USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 955 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 84 HIS : no HD1:sc= -0.132 X(o=-0.38,f=-0.29) USER MOD Set 1.2: A 85 SER OG : rot -130:sc= -0.249 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -173:sc= -0.461 (180deg=-0.487) USER MOD Set 2.2: A 47 THR OG1 : rot 5:sc= 0.829 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 123 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.97) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0272 (180deg=-0.516) USER MOD Single : A 2 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00308 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -50:sc= -0.344 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -130:sc= 0.548 USER MOD Single : A 35 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.6) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -169:sc= 0.855 USER MOD Single : A 57 MET CE :methyl -131:sc= -0.825 (180deg=-3.93!) USER MOD Single : A 60 MET CE :methyl -168:sc= -1.61 (180deg=-1.85) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.59! K(o=-3.6!,f=-4.9) USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= -0.135 (180deg=-0.58) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-3.2) USER MOD Single : A 75 MET CE :methyl -152:sc= 0 (180deg=-0.0135) USER MOD Single : A 81 MET CE :methyl -125:sc= -2.58 (180deg=-6.29!) USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.129 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.3!) USER MOD Single : A 101 TYR OH : rot -106:sc= -0.358 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -76:sc= 0.27 USER MOD Single : A 121 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.0023) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.517 -1.154 0.095 1.00 24.54 N ATOM 2 CA MET A 1 -4.073 -1.096 0.296 1.00 73.23 C ATOM 3 C MET A 1 -3.496 0.194 -0.279 1.00 33.41 C ATOM 4 O MET A 1 -4.144 0.873 -1.075 1.00 34.33 O ATOM 5 CB MET A 1 -3.397 -2.305 -0.354 1.00 74.03 C ATOM 6 CG MET A 1 -3.751 -3.627 0.307 1.00 73.44 C ATOM 7 SD MET A 1 -3.651 -5.022 -0.832 1.00 52.32 S ATOM 8 CE MET A 1 -1.878 -5.260 -0.921 1.00 32.15 C ATOM 0 H1 MET A 1 -5.995 -1.183 1.018 1.00 24.54 H new ATOM 0 H2 MET A 1 -5.829 -0.312 -0.430 1.00 24.54 H new ATOM 0 H3 MET A 1 -5.758 -2.008 -0.447 1.00 24.54 H new ATOM 0 HA MET A 1 -3.879 -1.114 1.369 1.00 73.23 H new ATOM 0 HB2 MET A 1 -3.680 -2.347 -1.406 1.00 74.03 H new ATOM 0 HB3 MET A 1 -2.316 -2.169 -0.319 1.00 74.03 H new ATOM 0 HG2 MET A 1 -3.079 -3.800 1.147 1.00 73.44 H new ATOM 0 HG3 MET A 1 -4.760 -3.567 0.714 1.00 73.44 H new ATOM 0 HE1 MET A 1 -1.656 -6.091 -1.590 1.00 32.15 H new ATOM 0 HE2 MET A 1 -1.408 -4.353 -1.301 1.00 32.15 H new ATOM 0 HE3 MET A 1 -1.490 -5.481 0.073 1.00 32.15 H new ATOM 18 N GLN A 2 -2.276 0.524 0.130 1.00 3.50 N ATOM 19 CA GLN A 2 -1.613 1.734 -0.344 1.00 73.33 C ATOM 20 C GLN A 2 -2.387 2.979 0.076 1.00 31.11 C ATOM 21 O GLN A 2 -3.319 2.902 0.877 1.00 25.45 O ATOM 22 CB GLN A 2 -1.469 1.698 -1.867 1.00 14.03 C ATOM 23 CG GLN A 2 -0.095 2.122 -2.358 1.00 42.40 C ATOM 24 CD GLN A 2 0.835 0.946 -2.577 1.00 64.35 C ATOM 25 OE1 GLN A 2 0.479 -0.201 -2.306 1.00 70.31 O ATOM 26 NE2 GLN A 2 2.036 1.224 -3.072 1.00 1.05 N ATOM 0 H GLN A 2 -1.726 -0.028 0.788 1.00 3.50 H new ATOM 0 HA GLN A 2 -0.622 1.776 0.107 1.00 73.33 H new ATOM 0 HB2 GLN A 2 -1.676 0.687 -2.219 1.00 14.03 H new ATOM 0 HB3 GLN A 2 -2.221 2.350 -2.310 1.00 14.03 H new ATOM 0 HG2 GLN A 2 -0.202 2.675 -3.291 1.00 42.40 H new ATOM 0 HG3 GLN A 2 0.351 2.803 -1.633 1.00 42.40 H new ATOM 0 HE21 GLN A 2 2.290 2.189 -3.282 1.00 1.05 H new ATOM 0 HE22 GLN A 2 2.704 0.472 -3.242 1.00 1.05 H new ATOM 35 N ARG A 3 -1.995 4.126 -0.469 1.00 60.55 N ATOM 36 CA ARG A 3 -2.651 5.388 -0.150 1.00 21.44 C ATOM 37 C ARG A 3 -3.018 5.450 1.330 1.00 21.22 C ATOM 38 O ARG A 3 -4.101 5.908 1.693 1.00 25.21 O ATOM 39 CB ARG A 3 -3.906 5.566 -1.005 1.00 74.43 C ATOM 40 CG ARG A 3 -5.009 4.570 -0.684 1.00 22.23 C ATOM 41 CD ARG A 3 -6.385 5.150 -0.971 1.00 42.01 C ATOM 42 NE ARG A 3 -7.254 4.189 -1.645 1.00 41.44 N ATOM 43 CZ ARG A 3 -7.817 3.153 -1.035 1.00 14.15 C ATOM 44 NH1 ARG A 3 -7.604 2.945 0.257 1.00 33.24 N ATOM 45 NH2 ARG A 3 -8.596 2.323 -1.716 1.00 73.21 N ATOM 0 H ARG A 3 -1.226 4.207 -1.134 1.00 60.55 H new ATOM 0 HA ARG A 3 -1.954 6.197 -0.369 1.00 21.44 H new ATOM 0 HB2 ARG A 3 -4.289 6.577 -0.866 1.00 74.43 H new ATOM 0 HB3 ARG A 3 -3.636 5.469 -2.056 1.00 74.43 H new ATOM 0 HG2 ARG A 3 -4.865 3.664 -1.273 1.00 22.23 H new ATOM 0 HG3 ARG A 3 -4.946 4.282 0.365 1.00 22.23 H new ATOM 0 HD2 ARG A 3 -6.848 5.464 -0.036 1.00 42.01 H new ATOM 0 HD3 ARG A 3 -6.281 6.041 -1.590 1.00 42.01 H new ATOM 0 HE ARG A 3 -7.439 4.321 -2.639 1.00 41.44 H new ATOM 0 HH11 ARG A 3 -7.007 3.582 0.784 1.00 33.24 H new ATOM 0 HH12 ARG A 3 -8.038 2.148 0.724 1.00 33.24 H new ATOM 0 HH21 ARG A 3 -8.763 2.480 -2.710 1.00 73.21 H new ATOM 0 HH22 ARG A 3 -9.028 1.527 -1.246 1.00 73.21 H new ATOM 59 N GLY A 4 -2.108 4.985 2.181 1.00 64.23 N ATOM 60 CA GLY A 4 -2.354 4.996 3.611 1.00 74.13 C ATOM 61 C GLY A 4 -2.881 6.331 4.098 1.00 44.41 C ATOM 62 O GLY A 4 -2.546 7.378 3.542 1.00 72.13 O ATOM 0 H GLY A 4 -1.204 4.601 1.905 1.00 64.23 H new ATOM 0 HA2 GLY A 4 -3.071 4.213 3.859 1.00 74.13 H new ATOM 0 HA3 GLY A 4 -1.429 4.760 4.138 1.00 74.13 H new ATOM 66 N ILE A 5 -3.707 6.296 5.138 1.00 41.22 N ATOM 67 CA ILE A 5 -4.280 7.513 5.699 1.00 55.13 C ATOM 68 C ILE A 5 -3.215 8.351 6.397 1.00 15.55 C ATOM 69 O ILE A 5 -2.427 7.837 7.191 1.00 41.32 O ATOM 70 CB ILE A 5 -5.406 7.195 6.700 1.00 14.22 C ATOM 71 CG1 ILE A 5 -6.334 6.118 6.134 1.00 64.04 C ATOM 72 CG2 ILE A 5 -6.191 8.456 7.033 1.00 61.51 C ATOM 73 CD1 ILE A 5 -7.517 5.810 7.024 1.00 21.21 C ATOM 0 H ILE A 5 -3.994 5.438 5.609 1.00 41.22 H new ATOM 0 HA ILE A 5 -4.695 8.080 4.866 1.00 55.13 H new ATOM 0 HB ILE A 5 -4.958 6.816 7.618 1.00 14.22 H new ATOM 0 HG12 ILE A 5 -6.698 6.440 5.158 1.00 64.04 H new ATOM 0 HG13 ILE A 5 -5.762 5.204 5.975 1.00 64.04 H new ATOM 0 HG21 ILE A 5 -6.983 8.215 7.742 1.00 61.51 H new ATOM 0 HG22 ILE A 5 -5.522 9.195 7.474 1.00 61.51 H new ATOM 0 HG23 ILE A 5 -6.630 8.862 6.122 1.00 61.51 H new ATOM 0 HD11 ILE A 5 -8.131 5.038 6.559 1.00 21.21 H new ATOM 0 HD12 ILE A 5 -7.162 5.457 7.992 1.00 21.21 H new ATOM 0 HD13 ILE A 5 -8.113 6.712 7.163 1.00 21.21 H new ATOM 85 N VAL A 6 -3.199 9.647 6.099 1.00 74.43 N ATOM 86 CA VAL A 6 -2.233 10.558 6.700 1.00 13.03 C ATOM 87 C VAL A 6 -2.926 11.584 7.591 1.00 62.43 C ATOM 88 O VAL A 6 -3.527 12.540 7.101 1.00 5.24 O ATOM 89 CB VAL A 6 -1.414 11.297 5.625 1.00 14.35 C ATOM 90 CG1 VAL A 6 -0.445 12.275 6.271 1.00 25.15 C ATOM 91 CG2 VAL A 6 -0.674 10.304 4.743 1.00 31.52 C ATOM 0 H VAL A 6 -3.845 10.089 5.445 1.00 74.43 H new ATOM 0 HA VAL A 6 -1.560 9.951 7.305 1.00 13.03 H new ATOM 0 HB VAL A 6 -2.100 11.865 4.996 1.00 14.35 H new ATOM 0 HG11 VAL A 6 0.125 12.788 5.496 1.00 25.15 H new ATOM 0 HG12 VAL A 6 -1.002 13.007 6.856 1.00 25.15 H new ATOM 0 HG13 VAL A 6 0.238 11.732 6.925 1.00 25.15 H new ATOM 0 HG21 VAL A 6 -0.101 10.844 3.989 1.00 31.52 H new ATOM 0 HG22 VAL A 6 0.002 9.707 5.355 1.00 31.52 H new ATOM 0 HG23 VAL A 6 -1.393 9.648 4.251 1.00 31.52 H new ATOM 101 N TRP A 7 -2.837 11.378 8.900 1.00 73.33 N ATOM 102 CA TRP A 7 -3.456 12.285 9.859 1.00 5.45 C ATOM 103 C TRP A 7 -2.418 13.223 10.468 1.00 35.11 C ATOM 104 O TRP A 7 -1.421 12.777 11.034 1.00 24.34 O ATOM 105 CB TRP A 7 -4.155 11.493 10.965 1.00 74.34 C ATOM 106 CG TRP A 7 -5.448 10.875 10.525 1.00 55.40 C ATOM 107 CD1 TRP A 7 -6.001 10.932 9.277 1.00 32.34 C ATOM 108 CD2 TRP A 7 -6.351 10.111 11.332 1.00 62.54 C ATOM 109 NE1 TRP A 7 -7.193 10.248 9.260 1.00 61.01 N ATOM 110 CE2 TRP A 7 -7.429 9.734 10.507 1.00 15.24 C ATOM 111 CE3 TRP A 7 -6.352 9.705 12.669 1.00 42.21 C ATOM 112 CZ2 TRP A 7 -8.496 8.974 10.979 1.00 13.01 C ATOM 113 CZ3 TRP A 7 -7.412 8.951 13.136 1.00 45.14 C ATOM 114 CH2 TRP A 7 -8.471 8.591 12.293 1.00 54.14 C ATOM 0 H TRP A 7 -2.343 10.592 9.321 1.00 73.33 H new ATOM 0 HA TRP A 7 -4.196 12.885 9.329 1.00 5.45 H new ATOM 0 HB2 TRP A 7 -3.487 10.708 11.318 1.00 74.34 H new ATOM 0 HB3 TRP A 7 -4.345 12.154 11.811 1.00 74.34 H new ATOM 0 HD1 TRP A 7 -5.566 11.440 8.429 1.00 32.34 H new ATOM 0 HE1 TRP A 7 -7.803 10.141 8.450 1.00 61.01 H new ATOM 0 HE3 TRP A 7 -5.539 9.976 13.326 1.00 42.21 H new ATOM 0 HZ2 TRP A 7 -9.314 8.696 10.331 1.00 13.01 H new ATOM 0 HZ3 TRP A 7 -7.424 8.634 14.168 1.00 45.14 H new ATOM 0 HH2 TRP A 7 -9.284 8.000 12.687 1.00 54.14 H new ATOM 125 N VAL A 8 -2.661 14.524 10.348 1.00 44.40 N ATOM 126 CA VAL A 8 -1.748 15.525 10.888 1.00 64.21 C ATOM 127 C VAL A 8 -2.495 16.554 11.729 1.00 22.41 C ATOM 128 O VAL A 8 -3.269 17.356 11.206 1.00 64.52 O ATOM 129 CB VAL A 8 -0.985 16.252 9.765 1.00 4.51 C ATOM 130 CG1 VAL A 8 0.148 17.087 10.343 1.00 23.10 C ATOM 131 CG2 VAL A 8 -0.456 15.254 8.747 1.00 73.34 C ATOM 0 H VAL A 8 -3.482 14.910 9.882 1.00 44.40 H new ATOM 0 HA VAL A 8 -1.034 14.995 11.518 1.00 64.21 H new ATOM 0 HB VAL A 8 -1.677 16.923 9.256 1.00 4.51 H new ATOM 0 HG11 VAL A 8 0.676 17.593 9.535 1.00 23.10 H new ATOM 0 HG12 VAL A 8 -0.260 17.828 11.030 1.00 23.10 H new ATOM 0 HG13 VAL A 8 0.841 16.439 10.879 1.00 23.10 H new ATOM 0 HG21 VAL A 8 0.080 15.786 7.961 1.00 73.34 H new ATOM 0 HG22 VAL A 8 0.221 14.556 9.240 1.00 73.34 H new ATOM 0 HG23 VAL A 8 -1.289 14.704 8.310 1.00 73.34 H new ATOM 141 N VAL A 9 -2.258 16.525 13.037 1.00 43.52 N ATOM 142 CA VAL A 9 -2.907 17.457 13.952 1.00 61.24 C ATOM 143 C VAL A 9 -1.955 18.573 14.366 1.00 12.31 C ATOM 144 O VAL A 9 -1.000 18.345 15.109 1.00 53.21 O ATOM 145 CB VAL A 9 -3.419 16.738 15.214 1.00 2.42 C ATOM 146 CG1 VAL A 9 -2.283 16.001 15.907 1.00 42.12 C ATOM 147 CG2 VAL A 9 -4.077 17.730 16.161 1.00 12.32 C ATOM 0 H VAL A 9 -1.622 15.867 13.486 1.00 43.52 H new ATOM 0 HA VAL A 9 -3.755 17.887 13.419 1.00 61.24 H new ATOM 0 HB VAL A 9 -4.167 16.004 14.915 1.00 2.42 H new ATOM 0 HG11 VAL A 9 -2.664 15.499 16.796 1.00 42.12 H new ATOM 0 HG12 VAL A 9 -1.860 15.262 15.226 1.00 42.12 H new ATOM 0 HG13 VAL A 9 -1.510 16.713 16.195 1.00 42.12 H new ATOM 0 HG21 VAL A 9 -4.433 17.205 17.048 1.00 12.32 H new ATOM 0 HG22 VAL A 9 -3.351 18.488 16.455 1.00 12.32 H new ATOM 0 HG23 VAL A 9 -4.919 18.208 15.660 1.00 12.32 H new ATOM 157 N ASP A 10 -2.222 19.781 13.882 1.00 55.04 N ATOM 158 CA ASP A 10 -1.391 20.935 14.203 1.00 63.01 C ATOM 159 C ASP A 10 -2.188 22.230 14.083 1.00 71.14 C ATOM 160 O ASP A 10 -3.232 22.270 13.431 1.00 31.54 O ATOM 161 CB ASP A 10 -0.172 20.985 13.280 1.00 23.44 C ATOM 162 CG ASP A 10 -0.556 21.106 11.819 1.00 73.51 C ATOM 163 OD1 ASP A 10 -0.734 20.057 11.163 1.00 15.52 O ATOM 164 OD2 ASP A 10 -0.680 22.248 11.331 1.00 2.20 O ATOM 0 H ASP A 10 -3.008 19.986 13.265 1.00 55.04 H new ATOM 0 HA ASP A 10 -1.053 20.832 15.234 1.00 63.01 H new ATOM 0 HB2 ASP A 10 0.456 21.831 13.559 1.00 23.44 H new ATOM 0 HB3 ASP A 10 0.425 20.084 13.422 1.00 23.44 H new ATOM 169 N ASP A 11 -1.690 23.286 14.715 1.00 2.35 N ATOM 170 CA ASP A 11 -2.356 24.583 14.680 1.00 45.33 C ATOM 171 C ASP A 11 -1.583 25.567 13.806 1.00 21.32 C ATOM 172 O ASP A 11 -0.839 26.408 14.310 1.00 12.43 O ATOM 173 CB ASP A 11 -2.502 25.145 16.095 1.00 64.32 C ATOM 174 CG ASP A 11 -1.175 25.232 16.823 1.00 23.40 C ATOM 175 OD1 ASP A 11 -0.553 24.173 17.051 1.00 51.01 O ATOM 176 OD2 ASP A 11 -0.758 26.358 17.166 1.00 53.22 O ATOM 0 H ASP A 11 -0.827 23.270 15.258 1.00 2.35 H new ATOM 0 HA ASP A 11 -3.348 24.443 14.250 1.00 45.33 H new ATOM 0 HB2 ASP A 11 -2.951 26.137 16.044 1.00 64.32 H new ATOM 0 HB3 ASP A 11 -3.185 24.515 16.665 1.00 64.32 H new ATOM 181 N ASP A 12 -1.763 25.454 12.495 1.00 75.40 N ATOM 182 CA ASP A 12 -1.083 26.333 11.551 1.00 74.42 C ATOM 183 C ASP A 12 -1.472 25.993 10.115 1.00 31.13 C ATOM 184 O ASP A 12 -1.055 24.969 9.575 1.00 70.34 O ATOM 185 CB ASP A 12 0.433 26.224 11.721 1.00 14.12 C ATOM 186 CG ASP A 12 1.044 27.491 12.286 1.00 11.13 C ATOM 187 OD1 ASP A 12 0.558 28.589 11.942 1.00 1.35 O ATOM 188 OD2 ASP A 12 2.008 27.385 13.073 1.00 35.41 O ATOM 0 H ASP A 12 -2.374 24.762 12.062 1.00 75.40 H new ATOM 0 HA ASP A 12 -1.391 27.357 11.759 1.00 74.42 H new ATOM 0 HB2 ASP A 12 0.663 25.388 12.381 1.00 14.12 H new ATOM 0 HB3 ASP A 12 0.889 26.003 10.756 1.00 14.12 H new ATOM 193 N SER A 13 -2.274 26.859 9.504 1.00 32.20 N ATOM 194 CA SER A 13 -2.723 26.648 8.133 1.00 54.12 C ATOM 195 C SER A 13 -1.535 26.551 7.181 1.00 52.02 C ATOM 196 O SER A 13 -1.637 25.971 6.100 1.00 74.11 O ATOM 197 CB SER A 13 -3.649 27.785 7.697 1.00 53.34 C ATOM 198 OG SER A 13 -4.902 27.704 8.354 1.00 21.32 O ATOM 0 H SER A 13 -2.626 27.713 9.937 1.00 32.20 H new ATOM 0 HA SER A 13 -3.272 25.707 8.097 1.00 54.12 H new ATOM 0 HB2 SER A 13 -3.181 28.744 7.918 1.00 53.34 H new ATOM 0 HB3 SER A 13 -3.797 27.744 6.618 1.00 53.34 H new ATOM 0 HG SER A 13 -5.474 28.443 8.059 1.00 21.32 H new ATOM 204 N SER A 14 -0.408 27.124 7.591 1.00 60.30 N ATOM 205 CA SER A 14 0.800 27.106 6.774 1.00 32.10 C ATOM 206 C SER A 14 1.340 25.686 6.634 1.00 72.13 C ATOM 207 O SER A 14 1.848 25.305 5.579 1.00 74.14 O ATOM 208 CB SER A 14 1.869 28.012 7.387 1.00 1.01 C ATOM 209 OG SER A 14 2.747 27.274 8.219 1.00 64.11 O ATOM 0 H SER A 14 -0.306 27.606 8.484 1.00 60.30 H new ATOM 0 HA SER A 14 0.544 27.478 5.782 1.00 32.10 H new ATOM 0 HB2 SER A 14 2.437 28.498 6.594 1.00 1.01 H new ATOM 0 HB3 SER A 14 1.392 28.802 7.967 1.00 1.01 H new ATOM 0 HG SER A 14 3.422 27.875 8.597 1.00 64.11 H new ATOM 215 N ILE A 15 1.226 