOM 724 OE2 GLU A 49 13.913 0.188 -8.578 1.00 11.12 O ATOM 0 H GLU A 49 13.909 -2.459 -6.091 1.00 73.30 H new ATOM 0 HA GLU A 49 15.058 -0.831 -5.114 1.00 3.44 H new ATOM 0 HB2 GLU A 49 12.766 0.570 -6.333 1.00 33.13 H new ATOM 0 HB3 GLU A 49 13.443 1.434 -4.967 1.00 33.13 H new ATOM 0 HG2 GLU A 49 14.602 2.250 -6.858 1.00 34.23 H new ATOM 0 HG3 GLU A 49 15.727 1.169 -6.059 1.00 34.23 H new ATOM 731 N PRO A 50 14.438 0.090 -2.769 1.00 41.41 N ATOM 732 CA PRO A 50 14.205 0.242 -1.330 1.00 44.53 C ATOM 733 C PRO A 50 13.029 1.164 -1.027 1.00 21.40 C ATOM 734 O PRO A 50 12.152 0.829 -0.232 1.00 13.02 O ATOM 735 CB PRO A 50 15.511 0.857 -0.821 1.00 3.31 C ATOM 736 CG PRO A 50 16.083 1.561 -2.003 1.00 34.14 C ATOM 737 CD PRO A 50 15.682 0.748 -3.203 1.00 21.23 C ATOM 0 HA PRO A 50 13.952 -0.707 -0.857 1.00 44.53 H new ATOM 0 HB2 PRO A 50 15.329 1.548 0.002 1.00 3.31 H new ATOM 0 HB3 PRO A 50 16.191 0.091 -0.449 1.00 3.31 H new ATOM 0 HG2 PRO A 50 15.699 2.579 -2.075 1.00 34.14 H new ATOM 0 HG3 PRO A 50 17.168 1.635 -1.926 1.00 34.14 H new ATOM 0 HD2 PRO A 50 15.520 1.377 -4.078 1.00 21.23 H new ATOM 0 HD3 PRO A 50 16.449 0.021 -3.470 1.00 21.23 H new ATOM 745 N GLY A 51 13.015 2.329 -1.669 1.00 50.53 N ATOM 746 CA GLY A 51 11.941 3.282 -1.455 1.00 35.45 C ATOM 747 C GLY A 51 10.707 2.956 -2.273 1.00 3.43 C ATOM 748 O GLY A 51 10.451 3.587 -3.300 1.00 74.11 O ATOM 0 H GLY A 51 13.728 2.630 -2.333 1.00 50.53 H new ATOM 0 HA2 GLY A 51 11.679 3.298 -0.397 1.00 35.45 H new ATOM 0 HA3 GLY A 51 12.290 4.282 -1.712 1.00 35.45 H new ATOM 752 N ASP A 52 9.942 1.971 -1.820 1.00 23.20 N ATOM 753 CA ASP A 52 8.727 1.563 -2.518 1.00 51.53 C ATOM 754 C ASP A 52 7.490 1.865 -1.677 1.00 21.32 C ATOM 755 O ASP A 52 7.093 1.063 -0.831 1.00 4.12 O ATOM 756 CB ASP A 52 8.781 0.072 -2.851 1.00 54.03 C ATOM 757 CG ASP A 52 8.633 -0.196 -4.336 1.00 11.31 C ATOM 758 OD1 ASP A 52 8.017 -1.222 -4.696 1.00 13.44 O ATOM 759 OD2 ASP A 52 9.132 0.621 -5.138 1.00 72.24 O ATOM 0 H ASP A 52 10.140 1.439 -0.973 1.00 23.20 H new ATOM 0 HA ASP A 52 8.662 2.132 -3.445 1.00 51.53 H new ATOM 0 HB2 ASP A 52 9.728 -0.341 -2.503 1.00 54.03 H new ATOM 0 HB3 ASP A 52 7.989 -0.447 -2.311 1.00 54.03 H new ATOM 764 N ILE A 53 6.887 3.024 -1.916 1.00 4.11 N ATOM 765 CA ILE A 53 5.695 3.431 -1.181 1.00 13.13 C ATOM 766 C ILE A 53 4.544 3.741 -2.131 1.00 24.31 C ATOM 767 O ILE A 53 4.206 4.899 -2.379 1.00 72.30 O ATOM 768 CB ILE A 53 5.970 4.665 -0.303 1.00 4.25 C ATOM 769 CG1 ILE A 53 6.752 5.717 -1.094 1.00 31.54 C ATOM 770 CG2 ILE A 53 6.731 4.265 0.952 1.00 21.23 C ATOM 771 CD1 ILE A 53 7.053 6.969 -0.301 1.00 5.12 C ATOM 0 H ILE A 53 7.204 3.698 -2.613 1.00 4.11 H new ATOM 0 HA ILE A 53 5.417 2.595 -0.539 1.00 13.13 H new ATOM 0 HB ILE A 53 5.016 5.098 -0.003 1.00 4.25 H new ATOM 0 HG12 ILE A 53 7.690 5.279 -1.436 1.00 31.54 H new ATOM 0 HG13 ILE A 53 6.183 5.988 -1.983 1.00 31.54 H new ATOM 0 HG21 ILE A 53 6.917 5.149 1.562 1.00 21.23 H new ATOM 0 HG22 ILE A 53 6.140 3.548 1.523 1.00 21.23 H new ATOM 0 HG23 ILE A 53 7.681 3.810 0.672 1.00 21.23 H new ATOM 0 HD11 ILE A 53 7.609 7.670 -0.924 1.00 5.12 H new ATOM 0 HD12 ILE A 53 6.119 7.430 0.019 1.00 5.12 H new ATOM 0 HD13 ILE A 53 7.649 6.711 0.575 1.00 5.12 H new ATOM 783 N PRO A 54 3.923 2.684 -2.674 1.00 35.02 N ATOM 784 CA PRO A 54 2.797 2.818 -3.604 1.00 55.25 C ATOM 785 C PRO A 54 1.535 3.328 -2.915 1.00 74.40 C ATOM 786 O PRO A 54 1.175 2.861 -1.836 1.00 32.51 O ATOM 787 CB PRO A 54 2.587 1.390 -4.114 1.00 2.04 C ATOM 788 CG PRO A 54 3.127 0.518 -3.034 1.00 3.12 C ATOM 789 CD PRO A 54 4.273 1.275 -2.424 1.00 50.35 C ATOM 0 HA PRO A 54 3.003 3.541 -4.393 1.00 55.25 H new ATOM 0 HB2 PRO A 54 1.532 1.186 -4.297 1.00 2.04 H new ATOM 0 HB3 PRO A 54 3.111 1.225 -5.055 1.00 2.04 H new ATOM 0 HG2 PRO A 54 2.362 0.301 -2.289 1.00 3.12 H new ATOM 0 HG3 PRO A 54 3.461 -0.439 -3.435 1.00 3.12 H new ATOM 0 HD2 PRO A 54 4.369 1.068 -1.358 1.00 50.35 H new ATOM 0 HD3 PRO A 54 5.223 1.009 -2.888 1.00 50.35 H new ATOM 797 N GLU A 55 0.869 4.289 -3.549 1.00 73.35 N ATOM 798 CA GLU A 55 -0.352 4.862 -2.996 1.00 72.23 C ATOM 799 C GLU A 55 -1.497 4.775 -4.000 1.00 10.14 C ATOM 800 O GLU A 55 -2.349 5.663 -4.067 1.00 34.51 O ATOM 801 CB GLU A 55 -0.122 6.319 -2.593 1.00 13.23 C ATOM 802 CG GLU A 55 -0.637 6.657 -1.204 1.00 61.31 C ATOM 803 CD GLU A 55 -2.041 7.230 -1.226 1.00 75.22 C ATOM 804 OE1 GLU A 55 -3.006 6.437 -1.192 1.00 15.42 O ATOM 805 OE2 GLU A 55 -2.174 8.470 -1.277 1.00 64.23 O ATOM 0 H GLU A 55 1.154 4.686 -4.444 1.00 73.35 H new ATOM 0 HA GLU A 55 -0.623 4.287 -2.111 1.00 72.23 H new ATOM 0 HB2 GLU A 55 0.945 6.535 -2.638 1.00 13.23 H new ATOM 0 HB3 GLU A 55 -0.609 6.969 -3.320 1.00 13.23 H new ATOM 0 HG2 GLU A 55 -0.625 5.758 -0.587 1.00 61.31 H new ATOM 0 HG3 GLU A 55 0.037 7.374 -0.735 1.00 61.31 H new ATOM 812 N THR A 56 -1.511 3.701 -4.783 1.00 21.23 N ATOM 813 CA THR A 56 -2.549 3.498 -5.787 1.00 52.24 C ATOM 814 C THR A 56 -2.991 2.040 -5.833 1.00 62.14 C ATOM 815 O THR A 56 -2.225 1.137 -5.493 1.00 2.12 O ATOM 816 CB THR A 56 -2.066 3.922 -7.187 1.00 64.23 C ATOM 817 OG1 THR A 56 -1.162 2.942 -7.710 1.00 1.44 O ATOM 818 CG2 THR A 56 -1.379 5.278 -7.135 1.00 50.24 C ATOM 0 H THR A 56 -0.814 2.957 -4.741 1.00 21.23 H new ATOM 0 HA THR A 56 -3.395 4.122 -5.499 1.00 52.24 H new ATOM 0 HB THR A 56 -2.935 3.999 -7.840 1.00 64.23 H new ATOM 0 HG1 THR A 56 -0.860 3.218 -8.601 1.00 1.44 H new ATOM 0 HG21 THR A 56 -1.047 5.556 -8.135 1.00 50.24 H new ATOM 0 HG22 THR A 56 -2.079 6.027 -6.764 1.00 50.24 H new ATOM 0 HG23 THR A 56 -0.518 5.224 -6.468 1.00 50.24 H new ATOM 826 N LEU A 57 -4.230 1.816 -6.256 1.00 11.44 N ATOM 827 CA LEU A 57 -4.775 0.466 -6.348 1.00 55.10 C ATOM 828 C LEU A 57 -4.045 -0.344 -7.416 1.00 44.24 C ATOM 829 O LEU A 57 -3.956 -1.568 -7.326 1.00 30.02 O ATOM 830 CB LEU A 57 -6.270 0.518 -6.665 1.00 3.30 C ATOM 831 CG LEU A 57 -7.078 -0.726 -6.298 1.00 43.24 C ATOM 832 CD1 LEU A 57 -7.117 -0.912 -4.788 1.00 54.42 C ATOM 833 CD2 LEU A 57 -8.490 -0.632 -6.861 1.00 52.54 C ATOM 0 H LEU A 57 -4.876 2.552 -6.541 1.00 11.44 H new ATOM 0 HA LEU A 57 -4.631 -0.023 -5.385 1.00 55.10 H new ATOM 0 HB2 LEU A 57 -6.702 1.373 -6.145 1.00 3.30 H new ATOM 0 HB3 LEU A 57 -6.388 0.701 -7.733 1.00 3.30 H new ATOM 0 HG LEU A 57 -6.589 -1.595 -6.739 1.00 43.24 H new ATOM 0 HD11 LEU A 57 -7.697 -1.803 -4.546 1.00 54.42 H new ATOM 0 HD12 LEU A 57 -6.101 -1.026 -4.409 1.00 54.42 H new ATOM 0 HD13 LEU A 57 -7.581 -0.041 -4.326 1.00 54.42 H new ATOM 0 HD21 LEU A 57 -9.050 -1.527 -6.590 1.00 52.54 H new ATOM 0 HD22 LEU A 57 -8.988 0.246 -6.450 1.00 52.54 H new ATOM 0 HD23 LEU A 57 -8.444 -0.548 -7.947 1.00 52.54 H new ATOM 845 N ASP A 58 -3.525 0.349 -8.423 1.00 73.44 N ATOM 846 CA ASP A 58 -2.800 -0.306 -9.506 1.00 4.42 C ATOM 847 C ASP A 58 -1.481 -0.884 -9.005 1.00 55.10 C ATOM 848 O ASP A 58 -1.096 -1.991 -9.380 1.00 70.32 O ATOM 849 CB ASP A 58 -2.539 0.683 -10.643 1.00 20.32 C ATOM 850 CG ASP A 58 -3.552 0.557 -11.764 1.00 71.34 C ATOM 851 OD1 ASP A 58 -4.689 0.118 -11.490 1.00 1.51 O ATOM 