USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 800 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 90 SER OG : rot 130:sc= -1.32 USER MOD Set 1.2: A 91 GLN : amide:sc= 0.586 K(o=-0.73,f=-1.9) USER MOD Set 2.1: A 71 GLN : amide:sc= 1.01 K(o=2.1,f=-8.9!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 156:sc= 1.09 (180deg=-0.834) USER MOD Set 3.1: A 11 TYR OH : rot 32:sc= 1.1 USER MOD Set 3.2: A 85 SER OG : rot 5:sc= 0.961 USER MOD Set 4.1: A 54 THR OG1 : rot -32:sc= 0.848 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -167:sc=-0.00842! (180deg=-0.982!) USER MOD Set 5.1: A 40 LYS NZ :NH3+ 166:sc= 1.76! (180deg=1.64) USER MOD Set 5.2: A 42 ASN : amide:sc= 1.53! C(o=4.1!,f=-9!) USER MOD Set 5.3: A 62 SER OG : rot -22:sc= 0.817 USER MOD Set 6.1: A 29 GLN : amide:sc= 0.559 K(o=1.1,f=-1.1) USER MOD Set 6.2: A 33 ASN : amide:sc= 0.522 K(o=1.1,f=-0.87) USER MOD Set 7.1: A 24 TYR OH : rot 180:sc= 0.872 USER MOD Set 7.2: A 49 ASN : amide:sc= 1 K(o=1.9,f=0.84) USER MOD Set 8.1: A 21 ASN :FLIP amide:sc= 0 X(o=-0.4,f=0) USER MOD Set 8.2: A 25 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Set 9.1: A 19 ASN : amide:sc= 1.57 K(o=1.3,f=-5.1!) USER MOD Set 9.2: A 22 THR OG1 : rot -150:sc= -1.09 USER MOD Set 9.3: A 80 ASN : amide:sc= 0.784 K(o=1.3,f=-6.2) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -136:sc= -0.825 (180deg=-1.31!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 141:sc= 0.851 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 130:sc= 0.349 USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.735 USER MOD Single : A 32 GLN : amide:sc= -0.144 K(o=-0.14,f=-7.6!) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.722 F(o=-2.7!,f=-0.72) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -41:sc= 0.714 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -160:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -1.68! (180deg=-2.11) USER MOD Single : A 51 ASN :FLIP amide:sc=-0.00346 F(o=-2.2,f=-0.0035) USER MOD Single : A 52 ASN : amide:sc= 0.562 K(o=0.56,f=-0.17) USER MOD Single : A 60 SER OG : rot -143:sc= 0.679 USER MOD Single : A 64 SER OG : rot -8:sc= 0.206 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.493 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -150:sc= -0.706 (180deg=-3.64!) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -1.83! (180deg=-3.31!) USER MOD Single : A 79 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-1.4) USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.989 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0.18! C(o=0.18!,f=-8.9!) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00293 USER MOD Single : A 97 SER OG : rot 66:sc= -0.686 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.4) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.560 -11.714 5.696 1.00 4.52 N ATOM 73 CA GLN A 6 -1.493 -12.630 5.940 1.00 13.41 C ATOM 74 C GLN A 6 -0.183 -11.988 5.589 1.00 41.01 C ATOM 75 O GLN A 6 -0.081 -11.261 4.593 1.00 60.05 O ATOM 76 CB GLN A 6 -1.676 -13.900 5.100 1.00 52.42 C ATOM 77 CG GLN A 6 -2.957 -14.677 5.395 1.00 20.22 C ATOM 78 CD GLN A 6 -3.120 -15.920 4.536 1.00 75.52 C ATOM 79 OE1 GLN A 6 -2.599 -15.893 3.330 1.00 55.12 O flip ATOM 80 NE2 GLN A 6 -3.716 -16.894 4.951 1.00 51.20 N flip ATOM 0 HA GLN A 6 -1.500 -12.898 6.997 1.00 13.41 H new ATOM 0 HB2 GLN A 6 -1.667 -13.627 4.045 1.00 52.42 H new ATOM 0 HB3 GLN A 6 -0.822 -14.556 5.266 1.00 52.42 H new ATOM 0 HG2 GLN A 6 -2.963 -14.967 6.446 1.00 20.22 H new ATOM 0 HG3 GLN A 6 -3.814 -14.022 5.240 1.00 20.22 H new ATOM 0 HE21 GLN A 6 -4.111 -16.888 5.892 1.00 51.20 H new ATOM 0 HE22 GLN A 6 -3.822 -17.718 4.359 1.00 51.20 H new ATOM 89 N TYR A 7 0.789 -12.215 6.412 1.00 25.43 N ATOM 90 CA TYR A 7 2.121 -11.769 6.164 1.00 12.12 C ATOM 91 C TYR A 7 3.040 -12.975 6.142 1.00 71.11 C ATOM 92 O TYR A 7 3.122 -13.719 7.116 1.00 74.21 O ATOM 93 CB TYR A 7 2.570 -10.680 7.179 1.00 20.32 C ATOM 94 CG TYR A 7 2.477 -11.057 8.655 1.00 62.44 C ATOM 95 CD1 TYR A 7 1.274 -10.941 9.348 1.00 64.45 C ATOM 96 CD2 TYR A 7 3.592 -11.509 9.353 1.00 0.13 C ATOM 97 CE1 TYR A 7 1.188 -11.268 10.686 1.00 33.01 C ATOM 98 CE2 TYR A 7 3.510 -11.841 10.691 1.00 3.51 C ATOM 99 CZ TYR A 7 2.307 -11.717 11.353 1.00 63.11 C ATOM 100 OH TYR A 7 2.224 -12.045 12.687 1.00 54.25 O ATOM 0 H TYR A 7 0.678 -12.724 7.289 1.00 25.43 H new ATOM 0 HA TYR A 7 2.168 -11.280 5.191 1.00 12.12 H new ATOM 0 HB2 TYR A 7 3.603 -10.411 6.958 1.00 20.32 H new ATOM 0 HB3 TYR A 7 1.966 -9.788 7.014 1.00 20.32 H new ATOM 0 HD1 TYR A 7 0.394 -10.589 8.830 1.00 64.45 H new ATOM 0 HD2 TYR A 7 4.538 -11.602 8.840 1.00 0.13 H new ATOM 0 HE1 TYR A 7 0.247 -11.172 11.208 1.00 33.01 H new ATOM 0 HE2 TYR A 7 4.384 -12.196 11.216 1.00 3.51 H new ATOM 0 HH TYR A 7 3.101 -12.345 13.005 1.00 54.25 H new ATOM 110 N LYS A 8 3.669 -13.204 5.032 1.00 15.43 N ATOM 111 CA LYS A 8 4.554 -14.322 4.893 1.00 62.05 C ATOM 112 C LYS A 8 5.776 -13.950 4.101 1.00 4.30 C ATOM 113 O LYS A 8 5.670 -13.411 3.007 1.00 11.11 O ATOM 114 CB LYS A 8 3.860 -15.562 4.276 1.00 51.43 C ATOM 115 CG LYS A 8 4.865 -16.637 3.879 1.00 55.42 C ATOM 116 CD LYS A 8 4.255 -17.930 3.400 1.00 1.41 C ATOM 117 CE LYS A 8 5.344 -18.819 2.783 1.00 75.43 C ATOM 118 NZ LYS A 8 6.540 -18.979 3.670 1.00 24.31 N ATOM 0 H LYS A 8 3.585 -12.624 4.197 1.00 15.43 H new ATOM 0 HA LYS A 8 4.862 -14.599 5.901 1.00 62.05 H new ATOM 0 HB2 LYS A 8 3.151 -15.975 4.993 1.00 51.43 H new ATOM 0 HB3 LYS A 8 3.287 -15.259 3.399 1.00 51.43 H new ATOM 0 HG2 LYS A 8 5.507 -16.241 3.092 1.00 55.42 H new ATOM 0 HG3 LYS A 8 5.505 -16.849 4.735 1.00 55.42 H new ATOM 0 HD2 LYS A 8 3.777 -18.448 4.232 1.00 1.41 H new ATOM 0 HD3 LYS A 8 3.478 -17.726 2.663 1.00 1.41 H new ATOM 0 HE2 LYS A 8 4.924 -19.802 2.567 1.00 75.43 H new ATOM 0 HE3 LYS A 8 5.659 -18.391 1.831 1.00 75.43 H new ATOM 0 HZ1 LYS A 8 7.407 -18.879 3.105 1.00 24.31 H new ATOM 0 HZ2 LYS A 8 6.523 -18.249 4.410 1.00 24.31 H new ATOM 0 HZ3 LYS A 8 6.521 -19.920 4.112 1.00 24.31 H new ATOM 132 N ASP A 9 6.928 -14.226 4.698 1.00 22.03 N ATOM 133 CA ASP A 9 8.265 -14.034 4.103 1.00 42.11 C ATOM 134 C ASP A 9 8.433 -12.596 3.624 1.00 34.22 C ATOM 135 O ASP A 9 9.103 -12.318 2.641 1.00 23.24 O ATOM 136 CB ASP A 9 8.488 -15.031 2.922 1.00 72.51 C ATOM 137 CG ASP A 9 8.287 -16.512 3.291 1.00 70.25 C ATOM 138 OD1 ASP A 9 7.970 -16.840 4.468 1.00 70.13 O ATOM 139 OD2 ASP A 9 8.346 -17.380 2.403 1.00 5.45 O ATOM 0 H ASP A 9 6.970 -14.604 5.644 1.00 22.03 H new ATOM 0 HA ASP A 9 9.014 -14.234 4.869 1.00 42.11 H new ATOM 0 HB2 ASP A 9 7.804 -14.775 2.113 1.00 72.51 H new ATOM 0 HB3 ASP A 9 9.500 -14.899 2.538 1.00 72.51 H new ATOM 144 N GLY A 10 7.867 -11.676 4.385 1.00 11.14 N ATOM 145 CA GLY A 10 7.969 -10.277 4.067 1.00 74.40 C ATOM 146 C GLY A 10 6.807 -9.769 3.223 1.00 1.40 C ATOM 147 O GLY A 10 6.531 -8.558 3.213 1.00 11.03 O ATOM 0 H GLY A 10 7.332 -11.881 5.229 1.00 11.14 H new ATOM 0 HA2 GLY A 10 8.016 -9.703 4.992 1.00 74.40 H new ATOM 0 HA3 GLY A 10 8.903 -10.099 3.533 1.00 74.40 H new ATOM 151 N TYR A 11 6.121 -10.667 2.546 1.00 25.21 N ATOM 152 CA TYR A 11 5.039 -10.309 1.646 1.00 74.32 C ATOM 153 C TYR A 11 3.759 -10.150 2.465 1.00 33.22 C ATOM 154 O TYR A 11 3.452 -10.987 3.320 1.00 63.12 O ATOM 155 CB TYR A 11 4.881 -11.404 0.581 1.00 74.43 C ATOM 156 CG TYR A 11 4.185 -10.969 -0.689 1.00 43.32 C ATOM 157 CD1 TYR A 11 2.812 -11.058 -0.836 1.00 35.52 C ATOM 158 CD2 TYR A 11 4.924 -10.474 -1.755 1.00 65.14 C ATOM 159 CE1 TYR A 11 2.196 -10.664 -2.009 1.00 1.10 C ATOM 160 CE2 TYR A 11 4.322 -10.084 -2.927 1.00 40.52 C ATOM 161 CZ TYR A 11 2.960 -10.178 -3.051 1.00 53.15 C ATOM 162 OH TYR A 11 2.358 -9.793 -4.225 1.00 63.31 O ATOM 0 H TYR A 11 6.297 -11.670 2.603 1.00 25.21 H new ATOM 0 HA TYR A 11 5.254 -9.369 1.138 1.00 74.32 H new ATOM 0 HB2 TYR A 11 5.870 -11.784 0.323 1.00 74.43 H new ATOM 0 HB3 TYR A 11 4.324 -12.234 1.016 1.00 74.43 H new ATOM 0 HD1 TYR A 11 2.213 -11.441 -0.023 1.00 35.52 H new ATOM 0 HD2 TYR A 11 5.997 -10.394 -1.661 1.00 65.14 H new ATOM 0 HE1 TYR A 11 1.123 -10.736 -2.110 1.00 1.10 H new ATOM 0 HE2 TYR A 11 4.918 -9.706 -3.745 1.00 40.52 H new ATOM 0 HH TYR A 11 1.467 -9.433 -4.033 1.00 63.31 H new ATOM 172 N TYR A 12 3.040 -9.084 2.228 1.00 60.53 N ATOM 173 CA TYR A 12 1.868 -8.765 3.019 1.00 54.43 C ATOM 174 C TYR A 12 0.627 -8.697 2.116 1.00 62.10 C ATOM 175 O TYR A 12 0.645 -8.033 1.079 1.00 62.03 O ATOM 176 CB TYR A 12 2.118 -7.423 3.737 1.00 2.23 C ATOM 177 CG TYR A 12 1.079 -7.007 4.759 1.00 62.53 C ATOM 178 CD1 TYR A 12 -0.075 -6.339 4.378 1.00 25.12 C ATOM 179 CD2 TYR A 12 1.271 -7.265 6.111 1.00 61.44 C ATOM 180 CE1 TYR A 12 -1.004 -5.946 5.310 1.00 74.34 C ATOM 181 CE2 TYR A 12 0.341 -6.867 7.051 1.00 60.41 C ATOM 182 CZ TYR A 12 -0.795 -6.210 6.643 1.00 50.50 C ATOM 183 OH TYR A 12 -1.726 -5.805 7.571 1.00 2.21 O ATOM 0 H TYR A 12 3.244 -8.413 1.487 1.00 60.53 H new ATOM 0 HA TYR A 12 1.686 -9.539 3.764 1.00 54.43 H new ATOM 0 HB2 TYR A 12 3.086 -7.476 4.235 1.00 2.23 H new ATOM 0 HB3 TYR A 12 2.190 -6.639 2.983 1.00 2.23 H new ATOM 0 HD1 TYR A 12 -0.246 -6.125 3.333 1.00 25.12 H new ATOM 0 HD2 TYR A 12 2.162 -7.785 6.432 1.00 61.44 H new ATOM 0 HE1 TYR A 12 -1.899 -5.429 4.996 1.00 74.34 H new ATOM 0 HE2 TYR A 12 0.505 -7.071 8.099 1.00 60.41 H new ATOM 0 HH TYR A 12 -1.430 -6.069 8.467 1.00 2.21 H new ATOM 193 N ILE A 13 -0.423 -9.397 2.489 1.00 15.13 N ATOM 194 CA ILE A 13 -1.671 -9.398 1.726 1.00 41.12 C ATOM 195 C ILE A 13 -2.829 -9.066 2.670 1.00 60.20 C ATOM 196 O ILE A 13 -2.851 -9.563 3.794 1.00 14.40 O ATOM 197 CB ILE A 13 -1.940 -10.794 1.080 1.00 72.42 C ATOM 198 CG1 ILE A 13 -0.727 -11.257 0.260 1.00 3.34 C ATOM 199 CG2 ILE A 13 -3.184 -10.735 0.186 1.00 3.32 C ATOM 200 CD1 ILE A 13 -0.848 -12.664 -0.292 1.00 31.31 C ATOM 0 H ILE A 13 -0.445 -9.982 3.325 1.00 15.13 H new ATOM 0 HA ILE A 13 -1.588 -8.656 0.931 1.00 41.12 H new ATOM 0 HB ILE A 13 -2.112 -11.513 1.881 1.00 72.42 H new ATOM 0 HG12 ILE A 13 -0.578 -10.565 -0.569 1.00 3.34 H new ATOM 0 HG13 ILE A 13 0.163 -11.200 0.886 1.00 3.34 H new ATOM 0 HG21 ILE A 13 -3.360 -11.715 -0.258 1.00 3.32 H new ATOM 0 HG22 ILE A 13 -4.049 -10.447 0.784 1.00 3.32 H new ATOM 0 HG23 ILE A 13 -3.029 -10.001 -0.605 1.00 3.32 H new ATOM 0 HD11 ILE A 13 0.050 -12.911 -0.858 1.00 31.31 H new ATOM 0 HD12 ILE A 13 -0.964 -13.369 0.531 1.00 31.31 H new ATOM 0 HD13 ILE A 13 -1.717 -12.724 -0.947 1.00 31.31 H new ATOM 212 N THR A 14 -3.755 -8.215 2.239 1.00 22.34 N ATOM 213 CA THR A 14 -4.907 -7.878 3.054 1.00 61.04 C ATOM 214 C THR A 14 -6.045 -7.333 2.159 1.00 33.15 C ATOM 215 O THR A 14 -5.828 -7.017 0.980 1.00 32.43 O ATOM 216 CB THR A 14 -4.526 -6.848 4.172 1.00 1.31 C ATOM 217 OG1 THR A 14 -5.613 -6.662 5.110 1.00 64.14 O ATOM 218 CG2 THR A 14 -4.147 -5.499 3.573 1.00 54.10 C ATOM 0 H THR A 14 -3.726 -7.750 1.332 1.00 22.34 H new ATOM 0 HA THR A 14 -5.258 -8.783 3.551 1.00 61.04 H new ATOM 0 HB THR A 14 -3.666 -7.259 4.701 1.00 1.31 H new ATOM 0 HG1 THR A 14 -5.346 -6.016 5.797 1.00 64.14 H new ATOM 0 HG21 THR A 14 -3.888 -4.806 4.373 1.00 54.10 H new ATOM 0 HG22 THR A 14 -3.292 -5.623 2.909 1.00 54.10 H new ATOM 0 HG23 THR A 14 -4.990 -5.102 3.008 1.00 54.10 H new ATOM 226 N THR A 15 -7.242 -7.264 2.700 1.00 14.04 N ATOM 227 CA THR A 15 -8.380 -6.747 1.977 1.00 42.11 C ATOM 228 C THR A 15 -8.981 -5.566 2.748 1.00 33.45 C ATOM 229 O THR A 15 -9.195 -5.642 3.974 1.00 21.24 O ATOM 230 CB THR A 15 -9.449 -7.842 1.763 1.00 40.41 C ATOM 231 OG1 THR A 15 -8.810 -9.022 1.261 1.00 23.13 O ATOM 232 CG2 THR A 15 -10.508 -7.391 0.761 1.00 3.43 C ATOM 0 H THR A 15 -7.452 -7.565 3.652 1.00 14.04 H new ATOM 0 HA THR A 15 -8.045 -6.411 0.996 1.00 42.11 H new ATOM 0 HB THR A 