24.908 7.705 1.00 43.01 N ATOM 216 CA ILE A 15 1.702 23.530 7.702 1.00 53.23 C ATOM 217 C ILE A 15 0.633 22.581 7.170 1.00 0.11 C ATOM 218 O ILE A 15 0.943 21.584 6.517 1.00 13.51 O ATOM 219 CB ILE A 15 2.120 23.076 9.112 1.00 21.35 C ATOM 220 CG1 ILE A 15 3.054 24.107 9.748 1.00 2.32 C ATOM 221 CG2 ILE A 15 2.791 21.712 9.052 1.00 22.42 C ATOM 222 CD1 ILE A 15 4.292 24.390 8.925 1.00 14.25 C ATOM 0 H ILE A 15 0.808 25.208 8.586 1.00 43.01 H new ATOM 0 HA ILE A 15 2.572 23.498 7.046 1.00 53.23 H new ATOM 0 HB ILE A 15 1.226 22.993 9.730 1.00 21.35 H new ATOM 0 HG12 ILE A 15 2.507 25.038 9.898 1.00 2.32 H new ATOM 0 HG13 ILE A 15 3.356 23.753 10.734 1.00 2.32 H new ATOM 0 HG21 ILE A 15 3.081 21.405 10.057 1.00 22.42 H new ATOM 0 HG22 ILE A 15 2.096 20.983 8.636 1.00 22.42 H new ATOM 0 HG23 ILE A 15 3.677 21.770 8.420 1.00 22.42 H new ATOM 0 HD11 ILE A 15 4.908 25.130 9.437 1.00 14.25 H new ATOM 0 HD12 ILE A 15 4.862 23.470 8.797 1.00 14.25 H new ATOM 0 HD13 ILE A 15 3.999 24.775 7.948 1.00 14.25 H new ATOM 234 N ARG A 16 -0.626 22.899 7.453 1.00 71.40 N ATOM 235 CA ARG A 16 -1.741 22.075 7.003 1.00 74.42 C ATOM 236 C ARG A 16 -1.953 22.220 5.499 1.00 44.33 C ATOM 237 O ARG A 16 -2.144 21.232 4.790 1.00 30.14 O ATOM 238 CB ARG A 16 -3.021 22.459 7.748 1.00 41.51 C ATOM 239 CG ARG A 16 -2.890 22.388 9.261 1.00 63.05 C ATOM 240 CD ARG A 16 -4.135 21.794 9.900 1.00 23.51 C ATOM 241 NE ARG A 16 -4.921 22.801 10.607 1.00 72.03 N ATOM 242 CZ ARG A 16 -6.207 22.652 10.907 1.00 25.04 C ATOM 243 NH1 ARG A 16 -6.847 21.542 10.565 1.00 5.42 N ATOM 244 NH2 ARG A 16 -6.854 23.614 11.552 1.00 31.03 N ATOM 0 H ARG A 16 -0.899 23.721 7.992 1.00 71.40 H new ATOM 0 HA ARG A 16 -1.500 21.034 7.220 1.00 74.42 H new ATOM 0 HB2 ARG A 16 -3.307 23.472 7.464 1.00 41.51 H new ATOM 0 HB3 ARG A 16 -3.828 21.799 7.430 1.00 41.51 H new ATOM 0 HG2 ARG A 16 -2.021 21.785 9.524 1.00 63.05 H new ATOM 0 HG3 ARG A 16 -2.717 23.388 9.660 1.00 63.05 H new ATOM 0 HD2 ARG A 16 -4.751 21.328 9.130 1.00 23.51 H new ATOM 0 HD3 ARG A 16 -3.845 21.007 10.596 1.00 23.51 H new ATOM 0 HE ARG A 16 -4.458 23.666 10.886 1.00 72.03 H new ATOM 0 HH11 ARG A 16 -6.352 20.800 10.070 1.00 5.42 H new ATOM 0 HH12 ARG A 16 -7.834 21.430 10.797 1.00 5.42 H new ATOM 0 HH21 ARG A 16 -6.364 24.468 11.818 1.00 31.03 H new ATOM 0 HH22 ARG A 16 -7.841 23.499 11.782 1.00 31.03 H new ATOM 258 N TRP A 17 -1.917 23.458 5.019 1.00 50.10 N ATOM 259 CA TRP A 17 -2.105 23.733 3.599 1.00 72.01 C ATOM 260 C TRP A 17 -1.117 22.936 2.755 1.00 73.34 C ATOM 261 O TRP A 17 -1.514 22.120 1.922 1.00 21.02 O ATOM 262 CB TRP A 17 -1.941 25.228 3.322 1.00 53.32 C ATOM 263 CG TRP A 17 -1.701 25.542 1.876 1.00 74.41 C ATOM 264 CD1 TRP A 17 -2.612 25.474 0.861 1.00 53.34 C ATOM 265 CD2 TRP A 17 -0.470 25.969 1.285 1.00 44.43 C ATOM 266 NE1 TRP A 17 -2.021 25.835 -0.326 1.00 61.52 N ATOM 267 CE2 TRP A 17 -0.707 26.144 -0.093 1.00 30.42 C ATOM 268 CE3 TRP A 17 0.810 26.224 1.785 1.00 0.30 C ATOM 269 CZ2 TRP A 17 0.289 26.559 -0.973 1.00 13.43 C ATOM 270 CZ3 TRP A 17 1.797 26.637 0.910 1.00 23.54 C ATOM 271 CH2 TRP A 17 1.532 26.802 -0.456 1.00 23.44 C ATOM 0 H TRP A 17 -1.759 24.287 5.592 1.00 50.10 H new ATOM 0 HA TRP A 17 -3.116 23.429 3.326 1.00 72.01 H new ATOM 0 HB2 TRP A 17 -2.836 25.752 3.656 1.00 53.32 H new ATOM 0 HB3 TRP A 17 -1.108 25.610 3.912 1.00 53.32 H new ATOM 0 HD1 TRP A 17 -3.645 25.180 0.974 1.00 53.34 H new ATOM 0 HE1 TRP A 17 -2.486 25.868 -1.233 1.00 61.52 H new ATOM 0 HE3 TRP A 17 1.024 26.101 2.836 1.00 0.30 H new ATOM 0 HZ2 TRP A 17 0.087 26.685 -2.027 1.00 13.43 H new ATOM 0 HZ3 TRP A 17 2.790 26.836 1.286 1.00 23.54 H new ATOM 0 HH2 TRP A 17 2.325 27.127 -1.114 1.00 23.44 H new ATOM 282 N VAL A 18 0.172 23.176 2.974 1.00 15.22 N ATOM 283 CA VAL A 18 1.216 22.479 2.234 1.00 43.11 C ATOM 284 C VAL A 18 0.968 20.975 2.217 1.00 54.00 C ATOM 285 O VAL A 18 1.080 20.328 1.175 1.00 23.41 O ATOM 286 CB VAL A 18 2.608 22.751 2.836 1.00 53.53 C ATOM 287 CG1 VAL A 18 3.088 24.146 2.462 1.00 34.22 C ATOM 288 CG2 VAL A 18 2.578 22.576 4.346 1.00 20.24 C ATOM 0 H VAL A 18 0.518 23.848 3.659 1.00 15.22 H new ATOM 0 HA VAL A 18 1.188 22.861 1.213 1.00 43.11 H new ATOM 0 HB VAL A 18 3.311 22.028 2.423 1.00 53.53 H new ATOM 0 HG11 VAL A 18 4.073 24.320 2.896 1.00 34.22 H new ATOM 0 HG12 VAL A 18 3.149 24.231 1.377 1.00 34.22 H new ATOM 0 HG13 VAL A 18 2.386 24.887 2.845 1.00 34.22 H new ATOM 0 HG21 VAL A 18 3.569 22.772 4.755 1.00 20.24 H new ATOM 0 HG22 VAL A 18 1.862 23.275 4.779 1.00 20.24 H new ATOM 0 HG23 VAL A 18 2.281 21.556 4.588 1.00 20.24 H new ATOM 298 N LEU A 19 0.628 20.424 3.377 1.00 4.12 N ATOM 299 CA LEU A 19 0.362 18.995 3.497 1.00 64.33 C ATOM 300 C LEU A 19 -0.640 18.537 2.442 1.00 15.44 C ATOM 301 O LEU A 19 -0.350 17.652 1.639 1.00 44.22 O ATOM 302 CB LEU A 19 -0.166 18.669 4.895 1.00 51.52 C ATOM 303 CG LEU A 19 0.880 18.243 5.925 1.00 10.45 C ATOM 304 CD1 LEU A 19 0.229 18.000 7.278 1.00 14.20 C ATOM 305 CD2 LEU A 19 1.616 16.998 5.454 1.00 23.34 C ATOM 0 H LEU A 19 0.530 20.945 4.248 1.00 4.12 H new ATOM 0 HA LEU A 19 1.299 18.462 3.337 1.00 64.33 H new ATOM 0 HB2 LEU A 19 -0.688 19.546 5.278 1.00 51.52 H new ATOM 0 HB3 LEU A 19 -0.905 17.872 4.806 1.00 51.52 H new ATOM 0 HG LEU A 19 1.605 19.050 6.033 1.00 10.45 H new ATOM 0 HD11 LEU A 19 0.989 17.698 7.998 1.00 14.20 H new ATOM 0 HD12 LEU A 19 -0.251 18.917 7.621 1.00 14.20 H new ATOM 0 HD13 LEU A 19 -0.518 17.211 7.186 1.00 14.20 H new ATOM 0 HD21 LEU A 19 2.357 16.709 6.200 1.00 23.34 H new ATOM 0 HD22 LEU A 19 0.904 16.185 5.316 1.00 23.34 H new ATOM 0 HD23 LEU A 19 2.116 17.207 4.508 1.00 23.34 H new ATOM 317 N GLU A 20 -1.821 19.149 2.451 1.00 21.21 N ATOM 318 CA GLU A 20 -2.866 18.805 1.494 1.00 21.41 C ATOM 319 C GLU A 20 -2.334 18.860 0.065 1.00 73.22 C ATOM 320 O GLU A 20 -2.587 17.961 -0.738 1.00 14.40 O ATOM 321 CB GLU A 20 -4.058 19.752 1.644 1.00 43.53 C ATOM 322 CG GLU A 20 -5.259 19.357 0.802 1.00 35.44 C ATOM 323 CD GLU A 20 -6.499 20.161 1.141 1.00 13.24 C ATOM 324 OE1 GLU A 20 -6.359 21.236 1.761 1.00 22.02 O ATOM 325 OE2 GLU A 20 -7.611 19.715 0.786 1.00 5.32 O ATOM 0 H GLU A 20 -2.077 19.884 3.110 1.00 21.21 H new ATOM 0 HA GLU A 20 -3.193 17.786 1.702 1.00 21.41 H new ATOM 0 HB2 GLU A 20 -4.355 19.785 2.692 1.00 43.53 H new ATOM 0 HB3 GLU A 20 -3.747 20.760 1.368 1.00 43.53 H new ATOM 0 HG2 GLU A 20 -5.019 19.493 -0.253 1.00 35.44 H new ATOM 0 HG3 GLU A 20 -5.467 18.297 0.947 1.00 35.44 H new ATOM 332 N ARG A 21 -1.597 19.921 -0.245 1.00 42.03 N ATOM 333 CA ARG A 21 -1.031 20.095 -1.578 1.00 2.14 C ATOM 334 C ARG A 21 -0.087 18.947 -1.922 1.00 31.52 C ATOM 335 O ARG A 21 0.156 18.660 -3.094 1.00 31.35 O ATOM 336 CB ARG A 21 -0.284 21.427 -1.668 1.00 10.25 C ATOM 337 CG ARG A 21 -1.179 22.605 -2.018 1.00 60.32 C ATOM 338 CD ARG A 21 -0.686 23.328 -3.262 1.00 11.13 C ATOM 339 NE ARG A 21 -1.418 24.569 -3.499 1.00 55.04 N ATOM 340 CZ ARG A 21 -2.679 24.610 -3.917 1.00 1.02 C ATOM 341 NH1 ARG A 21 -3.343 23.485 -4.141 1.00 35.12 N ATOM 342 NH2 ARG A 21 -3.277 25.778 -4.110 1.00 53.53 N ATOM 0 H ARG A 21 -1.378 20.673 0.408 1.00 42.03 H new ATOM 0 HA ARG A 21 -1.851 20.096 -2.296 1.00 2.14 H new ATOM 0 HB2 ARG A 21 0.206 21.624 -0.714 1.00 10.25 H new ATOM 0 HB3 ARG A 21 0.502 21.343 -2.419 1.00 10.25 H new ATOM 0 HG2 ARG A 21 -2.198 22.254 -2.180 1.00 60.32 H new ATOM 0 HG3 ARG A 21 -1.211 23.301 -1.180 1.00 60.32 H new ATOM 0 HD2 ARG A 21 0.376 23.548 -3.156 1.00 11.13 H new ATOM 0 HD3 ARG A 21 -0.792 22.674 -4.127 1.00 11.13 H new ATOM 0 HE ARG A 21 -0.935 25.452 -3.335 1.00 55.04 H new ATOM 0 HH11 ARG A 21 -2.886 22.585 -3.993 1.00 35.12 H new ATOM 0 HH12 ARG A 21 -4.311 23.519 -4.462 1.00 35.12 H new ATOM 0 HH21 ARG A 21 -2.769 26.646 -3.938 1.00 53.53 H new ATOM 0 HH22 ARG A 21 -4.245 25.809 -4.431 1.00 53.53 H new ATOM 356 N ALA A 22 0.442 18.293 -0.892 1.00 52.33 N ATOM 357 CA ALA A 22 1.357 17.176 -1.086 1.00 22.44 C ATOM 358 C ALA A 22 0.597 15.860 -1.217 1.00 4.05 C ATOM 359 O ALA A 22 0.740 15.145 -2.209 1.00 61.12 O ATOM 360 CB ALA A 22 2.350 17.102 0.065 1.00 62.41 C ATOM 0 H ALA A 22 0.252 18.518 0.085 1.00 52.33 H new ATOM 0 HA ALA A 22 1.904 17.343 -2.014 1.00 22.44 H new ATOM 0 HB1 ALA A 22 3.028 16.263 -0.093 1.00 62.41 H new ATOM 0 HB2 ALA A 22 2.923 18.028 0.111 1.00 62.41 H new ATOM 0 HB3 ALA A 22 1.811 16.962 1.002 1.00 62.41 H new ATOM 366 N LEU A 23 -0.210 15.546 -0.209 1.00 64.32 N ATOM 367 CA LEU A 23 -0.992 14.315 -0.211 1.00 72.55 C ATOM 368 C LEU A 23 -1.987 14.304 -1.368 1.00 20.23 C ATOM 369 O LEU A 23 -1.959 13.412 -2.215 1.00 41.13 O ATOM 370 CB LEU A 23 -1.735 14.157 1.117 1.00 63.44 C ATOM 371 CG LEU A 23 -0.931 14.477 2.377 1.00 23.22 C ATOM 372 CD1 LEU A 23 -1.782 14.268 3.620 1.00 25.13 C ATOM 373 CD2 LEU A 23 0.327 13.622 2.439 1.00 13.04 C ATOM 0 H LEU A 23 -0.340 16.127 0.619 1.00 64.32 H new ATOM 0 HA LEU A 23 -0.306 13.478 -0.338 1.00 72.55 H new ATOM 0 HB2 LEU A 23 -2.614 14.801 1.098 1.00 63.44 H new ATOM 0 HB3 LEU A 23 -2.094 13.130 1.190 1.00 63.44 H new ATOM 0 HG LEU A 23 -0.632 15.525 2.338 1.00 23.22 H new ATOM 0 HD11 LEU A 23 -1.193 14.501 4.507 1.00 25.13 H new ATOM 0 HD12 LEU A 23 -2.652 14.923 3.580 1.00 25.13 H new ATOM 0 HD13 LEU A 23 -2.112 13.230 3.665 1.00 25.13 H new ATOM 0 HD21 LEU A 23 0.887 13.863 3.343 1.00 13.04 H new ATOM 0 HD22 LEU A 23 0.050 12.568 2.454 1.00 13.04 H new ATOM 0 HD23 LEU A 23 0.946 13.822 1.564 1.00 13.04 H new ATOM 385 N ALA A 24 -2.864 15.302 -1.396 1.00 61.03 N ATOM 386 CA ALA A 24 -3.865 15.410 -2.451 1.00 24.33 C ATOM 387 C ALA A 24 -3.214 15.385 -3.830 1.00 20.04 C ATOM 388 O ALA A 24 -3.840 14.998 -4.815 1.00 70.33 O ATOM 389 CB ALA A 24 -4.683 16.680 -2.274 1.00 1.22 C ATOM 0 H ALA A 24 -2.902 16.047 -0.701 1.00 61.03 H new ATOM 0 HA ALA A 24 -4.530 14.550 -2.377 1.00 24.33 H new ATOM 0 HB1 ALA A 24 -5.426 16.748 -3.068 1.00 1.22 H new ATOM 0 HB2 ALA A 24 -5.186 16.657 -1.307 1.00 1.22 H new ATOM 0 HB3 ALA A 24 -4.024 17.547 -2.319 1.00 1.22 H new ATOM 395 N GLY A 25 -1.953 15.802 -3.892 1.00 22.13 N ATOM 396 CA GLY A 25 -1.239 15.820 -5.155 1.00 1.20 C ATOM 397 C GLY A 25 -0.589 14.488 -5.473 1.00 3.32 C ATOM 398 O GLY A 25 -0.393 14.148 -6.639 1.00 52.12 O ATOM 0 H GLY A 25 -1.413 16.128 -3.090 1.00 22.13 H new ATOM 0 HA2 GLY A 25 -1.930 16.084 -5.956 1.00 1.20 H new ATOM 0 HA3 GLY A 25 -0.474 16.596 -5.125 1.00 1.20 H new ATOM 402 N ALA A 26 -0.251 13.733 -4.433 1.00 11.24 N ATOM 403 CA ALA A 26 0.381 12.431 -4.607 1.00 13.23 C ATOM 404 C ALA A 26 -0.659 11.316 -4.639 1.00 12.32 C ATOM 405 O ALA A 26 -0.345 10.171 -4.959 1.00 35.43 O ATOM 406 CB ALA A 26 1.391 12.182 -3.496 1.00 74.14 C ATOM 0 H ALA A 26 -0.404 14.001 -3.461 1.00 11.24 H new ATOM 0 HA ALA A 26 0.903 12.433 -5.564 1.00 13.23 H new ATOM 0 HB1 ALA A 26 1.855 11.206 -3.638 1.00 74.14 H new ATOM 0 HB2 ALA A 26 2.158 12.956 -3.521 1.00 74.14 H new ATOM 0 HB3 ALA A 26 0.884 12.205 -2.531 1.00 74.14 H new ATOM 412 N GLY A 27 -1.899 11.660 -4.304 1.00 74.02 N ATOM 413 CA GLY A 27 -2.966 10.676 -4.300 1.00 53.25 C ATOM 414 C GLY A 27 -3.324 10.215 -2.902 1.00 34.42 C ATOM 415 O GLY A 27 -4.385 9.627 -2.686 1.00 71.44 O ATOM 0 H GLY A 27 -2.184 12.602 -4.035 1.00 74.02 H new ATOM 0 HA2 GLY A 27 -3.850 11.101 -4.777 1.00 53.25 H new ATOM 0 HA3 GLY A 27 -2.665 9.815 -4.897 1.00 53.25 H new ATOM 419 N LEU A 28 -2.438 10.479 -1.948 1.00 50.13 N ATOM 420 CA LEU A 28 -2.665 10.085 -0.562 1.00 50.31 C ATOM 421 C LEU A 28 -3.876 10.809 0.018 1.00 5.35 C ATOM 422 O LEU A 28 -4.486 11.651 -0.642 1.00 62.42 O ATOM 423 CB LEU A 28 -1.425 10.383 0.283 1.00 70.42 C ATOM 424 CG LEU A 28 -0.090 9.913 -0.296 1.00 41.12 C ATOM 425 CD1 LEU A 28 1.070 10.580 0.427 1.00 33.24 C ATOM 426 CD2 LEU A 28 0.025 8.398 -0.210 1.00 45.20 C ATOM 0 H LEU A 28 -1.555 10.964 -2.109 1.00 50.13 H new ATOM 0 HA LEU A 28 -2.862 9.013 -0.542 1.00 50.31 H new ATOM 0 HB2 LEU A 28 -1.370 11.460 0.444 1.00 70.42 H new ATOM 0 HB3 LEU A 28 -1.557 9.921 1.261 1.00 70.42 H new ATOM 0 HG LEU A 28 -0.050 10.201 -1.346 1.00 41.12 H new ATOM 0 HD11 LEU A 28 2.012 10.233 0.001 1.00 33.24 H new ATOM 0 HD12 LEU A 28 0.996 11.661 0.313 1.00 33.24 H new ATOM 0 HD13 LEU A 28 1.034 10.324 1.486 1.00 33.24 H new ATOM 0 HD21 LEU A 28 0.981 8.081 -0.627 1.00 45.20 H new ATOM 0 HD22 LEU A 28 -0.037 8.087 0.833 1.00 45.20 H new ATOM 0 HD23 LEU A 28 -0.787 7.939 -0.775 1.00 45.20 H new ATOM 438 N THR A 29 -4.217 10.478 1.260 1.00 54.50 N ATOM 439 CA THR A 29 -5.354 11.097 1.930 1.00 2.44 C ATOM 440 C THR A 29 -4.893 12.121 2.962 1.00 40.13 C ATOM 441 O THR A 29 -4.049 11.826 3.808 1.00 5.34 O ATOM 442 CB THR A 29 -6.236 10.045 2.628 1.00 72.24 C ATOM 443 OG1 THR A 29 -6.679 9.070 1.677 1.00 31.41 O ATOM 444 CG2 THR A 29 -7.440 10.700 3.288 1.00 21.42 C ATOM 0 H THR A 29 -3.722 9.785 1.822 1.00 54.50 H new ATOM 0 HA THR A 29 -5.940 11.599 1.160 1.00 2.44 H new ATOM 0 HB THR A 29 -5.640 9.557 3.399 1.00 72.24 H new ATOM 0 HG1 THR A 29 -7.238 8.403 2.128 1.00 31.41 H new ATOM 0 HG21 THR A 29 -8.048 9.937 3.774 1.00 21.42 H new ATOM 0 HG22 THR A 29 -7.100 11.421 4.031 1.00 21.42 H new ATOM 0 HG23 THR A 29 -8.036 11.211 2.532 1.00 21.42 H new ATOM 452 N CYS A 30 -5.452 13.323 2.886 1.00 55.44 N ATOM 453 CA CYS A 30 -5.098 14.392 3.813 1.00 33.35 C ATOM 454 C CYS A 30 -6.253 14.691 4.764 1.00 41.42 C ATOM 455 O CYS A 30 -7.345 15.066 4.334 1.00 23.41 O ATOM 456 CB CYS A 30 -4.713 15.656 3.045 1.00 52.44 C ATOM 457 SG CYS A 30 -4.469 17.111 4.091 1.00 62.31 S ATOM 0 H CYS A 30 -6.153 13.582 2.192 1.00 55.44 H new ATOM 0 HA CYS A 30 -4.243 