852 OD2 ASP A 58 -3.208 0.898 -12.915 1.00 30.12 O ATOM 0 H ASP A 58 -3.592 1.363 -8.512 1.00 73.44 H new ATOM 0 HA ASP A 58 -3.415 -1.124 -9.880 1.00 4.42 H new ATOM 0 HB2 ASP A 58 -2.562 1.699 -10.249 1.00 20.32 H new ATOM 0 HB3 ASP A 58 -1.538 0.518 -11.042 1.00 20.32 H new ATOM 857 N GLN A 59 -0.791 -0.127 -8.157 1.00 5.03 N ATOM 858 CA GLN A 59 0.486 -0.564 -7.608 1.00 71.53 C ATOM 859 C GLN A 59 0.297 -1.753 -6.670 1.00 2.23 C ATOM 860 O GLN A 59 0.963 -2.779 -6.810 1.00 71.23 O ATOM 861 CB GLN A 59 1.165 0.587 -6.862 1.00 60.54 C ATOM 862 CG GLN A 59 1.590 1.731 -7.767 1.00 52.24 C ATOM 863 CD GLN A 59 1.631 3.062 -7.043 1.00 1.33 C ATOM 864 OE1 GLN A 59 0.859 3.302 -6.114 1.00 32.41 O ATOM 865 NE2 GLN A 59 2.535 3.939 -7.466 1.00 73.32 N ATOM 0 H GLN A 59 -1.096 0.792 -7.836 1.00 5.03 H new ATOM 0 HA GLN A 59 1.122 -0.876 -8.437 1.00 71.53 H new ATOM 0 HB2 GLN A 59 0.483 0.969 -6.103 1.00 60.54 H new ATOM 0 HB3 GLN A 59 2.041 0.203 -6.339 1.00 60.54 H new ATOM 0 HG2 GLN A 59 2.575 1.516 -8.180 1.00 52.24 H new ATOM 0 HG3 GLN A 59 0.900 1.800 -8.608 1.00 52.24 H new ATOM 0 HE21 GLN A 59 3.155 3.699 -8.239 1.00 73.32 H new ATOM 0 HE22 GLN A 59 2.609 4.852 -7.017 1.00 73.32 H new ATOM 874 N LEU A 60 -0.615 -1.606 -5.714 1.00 35.12 N ATOM 875 CA LEU A 60 -0.892 -2.667 -4.752 1.00 35.35 C ATOM 876 C LEU A 60 -1.270 -3.962 -5.464 1.00 31.54 C ATOM 877 O LEU A 60 -0.793 -5.040 -5.109 1.00 11.23 O ATOM 878 CB LEU A 60 -2.017 -2.244 -3.807 1.00 33.22 C ATOM 879 CG LEU A 60 -1.589 -1.476 -2.556 1.00 71.14 C ATOM 880 CD1 LEU A 60 -0.795 -2.377 -1.622 1.00 62.11 C ATOM 881 CD2 LEU A 60 -0.774 -0.249 -2.937 1.00 43.43 C ATOM 0 H LEU A 60 -1.174 -0.763 -5.585 1.00 35.12 H new ATOM 0 HA LEU A 60 0.014 -2.844 -4.172 1.00 35.35 H new ATOM 0 HB2 LEU A 60 -2.720 -1.626 -4.365 1.00 33.22 H new ATOM 0 HB3 LEU A 60 -2.557 -3.138 -3.494 1.00 33.22 H new ATOM 0 HG LEU A 60 -2.485 -1.144 -2.032 1.00 71.14 H new ATOM 0 HD11 LEU A 60 -0.499 -1.813 -0.737 1.00 62.11 H new ATOM 0 HD12 LEU A 60 -1.412 -3.225 -1.323 1.00 62.11 H new ATOM 0 HD13 LEU A 60 0.095 -2.740 -2.136 1.00 62.11 H new ATOM 0 HD21 LEU A 60 -0.478 0.286 -2.035 1.00 43.43 H new ATOM 0 HD22 LEU A 60 0.116 -0.559 -3.484 1.00 43.43 H new ATOM 0 HD23 LEU A 60 -1.376 0.407 -3.566 1.00 43.43 H new ATOM 893 N ARG A 61 -2.128 -3.848 -6.473 1.00 21.33 N ATOM 894 CA ARG A 61 -2.570 -5.009 -7.235 1.00 35.45 C ATOM 895 C ARG A 61 -1.397 -5.660 -7.963 1.00 31.23 C ATOM 896 O ARG A 61 -1.319 -6.885 -8.069 1.00 23.43 O ATOM 897 CB ARG A 61 -3.648 -4.605 -8.244 1.00 55.53 C ATOM 898 CG ARG A 61 -4.033 -5.719 -9.203 1.00 25.11 C ATOM 899 CD ARG A 61 -3.526 -5.443 -10.609 1.00 35.43 C ATOM 900 NE ARG A 61 -3.162 -6.672 -11.312 1.00 44.25 N ATOM 901 CZ ARG A 61 -2.759 -6.703 -12.576 1.00 33.40 C ATOM 902 NH1 ARG A 61 -2.669 -5.580 -13.275 1.00 34.44 N ATOM 903 NH2 ARG A 61 -2.446 -7.861 -13.145 1.00 12.15 N ATOM 0 H ARG A 61 -2.531 -2.963 -6.781 1.00 21.33 H new ATOM 0 HA ARG A 61 -2.989 -5.732 -6.536 1.00 35.45 H new ATOM 0 HB2 ARG A 61 -4.537 -4.280 -7.703 1.00 55.53 H new ATOM 0 HB3 ARG A 61 -3.294 -3.749 -8.818 1.00 55.53 H new ATOM 0 HG2 ARG A 61 -3.624 -6.665 -8.847 1.00 25.11 H new ATOM 0 HG3 ARG A 61 -5.118 -5.827 -9.221 1.00 25.11 H new ATOM 0 HD2 ARG A 61 -4.295 -4.916 -11.174 1.00 35.43 H new ATOM 0 HD3 ARG A 61 -2.659 -4.784 -10.559 1.00 35.43 H new ATOM 0 HE ARG A 61 -3.221 -7.554 -10.803 1.00 44.25 H new ATOM 0 HH11 ARG A 61 -2.910 -4.689 -12.841 1.00 34.44 H new ATOM 0 HH12 ARG A 61 -2.359 -5.607 -14.246 1.00 34.44 H new ATOM 0 HH21 ARG A 61 -2.515 -8.727 -12.611 1.00 12.15 H new ATOM 0 HH22 ARG A 61 -2.136 -7.885 -14.117 1.00 12.15 H new ATOM 917 N LEU A 62 -0.485 -4.833 -8.463 1.00 31.25 N ATOM 918 CA LEU A 62 0.685 -5.327 -9.182 1.00 41.05 C ATOM 919 C LEU A 62 1.654 -6.022 -8.231 1.00 70.40 C ATOM 920 O LEU A 62 2.133 -7.121 -8.511 1.00 72.35 O ATOM 921 CB LEU A 62 1.393 -4.175 -9.897 1.00 65.42 C ATOM 922 CG LEU A 62 0.736 -3.682 -11.187 1.00 35.04 C ATOM 923 CD1 LEU A 62 1.296 -2.326 -11.586 1.00 52.21 C ATOM 924 CD2 LEU A 62 0.935 -4.694 -12.307 1.00 0.43 C ATOM 0 H LEU A 62 -0.533 -3.817 -8.384 1.00 31.25 H new ATOM 0 HA LEU A 62 0.347 -6.052 -9.922 1.00 41.05 H new ATOM 0 HB2 LEU A 62 1.466 -3.335 -9.206 1.00 65.42 H new ATOM 0 HB3 LEU A 62 2.411 -4.488 -10.128 1.00 65.42 H new ATOM 0 HG LEU A 62 -0.334 -3.572 -11.009 1.00 35.04 H new ATOM 0 HD11 LEU A 62 0.817 -1.991 -12.506 1.00 52.21 H new ATOM 0 HD12 LEU A 62 1.102 -1.604 -10.792 1.00 52.21 H new ATOM 0 HD13 LEU A 62 2.371 -2.409 -11.746 1.00 52.21 H new ATOM 0 HD21 LEU A 62 0.461 -4.327 -13.217 1.00 0.43 H new ATOM 0 HD22 LEU A 62 2.001 -4.835 -12.484 1.00 0.43 H new ATOM 0 HD23 LEU A 62 0.485 -5.645 -12.022 1.00 0.43 H new ATOM 936 N VAL A 63 1.936 -5.376 -7.105 1.00 61.14 N ATOM 937 CA VAL A 63 2.845 -5.934 -6.110 1.00 25.33 C ATOM 938 C VAL A 63 2.409 -7.334 -5.692 1.00 53.20 C ATOM 939 O VAL A 63 3.236 -8.237 -5.557 1.00 41.04 O ATOM 940 CB VAL A 63 2.926 -5.038 -4.860 1.00 53.14 C ATOM 941 CG1 VAL A 63 3.900 -5.621 -3.847 1.00 32.11 C ATOM 942 CG2 VAL A 63 3.328 -3.622 -5.244 1.00 71.41 C ATOM 0 H VAL A 63 1.548 -4.465 -6.858 1.00 61.14 H new ATOM 0 HA VAL A 63 3.830 -5.987 -6.574 1.00 25.33 H new ATOM 0 HB VAL A 63 1.939 -4.998 -4.399 1.00 53.14 H new ATOM 0 HG11 VAL A 63 3.944 -4.974 -2.971 1.00 32.11 H new ATOM 0 HG12 VAL A 63 3.564 -6.614 -3.549 1.00 32.11 H new ATOM 0 HG13 VAL A 63 4.891 -5.693 -4.295 1.00 32.11 H new ATOM 0 HG21 VAL A 63 3.380 -3.003 -4.348 1.00 71.41 H new ATOM 0 HG22 VAL A 63 4.303 -3.640 -5.730 1.00 71.41 H new ATOM 0 HG23 VAL A 63 2.589 -3.207 -5.929 1.00 71.41 H new ATOM 952 N ILE A 64 1.108 -7.507 -5.488 1.00 31.34 N ATOM 953 CA ILE A 64 0.564 -8.798 -5.087 1.00 24.32 C ATOM 954 C ILE A 64 0.804 -9.853 -6.161 1.00 64.44 C ATOM 955 O ILE A 64 1.378 -10.909 -5.891 1.00 0.12 O ATOM 956 CB ILE A 64 -0.947 -8.708 -4.801 1.00 1.52 C ATOM 957 CG1 ILE A 64 -1.217 -7.696 -3.683 1.00 33.42 C ATOM 958 CG2 ILE A 64 -1.499 -10.075 -4.429 1.00 52.00 C ATOM 959 CD1 ILE A 64 -2.610 -7.109 -3.724 1.00 1.44 C ATOM 0 H ILE A 64 0.411 -6.770 -5.594 1.00 31.34 H new ATOM 0 HA ILE A 64 1.082 -9.088 -4.173 1.00 24.32 H new ATOM 0 HB ILE A 64 -1.453 -8.368 -5.705 1.00 1.52 H new ATOM 0 HG12 ILE A 64 -1.064 -8.182 -2.719 1.00 33.42 H new ATOM 0 HG13 ILE A 64 -0.489 -6.888 -3.752 1.00 33.42 H new ATOM 0 HG21 ILE A 64 -2.568 -9.994 -4.230 1.00 52.00 H new ATOM 0 HG22 ILE A 64 -1.335 -10.770 -5.252 1.00 52.00 H new ATOM 0 HG23 ILE A 64 -0.991 -10.442 -3.537 1.00 52.00 H new ATOM 0 HD11 ILE A 64 -2.731 -6.401 -2.904 1.00 1.44 H new ATOM 0 HD12 ILE A 64 -2.760 -6.594 -4.673 1.00 1.44 H new ATOM 0 HD13 ILE A 64 -3.345 -7.908 -3.625 1.00 1.44 H new ATOM 971 N CYS A 65 0.362 -9.561 -7.379 1.00 61.53 N ATOM 972 CA CYS A 65 0.528 -10.485 -8.495 1.00 12.23 C ATOM 973 C CYS A 65 1.996 -10.865 -8.672 1.00 44.45 C ATOM 974 O CYS A 65 2.312 -11.939 -9.185 1.00 45.13 O ATOM 975 CB CYS A 65 -0.008 -9.863 -9.785 1.00 44.34 C ATOM 976 SG CYS A 65 0.050 -10.964 -11.217 1.00 34.04 S ATOM 0 H CYS A 