15 -9.937 -8.040 2.717 1.00 40.41 H new ATOM 0 HG1 THR A 15 -9.215 -9.814 1.673 1.00 23.13 H new ATOM 0 HG21 THR A 15 -11.246 -8.182 0.631 1.00 3.43 H new ATOM 0 HG22 THR A 15 -11.001 -6.492 1.132 1.00 3.43 H new ATOM 0 HG23 THR A 15 -10.034 -7.176 -0.197 1.00 3.43 H new ATOM 240 N LEU A 16 -9.226 -4.492 2.060 1.00 73.33 N ATOM 241 CA LEU A 16 -9.804 -3.318 2.644 1.00 75.21 C ATOM 242 C LEU A 16 -11.229 -3.171 2.171 1.00 71.04 C ATOM 243 O LEU A 16 -11.496 -3.192 0.976 1.00 31.42 O ATOM 244 CB LEU A 16 -8.987 -2.043 2.313 1.00 0.25 C ATOM 245 CG LEU A 16 -7.663 -1.807 3.088 1.00 52.45 C ATOM 246 CD1 LEU A 16 -7.903 -1.779 4.583 1.00 33.41 C ATOM 247 CD2 LEU A 16 -6.591 -2.826 2.734 1.00 4.42 C ATOM 0 H LEU A 16 -9.028 -4.405 1.063 1.00 73.33 H new ATOM 0 HA LEU A 16 -9.788 -3.435 3.728 1.00 75.21 H new ATOM 0 HB2 LEU A 16 -8.752 -2.063 1.249 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -9.631 -1.180 2.481 1.00 0.25 H new ATOM 0 HG LEU A 16 -7.291 -0.831 2.778 1.00 52.45 H new ATOM 0 HD11 LEU A 16 -6.958 -1.612 5.100 1.00 33.41 H new ATOM 0 HD12 LEU A 16 -8.596 -0.974 4.825 1.00 33.41 H new ATOM 0 HD13 LEU A 16 -8.328 -2.731 4.901 1.00 33.41 H new ATOM 0 HD21 LEU A 16 -5.686 -2.615 3.304 1.00 4.42 H new ATOM 0 HD22 LEU A 16 -6.947 -3.827 2.976 1.00 4.42 H new ATOM 0 HD23 LEU A 16 -6.371 -2.767 1.668 1.00 4.42 H new ATOM 259 N ASN A 17 -12.135 -3.022 3.105 1.00 75.20 N ATOM 260 CA ASN A 17 -13.567 -2.869 2.807 1.00 12.25 C ATOM 261 C ASN A 17 -13.858 -1.407 2.548 1.00 50.23 C ATOM 262 O ASN A 17 -14.697 -0.799 3.208 1.00 1.22 O ATOM 263 CB ASN A 17 -14.420 -3.351 3.999 1.00 74.21 C ATOM 264 CG ASN A 17 -14.298 -4.832 4.288 1.00 13.00 C ATOM 265 OD1 ASN A 17 -13.398 -5.261 5.048 1.00 0.33 O ATOM 266 ND2 ASN A 17 -15.198 -5.607 3.723 1.00 42.11 N ATOM 0 H ASN A 17 -11.916 -3.001 4.101 1.00 75.20 H new ATOM 0 HA ASN A 17 -13.816 -3.468 1.931 1.00 12.25 H new ATOM 0 HB2 ASN A 17 -14.129 -2.793 4.889 1.00 74.21 H new ATOM 0 HB3 ASN A 17 -15.466 -3.115 3.802 1.00 74.21 H new ATOM 0 HD21 ASN A 17 -15.186 -6.612 3.895 1.00 42.11 H new ATOM 0 HD22 ASN A 17 -15.908 -5.203 3.113 1.00 42.11 H new ATOM 273 N TYR A 18 -13.134 -0.843 1.611 1.00 40.21 N ATOM 274 CA TYR A 18 -13.223 0.564 1.303 1.00 65.41 C ATOM 275 C TYR A 18 -13.058 0.753 -0.191 1.00 41.44 C ATOM 276 O TYR A 18 -12.467 -0.103 -0.867 1.00 72.31 O ATOM 277 CB TYR A 18 -12.156 1.379 2.083 1.00 31.33 C ATOM 278 CG TYR A 18 -12.269 1.260 3.603 1.00 35.55 C ATOM 279 CD1 TYR A 18 -13.278 1.915 4.300 1.00 34.11 C ATOM 280 CD2 TYR A 18 -11.393 0.459 4.328 1.00 3.00 C ATOM 281 CE1 TYR A 18 -13.404 1.782 5.671 1.00 32.12 C ATOM 282 CE2 TYR A 18 -11.518 0.315 5.697 1.00 15.03 C ATOM 283 CZ TYR A 18 -12.523 0.979 6.364 1.00 63.11 C ATOM 284 OH TYR A 18 -12.663 0.826 7.736 1.00 25.10 O ATOM 0 H TYR A 18 -12.462 -1.351 1.037 1.00 40.21 H new ATOM 0 HA TYR A 18 -14.201 0.935 1.611 1.00 65.41 H new ATOM 0 HB2 TYR A 18 -11.164 1.047 1.776 1.00 31.33 H new ATOM 0 HB3 TYR A 18 -12.241 2.429 1.804 1.00 31.33 H new ATOM 0 HD1 TYR A 18 -13.976 2.539 3.761 1.00 34.11 H new ATOM 0 HD2 TYR A 18 -10.600 -0.061 3.811 1.00 3.00 H new ATOM 0 HE1 TYR A 18 -14.189 2.305 6.197 1.00 32.12 H new ATOM 0 HE2 TYR A 18 -10.830 -0.316 6.241 1.00 15.03 H new ATOM 0 HH TYR A 18 -12.650 -0.128 7.962 1.00 25.10 H new ATOM 294 N ASN A 19 -13.551 1.871 -0.689 1.00 25.33 N ATOM 295 CA ASN A 19 -13.567 2.166 -2.122 1.00 45.41 C ATOM 296 C ASN A 19 -12.164 2.365 -2.686 1.00 53.12 C ATOM 297 O ASN A 19 -11.320 3.001 -2.057 1.00 11.12 O ATOM 298 CB ASN A 19 -14.447 3.388 -2.434 1.00 62.53 C ATOM 299 CG ASN A 19 -14.506 3.709 -3.928 1.00 65.03 C ATOM 300 OD1 ASN A 19 -13.662 4.435 -4.456 1.00 73.31 O ATOM 301 ND2 ASN A 19 -15.496 3.190 -4.617 1.00 64.33 N ATOM 0 H ASN A 19 -13.956 2.609 -0.113 1.00 25.33 H new ATOM 0 HA ASN A 19 -13.999 1.294 -2.612 1.00 45.41 H new ATOM 0 HB2 ASN A 19 -15.457 3.207 -2.066 1.00 62.53 H new ATOM 0 HB3 ASN A 19 -14.062 4.254 -1.896 1.00 62.53 H new ATOM 0 HD21 ASN A 19 -15.580 3.385 -5.615 1.00 64.33 H new ATOM 0 HD22 ASN A 19 -16.181 2.592 -4.154 1.00 64.33 H new ATOM 308 N PHE A 20 -11.927 1.783 -3.853 1.00 62.14 N ATOM 309 CA PHE A 20 -10.643 1.842 -4.546 1.00 14.13 C ATOM 310 C PHE A 20 -10.065 3.269 -4.715 1.00 40.14 C ATOM 311 O PHE A 20 -8.877 3.471 -4.499 1.00 71.12 O ATOM 312 CB PHE A 20 -10.750 1.119 -5.891 1.00 15.14 C ATOM 313 CG PHE A 20 -9.548 1.259 -6.786 1.00 55.53 C ATOM 314 CD1 PHE A 20 -8.381 0.568 -6.518 1.00 51.02 C ATOM 315 CD2 PHE A 20 -9.593 2.089 -7.896 1.00 51.11 C ATOM 316 CE1 PHE A 20 -7.283 0.701 -7.336 1.00 61.32 C ATOM 317 CE2 PHE A 20 -8.497 2.225 -8.718 1.00 62.33 C ATOM 318 CZ PHE A 20 -7.342 1.530 -8.438 1.00 43.53 C ATOM 0 H PHE A 20 -12.633 1.246 -4.356 1.00 62.14 H new ATOM 0 HA PHE A 20 -9.924 1.332 -3.905 1.00 14.13 H new ATOM 0 HB2 PHE A 20 -10.923 0.059 -5.704 1.00 15.14 H new ATOM 0 HB3 PHE A 20 -11.625 1.496 -6.421 1.00 15.14 H new ATOM 0 HD1 PHE A 20 -8.331 -0.083 -5.658 1.00 51.02 H new ATOM 0 HD2 PHE A 20 -10.498 2.635 -8.118 1.00 51.11 H new ATOM 0 HE1 PHE A 20 -6.376 0.157 -7.116 1.00 61.32 H new ATOM 0 HE2 PHE A 20 -8.543 2.875 -9.580 1.00 62.33 H new ATOM 0 HZ PHE A 20 -6.481 1.634 -9.082 1.00 43.53 H new ATOM 328 N ASN A 21 -10.892 4.251 -5.068 1.00 21.40 N ATOM 329 CA ASN A 21 -10.377 5.620 -5.306 1.00 42.22 C ATOM 330 C ASN A 21 -9.945 6.200 -3.991 1.00 44.11 C ATOM 331 O ASN A 21 -8.899 6.829 -3.851 1.00 42.41 O ATOM 332 CB ASN A 21 -11.438 6.522 -5.967 1.00 34.41 C ATOM 333 CG ASN A 21 -10.952 7.960 -6.179 1.00 31.30 C ATOM 334 OD1 ASN A 21 -11.229 8.834 -5.236 1.00 62.03 O flip ATOM 335 ND2 ASN A 21 -10.355 8.280 -7.192 1.00 61.31 N flip ATOM 0 H ASN A 21 -11.898 4.142 -5.196 1.00 21.40 H new ATOM 0 HA ASN A 21 -9.532 5.566 -5.993 1.00 42.22 H new ATOM 0 HB2 ASN A 21 -11.722 6.095 -6.929 1.00 34.41 H new ATOM 0 HB3 ASN A 21 -12.334 6.535 -5.346 1.00 34.41 H new ATOM 0 HD21 ASN A 21 -10.153 7.581 -7.907 1.00 61.31 H new ATOM 0 HD22 ASN A 21 -10.057 9.246 -7.325 1.00 61.31 H new ATOM 342 N THR A 22 -10.745 5.893 -3.034 1.00 3.52 N ATOM 343 CA THR A 22 -10.627 6.306 -1.695 1.00 42.40 C ATOM 344 C THR A 22 -9.319 5.754 -1.059 1.00 32.01 C ATOM 345 O THR A 22 -8.533 6.512 -0.473 1.00 52.02 O ATOM 346 CB THR A 22 -11.864 5.741 -1.017 1.00 61.13 C ATOM 347 OG1 THR A 22 -13.028 6.206 -1.715 1.00 42.45 O ATOM 348 CG2 THR A 22 -11.967 6.115 0.401 1.00 22.10 C ATOM 0 H THR A 22 -11.561 5.300 -3.186 1.00 3.52 H new ATOM 0 HA THR A 22 -10.566 7.389 -1.592 1.00 42.40 H new ATOM 0 HB THR A 22 -11.787 4.654 -1.053 1.00 61.13 H new ATOM 0 HG1 THR A 22 -13.778 6.278 -1.089 1.00 42.45 H new ATOM 0 HG21 THR A 22 -12.871 5.681 0.827 1.00 22.10 H new ATOM 0 HG22 THR A 22 -11.096 5.742 0.940 1.00 22.10 H new ATOM 0 HG23 THR A 22 -12.010 7.201 0.489 1.00 22.10 H new ATOM 356 N VAL A 23 -9.081 4.458 -1.210 1.00 11.34 N ATOM 357 CA VAL A 23 -7.868 3.839 -0.689 1.00 22.44 C ATOM 358 C VAL A 23 -6.634 4.330 -1.471 1.00 51.20 C ATOM 359 O VAL A 23 -5.559 4.521 -0.894 1.00 43.51 O ATOM 360 CB VAL A 23 -7.966 2.274 -0.644 1.00 42.01 C ATOM 361 CG1 VAL A 23 -8.153 1.682 -2.004 1.00 61.42 C ATOM 362 CG2 VAL A 23 -6.767 1.645 0.038 1.00 52.32 C ATOM 0 H VAL A 23 -9.711 3.815 -1.689 1.00 11.34 H new ATOM 0 HA VAL A 23 -7.752 4.155 0.348 1.00 22.44 H new ATOM 0 HB VAL A 23 -8.851 2.047 -0.050 1.00 42.01 H new ATOM 0 HG11 VAL A 23 -8.216 0.597 -1.923 1.00 61.42 H new ATOM 0 HG12 VAL A 23 -9.073 2.067 -2.445 1.00 61.42 H new ATOM 0 HG13 VAL A 23 -7.307 1.950 -2.637 1.00 61.42 H new ATOM 0 HG21 VAL A 23 -6.880 0.561 0.045 1.00 52.32 H new ATOM 0 HG22 VAL A 23 -5.859 1.912 -0.503 1.00 52.32 H new ATOM 0 HG23 VAL A 23 -6.699 2.009 1.063 1.00 52.32 H new ATOM 372 N TYR A 24 -6.816 4.562 -2.775 1.00 70.01 N ATOM 373 CA TYR A 24 -5.767 5.096 -3.643 1.00 35.33 C ATOM 374 C TYR A 24 -5.257 6.431 -3.109 1.00 54.50 C ATOM 375 O TYR A 24 -4.047 6.666 -3.045 1.00 30.51 O ATOM 376 CB TYR A 24 -6.298 5.245 -5.093 1.00 0.25 C ATOM 377 CG TYR A 24 -5.361 5.939 -6.078 1.00 20.43 C ATOM 378 CD1 TYR A 24 -4.291 5.269 -6.654 1.00 21.54 C ATOM 379 CD2 TYR A 24 -5.561 7.270 -6.431 1.00 53.10 C ATOM 380 CE1 TYR A 24 -3.445 5.899 -7.548 1.00 0.53 C ATOM 381 CE2 TYR A 24 -4.722 7.907 -7.324 1.00 74.05 C ATOM 382 CZ TYR A 24 -3.666 7.217 -7.881 1.00 42.23 C ATOM 383 OH TYR A 24 -2.824 7.856 -8.771 1.00 1.24 O ATOM 0 H TYR A 24 -7.697 4.384 -3.257 1.00 70.01 H new ATOM 0 HA TYR A 24 -4.931 4.397 -3.653 1.00 35.33 H new ATOM 0 HB2 TYR A 24 -6.528 4.252 -5.479 1.00 0.25 H new ATOM 0 HB3 TYR A 24 -7.236 5.800 -5.061 1.00 0.25 H new ATOM 0 HD1 TYR A 24 -4.115 4.234 -6.399 1.00 21.54 H new ATOM 0 HD2 TYR A 24 -6.387 7.815 -5.999 1.00 53.10 H new ATOM 0 HE1 TYR A 24 -2.616 5.361 -7.983 1.00 0.53 H new ATOM 0 HE2 TYR A 24 -4.892 8.941 -7.585 1.00 74.05 H new ATOM 0 HH TYR A 24 -3.122 8.781 -8.896 1.00 1.24 H new ATOM 393 N ASN A 25 -6.185 7.288 -2.705 1.00 62.33 N ATOM 394 CA ASN A 25 -5.847 8.588 -2.175 1.00 44.10 C ATOM 395 C ASN A 25 -5.085 8.452 -0.865 1.00 42.41 C ATOM 396 O ASN A 25 -3.995 9.015 -0.716 1.00 31.12 O ATOM 397 CB ASN A 25 -7.110 9.438 -1.940 1.00 71.31 C ATOM 398 CG ASN A 25 -7.919 9.770 -3.199 1.00 5.42 C ATOM 399 OD1 ASN A 25 -7.267 9.890 -4.336 1.00 64.32 O flip ATOM 400 ND2 ASN A 25 -9.132 9.933 -3.136 1.00 40.52 N flip ATOM 0 H ASN A 25 -7.186 7.097 -2.738 1.00 62.33 H new ATOM 0 HA ASN A 25 -5.217 9.087 -2.911 1.00 44.10 H new ATOM 0 HB2 ASN A 25 -7.758 8.910 -1.240 1.00 71.31 H new ATOM 0 HB3 ASN A 25 -6.816 10.372 -1.460 1.00 71.31 H new ATOM 0 HD21 ASN A 25 -9.614 9.834 -2.243 1.00 40.52 H new ATOM 0 HD22 ASN A 25 -9.659 10.167 -3.977 1.00 40.52 H new ATOM 407 N ALA A 26 -5.628 7.650 0.042 1.00 3.13 N ATOM 408 CA ALA A 26 -5.067 7.481 1.383 1.00 24.42 C ATOM 409 C ALA A 26 -3.657 6.881 1.354 1.00 14.12 C ATOM 410 O ALA A 26 -2.754 7.399 1.998 1.00 12.41 O ATOM 411 CB ALA A 26 -5.996 6.632 2.234 1.00 31.33 C ATOM 0 H ALA A 26 -6.469 7.098 -0.128 1.00 3.13 H new ATOM 0 HA ALA A 26 -4.978 8.472 1.828 1.00 24.42 H new ATOM 0 HB1 ALA A 26 -5.569 6.512 3.230 1.00 31.33 H new ATOM 0 HB2 ALA A 26 -6.967 7.121 2.312 1.00 31.33 H new ATOM 0 HB3 ALA A 26 -6.119 5.653 1.772 1.00 31.33 H new ATOM 417 N THR A 27 -3.474 5.831 0.574 1.00 30.24 N ATOM 418 CA THR A 27 -2.184 5.157 0.435 1.00 51.10 C ATOM 419 C THR A 27 -1.129 6.123 -0.125 1.00 65.42 C ATOM 420 O THR A 27 -0.015 6.234 0.413 1.00 11.21 O ATOM 421 CB THR A 27 -2.322 3.942 -0.516 1.00 55.24 C ATOM 422 OG1 THR A 27 -3.385 3.102 -0.054 1.00 20.03 O ATOM 423 CG2 THR A 27 -1.029 3.131 -0.578 1.00 71.12 C ATOM 0 H THR A 27 -4.217 5.415 0.013 1.00 30.24 H new ATOM 0 HA THR A 27 -1.867 4.816 1.420 1.00 51.10 H new ATOM 0 HB THR A 27 -2.538 4.315 -1.517 1.00 55.24 H new ATOM 0 HG1 THR A 27 -4.242 3.452 -0.375 1.00 20.03 H new ATOM 0 HG21 THR A 27 -1.161 2.286 -1.254 1.00 71.12 H new ATOM 0 HG22 THR A 27 -0.220 3.764 -0.942 1.00 71.12 H new ATOM 0 HG23 THR A 27 -0.782 2.763 0.418 1.00 71.12 H new ATOM 431 N LEU A 28 -1.509 6.849 -1.166 1.00 23.01 N ATOM 432 CA LEU A 28 -0.633 7.801 -1.811 1.00 72.42 C ATOM 433 C LEU A 28 -0.210 8.906 -0.833 1.00 51.41 C ATOM 434 O LEU A 28 0.972 9.226 -0.723 1.00 40.32 O ATOM 435 CB LEU A 28 -1.333 8.379 -3.052 1.00 35.22 C ATOM 436 CG LEU A 28 -0.640 9.527 -3.789 1.00 12.51 C ATOM 437 CD1 LEU A 28 0.676 9.077 -4.398 1.00 43.21 C ATOM 438 CD2 LEU A 28 -1.557 10.102 -4.855 1.00 64.44 C ATOM 0 H LEU A 28 -2.437 6.790 -1.584 1.00 23.01 H new ATOM 0 HA LEU A 28 0.277 7.294 -2.131 1.00 72.42 H new ATOM 0 HB2 LEU A 28 -1.482 7.566 -3.762 1.00 35.22 H new ATOM 0 HB3 LEU A 28 -2.322 8.723 -2.749 1.00 35.22 H new ATOM 0 HG LEU A 28 -0.418 10.309 -3.062 1.00 12.51 H new ATOM 0 HD11 LEU A 28 1.143 9.915 -4.914 1.00 43.21 H