USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 891 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 116 THR OG1 : rot 1:sc= -7.96! USER MOD Set 1.2: A 125 LYS NZ :NH3+ 176:sc= -0.472 (180deg=-1.74) USER MOD Set 2.1: A 115 GLN : amide:sc= -3.86! X(o=-3.7!,f=-4.2) USER MOD Set 2.2: A 117 TYR OH : rot -152:sc= 0.143 USER MOD Set 3.1: A 98 ASN :FLIP amide:sc= 0.0338 F(o=-9.1!,f=-4) USER MOD Set 3.2: A 100 LYS NZ :NH3+ 160:sc= -4.03! (180deg=-5.11!) USER MOD Set 4.1: A 5 THR OG1 : rot 20:sc= 1.93 USER MOD Set 4.2: A 39 THR OG1 : rot -7:sc= -1.46! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -19! C(o=-19!,f=-22!) USER MOD Single : A 13 ASN :FLIP amide:sc= -9.56! C(o=-12!,f=-9.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -1.21 (180deg=-2.63!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -1.73! (180deg=-2.97!) USER MOD Single : A 21 MET CE :methyl -153:sc= -0.301 (180deg=-1.08) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.13 F(o=-1.6!,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= -2.47 (180deg=-2.93) USER MOD Single : A 33 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-8!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.0318 (180deg=-0.21) USER MOD Single : A 41 THR OG1 : rot 103:sc= 0.0148 USER MOD Single : A 42 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.1) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.39 F(o=-6.1!,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= -9.77! (180deg=-10.4!) USER MOD Single : A 48 THR OG1 : rot -175:sc= -4.78! USER MOD Single : A 50 LYS NZ :NH3+ -132:sc= -3.14! (180deg=-6.34!) USER MOD Single : A 52 SER OG : rot 170:sc= -3.43! USER MOD Single : A 53 SER OG : rot 5:sc= -0.533! USER MOD Single : A 54 ASN :FLIP amide:sc= -5.11! C(o=-12!,f=-5.1!) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.544 F(o=-0.023,f=0.54) USER MOD Single : A 70 TYR OH : rot -178:sc= -0.534 USER MOD Single : A 71 SER OG : rot 180:sc= -1.52! USER MOD Single : A 76 THR OG1 : rot 45:sc= 0.0182 USER MOD Single : A 79 THR OG1 : rot -170:sc= -0.226 USER MOD Single : A 81 THR OG1 : rot -67:sc= -6.5! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -127:sc= -7.39! (180deg=-9.37!) USER MOD Single : A 87 ASN : amide:sc= -0.0645 X(o=-0.065,f=-0.065) USER MOD Single : A 88 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0905) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -135:sc= 1.63 (180deg=0.0724) USER MOD Single : A 109 SER OG : rot -13:sc= 1.03 USER MOD Single : A 111 ASN : amide:sc= -0.215 K(o=-0.22,f=-3!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 123:sc= 1.47 USER MOD Single : A 129 LYS NZ :NH3+ 138:sc= -6.02! (180deg=-9.56!) USER MOD Single : A 130 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0521) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.647 -12.266 -0.511 1.00 0.00 N ATOM 2 CA ALA A 1 11.176 -12.120 -0.363 1.00 0.00 C ATOM 3 C ALA A 1 10.728 -12.486 1.046 1.00 0.00 C ATOM 4 O ALA A 1 11.157 -13.499 1.600 1.00 0.00 O ATOM 5 CB ALA A 1 10.458 -12.988 -1.385 1.00 0.00 C ATOM 0 H1 ALA A 1 12.925 -12.010 -1.480 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.128 -11.638 0.164 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.919 -13.252 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 1 10.919 -11.076 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.381 -12.873 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.748 -12.682 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.730 -14.032 -1.231 1.00 0.00 H new ATOM 13 N PHE A 2 9.866 -11.652 1.623 1.00 0.00 N ATOM 14 CA PHE A 2 9.359 -11.883 2.971 1.00 0.00 C ATOM 15 C PHE A 2 10.511 -11.949 3.969 1.00 0.00 C ATOM 16 O PHE A 2 10.464 -12.710 4.937 1.00 0.00 O ATOM 17 CB PHE A 2 8.546 -13.182 3.030 1.00 0.00 C ATOM 18 CG PHE A 2 7.286 -13.170 2.204 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.307 -12.772 0.875 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.079 -13.565 2.759 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.150 -12.768 0.120 1.00 0.00 C ATOM 22 CE2 PHE A 2 4.920 -13.561 2.006 1.00 0.00 C ATOM 23 CZ PHE A 2 4.956 -13.163 0.686 1.00 0.00 C ATOM 0 H PHE A 2 9.504 -10.809 1.176 1.00 0.00 H new ATOM 0 HA PHE A 2 8.707 -11.050 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.177 -14.006 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.283 -13.384 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.239 -12.462 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.044 -13.879 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.181 -12.456 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.986 -13.870 2.451 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.051 -13.161 0.097 1.00 0.00 H new ATOM 32 N ASP A 3 11.543 -11.148 3.722 1.00 0.00 N ATOM 33 CA ASP A 3 12.713 -11.115 4.592 1.00 0.00 C ATOM 34 C ASP A 3 13.680 -10.047 4.141 1.00 0.00 C ATOM 35 O ASP A 3 14.872 -10.107 4.447 1.00 0.00 O ATOM 36 CB ASP A 3 13.432 -12.450 4.550 1.00 0.00 C ATOM 37 CG ASP A 3 14.312 -12.686 5.764 1.00 0.00 C ATOM 38 OD1 ASP A 3 14.359 -11.803 6.647 1.00 0.00 O ATOM 39 OD2 ASP A 3 14.953 -13.755 5.831 1.00 0.00 O ATOM 0 H ASP A 3 11.592 -10.513 2.926 1.00 0.00 H new ATOM 0 HA ASP A 3 12.370 -10.901 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.696 -13.251 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.044 -12.499 3.649 1.00 0.00 H new ATOM 43 N GLY A 4 13.175 -9.069 3.417 1.00 0.00 N ATOM 44 CA GLY A 4 14.030 -8.015 2.952 1.00 0.00 C ATOM 45 C GLY A 4 13.673 -6.708 3.606 1.00 0.00 C ATOM 46 O GLY A 4 12.546 -6.541 4.073 1.00 0.00 O ATOM 0 H GLY A 4 12.195 -8.988 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.069 -8.262 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.943 -7.921 1.870 1.00 0.00 H new ATOM 50 N THR A 5 14.589 -5.758 3.602 1.00 0.00 N ATOM 51 CA THR A 5 14.318 -4.482 4.140 1.00 0.00 C ATOM 52 C THR A 5 15.096 -3.543 3.304 1.00 0.00 C ATOM 53 O THR A 5 16.201 -3.853 2.878 1.00 0.00 O ATOM 54 CB THR A 5 14.667 -4.310 5.616 1.00 0.00 C ATOM 55 OG1 THR A 5 14.269 -2.994 5.996 1.00 0.00 O ATOM 56 CG2 THR A 5 16.156 -4.508 5.869 1.00 0.00 C ATOM 0 H THR A 5 15.529 -5.869 3.223 1.00 0.00 H new ATOM 0 HA THR A 5 13.243 -4.304 4.117 1.00 0.00 H new ATOM 0 HB THR A 5 14.147 -5.063 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.613 -2.652 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.365 -4.378 6.931 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.447 -5.513 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.723 -3.775 5.295 1.00 0.00 H new ATOM 64 N TRP A 6 14.503 -2.439 3.000 1.00 0.00 N ATOM 65 CA TRP A 6 15.085 -1.513 2.147 1.00 0.00 C ATOM 66 C TRP A 6 14.409 -0.250 2.573 1.00 0.00 C ATOM 67 O TRP A 6 13.354 -0.355 3.188 1.00 0.00 O ATOM 68 CB TRP A 6 14.812 -1.934 0.718 1.00 0.00 C ATOM 69 CG TRP A 6 14.303 -3.344 0.518 1.00 0.00 C ATOM 70 CD1 TRP A 6 14.903 -4.339 -0.196 1.00 0.00 C ATOM 71 CD2 TRP A 6 13.077 -3.900 1.001 1.00 0.00 C ATOM 72 NE1 TRP A 6 14.142 -5.484 -0.155 1.00 0.00 N ATOM 73 CE2 TRP A 6 13.012 -5.231 0.554 1.00 0.00 C ATOM 74 CE3 TRP A 6 12.037 -3.404 1.772 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.941 -6.061 0.847 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.976 -4.230 2.061 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.933 -5.539 1.596 1.00 0.00 C ATOM 0 H TRP A 6 13.585 -2.169 3.354 1.00 0.00 H new ATOM 0 HA TRP A 6 16.169 -1.409 2.192 1.00 0.00 H new ATOM 0 HB2 TRP A 6 14.084 -1.244 0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 6 15.733 -1.819 0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 6 15.843 -4.242 -0.719 1.00 0.00 H new ATOM 0 HE1 TRP A 6 14.386 -6.376 -0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.060 -2.388 2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.908 -7.081 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 10.160 -3.854 2.661 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.079 -6.156 1.835 1.00 0.00 H new ATOM 87 N LYS A 7 14.953 0.931 2.386 1.00 0.00 N ATOM 88 CA LYS A 7 14.239 2.043 2.951 1.00 0.00 C ATOM 89 C LYS A 7 14.749 3.385 2.502 1.00 0.00 C ATOM 90 O LYS A 7 15.956 3.626 2.492 1.00 0.00 O ATOM 91 CB LYS A 7 14.321 1.952 4.456 1.00 0.00 C ATOM 92 CG LYS A 7 15.343 0.954 5.003 1.00 0.00 C ATOM 93 CD LYS A 7 16.758 1.301 4.567 1.00 0.00 C ATOM 94 CE LYS A 7 17.761 0.287 5.090 1.00 0.00 C ATOM 95 NZ LYS A 7 19.149 0.614 4.670 1.00 0.00 N ATOM 0 H LYS A 7 15.819 1.137 1.887 1.00 0.00 H new ATOM 0 HA LYS A 7 13.210 1.976 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.559 2.940 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.337 1.684 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.291 0.940 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.092 -0.049 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.807 1.336 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.019 2.295 4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.709 0.253 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.496 -0.706 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.803 -0.101 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.205 0.622 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.411 1.551 5.038 1.00 0.00 H new ATOM 105 N VAL A 8 13.831 4.270 2.144 1.00 0.00 N ATOM 106 CA VAL A 8 14.219 5.597 1.714 1.00 0.00 C ATOM 107 C VAL A 8 13.075 6.492 1.448 1.00 0.00 C ATOM 108 O VAL A 8 12.887 7.521 2.096 1.00 0.00 O ATOM 109 CB VAL A 8 14.951 5.562 0.383 1.00 0.00 C ATOM 110 CG1 VAL A 8 16.413 5.845 0.543 1.00 0.00 C ATOM 111 CG2 VAL A 8 14.690 4.246 -0.310 1.00 0.00 C ATOM 0 H VAL A 8 12.826 4.094 2.143 1.00 0.00 H new ATOM 0 HA VAL A 8 14.830 5.960 2.541 1.00 0.00 H new ATOM 0 HB VAL A 8 14.562 6.359 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.899 5.810 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.546 6.835 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.859 5.096 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.217 4.226 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.044 3.428 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.620 4.133 -0.484 1.00 0.00 H new ATOM 121 N ASP A 9 12.374 6.128 0.418 1.00 0.00 N ATOM 122 CA ASP A 9 11.307 6.925 -0.045 1.00 0.00 C ATOM 123 C ASP A 9 10.027 6.142 -0.304 1.00 0.00 C ATOM 124 O ASP A 9 9.693 5.171 0.374 1.00 0.00 O ATOM 125 CB ASP A 9 11.792 7.630 -1.310 1.00 0.00 C ATOM 126 CG ASP A 9 12.779 8.752 -1.035 1.00 0.00 C ATOM 127 OD1 ASP A 9 13.069 9.017 0.148 1.00 0.00 O ATOM 128 OD2 ASP A 9 13.258 9.369 -2.009 1.00 0.00 O ATOM 0 H ASP A 9 12.533 5.273 -0.115 1.00 0.00 H new ATOM 0 HA ASP A 9 11.036 7.641 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.260 6.898 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.932 8.035 -1.844 1.00 0.00 H new ATOM 132 N ARG A 10 9.310 6.670 -1.252 1.00 0.00 N ATOM 133 CA ARG A 10 8.007 6.226 -1.677 1.00 0.00 C ATOM 134 C ARG A 10 7.759 6.993 -2.946 1.00 0.00 C ATOM 135 O ARG A 10 8.684 7.506 -3.507 1.00 0.00 O ATOM 136 CB ARG A 10 6.934 6.490 -0.637 1.00 0.00 C ATOM 137 CG ARG A 10 6.728 7.955 -0.362 1.00 0.00 C ATOM 138 CD ARG A 10 5.399 8.218 0.325 1.00 0.00 C ATOM 139 NE ARG A 10 5.314 7.559 1.625 1.00 0.00 N ATOM 140 CZ ARG A 10 4.222 7.562 2.383 1.00 0.00 C ATOM 141 NH1 ARG A 10 3.118 8.162 1.960 1.00 0.00 N ATOM 142 NH2 ARG A 10 4.231 6.955 3.562 1.00 0.00 N ATOM 0 H ARG A 10 9.638 7.475 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 10 7.972 5.147 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.994 6.054 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.204 5.986 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.540 8.325 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.769 8.510 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.264 9.292 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.586 7.869 -0.312 1.00 0.00 H new ATOM 0 HE ARG A 10 6.139 7.069 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.105 8.623 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.282 8.162 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.076 6.486 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.393 6.958 4.143 1.00 0.00 H new ATOM 153 N ASN A 11 6.578 7.048 -3.456 1.00 0.00 N ATOM 154 CA ASN A 11 6.392 7.766 -4.687 1.00 0.00 C ATOM 155 C ASN A 11 6.132 9.215 -4.371 1.00 0.00 C ATOM 156 O ASN A 11 5.944 9.575 -3.209 1.00 0.00 O ATOM 157 CB ASN A 11 5.239 7.151 -5.467 1.00 0.00 C ATOM 158 CG ASN A 11 3.971 8.002 -5.610 1.00 0.00 C ATOM 159 OD1 ASN A 11 3.218 7.805 -6.557 1.00 0.00 O ATOM 160 ND2 ASN A 11 3.682 8.887 -4.657 1.00 0.00 N ATOM 0 H ASN A 11 5.741 6.620 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 11 7.287 7.700 -5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.598 6.905 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.966 6.212 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.815 9.422 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.328 9.030 -3.881 1.00 0.00 H new ATOM 166 N GLU A 12 6.122 10.052 -5.385 1.00 0.00 N ATOM 167 CA GLU A 12 5.890 11.448 -5.155 1.00 0.00 C ATOM 168 C GLU A 12 4.464 11.711 -5.317 1.00 0.00 C ATOM 169 O GLU A 12 3.902 11.627 -6.382 1.00 0.00 O ATOM 170 CB GLU A 12 6.608 12.393 -6.107 1.00 0.00 C ATOM 171 CG GLU A 12 8.078 12.638 -5.848 1.00 0.00 C ATOM 172 CD GLU A 12 8.953 11.456 -6.192 1.00 0.00 C ATOM 173 OE1 GLU A 12 8.414 10.434 -6.665 1.00 0.00 O ATOM 174 OE2 GLU A 12 10.183 11.559 -6.000 1.00 0.00 O ATOM 0 H GLU A 12 6.270 9.790 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 12 6.274 11.640 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.502 12.001 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.094 13.354 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.402 13.502 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.217 12.890 -4.797 1.00 0.00 H new ATOM 179 N ASN A 13 3.959 12.142 -4.233 1.00 0.00 N ATOM 180 CA ASN A 13 2.647 12.599 -4.104 1.00 0.00 C ATOM 181 C ASN A 13 2.833 13.981 -4.463 1.00 0.00 C ATOM 182 O ASN A 13 2.076 14.623 -5.183 1.00 0.00 O ATOM 183 CB ASN A 13 2.230 12.512 -2.678 1.00 0.00 C ATOM 184 CG ASN A 13 1.761 11.148 -2.247 1.00 0.00 C ATOM 185 OD1 ASN A 13 0.692 10.737 -2.877 1.00 0.00 O flip ATOM 186 ND2 ASN A 13 2.347 10.493 -1.386 1.00 0.00 N flip ATOM 0 H ASN A 13 4.486 12.186 -3.361 1.00 0.00 H new ATOM 0 HA ASN A 13 1.902 12.057 -4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.069 12.810 -2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.429 13.230 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.178 10.874 -0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.002 9.569 -1.126 1.00 0.00 H new ATOM 192 N TYR A 14 3.973 14.381 -3.995 1.00 0.00 N ATOM 193 CA TYR A 14 4.460 15.617 -4.268 1.00 0.00 C ATOM 194 C TYR A 14 4.409 15.765 -5.734 1.00 0.00 C ATOM 195 O TYR A 14 4.339 16.855 -6.205 1.00 0.00 O ATOM 196 CB TYR A 14 5.910 15.738 -3.777 1.00 0.00 C ATOM 197 CG TYR A 14 6.736 16.747 -4.575 1.00 0.00 C ATOM 198 CD1 TYR A 14 6.162 17.936 -5.014 1.00 0.00 C ATOM 199 CD2 TYR A 14 8.053 16.495 -4.932 1.00 0.00 C ATOM 200 CE1 TYR A 14 6.853 18.836 -5.782 1.00 0.00 C ATOM 201 CE2 TYR A 14 8.766 17.399 -5.705 1.00 0.00 C ATOM 202 CZ TYR A 14 8.160 18.566 -6.132 1.00 0.00 C ATOM 203 OH TYR A 14 8.864 19.466 -6.899 1.00 0.00 O ATOM 0 H TYR A 14 4.576 13.812 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 14 3.878 16.391 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.908 16.030 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.389 14.760 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.141 18.156 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.529 15.583 -4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.379 19.749 -6.111 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.792 17.192 -5.973 1.00 0.00 H new ATOM 0 HH TYR A 14 9.769 19.125 -7.055 1.00 0.00 H new ATOM 212 N GLU A 15 4.415 14.651 -6.459 1.00 0.00 N ATOM 213 CA GLU