14.060 4.402 1.00 33.35 H new ATOM 0 HB2 CYS A 30 -3.796 15.464 2.488 1.00 52.44 H new ATOM 0 HB3 CYS A 30 -5.491 15.874 2.313 1.00 52.44 H new ATOM 0 HG CYS A 30 -5.486 17.247 4.889 1.00 62.31 H new ATOM 463 N THR A 31 -6.005 14.523 6.059 1.00 34.12 N ATOM 464 CA THR A 31 -7.025 14.772 7.071 1.00 45.32 C ATOM 465 C THR A 31 -6.415 15.386 8.326 1.00 23.30 C ATOM 466 O THR A 31 -5.568 14.776 8.980 1.00 31.41 O ATOM 467 CB THR A 31 -7.765 13.477 7.454 1.00 61.03 C ATOM 468 OG1 THR A 31 -8.434 12.939 6.308 1.00 35.52 O ATOM 469 CG2 THR A 31 -8.774 13.738 8.561 1.00 34.14 C ATOM 0 H THR A 31 -5.107 14.216 6.432 1.00 34.12 H new ATOM 0 HA THR A 31 -7.737 15.473 6.636 1.00 45.32 H new ATOM 0 HB THR A 31 -7.031 12.758 7.816 1.00 61.03 H new ATOM 0 HG1 THR A 31 -8.901 12.115 6.559 1.00 35.52 H new ATOM 0 HG21 THR A 31 -9.284 12.809 8.815 1.00 34.14 H new ATOM 0 HG22 THR A 31 -8.257 14.120 9.441 1.00 34.14 H new ATOM 0 HG23 THR A 31 -9.505 14.472 8.222 1.00 34.14 H new ATOM 477 N THR A 32 -6.850 16.597 8.659 1.00 33.21 N ATOM 478 CA THR A 32 -6.347 17.293 9.836 1.00 2.22 C ATOM 479 C THR A 32 -7.491 17.770 10.724 1.00 44.10 C ATOM 480 O THR A 32 -8.663 17.571 10.404 1.00 23.00 O ATOM 481 CB THR A 32 -5.477 18.503 9.444 1.00 34.24 C ATOM 482 OG1 THR A 32 -6.265 19.461 8.728 1.00 21.41 O ATOM 483 CG2 THR A 32 -4.298 18.067 8.588 1.00 22.24 C ATOM 0 H THR A 32 -7.550 17.116 8.129 1.00 33.21 H new ATOM 0 HA THR A 32 -5.736 16.579 10.388 1.00 2.22 H new ATOM 0 HB THR A 32 -5.094 18.958 10.357 1.00 34.24 H new ATOM 0 HG1 THR A 32 -5.801 19.715 7.903 1.00 21.41 H new ATOM 0 HG21 THR A 32 -3.698 18.938 8.324 1.00 22.24 H new ATOM 0 HG22 THR A 32 -3.684 17.360 9.147 1.00 22.24 H new ATOM 0 HG23 THR A 32 -4.665 17.590 7.679 1.00 22.24 H new ATOM 491 N PHE A 33 -7.143 18.401 11.841 1.00 51.55 N ATOM 492 CA PHE A 33 -8.142 18.907 12.775 1.00 3.03 C ATOM 493 C PHE A 33 -7.643 20.168 13.474 1.00 1.34 C ATOM 494 O PHE A 33 -8.009 21.282 13.101 1.00 4.43 O ATOM 495 CB PHE A 33 -8.487 17.837 13.814 1.00 41.54 C ATOM 496 CG PHE A 33 -8.991 16.557 13.211 1.00 41.42 C ATOM 497 CD1 PHE A 33 -10.343 16.376 12.968 1.00 21.32 C ATOM 498 CD2 PHE A 33 -8.113 15.536 12.887 1.00 23.32 C ATOM 499 CE1 PHE A 33 -10.810 15.199 12.413 1.00 11.12 C ATOM 500 CE2 PHE A 33 -8.574 14.357 12.332 1.00 40.23 C ATOM 501 CZ PHE A 33 -9.924 14.188 12.096 1.00 54.24 C ATOM 0 H PHE A 33 -6.178 18.574 12.121 1.00 51.55 H new ATOM 0 HA PHE A 33 -9.039 19.157 12.209 1.00 3.03 H new ATOM 0 HB2 PHE A 33 -7.601 17.624 14.412 1.00 41.54 H new ATOM 0 HB3 PHE A 33 -9.243 18.232 14.493 1.00 41.54 H new ATOM 0 HD1 PHE A 33 -11.040 17.163 13.215 1.00 21.32 H new ATOM 0 HD2 PHE A 33 -7.056 15.662 13.070 1.00 23.32 H new ATOM 0 HE1 PHE A 33 -11.866 15.070 12.228 1.00 11.12 H new ATOM 0 HE2 PHE A 33 -7.879 13.569 12.083 1.00 40.23 H new ATOM 0 HZ PHE A 33 -10.286 13.267 11.664 1.00 54.24 H new ATOM 511 N GLU A 34 -6.806 19.983 14.491 1.00 71.04 N ATOM 512 CA GLU A 34 -6.258 21.106 15.243 1.00 74.32 C ATOM 513 C GLU A 34 -5.485 20.617 16.464 1.00 64.22 C ATOM 514 O GLU A 34 -4.301 20.913 16.621 1.00 10.11 O ATOM 515 CB GLU A 34 -7.380 22.050 15.681 1.00 44.43 C ATOM 516 CG GLU A 34 -7.351 23.396 14.976 1.00 12.43 C ATOM 517 CD GLU A 34 -7.250 24.559 15.944 1.00 10.41 C ATOM 518 OE1 GLU A 34 -6.436 24.476 16.887 1.00 2.15 O ATOM 519 OE2 GLU A 34 -7.985 25.552 15.759 1.00 64.13 O ATOM 0 H GLU A 34 -6.493 19.067 14.812 1.00 71.04 H new ATOM 0 HA GLU A 34 -5.571 21.646 14.592 1.00 74.32 H new ATOM 0 HB2 GLU A 34 -8.341 21.571 15.493 1.00 44.43 H new ATOM 0 HB3 GLU A 34 -7.309 22.211 16.757 1.00 44.43 H new ATOM 0 HG2 GLU A 34 -6.504 23.425 14.290 1.00 12.43 H new ATOM 0 HG3 GLU A 34 -8.253 23.506 14.374 1.00 12.43 H new ATOM 526 N ASN A 35 -6.163 19.866 17.326 1.00 52.33 N ATOM 527 CA ASN A 35 -5.541 19.337 18.534 1.00 64.25 C ATOM 528 C ASN A 35 -5.820 17.844 18.680 1.00 45.03 C ATOM 529 O ASN A 35 -6.762 17.317 18.090 1.00 43.14 O ATOM 530 CB ASN A 35 -6.052 20.086 19.766 1.00 23.41 C ATOM 531 CG ASN A 35 -6.447 21.515 19.451 1.00 15.31 C ATOM 532 OD1 ASN A 35 -5.659 22.282 18.898 1.00 70.25 O ATOM 533 ND2 ASN A 35 -7.674 21.881 19.804 1.00 75.32 N ATOM 0 H ASN A 35 -7.144 19.610 17.210 1.00 52.33 H new ATOM 0 HA ASN A 35 -4.464 19.481 18.451 1.00 64.25 H new ATOM 0 HB2 ASN A 35 -6.911 19.557 20.179 1.00 23.41 H new ATOM 0 HB3 ASN A 35 -5.279 20.087 20.534 1.00 23.41 H new ATOM 0 HD21 ASN A 35 -7.996 22.831 19.619 1.00 75.32 H new ATOM 0 HD22 ASN A 35 -8.294 21.212 20.260 1.00 75.32 H new ATOM 540 N GLY A 36 -4.993 17.168 19.472 1.00 63.45 N ATOM 541 CA GLY A 36 -5.167 15.742 19.682 1.00 51.33 C ATOM 542 C GLY A 36 -6.591 15.381 20.055 1.00 11.21 C ATOM 543 O GLY A 36 -7.064 14.289 19.743 1.00 4.13 O ATOM 0 H GLY A 36 -4.206 17.582 19.972 1.00 63.45 H new ATOM 0 HA2 GLY A 36 -4.885 15.207 18.775 1.00 51.33 H new ATOM 0 HA3 GLY A 36 -4.492 15.409 20.471 1.00 51.33 H new ATOM 547 N ASN A 37 -7.276 16.301 20.727 1.00 74.12 N ATOM 548 CA ASN A 37 -8.655 16.073 21.145 1.00 23.34 C ATOM 549 C ASN A 37 -9.512 15.616 19.969 1.00 21.50 C ATOM 550 O ASN A 37 -10.144 14.561 20.022 1.00 2.03 O ATOM 551 CB ASN A 37 -9.242 17.347 21.754 1.00 14.33 C ATOM 552 CG ASN A 37 -10.754 17.293 21.862 1.00 71.20 C ATOM 553 OD1 ASN A 37 -11.467 17.901 21.063 1.00 2.25 O ATOM 554 ND2 ASN A 37 -11.250 16.562 22.853 1.00 35.32 N ATOM 0 H ASN A 37 -6.899 17.211 20.994 1.00 74.12 H new ATOM 0 HA ASN A 37 -8.654 15.285 21.898 1.00 23.34 H new ATOM 0 HB2 ASN A 37 -8.815 17.503 22.745 1.00 14.33 H new ATOM 0 HB3 ASN A 37 -8.954 18.204 21.145 1.00 14.33 H new ATOM 0 HD21 ASN A 37 -12.260 16.487 22.976 1.00 35.32 H new ATOM 0 HD22 ASN A 37 -10.621 16.075 23.492 1.00 35.32 H new ATOM 561 N GLU A 38 -9.527 16.417 18.908 1.00 33.33 N ATOM 562 CA GLU A 38 -10.307 16.094 17.719 1.00 31.12 C ATOM 563 C GLU A 38 -9.893 14.741 17.148 1.00 71.21 C ATOM 564 O GLU A 38 -10.721 13.844 16.983 1.00 3.42 O ATOM 565 CB GLU A 38 -10.134 17.182 16.658 1.00 53.42 C ATOM 566 CG GLU A 38 -10.757 18.513 17.044 1.00 53.41 C ATOM 567 CD GLU A 38 -11.937 18.882 16.166 1.00 74.31 C ATOM 568 OE1 GLU A 38 -12.696 17.969 15.776 1.00 5.14 O ATOM 569 OE2 GLU A 38 -12.103 20.083 15.869 1.00 44.44 O ATOM 0 H GLU A 38 -9.008 17.293 18.848 1.00 33.33 H new ATOM 0 HA GLU A 38 -11.357 16.041 18.007 1.00 31.12 H new ATOM 0 HB2 GLU A 38 -9.070 17.329 16.471 1.00 53.42 H new ATOM 0 HB3 GLU A 38 -10.578 16.840 15.723 1.00 53.42 H new ATOM 0 HG2 GLU A 38 -11.082 18.470 18.084 1.00 53.41 H new ATOM 0 HG3 GLU A 38 -10.002 19.296 16.979 1.00 53.41 H new ATOM 576 N VAL A 39 -8.606 14.601 16.847 1.00 60.12 N ATOM 577 CA VAL A 39 -8.081 13.358 16.294 1.00 22.04 C ATOM 578 C VAL A 39 -8.510 12.159 17.133 1.00 3.30 C ATOM 579 O VAL A 39 -8.684 11.056 16.615 1.00 72.51 O ATOM 580 CB VAL A 39 -6.543 13.387 16.209 1.00 11.23 C ATOM 581 CG1 VAL A 39 -5.988 11.977 16.083 1.00 33.53 C ATOM 582 CG2 VAL A 39 -6.091 14.253 15.043 1.00 21.01 C ATOM 0 H VAL A 39 -7.908 15.333 16.977 1.00 60.12 H new ATOM 0 HA VAL A 39 -8.491 13.260 15.289 1.00 22.04 H new ATOM 0 HB VAL A 39 -6.154 13.823 17.129 1.00 11.23 H new ATOM 0 HG11 VAL A 39 -4.900 12.018 16.024 1.00 33.53 H new ATOM 0 HG12 VAL A 39 -6.283 11.391 16.954 1.00 33.53 H new ATOM 0 HG13 VAL A 39 -6.383 11.510 15.181 1.00 33.53 H new ATOM 0 HG21 VAL A 39 -5.002 14.262 14.998 1.00 21.01 H new ATOM 0 HG22 VAL A 39 -6.489 13.848 14.113 1.00 21.01 H new ATOM 0 HG23 VAL A 39 -6.457 15.270 15.182 1.00 21.01 H new ATOM 592 N LEU A 40 -8.679 12.383 18.431 1.00 1.05 N ATOM 593 CA LEU A 40 -9.089 11.321 19.344 1.00 43.01 C ATOM 594 C LEU A 40 -10.359 10.637 18.848 1.00 64.11 C ATOM 595 O LEU A 40 -10.382 9.424 18.642 1.00 60.01 O ATOM 596 CB LEU A 40 -9.315 11.886 20.747 1.00 10.41 C ATOM 597 CG LEU A 40 -8.984 10.950 21.910 1.00 74.45 C ATOM 598 CD1 LEU A 40 -9.645 9.595 21.708 1.00 74.10 C ATOM 599 CD2 LEU A 40 -7.478 10.793 22.057 1.00 42.43 C ATOM 0 H LEU A 40 -8.539 13.290 18.876 1.00 1.05 H new ATOM 0 HA LEU A 40 -8.290 10.580 19.382 1.00 43.01 H new ATOM 0 HB2 LEU A 40 -8.716 12.790 20.853 1.00 10.41 H new ATOM 0 HB3 LEU A 40 -10.360 12.184 20.833 1.00 10.41 H new ATOM 0 HG LEU A 40 -9.374 11.390 22.828 1.00 74.45 H new ATOM 0 HD11 LEU A 40 -9.399 8.942 22.545 1.00 74.10 H new ATOM 0 HD12 LEU A 40 -10.726 9.722 21.653 1.00 74.10 H new ATOM 0 HD13 LEU A 40 -9.284 9.149 20.781 1.00 74.10 H new ATOM 0 HD21 LEU A 40 -7.262 10.124 22.890 1.00 42.43 H new ATOM 0 HD22 LEU A 40 -7.064 10.376 21.139 1.00 42.43 H new ATOM 0 HD23 LEU A 40 -7.028 11.767 22.248 1.00 42.43 H new ATOM 611 N ALA A 41 -11.412 11.424 18.656 1.00 32.13 N ATOM 612 CA ALA A 41 -12.684 10.895 18.180 1.00 33.12 C ATOM 613 C ALA A 41 -12.489 10.026 16.943 1.00 63.43 C ATOM 614 O ALA A 41 -13.216 9.055 16.733 1.00 3.12 O ATOM 615 CB ALA A 41 -13.650 12.032 17.882 1.00 71.04 C ATOM 0 H ALA A 41 -11.409 12.430 18.823 1.00 32.13 H new ATOM 0 HA ALA A 41 -13.107 10.271 18.967 1.00 33.12 H new ATOM 0 HB1 ALA A 41 -14.596 11.622 17.527 1.00 71.04 H new ATOM 0 HB2 ALA A 41 -13.823 12.610 18.790 1.00 71.04 H new ATOM 0 HB3 ALA A 41 -13.225 12.679 17.115 1.00 71.04 H new ATOM 621 N ALA A 42 -11.503 10.381 16.125 1.00 22.05 N ATOM 622 CA ALA A 42 -11.211 9.632 14.909 1.00 13.23 C ATOM 623 C ALA A 42 -10.327 8.426 15.206 1.00 32.31 C ATOM 624 O ALA A 42 -10.447 7.382 14.563 1.00 32.11 O ATOM 625 CB ALA A 42 -10.547 10.535 13.880 1.00 34.01 C ATOM 0 H ALA A 42 -10.893 11.183 16.283 1.00 22.05 H new ATOM 0 HA ALA A 42 -12.154 9.267 14.502 1.00 13.23 H new ATOM 0 HB1 ALA A 42 -10.334 9.963 12.977 1.00 34.01 H new ATOM 0 HB2 ALA A 42 -11.214 11.362 13.637 1.00 34.01 H new ATOM 0 HB3 ALA A 42 -9.616 10.928 14.288 1.00 34.01 H new ATOM 631 N LEU A 43 -9.439 8.575 16.183 1.00 71.13 N ATOM 632 CA LEU A 43 -8.533 7.497 16.565 1.00 75.14 C ATOM 633 C LEU A 43 -9.311 6.288 17.075 1.00 62.33 C ATOM 634 O LEU A 43 -9.118 5.169 16.600 1.00 32.45 O ATOM 635 CB LEU A 43 -7.558 7.980 17.639 1.00 43.52 C ATOM 636 CG LEU A 43 -6.311 8.709 17.135 1.00 73.24 C ATOM 637 CD1 LEU A 43 -5.557 9.341 18.294 1.00 63.40 C ATOM 638 CD2 LEU A 43 -5.410 7.754 16.366 1.00 23.43 C ATOM 0 H LEU A 43 -9.327 9.432 16.725 1.00 71.13 H new ATOM 0 HA LEU A 43 -7.970 7.198 15.681 1.00 75.14 H new ATOM 0 HB2 LEU A 43 -8.095 8.645 18.316 1.00 43.52 H new ATOM 0 HB3 LEU A 43 -7.239 7.118 18.225 1.00 43.52 H new ATOM 0 HG LEU A 43 -6.626 9.503 16.458 1.00 73.24 H new ATOM 0 HD11 LEU A 43 -4.673 9.855 17.916 1.00 63.40 H new ATOM 0 HD12 LEU A 43 -6.204 10.057 18.802 1.00 63.40 H new ATOM 0 HD13 LEU A 43 -5.253 8.565 18.996 1.00 63.40 H new ATOM 0 HD21 LEU A 43 -4.528 8.289 16.015 1.00 23.43 H new ATOM 0 HD22 LEU A 43 -5.103 6.938 17.020 1.00 23.43 H new ATOM 0 HD23 LEU A 43 -5.953 7.350 15.512 1.00 23.43 H new ATOM 650 N ALA A 44 -10.191 6.522 18.042 1.00 30.24 N ATOM 651 CA ALA A 44 -11.001 5.453 18.614 1.00 64.23 C ATOM 652 C ALA A 44 -11.822 4.751 17.537 1.00 10.24 C ATOM 653 O ALA A 44 -12.232 3.603 17.706 1.00 64.32 O ATOM 654 CB ALA A 44 -11.912 6.004 19.700 1.00 1.03 C ATOM 0 H ALA A 44 -10.362 7.443 18.446 1.00 30.24 H new ATOM 0 HA ALA A 44 -10.329 4.719 19.058 1.00 64.23 H new ATOM 0 HB1 ALA A 44 -12.511 5.195 20.118 1.00 1.03 H new ATOM 0 HB2 ALA A 44 -11.308 6.453 20.488 1.00 1.03 H new ATOM 0 HB3 ALA A 44 -12.571 6.760 19.273 1.00 1.03 H new ATOM 660 N SER A 45 -12.060 5.450 16.432 1.00 61.53 N ATOM 661 CA SER A 45 -12.837 4.895 15.329 1.00 23.44 C ATOM 662 C SER A 45 -11.938 4.128 14.364 1.00 53.04 C ATOM 663 O SER A 45 -12.260 3.014 13.948 1.00 10.54 O ATOM 664 CB SER A 45 -13.572 6.010 14.584 1.00 70.23 C ATOM 665 OG SER A 45 -14.975 5.812 14.624 1.00 24.33 O ATOM 0 H SER A 45 -11.726 6.401 16.276 1.00 61.53 H new ATOM 0 HA SER A 45 -13.569 4.202 15.744 1.00 23.44 H new ATOM 0 HB2 SER A 45 -13.325 6.974 15.030 1.00 70.23 H new ATOM 0 HB3 SER A 45 -13.236 6.042 13.548 1.00 70.23 H new ATOM 0 HG SER A 45 -15.422 6.539 14.142 1.00 24.33 H new ATOM 671 N LYS A 46 -10.809 4.733 14.009 1.00 33.54 N ATOM 672 CA LYS A 46 -9.862 4.109 13.094 1.00 64.25 C ATOM 673 C LYS A 46 -8.439 4.580 13.378 1.00 12.31 C ATOM 674 O LYS A 46 -8.223 5.486 14.184 1.00 33.02 O ATOM 675 CB LYS A 46 -10.236 4.428 11.644 1.00 2.14 C ATOM 676 CG LYS A 46 -10.216 3.216 10.730 1.00 72.51 C ATOM 677 CD LYS A 46 -9.536 3.526 9.407 1.00 21.30 C ATOM 678 CE LYS A 46 -8.021 3.459 9.530 1.00 14.31 C ATOM 679 NZ LYS A 46 -7.554 2.095 9.902 1.00 14.24 N ATOM 0 H LYS A 46 -10.528 5.655 14.342 1.00 33.54 H new ATOM 0 HA LYS A 46 -9.906 3.031 13.246 1.00 64.25 H new ATOM 0 HB2 LYS A 46 -11.231 4.872 11.624 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -9.545 5.177 11.256 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -9.696 2.395 11.224 1.00 72.51 H new ATOM 0 HG3 LYS A 46 -11.237 2.881 10.546 1.00 72.51 H new ATOM 0 HD2 LYS A 46 -9.872 2.818 8.649 1.00 21.30 H new ATOM 0 HD3 LYS A 46 -9.831 4.519 9.069 1.00 21.30 H new ATOM 0 HE2 LYS A 46 -7.567 3.753 8.584 1.00 14.31 H new ATOM 0 HE3 LYS A 46 -7.686 4.175 10.281 1.00 14.31 H new ATOM 0 HZ1 LYS A 46 -6.532 2.118 10.092 1.00 14.24 H new ATOM 0 HZ2 LYS A 46 -8.057 1.776 10.755 1.00 14.24 H new ATOM 0 HZ3 LYS A 46 -7.746 1.437 9.120 1.00 14.24 H new ATOM 693 N THR A 47 -7.470 3.961 12.710 1.00 15.33 N ATOM 694 CA THR A 47 -6.069 4.318 12.891 1.00 20.22 C ATOM 695 C THR A 47 -5.350 4.419 11.551 1.00 40.21 C ATOM 696 O THR A 47 -5.290 3.463 10.778 1.00 44.04 O ATOM 697 CB THR A 47 -5.338 3.291 13.777 1.00 41.13 C ATOM 698 OG1 THR A 47 -5.061 2.105 13.024 1.00 30.55 O ATOM 699 CG2 THR A 47 -6.172 2.940 14.999 