new ATOM 0 HD12 LEU A 28 1.339 8.721 -3.609 1.00 43.21 H new ATOM 0 HD13 LEU A 28 0.492 8.271 -5.108 1.00 43.21 H new ATOM 0 HD21 LEU A 28 -1.049 10.918 -5.370 1.00 64.44 H new ATOM 0 HD22 LEU A 28 -1.814 9.323 -5.573 1.00 64.44 H new ATOM 0 HD23 LEU A 28 -2.467 10.479 -4.388 1.00 64.44 H new ATOM 450 N GLN A 29 -1.169 9.458 -0.106 1.00 55.44 N ATOM 451 CA GLN A 29 -0.883 10.508 0.856 1.00 20.35 C ATOM 452 C GLN A 29 -0.085 9.990 2.044 1.00 24.32 C ATOM 453 O GLN A 29 0.793 10.681 2.545 1.00 14.43 O ATOM 454 CB GLN A 29 -2.172 11.153 1.328 1.00 64.44 C ATOM 455 CG GLN A 29 -2.944 11.833 0.218 1.00 52.15 C ATOM 456 CD GLN A 29 -2.218 13.023 -0.378 1.00 13.44 C ATOM 457 OE1 GLN A 29 -2.374 14.144 0.078 1.00 32.24 O ATOM 458 NE2 GLN A 29 -1.414 12.794 -1.385 1.00 11.10 N ATOM 0 H GLN A 29 -2.153 9.195 -0.165 1.00 55.44 H new ATOM 0 HA GLN A 29 -0.270 11.256 0.353 1.00 20.35 H new ATOM 0 HB2 GLN A 29 -2.804 10.392 1.787 1.00 64.44 H new ATOM 0 HB3 GLN A 29 -1.941 11.885 2.102 1.00 64.44 H new ATOM 0 HG2 GLN A 29 -3.147 11.108 -0.570 1.00 52.15 H new ATOM 0 HG3 GLN A 29 -3.909 12.162 0.605 1.00 52.15 H new ATOM 0 HE21 GLN A 29 -1.304 11.846 -1.745 1.00 11.10 H new ATOM 0 HE22 GLN A 29 -0.897 13.564 -1.810 1.00 11.10 H new ATOM 467 N ALA A 30 -0.362 8.760 2.459 1.00 20.35 N ATOM 468 CA ALA A 30 0.297 8.158 3.612 1.00 24.25 C ATOM 469 C ALA A 30 1.799 8.121 3.444 1.00 32.03 C ATOM 470 O ALA A 30 2.541 8.524 4.344 1.00 62.33 O ATOM 471 CB ALA A 30 -0.232 6.751 3.870 1.00 31.50 C ATOM 0 H ALA A 30 -1.047 8.154 2.008 1.00 20.35 H new ATOM 0 HA ALA A 30 0.068 8.786 4.473 1.00 24.25 H new ATOM 0 HB1 ALA A 30 0.276 6.324 4.735 1.00 31.50 H new ATOM 0 HB2 ALA A 30 -1.304 6.795 4.064 1.00 31.50 H new ATOM 0 HB3 ALA A 30 -0.047 6.127 2.996 1.00 31.50 H new ATOM 477 N ILE A 31 2.240 7.684 2.295 1.00 13.41 N ATOM 478 CA ILE A 31 3.649 7.556 2.065 1.00 13.34 C ATOM 479 C ILE A 31 4.283 8.880 1.582 1.00 74.42 C ATOM 480 O ILE A 31 5.279 9.315 2.139 1.00 0.44 O ATOM 481 CB ILE A 31 3.970 6.350 1.118 1.00 43.23 C ATOM 482 CG1 ILE A 31 5.484 6.153 0.945 1.00 42.23 C ATOM 483 CG2 ILE A 31 3.273 6.490 -0.237 1.00 14.22 C ATOM 484 CD1 ILE A 31 5.852 4.896 0.180 1.00 34.51 C ATOM 0 H ILE A 31 1.647 7.413 1.510 1.00 13.41 H new ATOM 0 HA ILE A 31 4.115 7.333 3.024 1.00 13.34 H new ATOM 0 HB ILE A 31 3.574 5.455 1.598 1.00 43.23 H new ATOM 0 HG12 ILE A 31 5.897 7.018 0.426 1.00 42.23 H new ATOM 0 HG13 ILE A 31 5.952 6.119 1.929 1.00 42.23 H new ATOM 0 HG21 ILE A 31 3.521 5.634 -0.864 1.00 14.22 H new ATOM 0 HG22 ILE A 31 2.194 6.530 -0.089 1.00 14.22 H new ATOM 0 HG23 ILE A 31 3.607 7.406 -0.725 1.00 14.22 H new ATOM 0 HD11 ILE A 31 6.937 4.825 0.098 1.00 34.51 H new ATOM 0 HD12 ILE A 31 5.470 4.023 0.709 1.00 34.51 H new ATOM 0 HD13 ILE A 31 5.414 4.936 -0.817 1.00 34.51 H new ATOM 496 N GLN A 32 3.633 9.569 0.639 1.00 2.45 N ATOM 497 CA GLN A 32 4.215 10.784 0.048 1.00 72.44 C ATOM 498 C GLN A 32 4.206 11.987 0.977 1.00 73.13 C ATOM 499 O GLN A 32 5.125 12.795 0.942 1.00 22.24 O ATOM 500 CB GLN A 32 3.561 11.143 -1.288 1.00 2.10 C ATOM 501 CG GLN A 32 3.848 10.162 -2.414 1.00 34.33 C ATOM 502 CD GLN A 32 5.332 10.033 -2.717 1.00 3.33 C ATOM 503 OE1 GLN A 32 6.020 9.193 -2.155 1.00 30.51 O ATOM 504 NE2 GLN A 32 5.822 10.860 -3.602 1.00 34.12 N ATOM 0 H GLN A 32 2.717 9.314 0.271 1.00 2.45 H new ATOM 0 HA GLN A 32 5.261 10.532 -0.128 1.00 72.44 H new ATOM 0 HB2 GLN A 32 2.482 11.207 -1.145 1.00 2.10 H new ATOM 0 HB3 GLN A 32 3.901 12.133 -1.590 1.00 2.10 H new ATOM 0 HG2 GLN A 32 3.450 9.183 -2.148 1.00 34.33 H new ATOM 0 HG3 GLN A 32 3.325 10.485 -3.314 1.00 34.33 H new ATOM 0 HE21 GLN A 32 5.215 11.547 -4.049 1.00 34.12 H new ATOM 0 HE22 GLN A 32 6.812 10.819 -3.846 1.00 34.12 H new ATOM 513 N ASN A 33 3.194 12.104 1.825 1.00 24.02 N ATOM 514 CA ASN A 33 3.121 13.267 2.724 1.00 61.45 C ATOM 515 C ASN A 33 3.966 13.054 3.963 1.00 73.42 C ATOM 516 O ASN A 33 4.031 13.916 4.831 1.00 73.11 O ATOM 517 CB ASN A 33 1.671 13.637 3.136 1.00 43.11 C ATOM 518 CG ASN A 33 0.786 14.100 1.998 1.00 32.11 C ATOM 519 OD1 ASN A 33 1.253 14.596 0.979 1.00 72.15 O ATOM 520 ND2 ASN A 33 -0.504 13.986 2.192 1.00 1.51 N ATOM 0 H ASN A 33 2.429 11.435 1.916 1.00 24.02 H new ATOM 0 HA ASN A 33 3.517 14.106 2.152 1.00 61.45 H new ATOM 0 HB2 ASN A 33 1.209 12.769 3.607 1.00 43.11 H new ATOM 0 HB3 ASN A 33 1.712 14.424 3.889 1.00 43.11 H new ATOM 0 HD21 ASN A 33 -1.158 14.316 1.482 1.00 1.51 H new ATOM 0 HD22 ASN A 33 -0.855 13.567 3.053 1.00 1.51 H new ATOM 527 N GLY A 34 4.622 11.899 4.032 1.00 25.34 N ATOM 528 CA GLY A 34 5.461 11.587 5.162 1.00 31.33 C ATOM 529 C GLY A 34 4.654 11.352 6.412 1.00 12.52 C ATOM 530 O GLY A 34 5.029 11.782 7.494 1.00 72.04 O ATOM 0 H GLY A 34 4.583 11.173 3.317 1.00 25.34 H new ATOM 0 HA2 GLY A 34 6.054 10.700 4.940 1.00 31.33 H new ATOM 0 HA3 GLY A 34 6.162 12.405 5.331 1.00 31.33 H new ATOM 534 N GLN A 35 3.546 10.637 6.267 1.00 23.03 N ATOM 535 CA GLN A 35 2.665 10.363 7.398 1.00 1.42 C ATOM 536 C GLN A 35 3.152 9.111 8.124 1.00 53.31 C ATOM 537 O GLN A 35 2.554 8.649 9.092 1.00 52.12 O ATOM 538 CB GLN A 35 1.208 10.208 6.936 1.00 72.33 C ATOM 539 CG GLN A 35 0.731 11.356 6.045 1.00 23.20 C ATOM 540 CD GLN A 35 -0.751 11.302 5.682 1.00 35.11 C ATOM 541 OE1 GLN A 35 -1.334 10.128 5.681 1.00 61.43 O flip ATOM 542 NE2 GLN A 35 -1.372 12.325 5.438 1.00 73.30 N flip ATOM 0 H GLN A 35 3.236 10.237 5.382 1.00 23.03 H new ATOM 0 HA GLN A 35 2.695 11.206 8.088 1.00 1.42 H new ATOM 0 HB2 GLN A 35 1.104 9.269 6.393 1.00 72.33 H new ATOM 0 HB3 GLN A 35 0.561 10.144 7.811 1.00 72.33 H new ATOM 0 HG2 GLN A 35 0.934 12.300 6.551 1.00 23.20 H new ATOM 0 HG3 GLN A 35 1.317 11.354 5.126 1.00 23.20 H new ATOM 0 HE21 GLN A 35 -0.894 13.226 5.445 1.00 73.30 H new ATOM 0 HE22 GLN A 35 -2.369 12.278 5.227 1.00 73.30 H new ATOM 551 N THR A 36 4.222 8.569 7.614 1.00 50.43 N ATOM 552 CA THR A 36 4.878 7.439 8.152 1.00 13.11 C ATOM 553 C THR A 36 6.348 7.564 7.748 1.00 24.11 C ATOM 554 O THR A 36 6.652 8.128 6.683 1.00 23.14 O ATOM 555 CB THR A 36 4.240 6.105 7.623 1.00 15.24 C ATOM 556 OG1 THR A 36 4.840 4.968 8.252 1.00 42.54 O ATOM 557 CG2 THR A 36 4.357 5.970 6.101 1.00 45.41 C ATOM 0 H THR A 36 4.672 8.930 6.772 1.00 50.43 H new ATOM 0 HA THR A 36 4.778 7.404 9.237 1.00 13.11 H new ATOM 0 HB THR A 36 3.181 6.144 7.878 1.00 15.24 H new ATOM 0 HG1 THR A 36 4.427 4.148 7.909 1.00 42.54 H new ATOM 0 HG21 THR A 36 3.902 5.032 5.783 1.00 45.41 H new ATOM 0 HG22 THR A 36 3.844 6.803 5.621 1.00 45.41 H new ATOM 0 HG23 THR A 36 5.409 5.978 5.815 1.00 45.41 H new ATOM 565 N PHE A 37 7.244 7.131 8.597 1.00 34.24 N ATOM 566 CA PHE A 37 8.653 7.221 8.313 1.00 64.33 C ATOM 567 C PHE A 37 9.280 5.861 8.435 1.00 24.34 C ATOM 568 O PHE A 37 8.733 4.975 9.095 1.00 35.11 O ATOM 569 CB PHE A 37 9.377 8.246 9.225 1.00 23.23 C ATOM 570 CG PHE A 37 9.325 7.939 10.708 1.00 21.03 C ATOM 571 CD1 PHE A 37 8.240 8.333 11.478 1.00 21.50 C ATOM 572 CD2 PHE A 37 10.368 7.260 11.328 1.00 63.25 C ATOM 573 CE1 PHE A 37 8.195 8.054 12.831 1.00 51.34 C ATOM 574 CE2 PHE A 37 10.326 6.981 12.679 1.00 21.43 C ATOM 575 CZ PHE A 37 9.239 7.378 13.432 1.00 64.22 C ATOM 0 H PHE A 37 7.020 6.709 9.498 1.00 34.24 H new ATOM 0 HA PHE A 37 8.764 7.583 7.291 1.00 64.33 H new ATOM 0 HB2 PHE A 37 10.421 8.306 8.919 1.00 23.23 H new ATOM 0 HB3 PHE A 37 8.939 9.230 9.058 1.00 23.23 H new ATOM 0 HD1 PHE A 37 7.421 8.864 11.015 1.00 21.50 H new ATOM 0 HD2 PHE A 37 11.222 6.947 10.745 1.00 63.25 H new ATOM 0 HE1 PHE A 37 7.344 8.365 13.418 1.00 51.34 H new ATOM 0 HE2 PHE A 37 11.143 6.452 13.147 1.00 21.43 H new ATOM 0 HZ PHE A 37 9.205 7.160 14.489 1.00 64.22 H new ATOM 585 N ASP A 38 10.405 5.699 7.820 1.00 4.15 N ATOM 586 CA ASP A 38 11.116 4.451 7.854 1.00 22.41 C ATOM 587 C ASP A 38 12.278 4.514 8.849 1.00 62.44 C ATOM 588 O ASP A 38 12.790 5.595 9.135 1.00 65.21 O ATOM 589 CB ASP A 38 11.609 4.080 6.458 1.00 72.42 C ATOM 590 CG ASP A 38 12.498 2.886 6.498 1.00 44.44 C ATOM 591 OD1 ASP A 38 12.007 1.779 6.745 1.00 53.05 O ATOM 592 OD2 ASP A 38 13.696 3.053 6.364 1.00 74.24 O ATOM 0 H ASP A 38 10.864 6.429 7.275 1.00 4.15 H new ATOM 0 HA ASP A 38 10.431 3.673 8.191 1.00 22.41 H new ATOM 0 HB2 ASP A 38 10.756 3.879 5.810 1.00 72.42 H new ATOM 0 HB3 ASP A 38 12.147 4.923 6.024 1.00 72.42 H new ATOM 597 N TYR A 39 12.690 3.355 9.349 1.00 52.22 N ATOM 598 CA TYR A 39 13.749 3.237 10.344 1.00 0.12 C ATOM 599 C TYR A 39 15.134 3.599 9.784 1.00 72.02 C ATOM 600 O TYR A 39 16.006 4.028 10.529 1.00 52.13 O ATOM 601 CB TYR A 39 13.764 1.829 10.947 1.00 54.03 C ATOM 602 CG TYR A 39 12.468 1.454 11.637 1.00 32.35 C ATOM 603 CD1 TYR A 39 12.210 1.870 12.936 1.00 14.33 C ATOM 604 CD2 TYR A 39 11.504 0.686 10.990 1.00 42.23 C ATOM 605 CE1 TYR A 39 11.031 1.535 13.572 1.00 10.11 C ATOM 606 CE2 TYR A 39 10.322 0.347 11.619 1.00 32.15 C ATOM 607 CZ TYR A 39 10.090 0.775 12.910 1.00 53.43 C ATOM 608 OH TYR A 39 8.915 0.439 13.542 1.00 42.24 O ATOM 0 H TYR A 39 12.292 2.458 9.071 1.00 52.22 H new ATOM 0 HA TYR A 39 13.528 3.961 11.128 1.00 0.12 H new ATOM 0 HB2 TYR A 39 13.968 1.106 10.157 1.00 54.03 H new ATOM 0 HB3 TYR A 39 14.582 1.758 11.664 1.00 54.03 H new ATOM 0 HD1 TYR A 39 12.944 2.466 13.458 1.00 14.33 H new ATOM 0 HD2 TYR A 39 11.683 0.350 9.979 1.00 42.23 H new ATOM 0 HE1 TYR A 39 10.847 1.867 14.583 1.00 10.11 H new ATOM 0 HE2 TYR A 39 9.584 -0.249 11.103 1.00 32.15 H new ATOM 0 HH TYR A 39 8.360 -0.098 12.938 1.00 42.24 H new ATOM 618 N LYS A 40 15.337 3.423 8.481 1.00 13.32 N ATOM 619 CA LYS A 40 16.596 3.821 7.862 1.00 32.11 C ATOM 620 C LYS A 40 16.358 5.003 6.950 1.00 32.14 C ATOM 621 O LYS A 40 17.260 5.466 6.255 1.00 64.42 O ATOM 622 CB LYS A 40 17.293 2.644 7.115 1.00 72.03 C ATOM 623 CG LYS A 40 16.452 1.908 6.065 1.00 15.31 C ATOM 624 CD LYS A 40 17.246 0.773 5.430 1.00 32.43 C ATOM 625 CE LYS A 40 16.363 -0.203 4.642 1.00 31.41 C ATOM 626 NZ LYS A 40 15.859 0.318 3.354 1.00 11.22 N ATOM 0 H LYS A 40 14.656 3.013 7.842 1.00 13.32 H new ATOM 0 HA LYS A 40 17.285 4.117 8.653 1.00 32.11 H new ATOM 0 HB2 LYS A 40 18.187 3.032 6.626 1.00 72.03 H new ATOM 0 HB3 LYS A 40 17.625 1.918 7.857 1.00 72.03 H new ATOM 0 HG2 LYS A 40 15.550 1.510 6.530 1.00 15.31 H new ATOM 0 HG3 LYS A 40 16.131 2.609 5.294 1.00 15.31 H new ATOM 0 HD2 LYS A 40 18.000 1.192 4.764 1.00 32.43 H new ATOM 0 HD3 LYS A 40 17.777 0.227 6.210 1.00 32.43 H new ATOM 0 HE2 LYS A 40 16.932 -1.113 4.452 1.00 31.41 H new ATOM 0 HE3 LYS A 40 15.512 -0.483 5.263 1.00 31.41 H new ATOM 0 HZ1 LYS A 40 15.480 -0.467 2.787 1.00 11.22 H new ATOM 0 HZ2 LYS A 40 15.106 1.013 3.531 1.00 11.22 H new ATOM 0 HZ3 LYS A 40 16.637 0.775 2.836 1.00 11.22 H new ATOM 640 N SER A 41 15.114 5.490 7.001 1.00 3.14 N ATOM 641 CA SER A 41 14.644 6.646 6.271 1.00 40.12 C ATOM 642 C SER A 41 14.929 6.521 4.761 1.00 33.21 C ATOM 643 O SER A 41 15.146 7.533 4.070 1.00 30.43 O ATOM 644 CB SER A 41 15.253 7.934 6.885 1.00 63.43 C ATOM 645 OG SER A 41 14.765 9.106 6.251 1.00 13.45 O ATOM 0 H SER A 41 14.388 5.065 7.577 1.00 3.14 H new ATOM 0 HA SER A 41 13.560 6.707 6.366 1.00 40.12 H new ATOM 0 HB2 SER A 41 15.020 7.974 7.949 1.00 63.43 H new ATOM 0 HB3 SER A 41 16.339 7.899 6.797 1.00 63.43 H new ATOM 0 HG SER A 41 14.716 8.958 5.283 1.00 13.45 H new ATOM 651 N ASN A 42 14.855 5.292 4.235 1.00 64.23 N ATOM 652 CA ASN A 42 15.124 5.081 2.815 1.00 1.03 C ATOM 653 C ASN A 42 14.039 5.746 1.975 1.00 2.02 C ATOM 654 O ASN A 42 12.880 5.787 2.400 1.00 12.15 O ATOM 655 CB ASN A 42 15.266 3.582 2.433 1.00 60.11 C ATOM 656 CG ASN A 42 14.010 2.733 2.626 1.00 12.51 C ATOM 657 OD1 ASN A 42 13.817 2.159 3.673 1.00 43.34 O ATOM 658 ND2 ASN A 42 13.223 2.570 1.607 1.00 13.52 N ATOM 0 H ASN A 42 14.617 4.450 4.759 