A 15 4.344 14.762 -7.890 1.00 0.00 C ATOM 214 C GLU A 15 2.988 14.501 -8.350 1.00 0.00 C ATOM 215 O GLU A 15 2.495 15.180 -9.179 1.00 0.00 O ATOM 216 CB GLU A 15 5.302 13.854 -8.625 1.00 0.00 C ATOM 217 CG GLU A 15 4.877 12.396 -8.648 1.00 0.00 C ATOM 218 CD GLU A 15 5.680 11.576 -9.638 1.00 0.00 C ATOM 219 OE1 GLU A 15 5.576 11.844 -10.854 1.00 0.00 O ATOM 220 OE2 GLU A 15 6.424 10.674 -9.198 1.00 0.00 O ATOM 0 H GLU A 15 4.466 13.702 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 15 4.640 15.785 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.407 14.207 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.285 13.928 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.992 11.971 -7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.819 12.333 -8.902 1.00 0.00 H new ATOM 225 N LYS A 16 2.391 13.529 -7.791 1.00 0.00 N ATOM 226 CA LYS A 16 1.055 13.184 -8.196 1.00 0.00 C ATOM 227 C LYS A 16 0.244 14.385 -8.135 1.00 0.00 C ATOM 228 O LYS A 16 -0.208 14.930 -9.122 1.00 0.00 O ATOM 229 CB LYS A 16 0.452 12.174 -7.229 1.00 0.00 C ATOM 230 CG LYS A 16 1.449 11.264 -6.598 1.00 0.00 C ATOM 231 CD LYS A 16 0.785 10.431 -5.582 1.00 0.00 C ATOM 232 CE LYS A 16 0.768 8.975 -5.959 1.00 0.00 C ATOM 233 NZ LYS A 16 -0.221 8.224 -5.147 1.00 0.00 N ATOM 0 H LYS A 16 2.787 12.947 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 16 1.082 12.760 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.080 12.712 -6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.286 11.574 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.910 10.631 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.248 11.846 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.296 10.551 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.238 10.780 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.527 8.873 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.760 8.548 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.602 7.434 -5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.242 7.852 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.997 8.859 -4.871 1.00 0.00 H new ATOM 243 N PHE A 17 0.141 14.806 -6.951 1.00 0.00 N ATOM 244 CA PHE A 17 -0.575 15.976 -6.637 1.00 0.00 C ATOM 245 C PHE A 17 0.061 17.100 -7.357 1.00 0.00 C ATOM 246 O PHE A 17 -0.576 18.076 -7.748 1.00 0.00 O ATOM 247 CB PHE A 17 -0.531 16.155 -5.143 1.00 0.00 C ATOM 248 CG PHE A 17 -1.012 14.882 -4.427 1.00 0.00 C ATOM 249 CD1 PHE A 17 -0.451 13.636 -4.702 1.00 0.00 C ATOM 250 CD2 PHE A 17 -2.101 14.901 -3.562 1.00 0.00 C ATOM 251 CE1 PHE A 17 -0.937 12.508 -4.164 1.00 0.00 C ATOM 252 CE2 PHE A 17 -2.596 13.725 -3.016 1.00 0.00 C ATOM 253 CZ PHE A 17 -1.999 12.519 -3.336 1.00 0.00 C ATOM 0 H PHE A 17 0.560 14.342 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.620 15.925 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.486 16.392 -4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.158 16.999 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.398 13.577 -5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.567 15.843 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.464 11.566 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.442 13.751 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.381 11.596 -2.926 1.00 0.00 H new ATOM 262 N MET A 18 1.328 16.937 -7.570 1.00 0.00 N ATOM 263 CA MET A 18 2.042 17.930 -8.288 1.00 0.00 C ATOM 264 C MET A 18 1.743 17.821 -9.761 1.00 0.00 C ATOM 265 O MET A 18 1.948 18.756 -10.537 1.00 0.00 O ATOM 266 CB MET A 18 3.508 17.751 -8.087 1.00 0.00 C ATOM 267 CG MET A 18 4.323 18.062 -9.321 1.00 0.00 C ATOM 268 SD MET A 18 6.003 17.408 -9.237 1.00 0.00 S ATOM 269 CE MET A 18 6.643 17.908 -10.832 1.00 0.00 C ATOM 0 H MET A 18 1.878 16.136 -7.260 1.00 0.00 H new ATOM 0 HA MET A 18 1.733 18.908 -7.919 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.837 18.394 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.703 16.723 -7.781 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.821 17.648 -10.196 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.366 19.142 -9.459 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.676 17.575 -10.930 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.041 17.460 -11.622 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.602 18.994 -10.916 1.00 0.00 H new ATOM 277 N GLU A 19 1.308 16.656 -10.160 1.00 0.00 N ATOM 278 CA GLU A 19 1.044 16.436 -11.529 1.00 0.00 C ATOM 279 C GLU A 19 -0.444 16.419 -11.737 1.00 0.00 C ATOM 280 O GLU A 19 -0.914 16.209 -12.857 1.00 0.00 O ATOM 281 CB GLU A 19 1.625 15.102 -11.981 1.00 0.00 C ATOM 282 CG GLU A 19 3.074 14.867 -11.548 1.00 0.00 C ATOM 283 CD GLU A 19 3.712 13.680 -12.241 1.00 0.00 C ATOM 284 OE1 GLU A 19 3.200 12.553 -12.079 1.00 0.00 O ATOM 285 OE2 GLU A 19 4.722 13.878 -12.948 1.00 0.00 O ATOM 0 H GLU A 19 1.134 15.858 -9.549 1.00 0.00 H new ATOM 0 HA GLU A 19 1.504 17.233 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.005 14.297 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.569 15.044 -13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.660 15.762 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.105 14.711 -10.470 1.00 0.00 H new ATOM 290 N LYS A 20 -1.209 16.586 -10.651 1.00 0.00 N ATOM 291 CA LYS A 20 -2.649 16.511 -10.819 1.00 0.00 C ATOM 292 C LYS A 20 -3.453 17.238 -9.752 1.00 0.00 C ATOM 293 O LYS A 20 -4.469 17.863 -10.060 1.00 0.00 O ATOM 294 CB LYS A 20 -3.067 15.045 -10.849 1.00 0.00 C ATOM 295 CG LYS A 20 -2.672 14.281 -9.594 1.00 0.00 C ATOM 296 CD LYS A 20 -3.044 12.810 -9.700 1.00 0.00 C ATOM 297 CE LYS A 20 -4.540 12.626 -9.907 1.00 0.00 C ATOM 298 NZ LYS A 20 -4.913 11.190 -10.027 1.00 0.00 N ATOM 0 H LYS A 20 -0.874 16.763 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.872 17.019 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.148 14.985 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.616 14.563 -11.716 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.598 14.376 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.166 14.721 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.502 12.356 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.734 12.289 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.079 13.072 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.850 13.158 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.770 11.101 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.134 10.665 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.096 10.799 -9.081 1.00 0.00 H new ATOM 308 N MET A 21 -3.029 17.125 -8.504 1.00 0.00 N ATOM 309 CA MET A 21 -3.740 17.741 -7.400 1.00 0.00 C ATOM 310 C MET A 21 -4.188 19.143 -7.731 1.00 0.00 C ATOM 311 O MET A 21 -5.367 19.492 -7.682 1.00 0.00 O ATOM 312 CB MET A 21 -2.827 17.845 -6.209 1.00 0.00 C ATOM 313 CG MET A 21 -3.367 17.212 -4.969 1.00 0.00 C ATOM 314 SD MET A 21 -4.514 18.261 -4.055 1.00 0.00 S ATOM 315 CE MET A 21 -3.445 19.627 -3.611 1.00 0.00 C ATOM 0 H MET A 21 -2.192 16.610 -8.231 1.00 0.00 H new ATOM 0 HA MET A 21 -4.610 17.117 -7.195 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.872 17.380 -6.455 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.627 18.898 -6.009 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.873 16.284 -5.237 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.535 16.945 -4.317 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.811 20.093 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.432 19.259 -3.450 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.440 20.362 -4.416 1.00 0.00 H new ATOM 323 N GLY A 22 -3.187 19.935 -8.029 1.00 0.00 N ATOM 324 CA GLY A 22 -3.362 21.337 -8.338 1.00 0.00 C ATOM 325 C GLY A 22 -2.028 22.013 -8.217 1.00 0.00 C ATOM 326 O GLY A 22 -1.754 23.024 -8.859 1.00 0.00 O ATOM 0 H GLY A 22 -2.217 19.623 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.759 21.458 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.081 21.790 -7.656 1.00 0.00 H new ATOM 330 N ILE A 23 -1.190 21.379 -7.397 1.00 0.00 N ATOM 331 CA ILE A 23 0.175 21.799 -7.146 1.00 0.00 C ATOM 332 C ILE A 23 0.254 23.211 -6.563 1.00 0.00 C ATOM 333 O ILE A 23 -0.171 24.189 -7.179 1.00 0.00 O ATOM 334 CB ILE A 23 1.019 21.649 -8.431 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.054 22.937 -9.263 1.00 0.00 C ATOM 336 CG2 ILE A 23 0.434 20.507 -9.258 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.937 22.845 -10.490 1.00 0.00 C ATOM 0 H ILE A 23 -1.454 20.540 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 23 0.595 21.143 -6.383 1.00 0.00 H new ATOM 0 HB ILE A 23 2.049 21.435 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.039 23.186 -9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.404 23.756 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.016 20.384 -10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.468 19.584 -8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.600 20.736 -9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.912 23.793 -11.028 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.961 22.627 -10.186 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.575 22.049 -11.140 1.00 0.00 H new ATOM 348 N ASN A 24 0.796 23.281 -5.347 1.00 0.00 N ATOM 349 CA ASN A 24 0.955 24.533 -4.610 1.00 0.00 C ATOM 350 C ASN A 24 1.280 24.218 -3.160 1.00 0.00 C ATOM 351 O ASN A 24 2.240 24.739 -2.591 1.00 0.00 O ATOM 352 CB ASN A 24 -0.323 25.372 -4.659 1.00 0.00 C ATOM 353 CG ASN A 24 -0.140 26.770 -4.087 1.00 0.00 C ATOM 354 OD1 ASN A 24 1.084 27.106 -3.691 1.00 0.00 O flip ATOM 355 ND2 ASN A 24 -1.093 27.544 -4.009 1.00 0.00 N flip ATOM 0 H ASN A 24 1.139 22.464 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 24 1.762 25.102 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.660 25.450 -5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.109 24.859 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.017 27.248 -4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.959 28.481 -3.630 1.00 0.00 H new ATOM 361 N VAL A 25 0.464 23.347 -2.576 1.00 0.00 N ATOM 362 CA VAL A 25 0.643 22.930 -1.197 1.00 0.00 C ATOM 363 C VAL A 25 0.772 21.415 -1.119 1.00 0.00 C ATOM 364 O VAL A 25 -0.177 20.682 -1.393 1.00 0.00 O ATOM 365 CB VAL A 25 -0.533 23.387 -0.315 1.00 0.00 C ATOM 366 CG1 VAL A 25 -0.273 23.043 1.144 1.00 0.00 C ATOM 367 CG2 VAL A 25 -0.779 24.879 -0.485 1.00 0.00 C ATOM 0 H VAL A 25 -0.333 22.915 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 25 1.555 23.397 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.430 22.856 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.115 23.374 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.152 21.965 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.635 23.544 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.614 25.184 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.115 25.431 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.015 25.092 -1.528 1.00 0.00 H new ATOM 377 N VAL A 26 1.965 20.964 -0.760 1.00 0.00 N ATOM 378 CA VAL A 26 2.267 19.537 -0.648 1.00 0.00 C ATOM 379 C VAL A 26 1.382 18.813 0.373 1.00 0.00 C ATOM 380 O VAL A 26 1.835 18.483 1.469 1.00 0.00 O ATOM 381 CB VAL A 26 3.748 19.311 -0.276 1.00 0.00 C ATOM 382 CG1 VAL A 26 4.638 19.483 -1.497 1.00 0.00 C ATOM 383 CG2 VAL A 26 4.171 20.258 0.838 1.00 0.00 C ATOM 0 H VAL A 26 2.753 21.573 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 26 2.059 19.115 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 26 3.860 18.289 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.678 19.320 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.351 18.760 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.523 20.493 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.218 20.083 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.044 21.289 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.555 20.081 1.720 1.00 0.00 H new ATOM 393 N LYS A 27 0.130 18.539 -0.001 1.00 0.00 N ATOM 394 CA LYS A 27 -0.789 17.816 0.879 1.00 0.00 C ATOM 395 C LYS A 27 -0.273 16.393 1.068 1.00 0.00 C ATOM 396 O LYS A 27 0.702 16.177 1.788 1.00 0.00 O ATOM 397 CB LYS A 27 -2.207 17.807 0.296 1.00 0.00 C ATOM 398 CG LYS A 27 -2.826 19.190 0.115 1.00 0.00 C ATOM 399 CD LYS A 27 -3.292 19.800 1.434 1.00 0.00 C ATOM 400 CE LYS A 27 -2.134 20.323 2.269 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.601 20.957 3.534 1.00 0.00 N ATOM 0 H LYS A 27 -0.268 18.805 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.836 18.317 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.186 17.303 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.851 17.217 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.096 19.853 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.673 19.119 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.987 20.615 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.839 19.050 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.456 19.502 2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.566 21.049 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.781 21.300 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.228 21.756 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.121 20.258 4.102 1.00 0.00 H new ATOM 411 N ARG A 28 -0.885 15.423 0.381 1.00 0.00 N ATOM 412 CA ARG A 28 -0.410 14.045 0.458 1.00 0.00 C ATOM 413 C ARG A 28 1.023 14.041 -0.009 1.00 0.00 C ATOM 414 O ARG A 28 1.777 13.126 0.293 1.00 0.00 O ATOM 415 CB ARG A 28 -1.203 13.116 -0.468 1.00 0.00 C ATOM 416 CG ARG A 28 -1.249 11.628 -0.102 1.00 0.00 C ATOM 417 CD ARG A 28 0.010 11.115 0.579 1.00 0.00 C ATOM 418 NE ARG A 28 0.187 11.682 1.916 1.00 0.00 N ATOM 419 CZ ARG A 28 1.240 11.438 2.690 1.00 0.00 C ATOM 420 NH1 ARG A 28 2.217 10.652 2.261 1.00 0.00 N ATOM 421 NH2 ARG A 28 1.318 11.988 3.894 1.00 0.00 N ATOM 0 H ARG A 28 -1.695 15.565 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.524 13.690 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.228 13.483 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.786 13.204 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.101 11.453 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.421 11.047 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.035 10.028 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.877 11.358 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.540 12.301 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.163 10.231 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.023 10.468 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.570 12.598 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.125 11.801 4.489 1.00 0.00 H new ATOM 432 N LYS A 29 1.369 15.070 -0.794 1.00 0.00 N ATOM 433 CA LYS A 29 2.694 15.188 -1.356 1.00 0.00 C ATOM 434 C LYS A 29 3.782 14.851 -0.379 1.00 0.00 C ATOM 435 O LYS A 29 3.846 13.745 0.155 1.00 0.00 O ATOM 436 CB LYS A 29 2.987 16.548 -1.935 1.00 0.00 C ATOM 437 CG LYS A 29 2.043 17.004 -3.018 1.00 0.00 C ATOM 438 CD LYS A 29 2.668 18.151 -3.783 1.00 0.00 C ATOM 439 CE LYS A 29 2.015 18.350 -5.118 1.00 0.00 C ATOM 440 NZ LYS A 29 0.655 18.943 -5.004 1.00 0.00 N ATOM 0 H LYS A 29 0.736 15.829 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 29 2.692 14.455 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.968 17.280 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.000 16.543 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.823 16.178 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.095 17.318 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.585 19.067 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.731 17.958 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.640 18.998 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.948 17.391 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.207 18.966 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.078 18.367 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.729 19.911 -4.631 1.00 0.00 H new ATOM 450 N LEU A 30 4.741 15.754 -0.267 1.00 0.00 N ATOM 451 CA LEU A 30 5.905 15.457 0.522 1.00 0.00 C ATOM 452 C LEU A 30 6.553 14.337 -0.250 1.00 0.00 C ATOM 453 O LEU A 30 7.511 13.699 0.181 1.00 0.00 O ATOM 454 CB LEU A 30 5.535 15.011 1.942 1.00 0.00 C ATOM 455 CG LEU A 30 4.793 16.051 2.787 1.00 0.00 C ATOM 456 CD1 LEU A 30 4.410 15.464 4.137 1.00 0.00 C ATOM 457 CD2 LEU A 30 5.647 17.297 2.973 1.00 0.00 C ATOM 0 H LEU A 30 4.732 16.676 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 30 6.554 16.321 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.917 14.116 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.449 14.728 2.465 1.00 0.00 H new ATOM 0 HG LEU A 30 3.881 16.334 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.884 16.216 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.761 14.601 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.310 15.154 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.103 18.024 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.576 17.030 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.875 17.731 1.999 1.00 0.00 H new ATOM 468 N GLY A 31 5.949 14.128 -1.435 1.00 0.00 N ATOM 469 CA GLY A 31 6.351 13.130 -2.356 1.00 0.00 C ATOM 470 C GLY A 31 7.854 13.099 -2.575 1.00 0.00 C ATOM 471 O GLY A 31 8.377 12.148 -3.118 1.00 0.00 O ATOM 0 H GLY A 31 5.152 14.679 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.021 12.156 -1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.853 13.302 -3.310 1.00 0.00 H new ATOM 475 N ALA A 32 8.552 14.156 -2.159 1.00 0.00 N ATOM 476 CA ALA A 32 9.999 14.231 -2.328 1.00 0.00 C ATOM 477 C ALA A 32 10.729 13.871 -1.042 1.00 0.00 C ATOM 478 O ALA A 32 10.115 13.750 0.019 1.00 0.00 O ATOM 479 CB ALA A 32 10.410 15.621 -2.787 1.00 0.00 C ATOM 0 H ALA A 32 8.138 14.969 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 32 10.279 13.505 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.493 15.659 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.930 15.846 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.102 16.356 -2.043 1.00 0.00 H new ATOM 485 N HIS A 33 12.048 13.714 -1.151 1.00 0.00 N ATOM 486 CA HIS A 33 12.899 13.381 -0.022 1.00 0.00 C ATOM 487 C HIS A 33 12.220 12.364 0.883 1.00 0.00 C ATOM 488 O HIS A 33 11.831 11.288 0.430 1.00 0.00 O ATOM 489 CB HIS A 33 13.308 14.658 0.742 1.00 0.00 C ATOM 490 CG HIS A 33 12.169 15.500 1.246 1.00 0.00 C ATOM 491 ND1 HIS A 33 11.288 16.158 0.413 1.00 0.00 N ATOM 492 CD2 HIS A 33 11.780 15.798 2.509 1.00 0.00 C ATOM 493 CE1 HIS A 33 10.409 16.823 1.142 1.00 0.00 C ATOM 494 NE2 HIS A 33 10.684 16.620 2.417 1.00 0.00 N ATOM 0 H HIS A 33 12.553 13.816 -2.031 1.00 0.00 H new ATOM 0 HA HIS A 33 13.813 12.918 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.928 14.370 1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.928 15.270 0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.246 15.453 3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.602 17.430 0.759 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.167 17.010 3.205 1.00 0.00 H new ATOM 502 N ALA A 34 12.063 12.715 2.147 1.00 0.00 N ATOM 503 CA ALA A 34 11.411 11.852 3.111 1.00 0.00 C ATOM 504 C ALA A 34 12.225 10.592 3.421 1.00 0.00 C ATOM 505 O ALA A 34 12.934 10.068 2.564 1.00 0.00 O ATOM 506 CB ALA A 34 10.021 11.481 2.620 1.00 0.00 C ATOM 0 H ALA A 34 12.383 13.604 2.531 1.00 0.00 H new ATOM 0 HA ALA A 34 11.331 12.411 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.538 10.832 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.427 12.386 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.099 10.958 1.667 1.00 0.00 H new ATOM 512 N ASN A 35 12.099 10.112 4.661 1.00 0.00 N ATOM 513 CA ASN A 35 12.798 8.906 5.114 1.00 0.00 C ATOM 514 C ASN A 35 11.813 7.965 5.778 1.00 0.00 C ATOM 515 O ASN A 35 10.848 8.404 6.402 1.00 0.00 O ATOM 516 CB ASN A 35 13.933 9.258 6.077 1.00 0.00 C ATOM 517 CG ASN A 35 14.955 10.189 5.454 1.00 0.00 C ATOM 518 OD1 ASN A 35 15.582 9.859 4.447 1.00 0.00 O ATOM 519 ND2 ASN A 35 15.130 11.360 6.056 1.00 0.00 N ATOM 0 H ASN A 35 11.514 10.545 5.375 1.00 0.00 H new ATOM 0 HA ASN A 35 13.238 8.412 4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.516 9.726 6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.429 8.342 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.806 12.028 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.588 11.591 6.889 1.00 0.00 H new ATOM 525 N LEU A 36 12.031 6.669 5.593 1.00 0.00 N ATOM 526 CA LEU A 36 11.145 5.671 6.114 1.00 0.00 C ATOM 527 C LEU A 36 11.818 4.323 5.967 1.00 0.00 C ATOM 528 O LEU A 36 12.678 4.175 5.102 1.00 0.00 O ATOM 529 CB LEU A 36 9.842 5.747 5.320 1.00 0.00 C ATOM 530 CG LEU A 36 9.882 5.112 3.933 1.00 0.00 C ATOM 531 CD1 LEU A 36 8.695 5.570 3.083 1.00 0.00 C ATOM 532 CD2 LEU A 36 11.200 5.361 3.207 1.00 0.00 C ATOM 0 H LEU A 36 12.828 6.295 5.078 1.00 0.00 H new ATOM 0 HA LEU A 36 10.919 5.826 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.055 5.264 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.562 6.795 5.213 1.00 0.00 H new ATOM 0 HG LEU A 36 9.806 4.035 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.749 5.102 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.765 5.281 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.724 6.654 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.171 4.886 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.352 6.434 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.021 4.941 3.789 1.00 0.00 H new ATOM 543 N LYS A 37 11.490 3.332 6.779 1.00 0.00 N ATOM 544 CA LYS A 37 12.174 2.079 6.586 1.00 0.00 C ATOM 545 C LYS A 37 11.206 1.017 6.093 1.00 0.00 C ATOM 546 O LYS A 37 10.031 1.071 6.442 1.00 0.00 O ATOM 547 CB LYS A 37 12.926 1.648 7.846 1.00 0.00 C ATOM 548 CG LYS A 37 12.029 1.234 8.998 1.00 0.00 C ATOM 549 CD LYS A 37 11.568 -0.204 8.865 1.00 0.00 C ATOM 550 CE LYS A 37 12.735 -1.179 8.904 1.00 0.00 C ATOM 551 NZ LYS A 37 13.503 -1.075 10.174 1.00 0.00 N ATOM 0 H LYS A 37 10.800 3.367 7.529 1.00 0.00 H new ATOM 0 HA LYS A 37 12.931 2.214 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.584 0.816 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.563 2.470 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.565 1.358 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.161 1.892 9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.872 -0.438 9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.024 -0.326 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.362 -2.197 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.399 -0.985 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.143 -1.890 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.059 -0.196 10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.844 -1.066 10.978 1.00 0.00 H new ATOM 561 N LEU A 38 11.658 0.075 5.245 1.00 0.00 N ATOM 562 CA LEU A 38 10.737 -0.918 4.729 1.00 0.00 C ATOM 563 C LEU A 38 11.207 -2.343 4.973 1.00 0.00 C ATOM 564 O LEU A 38 12.237 -2.746 4.476 1.00 0.00 O ATOM 565 CB LEU A 38 10.589 -0.726 3.231 1.00 0.00 C ATOM 566 CG LEU A 38 9.250 -1.161 2.620 1.00 0.00 C ATOM 567 CD1 LEU A 38 9.412 -1.426 1.142 1.00 0.00 C ATOM 568 CD2 LEU A 38 8.670 -2.390 3.308 1.00 0.00 C ATOM 0 H LEU A 38 12.621 -0.009 4.920 1.00 0.00 H new ATOM 0 HA LEU A 38 9.792 -0.778 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.742 0.329 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.387 -1.278 2.735 1.00 0.00 H new ATOM 0 HG LEU A 38 8.548 -0.341 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.455 -1.734 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.752 -0.518 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.146 -2.218 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.723 -2.657 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.368 -3.222 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.503 -2.172 4.363 1.00 0.00 H new ATOM 579 N THR A 39 10.401 -3.115 5.682 1.00 0.00 N ATOM 580 CA THR A 39 10.693 -4.517 5.932 1.00 0.00 C ATOM 581 C THR A 39 9.357 -5.263 5.704 1.00 0.00 C ATOM 582 O THR A 39 8.345 -4.576 5.580 1.00 0.00 O ATOM 583 CB THR A 39 11.247 -4.709 7.357 1.00 0.00 C ATOM 584 OG1 THR A 39 12.430 -3.922 7.525 1.00 0.00 O ATOM 585 CG2 THR A 39 11.569 -6.171 7.630 1.00 0.00 C ATOM 0 H THR A 39 9.529 -2.790 6.099 1.00 0.00 H new ATOM 0 HA THR A 39 11.465 -4.908 5.269 1.00 0.00 H new ATOM 0 HB THR A 39 10.483 -4.387 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.689 -3.532 6.664 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.958 -6.275 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.663 -6.769 7.526 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.317 -6.518 6.917 1.00 0.00 H new ATOM 593 N ILE A 40 9.287 -6.612 5.607 1.00 0.00 N ATOM 594 CA ILE A 40 8.002 -7.263 5.348 1.00 0.00 C ATOM 595 C ILE A 40 8.081 -8.748 5.698 1.00 0.00 C ATOM 596 O ILE A 40 8.911 -9.474 5.151 1.00 0.00 O ATOM 597 CB ILE A 40 7.600 -7.162 3.850 1.00 0.00 C ATOM 598 CG1 ILE A 40 8.396 -8.148 3.014 1.00 0.00 C ATOM 599 CG2 ILE A 40 7.739 -5.757 3.283 1.00 0.00 C ATOM 600 CD1 ILE A 40 9.900 -7.970 3.091 1.00 0.00 C ATOM 0 H ILE A 40 10.082 -7.244 5.702 1.00 0.00 H new ATOM 0 HA ILE A 40 7.261 -6.753 5.964 1.00 0.00 H new ATOM 0 HB ILE A 40 6.541 -7.415 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.146 -9.160 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.085 -8.056 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.442 -5.757 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.098 -5.074 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.776 -5.432 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.387 -8.716 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.167 -6.972 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.229 -8.093 4.123 1.00 0.00 H new ATOM 611 N THR A 41 7.258 -9.224 6.619 1.00 0.00 N ATOM 612 CA THR A 41 7.355 -10.641 6.949 1.00 0.00 C ATOM 613 C THR A 41 6.295 -11.136 7.945 1.00 0.00 C ATOM 614 O THR A 41 6.142 -10.552 9.019 1.00 0.00 O ATOM 615 CB THR A 41 8.783 -10.948 7.438 1.00 0.00 C ATOM 616 OG1 THR A 41 8.933 -12.338 7.747 1.00 0.00 O ATOM 617 CG2 THR A 41 9.179 -10.103 8.626 1.00 0.00 C ATOM 0 H THR A 41 6.553 -8.689 7.127 1.00 0.00 H new ATOM 0 HA THR A 41 7.144 -11.197 6.036 1.00 0.00 H new ATOM 0 HB THR A 41 9.454 -10.694 6.618 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.421 -12.783 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.194 -10.358 8.932 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.136 -9.049 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.493 -10.292 9.452 1.00 0.00 H new ATOM 625 N GLN A 42 5.592 -12.240 7.618 1.00 0.00 N ATOM 626 CA GLN A 42 4.605 -12.802 8.530 1.00 0.00 C ATOM 627 C GLN A 42 3.945 -14.049 7.981 1.00 0.00 C ATOM 628 O GLN A 42 4.184 -15.158 8.458 1.00 0.00 O ATOM 629 CB GLN A 42 3.486 -11.830 8.862 1.00 0.00 C ATOM 630 CG GLN A 42 2.366 -12.523 9.614 1.00 0.00 C ATOM 631 CD GLN A 42 2.760 -12.918 11.025 1.00 0.00 C ATOM 632 OE1 GLN A 42 3.675 -13.717 11.227 1.00 0.00 O ATOM 633 NE2 GLN A 42 2.071 -12.356 12.010 1.00 0.00 N ATOM 0 H GLN A 42 5.695 -12.746 6.738 1.00 0.00 H new ATOM 0 HA GLN A 42 5.181 -13.037 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.879 -11.010 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.095 -11.393 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.500 -11.863 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.062 -13.414 9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.320 -11.699 11.797 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.292 -12.581 12.980 1.00 0.00 H new ATOM 640 N GLU A 43 3.071 -13.846 7.007 1.00 0.00 N ATOM 641 CA GLU A 43 2.329 -14.926 6.430 1.00 0.00 C ATOM 642 C GLU A 43 2.798 -15.142 5.020 1.00 0.00 C ATOM 643 O GLU A 43 3.471 -14.258 4.490 1.00 0.00 O ATOM 644 CB GLU A 43 0.846 -14.583 6.453 1.00 0.00 C ATOM 645 CG GLU A 43 0.288 -14.422 7.853 1.00 0.00 C ATOM 646 CD GLU A 43 -1.220 -14.271 7.869 1.00 0.00 C ATOM 647 OE1 GLU A 43 -1.728 -13.311 7.250 1.00 0.00 O ATOM 648 OE2 GLU A 43 -1.894 -15.111 8.500 1.00 0.00 O ATOM 0 H GLU A 43 2.866 -12.931 6.606 1.00 0.00 H new ATOM 0 HA GLU A 43 2.486 -15.841 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.685 -13.659 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.291 -15.366 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.569 -15.288 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.741 -13.549 8.322 1.00 0.00 H new ATOM 653 N GLY A 44 2.472 -16.257 4.354 1.00 0.00 N ATOM 654 CA GLY A 44 2.979 -16.287 3.019 1.00 0.00 C ATOM 655 C GLY A 44 1.932 -16.003 1.969 1.00 0.00 C ATOM 656 O GLY A 44 1.569 -16.825 1.127 1.00 0.00 O ATOM 0 H GLY A 44 1.925 -17.052 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.781 -15.555 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.417 -17.266 2.828 1.00 0.00 H new ATOM 660 N ASN A 45 1.637 -14.731 1.973 1.00 0.00 N ATOM 661 CA ASN A 45 0.831 -13.984 1.031 1.00 0.00 C ATOM 662 C ASN A 45 0.736 -12.657 1.716 1.00 0.00 C ATOM 663 O ASN A 45 -0.246 -12.391 2.411 1.00 0.00 O ATOM 664 CB ASN A 45 -0.561 -14.579 0.798 1.00 0.00 C ATOM 665 CG ASN A 45 -1.275 -15.029 2.072 1.00 0.00 C ATOM 666 OD1 ASN A 45 -0.587 -15.012 3.215 1.00 0.00 O flip ATOM 667 ND2 ASN A 45 -2.446 -15.407 2.025 1.00 0.00 N flip ATOM 0 H ASN A 45 1.991 -14.124 2.713 1.00 0.00 H new ATOM 0 HA ASN A 45 1.265 -13.965 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.180 -13.838 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.471 -15.432 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.946 -15.409 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.916 -15.718 2.875 1.00 0.00 H new ATOM 673 N LYS A 46 1.769 -11.865 1.613 1.00 0.00 N ATOM 674 CA LYS A 46 1.778 -10.626 2.345 1.00 0.00 C ATOM 675 C LYS A 46 3.092 -9.908 2.123 1.00 0.00 C ATOM 676 O LYS A 46 4.064 -10.523 1.685 1.00 0.00 O ATOM 677 CB LYS A 46 1.614 -10.985 3.831 1.00 0.00 C ATOM 678 CG LYS A 46 1.807 -9.860 4.825 1.00 0.00 C ATOM 679 CD LYS A 46 1.668 -10.399 6.243 1.00 0.00 C ATOM 680 CE LYS A 46 0.311 -11.038 6.473 1.00 0.00 C ATOM 681 NZ LYS A 46 0.090 -11.365 7.906 1.00 0.00 N ATOM 0 H LYS A 46 2.596 -12.047 1.045 1.00 0.00 H new ATOM 0 HA LYS A 46 0.975 -9.967 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.615 -11.398 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.324 -11.777 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.790 -9.409 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.070 -9.076 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.452 -11.133 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.813 -9.587 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.472 -10.362 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.231 -11.947 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.894 -11.673 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.735 -12.129 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.274 -10.522 8.487 1.00 0.00 H new ATOM 691 N PHE A 47 3.177 -8.662 2.528 1.00 0.00 N ATOM 692 CA PHE A 47 4.454 -7.976 2.464 1.00 0.00 C ATOM 693 C PHE A 47 4.388 -6.825 3.443 1.00 0.00 C ATOM 694 O PHE A 47 3.753 -5.803 3.184 1.00 0.00 O ATOM 695 CB PHE A 47 4.787 -7.516 1.032 1.00 0.00 C ATOM 696 CG PHE A 47 4.333 -6.129 0.722 1.00 0.00 C ATOM 697 CD1 PHE A 47 3.019 -5.883 0.390 1.00 0.00 C ATOM 698 CD2 PHE A 47 5.217 -5.064 0.798 1.00 0.00 C ATOM 699 CE1 PHE A 47 2.589 -4.604 0.140 1.00 0.00 C ATOM 700 CE2 PHE A 47 4.793 -3.778 0.542 1.00 0.00 C ATOM 701 CZ PHE A 47 3.475 -3.546 0.214 1.00 0.00 C ATOM 0 H PHE A 47 2.402 -8.111 2.897 1.00 0.00 H new ATOM 0 HA PHE A 47 5.266 -8.650 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.865 -7.577 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.328 -8.205 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.321 -6.704 0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.249 -5.244 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.555 -4.424 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.491 -2.956 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.135 -2.540 0.015 1.00 0.00 H new ATOM 710 N THR A 48 4.988 -6.996 4.613 1.00 0.00 N ATOM 711 CA THR A 48 4.892 -5.926 5.573 1.00 0.00 C ATOM 712 C THR A 48 5.686 -6.092 6.855 1.00 0.00 C ATOM 713 O THR A 48 5.482 -7.045 7.597 1.00 0.00 O ATOM 714 CB THR A 48 3.443 -5.726 5.943 1.00 0.00 C ATOM 715 OG1 THR A 48 3.231 -4.342 6.187 1.00 0.00 O ATOM 716 CG2 THR A 48 3.101 -6.509 7.186 1.00 0.00 C ATOM 0 H THR A 48 5.516 -7.819 4.903 1.00 0.00 H new ATOM 0 HA THR A 48 5.334 -5.068 5.067 1.00 0.00 H new ATOM 0 HB THR A 48 2.809 -6.076 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.314 -4.202 6.502 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.052 -6.352 7.438 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.277 -7.570 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.727 -6.171 8.012 1.00 0.00 H new ATOM 724 N VAL A 49 6.523 -5.115 7.141 1.00 0.00 N ATOM 725 CA VAL A 49 7.269 -5.069 8.387 1.00 0.00 C ATOM 726 C VAL A 49 8.048 -3.776 8.424 1.00 0.00 C ATOM 727 O VAL A 49 9.056 -3.728 7.798 1.00 0.00 O ATOM 728 CB VAL A 49 8.317 -6.193 8.531 1.00 0.00 C ATOM 729 CG1 VAL A 49 9.258 -5.897 9.684 1.00 0.00 C ATOM 730 CG2 VAL A 49 7.710 -7.551 8.735 1.00 0.00 C ATOM 0 H VAL A 49 6.707 -4.329 6.517 1.00 0.00 H new ATOM 0 HA VAL A 49 6.534 -5.173 9.185 1.00 0.00 H new ATOM 0 HB VAL A 49 8.862 -6.215 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.990 -6.700 9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.773 -4.954 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.687 -5.824 10.610 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.503 -8.293 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.107 -7.547 9.643 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.079 -7.799 7.882 1.00 0.00 H new ATOM 740 N LYS A 50 7.681 -2.718 9.091 1.00 0.00 N ATOM 741 CA LYS A 50 8.580 -1.590 9.011 1.00 0.00 C ATOM 742 C LYS A 50 8.113 -0.453 9.862 1.00 0.00 C ATOM 743 O LYS A 50 6.960 -0.063 9.758 1.00 0.00 O ATOM 744 CB LYS A 50 8.741 -1.131 7.570 1.00 0.00 C ATOM 745 CG LYS A 50 7.445 -0.727 6.932 1.00 0.00 C ATOM 746 CD LYS A 50 7.578 -0.236 5.511 1.00 0.00 C ATOM 747 CE LYS A 50 6.343 -0.627 4.720 1.00 0.00 C ATOM 748 NZ LYS A 50 6.418 -0.178 3.302 1.00 0.00 N ATOM 0 H LYS A 50 6.838 -2.607 9.654 1.00 0.00 H new ATOM 0 HA LYS A 50 9.548 -1.919 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.432 -0.289 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.191 -1.935 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.765 -1.579 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.987 0.058 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.702 0.847 5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.468 -0.663 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.222 -1.710 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.460 -0.194 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.529 0.294 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.209 0.487 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.568 -1.001 2.685 1.00 0.00 H new ATOM 758 N GLU A 51 8.971 0.144 10.649 1.00 0.00 N ATOM 759 CA GLU A 51 8.498 1.280 11.390 1.00 0.00 C ATOM 760 C GLU A 51 9.495 2.423 11.327 1.00 0.00 C ATOM 761 O GLU A 51 10.323 2.597 12.221 1.00 0.00 O ATOM 762 CB GLU A 51 8.258 0.885 12.851 1.00 0.00 C ATOM 763 CG GLU A 51 7.419 -0.374 13.023 1.00 0.00 C ATOM 764 CD GLU A 51 7.251 -0.770 14.477 1.00 0.00 C ATOM 765 OE1 GLU A 51 7.779 -0.054 15.355 1.00 0.00 O ATOM 766 OE2 GLU A 51 6.591 -1.798 14.738 1.00 0.00 O ATOM 0 H GLU A 51 9.947 -0.119 10.789 1.00 0.00 H new ATOM 0 HA GLU A 51 7.562 1.614 10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.221 0.737 13.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.765 1.711 13.363 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.437 -0.215 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.886 -1.195 12.479 1.00 0.00 H new ATOM 771 N SER A 52 9.328 3.259 10.304 1.00 0.00 N ATOM 772 CA SER A 52 10.111 4.458 10.145 1.00 0.00 C ATOM 773 C SER A 52 9.544 5.274 9.005 1.00 0.00 C ATOM 774 O SER A 52 9.308 4.740 7.926 1.00 0.00 O ATOM 775 CB SER A 52 11.584 4.151 9.963 1.00 0.00 C ATOM 776 OG SER A 52 12.098 4.684 8.759 1.00 0.00 O ATOM 0 H SER A 52 8.640 3.113 9.565 1.00 0.00 H new ATOM 0 HA SER A 52 10.047 5.050 11.058 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.144 4.556 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.732 3.071 9.972 1.00 0.00 H new ATOM 0 HG SER A 52 13.075 4.605 8.757 1.00 0.00 H new ATOM 781 N SER A 53 9.307 6.554 9.250 1.00 0.00 N ATOM 782 CA SER A 53 8.753 7.432 8.228 1.00 0.00 C ATOM 783 C SER A 53 8.883 8.892 8.634 1.00 0.00 C ATOM 784 O SER A 53 9.210 9.208 9.777 1.00 0.00 O ATOM 785 CB SER A 53 7.287 7.103 7.913 1.00 0.00 C ATOM 786 OG SER A 53 7.141 5.777 7.438 1.00 0.00 O ATOM 0 H SER A 53 9.489 7.008 10.145 1.00 0.00 H new ATOM 0 HA SER A 53 9.334 7.262 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.682 7.237 8.810 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.909 7.801 7.166 1.00 0.00 H new ATOM 0 HG SER A 53 8.003 5.314 7.489 1.00 0.00 H new ATOM 791 N ASN A 54 8.642 9.760 7.663 1.00 0.00 N ATOM 792 CA ASN A 54 8.730 11.215 7.839 1.00 0.00 C ATOM 793 C ASN A 54 8.234 11.691 9.210 1.00 0.00 C ATOM 794 O ASN A 54 8.646 12.749 9.686 1.00 0.00 O ATOM 795 CB ASN A 54 7.914 11.912 6.748 1.00 0.00 C ATOM 796 CG ASN A 54 8.213 11.392 5.353 1.00 0.00 C ATOM 797 OD1 ASN A 54 9.178 10.484 5.241 1.00 0.00 O flip ATOM 798 ND2 ASN A 54 7.582 11.808 4.381 1.00 0.00 N flip ATOM 0 H ASN A 54 8.377 9.479 6.719 1.00 0.00 H new ATOM 0 HA ASN A 54 9.786 11.474 7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.852 11.781 6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.116 12.983 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.849 12.505 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.793 11.455 3.447 1.00 0.00 H new ATOM 804 N PHE A 55 7.340 10.929 9.835 1.00 0.00 N ATOM 805 CA PHE A 55 6.792 11.313 11.137 1.00 0.00 C ATOM 806 C PHE A 55 6.291 10.093 11.905 1.00 0.00 C ATOM 807 O PHE A 55 6.498 9.975 13.112 1.00 0.00 O ATOM 808 CB PHE A 55 5.653 12.319 10.942 1.00 0.00 C ATOM 809 CG PHE A 55 5.057 12.837 12.222 1.00 0.00 C ATOM 810 CD1 PHE A 55 5.865 13.219 13.282 1.00 0.00 C ATOM 811 CD2 PHE A 55 3.683 12.949 12.358 1.00 0.00 C ATOM 812 CE1 PHE A 55 5.312 13.703 14.454 1.00 0.00 C ATOM 813 CE2 PHE A 55 3.125 13.431 13.527 1.00 0.00 C ATOM 814 CZ PHE A 55 3.940 13.809 14.576 1.00 0.00 C ATOM 0 H PHE A 55 6.981 10.048 9.466 1.00 0.00 H new ATOM 0 HA PHE A 55 7.587 11.775 11.722 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.025 13.163 10.361 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.866 11.849 10.353 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.938 13.138 13.192 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.040 12.656 11.541 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.952 13.998 15.273 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.052 13.512 13.620 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.506 14.187 15.490 1.00 0.00 H new ATOM 823 N ARG A 56 5.645 9.186 11.187 1.00 0.00 N ATOM 824 CA ARG A 56 5.121 7.960 11.773 1.00 0.00 C ATOM 825 C ARG A 56 6.039 6.800 11.420 1.00 0.00 C ATOM 826 O ARG A 56 6.926 6.948 10.593 1.00 0.00 O ATOM 827 CB ARG A 56 3.701 7.690 11.272 1.00 0.00 C ATOM 828 CG ARG A 56 2.700 8.755 11.690 1.00 0.00 C ATOM 829 CD ARG A 56 1.309 8.458 11.154 1.00 0.00 C ATOM 830 NE ARG A 56 0.325 9.444 11.599 1.00 0.00 N ATOM 831 CZ ARG A 56 0.373 10.735 11.284 1.00 0.00 C ATOM 832 NH1 ARG A 56 1.345 11.202 10.510 1.00 0.00 N ATOM 833 NH2 ARG A 56 -0.556 11.564 11.741 1.00 0.00 N ATOM 0 H ARG A 56 5.470 9.278 10.186 1.00 0.00 H new ATOM 0 HA ARG A 56 5.081 8.070 12.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.714 7.622 10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.369 6.722 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.666 8.816 12.778 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.030 9.728 11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.337 8.441 10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.000 7.465 11.481 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.444 9.122 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.061 10.569 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.376 12.193 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.307 11.211 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.519 12.554 11.499 1.00 0.00 H new ATOM 844 N ASN A 57 5.854 5.657 12.059 1.00 0.00 N ATOM 845 CA ASN A 57 6.706 4.512 11.781 1.00 0.00 C ATOM 846 C ASN A 57 6.081 3.236 12.248 1.00 0.00 C ATOM 847 O ASN A 57 6.077 2.910 13.436 1.00 0.00 O ATOM 848 CB ASN A 57 8.075 4.723 12.414 1.00 0.00 C ATOM 849 CG ASN A 57 8.016 5.530 13.693 1.00 0.00 C ATOM 850 OD1 ASN A 57 8.629 6.707 13.664 1.00 0.00 O flip ATOM 851 ND2 ASN A 57 7.422 5.109 14.685 1.00 0.00 N flip ATOM 0 H ASN A 57 5.133 5.497 12.763 1.00 0.00 H new ATOM 0 HA ASN A 57 6.829 4.426 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.526 3.753 12.623 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.725 5.230 11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.966 4.197 14.658 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.386 5.672 15.535 1.00 0.00 H new ATOM 857 N ILE A 58 5.540 2.516 11.276 1.00 0.00 N ATOM 858 CA ILE A 58 4.897 1.276 11.534 1.00 0.00 C ATOM 859 C ILE A 58 4.518 0.601 10.250 1.00 0.00 C ATOM 860 O ILE A 58 4.130 1.260 9.284 1.00 0.00 O ATOM 861 CB ILE A 58 3.616 1.484 12.337 1.00 0.00 C ATOM 862 CG1 ILE A 58 2.617 0.321 12.097 1.00 0.00 C ATOM 863 CG2 ILE A 58 3.020 2.835 11.957 1.00 0.00 C ATOM 864 CD1 ILE A 58 1.270 0.548 12.745 1.00 0.00 C ATOM 0 H ILE A 58 5.545 2.791 10.294 1.00 0.00 H new ATOM 0 HA ILE A 58 5.600 0.662 12.097 1.00 0.00 H new ATOM 0 HB ILE A 58 3.840 1.484 13.404 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.478 0.185 11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.047 -0.604 12.482 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.103 3.000 12.522 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.735 3.625 12.186 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.796 2.847 10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.619 -0.302 12.539 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.398 0.654 13.822 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.821 1.455 12.342 1.00 0.00 H new ATOM 875 N ASP A 59 4.525 -0.703 10.262 1.00 0.00 N ATOM 876 CA ASP A 59 4.075 -1.418 9.138 1.00 0.00 C ATOM 877 C ASP A 59 3.111 -2.449 9.625 1.00 0.00 C ATOM 878 O ASP A 59 3.419 -3.288 10.471 1.00 0.00 O ATOM 879 CB ASP A 59 5.180 -2.060 8.365 1.00 0.00 C ATOM 880 CG ASP A 59 4.764 -2.322 6.931 1.00 0.00 C ATOM 881 OD1 ASP A 59 3.664 -1.875 6.544 1.00 0.00 O ATOM 882 OD2 ASP A 59 5.537 -2.959 6.192 1.00 0.00 O ATOM 0 H ASP A 59 4.840 -1.277 11.044 1.00 0.00 H new ATOM 0 HA ASP A 59 3.603 -0.721 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.060 -1.416 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.464 -2.998 8.842 1.00 0.00 H new ATOM 886 N VAL A 60 1.936 -2.316 9.126 1.00 0.00 N ATOM 887 CA VAL A 60 0.837 -3.150 9.513 1.00 0.00 C ATOM 888 C VAL A 60 0.680 -4.314 8.561 1.00 0.00 C ATOM 889 O VAL A 60 1.434 -4.429 7.618 1.00 0.00 O ATOM 890 CB VAL A 60 -0.421 -2.299 9.625 1.00 0.00 C ATOM 891 CG1 VAL A 60 -1.464 -2.976 10.498 1.00 0.00 C ATOM 892 CG2 VAL A 60 -0.017 -0.941 10.184 1.00 0.00 C ATOM 0 H VAL A 60 1.698 -1.615 8.424 1.00 0.00 H new ATOM 0 HA VAL A 60 1.030 -3.589 10.492 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.878 -2.172 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.351 -2.346 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.733 -3.939 10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.058 -3.130 11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.900 -0.308 10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.439 -1.072 11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.699 -0.469 9.512 1.00 0.00 H new ATOM 902 N VAL A 61 -0.206 -5.238 8.884 1.00 0.00 N ATOM 903 CA VAL A 61 -0.319 -6.474 8.121 1.00 0.00 C ATOM 904 C VAL A 61 -1.254 -6.385 6.926 1.00 0.00 C ATOM 905 O VAL A 61 -2.340 -5.808 6.971 1.00 0.00 O ATOM 906 CB VAL A 61 -0.811 -7.605 9.047 1.00 0.00 C ATOM 907 CG1 VAL A 61 -1.270 -8.810 8.246 1.00 0.00 C ATOM 908 CG2 VAL A 61 0.280 -7.996 10.034 1.00 0.00 C ATOM 0 H VAL A 61 -0.857 -5.160 9.666 1.00 0.00 H new ATOM 0 HA VAL A 61 0.677 -6.676 7.728 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.669 -7.234 9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.611 -9.591 8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.089 -8.519 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.440 -9.187 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.083 -8.795 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.158 -8.342 9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.548 -7.132 10.642 1.00 0.00 H new ATOM 918 N PHE A 62 -0.739 -6.962 5.837 1.00 0.00 N ATOM 919 CA PHE A 62 -1.395 -6.991 4.540 1.00 0.00 C ATOM 920 C PHE A 62 -1.989 -8.328 4.244 1.00 0.00 C ATOM 921 O PHE A 62 -1.796 -9.312 4.958 1.00 0.00 O ATOM 922 CB PHE A 62 -0.434 -6.610 3.412 1.00 0.00 C ATOM 923 CG PHE A 62 0.116 -5.229 3.552 1.00 0.00 C ATOM 924 CD1 PHE A 62 0.595 -4.812 4.765 1.00 0.00 C ATOM 925 CD2 PHE A 62 0.156 -4.354 2.481 1.00 0.00 C ATOM 926 CE1 PHE A 62 1.105 -3.564 4.932 1.00 0.00 C ATOM 927 CE2 PHE A 62 0.675 -3.081 2.636 1.00 0.00 C ATOM 928 CZ PHE A 62 1.153 -2.683 3.870 1.00 0.00 C ATOM 0 H PHE A 62 0.167 -7.431 5.839 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.196 -6.254 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.391 -7.322 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.953 -6.693 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.567 -5.489 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.220 -4.667 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.475 -3.260 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.706 -2.402 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.560 -1.692 4.003 1.00 0.00 H new ATOM 937 N GLU A 63 -2.729 -8.324 3.173 1.00 0.00 N ATOM 938 CA GLU A 63 -3.411 -9.472 2.696 1.00 0.00 C ATOM 939 C GLU A 63 -2.968 -9.728 1.317 1.00 0.00 C ATOM 940 O GLU A 63 -2.620 -8.804 0.581 1.00 0.00 O ATOM 941 CB GLU A 63 -4.899 -9.193 2.713 1.00 0.00 C ATOM 942 CG GLU A 63 -5.773 -10.410 2.446 1.00 0.00 C ATOM 943 CD GLU A 63 -5.643 -11.478 3.515 1.00 0.00 C ATOM 944 OE1 GLU A 63 -4.526 -12.005 3.700 1.00 0.00 O ATOM 945 OE2 GLU A 63 -6.661 -11.788 4.169 1.00 0.00 O ATOM 0 H GLU A 63 -2.873 -7.494 2.598 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.199 -10.340 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.166 -8.776 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.121 -8.431 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.814 -10.095 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.507 -10.837 1.479 1.00 0.00 H new ATOM 950 N LEU A 64 -3.045 -10.974 0.949 1.00 0.00 N ATOM 951 CA LEU A 64 -2.732 -11.350 -0.390 1.00 0.00 C ATOM 952 C LEU A 64 -3.554 -10.410 -1.262 1.00 0.00 C ATOM 953 O LEU A 64 -3.281 -10.185 -2.434 1.00 0.00 O ATOM 954 CB LEU A 64 -3.115 -12.800 -0.602 1.00 0.00 C ATOM 955 CG LEU A 64 -2.802 -13.372 -1.983 1.00 0.00 C ATOM 956 CD1 LEU A 64 -2.712 -14.888 -1.918 1.00 0.00 C ATOM 957 CD2 LEU A 64 -3.855 -12.957 -3.000 1.00 0.00 C ATOM 0 H LEU A 64 -3.322 -11.743 1.560 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.671 -11.270 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.603 -13.405 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.184 -12.905 