1.00 32.42 C ATOM 0 H THR A 47 -7.631 3.210 12.039 1.00 15.33 H new ATOM 0 HA THR A 47 -6.051 5.290 13.384 1.00 20.22 H new ATOM 0 HB THR A 47 -4.401 3.735 14.113 1.00 41.13 H new ATOM 0 HG1 THR A 47 -5.326 2.241 12.090 1.00 30.55 H new ATOM 0 HG21 THR A 47 -5.635 2.213 15.609 1.00 32.42 H new ATOM 0 HG22 THR A 47 -6.356 3.841 15.585 1.00 32.42 H new ATOM 0 HG23 THR A 47 -7.123 2.514 14.680 1.00 32.42 H new ATOM 707 N PRO A 48 -4.790 5.605 11.267 1.00 73.42 N ATOM 708 CA PRO A 48 -4.064 5.858 10.019 1.00 3.32 C ATOM 709 C PRO A 48 -2.738 5.107 9.957 1.00 12.23 C ATOM 710 O PRO A 48 -2.313 4.498 10.939 1.00 44.02 O ATOM 711 CB PRO A 48 -3.821 7.369 10.051 1.00 12.40 C ATOM 712 CG PRO A 48 -3.840 7.726 11.497 1.00 21.34 C ATOM 713 CD PRO A 48 -4.823 6.788 12.142 1.00 12.41 C ATOM 0 HA PRO A 48 -4.623 5.520 9.146 1.00 3.32 H new ATOM 0 HB2 PRO A 48 -2.866 7.626 9.592 1.00 12.40 H new ATOM 0 HB3 PRO A 48 -4.594 7.906 9.501 1.00 12.40 H new ATOM 0 HG2 PRO A 48 -2.849 7.618 11.939 1.00 21.34 H new ATOM 0 HG3 PRO A 48 -4.140 8.764 11.639 1.00 21.34 H new ATOM 0 HD2 PRO A 48 -4.532 6.541 13.163 1.00 12.41 H new ATOM 0 HD3 PRO A 48 -5.821 7.224 12.191 1.00 12.41 H new ATOM 721 N ASP A 49 -2.090 5.155 8.799 1.00 40.23 N ATOM 722 CA ASP A 49 -0.811 4.480 8.610 1.00 52.25 C ATOM 723 C ASP A 49 0.301 5.201 9.365 1.00 51.43 C ATOM 724 O ASP A 49 1.348 4.621 9.653 1.00 73.04 O ATOM 725 CB ASP A 49 -0.467 4.402 7.121 1.00 3.24 C ATOM 726 CG ASP A 49 -0.462 2.978 6.602 1.00 32.11 C ATOM 727 OD1 ASP A 49 0.142 2.107 7.263 1.00 42.04 O ATOM 728 OD2 ASP A 49 -1.064 2.734 5.536 1.00 62.15 O ATOM 0 H ASP A 49 -2.429 5.654 7.977 1.00 40.23 H new ATOM 0 HA ASP A 49 -0.899 3.469 9.008 1.00 52.25 H new ATOM 0 HB2 ASP A 49 -1.188 4.990 6.553 1.00 3.24 H new ATOM 0 HB3 ASP A 49 0.512 4.850 6.953 1.00 3.24 H new ATOM 733 N VAL A 50 0.067 6.471 9.682 1.00 61.11 N ATOM 734 CA VAL A 50 1.049 7.272 10.404 1.00 73.15 C ATOM 735 C VAL A 50 0.502 8.660 10.716 1.00 1.24 C ATOM 736 O VAL A 50 -0.141 9.290 9.876 1.00 54.20 O ATOM 737 CB VAL A 50 2.355 7.416 9.601 1.00 63.53 C ATOM 738 CG1 VAL A 50 2.120 8.230 8.338 1.00 55.01 C ATOM 739 CG2 VAL A 50 3.440 8.049 10.459 1.00 63.34 C ATOM 0 H VAL A 50 -0.794 6.967 9.450 1.00 61.11 H new ATOM 0 HA VAL A 50 1.260 6.749 11.337 1.00 73.15 H new ATOM 0 HB VAL A 50 2.690 6.422 9.305 1.00 63.53 H new ATOM 0 HG11 VAL A 50 3.055 8.321 7.784 1.00 55.01 H new ATOM 0 HG12 VAL A 50 1.377 7.731 7.716 1.00 55.01 H new ATOM 0 HG13 VAL A 50 1.760 9.223 8.607 1.00 55.01 H new ATOM 0 HG21 VAL A 50 4.356 8.143 9.876 1.00 63.34 H new ATOM 0 HG22 VAL A 50 3.115 9.037 10.787 1.00 63.34 H new ATOM 0 HG23 VAL A 50 3.627 7.421 11.330 1.00 63.34 H new ATOM 749 N LEU A 51 0.762 9.133 11.930 1.00 25.44 N ATOM 750 CA LEU A 51 0.297 10.448 12.356 1.00 41.24 C ATOM 751 C LEU A 51 1.432 11.250 12.986 1.00 73.35 C ATOM 752 O LEU A 51 2.147 10.754 13.857 1.00 12.15 O ATOM 753 CB LEU A 51 -0.856 10.306 13.351 1.00 41.13 C ATOM 754 CG LEU A 51 -1.370 11.605 13.972 1.00 12.11 C ATOM 755 CD1 LEU A 51 -2.864 11.513 14.242 1.00 51.03 C ATOM 756 CD2 LEU A 51 -0.613 11.919 15.254 1.00 13.14 C ATOM 0 H LEU A 51 1.293 8.625 12.637 1.00 25.44 H new ATOM 0 HA LEU A 51 -0.056 10.984 11.475 1.00 41.24 H new ATOM 0 HB2 LEU A 51 -1.687 9.815 12.845 1.00 41.13 H new ATOM 0 HB3 LEU A 51 -0.536 9.644 14.155 1.00 41.13 H new ATOM 0 HG LEU A 51 -1.199 12.416 13.264 1.00 12.11 H new ATOM 0 HD11 LEU A 51 -3.212 12.447 14.684 1.00 51.03 H new ATOM 0 HD12 LEU A 51 -3.393 11.336 13.305 1.00 51.03 H new ATOM 0 HD13 LEU A 51 -3.059 10.691 14.930 1.00 51.03 H new ATOM 0 HD21 LEU A 51 -0.992 12.847 15.682 1.00 13.14 H new ATOM 0 HD22 LEU A 51 -0.752 11.107 15.967 1.00 13.14 H new ATOM 0 HD23 LEU A 51 0.449 12.029 15.032 1.00 13.14 H new ATOM 768 N LEU A 52 1.590 12.491 12.540 1.00 0.33 N ATOM 769 CA LEU A 52 2.637 13.364 13.062 1.00 35.50 C ATOM 770 C LEU A 52 2.133 14.162 14.260 1.00 32.11 C ATOM 771 O LEU A 52 1.803 15.342 14.138 1.00 23.33 O ATOM 772 CB LEU A 52 3.126 14.316 11.969 1.00 32.34 C ATOM 773 CG LEU A 52 3.493 13.671 10.632 1.00 2.14 C ATOM 774 CD1 LEU A 52 2.311 13.713 9.677 1.00 71.02 C ATOM 775 CD2 LEU A 52 4.701 14.365 10.020 1.00 63.20 C ATOM 0 H LEU A 52 1.007 12.916 11.819 1.00 0.33 H new ATOM 0 HA LEU A 52 3.468 12.739 13.389 1.00 35.50 H new ATOM 0 HB2 LEU A 52 2.350 15.060 11.790 1.00 32.34 H new ATOM 0 HB3 LEU A 52 3.999 14.850 12.344 1.00 32.34 H new ATOM 0 HG LEU A 52 3.751 12.627 10.812 1.00 2.14 H new ATOM 0 HD11 LEU A 52 2.591 13.250 8.731 1.00 71.02 H new ATOM 0 HD12 LEU A 52 1.472 13.171 10.113 1.00 71.02 H new ATOM 0 HD13 LEU A 52 2.021 14.749 9.502 1.00 71.02 H new ATOM 0 HD21 LEU A 52 4.949 13.893 9.069 1.00 63.20 H new ATOM 0 HD22 LEU A 52 4.471 15.417 9.854 1.00 63.20 H new ATOM 0 HD23 LEU A 52 5.550 14.282 10.698 1.00 63.20 H new ATOM 787 N SER A 53 2.078 13.511 15.418 1.00 50.03 N ATOM 788 CA SER A 53 1.613 14.160 16.638 1.00 21.32 C ATOM 789 C SER A 53 2.356 15.471 16.873 1.00 3.22 C ATOM 790 O SER A 53 3.431 15.697 16.316 1.00 11.03 O ATOM 791 CB SER A 53 1.803 13.231 17.839 1.00 72.32 C ATOM 792 OG SER A 53 1.179 13.759 18.996 1.00 34.11 O ATOM 0 H SER A 53 2.350 12.535 15.537 1.00 50.03 H new ATOM 0 HA SER A 53 0.552 14.380 16.521 1.00 21.32 H new ATOM 0 HB2 SER A 53 1.386 12.250 17.613 1.00 72.32 H new ATOM 0 HB3 SER A 53 2.867 13.089 18.028 1.00 72.32 H new ATOM 0 HG SER A 53 1.462 13.247 19.783 1.00 34.11 H new ATOM 798 N ASP A 54 1.776 16.332 17.702 1.00 51.44 N ATOM 799 CA ASP A 54 2.382 17.622 18.012 1.00 24.33 C ATOM 800 C ASP A 54 2.387 17.871 19.517 1.00 11.52 C ATOM 801 O ASP A 54 1.337 17.859 20.161 1.00 5.53 O ATOM 802 CB ASP A 54 1.633 18.747 17.298 1.00 14.42 C ATOM 803 CG ASP A 54 2.494 19.978 17.093 1.00 63.32 C ATOM 804 OD1 ASP A 54 2.600 20.791 18.034 1.00 53.52 O ATOM 805 OD2 ASP A 54 3.063 20.127 15.991 1.00 53.24 O ATOM 0 H ASP A 54 0.887 16.160 18.171 1.00 51.44 H new ATOM 0 HA ASP A 54 3.414 17.605 17.661 1.00 24.33 H new ATOM 0 HB2 ASP A 54 1.281 18.388 16.331 1.00 14.42 H new ATOM 0 HB3 ASP A 54 0.751 19.017 17.878 1.00 14.42 H new ATOM 810 N ILE A 55 3.574 18.096 20.071 1.00 53.31 N ATOM 811 CA ILE A 55 3.714 18.349 21.500 1.00 60.34 C ATOM 812 C ILE A 55 4.142 19.788 21.764 1.00 11.30 C ATOM 813 O ILE A 55 5.107 20.037 22.487 1.00 71.01 O ATOM 814 CB ILE A 55 4.738 17.394 22.142 1.00 41.51 C ATOM 815 CG1 ILE A 55 5.996 17.303 21.275 1.00 32.34 C ATOM 816 CG2 ILE A 55 4.125 16.017 22.343 1.00 71.34 C ATOM 817 CD1 ILE A 55 5.935 16.206 20.236 1.00 73.51 C ATOM 0 H ILE A 55 4.452 18.108 19.552 1.00 53.31 H new ATOM 0 HA ILE A 55 2.736 18.176 21.949 1.00 60.34 H new ATOM 0 HB ILE A 55 5.020 17.790 23.118 1.00 41.51 H new ATOM 0 HG12 ILE A 55 6.152 18.258 20.774 1.00 32.34 H new ATOM 0 HG13 ILE A 55 6.860 17.135 21.918 1.00 32.34 H new ATOM 0 HG21 ILE A 55 4.861 15.354 22.797 1.00 71.34 H new ATOM 0 HG22 ILE A 55 3.256 16.097 22.997 1.00 71.34 H new ATOM 0 HG23 ILE A 55 3.817 15.611 21.379 1.00 71.34 H new ATOM 0 HD11 ILE A 55 6.859 16.200 19.659 1.00 73.51 H new ATOM 0 HD12 ILE A 55 5.810 15.243 20.731 1.00 73.51 H new ATOM 0 HD13 ILE A 55 5.092 16.383 19.569 1.00 73.51 H new ATOM 829 N ARG A 56 3.416 20.733 21.175 1.00 2.21 N ATOM 830 CA ARG A 56 3.720 22.149 21.347 1.00 21.44 C ATOM 831 C ARG A 56 2.611 23.018 20.762 1.00 30.02 C ATOM 832 O ARG A 56 2.838 23.785 19.827 1.00 4.34 O ATOM 833 CB ARG A 56 5.055 22.490 20.683 1.00 52.23 C ATOM 834 CG ARG A 56 5.544 23.897 20.987 1.00 64.34 C ATOM 835 CD ARG A 56 6.664 24.312 20.046 1.00 43.34 C ATOM 836 NE ARG A 56 7.027 25.717 20.213 1.00 53.11 N ATOM 837 CZ ARG A 56 6.329 26.723 19.697 1.00 34.31 C ATOM 838 NH1 ARG A 56 5.237 26.480 18.985 1.00 34.45 N ATOM 839 NH2 ARG A 56 6.722 27.975 19.893 1.00 22.42 N ATOM 0 H ARG A 56 2.613 20.544 20.575 1.00 2.21 H new ATOM 0 HA ARG A 56 3.791 22.353 22.415 1.00 21.44 H new ATOM 0 HB2 ARG A 56 5.808 21.774 21.011 1.00 52.23 H new ATOM 0 HB3 ARG A 56 4.954 22.374 19.604 1.00 52.23 H new ATOM 0 HG2 ARG A 56 4.715 24.599 20.899 1.00 64.34 H new ATOM 0 HG3 ARG A 56 5.896 23.947 22.017 1.00 64.34 H new ATOM 0 HD2 ARG A 56 7.539 23.688 20.226 1.00 43.34 H new ATOM 0 HD3 ARG A 56 6.355 24.137 19.015 1.00 43.34 H new ATOM 0 HE ARG A 56 7.862 25.938 20.755 1.00 53.11 H new ATOM 0 HH11 ARG A 56 4.931 25.519 18.832 1.00 34.45 H new ATOM 0 HH12 ARG A 56 4.703 27.254 18.590 1.00 34.45 H new ATOM 0 HH21 ARG A 56 7.561 28.166 20.440 1.00 22.42 H new ATOM 0 HH22 ARG A 56 6.185 28.746 19.496 1.00 22.42 H new ATOM 853 N MET A 57 1.411 22.891 21.319 1.00 51.21 N ATOM 854 CA MET A 57 0.267 23.666 20.852 1.00 32.14 C ATOM 855 C MET A 57 -0.637 24.057 22.018 1.00 63.33 C ATOM 856 O MET A 57 -0.643 23.419 23.071 1.00 71.44 O ATOM 857 CB MET A 57 -0.530 22.867 19.820 1.00 73.24 C ATOM 858 CG MET A 57 -0.742 21.413 20.208 1.00 60.51 C ATOM 859 SD MET A 57 -2.378 20.804 19.755 1.00 24.31 S ATOM 860 CE MET A 57 -2.069 19.042 19.660 1.00 22.10 C ATOM 0 H MET A 57 1.206 22.260 22.093 1.00 51.21 H new ATOM 0 HA MET A 57 0.643 24.576 20.385 1.00 32.14 H new ATOM 0 HB2 MET A 57 -1.501 23.341 19.676 1.00 73.24 H new ATOM 0 HB3 MET A 57 -0.011 22.907 18.862 1.00 73.24 H new ATOM 0 HG2 MET A 57 0.017 20.798 19.725 1.00 60.51 H new ATOM 0 HG3 MET A 57 -0.603 21.304 21.284 1.00 60.51 H new ATOM 0 HE1 MET A 57 -2.470 18.652 18.725 1.00 22.10 H new ATOM 0 HE2 MET A 57 -0.995 18.858 19.699 1.00 22.10 H new ATOM 0 HE3 MET A 57 -2.553 18.542 20.499 1.00 22.10 H new ATOM 870 N PRO A 58 -1.418 25.130 21.828 1.00 51.33 N ATOM 871 CA PRO A 58 -2.340 25.630 22.852 1.00 21.43 C ATOM 872 C PRO A 58 -3.519 24.690 23.079 1.00 21.40 C ATOM 873 O PRO A 58 -4.111 24.669 24.157 1.00 2.44 O ATOM 874 CB PRO A 58 -2.822 26.963 22.276 1.00 53.12 C ATOM 875 CG PRO A 58 -2.666 26.817 20.801 1.00 4.25 C ATOM 876 CD PRO A 58 -1.462 25.939 20.598 1.00 72.12 C ATOM 0 HA PRO A 58 -1.857 25.721 23.825 1.00 21.43 H new ATOM 0 HB2 PRO A 58 -3.859 27.159 22.547 1.00 53.12 H new ATOM 0 HB3 PRO A 58 -2.230 27.796 22.656 1.00 53.12 H new ATOM 0 HG2 PRO A 58 -3.555 26.369 20.357 1.00 4.25 H new ATOM 0 HG3 PRO A 58 -2.526 27.788 20.325 1.00 4.25 H new ATOM 0 HD2 PRO A 58 -1.565 25.315 19.710 1.00 72.12 H new ATOM 0 HD3 PRO A 58 -0.553 26.527 20.471 1.00 72.12 H new ATOM 884 N GLY A 59 -3.855 23.911 22.055 1.00 50.12 N ATOM 885 CA GLY A 59 -4.962 22.979 22.163 1.00 11.14 C ATOM 886 C GLY A 59 -4.849 22.085 23.382 1.00 74.40 C ATOM 887 O GLY A 59 -5.445 22.364 24.422 1.00 22.21 O ATOM 0 H GLY A 59 -3.380 23.909 21.152 1.00 50.12 H new ATOM 0 HA2 GLY A 59 -5.898 23.535 22.209 1.00 11.14 H new ATOM 0 HA3 GLY A 59 -5.002 22.362 21.266 1.00 11.14 H new ATOM 891 N MET A 60 -4.085 21.005 23.253 1.00 1.20 N ATOM 892 CA MET A 60 -3.897 20.066 24.353 1.00 11.41 C ATOM 893 C MET A 60 -2.440 19.626 24.449 1.00 61.42 C ATOM 894 O MET A 60 -1.687 20.117 25.290 1.00 60.02 O ATOM 895 CB MET A 60 -4.800 18.845 24.170 1.00 54.43 C ATOM 896 CG MET A 60 -4.647 17.806 25.268 1.00 72.42 C ATOM 897 SD MET A 60 -4.962 16.129 24.685 1.00 23.52 S ATOM 898 CE MET A 60 -6.389 16.397 23.636 1.00 24.43 C ATOM 0 H MET A 60 -3.586 20.759 22.398 1.00 1.20 H new ATOM 0 HA MET A 60 -4.167 20.572 25.280 1.00 11.41 H new ATOM 0 HB2 MET A 60 -5.839 19.174 24.134 1.00 54.43 H new ATOM 0 HB3 MET A 60 -4.579 18.381 23.209 1.00 54.43 H new ATOM 0 HG2 MET A 60 -3.638 17.861 25.677 1.00 72.42 H new ATOM 0 HG3 MET A 60 -5.334 18.039 26.082 1.00 72.42 H new ATOM 0 HE1 MET A 60 -6.832 15.437 23.372 1.00 24.43 H new ATOM 0 HE2 MET A 60 -7.123 17.002 24.168 1.00 24.43 H new ATOM 0 HE3 MET A 60 -6.081 16.916 22.728 1.00 24.43 H new ATOM 908 N ASP A 61 -2.049 18.697 23.583 1.00 74.02 N ATOM 909 CA ASP A 61 -0.682 18.191 23.570 1.00 61.44 C ATOM 910 C ASP A 61 -0.529 17.067 22.550 1.00 65.52 C ATOM 911 O ASP A 61 -1.459 16.758 21.806 1.00 44.42 O ATOM 912 CB ASP A 61 -0.287 17.692 24.960 1.00 24.23 C ATOM 913 CG ASP A 61 -1.362 16.833 25.595 1.00 75.53 C ATOM 914 OD1 ASP A 61 -1.895 15.940 24.902 1.00 42.03 O ATOM 915 OD2 ASP A 61 -1.672 17.052 26.784 1.00 24.13 O ATOM 0 H ASP A 61 -2.660 18.279 22.881 1.00 74.02 H new ATOM 0 HA ASP A 61 -0.020 19.009 23.285 1.00 61.44 H new ATOM 0 HB2 ASP A 61 0.637 17.118 24.888 1.00 24.23 H new ATOM 0 HB3 ASP A 61 -0.081 18.547 25.605 1.00 24.23 H new ATOM 920 N GLY A 62 0.653 16.458 22.521 1.00 62.44 N ATOM 921 CA GLY A 62 0.907 15.375 21.588 1.00 43.43 C ATOM 922 C GLY A 62 1.209 14.065 22.288 1.00 51.22 C ATOM 923 O GLY A 62 1.293 13.016 21.648 1.00 21.12 O ATOM 0 H GLY A 62 1.439 16.695 23.127 1.00 62.44 H new ATOM 0 HA2 GLY A 62 0.039 15.246 20.941 1.00 43.43 H new ATOM 0 HA3 GLY A 62 1.746 15.642 20.946 1.00 43.43 H new ATOM 927 N LEU A 63 1.374 14.124 23.605 1.00 52.34 N ATOM 928 CA LEU A 63 1.670 12.933 24.393 1.00 72.02 C ATOM 929 C LEU A 63 0.387 12.207 24.785 1.00 11.24 C ATOM 930 O LEU A 63 0.317 10.979 24.739 1.00 45.53 O ATOM 931 CB LEU A 63 2.460 13.311 25.647 1.00 31.40 C ATOM 932 CG LEU A 63 3.935 13.653 25.433 1.00 31.55 C ATOM 933 CD1 LEU A 63 4.550 14.189 26.717 1.00 73.11 C ATOM 934 CD2 LEU A 63 4.700 12.432 24.943 1.00 33.20 C ATOM 0 H LEU A 63 1.308 14.984 24.149 1.00 52.34 H new ATOM 0 HA LEU A 63 2.272 12.262 23.781 1.00 72.02 H new ATOM 0 HB2 LEU A 63 1.973 14.167 26.114 1.00 31.40 H new ATOM 0 HB3 LEU A 63 2.398 12.484 26.354 1.00 31.40 H new ATOM 0 HG LEU A 63 4.001 14.429 24.670 1.00 31.55 H new ATOM 0 HD11 LEU A 63 5.600 14.427 26.546 1.00 73.11 H new ATOM 0 HD12 LEU A 63 4.019 15.090 27.026 1.00 73.11 H new ATOM 0 HD13 LEU A 63 4.472 13.435 27.500 1.00 73.11 H new ATOM 0 HD21 LEU A 63 5.748 