1.00 64.23 H new ATOM 0 HA ASN A 42 16.089 5.542 2.605 1.00 1.03 H new ATOM 0 HB2 ASN A 42 15.570 3.518 1.388 1.00 60.11 H new ATOM 0 HB3 ASN A 42 16.071 3.148 3.026 1.00 60.11 H new ATOM 0 HD21 ASN A 42 12.419 1.946 1.678 1.00 13.52 H new ATOM 0 HD22 ASN A 42 13.408 3.066 0.735 1.00 13.52 H new ATOM 665 N PRO A 43 14.428 6.351 0.811 1.00 44.33 N ATOM 666 CA PRO A 43 13.519 7.024 -0.117 1.00 74.04 C ATOM 667 C PRO A 43 12.155 6.353 -0.258 1.00 52.21 C ATOM 668 O PRO A 43 12.014 5.266 -0.825 1.00 1.43 O ATOM 669 CB PRO A 43 14.279 6.988 -1.426 1.00 45.04 C ATOM 670 CG PRO A 43 15.696 7.139 -1.012 1.00 31.22 C ATOM 671 CD PRO A 43 15.828 6.463 0.334 1.00 33.33 C ATOM 0 HA PRO A 43 13.270 8.026 0.233 1.00 74.04 H new ATOM 0 HB2 PRO A 43 14.115 6.052 -1.959 1.00 45.04 H new ATOM 0 HB3 PRO A 43 13.968 7.793 -2.092 1.00 45.04 H new ATOM 0 HG2 PRO A 43 16.364 6.682 -1.742 1.00 31.22 H new ATOM 0 HG3 PRO A 43 15.970 8.192 -0.945 1.00 31.22 H new ATOM 0 HD2 PRO A 43 16.300 5.485 0.246 1.00 33.33 H new ATOM 0 HD3 PRO A 43 16.438 7.051 1.019 1.00 33.33 H new ATOM 679 N TYR A 44 11.179 7.018 0.303 1.00 1.21 N ATOM 680 CA TYR A 44 9.794 6.598 0.310 1.00 3.13 C ATOM 681 C TYR A 44 9.091 7.084 -0.940 1.00 5.24 C ATOM 682 O TYR A 44 7.951 6.739 -1.197 1.00 71.41 O ATOM 683 CB TYR A 44 9.074 7.127 1.570 1.00 14.33 C ATOM 684 CG TYR A 44 9.061 8.650 1.716 1.00 2.21 C ATOM 685 CD1 TYR A 44 8.135 9.432 1.027 1.00 54.33 C ATOM 686 CD2 TYR A 44 9.972 9.299 2.540 1.00 70.11 C ATOM 687 CE1 TYR A 44 8.116 10.803 1.154 1.00 30.22 C ATOM 688 CE2 TYR A 44 9.955 10.676 2.674 1.00 21.43 C ATOM 689 CZ TYR A 44 9.025 11.420 1.978 1.00 53.55 C ATOM 690 OH TYR A 44 9.006 12.785 2.106 1.00 1.01 O ATOM 0 H TYR A 44 11.329 7.903 0.788 1.00 1.21 H new ATOM 0 HA TYR A 44 9.764 5.509 0.327 1.00 3.13 H new ATOM 0 HB2 TYR A 44 8.044 6.769 1.559 1.00 14.33 H new ATOM 0 HB3 TYR A 44 9.551 6.697 2.450 1.00 14.33 H new ATOM 0 HD1 TYR A 44 7.417 8.952 0.379 1.00 54.33 H new ATOM 0 HD2 TYR A 44 10.704 8.720 3.084 1.00 70.11 H new ATOM 0 HE1 TYR A 44 7.391 11.389 0.609 1.00 30.22 H new ATOM 0 HE2 TYR A 44 10.667 11.166 3.321 1.00 21.43 H new ATOM 0 HH TYR A 44 9.711 13.065 2.726 1.00 1.01 H new ATOM 700 N ASP A 45 9.800 7.840 -1.728 1.00 73.12 N ATOM 701 CA ASP A 45 9.202 8.549 -2.827 1.00 31.12 C ATOM 702 C ASP A 45 8.959 7.625 -3.987 1.00 73.00 C ATOM 703 O ASP A 45 9.834 6.835 -4.407 1.00 44.52 O ATOM 704 CB ASP A 45 10.075 9.731 -3.242 1.00 75.32 C ATOM 705 CG ASP A 45 9.499 10.490 -4.417 1.00 44.41 C ATOM 706 OD1 ASP A 45 8.367 11.007 -4.291 1.00 41.11 O ATOM 707 OD2 ASP A 45 10.181 10.595 -5.440 1.00 23.45 O ATOM 0 H ASP A 45 10.805 7.983 -1.629 1.00 73.12 H new ATOM 0 HA ASP A 45 8.238 8.939 -2.501 1.00 31.12 H new ATOM 0 HB2 ASP A 45 10.190 10.409 -2.396 1.00 75.32 H new ATOM 0 HB3 ASP A 45 11.071 9.371 -3.499 1.00 75.32 H new ATOM 712 N ILE A 46 7.734 7.677 -4.423 1.00 15.11 N ATOM 713 CA ILE A 46 7.190 6.831 -5.441 1.00 12.44 C ATOM 714 C ILE A 46 7.836 7.096 -6.782 1.00 31.21 C ATOM 715 O ILE A 46 7.689 8.156 -7.367 1.00 75.00 O ATOM 716 CB ILE A 46 5.653 7.020 -5.512 1.00 73.21 C ATOM 717 CG1 ILE A 46 5.036 6.614 -4.166 1.00 32.45 C ATOM 718 CG2 ILE A 46 5.045 6.216 -6.659 1.00 70.31 C ATOM 719 CD1 ILE A 46 3.559 6.871 -4.051 1.00 22.52 C ATOM 0 H ILE A 46 7.055 8.345 -4.059 1.00 15.11 H new ATOM 0 HA ILE A 46 7.405 5.794 -5.183 1.00 12.44 H new ATOM 0 HB ILE A 46 5.433 8.069 -5.709 1.00 73.21 H new ATOM 0 HG12 ILE A 46 5.220 5.552 -4.002 1.00 32.45 H new ATOM 0 HG13 ILE A 46 5.548 7.153 -3.369 1.00 32.45 H new ATOM 0 HG21 ILE A 46 3.966 6.371 -6.680 1.00 70.31 H new ATOM 0 HG22 ILE A 46 5.478 6.545 -7.604 1.00 70.31 H new ATOM 0 HG23 ILE A 46 5.256 5.157 -6.513 1.00 70.31 H new ATOM 0 HD11 ILE A 46 3.210 6.554 -3.068 1.00 22.52 H new ATOM 0 HD12 ILE A 46 3.364 7.936 -4.179 1.00 22.52 H new ATOM 0 HD13 ILE A 46 3.031 6.310 -4.822 1.00 22.52 H new ATOM 731 N SER A 47 8.483 6.087 -7.286 1.00 51.34 N ATOM 732 CA SER A 47 9.218 6.187 -8.497 1.00 2.25 C ATOM 733 C SER A 47 8.324 5.774 -9.673 1.00 43.14 C ATOM 734 O SER A 47 8.498 6.254 -10.791 1.00 34.13 O ATOM 735 CB SER A 47 10.421 5.265 -8.378 1.00 54.04 C ATOM 736 OG SER A 47 11.054 5.453 -7.109 1.00 53.34 O ATOM 0 H SER A 47 8.511 5.162 -6.856 1.00 51.34 H new ATOM 0 HA SER A 47 9.552 7.209 -8.675 1.00 2.25 H new ATOM 0 HB2 SER A 47 10.107 4.227 -8.487 1.00 54.04 H new ATOM 0 HB3 SER A 47 11.129 5.470 -9.181 1.00 54.04 H new ATOM 0 HG SER A 47 11.974 5.118 -7.149 1.00 53.34 H new ATOM 742 N VAL A 48 7.349 4.892 -9.420 1.00 52.10 N ATOM 743 CA VAL A 48 6.373 4.549 -10.448 1.00 63.30 C ATOM 744 C VAL A 48 4.997 4.434 -9.817 1.00 4.21 C ATOM 745 O VAL A 48 4.822 3.751 -8.816 1.00 42.20 O ATOM 746 CB VAL A 48 6.700 3.157 -11.127 1.00 50.51 C ATOM 747 CG1 VAL A 48 5.607 2.739 -12.121 1.00 13.55 C ATOM 748 CG2 VAL A 48 8.055 3.170 -11.827 1.00 33.41 C ATOM 0 H VAL A 48 7.220 4.414 -8.528 1.00 52.10 H new ATOM 0 HA VAL A 48 6.406 5.335 -11.203 1.00 63.30 H new ATOM 0 HB VAL A 48 6.736 2.424 -10.321 1.00 50.51 H new ATOM 0 HG11 VAL A 48 5.868 1.779 -12.566 1.00 13.55 H new ATOM 0 HG12 VAL A 48 4.655 2.650 -11.598 1.00 13.55 H new ATOM 0 HG13 VAL A 48 5.522 3.491 -12.905 1.00 13.55 H new ATOM 0 HG21 VAL A 48 8.240 2.196 -12.279 1.00 33.41 H new ATOM 0 HG22 VAL A 48 8.057 3.936 -12.602 1.00 33.41 H new ATOM 0 HG23 VAL A 48 8.838 3.387 -11.100 1.00 33.41 H new ATOM 758 N ASN A 49 4.055 5.122 -10.391 1.00 2.41 N ATOM 759 CA ASN A 49 2.651 4.983 -10.083 1.00 71.11 C ATOM 760 C ASN A 49 1.953 4.569 -11.339 1.00 71.44 C ATOM 761 O ASN A 49 1.956 5.333 -12.305 1.00 0.02 O ATOM 762 CB ASN A 49 2.037 6.279 -9.527 1.00 42.41 C ATOM 763 CG ASN A 49 0.509 6.199 -9.353 1.00 52.33 C ATOM 764 OD1 ASN A 49 -0.060 5.138 -9.108 1.00 70.31 O ATOM 765 ND2 ASN A 49 -0.153 7.319 -9.489 1.00 73.05 N ATOM 0 H ASN A 49 4.243 5.820 -11.111 1.00 2.41 H new ATOM 0 HA ASN A 49 2.531 4.234 -9.300 1.00 71.11 H new ATOM 0 HB2 ASN A 49 2.495 6.507 -8.564 1.00 42.41 H new ATOM 0 HB3 ASN A 49 2.277 7.104 -10.197 1.00 42.41 H new ATOM 0 HD21 ASN A 49 -1.168 7.326 -9.392 1.00 73.05 H new ATOM 0 HD22 ASN A 49 0.346 8.185 -9.692 1.00 73.05 H new ATOM 772 N LYS A 50 1.394 3.406 -11.392 1.00 62.42 N ATOM 773 CA LYS A 50 0.692 3.045 -12.557 1.00 0.14 C ATOM 774 C LYS A 50 -0.598 2.360 -12.255 1.00 71.41 C ATOM 775 O LYS A 50 -0.722 1.635 -11.275 1.00 44.33 O ATOM 776 CB LYS A 50 1.567 2.271 -13.547 1.00 51.03 C ATOM 777 CG LYS A 50 2.491 1.205 -12.969 1.00 33.12 C ATOM 778 CD LYS A 50 1.745 -0.020 -12.504 1.00 0.14 C ATOM 779 CE LYS A 50 2.684 -1.074 -11.963 1.00 53.30 C ATOM 780 NZ LYS A 50 1.963 -2.330 -11.597 1.00 23.33 N ATOM 0 H LYS A 50 1.413 2.706 -10.650 1.00 62.42 H new ATOM 0 HA LYS A 50 0.423 3.974 -13.060 1.00 0.14 H new ATOM 0 HB2 LYS A 50 0.912 1.793 -14.275 1.00 51.03 H new ATOM 0 HB3 LYS A 50 2.179 2.990 -14.092 1.00 51.03 H new ATOM 0 HG2 LYS A 50 3.222 0.916 -13.724 1.00 33.12 H new ATOM 0 HG3 LYS A 50 3.047 1.627 -12.132 1.00 33.12 H new ATOM 0 HD2 LYS A 50 1.029 0.261 -11.731 1.00 0.14 H new ATOM 0 HD3 LYS A 50 1.172 -0.434 -13.334 1.00 0.14 H new ATOM 0 HE2 LYS A 50 3.447 -1.298 -12.709 1.00 53.30 H new ATOM 0 HE3 LYS A 50 3.201 -0.684 -11.086 1.00 53.30 H new ATOM 0 HZ1 LYS A 50 2.522 -2.860 -10.898 1.00 23.33 H new ATOM 0 HZ2 LYS A 50 1.036 -2.092 -11.190 1.00 23.33 H new ATOM 0 HZ3 LYS A 50 1.829 -2.914 -12.447 1.00 23.33 H new ATOM 794 N ASN A 51 -1.566 2.640 -13.072 1.00 42.13 N ATOM 795 CA ASN A 51 -2.884 2.048 -12.963 1.00 45.03 C ATOM 796 C ASN A 51 -3.082 1.085 -14.101 1.00 31.42 C ATOM 797 O ASN A 51 -2.714 1.393 -15.228 1.00 52.53 O ATOM 798 CB ASN A 51 -4.009 3.117 -12.986 1.00 54.13 C ATOM 799 CG ASN A 51 -4.084 4.038 -11.753 1.00 70.24 C ATOM 800 OD1 ASN A 51 -2.964 4.353 -11.139 1.00 50.24 O flip ATOM 801 ND2 ASN A 51 -5.155 4.475 -11.375 1.00 23.13 N flip ATOM 0 H ASN A 51 -1.472 3.295 -13.848 1.00 42.13 H new ATOM 0 HA ASN A 51 -2.944 1.531 -12.005 1.00 45.03 H new ATOM 0 HB2 ASN A 51 -3.876 3.738 -13.872 1.00 54.13 H new ATOM 0 HB3 ASN A 51 -4.966 2.607 -13.094 1.00 54.13 H new ATOM 0 HD21 ASN A 51 -6.012 4.219 -11.865 1.00 23.13 H new ATOM 0 HD22 ASN A 51 -5.196 5.098 -10.568 1.00 23.13 H new ATOM 808 N ASN A 52 -3.624 -0.074 -13.820 1.00 65.21 N ATOM 809 CA ASN A 52 -3.938 -1.037 -14.883 1.00 61.42 C ATOM 810 C ASN A 52 -5.397 -0.802 -15.297 1.00 30.21 C ATOM 811 O ASN A 52 -5.865 -1.266 -16.332 1.00 30.02 O ATOM 812 CB ASN A 52 -3.718 -2.490 -14.375 1.00 41.02 C ATOM 813 CG ASN A 52 -3.665 -3.607 -15.457 1.00 14.01 C ATOM 814 OD1 ASN A 52 -2.967 -4.597 -15.285 1.00 53.03 O ATOM 815 ND2 ASN A 52 -4.391 -3.482 -16.542 1.00 34.03 N ATOM 0 H ASN A 52 -3.861 -0.385 -12.878 1.00 65.21 H new ATOM 0 HA ASN A 52 -3.282 -0.899 -15.743 1.00 61.42 H new ATOM 0 HB2 ASN A 52 -2.785 -2.516 -13.812 1.00 41.02 H new ATOM 0 HB3 ASN A 52 -4.519 -2.731 -13.676 1.00 41.02 H new ATOM 0 HD21 ASN A 52 -4.377 -4.214 -17.252 1.00 34.03 H new ATOM 0 HD22 ASN A 52 -4.970 -2.653 -16.676 1.00 34.03 H new ATOM 822 N GLY A 53 -6.105 -0.049 -14.475 1.00 21.00 N ATOM 823 CA GLY A 53 -7.487 0.274 -14.755 1.00 74.25 C ATOM 824 C GLY A 53 -8.399 -0.268 -13.693 1.00 75.14 C ATOM 825 O GLY A 53 -9.361 0.366 -13.294 1.00 73.14 O ATOM 0 H GLY A 53 -5.743 0.349 -13.608 1.00 21.00 H new ATOM 0 HA2 GLY A 53 -7.604 1.356 -14.821 1.00 74.25 H new ATOM 0 HA3 GLY A 53 -7.770 -0.136 -15.724 1.00 74.25 H new ATOM 829 N THR A 54 -8.091 -1.441 -13.227 1.00 70.34 N ATOM 830 CA THR A 54 -8.860 -2.050 -12.181 1.00 25.32 C ATOM 831 C THR A 54 -7.978 -2.212 -10.954 1.00 23.44 C ATOM 832 O THR A 54 -8.331 -2.909 -9.985 1.00 31.23 O ATOM 833 CB THR A 54 -9.472 -3.413 -12.636 1.00 54.24 C ATOM 834 OG1 THR A 54 -10.312 -3.956 -11.597 1.00 21.14 O ATOM 835 CG2 THR A 54 -8.383 -4.425 -12.999 1.00 64.04 C ATOM 0 H THR A 54 -7.305 -2.001 -13.558 1.00 70.34 H new ATOM 0 HA THR A 54 -9.703 -1.405 -11.933 1.00 25.32 H new ATOM 0 HB THR A 54 -10.071 -3.223 -13.527 1.00 54.24 H new ATOM 0 HG1 THR A 54 -9.960 -3.694 -10.721 1.00 21.14 H new ATOM 0 HG21 THR A 54 -8.846 -5.361 -13.311 1.00 64.04 H new ATOM 0 HG22 THR A 54 -7.777 -4.030 -13.815 1.00 64.04 H new ATOM 0 HG23 THR A 54 -7.750 -4.605 -12.130 1.00 64.04 H new ATOM 843 N ASP A 55 -6.854 -1.549 -10.996 1.00 63.45 N ATOM 844 CA ASP A 55 -5.891 -1.550 -9.934 1.00 73.44 C ATOM 845 C ASP A 55 -4.902 -0.448 -10.153 1.00 10.34 C ATOM 846 O ASP A 55 -4.822 0.112 -11.261 1.00 51.14 O ATOM 847 CB ASP A 55 -5.161 -2.897 -9.781 1.00 11.35 C ATOM 848 CG ASP A 55 -4.397 -3.341 -10.988 1.00 3.20 C ATOM 849 OD1 ASP A 55 -3.327 -2.811 -11.249 1.00 14.13 O ATOM 850 OD2 ASP A 55 -4.876 -4.297 -11.647 1.00 4.21 O ATOM 0 H ASP A 55 -6.577 -0.977 -11.794 1.00 63.45 H new ATOM 0 HA ASP A 55 -6.437 -1.387 -9.005 1.00 73.44 H new ATOM 0 HB2 ASP A 55 -4.472 -2.827 -8.939 1.00 11.35 H new ATOM 0 HB3 ASP A 55 -5.894 -3.664 -9.530 1.00 11.35 H new ATOM 855 N ALA A 56 -4.196 -0.124 -9.109 1.00 61.45 N ATOM 856 CA ALA A 56 -3.181 0.882 -9.111 1.00 45.21 C ATOM 857 C ALA A 56 -2.059 0.409 -8.230 1.00 1.12 C ATOM 858 O ALA A 56 -2.304 -0.190 -7.176 1.00 65.00 O ATOM 859 CB ALA A 56 -3.733 2.197 -8.598 1.00 53.10 C ATOM 0 H ALA A 56 -4.318 -0.571 -8.201 1.00 61.45 H new ATOM 0 HA ALA A 56 -2.821 1.048 -10.127 1.00 45.21 H new ATOM 0 HB1 ALA A 56 -2.945 2.950 -8.607 1.00 53.10 H new ATOM 0 HB2 ALA A 56 -4.553 2.522 -9.238 1.00 53.10 H new ATOM 0 HB3 ALA A 56 -4.098 2.066 -7.579 1.00 53.10 H new ATOM 865 N GLU A 57 -0.859 0.643 -8.648 1.00 53.21 N ATOM 866 CA GLU A 57 0.293 0.205 -7.919 1.00 12.33 C ATOM 867 C GLU A 57 1.301 1.325 -7.851 1.00 3.34 C ATOM 868 O GLU A 57 1.624 1.950 -8.880 1.00 23.10 O ATOM 869 CB GLU A 57 0.911 -0.988 -8.621 1.00 13.13 C ATOM 870 CG GLU A 57 