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.841 -12.970 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.488 -15.282 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.921 -15.176 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.662 -15.294 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.606 -13.379 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.831 -13.325 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.883 -11.870 -3.072 1.00 0.00 H new ATOM 968 N GLY A 65 -4.539 -9.815 -0.582 1.00 0.00 N ATOM 969 CA GLY A 65 -5.420 -8.822 -1.156 1.00 0.00 C ATOM 970 C GLY A 65 -6.016 -7.983 -0.035 1.00 0.00 C ATOM 971 O GLY A 65 -7.087 -8.295 0.487 1.00 0.00 O ATOM 0 H GLY A 65 -4.741 -10.020 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.870 -8.187 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.213 -9.306 -1.726 1.00 0.00 H new ATOM 975 N VAL A 66 -5.258 -6.977 0.400 1.00 0.00 N ATOM 976 CA VAL A 66 -5.619 -6.142 1.540 1.00 0.00 C ATOM 977 C VAL A 66 -6.308 -4.840 1.179 1.00 0.00 C ATOM 978 O VAL A 66 -6.498 -4.546 0.028 1.00 0.00 O ATOM 979 CB VAL A 66 -4.365 -5.812 2.364 1.00 0.00 C ATOM 980 CG1 VAL A 66 -3.656 -4.567 1.821 1.00 0.00 C ATOM 981 CG2 VAL A 66 -4.714 -5.664 3.834 1.00 0.00 C ATOM 0 H VAL A 66 -4.371 -6.719 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.337 -6.732 2.109 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.667 -6.644 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.773 -4.359 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.356 -4.741 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.334 -3.714 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.812 -5.430 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.438 -4.859 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.142 -6.596 4.202 1.00 0.00 H new ATOM 991 N ASP A 67 -6.700 -4.078 2.207 1.00 0.00 N ATOM 992 CA ASP A 67 -7.345 -2.786 2.013 1.00 0.00 C ATOM 993 C ASP A 67 -7.005 -1.829 3.136 1.00 0.00 C ATOM 994 O ASP A 67 -6.845 -2.208 4.297 1.00 0.00 O ATOM 995 CB ASP A 67 -8.857 -2.846 1.812 1.00 0.00 C ATOM 996 CG ASP A 67 -9.347 -4.229 1.433 1.00 0.00 C ATOM 997 OD1 ASP A 67 -9.188 -5.160 2.251 1.00 0.00 O ATOM 998 OD2 ASP A 67 -9.882 -4.386 0.318 1.00 0.00 O ATOM 0 H ASP A 67 -6.578 -4.341 3.185 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.936 -2.414 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.353 -2.529 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.143 -2.139 1.034 1.00 0.00 H new ATOM 1002 N PHE A 68 -6.886 -0.582 2.738 1.00 0.00 N ATOM 1003 CA PHE A 68 -6.552 0.520 3.602 1.00 0.00 C ATOM 1004 C PHE A 68 -7.441 1.663 3.256 1.00 0.00 C ATOM 1005 O PHE A 68 -7.854 1.802 2.107 1.00 0.00 O ATOM 1006 CB PHE A 68 -5.117 0.982 3.376 1.00 0.00 C ATOM 1007 CG PHE A 68 -4.060 0.072 3.940 1.00 0.00 C ATOM 1008 CD1 PHE A 68 -3.971 -1.255 3.551 1.00 0.00 C ATOM 1009 CD2 PHE A 68 -3.148 0.556 4.862 1.00 0.00 C ATOM 1010 CE1 PHE A 68 -2.994 -2.080 4.074 1.00 0.00 C ATOM 1011 CE2 PHE A 68 -2.168 -0.264 5.388 1.00 0.00 C ATOM 1012 CZ PHE A 68 -2.091 -1.584 4.992 1.00 0.00 C ATOM 0 H PHE A 68 -7.025 -0.301 1.767 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.670 0.198 4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.950 1.088 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.996 1.972 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.673 -1.649 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.203 1.588 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.937 -3.113 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.464 0.127 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.325 -2.227 5.400 1.00 0.00 H new ATOM 1021 N ALA A 69 -7.724 2.503 4.210 1.00 0.00 N ATOM 1022 CA ALA A 69 -8.539 3.629 3.906 1.00 0.00 C ATOM 1023 C ALA A 69 -8.520 4.671 5.017 1.00 0.00 C ATOM 1024 O ALA A 69 -9.217 4.572 6.027 1.00 0.00 O ATOM 1025 CB ALA A 69 -9.933 3.142 3.554 1.00 0.00 C ATOM 0 H ALA A 69 -7.410 2.429 5.178 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.133 4.151 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.568 3.996 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.880 2.480 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.353 2.599 4.401 1.00 0.00 H new ATOM 1031 N TYR A 70 -7.703 5.678 4.764 1.00 0.00 N ATOM 1032 CA TYR A 70 -7.494 6.819 5.624 1.00 0.00 C ATOM 1033 C TYR A 70 -6.756 7.851 4.812 1.00 0.00 C ATOM 1034 O TYR A 70 -6.290 7.548 3.729 1.00 0.00 O ATOM 1035 CB TYR A 70 -6.734 6.437 6.886 1.00 0.00 C ATOM 1036 CG TYR A 70 -5.533 5.539 6.688 1.00 0.00 C ATOM 1037 CD1 TYR A 70 -4.371 6.014 6.094 1.00 0.00 C ATOM 1038 CD2 TYR A 70 -5.548 4.222 7.133 1.00 0.00 C ATOM 1039 CE1 TYR A 70 -3.264 5.203 5.941 1.00 0.00 C ATOM 1040 CE2 TYR A 70 -4.443 3.406 6.987 1.00 0.00 C ATOM 1041 CZ TYR A 70 -3.303 3.901 6.390 1.00 0.00 C ATOM 1042 OH TYR A 70 -2.201 3.093 6.243 1.00 0.00 O ATOM 0 H TYR A 70 -7.143 5.720 3.912 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.447 7.221 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.402 7.351 7.378 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.426 5.941 7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.333 7.036 5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.439 3.830 7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.371 5.588 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.472 2.385 7.339 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.405 2.197 6.583 1.00 0.00 H new ATOM 1051 N SER A 71 -6.672 9.075 5.266 1.00 0.00 N ATOM 1052 CA SER A 71 -6.019 10.052 4.446 1.00 0.00 C ATOM 1053 C SER A 71 -4.595 10.273 4.902 1.00 0.00 C ATOM 1054 O SER A 71 -4.321 10.922 5.912 1.00 0.00 O ATOM 1055 CB SER A 71 -6.826 11.338 4.400 1.00 0.00 C ATOM 1056 OG SER A 71 -6.221 12.324 3.591 1.00 0.00 O ATOM 0 H SER A 71 -7.032 9.407 6.161 1.00 0.00 H new ATOM 0 HA SER A 71 -5.965 9.675 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.825 11.123 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.946 11.725 5.412 1.00 0.00 H new ATOM 0 HG SER A 71 -6.776 13.132 3.590 1.00 0.00 H new ATOM 1061 N LEU A 72 -3.703 9.679 4.121 1.00 0.00 N ATOM 1062 CA LEU A 72 -2.265 9.724 4.361 1.00 0.00 C ATOM 1063 C LEU A 72 -1.826 11.123 4.779 1.00 0.00 C ATOM 1064 O LEU A 72 -0.882 11.283 5.553 1.00 0.00 O ATOM 1065 CB LEU A 72 -1.485 9.282 3.110 1.00 0.00 C ATOM 1066 CG LEU A 72 -1.740 7.839 2.643 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -2.980 7.760 1.767 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -0.532 7.279 1.897 1.00 0.00 C ATOM 0 H LEU A 72 -3.960 9.145 3.291 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.044 9.031 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.732 9.959 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.419 9.398 3.308 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.906 7.232 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.137 6.729 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.847 8.102 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.846 8.392 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.742 6.258 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.326 7.896 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.336 7.283 2.556 1.00 0.00 H new ATOM 1079 N ALA A 73 -2.511 12.136 4.251 1.00 0.00 N ATOM 1080 CA ALA A 73 -2.186 13.523 4.557 1.00 0.00 C ATOM 1081 C ALA A 73 -3.089 14.119 5.641 1.00 0.00 C ATOM 1082 O ALA A 73 -2.597 14.682 6.617 1.00 0.00 O ATOM 1083 CB ALA A 73 -2.268 14.366 3.294 1.00 0.00 C ATOM 0 H ALA A 73 -3.295 12.019 3.609 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.168 13.533 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.024 15.401 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.561 13.986 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.278 14.315 2.888 1.00 0.00 H new ATOM 1089 N ASP A 74 -4.408 14.025 5.453 1.00 0.00 N ATOM 1090 CA ASP A 74 -5.352 14.599 6.416 1.00 0.00 C ATOM 1091 C ASP A 74 -6.393 13.581 6.906 1.00 0.00 C ATOM 1092 O ASP A 74 -6.043 12.477 7.321 1.00 0.00 O ATOM 1093 CB ASP A 74 -6.053 15.812 5.792 1.00 0.00 C ATOM 1094 CG ASP A 74 -5.098 16.948 5.476 1.00 0.00 C ATOM 1095 OD1 ASP A 74 -3.894 16.817 5.775 1.00 0.00 O ATOM 1096 OD2 ASP A 74 -5.558 17.973 4.931 1.00 0.00 O ATOM 0 H ASP A 74 -4.842 13.563 4.654 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.777 14.908 7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.557 15.503 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.823 16.171 6.474 1.00 0.00 H new ATOM 1100 N GLY A 75 -7.673 13.986 6.875 1.00 0.00 N ATOM 1101 CA GLY A 75 -8.767 13.139 7.335 1.00 0.00 C ATOM 1102 C GLY A 75 -8.697 11.713 6.832 1.00 0.00 C ATOM 1103 O GLY A 75 -7.976 10.887 7.393 1.00 0.00 O ATOM 0 H GLY A 75 -7.969 14.900 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.771 13.129 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.712 13.579 7.017 1.00 0.00 H new ATOM 1107 N THR A 76 -9.456 11.410 5.784 1.00 0.00 N ATOM 1108 CA THR A 76 -9.468 10.061 5.236 1.00 0.00 C ATOM 1109 C THR A 76 -9.615 10.043 3.726 1.00 0.00 C ATOM 1110 O THR A 76 -10.585 10.545 3.160 1.00 0.00 O ATOM 1111 CB THR A 76 -10.585 9.209 5.857 1.00 0.00 C ATOM 1112 OG1 THR A 76 -11.806 9.957 5.899 1.00 0.00 O ATOM 1113 CG2 THR A 76 -10.212 8.745 7.257 1.00 0.00 C ATOM 0 H THR A 76 -10.064 12.073 5.303 1.00 0.00 H new ATOM 0 HA THR A 76 -8.498 9.633 5.491 1.00 0.00 H new ATOM 0 HB THR A 76 -10.722 8.326 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.943 10.409 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.023 8.144 7.669 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.303 8.145 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.042 9.613 7.895 1.00 0.00 H new ATOM 1121 N GLU A 77 -8.627 9.418 3.100 1.00 0.00 N ATOM 1122 CA GLU A 77 -8.582 9.258 1.667 1.00 0.00 C ATOM 1123 C GLU A 77 -7.510 8.239 1.318 1.00 0.00 C ATOM 1124 O GLU A 77 -6.325 8.555 1.210 1.00 0.00 O ATOM 1125 CB GLU A 77 -8.321 10.616 1.033 1.00 0.00 C ATOM 1126 CG GLU A 77 -6.874 11.063 1.032 1.00 0.00 C ATOM 1127 CD GLU A 77 -6.697 12.488 0.538 1.00 0.00 C ATOM 1128 OE1 GLU A 77 -7.710 13.126 0.184 1.00 0.00 O ATOM 1129 OE2 GLU A 77 -5.542 12.963 0.507 1.00 0.00 O ATOM 0 H GLU A 77 -7.830 9.006 3.585 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.530 8.885 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.677 10.592 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.915 11.364 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.473 10.981 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.291 10.390 0.402 1.00 0.00 H new ATOM 1134 N LEU A 78 -7.928 6.999 1.144 1.00 0.00 N ATOM 1135 CA LEU A 78 -6.993 5.962 0.809 1.00 0.00 C ATOM 1136 C LEU A 78 -7.638 4.639 0.487 1.00 0.00 C ATOM 1137 O LEU A 78 -8.785 4.345 0.825 1.00 0.00 O ATOM 1138 CB LEU A 78 -5.940 5.781 1.903 1.00 0.00 C ATOM 1139 CG LEU A 78 -5.019 4.569 1.760 1.00 0.00 C ATOM 1140 CD1 LEU A 78 -4.053 4.754 0.598 1.00 0.00 C ATOM 1141 CD2 LEU A 78 -4.259 4.317 3.049 1.00 0.00 C ATOM 0 H LEU A 78 -8.898 6.696 1.229 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.507 6.303 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.322 6.679 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.452 5.711 2.863 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.640 3.698 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.409 3.878 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.616 4.877 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.441 5.640 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.610 3.450 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.655 5.191 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.966 4.128 3.857 1.00 0.00 H new ATOM 1152 N THR A 79 -6.832 3.872 -0.181 1.00 0.00 N ATOM 1153 CA THR A 79 -7.140 2.554 -0.639 1.00 0.00 C ATOM 1154 C THR A 79 -6.302 1.559 -0.015 1.00 0.00 C ATOM 1155 O THR A 79 -5.306 1.840 0.648 1.00 0.00 O ATOM 1156 CB THR A 79 -6.782 2.347 -2.074 1.00 0.00 C ATOM 1157 OG1 THR A 79 -5.502 1.673 -2.152 1.00 0.00 O ATOM 1158 CG2 THR A 79 -6.742 3.676 -2.761 1.00 0.00 C ATOM 0 H THR A 79 -5.889 4.167 -0.435 1.00 0.00 H new ATOM 0 HA THR A 79 -8.204 2.457 -0.425 1.00 0.00 H new ATOM 0 HB THR A 79 -7.526 1.724 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.187 1.675 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.481 3.536 -3.810 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.720 4.152 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.995 4.310 -2.283 1.00 0.00 H new ATOM 1166 N GLY A 80 -6.669 0.373 -0.346 1.00 0.00 N ATOM 1167 CA GLY A 80 -5.916 -0.677 0.074 1.00 0.00 C ATOM 1168 C GLY A 80 -6.091 -1.981 -0.626 1.00 0.00 C ATOM 1169 O GLY A 80 -7.167 -2.573 -0.660 1.00 0.00 O ATOM 0 H GLY A 80 -7.489 0.139 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.867 -0.391 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.122 -0.835 1.133 1.00 0.00 H new ATOM 1173 N THR A 81 -4.956 -2.450 -1.055 1.00 0.00 N ATOM 1174 CA THR A 81 -4.760 -3.747 -1.608 1.00 0.00 C ATOM 1175 C THR A 81 -3.358 -3.880 -1.975 1.00 0.00 C ATOM 1176 O THR A 81 -2.718 -2.947 -2.446 1.00 0.00 O ATOM 1177 CB THR A 81 -5.606 -4.245 -2.768 1.00 0.00 C ATOM 1178 OG1 THR A 81 -6.731 -3.422 -2.962 1.00 0.00 O ATOM 1179 CG2 THR A 81 -6.084 -5.664 -2.509 1.00 0.00 C ATOM 0 H THR A 81 -4.097 -1.901 -1.024 1.00 0.00 H new ATOM 0 HA THR A 81 -5.109 -4.385 -0.795 1.00 0.00 H new ATOM 0 HB THR A 81 -4.981 -4.221 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.335 -3.507 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.688 -6.004 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.223 -6.322 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.684 -5.685 -1.599 1.00 0.00 H new ATOM 1187 N TRP A 82 -2.923 -5.044 -1.789 1.00 0.00 N ATOM 1188 CA TRP A 82 -1.599 -5.425 -2.116 1.00 0.00 C ATOM 1189 C TRP A 82 -1.647 -6.904 -2.472 1.00 0.00 C ATOM 1190 O TRP A 82 -1.800 -7.754 -1.596 1.00 0.00 O ATOM 1191 CB TRP A 82 -0.671 -5.100 -0.937 1.00 0.00 C ATOM 1192 CG TRP A 82 -0.563 -3.631 -0.813 1.00 0.00 C ATOM 1193 CD1 TRP A 82 -1.388 -2.815 -0.116 1.00 0.00 C ATOM 1194 CD2 TRP A 82 0.362 -2.799 -1.500 1.00 0.00 C ATOM 1195 NE1 TRP A 82 -1.065 -1.516 -0.352 1.00 0.00 N ATOM 1196 CE2 TRP A 82 0.036 -1.471 -1.186 1.00 0.00 C ATOM 1197 CE3 TRP A 82 1.438 -3.062 -2.348 1.00 0.00 C ATOM 1198 CZ2 TRP A 82 0.754 -0.392 -1.709 1.00 0.00 C ATOM 1199 CZ3 TRP A 82 2.156 -2.009 -2.863 1.00 0.00 C ATOM 1200 CH2 TRP A 82 1.816 -0.687 -2.545 1.00 0.00 C ATOM 0 H TRP A 82 -3.485 -5.797 -1.392 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.196 -4.878 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -1.065 -5.529 -0.016 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.313 -5.539 -1.098 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -2.185 -3.147 0.532 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.556 -0.705 0.025 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.703 -4.079 -2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.491 0.628 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 2.991 -2.202 -3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.398 0.121 -2.963 1.00 0.00 H new ATOM 1210 N THR A 83 -1.597 -7.204 -3.765 1.00 0.00 N ATOM 1211 CA THR A 83 -1.726 -8.583 -4.217 1.00 0.00 C ATOM 1212 C THR A 83 -0.526 -9.054 -4.990 1.00 0.00 C ATOM 1213 O THR A 83 -0.361 -8.737 -6.156 1.00 0.00 O ATOM 1214 CB THR A 83 -2.965 -8.747 -5.117 1.00 0.00 C ATOM 1215 OG1 THR A 83 -4.085 -8.052 -4.556 1.00 0.00 O ATOM 1216 CG2 THR A 83 -3.309 -10.214 -5.311 1.00 0.00 C ATOM 0 H THR A 83 -1.470 -6.520 -4.510 1.00 0.00 H new ATOM 0 HA THR A 83 -1.820 -9.186 -3.314 1.00 0.00 H new ATOM 0 HB THR A 83 -2.731 -8.318 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.865 -8.164 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.188 -10.300 -5.950 