12.694 24.796 1.00 33.20 H new ATOM 0 HD22 LEU A 63 4.625 11.635 25.683 1.00 33.20 H new ATOM 0 HD23 LEU A 63 4.275 12.091 23.999 1.00 33.20 H new ATOM 946 N ALA A 64 -0.627 12.975 25.170 1.00 12.24 N ATOM 947 CA ALA A 64 -1.909 12.406 25.567 1.00 71.33 C ATOM 948 C ALA A 64 -2.560 11.659 24.407 1.00 12.24 C ATOM 949 O ALA A 64 -3.323 10.714 24.614 1.00 3.20 O ATOM 950 CB ALA A 64 -2.835 13.498 26.081 1.00 75.14 C ATOM 0 H ALA A 64 -0.585 13.993 25.215 1.00 12.24 H new ATOM 0 HA ALA A 64 -1.729 11.691 26.370 1.00 71.33 H new ATOM 0 HB1 ALA A 64 -3.789 13.058 26.374 1.00 75.14 H new ATOM 0 HB2 ALA A 64 -2.380 13.985 26.943 1.00 75.14 H new ATOM 0 HB3 ALA A 64 -3.001 14.234 25.295 1.00 75.14 H new ATOM 956 N LEU A 65 -2.256 12.089 23.188 1.00 41.12 N ATOM 957 CA LEU A 65 -2.812 11.461 21.994 1.00 15.43 C ATOM 958 C LEU A 65 -1.971 10.264 21.566 1.00 22.53 C ATOM 959 O LEU A 65 -2.504 9.206 21.228 1.00 63.20 O ATOM 960 CB LEU A 65 -2.895 12.476 20.852 1.00 21.51 C ATOM 961 CG LEU A 65 -3.778 12.082 19.667 1.00 23.33 C ATOM 962 CD1 LEU A 65 -5.244 12.080 20.071 1.00 2.24 C ATOM 963 CD2 LEU A 65 -3.547 13.023 18.494 1.00 1.12 C ATOM 0 H LEU A 65 -1.628 12.870 23.000 1.00 41.12 H new ATOM 0 HA LEU A 65 -3.816 11.109 22.233 1.00 15.43 H new ATOM 0 HB2 LEU A 65 -3.264 13.419 21.256 1.00 21.51 H new ATOM 0 HB3 LEU A 65 -1.886 12.660 20.482 1.00 21.51 H new ATOM 0 HG LEU A 65 -3.507 11.073 19.356 1.00 23.33 H new ATOM 0 HD11 LEU A 65 -5.857 11.797 19.215 1.00 2.24 H new ATOM 0 HD12 LEU A 65 -5.398 11.365 20.879 1.00 2.24 H new ATOM 0 HD13 LEU A 65 -5.530 13.076 20.409 1.00 2.24 H new ATOM 0 HD21 LEU A 65 -4.183 12.728 17.660 1.00 1.12 H new ATOM 0 HD22 LEU A 65 -3.790 14.043 18.792 1.00 1.12 H new ATOM 0 HD23 LEU A 65 -2.502 12.974 18.188 1.00 1.12 H new ATOM 975 N LEU A 66 -0.654 10.436 21.585 1.00 23.43 N ATOM 976 CA LEU A 66 0.263 9.368 21.201 1.00 30.33 C ATOM 977 C LEU A 66 0.253 8.244 22.233 1.00 53.12 C ATOM 978 O LEU A 66 0.534 7.089 21.912 1.00 3.20 O ATOM 979 CB LEU A 66 1.681 9.918 21.044 1.00 5.32 C ATOM 980 CG LEU A 66 2.738 8.924 20.562 1.00 71.33 C ATOM 981 CD1 LEU A 66 2.541 8.609 19.087 1.00 50.42 C ATOM 982 CD2 LEU A 66 4.137 9.469 20.811 1.00 73.24 C ATOM 0 H LEU A 66 -0.197 11.305 21.862 1.00 23.43 H new ATOM 0 HA LEU A 66 -0.071 8.963 20.246 1.00 30.33 H new ATOM 0 HB2 LEU A 66 1.650 10.752 20.343 1.00 5.32 H new ATOM 0 HB3 LEU A 66 2.001 10.321 22.005 1.00 5.32 H new ATOM 0 HG LEU A 66 2.624 8.000 21.128 1.00 71.33 H new ATOM 0 HD11 LEU A 66 3.302 7.900 18.762 1.00 50.42 H new ATOM 0 HD12 LEU A 66 1.553 8.175 18.937 1.00 50.42 H new ATOM 0 HD13 LEU A 66 2.627 9.526 18.504 1.00 50.42 H new ATOM 0 HD21 LEU A 66 4.876 8.748 20.462 1.00 73.24 H new ATOM 0 HD22 LEU A 66 4.263 10.408 20.272 1.00 73.24 H new ATOM 0 HD23 LEU A 66 4.275 9.642 21.878 1.00 73.24 H new ATOM 994 N LYS A 67 -0.076 8.590 23.473 1.00 21.50 N ATOM 995 CA LYS A 67 -0.127 7.611 24.552 1.00 30.44 C ATOM 996 C LYS A 67 -1.300 6.654 24.364 1.00 62.42 C ATOM 997 O LYS A 67 -1.318 5.561 24.931 1.00 42.53 O ATOM 998 CB LYS A 67 -0.244 8.317 25.905 1.00 52.54 C ATOM 999 CG LYS A 67 -0.253 7.367 27.089 1.00 23.22 C ATOM 1000 CD LYS A 67 -1.650 7.203 27.663 1.00 52.13 C ATOM 1001 CE LYS A 67 -1.652 6.278 28.870 1.00 73.42 C ATOM 1002 NZ LYS A 67 -1.108 6.947 30.083 1.00 4.32 N ATOM 0 H LYS A 67 -0.311 9.541 23.756 1.00 21.50 H new ATOM 0 HA LYS A 67 0.798 7.034 24.529 1.00 30.44 H new ATOM 0 HB2 LYS A 67 0.588 9.013 26.015 1.00 52.54 H new ATOM 0 HB3 LYS A 67 -1.159 8.909 25.918 1.00 52.54 H new ATOM 0 HG2 LYS A 67 0.130 6.395 26.779 1.00 23.22 H new ATOM 0 HG3 LYS A 67 0.417 7.742 27.862 1.00 23.22 H new ATOM 0 HD2 LYS A 67 -2.043 8.178 27.950 1.00 52.13 H new ATOM 0 HD3 LYS A 67 -2.315 6.804 26.897 1.00 52.13 H new ATOM 0 HE2 LYS A 67 -2.670 5.941 29.067 1.00 73.42 H new ATOM 0 HE3 LYS A 67 -1.059 5.391 28.648 1.00 73.42 H new ATOM 0 HZ1 LYS A 67 -1.127 6.283 30.883 1.00 4.32 H new ATOM 0 HZ2 LYS A 67 -0.128 7.247 29.904 1.00 4.32 H new ATOM 0 HZ3 LYS A 67 -1.689 7.779 30.310 1.00 4.32 H new ATOM 1016 N GLN A 68 -2.275 7.071 23.563 1.00 34.24 N ATOM 1017 CA GLN A 68 -3.451 6.249 23.300 1.00 0.34 C ATOM 1018 C GLN A 68 -3.104 5.081 22.383 1.00 34.14 C ATOM 1019 O GLN A 68 -3.239 3.918 22.766 1.00 41.20 O ATOM 1020 CB GLN A 68 -4.560 7.095 22.672 1.00 61.22 C ATOM 1021 CG GLN A 68 -5.768 7.283 23.575 1.00 30.42 C ATOM 1022 CD GLN A 68 -7.049 7.511 22.797 1.00 3.30 C ATOM 1023 OE1 GLN A 68 -7.019 7.932 21.640 1.00 31.11 O ATOM 1024 NE2 GLN A 68 -8.183 7.235 23.429 1.00 33.32 N ATOM 0 H GLN A 68 -2.274 7.972 23.085 1.00 34.24 H new ATOM 0 HA GLN A 68 -3.804 5.848 24.250 1.00 0.34 H new ATOM 0 HB2 GLN A 68 -4.156 8.073 22.412 1.00 61.22 H new ATOM 0 HB3 GLN A 68 -4.881 6.625 21.742 1.00 61.22 H new ATOM 0 HG2 GLN A 68 -5.884 6.403 24.208 1.00 30.42 H new ATOM 0 HG3 GLN A 68 -5.594 8.131 24.237 1.00 30.42 H new ATOM 0 HE21 GLN A 68 -8.161 6.888 24.388 1.00 33.32 H new ATOM 0 HE22 GLN A 68 -9.076 7.370 22.956 1.00 33.32 H new ATOM 1033 N ILE A 69 -2.659 5.398 21.172 1.00 24.35 N ATOM 1034 CA ILE A 69 -2.292 4.374 20.202 1.00 74.12 C ATOM 1035 C ILE A 69 -1.203 3.459 20.752 1.00 52.41 C ATOM 1036 O ILE A 69 -1.035 2.329 20.293 1.00 41.43 O ATOM 1037 CB ILE A 69 -1.804 4.999 18.882 1.00 60.24 C ATOM 1038 CG1 ILE A 69 -0.689 6.011 19.153 1.00 53.21 C ATOM 1039 CG2 ILE A 69 -2.961 5.661 18.149 1.00 73.32 C ATOM 1040 CD1 ILE A 69 -0.193 6.712 17.907 1.00 32.15 C ATOM 0 H ILE A 69 -2.544 6.355 20.839 1.00 24.35 H new ATOM 0 HA ILE A 69 -3.190 3.788 20.007 1.00 74.12 H new ATOM 0 HB ILE A 69 -1.404 4.207 18.249 1.00 60.24 H new ATOM 0 HG12 ILE A 69 -1.051 6.757 19.860 1.00 53.21 H new ATOM 0 HG13 ILE A 69 0.147 5.499 19.629 1.00 53.21 H new ATOM 0 HG21 ILE A 69 -2.600 6.098 17.218 1.00 73.32 H new ATOM 0 HG22 ILE A 69 -3.725 4.916 17.928 1.00 73.32 H new ATOM 0 HG23 ILE A 69 -3.388 6.444 18.775 1.00 73.32 H new ATOM 0 HD11 ILE A 69 0.596 7.415 18.175 1.00 32.15 H new ATOM 0 HD12 ILE A 69 0.199 5.975 17.207 1.00 32.15 H new ATOM 0 HD13 ILE A 69 -1.017 7.252 17.441 1.00 32.15 H new ATOM 1052 N LYS A 70 -0.466 3.955 21.740 1.00 20.52 N ATOM 1053 CA LYS A 70 0.606 3.182 22.357 1.00 51.10 C ATOM 1054 C LYS A 70 0.048 1.970 23.096 1.00 15.30 C ATOM 1055 O LYS A 70 0.490 0.843 22.880 1.00 64.32 O ATOM 1056 CB LYS A 70 1.403 4.060 23.324 1.00 24.23 C ATOM 1057 CG LYS A 70 2.658 4.657 22.711 1.00 60.35 C ATOM 1058 CD LYS A 70 3.883 3.811 23.013 1.00 65.44 C ATOM 1059 CE LYS A 70 3.840 2.483 22.272 1.00 64.10 C ATOM 1060 NZ LYS A 70 3.858 2.671 20.795 1.00 60.12 N ATOM 0 H LYS A 70 -0.591 4.889 22.131 1.00 20.52 H new ATOM 0 HA LYS A 70 1.268 2.829 21.566 1.00 51.10 H new ATOM 0 HB2 LYS A 70 0.763 4.868 23.680 1.00 24.23 H new ATOM 0 HB3 LYS A 70 1.681 3.467 24.195 1.00 24.23 H new ATOM 0 HG2 LYS A 70 2.531 4.743 21.632 1.00 60.35 H new ATOM 0 HG3 LYS A 70 2.808 5.666 23.096 1.00 60.35 H new ATOM 0 HD2 LYS A 70 4.783 4.358 22.730 1.00 65.44 H new ATOM 0 HD3 LYS A 70 3.945 3.628 24.086 1.00 65.44 H new ATOM 0 HE2 LYS A 70 4.692 1.873 22.571 1.00 64.10 H new ATOM 0 HE3 LYS A 70 2.941 1.937 22.558 1.00 64.10 H new ATOM 0 HZ1 LYS A 70 2.947 2.368 20.395 1.00 60.12 H new ATOM 0 HZ2 LYS A 70 4.016 3.675 20.575 1.00 60.12 H new ATOM 0 HZ3 LYS A 70 4.624 2.101 20.382 1.00 60.12 H new ATOM 1074 N GLN A 71 -0.927 2.211 23.967 1.00 52.32 N ATOM 1075 CA GLN A 71 -1.546 1.138 24.736 1.00 1.55 C ATOM 1076 C GLN A 71 -2.744 0.556 23.994 1.00 41.54 C ATOM 1077 O GLN A 71 -3.211 -0.538 24.310 1.00 41.21 O ATOM 1078 CB GLN A 71 -1.983 1.653 26.109 1.00 2.40 C ATOM 1079 CG GLN A 71 -0.832 2.163 26.962 1.00 34.53 C ATOM 1080 CD GLN A 71 -0.181 1.064 27.779 1.00 65.04 C ATOM 1081 OE1 GLN A 71 0.321 0.082 27.231 1.00 72.23 O ATOM 1082 NE2 GLN A 71 -0.184 1.224 29.097 1.00 42.22 N ATOM 0 H GLN A 71 -1.305 3.139 24.157 1.00 52.32 H new ATOM 0 HA GLN A 71 -0.807 0.348 24.870 1.00 1.55 H new ATOM 0 HB2 GLN A 71 -2.707 2.456 25.973 1.00 2.40 H new ATOM 0 HB3 GLN A 71 -2.493 0.851 26.643 1.00 2.40 H new ATOM 0 HG2 GLN A 71 -0.083 2.624 26.318 1.00 34.53 H new ATOM 0 HG3 GLN A 71 -1.198 2.941 27.632 1.00 34.53 H new ATOM 0 HE21 GLN A 71 -0.611 2.053 29.509 1.00 42.22 H new ATOM 0 HE22 GLN A 71 0.241 0.517 29.697 1.00 42.22 H new ATOM 1091 N ARG A 72 -3.237 1.295 23.005 1.00 1.51 N ATOM 1092 CA ARG A 72 -4.382 0.853 22.218 1.00 2.23 C ATOM 1093 C ARG A 72 -3.943 -0.095 21.106 1.00 54.10 C ATOM 1094 O ARG A 72 -4.343 -1.259 21.075 1.00 23.51 O ATOM 1095 CB ARG A 72 -5.111 2.057 21.619 1.00 74.21 C ATOM 1096 CG ARG A 72 -5.924 2.844 22.634 1.00 3.12 C ATOM 1097 CD ARG A 72 -7.404 2.839 22.287 1.00 12.43 C ATOM 1098 NE ARG A 72 -8.246 2.795 23.480 1.00 22.31 N ATOM 1099 CZ ARG A 72 -8.373 1.720 24.250 1.00 23.21 C ATOM 1100 NH1 ARG A 72 -7.716 0.607 23.954 1.00 62.20 N ATOM 1101 NH2 ARG A 72 -9.158 1.757 25.319 1.00 4.03 N ATOM 0 H ARG A 72 -2.861 2.202 22.730 1.00 1.51 H new ATOM 0 HA ARG A 72 -5.063 0.318 22.880 1.00 2.23 H new ATOM 0 HB2 ARG A 72 -4.380 2.721 21.158 1.00 74.21 H new ATOM 0 HB3 ARG A 72 -5.773 1.712 20.825 1.00 74.21 H new ATOM 0 HG2 ARG A 72 -5.781 2.417 23.627 1.00 3.12 H new ATOM 0 HG3 ARG A 72 -5.562 3.871 22.674 1.00 3.12 H new ATOM 0 HD2 ARG A 72 -7.643 3.730 21.707 1.00 12.43 H new ATOM 0 HD3 ARG A 72 -7.625 1.979 21.655 1.00 12.43 H new ATOM 0 HE ARG A 72 -8.765 3.635 23.736 1.00 22.31 H new ATOM 0 HH11 ARG A 72 -7.111 0.575 23.133 1.00 62.20 H new ATOM 0 HH12 ARG A 72 -7.815 -0.217 24.547 1.00 62.20 H new ATOM 0 HH21 ARG A 72 -9.665 2.611 25.550 1.00 4.03 H new ATOM 0 HH22 ARG A 72 -9.255 0.931 25.910 1.00 4.03 H new ATOM 1115 N HIS A 73 -3.120 0.412 20.194 1.00 72.15 N ATOM 1116 CA HIS A 73 -2.627 -0.390 19.079 1.00 14.31 C ATOM 1117 C HIS A 73 -1.240 0.076 18.646 1.00 34.04 C ATOM 1118 O HIS A 73 -1.068 0.705 17.602 1.00 1.12 O ATOM 1119 CB HIS A 73 -3.596 -0.311 17.899 1.00 40.53 C ATOM 1120 CG HIS A 73 -4.494 0.887 17.940 1.00 11.33 C ATOM 1121 ND1 HIS A 73 -5.866 0.796 18.046 1.00 1.13 N ATOM 1122 CD2 HIS A 73 -4.209 2.210 17.891 1.00 32.42 C ATOM 1123 CE1 HIS A 73 -6.386 2.010 18.059 1.00 51.32 C ATOM 1124 NE2 HIS A 73 -5.402 2.886 17.966 1.00 2.24 N ATOM 0 H HIS A 73 -2.780 1.374 20.205 1.00 72.15 H new ATOM 0 HA HIS A 73 -2.555 -1.425 19.412 1.00 14.31 H new ATOM 0 HB2 HIS A 73 -3.025 -0.295 16.971 1.00 40.53 H new ATOM 0 HB3 HIS A 73 -4.208 -1.213 17.881 1.00 40.53 H new ATOM 0 HD1 HIS A 73 -6.396 -0.073 18.105 1.00 1.13 H new ATOM 0 HD2 HIS A 73 -3.227 2.651 17.808 1.00 32.42 H new ATOM 0 HE1 HIS A 73 -7.437 2.246 18.133 1.00 51.32 H new ATOM 1132 N PRO A 74 -0.227 -0.238 19.467 1.00 32.51 N ATOM 1133 CA PRO A 74 1.162 0.138 19.190 1.00 1.30 C ATOM 1134 C PRO A 74 1.748 -0.633 18.012 1.00 11.40 C ATOM 1135 O PRO A 74 2.874 -0.374 17.587 1.00 33.25 O ATOM 1136 CB PRO A 74 1.893 -0.226 20.484 1.00 24.24 C ATOM 1137 CG PRO A 74 1.064 -1.300 21.099 1.00 75.12 C ATOM 1138 CD PRO A 74 -0.360 -0.987 20.729 1.00 43.54 C ATOM 0 HA PRO A 74 1.252 1.189 18.914 1.00 1.30 H new ATOM 0 HB2 PRO A 74 2.906 -0.575 20.282 1.00 24.24 H new ATOM 0 HB3 PRO A 74 1.979 0.636 21.146 1.00 24.24 H new ATOM 0 HG2 PRO A 74 1.357 -2.281 20.726 1.00 75.12 H new ATOM 0 HG3 PRO A 74 1.191 -1.319 22.181 1.00 75.12 H new ATOM 0 HD2 PRO A 74 -0.950 -1.894 20.598 1.00 43.54 H new ATOM 0 HD3 PRO A 74 -0.854 -0.394 21.498 1.00 43.54 H new ATOM 1146 N MET A 75 0.977 -1.580 17.488 1.00 15.42 N ATOM 1147 CA MET A 75 1.420 -2.387 16.357 1.00 14.23 C ATOM 1148 C MET A 75 1.566 -1.531 15.103 1.00 62.30 C ATOM 1149 O MET A 75 2.167 -1.957 14.116 1.00 45.12 O ATOM 1150 CB MET A 75 0.432 -3.527 16.099 1.00 42.41 C ATOM 1151 CG MET A 75 1.089 -4.896 16.031 1.00 11.24 C ATOM 1152 SD MET A 75 0.695 -5.781 14.510 1.00 1.35 S ATOM 1153 CE MET A 75 2.165 -5.456 13.539 1.00 13.55 C ATOM 0 H MET A 75 0.043 -1.807 17.828 1.00 15.42 H new ATOM 0 HA MET A 75 2.394 -2.809 16.603 1.00 14.23 H new ATOM 0 HB2 MET A 75 -0.319 -3.532 16.889 1.00 42.41 H new ATOM 0 HB3 MET A 75 -0.092 -3.338 15.162 1.00 42.41 H new ATOM 0 HG2 MET A 75 2.170 -4.780 16.110 1.00 11.24 H new ATOM 0 HG3 MET A 75 0.769 -5.491 16.886 1.00 11.24 H new ATOM 0 HE1 MET A 75 1.913 -5.477 12.479 1.00 13.55 H new ATOM 0 HE2 MET A 75 2.563 -4.475 13.798 1.00 13.55 H new ATOM 0 HE3 MET A 75 2.915 -6.218 13.748 1.00 13.55 H new ATOM 1163 N LEU A 76 1.013 -0.324 15.148 1.00 63.33 N ATOM 1164 CA LEU A 76 1.082 0.591 14.014 1.00 5.42 C ATOM 1165 C LEU A 76 2.201 1.611 14.205 1.00 63.51 C ATOM 1166 O LEU A 76 2.460 2.085 15.311 1.00 51.41 O ATOM 1167 CB LEU A 76 -0.254 1.313 13.834 1.00 74.44 C ATOM 1168 CG LEU A 76 -0.484 2.534 14.724 1.00 1.05 C ATOM 1169 CD1 LEU A 76 -0.339 3.816 13.920 1.00 43.31 C ATOM 1170 CD2 LEU A 76 -1.855 2.466 15.380 1.00 75.10 C ATOM 0 H LEU A 76 0.512 0.044 15.957 1.00 63.33 H new ATOM 0 HA LEU A 76 1.296 0.006 13.119 1.00 5.42 H new ATOM 0 HB2 LEU A 76 -0.337 1.627 12.793 1.00 74.44 H new ATOM 0 HB3 LEU A 76 -1.057 0.599 14.017 1.00 74.44 H new ATOM 0 HG LEU A 76 0.272 2.534 15.509 1.00 1.05 H new ATOM 0 HD11 LEU A 76 -0.506 4.674 14.571 1.00 43.31 H new ATOM 0 HD12 LEU A 76 0.665 3.870 13.499 1.00 43.31 H new ATOM 0 HD13 LEU A 76 -1.072 3.824 13.113 1.00 43.31 H new ATOM 0 HD21 LEU A 76 -2.001 3.344 16.010 1.00 75.10 H new ATOM 0 HD22 LEU A 76 -2.626 2.440 14.610 1.00 75.10 H new ATOM 0 HD23 LEU A 76 -1.922 1.566 15.991 1.00 75.10 H new ATOM 1182 N PRO A 77 2.881 1.957 13.101 1.00 15.35 N ATOM 1183 CA PRO A 77 3.981 2.926 13.121 1.00 72.21 C ATOM 1184 C PRO A 77 3.497 4.347 13.389 1.00 64.03 C ATOM 1185 O PRO A 77 2.368 4.703 13.052 1.00 1.12 