2.097 -1.620 -7.906 1.00 34.01 C ATOM 871 CD GLU A 57 2.807 -2.576 -8.806 1.00 53.31 C ATOM 872 OE1 GLU A 57 2.207 -3.569 -9.230 1.00 44.42 O ATOM 873 OE2 GLU A 57 3.919 -2.258 -9.244 1.00 74.01 O ATOM 0 H GLU A 57 -0.645 1.146 -9.509 1.00 53.21 H new ATOM 0 HA GLU A 57 -0.003 -0.080 -6.909 1.00 12.33 H new ATOM 0 HB2 GLU A 57 0.142 -1.748 -8.756 1.00 13.13 H new ATOM 0 HB3 GLU A 57 1.231 -0.678 -9.616 1.00 13.13 H new ATOM 0 HG2 GLU A 57 2.786 -0.842 -7.577 1.00 34.01 H new ATOM 0 HG3 GLU A 57 1.754 -2.141 -7.012 1.00 34.01 H new ATOM 880 N ILE A 58 1.772 1.584 -6.668 1.00 23.22 N ATOM 881 CA ILE A 58 2.772 2.556 -6.431 1.00 61.21 C ATOM 882 C ILE A 58 4.033 1.885 -5.930 1.00 20.20 C ATOM 883 O ILE A 58 3.994 1.075 -4.989 1.00 35.04 O ATOM 884 CB ILE A 58 2.333 3.693 -5.461 1.00 1.22 C ATOM 885 CG1 ILE A 58 1.515 3.196 -4.237 1.00 41.44 C ATOM 886 CG2 ILE A 58 1.584 4.780 -6.211 1.00 3.53 C ATOM 887 CD1 ILE A 58 0.030 3.001 -4.515 1.00 14.03 C ATOM 0 H ILE A 58 1.456 1.106 -5.824 1.00 23.22 H new ATOM 0 HA ILE A 58 2.961 3.043 -7.387 1.00 61.21 H new ATOM 0 HB ILE A 58 3.253 4.109 -5.051 1.00 1.22 H new ATOM 0 HG12 ILE A 58 1.936 2.251 -3.893 1.00 41.44 H new ATOM 0 HG13 ILE A 58 1.630 3.912 -3.423 1.00 41.44 H new ATOM 0 HG21 ILE A 58 1.287 5.564 -5.514 1.00 3.53 H new ATOM 0 HG22 ILE A 58 2.231 5.203 -6.980 1.00 3.53 H new ATOM 0 HG23 ILE A 58 0.696 4.354 -6.678 1.00 3.53 H new ATOM 0 HD11 ILE A 58 -0.467 2.653 -3.609 1.00 14.03 H new ATOM 0 HD12 ILE A 58 -0.409 3.948 -4.829 1.00 14.03 H new ATOM 0 HD13 ILE A 58 -0.098 2.262 -5.306 1.00 14.03 H new ATOM 899 N VAL A 59 5.124 2.176 -6.593 1.00 43.31 N ATOM 900 CA VAL A 59 6.410 1.597 -6.283 1.00 75.11 C ATOM 901 C VAL A 59 7.395 2.694 -5.949 1.00 72.30 C ATOM 902 O VAL A 59 7.616 3.597 -6.758 1.00 1.32 O ATOM 903 CB VAL A 59 6.981 0.805 -7.494 1.00 15.32 C ATOM 904 CG1 VAL A 59 8.285 0.098 -7.134 1.00 71.20 C ATOM 905 CG2 VAL A 59 5.970 -0.177 -8.036 1.00 31.33 C ATOM 0 H VAL A 59 5.146 2.831 -7.375 1.00 43.31 H new ATOM 0 HA VAL A 59 6.270 0.922 -5.439 1.00 75.11 H new ATOM 0 HB VAL A 59 7.199 1.529 -8.279 1.00 15.32 H new ATOM 0 HG11 VAL A 59 8.656 -0.446 -8.003 1.00 71.20 H new ATOM 0 HG12 VAL A 59 9.025 0.836 -6.824 1.00 71.20 H new ATOM 0 HG13 VAL A 59 8.106 -0.602 -6.318 1.00 71.20 H new ATOM 0 HG21 VAL A 59 6.401 -0.714 -8.881 1.00 31.33 H new ATOM 0 HG22 VAL A 59 5.698 -0.888 -7.255 1.00 31.33 H new ATOM 0 HG23 VAL A 59 5.080 0.360 -8.363 1.00 31.33 H new ATOM 915 N SER A 60 7.967 2.616 -4.796 1.00 21.23 N ATOM 916 CA SER A 60 8.991 3.523 -4.371 1.00 53.31 C ATOM 917 C SER A 60 10.293 2.735 -4.314 1.00 43.21 C ATOM 918 O SER A 60 10.284 1.552 -3.929 1.00 55.04 O ATOM 919 CB SER A 60 8.646 4.041 -2.980 1.00 40.41 C ATOM 920 OG SER A 60 7.319 4.538 -2.939 1.00 52.33 O ATOM 0 H SER A 60 7.734 1.905 -4.103 1.00 21.23 H new ATOM 0 HA SER A 60 9.081 4.369 -5.053 1.00 53.31 H new ATOM 0 HB2 SER A 60 8.761 3.239 -2.250 1.00 40.41 H new ATOM 0 HB3 SER A 60 9.343 4.830 -2.699 1.00 40.41 H new ATOM 0 HG SER A 60 7.282 5.325 -2.357 1.00 52.33 H new ATOM 926 N ALA A 61 11.385 3.348 -4.680 1.00 11.21 N ATOM 927 CA ALA A 61 12.660 2.669 -4.696 1.00 30.34 C ATOM 928 C ALA A 61 13.690 3.499 -3.974 1.00 72.33 C ATOM 929 O ALA A 61 13.564 4.716 -3.897 1.00 15.14 O ATOM 930 CB ALA A 61 13.098 2.380 -6.125 1.00 1.04 C ATOM 0 H ALA A 61 11.421 4.324 -4.974 1.00 11.21 H new ATOM 0 HA ALA A 61 12.558 1.714 -4.180 1.00 30.34 H new ATOM 0 HB1 ALA A 61 14.060 1.868 -6.114 1.00 1.04 H new ATOM 0 HB2 ALA A 61 12.356 1.747 -6.612 1.00 1.04 H new ATOM 0 HB3 ALA A 61 13.192 3.317 -6.673 1.00 1.04 H new ATOM 936 N SER A 62 14.667 2.850 -3.409 1.00 41.43 N ATOM 937 CA SER A 62 15.696 3.529 -2.688 1.00 41.43 C ATOM 938 C SER A 62 17.058 3.338 -3.337 1.00 41.41 C ATOM 939 O SER A 62 17.345 2.279 -3.894 1.00 43.52 O ATOM 940 CB SER A 62 15.673 3.057 -1.262 1.00 14.55 C ATOM 941 OG SER A 62 14.388 3.323 -0.716 1.00 60.43 O ATOM 0 H SER A 62 14.770 1.836 -3.437 1.00 41.43 H new ATOM 0 HA SER A 62 15.509 4.603 -2.709 1.00 41.43 H new ATOM 0 HB2 SER A 62 15.891 1.990 -1.213 1.00 14.55 H new ATOM 0 HB3 SER A 62 16.443 3.567 -0.683 1.00 14.55 H new ATOM 0 HG SER A 62 13.954 4.035 -1.232 1.00 60.43 H new ATOM 947 N ASP A 63 17.869 4.373 -3.271 1.00 52.11 N ATOM 948 CA ASP A 63 19.201 4.398 -3.874 1.00 22.04 C ATOM 949 C ASP A 63 20.249 3.771 -2.966 1.00 44.21 C ATOM 950 O ASP A 63 21.201 3.160 -3.451 1.00 22.42 O ATOM 951 CB ASP A 63 19.602 5.855 -4.122 1.00 43.30 C ATOM 952 CG ASP A 63 19.561 6.653 -2.830 1.00 45.11 C ATOM 953 OD1 ASP A 63 18.445 7.040 -2.431 1.00 61.22 O ATOM 954 OD2 ASP A 63 20.605 6.810 -2.169 1.00 70.12 O ATOM 0 H ASP A 63 17.625 5.239 -2.791 1.00 52.11 H new ATOM 0 HA ASP A 63 19.158 3.826 -4.801 1.00 22.04 H new ATOM 0 HB2 ASP A 63 20.605 5.894 -4.547 1.00 43.30 H new ATOM 0 HB3 ASP A 63 18.929 6.303 -4.853 1.00 43.30 H new ATOM 959 N SER A 64 20.053 3.872 -1.661 1.00 34.10 N ATOM 960 CA SER A 64 21.052 3.413 -0.730 1.00 10.53 C ATOM 961 C SER A 64 21.033 1.888 -0.654 1.00 62.41 C ATOM 962 O SER A 64 22.080 1.234 -0.685 1.00 4.54 O ATOM 963 CB SER A 64 20.761 4.043 0.622 1.00 60.05 C ATOM 964 OG SER A 64 20.533 5.448 0.481 1.00 15.33 O ATOM 0 H SER A 64 19.215 4.266 -1.232 1.00 34.10 H new ATOM 0 HA SER A 64 22.049 3.708 -1.056 1.00 10.53 H new ATOM 0 HB2 SER A 64 19.887 3.570 1.070 1.00 60.05 H new ATOM 0 HB3 SER A 64 21.598 3.870 1.298 1.00 60.05 H new ATOM 0 HG SER A 64 20.741 5.723 -0.436 1.00 15.33 H new ATOM 970 N ASP A 65 19.855 1.320 -0.583 1.00 63.03 N ATOM 971 CA ASP A 65 19.715 -0.091 -0.726 1.00 23.13 C ATOM 972 C ASP A 65 18.662 -0.366 -1.773 1.00 1.02 C ATOM 973 O ASP A 65 17.473 -0.389 -1.511 1.00 53.02 O ATOM 974 CB ASP A 65 19.507 -0.857 0.626 1.00 1.31 C ATOM 975 CG ASP A 65 18.246 -0.527 1.429 1.00 43.32 C ATOM 976 OD1 ASP A 65 17.913 0.675 1.621 1.00 24.50 O ATOM 977 OD2 ASP A 65 17.615 -1.469 1.962 1.00 65.05 O ATOM 0 H ASP A 65 18.982 1.823 -0.426 1.00 63.03 H new ATOM 0 HA ASP A 65 20.662 -0.504 -1.075 1.00 23.13 H new ATOM 0 HB2 ASP A 65 19.501 -1.926 0.412 1.00 1.31 H new ATOM 0 HB3 ASP A 65 20.372 -0.664 1.260 1.00 1.31 H new ATOM 982 N SER A 66 19.140 -0.546 -2.993 1.00 1.31 N ATOM 983 CA SER A 66 18.303 -0.736 -4.176 1.00 10.25 C ATOM 984 C SER A 66 17.535 -2.050 -4.125 1.00 61.34 C ATOM 985 O SER A 66 16.564 -2.243 -4.852 1.00 22.11 O ATOM 986 CB SER A 66 19.156 -0.635 -5.452 1.00 11.01 C ATOM 987 OG SER A 66 18.370 -0.758 -6.626 1.00 4.24 O ATOM 0 H SER A 66 20.139 -0.565 -3.198 1.00 1.31 H new ATOM 0 HA SER A 66 17.559 0.061 -4.192 1.00 10.25 H new ATOM 0 HB2 SER A 66 19.679 0.321 -5.464 1.00 11.01 H new ATOM 0 HB3 SER A 66 19.918 -1.415 -5.442 1.00 11.01 H new ATOM 0 HG SER A 66 18.947 -0.687 -7.415 1.00 4.24 H new ATOM 993 N THR A 67 17.981 -2.944 -3.283 1.00 63.21 N ATOM 994 CA THR A 67 17.360 -4.227 -3.133 1.00 41.41 C ATOM 995 C THR A 67 16.107 -4.123 -2.241 1.00 34.10 C ATOM 996 O THR A 67 15.379 -5.110 -2.050 1.00 11.21 O ATOM 997 CB THR A 67 18.380 -5.282 -2.589 1.00 34.34 C ATOM 998 OG1 THR A 67 17.754 -6.550 -2.385 1.00 2.31 O ATOM 999 CG2 THR A 67 19.049 -4.812 -1.299 1.00 33.41 C ATOM 0 H THR A 67 18.790 -2.799 -2.680 1.00 63.21 H new ATOM 0 HA THR A 67 17.035 -4.572 -4.115 1.00 41.41 H new ATOM 0 HB THR A 67 19.154 -5.394 -3.349 1.00 34.34 H new ATOM 0 HG1 THR A 67 16.782 -6.432 -2.344 1.00 2.31 H new ATOM 0 HG21 THR A 67 19.750 -5.573 -0.954 1.00 33.41 H new ATOM 0 HG22 THR A 67 19.586 -3.882 -1.486 1.00 33.41 H new ATOM 0 HG23 THR A 67 18.290 -4.645 -0.535 1.00 33.41 H new ATOM 1007 N ASP A 68 15.846 -2.941 -1.723 1.00 1.34 N ATOM 1008 CA ASP A 68 14.686 -2.715 -0.906 1.00 22.45 C ATOM 1009 C ASP A 68 13.816 -1.666 -1.552 1.00 61.55 C ATOM 1010 O ASP A 68 14.288 -0.590 -1.941 1.00 43.34 O ATOM 1011 CB ASP A 68 15.075 -2.318 0.513 1.00 44.31 C ATOM 1012 CG ASP A 68 13.894 -2.156 1.440 1.00 60.43 C ATOM 1013 OD1 ASP A 68 13.072 -3.101 1.541 1.00 43.12 O ATOM 1014 OD2 ASP A 68 13.799 -1.109 2.146 1.00 64.45 O ATOM 0 H ASP A 68 16.432 -2.118 -1.859 1.00 1.34 H new ATOM 0 HA ASP A 68 14.121 -3.644 -0.829 1.00 22.45 H new ATOM 0 HB2 ASP A 68 15.746 -3.073 0.922 1.00 44.31 H new ATOM 0 HB3 ASP A 68 15.632 -1.381 0.480 1.00 44.31 H new ATOM 1019 N SER A 69 12.573 -1.993 -1.718 1.00 23.43 N ATOM 1020 CA SER A 69 11.640 -1.137 -2.360 1.00 4.54 C ATOM 1021 C SER A 69 10.272 -1.316 -1.734 1.00 73.11 C ATOM 1022 O SER A 69 10.013 -2.321 -1.039 1.00 43.14 O ATOM 1023 CB SER A 69 11.618 -1.434 -3.869 1.00 63.43 C ATOM 1024 OG SER A 69 11.498 -2.833 -4.114 1.00 33.34 O ATOM 0 H SER A 69 12.176 -2.879 -1.404 1.00 23.43 H new ATOM 0 HA SER A 69 11.936 -0.096 -2.228 1.00 4.54 H new ATOM 0 HB2 SER A 69 10.785 -0.907 -4.335 1.00 63.43 H new ATOM 0 HB3 SER A 69 12.531 -1.058 -4.330 1.00 63.43 H new ATOM 0 HG SER A 69 11.485 -2.996 -5.080 1.00 33.34 H new ATOM 1030 N LEU A 70 9.417 -0.365 -1.950 1.00 33.23 N ATOM 1031 CA LEU A 70 8.084 -0.411 -1.438 1.00 4.21 C ATOM 1032 C LEU A 70 7.149 -0.461 -2.631 1.00 62.24 C ATOM 1033 O LEU A 70 7.085 0.472 -3.405 1.00 65.44 O ATOM 1034 CB LEU A 70 7.839 0.828 -0.517 1.00 24.00 C ATOM 1035 CG LEU A 70 6.496 0.941 0.266 1.00 45.42 C ATOM 1036 CD1 LEU A 70 5.323 1.290 -0.637 1.00 54.05 C ATOM 1037 CD2 LEU A 70 6.210 -0.336 1.049 1.00 55.11 C ATOM 0 H LEU A 70 9.628 0.473 -2.492 1.00 33.23 H new ATOM 0 HA LEU A 70 7.906 -1.291 -0.820 1.00 4.21 H new ATOM 0 HB2 LEU A 70 8.648 0.859 0.213 1.00 24.00 H new ATOM 0 HB3 LEU A 70 7.934 1.720 -1.136 1.00 24.00 H new ATOM 0 HG LEU A 70 6.614 1.764 0.971 1.00 45.42 H new ATOM 0 HD11 LEU A 70 4.413 1.356 -0.041 1.00 54.05 H new ATOM 0 HD12 LEU A 70 5.510 2.248 -1.122 1.00 54.05 H new ATOM 0 HD13 LEU A 70 5.205 0.516 -1.395 1.00 54.05 H new ATOM 0 HD21 LEU A 70 5.267 -0.230 1.586 1.00 55.11 H new ATOM 0 HD22 LEU A 70 6.143 -1.178 0.360 1.00 55.11 H new ATOM 0 HD23 LEU A 70 7.015 -0.514 1.762 1.00 55.11 H new ATOM 1049 N GLN A 71 6.486 -1.567 -2.794 1.00 30.43 N ATOM 1050 CA GLN A 71 5.572 -1.775 -3.892 1.00 12.02 C ATOM 1051 C GLN A 71 4.242 -2.269 -3.353 1.00 32.13 C ATOM 1052 O GLN A 71 4.173 -3.320 -2.703 1.00 34.53 O ATOM 1053 CB GLN A 71 6.232 -2.733 -4.925 1.00 61.12 C ATOM 1054 CG GLN A 71 5.313 -3.489 -5.890 1.00 71.43 C ATOM 1055 CD GLN A 71 6.112 -4.147 -7.022 1.00 71.10 C ATOM 1056 OE1 GLN A 71 6.668 -5.249 -6.868 1.00 15.33 O ATOM 1057 NE2 GLN A 71 6.081 -3.564 -8.181 1.00 31.41 N ATOM 0 H GLN A 71 6.562 -2.365 -2.163 1.00 30.43 H new ATOM 0 HA GLN A 71 5.361 -0.845 -4.419 1.00 12.02 H new ATOM 0 HB2 GLN A 71 6.935 -2.150 -5.520 1.00 61.12 H new ATOM 0 HB3 GLN A 71 6.816 -3.470 -4.373 1.00 61.12 H new ATOM 0 HG2 GLN A 71 4.757 -4.251 -5.344 1.00 71.43 H new ATOM 0 HG3 GLN A 71 4.580 -2.801 -6.312 1.00 71.43 H new ATOM 0 HE21 GLN A 71 5.620 -2.660 -8.285 1.00 31.41 H new ATOM 0 HE22 GLN A 71 6.518 -4.010 -8.988 1.00 31.41 H new ATOM 1066 N VAL A 72 3.215 -1.475 -3.562 1.00 71.44 N ATOM 1067 CA VAL A 72 1.877 -1.780 -3.087 1.00 50.30 C ATOM 1068 C VAL A 72 0.921 -1.772 -4.256 1.00 41.31 C ATOM 1069 O VAL A 72 0.815 -0.764 -4.963 1.00 54.34 O ATOM 1070 CB VAL A 72 1.385 -0.723 -2.040 1.00 63.05 C ATOM 1071 CG1 VAL A 72 -0.046 -1.005 -1.582 1.00 13.23 C ATOM 1072 CG2 VAL A 72 2.315 -0.661 -0.841 1.00 43.43 C ATOM 0 H VAL A 72 3.282 -0.593 -4.069 1.00 71.44 H new ATOM 0 HA VAL A 72 1.905 -2.760 -2.610 1.00 50.30 H new ATOM 0 HB VAL A 72 1.397 0.246 -2.539 1.00 63.05 H new ATOM 0 HG11 VAL A 72 -0.351 -0.251 -0.857 1.00 13.23 H new ATOM 0 HG12 VAL A 72 -0.716 -0.974 -2.441 1.00 13.23 H new ATOM 0 HG13 VAL A 72 -0.093 -1.992 -1.121 1.00 13.23 H new ATOM 0 HG21 VAL A 72 1.947 0.081 -0.133 1.00 43.43 H new ATOM 0 HG22 VAL A 72 2.351 -1.637 -0.358 1.00 43.43 H new ATOM 0 HG23 VAL A 72 3.316 -0.382 -1.171 1.00 43.43 H new ATOM 1082 N ALA A 73 0.233 -2.864 -4.447 1.00 65.42 N ATOM 1083 CA ALA A 73 -0.741 -2.981 -5.487 1.00 72.14 C ATOM 1084 C ALA A 73 -2.121 -3.025 -4.873 1.00 1.23 C ATOM 1085 O ALA A 73 -2.398 -3.845 -3.984 1.00 32.03 O ATOM 1086 CB ALA A 73 -0.485 -4.221 -6.331 1.00 60.40 C ATOM 0 H ALA A 73 0.337 -3.704 -3.877 1.00 65.42 H new ATOM 0 HA ALA A 73 -0.669 -2.115 -6.145 1.00 72.14 H new ATOM 0 HB1 ALA A 73 -1.238 -4.289 -7.116 1.00 60.40 H new ATOM 0 HB2 ALA A 73 0.505 -4.156 -6.783 1.00 60.40 H new ATOM 0 HB3 ALA A 73 -0.538 -5.108 -5.700 1.00 60.40 H new ATOM 1092 N MET A 74 -2.967 -2.157 -5.328 1.00 32.33 N ATOM 1093 CA MET A 74 -4.316 -2.045 -4.830 1.00 74.21 C ATOM 1094 C MET A 74 -5.234 -2.397 -5.962 1.00 35.53 C ATOM 1095 O MET A 74 -5.189 -1.760 -6.992 1.00 24.22 O ATOM 1096 CB MET A 74 -4.592 -0.595 -4.420 1.00 41.20 C ATOM 1097 CG MET A 74 -3.628 -0.034 -3.387 1.00 61.33 C ATOM 1098 SD MET A 74 -3.883 1.719 -3.077 1.00 44.33 S ATOM 1099 CE MET A 74 -3.501 2.385 -4.690 1.00 51.43 C ATOM 0 H MET A 74 -2.744 -1.492 -6.068 1.00 32.33 H new ATOM 0 HA MET A 74 -4.463 -2.699 -3.971 1.00 74.21 H new ATOM 0 HB2 MET A 74 -4.556 0.033 -5.310 1.00 41.20 H new ATOM 0 HB3 MET A 74 -5.606 -0.530 -4.025 1.00 41.20 H new ATOM 0 HG2 MET A 74 -3.743 -0.584 -2.453 1.00 61.33 H new ATOM 0 HG3 MET A 74 -2.605 -0.193 -3.727 1.00 61.33 H new ATOM 0 HE1 MET A 74 -3.093 3.390 -4.581 1.00 51.43 H new ATOM 0 HE2 MET A 74 -2.768 1.747 -5.183 1.00 51.43 H new ATOM 0 HE3 MET A 74 -4.409 2.426 -5.291 1.00 51.43 H new ATOM 1109 N LYS A 75 -6.059 -3.392 -5.781 1.00 10.43 N ATOM 1110 CA LYS A 75 -6.939 -3.847 -6.826 1.00 61.24 C ATOM 1111 C LYS A 75 -8.393 -3.647 -6.438 1.00 62.20 C ATOM 1112 O LYS A 75 -8.798 -3.998 -5.341 1.00 1.34 O ATOM 1113 CB LYS A 75 -6.603 -5.310 -7.194 1.00 14.31 C ATOM 1114 CG LYS A 75 -7.600 -5.989 -8.123 1.00 64.42 C ATOM 1115 CD LYS A 75 -7.040 -7.268 -8.767 1.00 1.41 C ATOM 1116 CE LYS A 75 -6.259 -6.992 -10.076 1.00 65.52 C ATOM 1117 NZ LYS A 75 -5.012 -6.206 -9.893 1.00 60.13 N ATOM 0 H LYS A 75 -6.141 -3.911 -4.907 1.00 10.43 H new ATOM 0 HA LYS A 75 -6.783 -3.246 -7.722 1.00 61.24 H new ATOM 0 HB2 LYS A 75 -5.619 -5.333 -7.663 1.00 14.31 H new ATOM 0 HB3 LYS A 75 -6.532 -5.892 -6.275 1.00 14.31 H new ATOM 0 HG2 LYS A 75 -8.502 -6.235 -7.563 1.00 64.42 H new ATOM 0 HG3 LYS A 75 -7.892 -5.291 -8.907 1.00 64.42 H new ATOM 0 HD2 LYS A 75 -6.382 -7.769 -8.056 1.00 1.41 H new ATOM 0 HD3 LYS A 75 -7.862 -7.952 -8.978 1.00 1.41 H new ATOM 0 HE2 LYS A 75 -6.008 -7.945 -10.543 1.00 65.52 H new ATOM 0 HE3 LYS A 75 -6.911 -6.460 -10.768 1.00 65.52 H new ATOM 0 HZ1 LYS A 75 -4.725 -5.793 -10.803 1.00 60.13 H new ATOM 0 HZ2 LYS A 75 -5.180 -5.444 -9.205 1.00 60.13 H new ATOM 0 HZ3 LYS A 75 -4.257 -6.829 -9.542 1.00 60.13 H new ATOM 1131 N LYS A 76 -9.161 -3.121 -7.371 1.00 72.41 N ATOM 1132 CA LYS A 76 -10.512 -2.695 -7.150 1.00 65.45 C ATOM 1133 C LYS A 76 -11.472 -3.868 -7.187 1.00 43.35 C ATOM 1134 O LYS A 76 -11.590 -4.554 -8.223 1.00 71.01 O ATOM 1135 CB LYS A 76 -10.895 -1.776 -8.295 1.00 4.21 C ATOM 1136 CG LYS A 76 -12.248 -1.121 -8.150 1.00 23.15 C ATOM 1137 CD LYS A 76 -12.866 -0.829 -9.502 1.00 3.10 C ATOM 1138 CE LYS A 76 -13.553 -2.072 -10.091 1.00 3.15 C ATOM 1139 NZ LYS A 76 -12.649 -3.225 -10.393 1.00 72.33 N ATOM 0 H LYS A 76 -8.845 -2.978 -8.330 1.00 72.41 H new ATOM 0 HA LYS A 76 -10.571 -2.209 -6.176 1.00 65.45 H new ATOM 0 HB2 LYS A 76 -10.137 -0.998 -8.388 1.00 4.21 H new ATOM 0 HB3 LYS A 76 -10.880 -2.348 -9.223 1.00 4.21 H new ATOM 0 HG2 LYS A 76 -12.910 -1.771 -7.578 1.00 23.15 H new ATOM 0 HG3 LYS A 76 -12.147 -0.194 -7.586 1.00 23.15 H new ATOM 0 HD2 LYS A 76 -13.593 -0.023 -9.404 1.00 3.10 H new ATOM 0 HD3 LYS A 76 -12.094 -0.480 -10.188 1.00 3.10 H new ATOM 0 HE2 LYS A 76 -14.320 -2.407 -9.392 1.00 3.15 H new ATOM 0 HE3 LYS A 76 -14.063 -1.783 -11.010 1.00 3.15 H new ATOM 0 HZ1 LYS A 76 -13.155 -3.918 -10.980 1.00 72.33 H new ATOM 0 HZ2 LYS A 76 -11.811 -2.884 -10.905 1.00 72.33 H new ATOM 0 HZ3 LYS A 76 -12.352 -3.675 -9.504 1.00 72.33 H new ATOM 1153 N LEU A 77 -12.179 -4.047 -6.125 1.00 74.23 N ATOM 1154 CA LEU A 77 -13.190 -5.073 -6.004 1.00 55.31 C ATOM 1155 C LEU A 77 -14.568 -4.427 -6.012 1.00 41.23 C ATOM 1156 O LEU A 77 -14.707 -3.254 -5.634 1.00 11.11 O ATOM 1157 CB LEU A 77 -13.003 -5.940 -4.732 1.00 65.23 C ATOM 1158 CG LEU A 77 -12.014 -7.126 -4.814 1.00 70.43 C ATOM 1159 CD1 LEU A 77 -10.614 -6.685 -5.178 1.00 10.12 C ATOM 1160 CD2 LEU A 77 -12.002 -7.895 -3.501 1.00 73.44 C ATOM 0 H LEU A 77 -12.077 -3.475 -5.287 1.00 74.23 H new ATOM 0 HA LEU A 77 -13.090 -5.744 -6.857 1.00 55.31 H new ATOM 0 HB2 LEU A 77 -12.676 -5.285 -3.924 1.00 65.23 H new ATOM 0 HB3 LEU A 77 -13.978 -6.335 -4.448 1.00 65.23 H new ATOM 0 HG LEU A 77 -12.362 -7.781 -5.613 1.00 70.43 H new ATOM 0 HD11 LEU A 77 -9.959 -7.555 -5.223 1.00 10.12 H new ATOM 0 HD12 LEU A 77 -10.629 -6.192 -6.150 1.00 10.12 H new ATOM 0 HD13 LEU A 77 -10.244 -5.990 -4.424 1.00 10.12 H new ATOM 0 HD21 LEU A 77 -11.302 -8.727 -3.573 1.00 73.44 H new ATOM 0 HD22 LEU A 77 -11.695 -7.231 -2.693 1.00 73.44 H new ATOM 0 HD23 LEU A 77 -13.001 -8.279 -3.295 1.00 73.44 H new ATOM 1172 N PRO A 78 -15.591 -5.117 -6.546 1.00 34.31 N ATOM 1173 CA PRO A 78 -16.967 -4.618 -6.505 1.00 43.43 C ATOM 1174 C PRO A 78 -17.459 -4.485 -5.056 1.00 10.44 C ATOM 1175 O PRO A 78 -16.815 -4.988 -4.128 1.00 4.32 O ATOM 1176 CB PRO A 78 -17.775 -5.702 -7.239 1.00 24.54 C ATOM 1177 CG PRO A 78 -16.770 -6.484 -8.009 1.00 62.20 C ATOM 1178 CD PRO A 78 -15.506 -6.431 -7.209 1.00 53.41 C ATOM 0 HA PRO A 78 -17.064 -3.631 -6.956 1.00 43.43 H new ATOM 0 HB2 PRO A 78 -18.312 -6.337 -6.535 1.00 24.54 H new ATOM 0 HB3 PRO A 78 -18.519 -5.258 -7.900 1.00 24.54 H new ATOM 0 HG2 PRO A 78 -17.100 -7.513 -8.149 1.00 62.20 H new ATOM 0 HG3 PRO A 78 -16.622 -6.059 -9.002 1.00 62.20 H new ATOM 0 HD2 PRO A 78 -15.451 -7.245 -6.486 1.00 53.41 H new ATOM 0 HD3 PRO A 78 -14.623 -6.507 -7.843 1.00 53.41 H new ATOM 1186 N ASN A 79 -18.583 -3.792 -4.877 1.00 1.14 N ATOM 1187 CA ASN A 79 -19.205 -3.575 -3.547 1.00 24.34 C ATOM 1188 C ASN A 79 -18.377 -2.646 -2.672 1.00 3.22 C ATOM 1189 O ASN A 79 -18.570 -2.597 -1.463 1.00 11.13 O ATOM 1190 CB ASN A 79 -19.504 -4.905 -2.803 1.00 25.32 C ATOM 1191 CG ASN A 79 -20.597 -5.740 -3.450 1.00 70.04 C ATOM 1192 OD1 ASN A 79 -20.810 -5.699 -4.659 1.00 1.43 O ATOM 1193 ND2 ASN A 79 -21.292 -6.514 -2.652 1.00 54.52 N ATOM 0 H ASN A 79 -19.098 -3.360 -5.644 1.00 1.14 H new ATOM 0 HA ASN A 79 -20.161 -3.089 -3.743 1.00 24.34 H new ATOM 0 HB2 ASN A 79 -18.590 -5.496 -2.754 1.00 25.32 H new ATOM 0 HB3 ASN A 79 -19.793 -4.679 -1.777 1.00 25.32 H new ATOM 0 HD21 ASN A 79 -22.033 -7.104 -3.031 1.00 54.52 H new ATOM 0 HD22 ASN A 79 -21.092 -6.527 -1.652 1.00 54.52 H new ATOM 1200 N ASN A 80 -17.503 -1.860 -3.316 1.00 61.20 N ATOM 1201 CA ASN A 80 -16.644 -0.867 -2.636 1.00 35.22 C ATOM 1202 C ASN A 80 -15.606 -1.506 -1.740 1.00 61.34 C ATOM 1203 O ASN A 80 -15.464 -1.140 -0.579 1.00 42.32 O ATOM 1204 CB ASN A 80 -17.456 0.199 -1.854 1.00 51.11 C ATOM 1205 CG ASN A 80 -18.169 1.192 -2.744 1.00 74.24 C ATOM 1206 OD1 ASN A 80 -17.689 1.541 -3.824 1.00 64.30 O ATOM 1207 ND2 ASN A 80 -19.320 1.656 -2.310 1.00 2.13 N ATOM 0 H ASN A 80 -17.368 -1.891 -4.327 1.00 61.20 H new ATOM 0 HA ASN A 80 -16.116 -0.353 -3.439 1.00 35.22 H new ATOM 0 HB2 ASN A 80 -18.190 -0.305 -1.226 1.00 51.11 H new ATOM 0 HB3 ASN A 80 -16.783 0.739 -1.188 1.00 51.11 H new ATOM 0 HD21 ASN A 80 -19.844 2.326 -2.872 1.00 2.13 H new ATOM 0 HD22 ASN A 80 -19.689 1.346 -1.411 1.00 2.13 H new ATOM 1214 N ALA A 81 -14.888 -2.462 -2.274 1.00 74.22 N ATOM 1215 CA ALA A 81 -13.813 -3.084 -1.550 1.00 62.43 C ATOM 1216 C ALA A 81 -12.554 -3.057 -2.399 1.00 23.14 C ATOM 1217 O ALA A 81 -12.621 -2.859 -3.615 1.00 44.54 O ATOM 1218 CB ALA A 81 -14.170 -4.503 -1.138 1.00 42.44 C ATOM 0 H ALA A 81 -15.032 -2.827 -3.215 1.00 74.22 H new ATOM 0 HA ALA A 81 -13.635 -2.524 -0.632 1.00 62.43 H new ATOM 0 HB1 ALA A 81 -13.336 -4.944 -0.593 1.00 42.44 H new ATOM 0 HB2 ALA A 81 -15.053 -4.485 -0.499 1.00 42.44 H new ATOM 0 HB3 ALA A 81 -14.378 -5.099 -2.027 1.00 42.44 H new ATOM 1224 N THR A 82 -11.423 -3.220 -1.776 1.00 4.12 N ATOM 1225 CA THR A 82 -10.168 -3.194 -2.470 1.00 51.22 C ATOM 1226 C THR A 82 -9.230 -4.265 -1.879 1.00 44.33 C ATOM 1227 O THR A 82 -9.177 -4.455 -0.662 1.00 63.30 O ATOM 1228 CB THR A 82 -9.509 -1.790 -2.358 1.00 52.55 C ATOM 1229 OG1 THR A 82 -10.473 -0.780 -2.695 1.00 4.02 O ATOM 1230 CG2 THR A 82 -8.342 -1.670 -3.325 1.00 5.53 C ATOM 0 H THR A 82 -11.345 -3.375 -0.771 1.00 4.12 H new ATOM 0 HA THR A 82 -10.345 -3.407 -3.524 1.00 51.22 H new ATOM 0 HB THR A 82 -9.154 -1.659 -1.336 1.00 52.55 H new ATOM 0 HG1 THR A 82 -11.100 -0.665 -1.950 1.00 4.02 H new ATOM 0 HG21 THR A 82 -7.893 -0.681 -3.233 1.00 5.53 H new ATOM 0 HG22 THR A 82 -7.596 -2.430 -3.092 1.00 5.53 H new ATOM 0 HG23 THR A 82 -8.699 -1.813 -4.345 1.00 5.53 H new ATOM 1238 N ARG A 83 -8.516 -4.953 -2.728 1.00 71.43 N ATOM 1239 CA ARG A 83 -7.588 -5.988 -2.311 1.00 64.53 C ATOM 1240 C ARG A 83 -6.195 -5.413 -2.418 1.00 61.23 C ATOM 1241 O ARG A 83 -5.827 -4.871 -3.462 1.00 54.21 O ATOM 1242 CB ARG A 83 -7.703 -7.192 -3.256 1.00 72.24 C ATOM 1243 CG ARG A 83 -6.802 -8.390 -2.941 1.00 70.31 C ATOM 1244 CD ARG A 83 -7.245 -9.140 -1.699 1.00 62.22 C ATOM 1245 NE ARG A 83 -6.471 -10.394 -1.535 1.00 20.31 N ATOM 1246 CZ ARG A 83 -6.761 -11.387 -0.667 1.00 54.11 C ATOM 1247 NH1 ARG A 83 -7.719 -11.233 0.229 1.00 40.20 N ATOM 1248 NH2 ARG A 83 -6.053 -12.522 -0.685 1.00 24.33 N ATOM 0 H ARG A 83 -8.557 -4.816 -3.738 1.00 71.43 H new ATOM 0 HA ARG A 83 -7.805 -6.311 -1.293 1.00 64.53 H new ATOM 0 HB2 ARG A 83 -8.739 -7.532 -3.252 1.00 72.24 H new ATOM 0 HB3 ARG A 83 -7.482 -6.855 -4.269 1.00 72.24 H new ATOM 0 HG2 ARG A 83 -6.799 -9.072 -3.791 1.00 70.31 H new ATOM 0 HG3 ARG A 83 -5.777 -8.044 -2.806 1.00 70.31 H new ATOM 0 HD2 ARG A 83 -7.112 -8.508 -0.821 1.00 62.22 H new ATOM 0 HD3 ARG A 83 -8.308 -9.370 -1.768 1.00 62.22 H new ATOM 0 HE ARG A 83 -5.650 -10.517 -2.128 1.00 20.31 H new ATOM 0 HH11 ARG A 83 -8.245 -10.360 0.268 1.00 40.20 H new ATOM 0 HH12 ARG A 83 -7.933 -11.987 0.882 1.00 40.20 H new ATOM 0 HH21 ARG A 83 -5.293 -12.638 -1.355 1.00 24.33 H new ATOM 0 HH22 ARG A 83 -6.273 -13.271 -0.029 1.00 24.33 H new ATOM 1262 N ILE A 84 -5.433 -5.523 -1.366 1.00 11.21 N ATOM 1263 CA ILE A 84 -4.108 -4.972 -1.336 1.00 35.10 C ATOM 1264 C ILE A 84 -3.076 -6.076 -1.249 1.00 71.15 C ATOM 1265 O ILE A 84 -3.212 -7.034 -0.467 1.00 24.13 O ATOM 1266 CB ILE A 84 -3.934 -3.913 -0.164 1.00 21.12 C ATOM 1267 CG1 ILE A 84 -4.283 -2.493 -0.626 1.00 40.13 C ATOM 1268 CG2 ILE A 84 -2.544 -3.925 0.457 1.00 11.43 C ATOM 1269 CD1 ILE A 84 -5.714 -2.274 -1.044 1.00 50.30 C ATOM 0 H ILE A 84 -5.713 -5.996 -0.507 1.00 11.21 H new ATOM 0 HA ILE A 84 -3.949 -4.433 -2.270 1.00 35.10 H new ATOM 0 HB ILE A 84 -4.639 -4.221 0.608 1.00 21.12 H new ATOM 0 HG12 ILE A 84 -4.050 -1.800 0.183 1.00 40.13 H new ATOM 0 HG13 ILE A 84 -3.636 -2.234 -1.464 1.00 40.13 H new ATOM 0 HG21 ILE A 84 -2.493 -3.179 1.250 1.00 11.43 H new ATOM 0 HG22 ILE A 84 -2.340 -4.911 0.873 1.00 11.43 H new ATOM 0 HG23 ILE A 84 -1.802 -3.693 -0.307 1.00 11.43 H new ATOM 0 HD11 ILE A 84 -5.849 -1.237 -1.351 1.00 50.30 H new ATOM 0 HD12 ILE A 84 -5.954 -2.934 -1.878 1.00 50.30 H new ATOM 0 HD13 ILE A 84 -6.375 -2.493 -0.206 1.00 50.30 H new ATOM 1281 N SER A 85 -2.093 -5.961 -2.078 1.00 4.11 N ATOM 1282 CA SER A 85 -1.000 -6.860 -2.098 1.00 11.22 C ATOM 1283 C SER A 85 0.253 -6.022 -1.990 1.00 1.33 C ATOM 1284 O SER A 85 0.443 -5.077 -2.764 1.00 4.50 O ATOM 1285 CB SER A 85 -1.010 -7.677 -3.398 1.00 11.24 C ATOM 1286 OG SER A 85 -0.072 -8.741 -3.352 1.00 41.30 O ATOM 0 H SER A 85 -2.031 -5.219 -2.775 1.00 4.11 H new ATOM 0 HA SER A 85 -1.055 -7.572 -1.274 1.00 11.22 H new ATOM 0 HB2 SER A 85 -2.009 -8.079 -3.569 1.00 11.24 H new ATOM 0 HB3 SER A 85 -0.780 -7.025 -4.241 1.00 11.24 H new ATOM 0 HG SER A 85 0.341 -8.775 -2.464 1.00 41.30 H new ATOM 1292 N ILE A 86 1.056 -6.297 -1.014 1.00 50.44 N ATOM 1293 CA ILE A 86 2.255 -5.555 -0.823 1.00 24.22 C ATOM 1294 C ILE A 86 3.445 -6.462 -1.032 1.00 64.44 C ATOM 1295 O ILE A 86 3.481 -7.602 -0.546 1.00 42.44 O ATOM 1296 CB ILE A 86 2.296 -4.875 0.575 1.00 23.33 C ATOM 1297 CG1 ILE A 86 1.061 -3.973 0.736 1.00 65.02 C ATOM 1298 CG2 ILE A 86 3.584 -4.060 0.743 1.00 62.14 C ATOM 1299 CD1 ILE A 86 0.933 -3.284 2.075 1.00 72.52 C ATOM 0 H ILE A 86 0.899 -7.038 -0.331 1.00 50.44 H new ATOM 0 HA ILE A 86 2.289 -4.751 -1.558 1.00 24.22 H new ATOM 0 HB ILE A 86 2.284 -5.643 1.348 1.00 23.33 H new ATOM 0 HG12 ILE A 86 1.083 -3.212 -0.044 1.00 65.02 H new ATOM 0 HG13 ILE A 86 0.168 -4.575 0.569 1.00 65.02 H new ATOM 0 HG21 ILE A 86 3.593 -3.592 1.728 1.00 62.14 H new ATOM 0 HG22 ILE A 86 4.447 -4.719 0.646 1.00 62.14 H new ATOM 0 HG23 ILE A 86 3.629 -3.288 -0.025 1.00 62.14 H new ATOM 0 HD11 ILE A 86 0.030 -2.673 2.085 1.00 72.52 H new ATOM 0 HD12 ILE A 86 0.873 -4.033 2.865 1.00 72.52 H new ATOM 0 HD13 ILE A 86 1.803 -2.649 2.242 1.00 72.52 H new ATOM 1311 N LYS A 87 4.411 -5.943 -1.709 1.00 25.34 N ATOM 1312 CA LYS A 87 5.572 -6.651 -2.103 1.00 4.15 C ATOM 1313 C LYS A 87 6.745 -6.086 -1.334 1.00 54.11 C ATOM 1314 O LYS A 87 6.874 -4.869 -1.172 1.00 75.53 O ATOM 1315 CB LYS A 87 5.713 -6.526 -3.637 1.00 41.12 C ATOM 1316 CG LYS A 87 6.915 -7.194 -4.309 1.00 45.50 C ATOM 1317 CD LYS A 87 8.191 -6.372 -4.164 1.00 52.22 C ATOM 1318 CE LYS A 87 9.285 -6.886 -5.071 1.00 44.15 C ATOM 1319 NZ LYS A 87 8.856 -6.841 -6.494 1.00 5.30 N ATOM 0 H LYS A 87 4.409 -4.970 -2.015 1.00 25.34 H new ATOM 0 HA LYS A 87 5.520 -7.715 -1.874 1.00 4.15 H new ATOM 0 HB2 LYS A 87 4.809 -6.935 -4.089 1.00 41.12 H new ATOM 0 HB3 LYS A 87 5.741 -5.465 -3.884 1.00 41.12 H new ATOM 0 HG2 LYS A 87 7.070 -8.181 -3.873 1.00 45.50 H new ATOM 0 HG3 LYS A 87 6.700 -7.343 -5.367 1.00 45.50 H new ATOM 0 HD2 LYS A 87 7.982 -5.328 -4.399 1.00 52.22 H new ATOM 0 HD3 LYS A 87 8.530 -6.404 -3.129 1.00 52.22 H new ATOM 0 HE2 LYS A 87 10.185 -6.286 -4.939 1.00 44.15 H new ATOM 0 HE3 LYS A 87 9.541 -7.909 -4.796 1.00 44.15 H new ATOM 0 HZ1 LYS A 87 9.694 -6.797 -7.108 1.00 5.30 H new ATOM 0 HZ2 LYS A 87 8.307 -7.695 -6.718 1.00 5.30 H new ATOM 0 HZ3 LYS A 87 8.267 -5.999 -6.652 1.00 5.30 H new ATOM 1333 N TYR A 88 7.556 -6.969 -0.835 1.00 11.44 N ATOM 1334 CA TYR A 88 8.622 -6.629 0.068 1.00 64.34 C ATOM 1335 C TYR A 88 9.943 -6.434 -0.633 1.00 72.24 C ATOM 1336 O TYR A 88 10.171 -6.961 -1.728 1.00 25.12 O ATOM 1337 CB TYR A 88 8.782 -7.743 1.119 1.00 10.12 C ATOM 1338 CG TYR A 88 9.160 -9.115 0.547 1.00 21.10 C ATOM 1339 CD1 TYR A 88 8.223 -9.901 -0.110 1.00 12.22 C ATOM 1340 CD2 TYR A 88 10.453 -9.614 0.668 1.00 74.15 C ATOM 1341 CE1 TYR A 88 8.555 -11.132 -0.631 1.00 24.13 C ATOM 1342 CE2 TYR A 88 10.793 -10.848 0.149 1.00 63.31 C ATOM 1343 CZ TYR A 88 9.840 -11.600 -0.501 1.00 13.21 C ATOM 1344 OH TYR A 88 10.168 -12.824 -1.020 1.00 23.10 O ATOM 0 H TYR A 88 7.497 -7.965 -1.046 1.00 11.44 H new ATOM 0 HA TYR A 88 8.350 -5.683 0.536 1.00 64.34 H new ATOM 0 HB2 TYR A 88 9.546 -7.441 1.836 1.00 10.12 H new ATOM 0 HB3 TYR A 88 7.847 -7.840 1.671 1.00 10.12 H new ATOM 0 HD1 TYR A 88 7.211 -9.539 -0.215 1.00 12.22 H new ATOM 0 HD2 TYR A 88 11.203 -9.027 1.176 1.00 74.15 H new ATOM 0 HE1 TYR A 88 7.809 -11.726 -1.139 1.00 24.13 H new ATOM 0 HE2 TYR A 88 11.801 -11.221 0.252 1.00 63.31 H new ATOM 0 HH TYR A 88 11.114 -13.010 -0.846 1.00 23.10 H new ATOM 1354 N GLY A 89 10.772 -5.642 -0.009 1.00 71.32 N ATOM 1355 CA GLY A 89 12.125 -5.503 -0.410 1.00 43.32 C ATOM 1356 C GLY A 89 12.962 -6.386 0.477 1.00 35.20 C ATOM 1357 O GLY A 89 12.401 -7.214 1.213 1.00 13.34 O ATOM 0 H GLY A 89 10.514 -5.074 0.798 1.00 71.32 H new ATOM 0 HA2 GLY A 89 12.245 -5.788 -1.455 1.00 43.32 H new ATOM 0 HA3 GLY A 89 12.444 -4.464 -0.325 1.00 43.32 H new ATOM 1361 N SER A 90 14.247 -6.191 0.488 1.00 62.14 N ATOM 1362 CA SER A 90 15.152 -7.024 1.255 1.00 1.34 C ATOM 1363 C SER A 90 14.934 -6.925 2.774 1.00 23.12 C ATOM 1364 O SER A 90 15.363 -7.798 3.517 1.00 53.14 O ATOM 1365 CB SER A 90 16.580 -6.652 0.898 1.00 62.11 C ATOM 1366 OG SER A 90 16.746 -5.239 0.949 1.00 43.41 O ATOM 0 H SER A 90 14.709 -5.447 -0.035 1.00 62.14 H new ATOM 0 HA SER A 90 14.947 -8.062 0.993 1.00 1.34 H new ATOM 0 HB2 SER A 90 17.273 -7.132 1.589 1.00 62.11 H new ATOM 0 HB3 SER A 90 16.821 -7.018 -0.100 1.00 62.11 H new ATOM 0 HG SER A 90 17.535 -5.022 1.488 1.00 43.41 H new ATOM 1372 N GLN A 91 14.257 -5.879 3.222 1.00 14.33 N ATOM 1373 CA GLN A 91 14.089 -5.671 4.651 1.00 13.42 C ATOM 1374 C GLN A 91 12.816 -6.340 5.182 1.00 42.12 C ATOM 1375 O GLN A 91 12.614 -6.422 6.386 1.00 21.02 O ATOM 1376 CB GLN A 91 14.043 -4.181 4.976 1.00 62.41 C ATOM 1377 CG GLN A 91 15.171 -3.354 4.370 1.00 41.21 C ATOM 1378 CD GLN A 91 16.573 -3.853 4.678 1.00 22.01 C ATOM 1379 OE1 GLN A 91 16.824 -4.470 5.701 1.00 55.03 O ATOM 1380 NE2 GLN A 91 17.519 -3.518 3.822 1.00 71.33 N ATOM 0 H GLN A 91 13.822 -5.172 2.629 1.00 14.33 H new ATOM 0 HA GLN A 91 14.949 -6.129 5.140 1.00 13.42 H new ATOM 0 HB2 GLN A 91 13.091 -3.778 4.630 1.00 62.41 H new ATOM 0 HB3 GLN A 91 14.065 -4.060 6.059 1.00 62.41 H new ATOM 0 HG2 GLN A 91 15.041 -3.328 3.288 1.00 41.21 H new ATOM 0 HG3 GLN A 91 15.081 -2.328 4.727 1.00 41.21 H new ATOM 0 HE21 GLN A 91 17.281 -3.002 2.975 1.00 71.33 H new ATOM 0 HE22 GLN A 91 18.489 -3.775 4.007 1.00 71.33 H new ATOM 1389 N GLY A 92 11.966 -6.820 4.284 1.00 11.23 N ATOM 1390 CA GLY A 92 10.707 -7.399 4.717 1.00 54.24 C ATOM 1391 C GLY A 92 9.692 -6.313 5.048 1.00 24.01 C ATOM 1392 O GLY A 92 9.639 -5.806 6.168 1.00 22.40 O ATOM 0 H GLY A 92 12.121 -6.820 3.276 1.00 11.23 H new ATOM 0 HA2 GLY A 92 10.311 -8.045 3.933 1.00 54.24 H new ATOM 0 HA3 GLY A 92 10.873 -8.026 5.593 1.00 54.24 H new ATOM 1396 N ASN A 93 8.853 -5.988 4.091 1.00 50.10 N ATOM 1397 CA ASN A 93 7.933 -4.856 4.229 1.00 43.53 C ATOM 1398 C ASN A 93 6.818 -5.041 5.229 1.00 11.24 C ATOM 1399 O ASN A 93 6.257 -4.055 5.654 1.00 11.33 O ATOM 1400 CB ASN A 93 7.375 -4.357 2.878 1.00 72.12 C ATOM 1401 CG ASN A 93 8.396 -3.562 2.099 1.00 52.22 C ATOM 1402 OD1 ASN A 93 9.264 -2.955 2.680 1.00 2.33 O ATOM 1403 ND2 ASN A 93 8.288 -3.533 0.797 1.00 2.12 N ATOM 0 H ASN A 93 8.780 -6.485 3.203 1.00 50.10 H new ATOM 0 HA ASN A 93 8.574 -4.079 4.645 1.00 43.53 H new ATOM 0 HB2 ASN A 93 7.051 -5.211 2.283 1.00 72.12 H new ATOM 0 HB3 ASN A 93 6.495 -3.739 3.056 1.00 72.12 H new ATOM 0 HD21 ASN A 93 8.948 -2.987 0.243 1.00 2.12 H new ATOM 0 HD22 ASN A 93 7.544 -4.056 0.335 1.00 2.12 H new ATOM 1410 N SER A 94 6.565 -6.278 5.669 1.00 30.34 N ATOM 1411 CA SER A 94 5.425 -6.614 6.552 1.00 14.12 C ATOM 1412 C SER A 94 5.242 -5.635 7.741 1.00 32.15 C ATOM 1413 O SER A 94 4.120 -5.207 8.022 1.00 1.44 O ATOM 1414 CB SER A 94 5.593 -8.034 7.075 1.00 22.24 C ATOM 1415 OG SER A 94 5.777 -8.937 6.005 1.00 40.22 O ATOM 0 H SER A 94 7.143 -7.083 5.426 1.00 30.34 H new ATOM 0 HA SER A 94 4.524 -6.526 5.945 1.00 14.12 H new ATOM 0 HB2 SER A 94 6.448 -8.081 7.749 1.00 22.24 H new ATOM 0 HB3 SER A 94 4.715 -8.321 7.654 1.00 22.24 H new ATOM 0 HG SER A 94 5.885 -9.845 6.358 1.00 40.22 H new ATOM 1421 N ILE A 95 6.341 -5.255 8.386 1.00 43.55 N ATOM 1422 CA ILE A 95 6.293 -4.346 9.535 1.00 34.32 C ATOM 1423 C ILE A 95 5.796 -2.960 9.090 1.00 42.01 C ATOM 1424 O ILE A 95 4.845 -2.409 9.655 1.00 53.02 O ATOM 1425 CB ILE A 95 7.694 -4.201 10.263 1.00 53.23 C ATOM 1426 CG1 ILE A 95 8.183 -5.529 10.905 1.00 64.41 C ATOM 1427 CG2 ILE A 95 7.657 -3.103 11.328 1.00 34.02 C ATOM 1428 CD1 ILE A 95 8.619 -6.615 9.932 1.00 44.14 C ATOM 0 H ILE A 95 7.281 -5.562 8.134 1.00 43.55 H new ATOM 0 HA ILE A 95 5.599 -4.782 10.253 1.00 34.32 H new ATOM 0 HB ILE A 95 8.405 -3.927 9.484 1.00 53.23 H new ATOM 0 HG12 ILE A 95 9.019 -5.304 11.567 1.00 64.41 H new ATOM 0 HG13 ILE A 95 7.381 -5.926 11.528 1.00 64.41 H new ATOM 0 HG21 ILE A 95 8.633 -3.029 11.808 1.00 34.02 H new ATOM 0 HG22 ILE A 95 7.410 -2.150 10.860 1.00 34.02 H new ATOM 0 HG23 ILE A 95 6.902 -3.346 12.076 1.00 34.02 H new ATOM 0 HD11 ILE A 95 8.940 -7.495 10.489 1.00 44.14 H new ATOM 0 HD12 ILE A 95 7.783 -6.880 9.284 1.00 44.14 H new ATOM 0 HD13 ILE A 95 9.447 -6.248 9.325 1.00 44.14 H new ATOM 1440 N ARG A 96 6.403 -2.452 8.031 1.00 22.54 N ATOM 1441 CA ARG A 96 6.081 -1.129 7.504 1.00 31.43 C ATOM 1442 C ARG A 96 4.685 -1.126 6.885 1.00 10.12 C ATOM 1443 O ARG A 96 3.930 -0.166 7.025 1.00 74.30 O ATOM 1444 CB ARG A 96 7.149 -0.668 6.483 1.00 2.54 C ATOM 1445 CG ARG A 96 8.542 -0.512 7.093 1.00 30.25 C ATOM 1446 CD ARG A 96 9.569 0.081 6.122 1.00 32.43 C ATOM 1447 NE ARG A 96 9.952 -0.811 4.999 1.00 10.41 N ATOM 1448 CZ ARG A 96 11.119 -0.689 4.305 1.00 43.41 C ATOM 1449 NH1 ARG A 96 12.019 0.197 4.663 1.00 45.51 N ATOM 1450 NH2 ARG A 96 11.374 -1.472 3.281 1.00 71.22 N ATOM 0 H ARG A 96 7.132 -2.940 7.511 1.00 22.54 H new ATOM 0 HA ARG A 96 6.085 -0.418 8.330 1.00 31.43 H new ATOM 0 HB2 ARG A 96 7.196 -1.389 5.667 1.00 2.54 H new ATOM 0 HB3 ARG A 96 6.841 0.284 6.050 1.00 2.54 H new ATOM 0 HG2 ARG A 96 8.475 0.126 7.974 1.00 30.25 H new ATOM 0 HG3 ARG A 96 8.894 -1.487 7.431 1.00 30.25 H new ATOM 0 HD2 ARG A 96 9.167 1.007 5.711 1.00 32.43 H new ATOM 0 HD3 ARG A 96 10.467 0.344 6.681 1.00 32.43 H new ATOM 0 HE ARG A 96 9.307 -1.555 4.732 1.00 10.41 H new ATOM 0 HH11 ARG A 96 11.848 0.801 5.467 1.00 45.51 H new ATOM 0 HH12 ARG A 96 12.889 0.281 4.138 1.00 45.51 H new ATOM 0 HH21 ARG A 96 10.696 -2.179 2.999 1.00 71.22 H new ATOM 0 HH22 ARG A 96 12.250 -1.372 2.769 1.00 71.22 H new ATOM 1464 N SER A 97 4.346 -2.222 6.246 1.00 30.41 N ATOM 1465 CA SER A 97 3.068 -2.406 5.612 1.00 32.03 C ATOM 1466 C SER A 97 1.924 -2.406 6.625 1.00 72.11 C ATOM 1467 O SER A 97 0.885 -1.810 6.372 1.00 23.25 O ATOM 1468 CB SER A 97 3.084 -3.708 4.837 1.00 25.52 C ATOM 1469 OG SER A 97 4.126 -3.692 3.880 1.00 62.51 O ATOM 0 H SER A 97 4.967 -3.026 6.153 1.00 30.41 H new ATOM 0 HA SER A 97 2.896 -1.570 4.935 1.00 32.03 H new ATOM 0 HB2 SER A 97 3.221 -4.546 5.521 1.00 25.52 H new ATOM 0 HB3 SER A 97 2.125 -3.856 4.340 1.00 25.52 H new ATOM 0 HG SER A 97 4.992 -3.680 4.339 1.00 62.51 H new ATOM 1475 N SER A 98 2.132 -3.048 7.765 1.00 4.11 N ATOM 1476 CA SER A 98 1.107 -3.133 8.790 1.00 3.40 C ATOM 1477 C SER A 98 0.754 -1.723 9.301 1.00 5.51 C ATOM 1478 O SER A 98 -0.422 -1.381 9.470 1.00 35.13 O ATOM 1479 CB SER A 98 1.584 -4.048 9.935 1.00 64.05 C ATOM 1480 OG SER A 98 0.537 -4.349 10.842 1.00 44.11 O ATOM 0 H SER A 98 3.005 -3.519 8.002 1.00 4.11 H new ATOM 0 HA SER A 98 0.203 -3.570 8.366 1.00 3.40 H new ATOM 0 HB2 SER A 98 1.981 -4.974 9.519 1.00 64.05 H new ATOM 0 HB3 SER A 98 2.400 -3.564 10.471 1.00 64.05 H new ATOM 0 HG SER A 98 0.877 -4.932 11.552 1.00 44.11 H new ATOM 1486 N ALA A 99 1.777 -0.895 9.484 1.00 71.50 N ATOM 1487 CA ALA A 99 1.575 0.467 9.940 1.00 25.14 C ATOM 1488 C ALA A 99 0.893 1.294 8.858 1.00 40.12 C ATOM 1489 O ALA A 99 -0.026 2.064 9.140 1.00 33.02 O ATOM 1490 CB ALA A 99 2.900 1.095 10.347 1.00 1.41 C ATOM 0 H ALA A 99 2.752 -1.147 9.322 1.00 71.50 H new ATOM 0 HA ALA A 99 0.925 0.448 10.815 1.00 25.14 H new ATOM 0 HB1 ALA A 99 2.729 2.117 10.686 1.00 1.41 H new ATOM 0 HB2 ALA A 99 3.345 0.514 11.155 1.00 1.41 H new ATOM 0 HB3 ALA A 99 3.576 1.105 9.492 1.00 1.41 H new ATOM 1496 N LEU A 100 1.332 1.095 7.617 