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.468 -10.726 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.518 -10.670 -4.343 1.00 0.00 H new ATOM 1224 N MET A 84 0.310 -9.826 -4.352 1.00 0.00 N ATOM 1225 CA MET A 84 1.483 -10.303 -5.020 1.00 0.00 C ATOM 1226 C MET A 84 2.192 -11.426 -4.309 1.00 0.00 C ATOM 1227 O MET A 84 1.869 -11.825 -3.191 1.00 0.00 O ATOM 1228 CB MET A 84 2.454 -9.173 -5.274 1.00 0.00 C ATOM 1229 CG MET A 84 2.665 -8.246 -4.111 1.00 0.00 C ATOM 1230 SD MET A 84 3.166 -9.059 -2.578 1.00 0.00 S ATOM 1231 CE MET A 84 1.577 -9.402 -1.832 1.00 0.00 C ATOM 0 H MET A 84 0.202 -10.133 -3.385 1.00 0.00 H new ATOM 0 HA MET A 84 1.123 -10.714 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.416 -9.598 -5.560 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.097 -8.591 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.424 -7.512 -4.382 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.741 -7.697 -3.930 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.558 -9.004 -0.817 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.789 -8.932 -2.421 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.414 -10.479 -1.803 1.00 0.00 H new ATOM 1239 N GLU A 85 3.186 -11.896 -5.008 1.00 0.00 N ATOM 1240 CA GLU A 85 4.058 -12.945 -4.566 1.00 0.00 C ATOM 1241 C GLU A 85 5.307 -12.269 -4.038 1.00 0.00 C ATOM 1242 O GLU A 85 5.420 -11.047 -4.141 1.00 0.00 O ATOM 1243 CB GLU A 85 4.395 -13.856 -5.742 1.00 0.00 C ATOM 1244 CG GLU A 85 5.356 -14.984 -5.405 1.00 0.00 C ATOM 1245 CD GLU A 85 5.646 -15.880 -6.593 1.00 0.00 C ATOM 1246 OE1 GLU A 85 6.150 -15.367 -7.614 1.00 0.00 O ATOM 1247 OE2 GLU A 85 5.370 -17.095 -6.501 1.00 0.00 O ATOM 0 H GLU A 85 3.419 -11.545 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 85 3.596 -13.559 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.471 -14.285 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.827 -13.253 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.291 -14.561 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.937 -15.583 -4.597 1.00 0.00 H new ATOM 1252 N GLY A 86 6.242 -13.005 -3.467 1.00 0.00 N ATOM 1253 CA GLY A 86 7.406 -12.326 -2.967 1.00 0.00 C ATOM 1254 C GLY A 86 8.434 -12.254 -4.055 1.00 0.00 C ATOM 1255 O GLY A 86 9.149 -13.210 -4.353 1.00 0.00 O ATOM 0 H GLY A 86 6.219 -14.017 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.142 -11.323 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.808 -12.855 -2.103 1.00 0.00 H new ATOM 1259 N ASN A 87 8.429 -11.075 -4.664 1.00 0.00 N ATOM 1260 CA ASN A 87 9.270 -10.721 -5.785 1.00 0.00 C ATOM 1261 C ASN A 87 8.672 -9.487 -6.444 1.00 0.00 C ATOM 1262 O ASN A 87 9.320 -8.821 -7.252 1.00 0.00 O ATOM 1263 CB ASN A 87 9.347 -11.861 -6.809 1.00 0.00 C ATOM 1264 CG ASN A 87 10.263 -11.533 -7.973 1.00 0.00 C ATOM 1265 OD1 ASN A 87 11.459 -11.307 -7.792 1.00 0.00 O ATOM 1266 ND2 ASN A 87 9.701 -11.503 -9.176 1.00 0.00 N ATOM 0 H ASN A 87 7.813 -10.315 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 87 10.282 -10.527 -5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.701 -12.766 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.347 -12.075 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.265 -11.286 -9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.705 -11.697 -9.279 1.00 0.00 H new ATOM 1272 N LYS A 88 7.413 -9.193 -6.090 1.00 0.00 N ATOM 1273 CA LYS A 88 6.721 -8.045 -6.654 1.00 0.00 C ATOM 1274 C LYS A 88 5.530 -7.612 -5.810 1.00 0.00 C ATOM 1275 O LYS A 88 5.045 -8.373 -4.996 1.00 0.00 O ATOM 1276 CB LYS A 88 6.197 -8.347 -8.045 1.00 0.00 C ATOM 1277 CG LYS A 88 4.740 -8.846 -8.065 1.00 0.00 C ATOM 1278 CD LYS A 88 4.513 -10.095 -7.228 1.00 0.00 C ATOM 1279 CE LYS A 88 5.551 -11.174 -7.497 1.00 0.00 C ATOM 1280 NZ LYS A 88 5.631 -11.538 -8.936 1.00 0.00 N ATOM 0 H LYS A 88 6.864 -9.734 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 88 7.461 -7.245 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.271 -7.447 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.835 -9.099 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.088 -8.052 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.449 -9.051 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.536 -9.829 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.519 -10.492 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.527 -10.828 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.308 -12.062 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.783 -12.563 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.743 -11.276 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.423 -11.030 -9.379 1.00 0.00 H new ATOM 1290 N LEU A 89 5.095 -6.370 -6.048 1.00 0.00 N ATOM 1291 CA LEU A 89 3.954 -5.757 -5.395 1.00 0.00 C ATOM 1292 C LEU A 89 2.899 -5.400 -6.423 1.00 0.00 C ATOM 1293 O LEU A 89 3.205 -4.742 -7.415 1.00 0.00 O ATOM 1294 CB LEU A 89 4.373 -4.470 -4.710 1.00 0.00 C ATOM 1295 CG LEU A 89 4.488 -4.501 -3.199 1.00 0.00 C ATOM 1296 CD1 LEU A 89 4.805 -5.904 -2.695 1.00 0.00 C ATOM 1297 CD2 LEU A 89 5.527 -3.489 -2.722 1.00 0.00 C ATOM 0 H LEU A 89 5.547 -5.752 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 89 3.560 -6.467 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.338 -4.168 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.657 -3.694 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 89 3.523 -4.219 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.881 -5.892 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.010 -6.587 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.751 -6.238 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.597 -3.524 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.497 -3.731 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.230 -2.488 -3.034 1.00 0.00 H new ATOM 1308 N VAL A 90 1.653 -5.769 -6.178 1.00 0.00 N ATOM 1309 CA VAL A 90 0.603 -5.393 -7.086 1.00 0.00 C ATOM 1310 C VAL A 90 -0.732 -5.649 -6.441 1.00 0.00 C ATOM 1311 O VAL A 90 -1.238 -6.755 -6.413 1.00 0.00 O ATOM 1312 CB VAL A 90 0.700 -6.123 -8.435 1.00 0.00 C ATOM 1313 CG1 VAL A 90 0.950 -7.612 -8.247 1.00 0.00 C ATOM 1314 CG2 VAL A 90 -0.559 -5.877 -9.241 1.00 0.00 C ATOM 0 H VAL A 90 1.355 -6.318 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 90 0.713 -4.330 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 90 1.553 -5.724 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.013 -8.096 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.886 -7.759 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.130 -8.049 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.486 -6.396 -10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.422 -6.250 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.675 -4.808 -9.417 1.00 0.00 H new ATOM 1324 N GLY A 91 -1.278 -4.603 -5.905 1.00 0.00 N ATOM 1325 CA GLY A 91 -2.528 -4.697 -5.213 1.00 0.00 C ATOM 1326 C GLY A 91 -3.062 -3.356 -4.947 1.00 0.00 C ATOM 1327 O GLY A 91 -2.290 -2.448 -4.659 1.00 0.00 O ATOM 0 H GLY A 91 -0.875 -3.666 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.240 -5.268 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.393 -5.235 -4.275 1.00 0.00 H new ATOM 1331 N LYS A 92 -4.363 -3.185 -5.056 1.00 0.00 N ATOM 1332 CA LYS A 92 -4.885 -1.896 -4.826 1.00 0.00 C ATOM 1333 C LYS A 92 -6.382 -1.791 -4.700 1.00 0.00 C ATOM 1334 O LYS A 92 -7.161 -2.628 -5.157 1.00 0.00 O ATOM 1335 CB LYS A 92 -4.356 -0.987 -5.854 1.00 0.00 C ATOM 1336 CG LYS A 92 -5.273 0.180 -6.146 1.00 0.00 C ATOM 1337 CD LYS A 92 -6.271 -0.122 -7.260 1.00 0.00 C ATOM 1338 CE LYS A 92 -5.894 -1.359 -8.027 1.00 0.00 C ATOM 1339 NZ LYS A 92 -6.916 -1.741 -9.026 1.00 0.00 N ATOM 0 H LYS A 92 -5.042 -3.908 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.548 -1.606 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.387 -0.607 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.188 -1.547 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.816 0.446 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.674 1.047 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.266 -0.248 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.323 0.727 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.942 -1.194 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.746 -2.184 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.608 -2.599 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.819 -1.926 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.040 -0.967 -9.709 1.00 0.00 H new ATOM 1349 N PHE A 93 -6.727 -0.701 -4.062 1.00 0.00 N ATOM 1350 CA PHE A 93 -8.074 -0.307 -3.767 1.00 0.00 C ATOM 1351 C PHE A 93 -8.249 1.113 -4.085 1.00 0.00 C ATOM 1352 O PHE A 93 -7.327 1.765 -4.564 1.00 0.00 O ATOM 1353 CB PHE A 93 -8.453 -0.524 -2.325 1.00 0.00 C ATOM 1354 CG PHE A 93 -9.512 -1.567 -2.170 1.00 0.00 C ATOM 1355 CD1 PHE A 93 -9.421 -2.743 -2.882 1.00 0.00 C ATOM 1356 CD2 PHE A 93 -10.597 -1.365 -1.338 1.00 0.00 C ATOM 1357 CE1 PHE A 93 -10.396 -3.713 -2.770 1.00 0.00 C ATOM 1358 CE2 PHE A 93 -11.578 -2.330 -1.216 1.00 0.00 C ATOM 1359 CZ PHE A 93 -11.477 -3.508 -1.934 1.00 0.00 C ATOM 0 H PHE A 93 -6.037 -0.033 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.723 -0.935 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -7.569 -0.819 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -8.805 0.415 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.577 -2.908 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -10.679 -0.445 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.314 -4.630 -3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -12.421 -2.165 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 93 -12.241 -4.266 -1.841 1.00 0.00 H new ATOM 1368 N LYS A 94 -9.434 1.591 -3.827 1.00 0.00 N ATOM 1369 CA LYS A 94 -9.729 2.938 -4.067 1.00 0.00 C ATOM 1370 C LYS A 94 -9.673 3.732 -2.773 1.00 0.00 C ATOM 1371 O LYS A 94 -9.779 3.179 -1.682 1.00 0.00 O ATOM 1372 CB LYS A 94 -11.069 3.074 -4.688 1.00 0.00 C ATOM 1373 CG LYS A 94 -12.155 3.181 -3.654 1.00 0.00 C ATOM 1374 CD LYS A 94 -12.436 1.834 -2.998 1.00 0.00 C ATOM 1375 CE LYS A 94 -13.061 1.993 -1.622 1.00 0.00 C ATOM 1376 NZ LYS A 94 -12.073 2.479 -0.616 1.00 0.00 N ATOM 0 H LYS A 94 -10.206 1.044 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.982 3.334 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.086 3.958 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.261 2.214 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.864 3.904 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.066 3.558 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.103 1.252 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.506 1.271 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.894 2.693 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.470 1.037 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.167 1.924 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.110 2.369 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.252 3.483 -0.410 1.00 0.00 H new ATOM 1386 N ARG A 95 -9.434 5.019 -2.912 1.00 0.00 N ATOM 1387 CA ARG A 95 -9.279 5.901 -1.758 1.00 0.00 C ATOM 1388 C ARG A 95 -10.492 5.999 -0.850 1.00 0.00 C ATOM 1389 O ARG A 95 -11.484 5.289 -0.996 1.00 0.00 O ATOM 1390 CB ARG A 95 -8.957 7.323 -2.175 1.00 0.00 C ATOM 1391 CG ARG A 95 -10.180 8.140 -2.546 1.00 0.00 C ATOM 1392 CD ARG A 95 -9.910 9.629 -2.440 1.00 0.00 C ATOM 1393 NE ARG A 95 -8.718 10.075 -3.173 1.00 0.00 N ATOM 1394 CZ ARG A 95 -7.465 9.962 -2.730 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -7.213 9.427 -1.545 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -6.461 10.394 -3.480 1.00 0.00 N ATOM 0 H ARG A 95 -9.341 5.486 -3.814 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.463 5.432 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.431 7.821 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.276 7.298 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.486 7.897 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.009 7.872 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.778 10.172 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.797 9.893 -1.389 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.859 10.503 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.981 9.096 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.251 9.346 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.648 10.811 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.501 10.310 -3.145 1.00 0.00 H new ATOM 1407 N VAL A 96 -10.369 6.956 0.078 1.00 0.00 N ATOM 1408 CA VAL A 96 -11.432 7.260 1.046 1.00 0.00 C ATOM 1409 C VAL A 96 -12.067 8.611 0.787 1.00 0.00 C ATOM 1410 O VAL A 96 -13.263 8.783 1.031 1.00 0.00 O ATOM 1411 CB VAL A 96 -10.945 7.326 2.498 1.00 0.00 C ATOM 1412 CG1 VAL A 96 -12.126 7.396 3.455 1.00 0.00 C ATOM 1413 CG2 VAL A 96 -10.061 6.162 2.829 1.00 0.00 C ATOM 0 H VAL A 96 -9.537 7.538 0.180 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.135 6.437 0.913 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.353 8.234 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.761 7.442 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.717 8.286 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.748 6.509 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.732 6.238 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.615 5.234 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.192 6.167 2.171 1.00 0.00 H new ATOM 1423 N ASP A 97 -11.279 9.587 0.323 1.00 0.00 N ATOM 1424 CA ASP A 97 -11.851 10.912 0.092 1.00 0.00 C ATOM 1425 C ASP A 97 -13.057 10.730 -0.796 1.00 0.00 C ATOM 1426 O ASP A 97 -14.062 11.432 -0.682 1.00 0.00 O ATOM 1427 CB ASP A 97 -10.849 11.900 -0.509 1.00 0.00 C ATOM 1428 CG ASP A 97 -11.500 13.206 -0.923 1.00 0.00 C ATOM 1429 OD1 ASP A 97 -12.081 13.883 -0.049 1.00 0.00 O ATOM 1430 OD2 ASP A 97 -11.428 13.552 -2.121 1.00 0.00 O ATOM 0 H ASP A 97 -10.286 9.491 0.109 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.137 11.354 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.063 12.104 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.370 11.445 -1.376 1.00 0.00 H new ATOM 1434 N ASN A 98 -12.952 9.714 -1.636 1.00 0.00 N ATOM 1435 CA ASN A 98 -14.024 9.322 -2.518 1.00 0.00 C ATOM 1436 C ASN A 98 -13.779 7.876 -2.876 1.00 0.00 C ATOM 1437 O ASN A 98 -14.115 6.972 -2.109 1.00 0.00 O ATOM 1438 CB ASN A 98 -14.074 10.203 -3.766 1.00 0.00 C ATOM 1439 CG ASN A 98 -15.228 9.844 -4.681 1.00 0.00 C ATOM 1440 OD1 ASN A 98 -14.910 9.448 -5.908 1.00 0.00 O flip ATOM 1441 ND2 ASN A 98 -16.392 9.920 -4.289 1.00 0.00 N flip ATOM 0 H ASN A 98 -12.114 9.139 -1.721 1.00 0.00 H new ATOM 0 HA ASN A 98 -14.990 9.443 -2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.162 11.247 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -13.136 10.107 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -16.591 10.229 -3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.158 9.674 -4.916 1.00 0.00 H new ATOM 1447 N GLY A 99 -13.128 7.662 -3.995 1.00 0.00 N ATOM 1448 CA GLY A 99 -12.775 6.325 -4.377 1.00 0.00 C ATOM 1449 C GLY A 99 -11.805 6.319 -5.513 1.00 0.00 C ATOM 1450 O GLY A 99 -12.197 6.429 -6.676 1.00 0.00 O ATOM 0 H GLY A 99 -12.837 8.390 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.341 5.804 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.674 5.777 -4.661 1.00 0.00 H new ATOM 1454 N LYS A 100 -10.533 6.153 -5.191 1.00 0.00 N ATOM 1455 CA LYS A 100 -9.527 6.094 -6.241 1.00 0.00 C ATOM 1456 C LYS A 100 -8.719 4.830 -6.120 1.00 0.00 C ATOM 1457 O LYS A 100 -7.796 4.736 -5.311 1.00 0.00 O ATOM 1458 CB LYS A 100 -8.562 7.286 -6.237 1.00 0.00 C ATOM 1459 CG LYS A 100 -9.049 8.552 -5.544 1.00 0.00 C ATOM 1460 CD LYS A 100 -10.420 9.023 -6.006 1.00 0.00 C ATOM 1461 CE LYS A 100 -10.768 10.368 -5.382 1.00 0.00 C ATOM 1462 NZ LYS A 100 -12.090 10.870 -5.847 1.00 0.00 N ATOM 0 H LYS A 100 -10.178 6.059 