O ATOM 1186 CB PRO A 77 4.573 2.819 11.713 1.00 34.43 C ATOM 1187 CG PRO A 77 3.450 2.327 10.867 1.00 54.44 C ATOM 1188 CD PRO A 77 2.626 1.431 11.750 1.00 44.11 C ATOM 0 HA PRO A 77 4.696 2.715 13.916 1.00 72.21 H new ATOM 0 HB2 PRO A 77 4.939 3.784 11.363 1.00 34.43 H new ATOM 0 HB3 PRO A 77 5.418 2.130 11.690 1.00 34.43 H new ATOM 0 HG2 PRO A 77 2.854 3.157 10.489 1.00 54.44 H new ATOM 0 HG3 PRO A 77 3.824 1.783 10.000 1.00 54.44 H new ATOM 0 HD2 PRO A 77 1.568 1.477 11.494 1.00 44.11 H new ATOM 0 HD3 PRO A 77 2.930 0.388 11.661 1.00 44.11 H new ATOM 1196 N VAL A 78 4.360 5.156 13.996 1.00 31.00 N ATOM 1197 CA VAL A 78 4.021 6.539 14.308 1.00 41.44 C ATOM 1198 C VAL A 78 5.244 7.443 14.196 1.00 51.10 C ATOM 1199 O VAL A 78 6.374 7.005 14.414 1.00 52.00 O ATOM 1200 CB VAL A 78 3.430 6.667 15.724 1.00 55.21 C ATOM 1201 CG1 VAL A 78 2.923 8.081 15.966 1.00 44.01 C ATOM 1202 CG2 VAL A 78 2.316 5.651 15.929 1.00 3.05 C ATOM 0 H VAL A 78 5.299 4.877 14.281 1.00 31.00 H new ATOM 0 HA VAL A 78 3.272 6.853 13.581 1.00 41.44 H new ATOM 0 HB VAL A 78 4.218 6.461 16.448 1.00 55.21 H new ATOM 0 HG11 VAL A 78 2.509 8.152 16.972 1.00 44.01 H new ATOM 0 HG12 VAL A 78 3.748 8.786 15.863 1.00 44.01 H new ATOM 0 HG13 VAL A 78 2.148 8.319 15.237 1.00 44.01 H new ATOM 0 HG21 VAL A 78 1.909 5.755 16.935 1.00 3.05 H new ATOM 0 HG22 VAL A 78 1.526 5.825 15.198 1.00 3.05 H new ATOM 0 HG23 VAL A 78 2.714 4.644 15.801 1.00 3.05 H new ATOM 1212 N ILE A 79 5.010 8.706 13.856 1.00 42.13 N ATOM 1213 CA ILE A 79 6.093 9.672 13.717 1.00 52.12 C ATOM 1214 C ILE A 79 5.853 10.896 14.594 1.00 2.11 C ATOM 1215 O ILE A 79 4.724 11.371 14.719 1.00 30.15 O ATOM 1216 CB ILE A 79 6.257 10.127 12.255 1.00 64.24 C ATOM 1217 CG1 ILE A 79 6.496 8.919 11.346 1.00 44.21 C ATOM 1218 CG2 ILE A 79 7.402 11.121 12.135 1.00 45.40 C ATOM 1219 CD1 ILE A 79 6.352 9.233 9.873 1.00 12.13 C ATOM 0 H ILE A 79 4.081 9.084 13.672 1.00 42.13 H new ATOM 0 HA ILE A 79 7.006 9.171 14.038 1.00 52.12 H new ATOM 0 HB ILE A 79 5.338 10.621 11.938 1.00 64.24 H new ATOM 0 HG12 ILE A 79 7.497 8.529 11.530 1.00 44.21 H new ATOM 0 HG13 ILE A 79 5.792 8.130 11.611 1.00 44.21 H new ATOM 0 HG21 ILE A 79 7.505 11.433 11.096 1.00 45.40 H new ATOM 0 HG22 ILE A 79 7.194 11.992 12.757 1.00 45.40 H new ATOM 0 HG23 ILE A 79 8.328 10.651 12.466 1.00 45.40 H new ATOM 0 HD11 ILE A 79 6.535 8.331 9.289 1.00 12.13 H new ATOM 0 HD12 ILE A 79 5.343 9.595 9.675 1.00 12.13 H new ATOM 0 HD13 ILE A 79 7.074 10.000 9.592 1.00 12.13 H new ATOM 1231 N ILE A 80 6.923 11.403 15.198 1.00 52.13 N ATOM 1232 CA ILE A 80 6.829 12.574 16.061 1.00 62.11 C ATOM 1233 C ILE A 80 7.178 13.848 15.299 1.00 24.21 C ATOM 1234 O ILE A 80 8.141 13.881 14.533 1.00 72.42 O ATOM 1235 CB ILE A 80 7.759 12.448 17.282 1.00 13.55 C ATOM 1236 CG1 ILE A 80 7.604 11.071 17.929 1.00 34.44 C ATOM 1237 CG2 ILE A 80 7.461 13.549 18.290 1.00 51.12 C ATOM 1238 CD1 ILE A 80 6.188 10.764 18.366 1.00 22.20 C ATOM 0 H ILE A 80 7.864 11.021 15.106 1.00 52.13 H new ATOM 0 HA ILE A 80 5.796 12.631 16.405 1.00 62.11 H new ATOM 0 HB ILE A 80 8.791 12.557 16.947 1.00 13.55 H new ATOM 0 HG12 ILE A 80 7.931 10.308 17.223 1.00 34.44 H new ATOM 0 HG13 ILE A 80 8.264 11.009 18.794 1.00 34.44 H new ATOM 0 HG21 ILE A 80 8.126 13.447 19.148 1.00 51.12 H new ATOM 0 HG22 ILE A 80 7.617 14.522 17.823 1.00 51.12 H new ATOM 0 HG23 ILE A 80 6.426 13.468 18.622 1.00 51.12 H new ATOM 0 HD11 ILE A 80 6.153 9.772 18.816 1.00 22.20 H new ATOM 0 HD12 ILE A 80 5.864 11.505 19.096 1.00 22.20 H new ATOM 0 HD13 ILE A 80 5.526 10.794 17.501 1.00 22.20 H new ATOM 1250 N MET A 81 6.391 14.896 15.517 1.00 74.31 N ATOM 1251 CA MET A 81 6.619 16.174 14.853 1.00 73.12 C ATOM 1252 C MET A 81 6.392 17.335 15.816 1.00 72.03 C ATOM 1253 O MET A 81 5.314 17.473 16.396 1.00 42.01 O ATOM 1254 CB MET A 81 5.697 16.314 13.640 1.00 51.41 C ATOM 1255 CG MET A 81 5.682 17.714 13.047 1.00 72.00 C ATOM 1256 SD MET A 81 4.078 18.521 13.213 1.00 40.24 S ATOM 1257 CE MET A 81 3.086 17.537 12.092 1.00 23.10 C ATOM 0 H MET A 81 5.590 14.886 16.148 1.00 74.31 H new ATOM 0 HA MET A 81 7.656 16.201 14.517 1.00 73.12 H new ATOM 0 HB2 MET A 81 6.010 15.606 12.872 1.00 51.41 H new ATOM 0 HB3 MET A 81 4.683 16.041 13.931 1.00 51.41 H new ATOM 0 HG2 MET A 81 6.442 18.321 13.539 1.00 72.00 H new ATOM 0 HG3 MET A 81 5.950 17.660 11.992 1.00 72.00 H new ATOM 0 HE1 MET A 81 2.610 18.189 11.359 1.00 23.10 H new ATOM 0 HE2 MET A 81 3.723 16.818 11.578 1.00 23.10 H new ATOM 0 HE3 MET A 81 2.320 17.005 12.656 1.00 23.10 H new ATOM 1267 N THR A 82 7.414 18.169 15.982 1.00 20.42 N ATOM 1268 CA THR A 82 7.326 19.317 16.876 1.00 64.52 C ATOM 1269 C THR A 82 8.598 20.156 16.819 1.00 32.42 C ATOM 1270 O THR A 82 9.457 19.940 15.965 1.00 3.33 O ATOM 1271 CB THR A 82 7.079 18.878 18.331 1.00 32.24 C ATOM 1272 OG1 THR A 82 6.648 19.997 19.114 1.00 74.12 O ATOM 1273 CG2 THR A 82 8.340 18.283 18.939 1.00 2.45 C ATOM 0 H THR A 82 8.312 18.071 15.509 1.00 20.42 H new ATOM 0 HA THR A 82 6.482 19.918 16.538 1.00 64.52 H new ATOM 0 HB THR A 82 6.301 18.115 18.329 1.00 32.24 H new ATOM 0 HG1 THR A 82 7.186 20.051 19.932 1.00 74.12 H new ATOM 0 HG21 THR A 82 8.140 17.980 19.967 1.00 2.45 H new ATOM 0 HG22 THR A 82 8.649 17.414 18.358 1.00 2.45 H new ATOM 0 HG23 THR A 82 9.136 19.028 18.928 1.00 2.45 H new ATOM 1281 N ALA A 83 8.711 21.112 17.735 1.00 51.54 N ATOM 1282 CA ALA A 83 9.879 21.982 17.790 1.00 3.21 C ATOM 1283 C ALA A 83 10.716 21.699 19.033 1.00 13.34 C ATOM 1284 O ALA A 83 10.513 20.694 19.715 1.00 14.00 O ATOM 1285 CB ALA A 83 9.452 23.442 17.760 1.00 43.31 C ATOM 0 H ALA A 83 8.008 21.304 18.449 1.00 51.54 H new ATOM 0 HA ALA A 83 10.495 21.777 16.914 1.00 3.21 H new ATOM 0 HB1 ALA A 83 10.335 24.080 17.802 1.00 43.31 H new ATOM 0 HB2 ALA A 83 8.903 23.642 16.840 1.00 43.31 H new ATOM 0 HB3 ALA A 83 8.812 23.652 18.617 1.00 43.31 H new ATOM 1291 N HIS A 84 11.657 22.592 19.323 1.00 25.41 N ATOM 1292 CA HIS A 84 12.525 22.437 20.485 1.00 3.32 C ATOM 1293 C HIS A 84 11.705 22.168 21.744 1.00 45.44 C ATOM 1294 O HIS A 84 12.172 21.505 22.670 1.00 53.21 O ATOM 1295 CB HIS A 84 13.382 23.689 20.678 1.00 31.13 C ATOM 1296 CG HIS A 84 12.593 24.899 21.075 1.00 24.11 C ATOM 1297 ND1 HIS A 84 12.830 25.604 22.236 1.00 4.20 N ATOM 1298 CD2 HIS A 84 11.567 25.529 20.457 1.00 44.04 C ATOM 1299 CE1 HIS A 84 11.983 26.615 22.315 1.00 22.34 C ATOM 1300 NE2 HIS A 84 11.206 26.592 21.248 1.00 61.24 N ATOM 0 H HIS A 84 11.838 23.430 18.770 1.00 25.41 H new ATOM 0 HA HIS A 84 13.178 21.582 20.309 1.00 3.32 H new ATOM 0 HB2 HIS A 84 14.135 23.490 21.441 1.00 31.13 H new ATOM 0 HB3 HIS A 84 13.915 23.901 19.751 1.00 31.13 H new ATOM 0 HD2 HIS A 84 11.116 25.248 19.517 1.00 44.04 H new ATOM 0 HE1 HIS A 84 11.935 27.337 23.116 1.00 22.34 H new ATOM 0 HE2 HIS A 84 10.459 27.256 21.044 1.00 61.24 H new ATOM 1308 N SER A 85 10.482 22.688 21.770 1.00 44.34 N ATOM 1309 CA SER A 85 9.600 22.508 22.916 1.00 15.10 C ATOM 1310 C SER A 85 9.168 21.050 23.046 1.00 41.53 C ATOM 1311 O SER A 85 8.716 20.437 22.079 1.00 51.12 O ATOM 1312 CB SER A 85 8.368 23.406 22.784 1.00 2.54 C ATOM 1313 OG SER A 85 8.695 24.630 22.150 1.00 44.45 O ATOM 0 H SER A 85 10.080 23.237 21.010 1.00 44.34 H new ATOM 0 HA SER A 85 10.151 22.787 23.814 1.00 15.10 H new ATOM 0 HB2 SER A 85 7.598 22.890 22.211 1.00 2.54 H new ATOM 0 HB3 SER A 85 7.951 23.604 23.771 1.00 2.54 H new ATOM 0 HG SER A 85 8.347 25.377 22.681 1.00 44.45 H new ATOM 1319 N ASP A 86 9.312 20.503 24.247 1.00 35.53 N ATOM 1320 CA ASP A 86 8.936 19.117 24.506 1.00 42.23 C ATOM 1321 C ASP A 86 9.792 18.160 23.682 1.00 74.21 C ATOM 1322 O ASP A 86 9.428 17.000 23.482 1.00 33.05 O ATOM 1323 CB ASP A 86 7.456 18.900 24.188 1.00 31.14 C ATOM 1324 CG ASP A 86 6.600 18.829 25.438 1.00 23.10 C ATOM 1325 OD1 ASP A 86 6.537 19.837 26.172 1.00 2.34 O ATOM 1326 OD2 ASP A 86 5.993 17.765 25.681 1.00 2.32 O ATOM 0 H ASP A 86 9.686 20.997 25.057 1.00 35.53 H new ATOM 0 HA ASP A 86 9.106 18.911 25.563 1.00 42.23 H new ATOM 0 HB2 ASP A 86 7.101 19.712 23.553 1.00 31.14 H new ATOM 0 HB3 ASP A 86 7.341 17.977 23.619 1.00 31.14 H new ATOM 1331 N LEU A 87 10.929 18.653 23.205 1.00 62.53 N ATOM 1332 CA LEU A 87 11.837 17.841 22.401 1.00 51.11 C ATOM 1333 C LEU A 87 12.302 16.613 23.177 1.00 10.33 C ATOM 1334 O LEU A 87 12.757 15.631 22.591 1.00 52.14 O ATOM 1335 CB LEU A 87 13.046 18.672 21.966 1.00 33.32 C ATOM 1336 CG LEU A 87 14.260 17.883 21.475 1.00 40.35 C ATOM 1337 CD1 LEU A 87 13.900 17.057 20.249 1.00 11.53 C ATOM 1338 CD2 LEU A 87 15.417 18.823 21.166 1.00 75.14 C ATOM 0 H LEU A 87 11.245 19.610 23.360 1.00 62.53 H new ATOM 0 HA LEU A 87 11.297 17.505 21.516 1.00 51.11 H new ATOM 0 HB2 LEU A 87 12.731 19.347 21.171 1.00 33.32 H new ATOM 0 HB3 LEU A 87 13.357 19.293 22.806 1.00 33.32 H new ATOM 0 HG LEU A 87 14.572 17.202 22.267 1.00 40.35 H new ATOM 0 HD11 LEU A 87 14.776 16.502 19.914 1.00 11.53 H new ATOM 0 HD12 LEU A 87 13.103 16.358 20.503 1.00 11.53 H new ATOM 0 HD13 LEU A 87 13.562 17.718 19.451 1.00 11.53 H new ATOM 0 HD21 LEU A 87 16.273 18.245 20.818 1.00 75.14 H new ATOM 0 HD22 LEU A 87 15.116 19.528 20.391 1.00 75.14 H new ATOM 0 HD23 LEU A 87 15.692 19.370 22.068 1.00 75.14 H new ATOM 1350 N ASP A 88 12.183 16.675 24.499 1.00 52.41 N ATOM 1351 CA ASP A 88 12.588 15.567 25.356 1.00 12.30 C ATOM 1352 C ASP A 88 11.892 14.275 24.939 1.00 11.32 C ATOM 1353 O ASP A 88 12.418 13.182 25.143 1.00 61.32 O ATOM 1354 CB ASP A 88 12.270 15.883 26.818 1.00 3.34 C ATOM 1355 CG ASP A 88 13.462 16.460 27.558 1.00 34.50 C ATOM 1356 OD1 ASP A 88 13.648 17.693 27.512 1.00 51.31 O ATOM 1357 OD2 ASP A 88 14.208 15.677 28.182 1.00 22.34 O ATOM 0 H ASP A 88 11.809 17.481 25.000 1.00 52.41 H new ATOM 0 HA ASP A 88 13.664 15.430 25.247 1.00 12.30 H new ATOM 0 HB2 ASP A 88 11.442 16.590 26.862 1.00 3.34 H new ATOM 0 HB3 ASP A 88 11.940 14.973 27.320 1.00 3.34 H new ATOM 1362 N ALA A 89 10.705 14.410 24.356 1.00 44.03 N ATOM 1363 CA ALA A 89 9.938 13.254 23.910 1.00 71.15 C ATOM 1364 C ALA A 89 10.657 12.519 22.783 1.00 13.30 C ATOM 1365 O ALA A 89 10.401 11.342 22.535 1.00 74.42 O ATOM 1366 CB ALA A 89 8.549 13.684 23.460 1.00 23.22 C ATOM 0 H ALA A 89 10.254 15.308 24.182 1.00 44.03 H new ATOM 0 HA ALA A 89 9.840 12.568 24.751 1.00 71.15 H new ATOM 0 HB1 ALA A 89 7.987 12.811 23.129 1.00 23.22 H new ATOM 0 HB2 ALA A 89 8.027 14.158 24.292 1.00 23.22 H new ATOM 0 HB3 ALA A 89 8.636 14.392 22.636 1.00 23.22 H new ATOM 1372 N ALA A 90 11.557 13.223 22.104 1.00 71.31 N ATOM 1373 CA ALA A 90 12.313 12.636 21.005 1.00 45.54 C ATOM 1374 C ALA A 90 13.048 11.378 21.454 1.00 44.14 C ATOM 1375 O ALA A 90 13.137 10.400 20.711 1.00 42.43 O ATOM 1376 CB ALA A 90 13.297 13.651 20.440 1.00 13.34 C ATOM 0 H ALA A 90 11.780 14.200 22.296 1.00 71.31 H new ATOM 0 HA ALA A 90 11.609 12.354 20.222 1.00 45.54 H new ATOM 0 HB1 ALA A 90 13.855 13.199 19.620 1.00 13.34 H new ATOM 0 HB2 ALA A 90 12.752 14.521 20.073 1.00 13.34 H new ATOM 0 HB3 ALA A 90 13.990 13.961 21.223 1.00 13.34 H new ATOM 1382 N VAL A 91 13.575 11.409 22.674 1.00 52.22 N ATOM 1383 CA VAL A 91 14.302 10.271 23.222 1.00 61.30 C ATOM 1384 C VAL A 91 13.358 9.116 23.537 1.00 21.22 C ATOM 1385 O VAL A 91 13.516 8.012 23.016 1.00 75.12 O ATOM 1386 CB VAL A 91 15.068 10.657 24.501 1.00 10.12 C ATOM 1387 CG1 VAL A 91 15.988 9.526 24.935 1.00 34.04 C ATOM 1388 CG2 VAL A 91 15.854 11.941 24.284 1.00 64.14 C ATOM 0 H VAL A 91 13.512 12.211 23.302 1.00 52.22 H new ATOM 0 HA VAL A 91 15.016 9.956 22.461 1.00 61.30 H new ATOM 0 HB VAL A 91 14.345 10.831 25.298 1.00 10.12 H new ATOM 0 HG11 VAL A 91 16.521 9.817 25.840 1.00 34.04 H new ATOM 0 HG12 VAL A 91 15.397 8.632 25.134 1.00 34.04 H new ATOM 0 HG13 VAL A 91 16.707 9.317 24.143 1.00 34.04 H new ATOM 0 HG21 VAL A 91 16.389 12.199 25.198 1.00 64.14 H new ATOM 0 HG22 VAL A 91 16.568 11.798 23.473 1.00 64.14 H new ATOM 0 HG23 VAL A 91 15.168 12.748 24.025 1.00 64.14 H new ATOM 1398 N SER A 92 12.376 9.378 24.394 1.00 42.12 N ATOM 1399 CA SER A 92 11.408 8.359 24.782 1.00 54.44 C ATOM 1400 C SER A 92 10.697 7.791 23.557 1.00 65.31 C ATOM 1401 O SER A 92 10.198 6.666 23.582 1.00 43.22 O ATOM 1402 CB SER A 92 10.382 8.945 25.754 1.00 32.20 C ATOM 1403 OG SER A 92 10.996 9.334 26.970 1.00 3.41 O ATOM 0 H SER A 92 12.230 10.287 24.833 1.00 42.12 H new ATOM 0 HA SER A 92 11.947 7.550 25.276 1.00 54.44 H new ATOM 0 HB2 SER A 92 9.894 9.806 25.297 1.00 32.20 H new ATOM 0 HB3 SER A 92 9.605 8.208 25.955 1.00 32.20 H new ATOM 0 HG SER A 92 10.320 9.707 27.573 1.00 3.41 H new ATOM 1409 N ALA A 93 10.657 8.577 22.486 1.00 33.02 N ATOM 1410 CA ALA A 93 10.010 8.152 21.251 1.00 40.41 C ATOM 1411 C ALA A 93 10.651 6.881 20.705 1.00 74.21 C ATOM 1412 O ALA A 93 9.957 5.927 20.352 1.00 72.14 O ATOM 1413 CB ALA A 93 10.072 9.264 20.214 1.00 73.02 C ATOM 0 H ALA A 93 11.065 9.511 22.449 1.00 33.02 H new ATOM 0 HA ALA A 93 8.965 7.934 21.473 1.00 40.41 H new ATOM 0 HB1 ALA A 93 9.585 8.933 19.296 1.00 73.02 H new ATOM 0 HB2 ALA A 93 9.562 10.148 20.597 1.00 73.02 H new ATOM 0 HB3 ALA A 93 11.113 9.508 20.004 1.00 73.02 H new ATOM 1419 N TYR A 94 11.977 6.874 20.638 1.00 42.11 N ATOM 1420 CA TYR A 94 12.711 5.720 20.132 1.00 41.44 C ATOM 1421 C TYR A 94 12.619 4.547 21.102 1.00 13.14 C ATOM 1422 O TYR A 94 12.707 3.387 20.701 1.00 42.35 O ATOM 1423 CB TYR A 94 14.177 6.086 19.894 1.00 2.24 C ATOM 1424 CG TYR A 94 14.371 7.164 18.852 1.00 3.53 C ATOM 1425 CD1 TYR A 94 13.893 7.001 17.558 1.00 12.10 C ATOM 1426 CD2 TYR A 94 15.034 8.346 19.161 1.00 32.14 C ATOM 1427 CE1 TYR A 94 14.068 