65 -0.114 -8.691 -7.619 1.00 61.53 H new ATOM 0 HA CYS A 65 -0.040 -11.389 -8.273 1.00 12.23 H new ATOM 0 HB2 CYS A 65 -1.039 -9.550 -9.623 1.00 44.34 H new ATOM 0 HB3 CYS A 65 0.567 -8.964 -10.008 1.00 44.34 H new ATOM 0 HG CYS A 65 1.000 -11.837 -11.055 1.00 34.04 H new ATOM 982 N ASP A 66 2.886 -9.977 -8.245 1.00 15.11 N ATOM 983 CA ASP A 66 4.320 -10.218 -8.357 1.00 41.15 C ATOM 984 C ASP A 66 4.788 -11.210 -7.296 1.00 3.31 C ATOM 985 O ASP A 66 5.205 -12.325 -7.613 1.00 22.10 O ATOM 986 CB ASP A 66 5.092 -8.905 -8.220 1.00 13.21 C ATOM 987 CG ASP A 66 4.710 -7.896 -9.284 1.00 24.14 C ATOM 988 OD1 ASP A 66 4.959 -6.689 -9.076 1.00 32.01 O ATOM 989 OD2 ASP A 66 4.162 -8.312 -10.327 1.00 41.35 O ATOM 0 H ASP A 66 2.640 -9.084 -7.818 1.00 15.11 H new ATOM 0 HA ASP A 66 4.516 -10.645 -9.341 1.00 41.15 H new ATOM 0 HB2 ASP A 66 4.905 -8.478 -7.235 1.00 13.21 H new ATOM 0 HB3 ASP A 66 6.161 -9.107 -8.282 1.00 13.21 H new ATOM 994 N LEU A 67 4.718 -10.796 -6.035 1.00 74.22 N ATOM 995 CA LEU A 67 5.135 -11.649 -4.926 1.00 20.15 C ATOM 996 C LEU A 67 4.374 -12.970 -4.939 1.00 51.32 C ATOM 997 O LEU A 67 4.865 -13.984 -4.443 1.00 1.12 O ATOM 998 CB LEU A 67 4.913 -10.931 -3.594 1.00 4.21 C ATOM 999 CG LEU A 67 5.909 -11.256 -2.481 1.00 71.43 C ATOM 1000 CD1 LEU A 67 7.322 -10.884 -2.903 1.00 20.31 C ATOM 1001 CD2 LEU A 67 5.527 -10.537 -1.196 1.00 62.15 C ATOM 0 H LEU A 67 4.377 -9.876 -5.755 1.00 74.22 H new ATOM 0 HA LEU A 67 6.197 -11.863 -5.043 1.00 20.15 H new ATOM 0 HB2 LEU A 67 4.939 -9.856 -3.775 1.00 4.21 H new ATOM 0 HB3 LEU A 67 3.911 -11.170 -3.238 1.00 4.21 H new ATOM 0 HG LEU A 67 5.879 -12.330 -2.295 1.00 71.43 H new ATOM 0 HD11 LEU A 67 8.017 -11.123 -2.098 1.00 20.31 H new ATOM 0 HD12 LEU A 67 7.595 -11.446 -3.796 1.00 20.31 H new ATOM 0 HD13 LEU A 67 7.368 -9.816 -3.118 1.00 20.31 H new ATOM 0 HD21 LEU A 67 6.247 -10.780 -0.415 1.00 62.15 H new ATOM 0 HD22 LEU A 67 5.527 -9.461 -1.367 1.00 62.15 H new ATOM 0 HD23 LEU A 67 4.532 -10.854 -0.884 1.00 62.15 H new ATOM 1013 N GLN A 68 3.175 -12.951 -5.510 1.00 65.32 N ATOM 1014 CA GLN A 68 2.346 -14.149 -5.588 1.00 12.50 C ATOM 1015 C GLN A 68 2.826 -15.070 -6.705 1.00 63.45 C ATOM 1016 O GLN A 68 3.113 -16.244 -6.473 1.00 42.30 O ATOM 1017 CB GLN A 68 0.883 -13.768 -5.817 1.00 62.41 C ATOM 1018 CG GLN A 68 -0.081 -14.933 -5.656 1.00 33.43 C ATOM 1019 CD GLN A 68 -0.455 -15.569 -6.982 1.00 15.12 C ATOM 1020 OE1 GLN A 68 -0.955 -14.758 -7.906 1.00 25.43 O flip ATOM 1021 NE2 GLN A 68 -0.294 -16.775 -7.172 1.00 64.41 N flip ATOM 0 H GLN A 68 2.755 -12.120 -5.926 1.00 65.32 H new ATOM 0 HA GLN A 68 2.430 -14.682 -4.641 1.00 12.50 H new ATOM 0 HB2 GLN A 68 0.607 -12.980 -5.117 1.00 62.41 H new ATOM 0 HB3 GLN A 68 0.776 -13.355 -6.820 1.00 62.41 H new ATOM 0 HG2 GLN A 68 0.370 -15.686 -5.010 1.00 33.43 H new ATOM 0 HG3 GLN A 68 -0.985 -14.585 -5.156 1.00 33.43 H new ATOM 0 HE21 GLN A 68 0.094 -17.360 -6.432 1.00 64.41 H new ATOM 0 HE22 GLN A 68 -0.549 -17.188 -8.069 1.00 64.41 H new ATOM 1030 N GLU A 69 2.909 -14.529 -7.916 1.00 33.55 N ATOM 1031 CA GLU A 69 3.353 -15.305 -9.069 1.00 0.00 C ATOM 1032 C GLU A 69 4.753 -15.868 -8.839 1.00 13.11 C ATOM 1033 O GLU A 69 5.028 -17.025 -9.159 1.00 21.35 O ATOM 1034 CB GLU A 69 3.341 -14.438 -10.329 1.00 12.24 C ATOM 1035 CG GLU A 69 3.525 -15.229 -11.615 1.00 55.44 C ATOM 1036 CD GLU A 69 3.071 -14.463 -12.841 1.00 21.30 C ATOM 1037 OE1 GLU A 69 2.227 -13.554 -12.694 1.00 71.20 O ATOM 1038 OE2 GLU A 69 3.558 -14.772 -13.949 1.00 42.02 O ATOM 0 H GLU A 69 2.675 -13.558 -8.125 1.00 33.55 H new ATOM 0 HA GLU A 69 2.663 -16.138 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.397 -13.896 -10.378 1.00 12.24 H new ATOM 0 HB3 GLU A 69 4.133 -13.693 -10.254 1.00 12.24 H new ATOM 0 HG2 GLU A 69 4.576 -15.495 -11.726 1.00 55.44 H new ATOM 0 HG3 GLU A 69 2.966 -16.162 -11.546 1.00 55.44 H new ATOM 1045 N ARG A 70 5.633 -15.042 -8.284 1.00 51.33 N ATOM 1046 CA ARG A 70 7.004 -15.457 -8.012 1.00 31.05 C ATOM 1047 C ARG A 70 7.042 -16.543 -6.942 1.00 32.31 C ATOM 1048 O ARG A 70 7.542 -17.644 -7.178 1.00 5.52 O ATOM 1049 CB ARG A 70 7.843 -14.257 -7.567 1.00 73.21 C ATOM 1050 CG ARG A 70 8.410 -13.449 -8.722 1.00 0.34 C ATOM 1051 CD ARG A 70 9.931 -13.443 -8.705 1.00 12.35 C ATOM 1052 NE ARG A 70 10.490 -12.898 -9.939 1.00 3.32 N ATOM 1053 CZ ARG A 70 10.452 -13.531 -11.107 1.00 43.51 C ATOM 1054 NH1 ARG A 70 9.883 -14.724 -11.199 1.00 42.45 N ATOM 1055 NH2 ARG A 70 10.983 -12.969 -12.185 1.00 23.02 N ATOM 0 H ARG A 70 5.421 -14.081 -8.014 1.00 51.33 H new ATOM 0 HA ARG A 70 7.423 -15.864 -8.932 1.00 31.05 H new ATOM 0 HB2 ARG A 70 7.229 -13.605 -6.946 1.00 73.21 H new ATOM 0 HB3 ARG A 70 8.665 -14.610 -6.944 1.00 73.21 H new ATOM 0 HG2 ARG A 70 8.057 -13.865 -9.666 1.00 0.34 H new ATOM 0 HG3 ARG A 70 8.041 -12.425 -8.667 1.00 0.34 H new ATOM 0 HD2 ARG A 70 10.282 -12.854 -7.857 1.00 12.35 H new ATOM 0 HD3 ARG A 70 10.296 -14.460 -8.560 1.00 12.35 H new ATOM 0 HE ARG A 70 10.934 -11.981 -9.903 1.00 3.32 H new ATOM 0 HH11 ARG A 70 9.473 -15.159 -10.372 1.00 42.45 H new ATOM 0 HH12 ARG A 70 9.855 -15.208 -12.097 1.00 42.45 H new ATOM 0 HH21 ARG A 70 11.421 -12.050 -12.118 1.00 23.02 H new ATOM 0 HH22 ARG A 70 10.953 -13.456 -13.081 1.00 23.02 H new ATOM 1069 N ARG A 71 6.512 -16.227 -5.765 1.00 22.15 N ATOM 1070 CA ARG A 71 6.488 -17.175 -4.658 1.00 24.22 C ATOM 1071 C ARG A 71 5.725 -18.440 -5.043 1.00 14.55 C ATOM 1072 O ARG A 71 5.919 -19.498 -4.444 1.00 4.12 O ATOM 1073 CB ARG A 71 5.845 -16.536 -3.425 1.00 31.05 C ATOM 1074 CG ARG A 71 5.677 -17.496 -2.260 1.00 41.33 C ATOM 1075 CD ARG A 71 6.993 -18.165 -1.896 1.00 74.43 C ATOM 1076 NE ARG A 71 8.097 -17.211 -1.841 1.00 44.40 N ATOM 1077 CZ ARG A 71 9.375 -17.568 -1.782 1.00 5.11 C ATOM 1078 NH1 ARG A 71 9.708 -18.851 -1.773 1.00 15.40 N ATOM 1079 NH2 ARG A 71 10.323 -16.640 -1.735 1.00 65.42 N ATOM 0 H ARG A 71 6.093 -15.321 -5.554 1.00 22.15 H new ATOM 0 HA ARG A 71 7.517 -17.448 -4.423 1.00 24.22 H new ATOM 0 HB2 ARG A 71 6.455 -15.692 -3.104 1.00 31.05 H new ATOM 0 HB3 ARG A 71 4.869 -16.137 -3.700 1.00 31.05 H new ATOM 0 HG2 ARG A 71 5.290 -16.957 -1.395 1.00 41.33 H new ATOM 0 HG3 ARG A 71 4.940 -18.257 -2.517 1.00 41.33 H new ATOM 0 HD2 ARG A 71 6.893 -18.659 -0.930 1.00 74.43 H new ATOM 0 HD3 ARG A 71 7.220 -18.940 -2.628 1.00 74.43 H new ATOM 0 HE ARG A 71 7.875 -16.216 -1.848 1.00 44.40 H new ATOM 0 HH11 ARG A 71 8.982 -19.567 -1.811 1.00 15.40 H new ATOM 0 HH12 ARG A 71 10.690 -19.123 -1.728 1.00 15.40 H new ATOM 0 HH21 ARG A 71 10.070 -15.652 -1.744 1.00 65.42 H new ATOM 0 HH22 ARG A 71 11.304 -16.915 -1.690 1.00 65.42 H new ATOM 1093 N GLU A 72 4.860 -18.322 -6.046 1.00 54.34 N ATOM 1094 CA GLU A 72 4.070 -19.456 -6.509 1.00 61.02 C ATOM 1095 C GLU A 72 4.949 -20.475 -7.228 1.00 22.12 C ATOM 1096 O GLU A 72 5.048 -21.631 -6.814 1.00 4.50 O ATOM 1097 CB GLU A 72 2.953 -18.981 -7.441 1.00 32.00 C ATOM 1098 CG GLU A 72 2.200 -20.115 -8.115 1.00 62.50 C ATOM 1099 CD GLU A 72 0.727 -19.806 -8.305 1.00 12.24 C ATOM 1100 OE1 GLU A 72 -0.109 -20.657 -7.940 1.00 61.33 O ATOM 1101 OE2 GLU A 72 0.412 -18.713 -8.820 1.00 23.11 O ATOM 0 H GLU A 72 4.689 -17.453 -6.553 1.00 54.34 H new ATOM 0 HA GLU A 72 3.626 -19.937 -5.637 1.00 61.02 H new ATOM 0 HB2 GLU A 72 2.248 -18.376 -6.871 1.00 32.00 H new ATOM 0 HB3 GLU A 72 3.381 -18.334 -8.207 1.00 32.00 H new ATOM 0 HG2 GLU A 72 2.652 -20.320 -9.085 1.00 62.50 H new ATOM 0 HG3 GLU A 72 2.303 -21.021 -7.517 1.00 62.50 H new ATOM 1108 N LYS A 73 5.586 -20.039 -8.311 1.00 42.55 N ATOM 1109 CA LYS A 73 6.458 -20.910 -9.089 1.00 52.14 C ATOM 1110 C LYS A 73 7.607 -21.435 -8.233 1.00 72.21 C ATOM 1111 O LYS A 73 8.160 -22.501 -8.506 1.00 53.02 O ATOM 1112 CB LYS A 73 7.012 -20.160 -10.302 1.00 41.45 C ATOM 1113 CG LYS A 73 7.301 -21.058 -11.492 1.00 0.43 C ATOM 1114 CD LYS A 73 8.759 -21.488 -11.525 1.00 24.31 C ATOM 1115 CE LYS A 73 9.034 -22.430 -12.686 1.00 34.22 C ATOM 1116 NZ LYS A 73 9.588 -23.734 -12.223 1.00 0.44 N ATOM 0 H LYS A 73 5.514 -19.087 -8.669 1.00 42.55 H new ATOM 0 HA LYS A 73 5.868 -21.759 -9.434 1.00 52.14 H new ATOM 0 HB2 LYS A 73 6.298 -19.393 -10.601 1.00 41.45 H new ATOM 0 HB3 LYS A 73 7.929 -19.647 -10.013 1.00 41.45 H new ATOM 0 HG2 LYS A 73 6.662 -21.940 -11.448 1.00 0.43 H new ATOM 0 HG3 LYS A 73 7.055 -20.532 -12.414 1.00 0.43 H new ATOM 0 HD2 LYS A 73 9.397 -20.608 -11.609 1.00 24.31 H new ATOM 0 HD3 LYS A 73 9.016 -21.980 -10.587 1.00 24.31 H new ATOM 0 HE2 LYS A 73 8.111 -22.603 -13.240 1.00 34.22 H new ATOM 0 HE3 LYS A 73 9.736 -21.961 -13.376 1.00 34.22 H new ATOM 0 HZ1 LYS A 73 9.762 -24.348 -13.044 1.00 0.44 H new ATOM 0 HZ2 LYS A 73 10.482 -23.571 -11.717 1.00 0.44 H new ATOM 0 HZ3 LYS A 73 8.907 -24.193 -11.585 1.00 0.44 H new ATOM 1130 N PHE A 74 7.960 -20.681 -7.198 1.00 32.20 N ATOM 1131 CA PHE A 74 9.043 -21.071 -6.302 1.00 22.41 C ATOM 1132 C PHE A 74 8.527 -21.974 -5.186 1.00 33.01 C ATOM 1133 O PHE A 74 9.281 -22.752 -4.603 1.00 0.35 O ATOM 1134 CB PHE A 74 9.710 -19.830 -5.703 1.00 60.41 C ATOM 1135 CG PHE A 74 11.190 -19.984 -5.502 1.00 31.13 C ATOM 1136 CD1 PHE A 74 12.086 -19.285 -6.295 1.00 13.05 C ATOM 1137 CD2 PHE A 74 11.685 -20.827 -4.521 1.00 14.25 C ATOM 1138 CE1 PHE A 74 13.450 -19.423 -6.112 1.00 23.45 C ATOM 1139 CE2 PHE A 74 13.047 -20.969 -4.333 1.00 33.54 C ATOM 1140 CZ PHE A 74 13.931 -20.268 -5.132 1.00 45.25 C ATOM 0 H PHE A 74 7.512 -19.796 -6.958 1.00 32.20 H new ATOM 0 HA PHE A 74 9.780 -21.626 -6.883 1.00 22.41 H new ATOM 0 HB2 PHE A 74 9.527 -18.977 -6.357 1.00 60.41 H new ATOM 0 HB3 PHE A 74 9.243 -19.603 -4.745 1.00 60.41 H new ATOM 0 HD1 PHE A 74 11.715 -18.625 -7.065 1.00 13.05 H new ATOM 0 HD2 PHE A 74 10.999 -21.380 -3.896 1.00 14.25 H new ATOM 0 HE1 PHE A 74 14.138 -18.870 -6.735 1.00 23.45 H new ATOM 0 HE2 PHE A 74 13.420 -21.627 -3.562 1.00 33.54 H new ATOM 0 HZ PHE A 74 14.996 -20.381 -4.990 1.00 45.25 H new ATOM 1150 N GLY A 75 7.234 -21.863 -4.892 1.00 34.40 N ATOM 1151 CA GLY A 75 6.640 -22.674 -3.847 1.00 62.40 C ATOM 1152 C GLY A 75 5.723 -21.873 -2.943 1.00 73.31 C ATOM 1153 O GLY A 75 4.633 -21.473 -3.351 1.00 62.45 O ATOM 0 H GLY A 75 6.589 -21.226 -5.359 1.00 34.40 H new ATOM 0 HA2 GLY A 75 6.077 -23.490 -4.300 1.00 62.40 H new ATOM 0 HA3 GLY A 75 7.431 -23.127 -3.249 1.00 62.40 H new ATOM 1157 N SER A 76 6.165 -21.640 -1.712 1.00 12.21 N ATOM 1158 CA SER A 76 5.375 -20.886 -0.746 1.00 64.34 C ATOM 1159 C SER A 76 6.120 -20.752 0.579 1.00 65.45 C ATOM 1160 O SER A 76 6.785 -21.687 1.026 1.00 4.51 O ATOM 1161 CB SER A 76 4.024 -21.568 -0.519 1.00 45.43 C ATOM 1162 OG SER A 76 3.017 -20.986 -1.328 1.00 63.11 O ATOM 0 H SER A 76 7.066 -21.963 -1.360 1.00 12.21 H new ATOM 0 HA SER A 76 5.207 -19.888 -1.150 1.00 64.34 H new ATOM 0 HB2 SER A 76 4.107 -22.631 -0.745 1.00 45.43 H new ATOM 0 HB3 SER A 76 3.744 -21.486 0.531 1.00 45.43 H new ATOM 0 HG SER A 76 3.298 -21.008 -2.267 1.00 63.11 H new ATOM 1168 N SER A 77 6.000 -19.584 1.203 1.00 32.41 N ATOM 1169 CA SER A 77 6.664 -19.326 2.475 1.00 62.14 C ATOM 1170 C SER A 77 5.713 -18.649 3.457 1.00 3.22 C ATOM 1171 O SER A 77 4.799 -17.926 3.057 1.00 22.11 O ATOM 1172 CB SER A 77 7.901 -18.452 2.260 1.00 51.41 C ATOM 1173 OG SER A 77 7.907 -17.349 3.150 1.00 15.00 O ATOM 0 H SER A 77 5.449 -18.802 0.848 1.00 32.41 H new ATOM 0 HA SER A 77 6.972 -20.283 2.897 1.00 62.14 H new ATOM 0 HB2 SER A 77 8.801 -19.048 2.408 1.00 51.41 H new ATOM 0 HB3 SER A 77 7.922 -18.093 1.231 1.00 51.41 H new ATOM 0 HG SER A 77 8.708 -16.807 2.994 1.00 15.00 H new ATOM 1179 N LYS A 78 5.934 -18.887 4.745 1.00 3.55 N ATOM 1180 CA LYS A 78 5.099 -18.299 5.787 1.00 31.34 C ATOM 1181 C LYS A 78 5.346 -16.798 5.900 1.00 12.41 C ATOM 1182 O LYS A 78 4.411 -16.017 6.068 1.00 42.22 O ATOM 1183 CB LYS A 78 5.374 -18.976 7.131 1.00 53.13 C ATOM 1184 CG LYS A 78 4.154 -19.054 8.033 1.00 2.12 C ATOM 1185 CD LYS A 78 3.747 -20.493 8.298 1.00 55.23 C ATOM 1186 CE LYS A 78 4.764 -21.206 9.178 1.00 25.51 C ATOM 1187 NZ LYS A 78 4.241 -21.435 10.554 1.00 20.10 N ATOM 0 H LYS A 78 6.685 -19.483 5.093 1.00 3.55 H new ATOM 0 HA LYS A 78 4.055 -18.457 5.515 1.00 31.34 H new ATOM 0 HB2 LYS A 78 5.748 -19.984 6.951 1.00 53.13 H new ATOM 0 HB3 LYS A 78 6.164 -18.431 7.648 1.00 53.13 H new ATOM 0 HG2 LYS A 78 4.367 -18.555 8.979 1.00 2.12 H new ATOM 0 HG3 LYS A 78 3.324 -18.520 7.571 1.00 2.12 H new ATOM 0 HD2 LYS A 78 2.769 -20.513 8.780 1.00 55.23 H new ATOM 0 HD3 LYS A 78 3.647 -21.024 7.352 1.00 55.23 H new ATOM 0 HE2 LYS A 78 5.029 -22.162 8.726 1.00 25.51 H new ATOM 0 HE3 LYS A 78 5.678 -20.614 9.230 1.00 25.51 H new ATOM 0 HZ1 LYS A 78 4.962 -21.923 11.123 1.00 20.10 H new ATOM 0 HZ2 LYS A 78 4.012 -20.521 10.995 1.00 20.10 H new ATOM 0 HZ3 LYS A 78 3.383 -22.021 10.506 1.00 20.10 H new ATOM 1201 N GLU A 79 6.612 -16.402 5.807 1.00 73.44 N ATOM 1202 CA GLU A 79 6.981 -14.995 5.900 1.00 31.24 C ATOM 1203 C GLU A 79 6.431 -14.210 4.713 1.00 21.22 C ATOM 1204 O GLU A 79 5.753 -13.196 4.886 1.00 34.30 O ATOM 1205 CB GLU A 79 8.503 -14.846 5.963 1.00 62.50 C ATOM 1206 CG GLU A 79 9.052 -14.805 7.379 1.00 50.42 C ATOM 1207 CD GLU A 79 10.263 -15.698 7.562 1.00 14.04 C ATOM 1208 OE1 GLU A 79 10.121 -16.929 7.403 1.00 33.40 O ATOM 1209 OE2 GLU A 79 11.352 -15.167 7.864 1.00 73.55 O ATOM 0 H GLU A 79 7.399 -17.036 5.667 1.00 73.44 H new ATOM 0 HA GLU A 79 6.546 -14.591 6.814 1.00 31.24 H new ATOM 0 HB2 GLU A 79 8.963 -15.676 5.428 1.00 62.50 H new ATOM 0 HB3 GLU A 79 8.792 -13.932 5.444 1.00 62.50 H new ATOM 0 HG2 GLU A 79 9.321 -13.779 7.631 1.00 50.42 H new ATOM 0 HG3 GLU A 79 8.272 -15.110 8.076 1.00 50.42 H new ATOM 1216 N ILE A 80 6.729 -14.684 3.508 1.00 73.10 N ATOM 1217 CA ILE A 80 6.265 -14.028 2.292 1.00 45.45 C ATOM 1218 C ILE A 80 4.742 -14.041 2.208 1.00 4.42 C ATOM 1219 O ILE A 80 4.132 -13.122 1.659 1.00 54.03 O ATOM 1220 CB ILE A 80 6.843 -14.699 1.033 1.00 13.30 C ATOM 1221 CG1 ILE A 80 6.565 -13.841 -0.203 1.00 62.34 C ATOM 1222 CG2 ILE A 80 6.259 -16.092 0.861 1.00 34.44 C ATOM 1223 CD1 ILE A 80 7.722 -13.786 -1.174 1.00 1.52 C ATOM 0 H ILE A 80 7.290 -15.521 3.348 1.00 73.10 H new ATOM 0 HA ILE