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.081 6.120 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.633 6.972 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.322 7.534 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.080 8.376 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.326 9.349 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.434 9.107 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.174 8.285 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.777 10.273 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.995 11.095 -5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.446 11.582 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.986 11.301 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.762 10.079 -5.901 1.00 0.00 H new ATOM 1472 N GLU A 101 -9.075 3.861 -6.938 1.00 0.00 N ATOM 1473 CA GLU A 101 -8.400 2.587 -6.941 1.00 0.00 C ATOM 1474 C GLU A 101 -7.486 2.461 -8.156 1.00 0.00 C ATOM 1475 O GLU A 101 -7.940 2.306 -9.284 1.00 0.00 O ATOM 1476 CB GLU A 101 -9.424 1.440 -6.885 1.00 0.00 C ATOM 1477 CG GLU A 101 -9.917 0.964 -8.233 1.00 0.00 C ATOM 1478 CD GLU A 101 -11.019 -0.072 -8.127 1.00 0.00 C ATOM 1479 OE1 GLU A 101 -12.071 0.240 -7.531 1.00 0.00 O ATOM 1480 OE2 GLU A 101 -10.829 -1.194 -8.640 1.00 0.00 O ATOM 0 H GLU A 101 -9.835 3.937 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.773 2.522 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.976 0.597 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.281 1.765 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.282 1.818 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.081 0.542 -8.791 1.00 0.00 H new ATOM 1485 N LEU A 102 -6.191 2.484 -7.880 1.00 0.00 N ATOM 1486 CA LEU A 102 -5.140 2.321 -8.888 1.00 0.00 C ATOM 1487 C LEU A 102 -3.812 2.200 -8.176 1.00 0.00 C ATOM 1488 O LEU A 102 -3.254 3.173 -7.764 1.00 0.00 O ATOM 1489 CB LEU A 102 -5.106 3.491 -9.872 1.00 0.00 C ATOM 1490 CG LEU A 102 -6.198 3.495 -10.939 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -5.925 4.568 -11.980 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -6.301 2.121 -11.586 1.00 0.00 C ATOM 0 H LEU A 102 -5.829 2.618 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.347 1.423 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.175 4.420 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.137 3.493 -10.371 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.152 3.725 -10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.714 4.555 -12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.900 5.545 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.965 4.375 -12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.083 2.134 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.348 1.865 -12.050 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.546 1.379 -10.826 1.00 0.00 H new ATOM 1503 N ILE A 103 -3.309 1.010 -8.019 1.00 0.00 N ATOM 1504 CA ILE A 103 -2.043 0.834 -7.320 1.00 0.00 C ATOM 1505 C ILE A 103 -1.485 -0.570 -7.527 1.00 0.00 C ATOM 1506 O ILE A 103 -2.069 -1.551 -7.073 1.00 0.00 O ATOM 1507 CB ILE A 103 -2.211 1.102 -5.797 1.00 0.00 C ATOM 1508 CG1 ILE A 103 -1.965 2.568 -5.441 1.00 0.00 C ATOM 1509 CG2 ILE A 103 -1.313 0.198 -4.975 1.00 0.00 C ATOM 1510 CD1 ILE A 103 -2.669 2.986 -4.172 1.00 0.00 C ATOM 0 H ILE A 103 -3.740 0.149 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.341 1.555 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.248 0.872 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.894 2.736 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.302 3.199 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.455 0.411 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.566 -0.844 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.272 0.376 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.459 4.036 -3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.744 2.847 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.313 2.377 -3.341 1.00 0.00 H new ATOM 1521 N ALA A 104 -0.355 -0.685 -8.196 1.00 0.00 N ATOM 1522 CA ALA A 104 0.222 -1.999 -8.398 1.00 0.00 C ATOM 1523 C ALA A 104 1.627 -1.936 -8.947 1.00 0.00 C ATOM 1524 O ALA A 104 1.829 -1.738 -10.144 1.00 0.00 O ATOM 1525 CB ALA A 104 -0.675 -2.790 -9.294 1.00 0.00 C ATOM 0 H ALA A 104 0.170 0.091 -8.599 1.00 0.00 H new ATOM 0 HA ALA A 104 0.302 -2.492 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.249 -3.781 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.657 -2.887 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.773 -2.280 -10.252 1.00 0.00 H new ATOM 1531 N VAL A 105 2.592 -2.125 -8.063 1.00 0.00 N ATOM 1532 CA VAL A 105 3.992 -2.107 -8.453 1.00 0.00 C ATOM 1533 C VAL A 105 4.859 -2.506 -7.297 1.00 0.00 C ATOM 1534 O VAL A 105 4.572 -2.110 -6.168 1.00 0.00 O ATOM 1535 CB VAL A 105 4.433 -0.706 -8.958 1.00 0.00 C ATOM 1536 CG1 VAL A 105 5.792 -0.318 -8.378 1.00 0.00 C ATOM 1537 CG2 VAL A 105 4.482 -0.686 -10.478 1.00 0.00 C ATOM 0 H VAL A 105 2.432 -2.293 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 105 4.107 -2.820 -9.270 1.00 0.00 H new ATOM 0 HB VAL A 105 3.699 0.025 -8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.077 0.667 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.730 -0.294 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.540 -1.050 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.792 0.302 -10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.195 -1.432 -10.829 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.493 -0.913 -10.877 1.00 0.00 H new ATOM 1547 N ARG A 106 5.967 -3.199 -7.541 1.00 0.00 N ATOM 1548 CA ARG A 106 6.801 -3.469 -6.428 1.00 0.00 C ATOM 1549 C ARG A 106 7.943 -2.604 -6.403 1.00 0.00 C ATOM 1550 O ARG A 106 8.427 -2.060 -7.396 1.00 0.00 O ATOM 1551 CB ARG A 106 7.430 -4.828 -6.239 1.00 0.00 C ATOM 1552 CG ARG A 106 7.248 -5.232 -4.805 1.00 0.00 C ATOM 1553 CD ARG A 106 7.975 -6.471 -4.430 1.00 0.00 C ATOM 1554 NE ARG A 106 7.884 -6.743 -2.984 1.00 0.00 N ATOM 1555 CZ ARG A 106 7.806 -5.782 -2.047 1.00 0.00 C ATOM 1556 NH1 ARG A 106 8.069 -4.529 -2.367 1.00 0.00 N ATOM 1557 NH2 ARG A 106 7.535 -6.080 -0.776 1.00 0.00 N ATOM 0 H ARG A 106 6.276 -3.554 -8.446 1.00 0.00 H new ATOM 0 HA ARG A 106 6.046 -3.341 -5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.965 -5.558 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.489 -4.796 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.584 -4.417 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.185 -5.374 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.565 -7.315 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.022 -6.379 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 106 7.880 -7.716 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.331 -4.291 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.010 -3.798 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.383 -7.050 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.480 -5.338 -0.079 1.00 0.00 H new ATOM 1568 N GLU A 107 8.416 -2.599 -5.236 1.00 0.00 N ATOM 1569 CA GLU A 107 9.584 -1.939 -4.943 1.00 0.00 C ATOM 1570 C GLU A 107 10.654 -2.984 -4.816 1.00 0.00 C ATOM 1571 O GLU A 107 10.788 -3.612 -3.773 1.00 0.00 O ATOM 1572 CB GLU A 107 9.366 -1.139 -3.674 1.00 0.00 C ATOM 1573 CG GLU A 107 8.486 -1.852 -2.688 1.00 0.00 C ATOM 1574 CD GLU A 107 8.032 -0.957 -1.566 1.00 0.00 C ATOM 1575 OE1 GLU A 107 8.820 -0.078 -1.161 1.00 0.00 O ATOM 1576 OE2 GLU A 107 6.893 -1.135 -1.084 1.00 0.00 O ATOM 0 H GLU A 107 7.983 -3.069 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 107 9.891 -1.232 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.330 -0.930 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.918 -0.178 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.614 -2.250 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.026 -2.703 -2.273 1.00 0.00 H new ATOM 1581 N ILE A 108 11.399 -3.181 -5.906 1.00 0.00 N ATOM 1582 CA ILE A 108 12.449 -4.170 -5.942 1.00 0.00 C ATOM 1583 C ILE A 108 13.349 -4.010 -7.179 1.00 0.00 C ATOM 1584 O ILE A 108 12.878 -4.128 -8.310 1.00 0.00 O ATOM 1585 CB ILE A 108 11.889 -5.610 -5.961 1.00 0.00 C ATOM 1586 CG1 ILE A 108 11.357 -6.030 -4.589 1.00 0.00 C ATOM 1587 CG2 ILE A 108 12.949 -6.580 -6.453 1.00 0.00 C ATOM 1588 CD1 ILE A 108 11.023 -7.505 -4.479 1.00 0.00 C ATOM 0 H ILE A 108 11.284 -2.659 -6.775 1.00 0.00 H new ATOM 0 HA ILE A 108 13.029 -4.006 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 108 11.047 -5.632 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.099 -5.779 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.463 -5.448 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.541 -7.591 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.255 -6.304 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.813 -6.543 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.653 -7.720 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.257 -7.760 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.919 -8.096 -4.670 1.00 0.00 H new ATOM 1599 N SER A 109 14.641 -3.794 -6.956 1.00 0.00 N ATOM 1600 CA SER A 109 15.620 -3.676 -8.047 1.00 0.00 C ATOM 1601 C SER A 109 17.022 -3.710 -7.458 1.00 0.00 C ATOM 1602 O SER A 109 17.438 -2.719 -6.861 1.00 0.00 O ATOM 1603 CB SER A 109 15.419 -2.371 -8.825 1.00 0.00 C ATOM 1604 OG SER A 109 14.161 -2.346 -9.477 1.00 0.00 O ATOM 0 H SER A 109 15.043 -3.695 -6.024 1.00 0.00 H new ATOM 0 HA SER A 109 15.481 -4.508 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.494 -1.524 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.215 -2.259 -9.562 1.00 0.00 H new ATOM 0 HG SER A 109 13.767 -3.243 -9.462 1.00 0.00 H new ATOM 1609 N GLY A 110 17.744 -4.842 -7.580 1.00 0.00 N ATOM 1610 CA GLY A 110 19.068 -4.903 -6.966 1.00 0.00 C ATOM 1611 C GLY A 110 18.946 -4.246 -5.619 1.00 0.00 C ATOM 1612 O GLY A 110 18.117 -4.663 -4.810 1.00 0.00 O ATOM 0 H GLY A 110 17.445 -5.683 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.401 -5.936 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.805 -4.389 -7.583 1.00 0.00 H new ATOM 1616 N ASN A 111 19.639 -3.140 -5.411 1.00 0.00 N ATOM 1617 CA ASN A 111 19.404 -2.401 -4.193 1.00 0.00 C ATOM 1618 C ASN A 111 18.689 -1.125 -4.618 1.00 0.00 C ATOM 1619 O ASN A 111 19.308 -0.096 -4.891 1.00 0.00 O ATOM 1620 CB ASN A 111 20.718 -2.091 -3.469 1.00 0.00 C ATOM 1621 CG ASN A 111 21.723 -1.389 -4.363 1.00 0.00 C ATOM 1622 OD1 ASN A 111 22.137 -1.926 -5.392 1.00 0.00 O ATOM 1623 ND2 ASN A 111 22.122 -0.184 -3.975 1.00 0.00 N ATOM 0 H ASN A 111 20.339 -2.750 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 111 18.805 -2.975 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 111 20.511 -1.467 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.153 -3.019 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.797 0.335 -4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.753 0.223 -3.116 1.00 0.00 H new ATOM 1629 N GLU A 112 17.367 -1.234 -4.689 1.00 0.00 N ATOM 1630 CA GLU A 112 16.503 -0.137 -5.101 1.00 0.00 C ATOM 1631 C GLU A 112 15.044 -0.564 -5.002 1.00 0.00 C ATOM 1632 O GLU A 112 14.683 -1.609 -5.540 1.00 0.00 O ATOM 1633 CB GLU A 112 16.828 0.271 -6.541 1.00 0.00 C ATOM 1634 CG GLU A 112 15.776 1.165 -7.177 1.00 0.00 C ATOM 1635 CD GLU A 112 16.079 1.477 -8.630 1.00 0.00 C ATOM 1636 OE1 GLU A 112 17.159 2.041 -8.904 1.00 0.00 O ATOM 1637 OE2 GLU A 112 15.236 1.156 -9.493 1.00 0.00 O ATOM 0 H GLU A 112 16.863 -2.091 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 112 16.672 0.715 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.787 0.788 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.942 -0.628 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.802 0.680 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.708 2.097 -6.615 1.00 0.00 H new ATOM 1642 N LEU A 113 14.195 0.226 -4.367 1.00 0.00 N ATOM 1643 CA LEU A 113 12.792 -0.136 -4.283 1.00 0.00 C ATOM 1644 C LEU A 113 11.931 0.907 -4.981 1.00 0.00 C ATOM 1645 O LEU A 113 12.347 2.034 -5.175 1.00 0.00 O ATOM 1646 CB LEU A 113 12.383 -0.322 -2.837 1.00 0.00 C ATOM 1647 CG LEU A 113 12.767 -1.674 -2.222 1.00 0.00 C ATOM 1648 CD1 LEU A 113 11.595 -2.283 -1.466 1.00 0.00 C ATOM 1649 CD2 LEU A 113 13.323 -2.651 -3.243 1.00 0.00 C ATOM 0 H LEU A 113 14.445 1.104 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 113 12.639 -1.086 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.835 0.472 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.302 -0.200 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 113 13.571 -1.475 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.895 -3.241 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.289 -1.610 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.760 -2.435 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 113 13.577 -3.589 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.575 -2.838 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.218 -2.229 -3.701 1.00 0.00 H new ATOM 1660 N ILE A 114 10.756 0.497 -5.405 1.00 0.00 N ATOM 1661 CA ILE A 114 9.834 1.353 -6.140 1.00 0.00 C ATOM 1662 C ILE A 114 8.406 1.141 -5.710 1.00 0.00 C ATOM 1663 O ILE A 114 7.905 0.026 -5.661 1.00 0.00 O ATOM 1664 CB ILE A 114 9.864 1.028 -7.630 1.00 0.00 C ATOM 1665 CG1 ILE A 114 11.203 0.406 -7.991 1.00 0.00 C ATOM 1666 CG2 ILE A 114 9.598 2.275 -8.461 1.00 0.00 C ATOM 1667 CD1 ILE A 114 12.374 1.366 -7.864 1.00 0.00 C ATOM 0 H ILE A 114 10.405 -0.448 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 114 10.155 2.375 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 114 9.074 0.311 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.379 -0.456 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.158 0.035 -9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.624 2.019 -9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.617 2.678 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.362 3.023 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.296 0.853 -8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.221 2.216 -8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.446 1.718 -6.835 1.00 0.00 H new ATOM 1678 N GLN A 115 7.728 2.215 -5.469 1.00 0.00 N ATOM 1679 CA GLN A 115 6.345 2.125 -5.099 1.00 0.00 C ATOM 1680 C GLN A 115 5.526 3.018 -5.980 1.00 0.00 C ATOM 1681 O GLN A 115 5.541 4.239 -5.837 1.00 0.00 O ATOM 1682 CB GLN A 115 6.158 2.487 -3.641 1.00 0.00 C ATOM 1683 CG GLN A 115 6.797 1.473 -2.706 1.00 0.00 C ATOM 1684 CD GLN A 115 6.513 1.766 -1.245 1.00 0.00 C ATOM 1685 OE1 GLN A 115 5.370 1.680 -0.795 1.00 0.00 O ATOM 1686 NE2 GLN A 115 7.552 2.126 -0.496 1.00 0.00 N ATOM 0 H GLN A 115 8.102 3.162 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 115 6.008 1.097 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.589 3.471 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 115 5.093 2.559 -3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.429 0.477 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.875 1.464 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.483 2.185 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 115 7.418 2.343 0.492 1.00 0.00 H new ATOM 1693 N THR A 116 4.811 2.406 -6.896 1.00 0.00 N ATOM 1694 CA THR A 116 3.999 3.156 -7.797 1.00 0.00 C ATOM 1695 C THR A 116 2.574 3.138 -7.323 1.00 0.00 C ATOM 1696 O THR A 116 1.925 2.090 -7.332 1.00 0.00 O ATOM 1697 CB THR A 116 4.013 2.580 -9.211 1.00 0.00 C ATOM 1698 OG1 THR A 116 5.332 2.187 -9.562 1.00 0.00 O ATOM 1699 CG2 THR A 116 3.507 3.613 -10.183 1.00 0.00 C ATOM 0 H THR A 116 4.782 1.395 -7.028 1.00 0.00 H new ATOM 0 HA THR A 116 4.408 4.166 -7.821 1.00 0.00 H new ATOM 0 HB THR A 116 3.364 1.705 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.936 2.361 -8.810 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.518 3.200 -11.192 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.488 3.894 -9.917 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.148 