7.983 16.602 1.00 3.13 C ATOM 1428 CE2 TYR A 94 15.213 9.334 18.213 1.00 75.14 C ATOM 1429 CZ TYR A 94 14.728 9.148 16.935 1.00 63.24 C ATOM 1430 OH TYR A 94 14.906 10.129 15.986 1.00 14.02 O ATOM 0 H TYR A 94 12.566 7.655 20.928 1.00 42.11 H new ATOM 0 HA TYR A 94 12.260 5.421 19.186 1.00 41.44 H new ATOM 0 HB2 TYR A 94 14.617 6.418 20.834 1.00 2.24 H new ATOM 0 HB3 TYR A 94 14.720 5.193 19.586 1.00 2.24 H new ATOM 0 HD1 TYR A 94 13.375 6.090 17.295 1.00 12.10 H new ATOM 0 HD2 TYR A 94 15.416 8.494 20.160 1.00 32.14 H new ATOM 0 HE1 TYR A 94 13.691 7.840 15.600 1.00 3.13 H new ATOM 0 HE2 TYR A 94 15.730 10.247 18.471 1.00 75.14 H new ATOM 0 HH TYR A 94 15.388 10.884 16.383 1.00 14.02 H new ATOM 1440 N GLN A 95 12.440 4.859 22.382 1.00 54.01 N ATOM 1441 CA GLN A 95 12.335 3.831 23.411 1.00 40.22 C ATOM 1442 C GLN A 95 11.214 2.849 23.087 1.00 1.02 C ATOM 1443 O GLN A 95 11.379 1.637 23.226 1.00 3.40 O ATOM 1444 CB GLN A 95 12.089 4.472 24.778 1.00 22.51 C ATOM 1445 CG GLN A 95 13.263 4.335 25.734 1.00 63.30 C ATOM 1446 CD GLN A 95 12.826 4.190 27.178 1.00 21.33 C ATOM 1447 OE1 GLN A 95 12.374 3.124 27.598 1.00 21.01 O ATOM 1448 NE2 GLN A 95 12.959 5.264 27.948 1.00 72.41 N ATOM 0 H GLN A 95 12.365 5.815 22.731 1.00 54.01 H new ATOM 0 HA GLN A 95 13.276 3.282 23.439 1.00 40.22 H new ATOM 0 HB2 GLN A 95 11.866 5.530 24.639 1.00 22.51 H new ATOM 0 HB3 GLN A 95 11.208 4.017 25.230 1.00 22.51 H new ATOM 0 HG2 GLN A 95 13.859 3.467 25.450 1.00 63.30 H new ATOM 0 HG3 GLN A 95 13.907 5.209 25.639 1.00 63.30 H new ATOM 0 HE21 GLN A 95 13.338 6.127 27.558 1.00 72.41 H new ATOM 0 HE22 GLN A 95 12.682 5.226 28.929 1.00 72.41 H new ATOM 1457 N GLN A 96 10.075 3.380 22.656 1.00 14.30 N ATOM 1458 CA GLN A 96 8.926 2.549 22.314 1.00 42.50 C ATOM 1459 C GLN A 96 9.069 1.976 20.908 1.00 31.31 C ATOM 1460 O GLN A 96 8.410 0.999 20.556 1.00 74.43 O ATOM 1461 CB GLN A 96 7.634 3.361 22.418 1.00 51.35 C ATOM 1462 CG GLN A 96 7.395 4.279 21.230 1.00 42.34 C ATOM 1463 CD GLN A 96 6.957 5.670 21.645 1.00 20.33 C ATOM 1464 OE1 GLN A 96 6.534 5.886 22.781 1.00 11.12 O ATOM 1465 NE2 GLN A 96 7.056 6.622 20.725 1.00 23.10 N ATOM 0 H GLN A 96 9.923 4.381 22.535 1.00 14.30 H new ATOM 0 HA GLN A 96 8.884 1.721 23.022 1.00 42.50 H new ATOM 0 HB2 GLN A 96 6.791 2.676 22.513 1.00 51.35 H new ATOM 0 HB3 GLN A 96 7.663 3.959 23.329 1.00 51.35 H new ATOM 0 HG2 GLN A 96 8.310 4.351 20.642 1.00 42.34 H new ATOM 0 HG3 GLN A 96 6.634 3.840 20.584 1.00 42.34 H new ATOM 0 HE21 GLN A 96 7.412 6.398 19.796 1.00 23.10 H new ATOM 0 HE22 GLN A 96 6.776 7.577 20.947 1.00 23.10 H new ATOM 1474 N GLY A 97 9.935 2.591 20.108 1.00 30.51 N ATOM 1475 CA GLY A 97 10.148 2.127 18.750 1.00 50.05 C ATOM 1476 C GLY A 97 9.756 3.163 17.715 1.00 11.42 C ATOM 1477 O GLY A 97 9.186 2.829 16.677 1.00 14.22 O ATOM 0 H GLY A 97 10.492 3.402 20.376 1.00 30.51 H new ATOM 0 HA2 GLY A 97 11.198 1.866 18.619 1.00 50.05 H new ATOM 0 HA3 GLY A 97 9.571 1.217 18.585 1.00 50.05 H new ATOM 1481 N ALA A 98 10.061 4.425 17.999 1.00 12.42 N ATOM 1482 CA ALA A 98 9.737 5.514 17.085 1.00 31.24 C ATOM 1483 C ALA A 98 10.284 5.239 15.689 1.00 43.42 C ATOM 1484 O ALA A 98 11.163 4.396 15.510 1.00 31.42 O ATOM 1485 CB ALA A 98 10.282 6.831 17.619 1.00 72.53 C ATOM 0 H ALA A 98 10.532 4.719 18.855 1.00 12.42 H new ATOM 0 HA ALA A 98 8.652 5.586 17.014 1.00 31.24 H new ATOM 0 HB1 ALA A 98 10.033 7.635 16.927 1.00 72.53 H new ATOM 0 HB2 ALA A 98 9.839 7.040 18.593 1.00 72.53 H new ATOM 0 HB3 ALA A 98 11.365 6.762 17.721 1.00 72.53 H new ATOM 1491 N PHE A 99 9.759 5.957 14.701 1.00 22.30 N ATOM 1492 CA PHE A 99 10.194 5.789 13.319 1.00 24.04 C ATOM 1493 C PHE A 99 11.187 6.879 12.926 1.00 53.24 C ATOM 1494 O PHE A 99 12.289 6.591 12.459 1.00 51.12 O ATOM 1495 CB PHE A 99 8.990 5.815 12.376 1.00 12.12 C ATOM 1496 CG PHE A 99 9.294 5.294 11.001 1.00 70.31 C ATOM 1497 CD1 PHE A 99 9.451 3.935 10.780 1.00 74.12 C ATOM 1498 CD2 PHE A 99 9.423 6.162 9.929 1.00 13.21 C ATOM 1499 CE1 PHE A 99 9.731 3.453 9.515 1.00 22.43 C ATOM 1500 CE2 PHE A 99 9.703 5.686 8.662 1.00 31.22 C ATOM 1501 CZ PHE A 99 9.856 4.329 8.455 1.00 23.00 C ATOM 0 H PHE A 99 9.032 6.660 14.832 1.00 22.30 H new ATOM 0 HA PHE A 99 10.690 4.822 13.235 1.00 24.04 H new ATOM 0 HB2 PHE A 99 8.185 5.222 12.811 1.00 12.12 H new ATOM 0 HB3 PHE A 99 8.624 6.839 12.295 1.00 12.12 H new ATOM 0 HD1 PHE A 99 9.354 3.245 11.605 1.00 74.12 H new ATOM 0 HD2 PHE A 99 9.303 7.224 10.085 1.00 13.21 H new ATOM 0 HE1 PHE A 99 9.852 2.392 9.356 1.00 22.43 H new ATOM 0 HE2 PHE A 99 9.802 6.374 7.835 1.00 31.22 H new ATOM 0 HZ PHE A 99 10.073 3.954 7.466 1.00 23.00 H new ATOM 1511 N ASP A 100 10.787 8.131 13.117 1.00 51.53 N ATOM 1512 CA ASP A 100 11.640 9.266 12.782 1.00 22.14 C ATOM 1513 C ASP A 100 11.085 10.557 13.375 1.00 14.03 C ATOM 1514 O ASP A 100 10.010 10.564 13.977 1.00 25.21 O ATOM 1515 CB ASP A 100 11.772 9.402 11.265 1.00 41.43 C ATOM 1516 CG ASP A 100 13.075 8.830 10.743 1.00 23.20 C ATOM 1517 OD1 ASP A 100 14.101 8.957 11.443 1.00 21.45 O ATOM 1518 OD2 ASP A 100 13.070 8.255 9.634 1.00 55.52 O ATOM 0 H ASP A 100 9.878 8.386 13.502 1.00 51.53 H new ATOM 0 HA ASP A 100 12.626 9.086 13.210 1.00 22.14 H new ATOM 0 HB2 ASP A 100 10.937 8.893 10.784 1.00 41.43 H new ATOM 0 HB3 ASP A 100 11.705 10.455 10.990 1.00 41.43 H new ATOM 1523 N TYR A 101 11.823 11.647 13.202 1.00 4.31 N ATOM 1524 CA TYR A 101 11.407 12.944 13.723 1.00 35.30 C ATOM 1525 C TYR A 101 11.313 13.976 12.604 1.00 45.23 C ATOM 1526 O TYR A 101 12.326 14.388 12.036 1.00 24.43 O ATOM 1527 CB TYR A 101 12.385 13.425 14.796 1.00 64.45 C ATOM 1528 CG TYR A 101 11.953 14.700 15.482 1.00 53.51 C ATOM 1529 CD1 TYR A 101 10.670 14.834 16.000 1.00 65.23 C ATOM 1530 CD2 TYR A 101 12.827 15.772 15.613 1.00 1.45 C ATOM 1531 CE1 TYR A 101 10.271 15.998 16.627 1.00 71.01 C ATOM 1532 CE2 TYR A 101 12.437 16.940 16.240 1.00 34.15 C ATOM 1533 CZ TYR A 101 11.157 17.048 16.745 1.00 64.00 C ATOM 1534 OH TYR A 101 10.764 18.209 17.370 1.00 34.23 O ATOM 0 H TYR A 101 12.713 11.659 12.705 1.00 4.31 H new ATOM 0 HA TYR A 101 10.419 12.828 14.169 1.00 35.30 H new ATOM 0 HB2 TYR A 101 12.503 12.642 15.545 1.00 64.45 H new ATOM 0 HB3 TYR A 101 13.363 13.581 14.340 1.00 64.45 H new ATOM 0 HD1 TYR A 101 9.973 14.014 15.911 1.00 65.23 H new ATOM 0 HD2 TYR A 101 13.829 15.691 15.218 1.00 1.45 H new ATOM 0 HE1 TYR A 101 9.270 16.085 17.023 1.00 71.01 H new ATOM 0 HE2 TYR A 101 13.130 17.763 16.334 1.00 34.15 H new ATOM 0 HH TYR A 101 10.623 18.910 16.700 1.00 34.23 H new ATOM 1544 N LEU A 102 10.091 14.392 12.291 1.00 31.44 N ATOM 1545 CA LEU A 102 9.863 15.377 11.240 1.00 0.33 C ATOM 1546 C LEU A 102 9.341 16.686 11.825 1.00 63.01 C ATOM 1547 O LEU A 102 8.154 17.001 11.744 1.00 72.14 O ATOM 1548 CB LEU A 102 8.871 14.834 10.211 1.00 74.21 C ATOM 1549 CG LEU A 102 8.803 15.586 8.881 1.00 2.24 C ATOM 1550 CD1 LEU A 102 10.140 15.515 8.160 1.00 51.34 C ATOM 1551 CD2 LEU A 102 7.692 15.024 8.006 1.00 1.44 C ATOM 0 H LEU A 102 9.242 14.062 12.750 1.00 31.44 H new ATOM 0 HA LEU A 102 10.815 15.574 10.748 1.00 0.33 H new ATOM 0 HB2 LEU A 102 9.125 13.794 10.005 1.00 74.21 H new ATOM 0 HB3 LEU A 102 7.877 14.837 10.658 1.00 74.21 H new ATOM 0 HG LEU A 102 8.580 16.633 9.088 1.00 2.24 H new ATOM 0 HD11 LEU A 102 10.073 16.055 7.216 1.00 51.34 H new ATOM 0 HD12 LEU A 102 10.913 15.966 8.782 1.00 51.34 H new ATOM 0 HD13 LEU A 102 10.393 14.473 7.965 1.00 51.34 H new ATOM 0 HD21 LEU A 102 7.659 15.571 7.064 1.00 1.44 H new ATOM 0 HD22 LEU A 102 7.884 13.970 7.807 1.00 1.44 H new ATOM 0 HD23 LEU A 102 6.736 15.128 8.520 1.00 1.44 H new ATOM 1563 N PRO A 103 10.249 17.469 12.427 1.00 32.21 N ATOM 1564 CA PRO A 103 9.904 18.758 13.035 1.00 70.44 C ATOM 1565 C PRO A 103 9.542 19.811 11.993 1.00 22.01 C ATOM 1566 O PRO A 103 10.075 19.811 10.883 1.00 31.42 O ATOM 1567 CB PRO A 103 11.184 19.155 13.775 1.00 72.35 C ATOM 1568 CG PRO A 103 12.276 18.449 13.048 1.00 61.22 C ATOM 1569 CD PRO A 103 11.682 17.156 12.561 1.00 54.31 C ATOM 0 HA PRO A 103 9.029 18.684 13.680 1.00 70.44 H new ATOM 0 HB2 PRO A 103 11.332 20.235 13.759 1.00 72.35 H new ATOM 0 HB3 PRO A 103 11.146 18.854 14.822 1.00 72.35 H new ATOM 0 HG2 PRO A 103 12.641 19.049 12.214 1.00 61.22 H new ATOM 0 HG3 PRO A 103 13.126 18.265 13.705 1.00 61.22 H new ATOM 0 HD2 PRO A 103 12.117 16.847 11.610 1.00 54.31 H new ATOM 0 HD3 PRO A 103 11.852 16.344 13.268 1.00 54.31 H new ATOM 1577 N LYS A 104 8.633 20.709 12.358 1.00 44.12 N ATOM 1578 CA LYS A 104 8.201 21.770 11.456 1.00 12.22 C ATOM 1579 C LYS A 104 8.920 23.078 11.771 1.00 54.22 C ATOM 1580 O LYS A 104 9.385 23.306 12.888 1.00 71.43 O ATOM 1581 CB LYS A 104 6.687 21.970 11.560 1.00 41.03 C ATOM 1582 CG LYS A 104 6.180 22.043 12.989 1.00 14.24 C ATOM 1583 CD LYS A 104 4.953 22.934 13.101 1.00 24.40 C ATOM 1584 CE LYS A 104 4.608 23.227 14.553 1.00 71.11 C ATOM 1585 NZ LYS A 104 3.532 24.250 14.671 1.00 3.13 N ATOM 0 H LYS A 104 8.181 20.723 13.272 1.00 44.12 H new ATOM 0 HA LYS A 104 8.453 21.473 10.438 1.00 12.22 H new ATOM 0 HB2 LYS A 104 6.414 22.888 11.039 1.00 41.03 H new ATOM 0 HB3 LYS A 104 6.185 21.150 11.047 1.00 41.03 H new ATOM 0 HG2 LYS A 104 5.936 21.041 13.341 1.00 14.24 H new ATOM 0 HG3 LYS A 104 6.969 22.425 13.637 1.00 14.24 H new ATOM 0 HD2 LYS A 104 5.132 23.870 12.572 1.00 24.40 H new ATOM 0 HD3 LYS A 104 4.105 22.451 12.615 1.00 24.40 H new ATOM 0 HE2 LYS A 104 4.290 22.307 15.044 1.00 71.11 H new ATOM 0 HE3 LYS A 104 5.499 23.575 15.075 1.00 71.11 H new ATOM 0 HZ1 LYS A 104 3.325 24.422 15.676 1.00 3.13 H new ATOM 0 HZ2 LYS A 104 3.845 25.136 14.225 1.00 3.13 H new ATOM 0 HZ3 LYS A 104 2.673 23.907 14.195 1.00 3.13 H new ATOM 1599 N PRO A 105 9.012 23.960 10.765 1.00 43.43 N ATOM 1600 CA PRO A 105 8.463 23.700 9.431 1.00 53.42 C ATOM 1601 C PRO A 105 9.238 22.620 8.685 1.00 70.21 C ATOM 1602 O PRO A 105 10.469 22.599 8.705 1.00 51.35 O ATOM 1603 CB PRO A 105 8.605 25.048 8.720 1.00 43.35 C ATOM 1604 CG PRO A 105 9.732 25.728 9.418 1.00 30.01 C ATOM 1605 CD PRO A 105 9.661 25.279 10.852 1.00 43.34 C ATOM 0 HA PRO A 105 7.438 23.333 9.477 1.00 53.42 H new ATOM 0 HB2 PRO A 105 8.819 24.916 7.659 1.00 43.35 H new ATOM 0 HB3 PRO A 105 7.687 25.631 8.790 1.00 43.35 H new ATOM 0 HG2 PRO A 105 10.688 25.457 8.971 1.00 30.01 H new ATOM 0 HG3 PRO A 105 9.641 26.812 9.343 1.00 30.01 H new ATOM 0 HD2 PRO A 105 10.652 25.210 11.301 1.00 43.34 H new ATOM 0 HD3 PRO A 105 9.082 25.972 11.462 1.00 43.34 H new ATOM 1613 N PHE A 106 8.510 21.723 8.027 1.00 3.22 N ATOM 1614 CA PHE A 106 9.130 20.639 7.275 1.00 63.22 C ATOM 1615 C PHE A 106 8.713 20.686 5.808 1.00 54.40 C ATOM 1616 O PHE A 106 7.895 21.517 5.411 1.00 73.51 O ATOM 1617 CB PHE A 106 8.750 19.286 7.881 1.00 4.54 C ATOM 1618 CG PHE A 106 7.286 18.971 7.774 1.00 52.34 C ATOM 1619 CD1 PHE A 106 6.761 18.448 6.603 1.00 53.00 C ATOM 1620 CD2 PHE A 106 6.434 19.198 8.843 1.00 64.22 C ATOM 1621 CE1 PHE A 106 5.413 18.158 6.501 1.00 62.00 C ATOM 1622 CE2 PHE A 106 5.086 18.909 8.747 1.00 50.21 C ATOM 1623 CZ PHE A 106 4.575 18.388 7.575 1.00 61.44 C ATOM 0 H PHE A 106 7.490 21.726 8.000 1.00 3.22 H new ATOM 0 HA PHE A 106 10.211 20.764 7.332 1.00 63.22 H new ATOM 0 HB2 PHE A 106 9.320 18.501 7.383 1.00 4.54 H new ATOM 0 HB3 PHE A 106 9.040 19.273 8.932 1.00 4.54 H new ATOM 0 HD1 PHE A 106 7.412 18.265 5.761 1.00 53.00 H new ATOM 0 HD2 PHE A 106 6.828 19.606 9.762 1.00 64.22 H new ATOM 0 HE1 PHE A 106 5.015 17.752 5.583 1.00 62.00 H new ATOM 0 HE2 PHE A 106 4.433 19.091 9.588 1.00 50.21 H new ATOM 0 HZ PHE A 106 3.522 18.161 7.498 1.00 61.44 H new ATOM 1633 N ASP A 107 9.280 19.791 5.008 1.00 24.52 N ATOM 1634 CA ASP A 107 8.968 19.729 3.585 1.00 34.11 C ATOM 1635 C ASP A 107 7.972 18.610 3.296 1.00 62.34 C ATOM 1636 O ASP A 107 8.335 17.433 3.275 1.00 11.14 O ATOM 1637 CB ASP A 107 10.244 19.517 2.769 1.00 32.13 C ATOM 1638 CG ASP A 107 10.710 20.786 2.083 1.00 31.13 C ATOM 1639 OD1 ASP A 107 10.024 21.237 1.143 1.00 43.45 O ATOM 1640 OD2 ASP A 107 11.761 21.327 2.487 1.00 51.23 O ATOM 0 H ASP A 107 9.959 19.097 5.321 1.00 24.52 H new ATOM 0 HA ASP A 107 8.516 20.678 3.296 1.00 34.11 H new ATOM 0 HB2 ASP A 107 11.034 19.151 3.424 1.00 32.13 H new ATOM 0 HB3 ASP A 107 10.068 18.746 2.019 1.00 32.13 H new ATOM 1645 N ILE A 108 6.717 18.984 3.073 1.00 11.23 N ATOM 1646 CA ILE A 108 5.670 18.012 2.785 1.00 12.02 C ATOM 1647 C ILE A 108 6.069 17.100 1.630 1.00 41.20 C ATOM 1648 O ILE A 108 5.598 15.967 1.529 1.00 43.13 O ATOM 1649 CB ILE A 108 4.338 18.704 2.441 1.00 11.51 C ATOM 1650 CG1 ILE A 108 4.411 19.336 1.049 1.00 31.03 C ATOM 1651 CG2 ILE A 108 4.001 19.755 3.488 1.00 1.25 C ATOM 1652 CD1 ILE A 108 5.332 20.534 0.977 1.00 70.31 C ATOM 0 H ILE A 108 6.400 19.954 3.086 1.00 11.23 H new ATOM 0 HA ILE A 108 5.537 17.415 3.687 1.00 12.02 H new ATOM 0 HB ILE A 108 3.547 17.955 2.439 1.00 11.51 H new ATOM 0 HG12 ILE A 108 4.749 18.585 0.335 1.00 31.03 H new ATOM 0 HG13 ILE A 108 3.410 19.639 0.743 1.00 31.03 H new ATOM 0 HG21 ILE A 108 3.057 20.235 3.231 1.00 1.25 H new ATOM 0 HG22 ILE A 108 3.912 19.280 4.465 1.00 1.25 H new ATOM 0 HG23 ILE A 108 4.792 20.504 3.519 1.00 1.25 H new ATOM 0 HD11 ILE A 108 5.335 20.930 -0.038 1.00 70.31 H new ATOM 0 HD12 ILE A 108 4.983 21.303 1.666 1.00 70.31 H new ATOM 0 HD13 ILE A 108 6.343 20.233 1.251 1.00 70.31 H new ATOM 1664 N ASP A 109 6.941 17.601 0.762 1.00 1.42 N ATOM 1665 CA ASP A 109 7.407 16.831 -0.385 1.00 51.11 C ATOM 1666 C ASP A 109 8.217 15.620 0.066 1.00 4.23 C ATOM 1667 O ASP A 109 8.146 14.553 -0.541 1.00 73.52 O ATOM 1668 CB ASP A 