A 80 6.616 -12.997 2.337 1.00 45.45 H new ATOM 0 HB ILE A 80 7.923 -14.791 1.151 1.00 13.30 H new ATOM 0 HG12 ILE A 80 5.688 -14.233 -0.718 1.00 62.34 H new ATOM 0 HG13 ILE A 80 6.321 -12.828 0.116 1.00 62.34 H new ATOM 0 HG21 ILE A 80 6.677 -16.554 -0.033 1.00 34.44 H new ATOM 0 HG22 ILE A 80 6.505 -16.700 1.732 1.00 34.44 H new ATOM 0 HG23 ILE A 80 5.176 -16.023 0.761 1.00 34.44 H new ATOM 0 HD11 ILE A 80 7.453 -13.160 -2.025 1.00 1.52 H new ATOM 0 HD12 ILE A 80 8.595 -13.365 -0.676 1.00 1.52 H new ATOM 0 HD13 ILE A 80 7.953 -14.793 -1.522 1.00 1.52 H new ATOM 1235 N ASP A 81 4.134 -15.087 2.756 1.00 32.24 N ATOM 1236 CA ASP A 81 2.681 -15.218 2.745 1.00 73.35 C ATOM 1237 C ASP A 81 2.027 -14.086 3.529 1.00 53.22 C ATOM 1238 O ASP A 81 1.113 -13.424 3.038 1.00 12.12 O ATOM 1239 CB ASP A 81 2.267 -16.569 3.333 1.00 4.13 C ATOM 1240 CG ASP A 81 0.786 -16.629 3.655 1.00 34.23 C ATOM 1241 OD1 ASP A 81 0.429 -17.221 4.695 1.00 31.24 O ATOM 1242 OD2 ASP A 81 -0.015 -16.085 2.867 1.00 3.11 O ATOM 0 H ASP A 81 4.624 -15.856 3.213 1.00 32.24 H new ATOM 0 HA ASP A 81 2.343 -15.161 1.710 1.00 73.35 H new ATOM 0 HB2 ASP A 81 2.515 -17.361 2.627 1.00 4.13 H new ATOM 0 HB3 ASP A 81 2.841 -16.759 4.240 1.00 4.13 H new ATOM 1247 N MET A 82 2.500 -13.870 4.753 1.00 3.24 N ATOM 1248 CA MET A 82 1.961 -12.816 5.604 1.00 42.31 C ATOM 1249 C MET A 82 2.135 -11.447 4.954 1.00 34.42 C ATOM 1250 O MET A 82 1.214 -10.632 4.946 1.00 72.14 O ATOM 1251 CB MET A 82 2.647 -12.835 6.972 1.00 32.53 C ATOM 1252 CG MET A 82 1.820 -13.503 8.058 1.00 20.33 C ATOM 1253 SD MET A 82 2.836 -14.346 9.286 1.00 73.31 S ATOM 1254 CE MET A 82 2.317 -13.514 10.785 1.00 72.50 C ATOM 0 H MET A 82 3.254 -14.410 5.177 1.00 3.24 H new ATOM 0 HA MET A 82 0.895 -13.001 5.737 1.00 42.31 H new ATOM 0 HB2 MET A 82 3.602 -13.354 6.883 1.00 32.53 H new ATOM 0 HB3 MET A 82 2.867 -11.811 7.273 1.00 32.53 H new ATOM 0 HG2 MET A 82 1.205 -12.752 8.554 1.00 20.33 H new ATOM 0 HG3 MET A 82 1.139 -14.221 7.601 1.00 20.33 H new ATOM 0 HE1 MET A 82 2.859 -13.926 11.636 1.00 72.50 H new ATOM 0 HE2 MET A 82 2.529 -12.448 10.702 1.00 72.50 H new ATOM 0 HE3 MET A 82 1.247 -13.661 10.931 1.00 72.50 H new ATOM 1264 N ALA A 83 3.323 -11.203 4.410 1.00 24.32 N ATOM 1265 CA ALA A 83 3.616 -9.934 3.756 1.00 20.23 C ATOM 1266 C ALA A 83 2.584 -9.620 2.677 1.00 14.10 C ATOM 1267 O ALA A 83 2.102 -8.492 2.576 1.00 52.24 O ATOM 1268 CB ALA A 83 5.015 -9.959 3.159 1.00 33.15 C ATOM 0 H ALA A 83 4.097 -11.867 4.409 1.00 24.32 H new ATOM 0 HA ALA A 83 3.567 -9.147 4.508 1.00 20.23 H new ATOM 0 HB1 ALA A 83 5.221 -9.005 2.674 1.00 33.15 H new ATOM 0 HB2 ALA A 83 5.745 -10.128 3.950 1.00 33.15 H new ATOM 0 HB3 ALA A 83 5.083 -10.762 2.425 1.00 33.15 H new ATOM 1274 N ILE A 84 2.252 -10.625 1.874 1.00 43.02 N ATOM 1275 CA ILE A 84 1.277 -10.456 0.803 1.00 14.12 C ATOM 1276 C ILE A 84 -0.084 -10.050 1.358 1.00 42.30 C ATOM 1277 O ILE A 84 -0.667 -9.052 0.934 1.00 63.43 O ATOM 1278 CB ILE A 84 1.119 -11.746 -0.023 1.00 2.42 C ATOM 1279 CG1 ILE A 84 2.455 -12.141 -0.654 1.00 14.14 C ATOM 1280 CG2 ILE A 84 0.055 -11.561 -1.094 1.00 20.22 C ATOM 1281 CD1 ILE A 84 2.609 -13.631 -0.863 1.00 41.35 C ATOM 0 H ILE A 84 2.643 -11.564 1.944 1.00 43.02 H new ATOM 0 HA ILE A 84 1.653 -9.664 0.155 1.00 14.12 H new ATOM 0 HB ILE A 84 0.802 -12.549 0.642 1.00 2.42 H new ATOM 0 HG12 ILE A 84 2.557 -11.635 -1.614 1.00 14.14 H new ATOM 0 HG13 ILE A 84 3.266 -11.786 -0.019 1.00 14.14 H new ATOM 0 HG21 ILE A 84 -0.045 -12.481 -1.670 1.00 20.22 H new ATOM 0 HG22 ILE A 84 -0.898 -11.322 -0.622 1.00 20.22 H new ATOM 0 HG23 ILE A 84 0.345 -10.747 -1.758 1.00 20.22 H new ATOM 0 HD11 ILE A 84 3.580 -13.837 -1.314 1.00 41.35 H new ATOM 0 HD12 ILE A 84 2.539 -14.142 0.097 1.00 41.35 H new ATOM 0 HD13 ILE A 84 1.819 -13.989 -1.523 1.00 41.35 H new ATOM 1293 N VAL A 85 -0.585 -10.831 2.311 1.00 13.45 N ATOM 1294 CA VAL A 85 -1.877 -10.551 2.927 1.00 51.41 C ATOM 1295 C VAL A 85 -1.923 -9.135 3.489 1.00 11.41 C ATOM 1296 O VAL A 85 -2.974 -8.495 3.504 1.00 2.55 O ATOM 1297 CB VAL A 85 -2.187 -11.550 4.057 1.00 71.32 C ATOM 1298 CG1 VAL A 85 -3.601 -11.346 4.577 1.00 60.35 C ATOM 1299 CG2 VAL A 85 -1.988 -12.979 3.573 1.00 61.24 C ATOM 0 H VAL A 85 -0.116 -11.662 2.673 1.00 13.45 H new ATOM 0 HA VAL A 85 -2.629 -10.653 2.145 1.00 51.41 H new ATOM 0 HB VAL A 85 -1.494 -11.369 4.879 1.00 71.32 H new ATOM 0 HG11 VAL A 85 -3.802 -12.061 5.375 1.00 60.35 H new ATOM 0 HG12 VAL A 85 -3.704 -10.332 4.964 1.00 60.35 H new ATOM 0 HG13 VAL A 85 -4.313 -11.499 3.766 1.00 60.35 H new ATOM 0 HG21 VAL A 85 -2.211 -13.672 4.384 1.00 61.24 H new ATOM 0 HG22 VAL A 85 -2.655 -13.175 2.734 1.00 61.24 H new ATOM 0 HG23 VAL A 85 -0.955 -13.115 3.254 1.00 61.24 H new ATOM 1309 N THR A 86 -0.775 -8.649 3.952 1.00 74.22 N ATOM 1310 CA THR A 86 -0.683 -7.309 4.516 1.00 33.40 C ATOM 1311 C THR A 86 -0.941 -6.247 3.454 1.00 13.54 C ATOM 1312 O THR A 86 -1.781 -5.365 3.633 1.00 24.20 O ATOM 1313 CB THR A 86 0.698 -7.059 5.151 1.00 73.23 C ATOM 1314 OG1 THR A 86 1.113 -8.215 5.889 1.00 10.43 O ATOM 1315 CG2 THR A 86 0.659 -5.850 6.072 1.00 51.31 C ATOM 0 H THR A 86 0.105 -9.165 3.947 1.00 74.22 H new ATOM 0 HA THR A 86 -1.448 -7.239 5.290 1.00 33.40 H new ATOM 0 HB THR A 86 1.412 -6.863 4.351 1.00 73.23 H new ATOM 0 HG1 THR A 86 1.444 -8.898 5.269 1.00 10.43 H new ATOM 0 HG21 THR A 86 1.645 -5.693 6.509 1.00 51.31 H new ATOM 0 HG22 THR A 86 0.370 -4.967 5.502 1.00 51.31 H new ATOM 0 HG23 THR A 86 -0.067 -6.022 6.867 1.00 51.31 H new ATOM 1323 N LEU A 87 -0.212 -6.336 2.346 1.00 5.02 N ATOM 1324 CA LEU A 87 -0.363 -5.382 1.252 1.00 50.51 C ATOM 1325 C LEU A 87 -1.780 -5.417 0.690 1.00 44.00 C ATOM 1326 O LEU A 87 -2.265 -4.429 0.139 1.00 42.12 O ATOM 1327 CB LEU A 87 0.646 -5.684 0.143 1.00 73.34 C ATOM 1328 CG LEU A 87 1.980 -4.941 0.227 1.00 22.40 C ATOM 1329 CD1 LEU A 87 2.993 -5.553 -0.729 1.00 44.42 C ATOM 1330 CD2 LEU A 87 1.785 -3.462 -0.074 1.00 21.20 C ATOM 0 H LEU A 87 0.489 -7.059 2.182 1.00 5.02 H new ATOM 0 HA LEU A 87 -0.173 -4.383 1.645 1.00 50.51 H new ATOM 0 HB2 LEU A 87 0.849 -6.755 0.146 1.00 73.34 H new ATOM 0 HB3 LEU A 87 0.183 -5.450 -0.815 1.00 73.34 H new ATOM 0 HG LEU A 87 2.365 -5.037 1.242 1.00 22.40 H new ATOM 0 HD11 LEU A 87 3.936 -5.011 -0.655 1.00 44.42 H new ATOM 0 HD12 LEU A 87 3.154 -6.599 -0.468 1.00 44.42 H new ATOM 0 HD13 LEU A 87 2.616 -5.488 -1.750 1.00 44.42 H new ATOM 0 HD21 LEU A 87 2.744 -2.948 -0.010 1.00 21.20 H new ATOM 0 HD22 LEU A 87 1.377 -3.346 -1.078 1.00 21.20 H new ATOM 0 HD23 LEU A 87 1.094 -3.031 0.650 1.00 21.20 H new ATOM 1342 N LYS A 88 -2.440 -6.560 0.836 1.00 20.34 N ATOM 1343 CA LYS A 88 -3.804 -6.725 0.346 1.00 40.41 C ATOM 1344 C LYS A 88 -4.789 -5.943 1.208 1.00 63.03 C ATOM 1345 O LYS A 88 -5.435 -5.006 0.738 1.00 54.04 O ATOM 1346 CB LYS A 88 -4.188 -8.206 0.330 1.00 52.21 C ATOM 1347 CG LYS A 88 -3.490 -9.002 -0.760 1.00 62.14 C ATOM 1348 CD LYS A 88 -4.043 -10.415 -0.857 1.00 30.14 C ATOM 1349 CE LYS A 88 -3.107 -11.327 -1.635 1.00 55.22 C ATOM 1350 NZ LYS A 88 -3.777 -11.931 -2.820 1.00 12.34 N ATOM 0 H LYS A 88 -2.053 -7.387 1.290 1.00 20.34 H new ATOM 0 HA LYS A 88 -3.847 -6.335 -0.671 1.00 40.41 H new ATOM 0 HB2 LYS A 88 -3.950 -8.645 1.299 1.00 52.21 H new ATOM 0 HB3 LYS A 88 -5.266 -8.292 0.198 1.00 52.21 H new ATOM 0 HG2 LYS A 88 -3.612 -8.495 -1.717 1.00 62.14 H new ATOM 0 HG3 LYS A 88 -2.420 -9.042 -0.555 1.00 62.14 H new ATOM 0 HD2 LYS A 88 -4.195 -10.817 0.145 1.00 30.14 H new ATOM 0 HD3 LYS A 88 -5.018 -10.393 -1.343 1.00 30.14 H new ATOM 0 HE2 LYS A 88 -2.235 -10.759 -1.961 1.00 55.22 H new ATOM 0 HE3 LYS A 88 -2.745 -12.119 -0.980 1.00 55.22 H new ATOM 0 HZ1 LYS A 88 -3.084 -12.055 -3.585 1.00 12.34 H new ATOM 0 HZ2 LYS A 88 -4.175 -12.856 -2.560 1.00 12.34 H new ATOM 0 HZ3 LYS A 88 -4.541 -11.304 -3.143 1.00 12.34 H new ATOM 1364 N VAL A 89 -4.900 -6.333 2.474 1.00 73.13 N ATOM 1365 CA VAL A 89 -5.805 -5.667 3.404 1.00 71.32 C ATOM 1366 C VAL A 89 -5.583 -4.159 3.401 1.00 4.12 C ATOM 1367 O VAL A 89 -6.533 -3.381 3.486 1.00 22.30 O ATOM 1368 CB VAL A 89 -5.628 -6.199 4.838 1.00 13.41 C ATOM 1369 CG1 VAL A 89 -4.180 -6.060 5.284 1.00 31.33 C ATOM 1370 CG2 VAL A 89 -6.560 -5.471 5.795 1.00 63.31 C ATOM 0 H VAL A 89 -4.374 -7.107 2.879 1.00 73.13 H new ATOM 0 HA VAL A 89 -6.819 -5.883 3.068 1.00 71.32 H new ATOM 0 HB VAL A 89 -5.887 -7.258 4.849 1.00 13.41 H new ATOM 0 HG11 VAL A 89 -4.074 -6.441 6.300 1.00 31.33 H new ATOM 0 HG12 VAL A 89 -3.537 -6.630 4.614 1.00 31.33 H new ATOM 0 HG13 VAL A 89 -3.891 -5.009 5.259 1.00 31.33 H new ATOM 0 HG21 VAL A 89 -6.422 -5.860 6.804 1.00 63.31 H new ATOM 0 HG22 VAL A 89 -6.334 -4.405 5.783 1.00 63.31 H new ATOM 0 HG23 VAL A 89 -7.593 -5.626 5.485 1.00 63.31 H new ATOM 1380 N PHE A 90 -4.322 -3.753 3.303 1.00 5.21 N ATOM 1381 CA PHE A 90 -3.974 -2.336 3.290 1.00 74.31 C ATOM 1382 C PHE A 90 -4.433 -1.676 1.993 1.00 25.14 C ATOM 1383 O PHE A 90 -4.866 -0.524 1.990 1.00 1.22 O ATOM 1384 CB PHE A 90 -2.464 -2.158 3.458 1.00 52.33 C ATOM 1385 CG PHE A 90 -2.000 -0.744 3.252 1.00 74.40 C ATOM 1386 CD1 PHE A 90 -1.598 -0.310 1.999 1.00 63.11 C ATOM 1387 CD2 PHE A 90 -1.964 0.148 4.311 1.00 25.23 C ATOM 1388 CE1 PHE A 90 -1.171 0.990 1.806 1.00 3.24 C ATOM 1389 CE2 PHE A 90 -1.538 1.450 4.122 1.00 44.13 C ATOM 1390 CZ PHE A 90 -1.140 1.871 2.869 1.00 24.42 C ATOM 0 H PHE A 90 -3.524 -4.384 3.231 1.00 5.21 H new ATOM 0 HA PHE A 90 -4.485 -1.854 4.124 1.00 74.31 H new ATOM 0 HB2 PHE A 90 -2.177 -2.484 4.458 1.00 52.33 H new ATOM 0 HB3 PHE A 90 -1.949 -2.808 2.751 1.00 52.33 H new ATOM 0 HD1 PHE A 90 -1.619 -0.995 1.164 1.00 63.11 H new ATOM 0 HD2 PHE A 90 -2.272 -0.177 5.294 1.00 25.23 H new ATOM 0 HE1 PHE A 90 -0.862 1.317 0.824 1.00 3.24 H new ATOM 0 HE2 PHE A 90 -1.517 2.137 4.955 1.00 44.13 H new ATOM 0 HZ PHE A 90 -0.805 2.887 2.720 1.00 24.42 H new ATOM 1400 N ALA A 91 -4.335 -2.414 0.892 1.00 61.24 N ATOM 1401 CA ALA A 91 -4.742 -1.902 -0.410 1.00 52.51 C ATOM 1402 C ALA A 91 -6.244 -1.641 -0.454 1.00 72.12 C ATOM 1403 O ALA A 91 -6.685 -0.560 -0.843 1.00 0.44 O ATOM 1404 CB ALA A 91 -4.341 -2.875 -1.508 1.00 72.41 C ATOM 0 H ALA A 91 -3.977 -3.369 0.876 1.00 61.24 H new ATOM 0 HA ALA A 91 -4.231 -0.954 -0.575 1.00 52.51 H new ATOM 0 HB1 ALA A 91 -4.651 -2.480 -2.475 1.00 72.41 H new ATOM 0 HB2 ALA A 91 -3.259 -3.007 -1.500 1.00 72.41 H new ATOM 0 HB3 ALA A 91 -4.825 -3.837 -1.337 1.00 72.41 H new ATOM 1410 N VAL A 92 -7.025 -2.638 -0.052 1.00 74.31 N ATOM 1411 CA VAL A 92 -8.478 -2.516 -0.044 1.00 73.32 C ATOM 1412 C VAL A 92 -8.942 -1.551 1.039 1.00 42.21 C ATOM 1413 O VAL A 92 -9.657 -0.588 0.762 1.00 45.21 O ATOM 1414 CB VAL A 92 -9.154 -3.883 0.176 1.00 52.23 C ATOM 1415 CG1 VAL A 92 -10.658 -3.771 -0.017 1.00 25.41 C ATOM 1416 CG2 VAL A 92 -8.564 -4.927 -0.760 1.00 2.14 C ATOM 0 H VAL A 92 -6.676 -3.540 0.273 1.00 74.31 H new ATOM 0 HA VAL A 92 -8.769 -2.128 -1.020 1.00 73.32 H new ATOM 0 HB VAL A 92 -8.966 -4.201 1.201 1.00 52.23 H new ATOM 0 HG11 VAL A 92 -11.119 -4.746 0.142 1.00 25.41 H new ATOM 0 HG12 VAL A 92 -11.064 -3.056 0.699 1.00 25.41 H new ATOM 0 HG13 VAL A 92 -10.870 -3.430 -1.030 1.00 25.41 H new ATOM 0 HG21 VAL A 92 -9.054 -5.886 -0.590 1.00 2.14 H new ATOM 0 HG22 VAL A 92 -8.719 -4.618 -1.794 1.00 2.14 H new ATOM 0 HG23 VAL A 92 -7.496 -5.026 -0.568 1.00 2.14 H new ATOM 1426 N ALA A 93 -8.532 -1.814 2.275 1.00 55.22 N ATOM 1427 CA ALA A 93 -8.904 -0.966 3.401 1.00 22.22 C ATOM 1428 C ALA A 93 -8.297 0.426 3.265 1.00 61.41 C ATOM 1429 O ALA A 93 -8.683 1.355 3.973 1.00 75.24 O ATOM 1430 CB ALA A 93 -8.470 -1.607 4.711 1.00 35.44 C ATOM 0 H ALA A 93 -7.942 -2.608 2.522 1.00 55.22 H new ATOM 0 HA ALA A 93 -9.989 -0.862 3.402 1.00 22.22 H new ATOM 0 HB1 ALA A 93 -8.754 -0.963 5.543 1.00 35.44 H new ATOM 0 HB2 ALA A 93 -8.956 -2.577 4.820 1.00 35.44 H new ATOM 0 HB3 ALA A 93 -7.388 -1.742 4.709 1.00 35.44 H new ATOM 1436 N GLY A 94 -7.343 0.563 2.348 1.00 54.43 N ATOM 1437 CA GLY A 94 -6.697 1.846 2.136 1.00 60.21 C ATOM 1438 C GLY A 94 -7.251 2.581 0.932 1.00 42.30 C ATOM 1439 O GLY A 94 -7.972 3.570 1.076 1.00 52.43 O ATOM 0 H GLY A 94 -7.006 -0.191 1.749 1.00 54.43 H new ATOM 0 HA2 GLY A 94 -6.823 2.464 3.025 1.00 60.21 H new ATOM 0 HA3 GLY A 94 -5.626 1.693 2.003 1.00 60.21 H new ATOM 1443 N LEU A 95 -6.912 2.101 -0.259 1.00 65.30 N ATOM 1444 CA LEU A 95 -7.380 2.721 -1.495 1.00 72.13 C ATOM 1445 C LEU A 95 -8.903 2.716 -1.564 1.00 2.13 C ATOM 1446 O LEU A 95 -9.520 3.703 -1.965 1.00 1.35 O ATOM 1447 CB LEU A 95 -6.800 1.989 -2.706 1.00 71.41 C ATOM 1448 CG LEU A 95 -5.327 2.262 -3.014 1.00 22.44 C ATOM 1449 CD1 LEU A 95 -5.077 3.756 -3.142 1.00 64.00 C ATOM 1450 CD2 LEU A 95 -4.436 1.660 -1.938 1.00 22.00 C ATOM 0 H LEU A 95 -6.315 1.285 -0.396 1.00 65.30 H new ATOM 0 HA LEU A 95 -7.039 3.756 -1.506 1.00 72.13 H new ATOM 0 HB2 LEU A 95 -6.926 0.917 -2.552 1.00 71.41 H new ATOM 0 HB3 LEU A 95 -7.389 2.256 -3.583 1.00 71.41 H new ATOM 0 HG LEU A 95 -5.081 1.791 -3.966 1.00 22.44 H new ATOM 0 HD11 LEU A 95 -4.024 3.931 -3.361 1.00 64.00 H new ATOM 0 HD12 LEU A 95 -5.688 4.159 -3.950 1.00 64.00 H new ATOM 0 HD13 LEU A 95 -5.340 4.250 -2.207 1.00 64.00 H new ATOM 0 HD21 LEU A 95 -3.392 1.864 -2.174 1.00 22.00 H new ATOM 0 HD22 LEU A 95 -4.683 2.101 -0.972 1.00 22.00 H new ATOM 0 HD23 LEU A 95 -4.594 0.582 -1.895 1.00 22.00 H new ATOM 1462 N LEU A 96 -9.505 1.599 -1.169 1.00 10.24 N ATOM 1463 CA LEU A 96 -10.958 1.467 -1.184 1.00 12.31 C ATOM 1464 C LEU A 96 -11.559 1.914 0.144 1.00 10.34 C ATOM 1465 O LEU A 96 -12.779 1.964 0.299 1.00 74.11 O ATOM 1466 CB LEU A 96 -11.354 0.018 -1.473 1.00 32.34 C ATOM 1467 CG LEU A 96 -12.058 -0.231 -2.808 1.00 41.14 C ATOM 1468 CD1 LEU A 96 -11.134 0.097 -3.969 1.00 34.02 C ATOM 1469 CD2 LEU A 96 -12.538 -1.672 -2.896 1.00 64.43 C ATOM 0 H LEU A 96 -9.010 0.772 -0.835 1.00 10.24 H new ATOM 0 HA LEU A 96 -11.349 2.109 -1.973 1.00 12.31 H new ATOM 0 HB2 LEU A 96 -10.455 -0.597 -1.439 1.00 32.34 H new ATOM 0 HB3 LEU A 96 -12.007 -0.326 -0.671 1.00 32.34 H new ATOM 0 HG LEU A 96 -12.927 0.425 -2.867 1.00 41.14 H new ATOM 0 HD11 LEU A 96 -11.653 -0.087 -4.910 