4.494 -10.145 1.00 0.00 H new ATOM 1707 N TYR A 117 2.067 4.286 -6.935 1.00 0.00 N ATOM 1708 CA TYR A 117 0.706 4.340 -6.501 1.00 0.00 C ATOM 1709 C TYR A 117 -0.074 5.244 -7.415 1.00 0.00 C ATOM 1710 O TYR A 117 0.327 6.370 -7.698 1.00 0.00 O ATOM 1711 CB TYR A 117 0.516 4.859 -5.077 1.00 0.00 C ATOM 1712 CG TYR A 117 1.674 4.665 -4.102 1.00 0.00 C ATOM 1713 CD1 TYR A 117 2.910 5.285 -4.284 1.00 0.00 C ATOM 1714 CD2 TYR A 117 1.505 3.883 -2.964 1.00 0.00 C ATOM 1715 CE1 TYR A 117 3.940 5.122 -3.364 1.00 0.00 C ATOM 1716 CE2 TYR A 117 2.524 3.723 -2.043 1.00 0.00 C ATOM 1717 CZ TYR A 117 3.738 4.343 -2.248 1.00 0.00 C ATOM 1718 OH TYR A 117 4.753 4.190 -1.331 1.00 0.00 O ATOM 0 H TYR A 117 2.570 5.173 -6.914 1.00 0.00 H new ATOM 0 HA TYR A 117 0.353 3.309 -6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.297 5.925 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -0.365 4.374 -4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 117 3.070 5.903 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.558 3.391 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 117 4.893 5.604 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.369 3.114 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 117 4.657 3.327 -0.877 1.00 0.00 H new ATOM 1727 N THR A 118 -1.187 4.735 -7.858 1.00 0.00 N ATOM 1728 CA THR A 118 -2.067 5.449 -8.735 1.00 0.00 C ATOM 1729 C THR A 118 -3.399 5.695 -8.006 1.00 0.00 C ATOM 1730 O THR A 118 -3.679 5.074 -6.982 1.00 0.00 O ATOM 1731 CB THR A 118 -2.220 4.626 -10.032 1.00 0.00 C ATOM 1732 OG1 THR A 118 -0.966 3.998 -10.342 1.00 0.00 O ATOM 1733 CG2 THR A 118 -2.601 5.515 -11.198 1.00 0.00 C ATOM 0 H THR A 118 -1.513 3.799 -7.616 1.00 0.00 H new ATOM 0 HA THR A 118 -1.673 6.427 -9.011 1.00 0.00 H new ATOM 0 HB THR A 118 -3.003 3.884 -9.874 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.058 3.473 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.702 4.910 -12.099 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.549 6.009 -10.984 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.826 6.267 -11.351 1.00 0.00 H new ATOM 1741 N TYR A 119 -4.204 6.612 -8.484 1.00 0.00 N ATOM 1742 CA TYR A 119 -5.479 6.904 -7.841 1.00 0.00 C ATOM 1743 C TYR A 119 -6.218 7.794 -8.801 1.00 0.00 C ATOM 1744 O TYR A 119 -5.790 8.912 -9.058 1.00 0.00 O ATOM 1745 CB TYR A 119 -5.276 7.518 -6.433 1.00 0.00 C ATOM 1746 CG TYR A 119 -4.544 8.845 -6.394 1.00 0.00 C ATOM 1747 CD1 TYR A 119 -5.198 10.018 -6.748 1.00 0.00 C ATOM 1748 CD2 TYR A 119 -3.203 8.931 -6.003 1.00 0.00 C ATOM 1749 CE1 TYR A 119 -4.553 11.234 -6.730 1.00 0.00 C ATOM 1750 CE2 TYR A 119 -2.550 10.160 -5.986 1.00 0.00 C ATOM 1751 CZ TYR A 119 -3.234 11.302 -6.353 1.00 0.00 C ATOM 1752 OH TYR A 119 -2.591 12.517 -6.356 1.00 0.00 O ATOM 0 H TYR A 119 -4.007 7.172 -9.313 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.065 6.006 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.254 7.650 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.727 6.803 -5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.236 9.975 -7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.671 8.037 -5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.083 12.132 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -1.514 10.220 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 119 -2.229 12.698 -5.463 1.00 0.00 H new ATOM 1761 N GLU A 120 -7.250 7.247 -9.426 1.00 0.00 N ATOM 1762 CA GLU A 120 -7.951 7.962 -10.475 1.00 0.00 C ATOM 1763 C GLU A 120 -7.024 7.917 -11.676 1.00 0.00 C ATOM 1764 O GLU A 120 -7.287 7.223 -12.658 1.00 0.00 O ATOM 1765 CB GLU A 120 -8.248 9.407 -10.074 1.00 0.00 C ATOM 1766 CG GLU A 120 -8.887 9.531 -8.705 1.00 0.00 C ATOM 1767 CD GLU A 120 -8.970 10.967 -8.227 1.00 0.00 C ATOM 1768 OE1 GLU A 120 -9.635 11.780 -8.902 1.00 0.00 O ATOM 1769 OE2 GLU A 120 -8.366 11.279 -7.179 1.00 0.00 O ATOM 0 H GLU A 120 -7.617 6.317 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.919 7.507 -10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.320 9.978 -10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.908 9.854 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -9.889 9.104 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.314 8.946 -7.986 1.00 0.00 H new ATOM 1774 N GLY A 121 -5.880 8.584 -11.534 1.00 0.00 N ATOM 1775 CA GLY A 121 -4.863 8.530 -12.545 1.00 0.00 C ATOM 1776 C GLY A 121 -3.576 9.205 -12.117 1.00 0.00 C ATOM 1777 O GLY A 121 -3.417 10.416 -12.278 1.00 0.00 O ATOM 0 H GLY A 121 -5.648 9.162 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.657 7.489 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.233 9.006 -13.453 1.00 0.00 H new ATOM 1781 N VAL A 122 -2.639 8.411 -11.620 1.00 0.00 N ATOM 1782 CA VAL A 122 -1.337 8.911 -11.220 1.00 0.00 C ATOM 1783 C VAL A 122 -0.365 7.783 -10.957 1.00 0.00 C ATOM 1784 O VAL A 122 -0.384 7.165 -9.907 1.00 0.00 O ATOM 1785 CB VAL A 122 -1.393 9.806 -9.965 1.00 0.00 C ATOM 1786 CG1 VAL A 122 -2.347 9.211 -8.963 1.00 0.00 C ATOM 1787 CG2 VAL A 122 -0.006 9.957 -9.355 1.00 0.00 C ATOM 0 H VAL A 122 -2.761 7.407 -11.484 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.994 9.514 -12.061 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.748 10.796 -10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.386 9.844 -8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.342 9.143 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.005 8.215 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.065 10.592 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.376 8.976 -9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.665 10.412 -10.084 1.00 0.00 H new ATOM 1797 N GLU A 123 0.527 7.562 -11.881 1.00 0.00 N ATOM 1798 CA GLU A 123 1.534 6.548 -11.700 1.00 0.00 C ATOM 1799 C GLU A 123 2.810 7.265 -11.271 1.00 0.00 C ATOM 1800 O GLU A 123 3.330 8.103 -12.008 1.00 0.00 O ATOM 1801 CB GLU A 123 1.737 5.779 -13.005 1.00 0.00 C ATOM 1802 CG GLU A 123 2.967 4.890 -13.021 1.00 0.00 C ATOM 1803 CD GLU A 123 3.235 4.291 -14.388 1.00 0.00 C ATOM 1804 OE1 GLU A 123 2.358 3.562 -14.899 1.00 0.00 O ATOM 1805 OE2 GLU A 123 4.320 4.550 -14.948 1.00 0.00 O ATOM 0 H GLU A 123 0.580 8.067 -12.766 1.00 0.00 H new ATOM 0 HA GLU A 123 1.241 5.821 -10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.856 5.164 -13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.808 6.492 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.834 5.470 -12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.840 4.087 -12.295 1.00 0.00 H new ATOM 1810 N ALA A 124 3.275 6.992 -10.055 1.00 0.00 N ATOM 1811 CA ALA A 124 4.445 7.688 -9.530 1.00 0.00 C ATOM 1812 C ALA A 124 5.170 6.859 -8.483 1.00 0.00 C ATOM 1813 O ALA A 124 4.544 6.066 -7.784 1.00 0.00 O ATOM 1814 CB ALA A 124 3.997 9.014 -8.928 1.00 0.00 C ATOM 0 H ALA A 124 2.866 6.304 -9.423 1.00 0.00 H new ATOM 0 HA ALA A 124 5.144 7.860 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.863 9.545 -8.532 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.521 9.621 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 124 3.287 8.827 -8.123 1.00 0.00 H new ATOM 1820 N LYS A 125 6.508 7.002 -8.420 1.00 0.00 N ATOM 1821 CA LYS A 125 7.333 6.231 -7.481 1.00 0.00 C ATOM 1822 C LYS A 125 8.718 6.868 -7.270 1.00 0.00 C ATOM 1823 O LYS A 125 9.261 7.502 -8.174 1.00 0.00 O ATOM 1824 CB LYS A 125 7.467 4.791 -7.966 1.00 0.00 C ATOM 1825 CG LYS A 125 6.682 4.461 -9.234 1.00 0.00 C ATOM 1826 CD LYS A 125 6.949 5.403 -10.387 1.00 0.00 C ATOM 1827 CE LYS A 125 6.017 5.078 -11.528 1.00 0.00 C ATOM 1828 NZ LYS A 125 6.007 3.617 -11.845 1.00 0.00 N ATOM 0 H LYS A 125 7.037 7.645 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 125 6.831 6.237 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.521 4.580 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.139 4.123 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.925 3.445 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.617 4.478 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.805 6.435 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 125 7.985 5.312 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.007 5.401 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.318 5.639 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.304 3.428 -12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.949 3.327 -12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.761 3.078 -10.990 1.00 0.00 H new ATOM 1838 N ARG A 126 9.288 6.684 -6.062 1.00 0.00 N ATOM 1839 CA ARG A 126 10.607 7.231 -5.728 1.00 0.00 C ATOM 1840 C ARG A 126 11.159 6.521 -4.523 1.00 0.00 C ATOM 1841 O ARG A 126 10.682 6.692 -3.419 1.00 0.00 O ATOM 1842 CB ARG A 126 10.542 8.748 -5.498 1.00 0.00 C ATOM 1843 CG ARG A 126 10.793 9.253 -4.077 1.00 0.00 C ATOM 1844 CD ARG A 126 9.582 9.821 -3.410 1.00 0.00 C ATOM 1845 NE ARG A 126 9.793 9.883 -1.974 1.00 0.00 N ATOM 1846 CZ ARG A 126 8.843 10.154 -1.086 1.00 0.00 C ATOM 1847 NH1 ARG A 126 7.624 10.477 -1.487 1.00 0.00 N ATOM 1848 NH2 ARG A 126 9.109 10.098 0.207 1.00 0.00 N ATOM 0 H ARG A 126 8.850 6.159 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 126 11.277 7.065 -6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.270 9.221 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.557 9.095 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.176 8.431 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.571 10.016 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.375 10.818 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.711 9.205 -3.632 1.00 0.00 H new ATOM 0 HE ARG A 126 10.735 9.706 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.409 10.519 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.899 10.684 -0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.045 9.846 0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 126 8.378 10.306 0.887 1.00 0.00 H new ATOM 1859 N ILE A 127 12.143 5.680 -4.730 1.00 0.00 N ATOM 1860 CA ILE A 127 12.698 4.934 -3.628 1.00 0.00 C ATOM 1861 C ILE A 127 14.020 4.282 -4.009 1.00 0.00 C ATOM 1862 O ILE A 127 14.068 3.469 -4.925 1.00 0.00 O ATOM 1863 CB ILE A 127 11.755 3.780 -3.185 1.00 0.00 C ATOM 1864 CG1 ILE A 127 10.272 4.060 -3.499 1.00 0.00 C ATOM 1865 CG2 ILE A 127 11.913 3.495 -1.702 1.00 0.00 C ATOM 1866 CD1 ILE A 127 9.355 3.038 -2.903 1.00 0.00 C ATOM 0 H ILE A 127 12.571 5.497 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 127 12.834 5.655 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 127 12.053 2.906 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.005 5.047 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.131 4.083 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.244 2.684 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.943 3.206 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.665 4.390 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.323 3.284 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.601 2.053 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.472 3.032 -1.819 1.00 0.00 H new ATOM 1877 N PHE A 128 15.071 4.547 -3.257 1.00 0.00 N ATOM 1878 CA PHE A 128 16.316 3.854 -3.503 1.00 0.00 C ATOM 1879 C PHE A 128 16.666 3.186 -2.224 1.00 0.00 C ATOM 1880 O PHE A 128 17.115 3.779 -1.250 1.00 0.00 O ATOM 1881 CB PHE A 128 17.380 4.764 -4.045 1.00 0.00 C ATOM 1882 CG PHE A 128 16.988 5.217 -5.411 1.00 0.00 C ATOM 1883 CD1 PHE A 128 16.544 4.274 -6.314 1.00 0.00 C ATOM 1884 CD2 PHE A 128 17.004 6.551 -5.778 1.00 0.00 C ATOM 1885 CE1 PHE A 128 16.131 4.643 -7.578 1.00 0.00 C ATOM 1886 CE2 PHE A 128 16.586 6.934 -7.042 1.00 0.00 C ATOM 1887 CZ PHE A 128 16.152 5.977 -7.945 1.00 0.00 C ATOM 0 H PHE A 128 15.088 5.220 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 128 16.218 3.107 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 128 17.510 5.623 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 128 18.337 4.243 -4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 128 16.519 3.233 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 128 17.344 7.297 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 128 15.793 3.893 -8.278 1.00 0.00 H new ATOM 0 HE2 PHE A 128 16.598 7.977 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 128 15.831 6.272 -8.933 1.00 0.00 H new ATOM 1896 N LYS A 129 16.278 1.956 -2.246 1.00 0.00 N ATOM 1897 CA LYS A 129 16.297 1.100 -1.090 1.00 0.00 C ATOM 1898 C LYS A 129 17.369 0.052 -0.997 1.00 0.00 C ATOM 1899 O LYS A 129 18.036 -0.316 -1.962 1.00 0.00 O ATOM 1900 CB LYS A 129 14.981 0.380 -1.049 1.00 0.00 C ATOM 1901 CG LYS A 129 13.797 1.209 -0.625 1.00 0.00 C ATOM 1902 CD LYS A 129 12.795 0.373 0.144 1.00 0.00 C ATOM 1903 CE LYS A 129 11.510 1.105 0.428 1.00 0.00 C ATOM 1904 NZ LYS A 129 11.735 2.432 1.064 1.00 0.00 N ATOM 0 H LYS A 129 15.928 1.498 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 129 16.502 1.777 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.780 -0.028 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.072 -0.466 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.134 2.040 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.317 1.640 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.574 -0.531 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.242 0.057 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.960 1.241 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.885 0.495 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.096 3.134 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.545 2.365 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.721 2.726 0.914 1.00 0.00 H new ATOM 1914 N LYS A 130 17.419 -0.471 0.224 1.00 0.00 N ATOM 1915 CA LYS A 130 18.282 -1.558 0.609 1.00 0.00 C ATOM 1916 C LYS A 130 19.752 -1.296 0.297 1.00 0.00 C ATOM 1917 O LYS A 130 20.089 -0.551 -0.622 1.00 0.00 O ATOM 1918 CB LYS A 130 17.790 -2.826 -0.065 1.00 0.00 C ATOM 1919 CG LYS A 130 18.040 -4.082 0.738 1.00 0.00 C ATOM 1920 CD LYS A 130 18.031 -5.322 -0.137 1.00 0.00 C ATOM 1921 CE LYS A 130 17.487 -6.520 0.621 1.00 0.00 C ATOM 1922 NZ LYS A 130 18.285 -6.817 1.843 1.00 0.00 N ATOM 0 H LYS A 130 16.837 -0.132 0.990 1.00 0.00 H new ATOM 0 HA LYS A 130 18.234 -1.666 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 130 16.720 -2.734 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 130 18.278 -2.923 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 130 19.001 -4.003 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 130 17.277 -4.177 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 130 17.423 -5.141 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 130 19.043 -5.535 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.451 -6.331 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 130 17.486 -7.392 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 17.933 -7.690 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 19.285 -6.939 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 18.196 -6.029 2.516 1.00 0.00 H new ATOM 1932 N GLU A 131 20.621 -1.917 1.088 1.00 0.00 N ATOM 1933 CA GLU A 131 22.065 -1.762 0.923 1.00 0.00 C ATOM 1934 C GLU A 131 22.483 -0.307 1.127 1.00 0.00 C ATOM 1935 O GLU A 131 22.243 0.226 2.231 1.00 0.00 O ATOM 1936 CB GLU A 131 22.503 -2.245 -0.464 1.00 0.00 C ATOM 1937 CG GLU A 131 22.272 -3.729 -0.696 1.00 0.00 C ATOM 1938 CD GLU A 131 23.082 -4.600 0.244 1.00 0.00 C ATOM 1939 OE1 GLU A 131 24.327 -4.502 0.218 1.00 0.00 O ATOM 1940 OE2 GLU A 131 22.472 -5.380 1.005 1.00 0.00 O ATOM 1941 OXT GLU A 131 23.046 0.287 0.183 1.00 0.00 O ATOM 0 H GLU A 131 20.351 -2.535 1.853 1.00 0.00 H new ATOM 0 HA GLU A 131 22.557 -2.373 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 131 21.963 -1.679 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 131 23.562 -2.026 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 131 21.213 -3.952 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 131 22.529 -3.976 -1.726 1.00 0.00 H new TER 1946 GLU A 131