109 8.252 17.711 -1.308 1.00 31.21 C ATOM 1669 CG ASP A 109 7.446 18.829 -1.940 1.00 20.32 C ATOM 1670 OD1 ASP A 109 6.775 18.572 -2.961 1.00 64.12 O ATOM 1671 OD2 ASP A 109 7.487 19.961 -1.413 1.00 73.34 O ATOM 0 H ASP A 109 7.339 18.537 0.831 1.00 1.42 H new ATOM 0 HA ASP A 109 6.534 16.477 -0.933 1.00 51.11 H new ATOM 0 HB2 ASP A 109 9.079 18.139 -0.741 1.00 31.21 H new ATOM 0 HB3 ASP A 109 8.690 17.094 -2.093 1.00 31.21 H new ATOM 1676 N GLU A 110 8.988 15.795 1.135 1.00 5.40 N ATOM 1677 CA GLU A 110 9.814 14.717 1.666 1.00 72.23 C ATOM 1678 C GLU A 110 9.008 13.829 2.609 1.00 32.15 C ATOM 1679 O GLU A 110 9.355 12.670 2.837 1.00 43.50 O ATOM 1680 CB GLU A 110 11.029 15.288 2.399 1.00 42.20 C ATOM 1681 CG GLU A 110 12.329 14.572 2.072 1.00 1.44 C ATOM 1682 CD GLU A 110 12.769 14.788 0.637 1.00 21.24 C ATOM 1683 OE1 GLU A 110 12.193 14.143 -0.264 1.00 11.34 O ATOM 1684 OE2 GLU A 110 13.690 15.602 0.416 1.00 61.22 O ATOM 0 H GLU A 110 9.058 16.673 1.650 1.00 5.40 H new ATOM 0 HA GLU A 110 10.157 14.111 0.828 1.00 72.23 H new ATOM 0 HB2 GLU A 110 11.132 16.343 2.147 1.00 42.20 H new ATOM 0 HB3 GLU A 110 10.854 15.233 3.473 1.00 42.20 H new ATOM 0 HG2 GLU A 110 13.112 14.923 2.745 1.00 1.44 H new ATOM 0 HG3 GLU A 110 12.207 13.504 2.254 1.00 1.44 H new ATOM 1691 N ALA A 111 7.930 14.382 3.156 1.00 31.42 N ATOM 1692 CA ALA A 111 7.074 13.641 4.074 1.00 75.42 C ATOM 1693 C ALA A 111 6.190 12.651 3.322 1.00 53.10 C ATOM 1694 O ALA A 111 5.938 11.543 3.796 1.00 3.21 O ATOM 1695 CB ALA A 111 6.220 14.600 4.890 1.00 74.22 C ATOM 0 H ALA A 111 7.629 15.340 2.979 1.00 31.42 H new ATOM 0 HA ALA A 111 7.713 13.075 4.752 1.00 75.42 H new ATOM 0 HB1 ALA A 111 5.586 14.033 5.571 1.00 74.22 H new ATOM 0 HB2 ALA A 111 6.866 15.264 5.464 1.00 74.22 H new ATOM 0 HB3 ALA A 111 5.595 15.191 4.220 1.00 74.22 H new ATOM 1701 N VAL A 112 5.720 13.059 2.147 1.00 32.51 N ATOM 1702 CA VAL A 112 4.864 12.207 1.329 1.00 11.43 C ATOM 1703 C VAL A 112 5.486 10.830 1.132 1.00 21.43 C ATOM 1704 O VAL A 112 4.790 9.815 1.151 1.00 63.21 O ATOM 1705 CB VAL A 112 4.596 12.840 -0.049 1.00 65.35 C ATOM 1706 CG1 VAL A 112 3.825 11.876 -0.939 1.00 3.15 C ATOM 1707 CG2 VAL A 112 3.845 14.154 0.104 1.00 23.41 C ATOM 0 H VAL A 112 5.917 13.973 1.741 1.00 32.51 H new ATOM 0 HA VAL A 112 3.919 12.102 1.862 1.00 11.43 H new ATOM 0 HB VAL A 112 5.554 13.050 -0.525 1.00 65.35 H new ATOM 0 HG11 VAL A 112 3.645 12.341 -1.908 1.00 3.15 H new ATOM 0 HG12 VAL A 112 4.406 10.964 -1.076 1.00 3.15 H new ATOM 0 HG13 VAL A 112 2.871 11.632 -0.471 1.00 3.15 H new ATOM 0 HG21 VAL A 112 3.665 14.587 -0.880 1.00 23.41 H new ATOM 0 HG22 VAL A 112 2.892 13.973 0.601 1.00 23.41 H new ATOM 0 HG23 VAL A 112 4.440 14.846 0.701 1.00 23.41 H new ATOM 1717 N ALA A 113 6.801 10.802 0.944 1.00 24.20 N ATOM 1718 CA ALA A 113 7.518 9.548 0.746 1.00 4.31 C ATOM 1719 C ALA A 113 7.862 8.896 2.081 1.00 61.22 C ATOM 1720 O ALA A 113 7.996 7.675 2.170 1.00 30.44 O ATOM 1721 CB ALA A 113 8.781 9.786 -0.068 1.00 65.33 C ATOM 0 H ALA A 113 7.392 11.633 0.925 1.00 24.20 H new ATOM 0 HA ALA A 113 6.867 8.868 0.196 1.00 4.31 H new ATOM 0 HB1 ALA A 113 9.307 8.842 -0.208 1.00 65.33 H new ATOM 0 HB2 ALA A 113 8.515 10.201 -1.040 1.00 65.33 H new ATOM 0 HB3 ALA A 113 9.428 10.486 0.460 1.00 65.33 H new ATOM 1727 N LEU A 114 8.005 9.716 3.116 1.00 54.43 N ATOM 1728 CA LEU A 114 8.334 9.219 4.447 1.00 73.20 C ATOM 1729 C LEU A 114 7.124 8.552 5.094 1.00 71.25 C ATOM 1730 O LEU A 114 7.266 7.704 5.975 1.00 62.25 O ATOM 1731 CB LEU A 114 8.833 10.363 5.331 1.00 21.44 C ATOM 1732 CG LEU A 114 8.876 10.080 6.833 1.00 25.25 C ATOM 1733 CD1 LEU A 114 10.056 9.182 7.174 1.00 75.43 C ATOM 1734 CD2 LEU A 114 8.951 11.381 7.619 1.00 33.12 C ATOM 0 H LEU A 114 7.898 10.729 3.059 1.00 54.43 H new ATOM 0 HA LEU A 114 9.124 8.475 4.345 1.00 73.20 H new ATOM 0 HB2 LEU A 114 9.836 10.637 5.004 1.00 21.44 H new ATOM 0 HB3 LEU A 114 8.195 11.230 5.163 1.00 21.44 H new ATOM 0 HG LEU A 114 7.958 9.562 7.111 1.00 25.25 H new ATOM 0 HD11 LEU A 114 10.070 8.992 8.247 1.00 75.43 H new ATOM 0 HD12 LEU A 114 9.961 8.237 6.639 1.00 75.43 H new ATOM 0 HD13 LEU A 114 10.984 9.673 6.880 1.00 75.43 H new ATOM 0 HD21 LEU A 114 8.981 11.160 8.686 1.00 33.12 H new ATOM 0 HD22 LEU A 114 9.852 11.926 7.336 1.00 33.12 H new ATOM 0 HD23 LEU A 114 8.074 11.990 7.399 1.00 33.12 H new ATOM 1746 N VAL A 115 5.933 8.939 4.648 1.00 13.35 N ATOM 1747 CA VAL A 115 4.698 8.377 5.181 1.00 35.21 C ATOM 1748 C VAL A 115 4.609 6.881 4.900 1.00 53.15 C ATOM 1749 O VAL A 115 4.250 6.095 5.776 1.00 44.30 O ATOM 1750 CB VAL A 115 3.460 9.075 4.585 1.00 24.44 C ATOM 1751 CG1 VAL A 115 2.184 8.405 5.071 1.00 11.01 C ATOM 1752 CG2 VAL A 115 3.463 10.555 4.937 1.00 20.41 C ATOM 0 H VAL A 115 5.798 9.639 3.919 1.00 13.35 H new ATOM 0 HA VAL A 115 4.715 8.541 6.258 1.00 35.21 H new ATOM 0 HB VAL A 115 3.499 8.983 3.500 1.00 24.44 H new ATOM 0 HG11 VAL A 115 1.320 8.911 4.640 1.00 11.01 H new ATOM 0 HG12 VAL A 115 2.182 7.359 4.764 1.00 11.01 H new ATOM 0 HG13 VAL A 115 2.134 8.464 6.158 1.00 11.01 H new ATOM 0 HG21 VAL A 115 2.582 11.033 4.508 1.00 20.41 H new ATOM 0 HG22 VAL A 115 3.448 10.671 6.021 1.00 20.41 H new ATOM 0 HG23 VAL A 115 4.361 11.023 4.535 1.00 20.41 H new ATOM 1762 N GLU A 116 4.938 6.495 3.671 1.00 51.13 N ATOM 1763 CA GLU A 116 4.895 5.093 3.274 1.00 74.40 C ATOM 1764 C GLU A 116 6.172 4.370 3.691 1.00 62.33 C ATOM 1765 O GLU A 116 6.201 3.143 3.786 1.00 33.42 O ATOM 1766 CB GLU A 116 4.698 4.973 1.761 1.00 3.42 C ATOM 1767 CG GLU A 116 3.607 5.879 1.216 1.00 51.02 C ATOM 1768 CD GLU A 116 2.702 5.171 0.227 1.00 53.05 C ATOM 1769 OE1 GLU A 116 2.184 4.087 0.568 1.00 70.12 O ATOM 1770 OE2 GLU A 116 2.511 5.700 -0.888 1.00 40.32 O ATOM 0 H GLU A 116 5.237 7.133 2.934 1.00 51.13 H new ATOM 0 HA GLU A 116 4.051 4.625 3.781 1.00 74.40 H new ATOM 0 HB2 GLU A 116 5.638 5.208 1.261 1.00 3.42 H new ATOM 0 HB3 GLU A 116 4.456 3.939 1.515 1.00 3.42 H new ATOM 0 HG2 GLU A 116 3.008 6.259 2.044 1.00 51.02 H new ATOM 0 HG3 GLU A 116 4.064 6.742 0.731 1.00 51.02 H new ATOM 1777 N ARG A 117 7.227 5.140 3.937 1.00 63.53 N ATOM 1778 CA ARG A 117 8.508 4.573 4.341 1.00 4.42 C ATOM 1779 C ARG A 117 8.321 3.540 5.448 1.00 71.31 C ATOM 1780 O ARG A 117 8.978 2.499 5.457 1.00 2.40 O ATOM 1781 CB ARG A 117 9.452 5.680 4.817 1.00 72.23 C ATOM 1782 CG ARG A 117 10.643 5.900 3.899 1.00 5.13 C ATOM 1783 CD ARG A 117 11.952 5.897 4.675 1.00 74.43 C ATOM 1784 NE ARG A 117 12.151 4.648 5.406 1.00 0.41 N ATOM 1785 CZ ARG A 117 12.536 3.514 4.832 1.00 22.13 C ATOM 1786 NH1 ARG A 117 12.763 3.471 3.527 1.00 53.13 N ATOM 1787 NH2 ARG A 117 12.696 2.419 5.565 1.00 1.31 N ATOM 0 H ARG A 117 7.220 6.157 3.864 1.00 63.53 H new ATOM 0 HA ARG A 117 8.946 4.077 3.475 1.00 4.42 H new ATOM 0 HB2 ARG A 117 8.892 6.612 4.902 1.00 72.23 H new ATOM 0 HB3 ARG A 117 9.814 5.433 5.815 1.00 72.23 H new ATOM 0 HG2 ARG A 117 10.667 5.119 3.139 1.00 5.13 H new ATOM 0 HG3 ARG A 117 10.531 6.850 3.376 1.00 5.13 H new ATOM 0 HD2 ARG A 117 12.783 6.050 3.986 1.00 74.43 H new ATOM 0 HD3 ARG A 117 11.961 6.732 5.375 1.00 74.43 H new ATOM 0 HE ARG A 117 11.985 4.647 6.412 1.00 0.41 H new ATOM 0 HH11 ARG A 117 12.642 4.310 2.960 1.00 53.13 H new ATOM 0 HH12 ARG A 117 13.059 2.598 3.089 1.00 53.13 H new ATOM 0 HH21 ARG A 117 12.523 2.448 6.570 1.00 1.31 H new ATOM 0 HH22 ARG A 117 12.992 1.548 5.123 1.00 1.31 H new ATOM 1801 N ALA A 118 7.420 3.835 6.379 1.00 20.45 N ATOM 1802 CA ALA A 118 7.145 2.931 7.489 1.00 20.25 C ATOM 1803 C ALA A 118 6.127 1.867 7.092 1.00 12.42 C ATOM 1804 O ALA A 118 6.236 0.709 7.495 1.00 1.04 O ATOM 1805 CB ALA A 118 6.650 3.713 8.697 1.00 42.21 C ATOM 0 H ALA A 118 6.868 4.693 6.387 1.00 20.45 H new ATOM 0 HA ALA A 118 8.075 2.427 7.753 1.00 20.25 H new ATOM 0 HB1 ALA A 118 6.449 3.025 9.518 1.00 42.21 H new ATOM 0 HB2 ALA A 118 7.411 4.430 9.003 1.00 42.21 H new ATOM 0 HB3 ALA A 118 5.735 4.244 8.436 1.00 42.21 H new ATOM 1811 N ILE A 119 5.138 2.268 6.301 1.00 53.41 N ATOM 1812 CA ILE A 119 4.101 1.349 5.850 1.00 74.04 C ATOM 1813 C ILE A 119 4.709 0.100 5.220 1.00 11.24 C ATOM 1814 O ILE A 119 4.216 -1.010 5.419 1.00 60.34 O ATOM 1815 CB ILE A 119 3.160 2.018 4.830 1.00 62.13 C ATOM 1816 CG1 ILE A 119 2.558 3.295 5.419 1.00 4.13 C ATOM 1817 CG2 ILE A 119 2.061 1.053 4.410 1.00 24.11 C ATOM 1818 CD1 ILE A 119 1.604 4.002 4.482 1.00 4.13 C ATOM 0 H ILE A 119 5.033 3.223 5.959 1.00 53.41 H new ATOM 0 HA ILE A 119 3.526 1.066 6.732 1.00 74.04 H new ATOM 0 HB ILE A 119 3.739 2.286 3.946 1.00 62.13 H new ATOM 0 HG12 ILE A 119 2.032 3.047 6.341 1.00 4.13 H new ATOM 0 HG13 ILE A 119 3.365 3.978 5.686 1.00 4.13 H new ATOM 0 HG21 ILE A 119 1.405 1.541 3.689 1.00 24.11 H new ATOM 0 HG22 ILE A 119 2.507 0.169 3.954 1.00 24.11 H new ATOM 0 HG23 ILE A 119 1.483 0.757 5.285 1.00 24.11 H new ATOM 0 HD11 ILE A 119 1.216 4.898 4.966 1.00 4.13 H new ATOM 0 HD12 ILE A 119 2.130 4.281 3.569 1.00 4.13 H new ATOM 0 HD13 ILE A 119 0.777 3.336 4.235 1.00 4.13 H new ATOM 1830 N SER A 120 5.784 0.290 4.462 1.00 22.14 N ATOM 1831 CA SER A 120 6.460 -0.821 3.802 1.00 34.11 C ATOM 1832 C SER A 120 6.859 -1.892 4.813 1.00 44.22 C ATOM 1833 O SER A 120 6.771 -3.088 4.535 1.00 64.23 O ATOM 1834 CB SER A 120 7.698 -0.321 3.055 1.00 74.41 C ATOM 1835 OG SER A 120 8.532 0.446 3.906 1.00 73.23 O ATOM 0 H SER A 120 6.206 1.203 4.290 1.00 22.14 H new ATOM 0 HA SER A 120 5.767 -1.263 3.086 1.00 34.11 H new ATOM 0 HB2 SER A 120 8.257 -1.170 2.662 1.00 74.41 H new ATOM 0 HB3 SER A 120 7.392 0.282 2.200 1.00 74.41 H new ATOM 0 HG SER A 120 8.140 1.335 4.034 1.00 73.23 H new ATOM 1841 N HIS A 121 7.299 -1.453 5.988 1.00 44.32 N ATOM 1842 CA HIS A 121 7.713 -2.373 7.042 1.00 53.44 C ATOM 1843 C HIS A 121 6.569 -3.306 7.427 1.00 1.14 C ATOM 1844 O HIS A 121 6.796 -4.420 7.899 1.00 65.54 O ATOM 1845 CB HIS A 121 8.188 -1.595 8.269 1.00 11.31 C ATOM 1846 CG HIS A 121 8.911 -2.441 9.271 1.00 3.32 C ATOM 1847 ND1 HIS A 121 10.264 -2.327 9.516 1.00 74.13 N ATOM 1848 CD2 HIS A 121 8.462 -3.417 10.094 1.00 4.03 C ATOM 1849 CE1 HIS A 121 10.616 -3.198 10.445 1.00 74.15 C ATOM 1850 NE2 HIS A 121 9.541 -3.872 10.813 1.00 53.42 N ATOM 0 H HIS A 121 7.378 -0.466 6.234 1.00 44.32 H new ATOM 0 HA HIS A 121 8.538 -2.976 6.662 1.00 53.44 H new ATOM 0 HB2 HIS A 121 8.845 -0.788 7.945 1.00 11.31 H new ATOM 0 HB3 HIS A 121 7.327 -1.131 8.751 1.00 11.31 H new ATOM 0 HD2 HIS A 121 7.445 -3.772 10.171 1.00 4.03 H new ATOM 0 HE1 HIS A 121 11.613 -3.336 10.837 1.00 74.15 H new ATOM 0 HE2 HIS A 121 9.516 -4.610 11.516 1.00 53.42 H new ATOM 1858 N TYR A 122 5.341 -2.843 7.225 1.00 34.22 N ATOM 1859 CA TYR A 122 4.162 -3.635 7.555 1.00 74.21 C ATOM 1860 C TYR A 122 3.349 -3.950 6.303 1.00 62.15 C ATOM 1861 O TYR A 122 2.124 -4.053 6.355 1.00 70.13 O ATOM 1862 CB TYR A 122 3.290 -2.893 8.569 1.00 54.54 C ATOM 1863 CG TYR A 122 4.069 -2.310 9.726 1.00 41.22 C ATOM 1864 CD1 TYR A 122 4.674 -1.063 9.624 1.00 31.22 C ATOM 1865 CD2 TYR A 122 4.200 -3.006 10.921 1.00 13.23 C ATOM 1866 CE1 TYR A 122 5.388 -0.527 10.679 1.00 74.53 C ATOM 1867 CE2 TYR A 122 4.910 -2.477 11.982 1.00 63.24 C ATOM 1868 CZ TYR A 122 5.503 -1.238 11.855 1.00 33.03 C ATOM 1869 OH TYR A 122 6.212 -0.707 12.908 1.00 34.25 O ATOM 0 H TYR A 122 5.136 -1.923 6.834 1.00 34.22 H new ATOM 0 HA TYR A 122 4.499 -4.574 7.994 1.00 74.21 H new ATOM 0 HB2 TYR A 122 2.758 -2.090 8.059 1.00 54.54 H new ATOM 0 HB3 TYR A 122 2.537 -3.578 8.958 1.00 54.54 H new ATOM 0 HD1 TYR A 122 4.585 -0.503 8.705 1.00 31.22 H new ATOM 0 HD2 TYR A 122 3.739 -3.977 11.023 1.00 13.23 H new ATOM 0 HE1 TYR A 122 5.853 0.443 10.583 1.00 74.53 H new ATOM 0 HE2 TYR A 122 5.000 -3.030 12.905 1.00 63.24 H new ATOM 0 HH TYR A 122 6.196 -1.333 13.662 1.00 34.25 H new ATOM 1879 N GLN A 123 4.042 -4.102 5.178 1.00 30.15 N ATOM 1880 CA GLN A 123 3.386 -4.405 3.912 1.00 35.32 C ATOM 1881 C GLN A 123 4.347 -5.099 2.953 1.00 41.10 C ATOM 1882 O GLN A 123 5.446 -4.607 2.698 1.00 53.03 O ATOM 1883 CB GLN A 123 2.845 -3.124 3.274 1.00 23.41 C ATOM 1884 CG GLN A 123 1.431 -3.263 2.735 1.00 14.13 C ATOM 1885 CD GLN A 123 1.111 -2.239 1.664 1.00 0.55 C ATOM 1886 OE1 GLN A 123 1.843 -1.265 1.482 1.00 15.14 O ATOM 1887 NE2 GLN A 123 0.013 -2.453 0.948 1.00 5.04 N ATOM 0 H GLN A 123 5.057 -4.020 5.118 1.00 30.15 H new ATOM 0 HA GLN A 123 2.555 -5.080 4.115 1.00 35.32 H new ATOM 0 HB2 GLN A 123 2.866 -2.323 4.013 1.00 23.41 H new ATOM 0 HB3 GLN A 123 3.507 -2.825 2.461 1.00 23.41 H new ATOM 0 HG2 GLN A 123 1.299 -4.265 2.326 1.00 14.13 H new ATOM 0 HG3 GLN A 123 0.722 -3.158 3.556 1.00 14.13 H new ATOM 0 HE21 GLN A 123 -0.564 -3.273 1.133 1.00 5.04 H new ATOM 0 HE22 GLN A 123 -0.253 -1.797 0.213 1.00 5.04 H new ATOM 1896 N GLU A 124 3.926 -6.244 2.425 1.00 33.14 N ATOM 1897 CA GLU A 124 4.751 -7.005 1.495 1.00 22.31 C ATOM 1898 C GLU A 124 4.099 -7.071 0.117 1.00 33.43 C ATOM 1899 O GLU A 124 4.048 -6.076 -0.605 1.00 22.25 O ATOM 1900 CB GLU A 124 4.987 -8.420 2.028 1.00 3.01 C ATOM 1901 CG GLU A 124 6.380 -8.632 2.597 1.00 44.43 C ATOM 1902 CD GLU A 124 6.764 -10.097 2.671 1.00 13.23 C ATOM 1903 OE1 GLU A 124 6.097 -10.918 2.007 1.00 21.35 O ATOM 1904 OE2 GLU A 124 7.729 -10.422 3.393 1.00 23.11 O ATOM 0 H GLU A 124 3.019 -6.665 2.626 1.00 33.14 H new ATOM 0 HA GLU A 124 5.710 -6.496 1.400 1.00 22.31 H new ATOM 0 HB2 GLU A 124 4.251 -8.635 2.803 1.00 3.01 H new ATOM 0 HB3 GLU A 124 4.820 -9.135 1.222 1.00 3.01 H new ATOM 0 HG2 GLU A 124 7.105 -8.101 1.980 1.00 44.43 H new ATOM 0 HG3 GLU A 124 6.431 -8.196 3.595 1.00 44.43 H new TER 1911 GLU A 124