1.00 34.02 H new ATOM 0 HD12 LEU A 96 -10.840 1.145 -3.915 1.00 34.02 H new ATOM 0 HD13 LEU A 96 -10.245 -0.532 -3.916 1.00 34.02 H new ATOM 0 HD21 LEU A 96 -13.037 -1.832 -3.852 1.00 64.43 H new ATOM 0 HD22 LEU A 96 -11.685 -2.345 -2.815 1.00 64.43 H new ATOM 0 HD23 LEU A 96 -13.237 -1.873 -2.084 1.00 64.43 H new ATOM 1481 N ASN A 97 -10.695 2.243 1.099 1.00 34.15 N ATOM 1482 CA ASN A 97 -11.140 2.688 2.413 1.00 45.41 C ATOM 1483 C ASN A 97 -12.164 1.721 2.998 1.00 64.50 C ATOM 1484 O ASN A 97 -13.050 2.120 3.753 1.00 63.20 O ATOM 1485 CB ASN A 97 -11.743 4.092 2.322 1.00 23.11 C ATOM 1486 CG ASN A 97 -10.714 5.140 1.942 1.00 62.20 C ATOM 1487 OD1 ASN A 97 -9.615 5.177 2.496 1.00 44.24 O ATOM 1488 ND2 ASN A 97 -11.066 5.997 0.991 1.00 23.41 N ATOM 0 H ASN A 97 -9.682 2.209 0.986 1.00 34.15 H new ATOM 0 HA ASN A 97 -10.273 2.713 3.073 1.00 45.41 H new ATOM 0 HB2 ASN A 97 -12.547 4.092 1.586 1.00 23.11 H new ATOM 0 HB3 ASN A 97 -12.189 4.356 3.281 1.00 23.11 H new ATOM 0 HD21 ASN A 97 -10.415 6.723 0.692 1.00 23.41 H new ATOM 0 HD22 ASN A 97 -11.988 5.929 0.559 1.00 23.41 H new ATOM 1495 N MET A 98 -12.036 0.446 2.643 1.00 4.02 N ATOM 1496 CA MET A 98 -12.950 -0.579 3.133 1.00 2.21 C ATOM 1497 C MET A 98 -12.272 -1.452 4.184 1.00 62.05 C ATOM 1498 O MET A 98 -11.815 -2.557 3.888 1.00 14.13 O ATOM 1499 CB MET A 98 -13.447 -1.446 1.975 1.00 34.44 C ATOM 1500 CG MET A 98 -14.672 -2.276 2.320 1.00 24.45 C ATOM 1501 SD MET A 98 -15.599 -2.785 0.858 1.00 45.30 S ATOM 1502 CE MET A 98 -16.397 -4.269 1.464 1.00 61.11 C ATOM 0 H MET A 98 -11.308 0.099 2.018 1.00 4.02 H new ATOM 0 HA MET A 98 -13.803 -0.081 3.595 1.00 2.21 H new ATOM 0 HB2 MET A 98 -13.681 -0.804 1.126 1.00 34.44 H new ATOM 0 HB3 MET A 98 -12.644 -2.112 1.660 1.00 34.44 H new ATOM 0 HG2 MET A 98 -14.362 -3.161 2.876 1.00 24.45 H new ATOM 0 HG3 MET A 98 -15.324 -1.700 2.977 1.00 24.45 H new ATOM 0 HE1 MET A 98 -17.009 -4.702 0.673 1.00 61.11 H new ATOM 0 HE2 MET A 98 -15.639 -4.989 1.773 1.00 61.11 H new ATOM 0 HE3 MET A 98 -17.029 -4.020 2.316 1.00 61.11 H new ATOM 1512 N THR A 99 -12.212 -0.951 5.414 1.00 13.11 N ATOM 1513 CA THR A 99 -11.589 -1.685 6.508 1.00 63.32 C ATOM 1514 C THR A 99 -12.222 -3.062 6.677 1.00 34.43 C ATOM 1515 O THR A 99 -13.293 -3.196 7.267 1.00 53.14 O ATOM 1516 CB THR A 99 -11.702 -0.915 7.838 1.00 1.03 C ATOM 1517 OG1 THR A 99 -11.315 -1.759 8.928 1.00 65.12 O ATOM 1518 CG2 THR A 99 -13.123 -0.417 8.055 1.00 10.14 C ATOM 0 H THR A 99 -12.587 -0.040 5.677 1.00 13.11 H new ATOM 0 HA THR A 99 -10.536 -1.800 6.251 1.00 63.32 H new ATOM 0 HB THR A 99 -11.035 -0.054 7.792 1.00 1.03 H new ATOM 0 HG1 THR A 99 -12.116 -2.111 9.370 1.00 65.12 H new ATOM 0 HG21 THR A 99 -13.179 0.124 9.000 1.00 10.14 H new ATOM 0 HG22 THR A 99 -13.404 0.249 7.239 1.00 10.14 H new ATOM 0 HG23 THR A 99 -13.806 -1.266 8.082 1.00 10.14 H new ATOM 1526 N VAL A 100 -11.551 -4.085 6.155 1.00 2.33 N ATOM 1527 CA VAL A 100 -12.047 -5.452 6.249 1.00 14.22 C ATOM 1528 C VAL A 100 -12.057 -5.935 7.695 1.00 1.42 C ATOM 1529 O VAL A 100 -11.524 -5.272 8.585 1.00 51.12 O ATOM 1530 CB VAL A 100 -11.194 -6.418 5.403 1.00 5.40 C ATOM 1531 CG1 VAL A 100 -11.247 -6.028 3.934 1.00 0.21 C ATOM 1532 CG2 VAL A 100 -9.759 -6.441 5.907 1.00 60.20 C ATOM 0 H VAL A 100 -10.662 -3.992 5.663 1.00 2.33 H new ATOM 0 HA VAL A 100 -13.067 -5.446 5.864 1.00 14.22 H new ATOM 0 HB VAL A 100 -11.605 -7.423 5.502 1.00 5.40 H new ATOM 0 HG11 VAL A 100 -10.639 -6.721 3.352 1.00 0.21 H new ATOM 0 HG12 VAL A 100 -12.279 -6.068 3.584 1.00 0.21 H new ATOM 0 HG13 VAL A 100 -10.861 -5.016 3.812 1.00 0.21 H new ATOM 0 HG21 VAL A 100 -9.171 -7.128 5.299 1.00 60.20 H new ATOM 0 HG22 VAL A 100 -9.333 -5.440 5.839 1.00 60.20 H new ATOM 0 HG23 VAL A 100 -9.743 -6.772 6.946 1.00 60.20 H new ATOM 1542 N SER A 101 -12.667 -7.094 7.923 1.00 12.15 N ATOM 1543 CA SER A 101 -12.750 -7.664 9.262 1.00 10.33 C ATOM 1544 C SER A 101 -11.424 -8.306 9.662 1.00 30.31 C ATOM 1545 O SER A 101 -10.967 -8.159 10.795 1.00 71.25 O ATOM 1546 CB SER A 101 -13.872 -8.700 9.329 1.00 72.24 C ATOM 1547 OG SER A 101 -15.142 -8.074 9.390 1.00 44.31 O ATOM 0 H SER A 101 -13.111 -7.656 7.197 1.00 12.15 H new ATOM 0 HA SER A 101 -12.969 -6.857 9.961 1.00 10.33 H new ATOM 0 HB2 SER A 101 -13.825 -9.349 8.454 1.00 72.24 H new ATOM 0 HB3 SER A 101 -13.733 -9.334 10.204 1.00 72.24 H new ATOM 0 HG SER A 101 -15.842 -8.758 9.430 1.00 44.31 H new ATOM 1553 N THR A 102 -10.812 -9.019 8.721 1.00 12.40 N ATOM 1554 CA THR A 102 -9.541 -9.685 8.974 1.00 11.45 C ATOM 1555 C THR A 102 -8.665 -9.690 7.726 1.00 51.43 C ATOM 1556 O THR A 102 -9.166 -9.617 6.604 1.00 53.42 O ATOM 1557 CB THR A 102 -9.751 -11.137 9.445 1.00 43.21 C ATOM 1558 OG1 THR A 102 -10.165 -11.953 8.345 1.00 33.34 O ATOM 1559 CG2 THR A 102 -10.792 -11.200 10.551 1.00 64.42 C ATOM 0 H THR A 102 -11.176 -9.150 7.777 1.00 12.40 H new ATOM 0 HA THR A 102 -9.042 -9.123 9.763 1.00 11.45 H new ATOM 0 HB THR A 102 -8.805 -11.510 9.837 1.00 43.21 H new ATOM 0 HG1 THR A 102 -10.295 -12.875 8.652 1.00 33.34 H new ATOM 0 HG21 THR A 102 -10.924 -12.235 10.868 1.00 64.42 H new ATOM 0 HG22 THR A 102 -10.459 -10.600 11.398 1.00 64.42 H new ATOM 0 HG23 THR A 102 -11.740 -10.810 10.181 1.00 64.42 H new ATOM 1567 N ALA A 103 -7.354 -9.776 7.929 1.00 65.11 N ATOM 1568 CA ALA A 103 -6.409 -9.793 6.819 1.00 43.44 C ATOM 1569 C ALA A 103 -6.781 -10.861 5.797 1.00 42.23 C ATOM 1570 O ALA A 103 -6.665 -10.646 4.591 1.00 55.04 O ATOM 1571 CB ALA A 103 -4.995 -10.023 7.335 1.00 3.03 C ATOM 0 H ALA A 103 -6.923 -9.835 8.851 1.00 65.11 H new ATOM 0 HA ALA A 103 -6.451 -8.823 6.323 1.00 43.44 H new ATOM 0 HB1 ALA A 103 -4.299 -10.034 6.496 1.00 3.03 H new ATOM 0 HB2 ALA A 103 -4.723 -9.221 8.022 1.00 3.03 H new ATOM 0 HB3 ALA A 103 -4.949 -10.979 7.857 1.00 3.03 H new ATOM 1577 N ALA A 104 -7.231 -12.012 6.288 1.00 34.24 N ATOM 1578 CA ALA A 104 -7.621 -13.113 5.416 1.00 62.31 C ATOM 1579 C ALA A 104 -8.816 -12.729 4.548 1.00 54.55 C ATOM 1580 O ALA A 104 -8.809 -12.944 3.337 1.00 52.21 O ATOM 1581 CB ALA A 104 -7.942 -14.350 6.241 1.00 33.53 C ATOM 0 H ALA A 104 -7.334 -12.206 7.284 1.00 34.24 H new ATOM 0 HA ALA A 104 -6.783 -13.337 4.756 1.00 62.31 H new ATOM 0 HB1 ALA A 104 -8.232 -15.165 5.577 1.00 33.53 H new ATOM 0 HB2 ALA A 104 -7.062 -14.644 6.814 1.00 33.53 H new ATOM 0 HB3 ALA A 104 -8.762 -14.129 6.924 1.00 33.53 H new ATOM 1587 N ALA A 105 -9.839 -12.160 5.177 1.00 15.34 N ATOM 1588 CA ALA A 105 -11.039 -11.746 4.463 1.00 4.15 C ATOM 1589 C ALA A 105 -10.694 -10.817 3.302 1.00 72.44 C ATOM 1590 O ALA A 105 -11.278 -10.914 2.223 1.00 63.54 O ATOM 1591 CB ALA A 105 -12.012 -11.064 5.414 1.00 11.45 C ATOM 0 H ALA A 105 -9.860 -11.975 6.180 1.00 15.34 H new ATOM 0 HA ALA A 105 -11.513 -12.638 4.054 1.00 4.15 H new ATOM 0 HB1 ALA A 105 -12.904 -10.760 4.866 1.00 11.45 H new ATOM 0 HB2 ALA A 105 -12.292 -11.757 6.207 1.00 11.45 H new ATOM 0 HB3 ALA A 105 -11.538 -10.185 5.851 1.00 11.45 H new ATOM 1597 N ALA A 106 -9.742 -9.920 3.531 1.00 44.41 N ATOM 1598 CA ALA A 106 -9.319 -8.977 