1.00 34.12 N ATOM 1497 CA LEU A 100 0.796 1.777 6.458 1.00 63.24 C ATOM 1498 C LEU A 100 -0.702 1.526 6.345 1.00 10.50 C ATOM 1499 O LEU A 100 -1.479 2.459 6.212 1.00 61.04 O ATOM 1500 CB LEU A 100 1.494 1.244 5.209 1.00 33.22 C ATOM 1501 CG LEU A 100 1.227 1.981 3.901 1.00 51.52 C ATOM 1502 CD1 LEU A 100 1.736 3.412 3.974 1.00 35.25 C ATOM 1503 CD2 LEU A 100 1.867 1.240 2.740 1.00 73.01 C ATOM 0 H LEU A 100 2.083 0.443 7.393 1.00 34.12 H new ATOM 0 HA LEU A 100 0.966 2.849 6.558 1.00 63.24 H new ATOM 0 HB2 LEU A 100 2.569 1.254 5.391 1.00 33.22 H new ATOM 0 HB3 LEU A 100 1.203 0.202 5.077 1.00 33.22 H new ATOM 0 HG LEU A 100 0.150 2.016 3.738 1.00 51.52 H new ATOM 0 HD11 LEU A 100 1.535 3.918 3.030 1.00 35.25 H new ATOM 0 HD12 LEU A 100 1.229 3.938 4.783 1.00 35.25 H new ATOM 0 HD13 LEU A 100 2.810 3.407 4.161 1.00 35.25 H new ATOM 0 HD21 LEU A 100 1.669 1.777 1.812 1.00 73.01 H new ATOM 0 HD22 LEU A 100 2.943 1.175 2.899 1.00 73.01 H new ATOM 0 HD23 LEU A 100 1.449 0.236 2.675 1.00 73.01 H new ATOM 1515 N ILE A 101 -1.085 0.264 6.467 1.00 25.13 N ATOM 1516 CA ILE A 101 -2.492 -0.149 6.367 1.00 62.12 C ATOM 1517 C ILE A 101 -3.344 0.544 7.430 1.00 52.34 C ATOM 1518 O ILE A 101 -4.423 1.062 7.117 1.00 72.04 O ATOM 1519 CB ILE A 101 -2.644 -1.700 6.487 1.00 64.42 C ATOM 1520 CG1 ILE A 101 -1.959 -2.413 5.309 1.00 35.24 C ATOM 1521 CG2 ILE A 101 -4.108 -2.129 6.607 1.00 30.54 C ATOM 1522 CD1 ILE A 101 -2.492 -2.036 3.936 1.00 32.24 C ATOM 0 H ILE A 101 -0.438 -0.506 6.638 1.00 25.13 H new ATOM 0 HA ILE A 101 -2.847 0.153 5.382 1.00 62.12 H new ATOM 0 HB ILE A 101 -2.145 -1.999 7.409 1.00 64.42 H new ATOM 0 HG12 ILE A 101 -0.892 -2.194 5.341 1.00 35.24 H new ATOM 0 HG13 ILE A 101 -2.067 -3.489 5.442 1.00 35.24 H new ATOM 0 HG21 ILE A 101 -4.164 -3.215 6.688 1.00 30.54 H new ATOM 0 HG22 ILE A 101 -4.548 -1.676 7.495 1.00 30.54 H new ATOM 0 HG23 ILE A 101 -4.656 -1.802 5.723 1.00 30.54 H new ATOM 0 HD11 ILE A 101 -1.948 -2.589 3.170 1.00 32.24 H new ATOM 0 HD12 ILE A 101 -3.552 -2.282 3.877 1.00 32.24 H new ATOM 0 HD13 ILE A 101 -2.358 -0.966 3.775 1.00 32.24 H new ATOM 1534 N GLY A 102 -2.823 0.607 8.659 1.00 20.32 N ATOM 1535 CA GLY A 102 -3.527 1.262 9.758 1.00 32.11 C ATOM 1536 C GLY A 102 -3.849 2.706 9.448 1.00 62.01 C ATOM 1537 O GLY A 102 -4.944 3.206 9.752 1.00 12.02 O ATOM 0 H GLY A 102 -1.918 0.212 8.914 1.00 20.32 H new ATOM 0 HA2 GLY A 102 -4.450 0.723 9.969 1.00 32.11 H new ATOM 0 HA3 GLY A 102 -2.916 1.213 10.659 1.00 32.11 H new ATOM 1541 N ILE A 103 -2.905 3.352 8.824 1.00 52.01 N ATOM 1542 CA ILE A 103 -3.034 4.720 8.403 1.00 50.34 C ATOM 1543 C ILE A 103 -4.062 4.833 7.293 1.00 44.41 C ATOM 1544 O ILE A 103 -4.956 5.661 7.365 1.00 51.52 O ATOM 1545 CB ILE A 103 -1.670 5.242 7.908 1.00 51.42 C ATOM 1546 CG1 ILE A 103 -0.688 5.271 9.077 1.00 52.42 C ATOM 1547 CG2 ILE A 103 -1.795 6.622 7.235 1.00 10.12 C ATOM 1548 CD1 ILE A 103 0.743 5.418 8.664 1.00 35.05 C ATOM 0 H ILE A 103 -2.005 2.934 8.588 1.00 52.01 H new ATOM 0 HA ILE A 103 -3.365 5.321 9.250 1.00 50.34 H new ATOM 0 HB ILE A 103 -1.290 4.564 7.144 1.00 51.42 H new ATOM 0 HG12 ILE A 103 -0.951 6.096 9.739 1.00 52.42 H new ATOM 0 HG13 ILE A 103 -0.797 4.352 9.653 1.00 52.42 H new ATOM 0 HG21 ILE A 103 -0.812 6.954 6.901 1.00 10.12 H new ATOM 0 HG22 ILE A 103 -2.465 6.550 6.378 1.00 10.12 H new ATOM 0 HG23 ILE A 103 -2.197 7.340 7.950 1.00 10.12 H new ATOM 0 HD11 ILE A 103 1.378 5.430 9.550 1.00 35.05 H new ATOM 0 HD12 ILE A 103 1.026 4.580 8.027 1.00 35.05 H new ATOM 0 HD13 ILE A 103 0.869 6.351 8.114 1.00 35.05 H new ATOM 1560 N ILE A 104 -3.950 3.964 6.306 1.00 3.31 N ATOM 1561 CA ILE A 104 -4.801 4.020 5.133 1.00 44.44 C ATOM 1562 C ILE A 104 -6.277 3.834 5.488 1.00 61.34 C ATOM 1563 O ILE A 104 -7.102 4.685 5.150 1.00 1.44 O ATOM 1564 CB ILE A 104 -4.382 2.928 4.115 1.00 5.10 C ATOM 1565 CG1 ILE A 104 -2.950 3.164 3.637 1.00 34.50 C ATOM 1566 CG2 ILE A 104 -5.331 2.895 2.931 1.00 70.12 C ATOM 1567 CD1 ILE A 104 -2.390 2.030 2.802 1.00 75.24 C ATOM 0 H ILE A 104 -3.270 3.203 6.295 1.00 3.31 H new ATOM 0 HA ILE A 104 -4.677 5.010 4.693 1.00 44.44 H new ATOM 0 HB ILE A 104 -4.430 1.962 4.618 1.00 5.10 H new ATOM 0 HG12 ILE A 104 -2.919 4.083 3.052 1.00 34.50 H new ATOM 0 HG13 ILE A 104 -2.308 3.316 4.504 1.00 34.50 H new ATOM 0 HG21 ILE A 104 -5.014 2.121 2.232 1.00 70.12 H new ATOM 0 HG22 ILE A 104 -6.341 2.678 3.280 1.00 70.12 H new ATOM 0 HG23 ILE A 104 -5.321 3.863 2.429 1.00 70.12 H new ATOM 0 HD11 ILE A 104 -1.371 2.270 2.500 1.00 75.24 H new ATOM 0 HD12 ILE A 104 -2.388 1.112 3.390 1.00 75.24 H new ATOM 0 HD13 ILE A 104 -3.008 1.891 1.915 1.00 75.24 H new ATOM 1579 N GLU A 105 -6.601 2.781 6.226 1.00 73.44 N ATOM 1580 CA GLU A 105 -7.986 2.552 6.584 1.00 44.05 C ATOM 1581 C GLU A 105 -8.516 3.607 7.539 1.00 32.01 C ATOM 1582 O GLU A 105 -9.641 4.090 7.388 1.00 61.42 O ATOM 1583 CB GLU A 105 -8.277 1.126 7.055 1.00 0.01 C ATOM 1584 CG GLU A 105 -7.437 0.621 8.203 1.00 44.35 C ATOM 1585 CD GLU A 105 -7.948 -0.705 8.713 1.00 31.31 C ATOM 1586 OE1 GLU A 105 -8.034 -1.664 7.936 1.00 11.14 O ATOM 1587 OE2 GLU A 105 -8.375 -0.751 9.895 1.00 22.25 O ATOM 0 H GLU A 105 -5.939 2.090 6.579 1.00 73.44 H new ATOM 0 HA GLU A 105 -8.547 2.659 5.656 1.00 44.05 H new ATOM 0 HB2 GLU A 105 -9.326 1.068 7.346 1.00 0.01 H new ATOM 0 HB3 GLU A 105 -8.143 0.451 6.209 1.00 0.01 H new ATOM 0 HG2 GLU A 105 -6.402 0.514 7.880 1.00 44.35 H new ATOM 0 HG3 GLU A 105 -7.445 1.352 9.012 1.00 44.35 H new ATOM 1594 N GLY A 106 -7.685 4.000 8.489 1.00 61.22 N ATOM 1595 CA GLY A 106 -8.076 4.993 9.460 1.00 43.21 C ATOM 1596 C GLY A 106 -8.280 6.359 8.842 1.00 61.23 C ATOM 1597 O GLY A 106 -9.165 7.098 9.259 1.00 54.24 O ATOM 0 H GLY A 106 -6.736 3.643 8.604 1.00 61.22 H new ATOM 0 HA2 GLY A 106 -8.998 4.677 9.947 1.00 43.21 H new ATOM 0 HA3 GLY A 106 -7.313 5.059 10.235 1.00 43.21 H new ATOM 1601 N ASN A 107 -7.476 6.680 7.837 1.00 22.42 N ATOM 1602 CA ASN A 107 -7.578 7.958 7.124 1.00 24.51 C ATOM 1603 C ASN A 107 -8.916 8.024 6.412 1.00 15.41 C ATOM 1604 O ASN A 107 -9.597 9.049 6.447 1.00 15.24 O ATOM 1605 CB ASN A 107 -6.426 8.102 6.108 1.00 62.40 C ATOM 1606 CG ASN A 107 -6.399 9.431 5.344 1.00 75.21 C ATOM 1607 OD1 ASN A 107 -5.966 9.481 4.203 1.00 43.44 O ATOM 1608 ND2 ASN A 107 -6.825 10.512 5.967 1.00 33.23 N ATOM 0 H ASN A 107 -6.736 6.069 7.490 1.00 22.42 H new ATOM 0 HA ASN A 107 -7.505 8.777 7.840 1.00 24.51 H new ATOM 0 HB2 ASN A 107 -5.479 7.984 6.635 1.00 62.40 H new ATOM 0 HB3 ASN A 107 -6.493 7.287 5.387 1.00 62.40 H new ATOM 0 HD21 ASN A 107 -6.797 11.416 5.496 1.00 33.23 H new ATOM 0 HD22 ASN A 107 -7.182 10.444 6.920 1.00 33.23 H new ATOM 1615 N ILE A 108 -9.307 6.904 5.825 1.00 23.23 N ATOM 1616 CA ILE A 108 -10.591 6.780 5.158 1.00 31.42 C ATOM 1617 C ILE A 108 -11.724 6.946 6.176 1.00 24.40 C ATOM 1618 O ILE A 108 -12.693 7.655 5.931 1.00 25.22 O ATOM 1619 CB ILE A 108 -10.719 5.401 4.458 1.00 11.32 C ATOM 1620 CG1 ILE A 108 -9.618 5.244 3.399 1.00 3.44 C ATOM 1621 CG2 ILE A 108 -12.104 5.237 3.832 1.00 25.45 C ATOM 1622 CD1 ILE A 108 -9.556 3.874 2.765 1.00 72.43 C ATOM 0 H ILE A 108 -8.742 6.055 5.798 1.00 23.23 H new ATOM 0 HA ILE A 108 -10.661 7.562 4.401 1.00 31.42 H new ATOM 0 HB ILE A 108 -10.596 4.617 5.206 1.00 11.32 H new ATOM 0 HG12 ILE A 108 -9.774 5.987 2.617 1.00 3.44 H new ATOM 0 HG13 ILE A 108 -8.654 5.463 3.859 1.00 3.44 H new ATOM 0 HG21 ILE A 108 -12.171 4.263 3.347 1.00 25.45 H new ATOM 0 HG22 ILE A 108 -12.865 5.309 4.609 1.00 25.45 H new ATOM 0 HG23 ILE A 108 -12.265 6.022 3.093 1.00 25.45 H new ATOM 0 HD11 ILE A 108 -8.752 3.849 2.030 1.00 72.43 H new ATOM 0 HD12 ILE A 108 -9.367 3.125 3.534 1.00 72.43 H new ATOM 0 HD13 ILE A 108 -10.504 3.657 2.273 1.00 72.43 H new ATOM 1634 N ARG A 109 -11.572 6.302 7.327 1.00 73.11 N ATOM 1635 CA ARG A 109 -12.560 6.382 8.393 1.00 43.12 C ATOM 1636 C ARG A 109 -12.724 7.796 8.921 1.00 22.22 C ATOM 1637 O ARG A 109 -13.824 8.199 9.262 1.00 1.51 O ATOM 1638 CB ARG A 109 -12.243 5.407 9.524 1.00 52.24 C ATOM 1639 CG ARG A 109 -12.215 3.984 9.044 1.00 12.11 C ATOM 1640 CD ARG A 109 -12.243 2.970 10.167 1.00 75.44 C ATOM 1641 NE ARG A 109 -10.937 2.780 10.788 1.00 73.00 N ATOM 1642 CZ ARG A 109 -10.196 1.671 10.596 1.00 54.34 C ATOM 1643 NH1 ARG A 109 -10.583 0.751 9.723 1.00 33.41 N ATOM 1644 NH2 ARG A 109 -9.052 1.496 11.235 1.00 62.20 N ATOM 0 H ARG A 109 -10.767 5.715 7.546 1.00 73.11 H new ATOM 0 HA ARG A 109 -13.515 6.090 7.956 1.00 43.12 H new ATOM 0 HB2 ARG A 109 -11.278 5.661 9.963 1.00 52.24 H new ATOM 0 HB3 ARG A 109 -12.989 5.510 10.312 1.00 52.24 H new ATOM 0 HG2 ARG A 109 -13.069 3.813 8.388 1.00 12.11 H new ATOM 0 HG3 ARG A 109 -11.317 3.828 8.446 1.00 12.11 H new ATOM 0 HD2 ARG A 109 -12.957 3.293 10.925 1.00 75.44 H new ATOM 0 HD3 ARG A 109 -12.599 2.015 9.780 1.00 75.44 H new ATOM 0 HE ARG A 109 -10.570 3.516 11.392 1.00 73.00 H new ATOM 0 HH11 ARG A 109 -11.445 0.881 9.193 1.00 33.41 H new ATOM 0 HH12 ARG A 109 -10.019 -0.087 9.581 1.00 33.41 H new ATOM 0 HH21 ARG A 109 -8.717 2.207 11.886 1.00 62.20 H new ATOM 0 HH22 ARG A 109 -8.504 0.650 11.077 1.00 62.20 H new ATOM 1658 N TYR A 110 -11.633 8.535 8.969 1.00 11.42 N ATOM 1659 CA TYR A 110 -11.668 9.917 9.422 1.00 34.12 C ATOM 1660 C TYR A 110 -12.376 10.788 8.372 1.00 23.32 C ATOM 1661 O TYR A 110 -13.180 11.639 8.699 1.00 72.42 O ATOM 1662 CB TYR A 110 -10.236 10.431 9.684 1.00 11.05 C ATOM 1663 CG TYR A 110 -10.189 11.813 10.297 1.00 31.45 C ATOM 1664 CD1 TYR A 110 -10.239 11.977 11.675 1.00 63.11 C ATOM 1665 CD2 TYR A 110 -10.124 12.950 9.502 1.00 43.32 C ATOM 1666 CE1 TYR A 110 -10.224 13.234 12.243 1.00 35.44 C ATOM 1667 CE2 TYR A 110 -10.118 14.207 10.060 1.00 32.31 C ATOM 1668 CZ TYR A 110 -10.170 14.343 11.430 1.00 24.10 C ATOM 1669 OH TYR A 110 -10.188 15.595 11.983 1.00 41.32 O ATOM 0 H TYR A 110 -10.707 8.203 8.699 1.00 11.42 H new ATOM 0 HA TYR A 110 -12.225 9.974 10.357 1.00 34.12 H new ATOM 0 HB2 TYR A 110 -9.724 9.732 10.345 1.00 11.05 H new ATOM 0 HB3 TYR A 110 -9.685 10.441 8.743 1.00 11.05 H new ATOM 0 HD1 TYR A 110 -10.290 11.107 12.312 1.00 63.11 H new ATOM 0 HD2 TYR A 110 -10.077 12.845 8.428 1.00 43.32 H new ATOM 0 HE1 TYR A 110 -10.254 13.347 13.317 1.00 35.44 H new ATOM 0 HE2 TYR A 110 -10.073 15.082 9.428 1.00 32.31 H new ATOM 0 HH TYR A 110 -10.142 16.268 11.272 1.00 41.32 H new ATOM 1679 N ALA A 111 -12.090 10.514 7.105 1.00 34.23 N ATOM 1680 CA ALA A 111 -12.677 11.252 5.980 1.00 44.35 C ATOM 1681 C ALA A 111 -14.191 11.049 5.908 1.00 60.33 C ATOM 1682 O ALA A 111 -14.912 11.848 5.322 1.00 70.11 O ATOM 1683 CB ALA A 111 -12.018 10.836 4.671 1.00 10.20 C ATOM 0 H ALA A 111 -11.446 9.775 6.823 1.00 34.23 H new ATOM 0 HA ALA A 111 -12.493 12.314 6.144 1.00 44.35 H new ATOM 0 HB1 ALA A 111 -12.464 11.392 3.846 1.00 10.20 H new ATOM 0 HB2 ALA A 111 -10.950 11.050 4.717 1.00 10.20 H new ATOM 0 HB3 ALA A 111 -12.168 9.768 4.512 1.00 10.20 H new ATOM 1689 N ASN A 112 -14.639 9.953 6.480 1.00 54.34 N ATOM 1690 CA ASN A 112 -16.047 9.592 6.523 1.00 31.12 C ATOM 1691 C ASN A 112 -16.811 10.468 7.537 1.00 63.43 C ATOM 1692 O ASN A 112 -18.030 10.611 7.451 1.00 13.24 O ATOM 1693 CB ASN A 112 -16.173 8.096 6.893 1.00 41.31 C ATOM 1694 CG ASN A 112 -17.608 7.577 6.963 1.00 41.32 C ATOM 1695 OD1 ASN A 112 -18.162 7.113 5.977 1.00 51.31 O ATOM 1696 ND2 ASN A 112 -18.201 7.614 8.137 1.00 44.02 N ATOM 0 H ASN A 112 -14.029 9.274 6.936 1.00 54.34 H new ATOM 0 HA ASN A 112 -16.490 9.763 5.542 1.00 31.12 H new ATOM 0 HB2 ASN A 112 -15.623 7.506 6.160 1.00 41.31 H new ATOM 0 HB3 ASN A 112 -15.694 7.932 7.858 1.00 41.31 H new ATOM 0 HD21 ASN A 112 -19.148 7.249 8.242 1.00 44.02 H new ATOM 0 HD22 ASN A 112 -17.714 8.007 8.942 1.00 44.02 H new