2.504 1.00 11.53 C ATOM 1599 C ALA A 106 -8.704 -9.701 1.313 1.00 35.53 C ATOM 1600 O ALA A 106 -9.104 -9.486 0.169 1.00 64.53 O ATOM 1601 CB ALA A 106 -8.330 -7.974 3.082 1.00 72.33 C ATOM 0 H ALA A 106 -9.249 -9.826 4.419 1.00 44.41 H new ATOM 0 HA ALA A 106 -10.201 -8.441 2.154 1.00 11.53 H new ATOM 0 HB1 ALA A 106 -8.023 -7.276 2.303 1.00 72.33 H new ATOM 0 HB2 ALA A 106 -8.803 -7.425 3.896 1.00 72.33 H new ATOM 0 HB3 ALA A 106 -7.455 -8.503 3.461 1.00 72.33 H new ATOM 1607 N GLU A 107 -7.727 -10.561 1.588 1.00 21.41 N ATOM 1608 CA GLU A 107 -7.056 -11.316 0.536 1.00 52.44 C ATOM 1609 C GLU A 107 -8.067 -12.074 -0.320 1.00 62.25 C ATOM 1610 O GLU A 107 -7.871 -12.251 -1.521 1.00 13.42 O ATOM 1611 CB GLU A 107 -6.050 -12.296 1.144 1.00 71.24 C ATOM 1612 CG GLU A 107 -5.465 -13.271 0.137 1.00 41.24 C ATOM 1613 CD GLU A 107 -4.205 -13.948 0.643 1.00 24.10 C ATOM 1614 OE1 GLU A 107 -4.105 -14.173 1.867 1.00 62.34 O ATOM 1615 OE2 GLU A 107 -3.321 -14.250 -0.183 1.00 14.54 O ATOM 0 H GLU A 107 -7.383 -10.752 2.529 1.00 21.41 H new ATOM 0 HA GLU A 107 -6.525 -10.609 -0.101 1.00 52.44 H new ATOM 0 HB2 GLU A 107 -5.239 -11.732 1.604 1.00 71.24 H new ATOM 0 HB3 GLU A 107 -6.539 -12.858 1.940 1.00 71.24 H new ATOM 0 HG2 GLU A 107 -6.210 -14.030 -0.103 1.00 41.24 H new ATOM 0 HG3 GLU A 107 -5.241 -12.741 -0.789 1.00 41.24 H new ATOM 1622 N ASN A 108 -9.150 -12.520 0.310 1.00 3.02 N ATOM 1623 CA ASN A 108 -10.192 -13.259 -0.393 1.00 40.30 C ATOM 1624 C ASN A 108 -10.987 -12.337 -1.313 1.00 35.12 C ATOM 1625 O ASN A 108 -11.353 -12.719 -2.424 1.00 30.44 O ATOM 1626 CB ASN A 108 -11.133 -13.933 0.608 1.00 12.52 C ATOM 1627 CG ASN A 108 -11.225 -15.431 0.396 1.00 45.03 C ATOM 1628 OD1 ASN A 108 -11.647 -15.894 -0.665 1.00 55.42 O ATOM 1629 ND2 ASN A 108 -10.832 -16.197 1.407 1.00 61.40 N ATOM 0 H ASN A 108 -9.328 -12.382 1.305 1.00 3.02 H new ATOM 0 HA ASN A 108 -9.711 -14.025 -1.002 1.00 40.30 H new ATOM 0 HB2 ASN A 108 -10.785 -13.733 1.621 1.00 12.52 H new ATOM 0 HB3 ASN A 108 -12.127 -13.495 0.520 1.00 12.52 H new ATOM 0 HD21 ASN A 108 -10.873 -17.213 1.323 1.00 61.40 H new ATOM 0 HD22 ASN A 108 -10.489 -15.770 2.267 1.00 61.40 H new ATOM 1636 N MET A 109 -11.249 -11.123 -0.842 1.00 41.41 N ATOM 1637 CA MET A 109 -11.999 -10.146 -1.623 1.00 22.31 C ATOM 1638 C MET A 109 -11.229 -9.748 -2.879 1.00 12.11 C ATOM 1639 O MET A 109 -11.807 -9.623 -3.959 1.00 13.44 O ATOM 1640 CB MET A 109 -12.297 -8.906 -0.779 1.00 50.11 C ATOM 1641 CG MET A 109 -13.740 -8.440 -0.872 1.00 23.30 C ATOM 1642 SD MET A 109 -14.352 -7.757 0.681 1.00 71.54 S ATOM 1643 CE MET A 109 -15.441 -9.072 1.223 1.00 1.21 C ATOM 0 H MET A 109 -10.953 -10.792 0.076 1.00 41.41 H new ATOM 0 HA MET A 109 -12.940 -10.605 -1.925 1.00 22.31 H new ATOM 0 HB2 MET A 109 -12.059 -9.120 0.263 1.00 50.11 H new ATOM 0 HB3 MET A 109 -11.641 -8.095 -1.095 1.00 50.11 H new ATOM 0 HG2 MET A 109 -13.824 -7.686 -1.654 1.00 23.30 H new ATOM 0 HG3 MET A 109 -14.370 -9.279 -1.169 1.00 23.30 H new ATOM 0 HE1 MET A 109 -15.897 -8.798 2.174 1.00 1.21 H new ATOM 0 HE2 MET A 109 -16.221 -9.228 0.478 1.00 1.21 H new ATOM 0 HE3 MET A 109 -14.868 -9.991 1.347 1.00 1.21 H new ATOM 1653 N TYR A 110 -9.924 -9.550 -2.729 1.00 23.01 N ATOM 1654 CA TYR A 110 -9.076 -9.163 -3.850 1.00 4.24 C ATOM 1655 C TYR A 110 -9.030 -10.265 -4.903 1.00 30.45 C ATOM 1656 O TYR A 110 -9.254 -10.017 -6.088 1.00 32.41 O ATOM 1657 CB TYR A 110 -7.662 -8.848 -3.362 1.00 14.32 C ATOM 1658 CG TYR A 110 -7.165 -7.484 -3.783 1.00 2.24 C ATOM 1659 CD1 TYR A 110 -5.933 -7.334 -4.408 1.00 41.11 C ATOM 1660 CD2 TYR A 110 -7.928 -6.344 -3.557 1.00 55.31 C ATOM 1661 CE1 TYR A 110 -5.475 -6.089 -4.794 1.00 13.24 C ATOM 1662 CE2 TYR A 110 -7.478 -5.096 -3.940 1.00 34.45 C ATOM 1663 CZ TYR A 110 -6.251 -4.973 -4.559 1.00 32.42 C ATOM 1664 OH TYR A 110 -5.799 -3.732 -4.942 1.00 12.55 O ATOM 0 H TYR A 110 -9.431 -9.651 -1.842 1.00 23.01 H new ATOM 0 HA TYR A 110 -9.503 -8.269 -4.305 1.00 4.24 H new ATOM 0 HB2 TYR A 110 -7.639 -8.914 -2.274 1.00 14.32 H new ATOM 0 HB3 TYR A 110 -6.978 -9.607 -3.742 1.00 14.32 H new ATOM 0 HD1 TYR A 110 -5.323 -8.205 -4.595 1.00 41.11 H new ATOM 0 HD2 TYR A 110 -8.889 -6.436 -3.074 1.00 55.31 H new ATOM 0 HE1 TYR A 110 -4.514 -5.990 -5.277 1.00 13.24 H new ATOM 0 HE2 TYR A 110 -8.083 -4.221 -3.756 1.00 34.45 H new ATOM 0 HH TYR A 110 -6.094 -3.544 -5.857 1.00 12.55 H new ATOM 1674 N SER A 111 -8.737 -11.484 -4.462 1.00 31.05 N ATOM 1675 CA SER A 111 -8.657 -12.625 -5.366 1.00 32.41 C ATOM 1676 C SER A 111 -10.019 -12.925 -5.985 1.00 14.21 C ATOM 1677 O SER A 111 -10.131 -13.134 -7.194 1.00 54.54 O ATOM 1678 CB SER A 111 -8.141 -13.858 -4.621 1.00 54.30 C ATOM 1679 OG SER A 111 -8.276 -15.026 -5.412 1.00 62.43 O ATOM 0 H SER A 111 -8.551 -11.707 -3.484 1.00 31.05 H new ATOM 0 HA SER A 111 -7.961 -12.374 -6.166 1.00 32.41 H new ATOM 0 HB2 SER A 111 -7.094 -13.714 -4.355 1.00 54.30 H new ATOM 0 HB3 SER A 111 -8.692 -13.981 -3.689 1.00 54.30 H new ATOM 0 HG SER A 111 -7.938 -15.799 -4.914 1.00 62.43 H new ATOM 1685 N GLN A 112 -11.051 -12.944 -5.148 1.00 41.22 N ATOM 1686 CA GLN A 112 -12.405 -13.218 -5.612 1.00 24.02 C ATOM 1687 C GLN A 112 -12.889 -12.123 -6.558 1.00 42.43 C ATOM 1688 O GLN A 112 -13.700 -12.373 -7.450 1.00 53.44 O ATOM 1689 CB GLN A 112 -13.360 -13.340 -4.423 1.00 71.13 C ATOM 1690 CG GLN A 112 -14.800 -13.615 -4.825 1.00 42.53 C ATOM 1691 CD GLN A 112 -15.595 -14.288 -3.723 1.00 71.21 C ATOM 1692 OE1 GLN A 112 -15.565 -15.511 -3.579 1.00 64.41 O ATOM 1693 NE2 GLN A 112 -16.310 -13.492 -2.937 1.00 25.11 N ATOM 0 H GLN A 112 -10.975 -12.773 -4.145 1.00 41.22 H new ATOM 0 HA GLN A 112 -12.391 -14.163 -6.156 1.00 24.02 H new ATOM 0 HB2 GLN A 112 -13.014 -14.142 -3.771 1.00 71.13 H new ATOM 0 HB3 GLN A 112 -13.323 -12.418 -3.842 1.00 71.13 H new ATOM 0 HG2 GLN A 112 -15.283 -12.676 -5.095 1.00 42.53 H new ATOM 0 HG3 GLN A 112 -14.811 -14.246 -5.713 1.00 42.53 H new ATOM 0 HE21 GLN A 112 -16.306 -12.484 -3.092 1.00 25.11 H new ATOM 0 HE22 GLN A 112 -16.864 -13.889 -2.178 1.00 25.11 H new ATOM 1702 N MET A 113 -12.387 -10.909 -6.355 1.00 24.53 N ATOM 1703 CA MET A 113 -12.768 -9.776 -7.191 1.00 51.54 C ATOM 1704 C MET A 113 -12.237 -9.945 -8.611 1.00 11.33 C ATOM 1705 O MET A 113 -12.768 -9.363 -9.556 1.00 60.21 O ATOM 1706 CB MET A 113 -12.242 -8.472 -6.588 1.00 23.44 C ATOM 1707 CG MET A 113 -13.241 -7.778 -5.677 1.00 21.10 C ATOM 1708 SD MET A 113 -12.471 -6.535 -4.622 1.00 10.32 S ATOM 1709 CE MET A 113 -13.651 -5.195 -4.761 1.00 44.42 C ATOM 0 H MET A 113 -11.716 -10.685 -5.620 1.00 24.53 H new ATOM 0 HA MET A 113 -13.856 -9.736 -7.233 1.00 51.54 H new ATOM 0 HB2 MET A 113 -11.333 -8.683 -6.024 1.00 23.44 H new ATOM 0 HB3 MET A 113 -11.966 -7.793 -7.395 1.00 23.44 H new ATOM 0 HG2 MET A 113 -14.013 -7.306 -6.284 1.00 21.10 H new ATOM 0 HG3 MET A 113 -13.736 -8.522 -5.053 1.00 21.10 H new ATOM 0 HE1 MET A 113 -13.314 -4.349 -4.162 1.00 44.42 H new ATOM 0 HE2 MET A 113 -13.734 -4.890 -5.804 1.00 44.42 H new ATOM 0 HE3 MET A 113 -14.625 -5.529 -4.402 1.00 44.42 H new