USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=39 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 69 SER OG : rot -95:sc= 2.4 USER MOD Set 1.2: A 71 GLN : amide:sc= 1.95 K(o=6.8,f=-7.1!) USER MOD Set 1.3: A 87 LYS NZ :NH3+ 179:sc= 2.41 (180deg=0) USER MOD Set 2.1: A 67 THR OG1 : rot -26:sc= 0.757 USER MOD Set 2.2: A 90 SER OG : rot 123:sc= 1.21 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.141 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -163:sc= -1.01! (180deg=-2.23!) USER MOD Set 4.1: A 24 TYR OH : rot -159:sc= 0.557 USER MOD Set 4.2: A 52 ASN : amide:sc= 0.814 X(o=1.4,f=1.5) USER MOD Set 5.1: A 49 ASN : amide:sc= 1.17 K(o=2.3,f=-0.65) USER MOD Set 5.2: A 51 ASN : amide:sc= 1.08 K(o=2.3,f=-1.5) USER MOD Set 6.1: A 40 LYS NZ :NH3+ 174:sc= -0.89! (180deg=-0.642!) USER MOD Set 6.2: A 42 ASN : amide:sc= 0.736 K(o=1.8,f=-6.3!) USER MOD Set 6.3: A 62 SER OG : rot 138:sc= -0.738 USER MOD Set 6.4: A 91 GLN : amide:sc= 2.72 K(o=1.8,f=-8!) USER MOD Set 7.1: A 25 ASN :FLIP amide:sc= 0.4 F(o=-0.14,f=0.89) USER MOD Set 7.2: A 29 GLN :FLIP amide:sc= 0.487 F(o=-0.14,f=0.89) USER MOD Set 7.3: A 107 ASN :FLIP amide:sc= 0 F(o=-0.14,f=0.89) USER MOD Set 8.1: A 19 ASN : amide:sc= 0.538 K(o=1.1,f=-0.25) USER MOD Set 8.2: A 80 ASN : amide:sc= 0.54 K(o=1.1,f=-0.37) USER MOD Set 9.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 9.2: A 85 SER OG : rot 100:sc= 0.967 USER MOD Single : A 6 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.88) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= 0.941 (180deg=-1.62!) 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 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 27 THR OG1 : rot 77:sc= 0.911 USER MOD Single : A 32 GLN : amide:sc= 0.905 K(o=0.9,f=-1.2) USER MOD Single : A 33 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.323 K(o=0.32,f=-0.87) 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 4:sc= 0.0124 USER MOD Single : A 44 TYR OH : rot 67:sc= -0.754 USER MOD Single : A 47 SER OG : rot -140:sc= -0.0739 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 0.629 (180deg=-1.16!) USER MOD Single : A 60 SER OG : rot 114:sc= -0.61 USER MOD Single : A 64 SER OG : rot -3:sc= 0.325 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -121:sc= -0.0584 (180deg=-2.47!) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.412 (180deg=-1.73!) USER MOD Single : A 79 ASN : amide:sc=-0.00935 K(o=-0.0094,f=-1.7!) USER MOD Single : A 82 THR OG1 : rot 74:sc= -0.987! USER MOD Single : A 88 TYR OH : rot 30:sc= -0.203 USER MOD Single : A 93 ASN : amide:sc= -3.07! C(o=-3.1!,f=-4.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.042 USER MOD Single : A 97 SER OG : rot 157:sc= 0.741 USER MOD Single : A 98 SER OG : rot 78:sc= 1.25 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.669 K(o=0.67,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.270 -12.687 4.389 1.00 53.44 N ATOM 73 CA GLN A 6 -1.149 -13.592 4.223 1.00 75.13 C ATOM 74 C GLN A 6 0.147 -12.826 4.274 1.00 54.41 C ATOM 75 O GLN A 6 0.241 -11.718 3.748 1.00 73.04 O ATOM 76 CB GLN A 6 -1.242 -14.378 2.901 1.00 53.42 C ATOM 77 CG GLN A 6 -2.286 -15.484 2.901 1.00 4.54 C ATOM 78 CD GLN A 6 -1.969 -16.559 3.930 1.00 3.12 C ATOM 79 OE1 GLN A 6 -0.814 -16.821 4.237 1.00 31.01 O ATOM 80 NE2 GLN A 6 -2.984 -17.171 4.479 1.00 51.11 N ATOM 0 HA GLN A 6 -1.180 -14.310 5.042 1.00 75.13 H new ATOM 0 HB2 GLN A 6 -1.468 -13.682 2.093 1.00 53.42 H new ATOM 0 HB3 GLN A 6 -0.267 -14.815 2.682 1.00 53.42 H new ATOM 0 HG2 GLN A 6 -3.267 -15.058 3.111 1.00 4.54 H new ATOM 0 HG3 GLN A 6 -2.339 -15.934 1.910 1.00 4.54 H new ATOM 0 HE21 GLN A 6 -3.936 -16.930 4.202 1.00 51.11 H new ATOM 0 HE22 GLN A 6 -2.825 -17.890 5.185 1.00 51.11 H new ATOM 89 N TYR A 7 1.109 -13.383 4.951 1.00 14.31 N ATOM 90 CA TYR A 7 2.435 -12.831 5.027 1.00 53.53 C ATOM 91 C TYR A 7 3.436 -13.854 4.516 1.00 51.23 C ATOM 92 O TYR A 7 3.591 -14.918 5.101 1.00 71.14 O ATOM 93 CB TYR A 7 2.768 -12.311 6.458 1.00 12.52 C ATOM 94 CG TYR A 7 2.567 -13.307 7.600 1.00 15.04 C ATOM 95 CD1 TYR A 7 1.312 -13.490 8.176 1.00 42.12 C ATOM 96 CD2 TYR A 7 3.631 -14.047 8.107 1.00 74.31 C ATOM 97 CE1 TYR A 7 1.123 -14.382 9.213 1.00 11.15 C ATOM 98 CE2 TYR A 7 3.448 -14.941 9.146 1.00 43.10 C ATOM 99 CZ TYR A 7 2.194 -15.104 9.695 1.00 55.14 C ATOM 100 OH TYR A 7 2.011 -15.991 10.733 1.00 10.54 O ATOM 0 H TYR A 7 0.994 -14.250 5.476 1.00 14.31 H new ATOM 0 HA TYR A 7 2.495 -11.953 4.384 1.00 53.53 H new ATOM 0 HB2 TYR A 7 3.807 -11.981 6.470 1.00 12.52 H new ATOM 0 HB3 TYR A 7 2.152 -11.434 6.656 1.00 12.52 H new ATOM 0 HD1 TYR A 7 0.471 -12.924 7.805 1.00 42.12 H new ATOM 0 HD2 TYR A 7 4.616 -13.921 7.682 1.00 74.31 H new ATOM 0 HE1 TYR A 7 0.142 -14.513 9.644 1.00 11.15 H new ATOM 0 HE2 TYR A 7 4.284 -15.509 9.526 1.00 43.10 H new ATOM 0 HH TYR A 7 2.865 -16.419 10.952 1.00 10.54 H new ATOM 110 N LYS A 8 4.082 -13.562 3.426 1.00 21.41 N ATOM 111 CA LYS A 8 4.995 -14.510 2.836 1.00 50.21 C ATOM 112 C LYS A 8 6.208 -13.771 2.326 1.00 22.02 C ATOM 113 O LYS A 8 6.060 -12.892 1.504 1.00 3.11 O ATOM 114 CB LYS A 8 4.303 -15.160 1.639 1.00 2.34 C ATOM 115 CG LYS A 8 5.045 -16.331 1.012 1.00 31.02 C ATOM 116 CD LYS A 8 4.424 -16.739 -0.330 1.00 51.31 C ATOM 117 CE LYS A 8 4.553 -15.625 -1.389 1.00 53.50 C ATOM 118 NZ LYS A 8 5.967 -15.332 -1.746 1.00 70.23 N ATOM 0 H LYS A 8 3.998 -12.678 2.924 1.00 21.41 H new ATOM 0 HA LYS A 8 5.287 -15.257 3.574 1.00 50.21 H new ATOM 0 HB2 LYS A 8 3.317 -15.503 1.953 1.00 2.34 H new ATOM 0 HB3 LYS A 8 4.147 -14.399 0.874 1.00 2.34 H new ATOM 0 HG2 LYS A 8 6.091 -16.062 0.863 1.00 31.02 H new ATOM 0 HG3 LYS A 8 5.028 -17.181 1.695 1.00 31.02 H new ATOM 0 HD2 LYS A 8 4.911 -17.644 -0.694 1.00 51.31 H new ATOM 0 HD3 LYS A 8 3.371 -16.980 -0.184 1.00 51.31 H new ATOM 0 HE2 LYS A 8 4.009 -15.919 -2.287 1.00 53.50 H new ATOM 0 HE3 LYS A 8 4.082 -14.717 -1.014 1.00 53.50 H new ATOM 0 HZ1 LYS A 8 6.181 -14.338 -1.528 1.00 70.23 H new ATOM 0 HZ2 LYS A 8 6.599 -15.951 -1.198 1.00 70.23 H new ATOM 0 HZ3 LYS A 8 6.111 -15.502 -2.762 1.00 70.23 H new ATOM 132 N ASP A 9 7.388 -14.104 2.860 1.00 11.42 N ATOM 133 CA ASP A 9 8.708 -13.583 2.374 1.00 64.33 C ATOM 134 C ASP A 9 8.781 -12.068 2.155 1.00 72.11 C ATOM 135 O ASP A 9 9.467 -11.591 1.279 1.00 40.33 O ATOM 136 CB ASP A 9 9.287 -14.390 1.165 1.00 24.42 C ATOM 137 CG ASP A 9 8.317 -14.678 0.036 1.00 63.20 C ATOM 138 OD1 ASP A 9 7.971 -13.793 -0.764 1.00 33.32 O ATOM 139 OD2 ASP A 9 7.856 -15.836 -0.066 1.00 32.33 O ATOM 0 H ASP A 9 7.474 -14.746 3.648 1.00 11.42 H new ATOM 0 HA ASP A 9 9.370 -13.763 3.221 1.00 64.33 H new ATOM 0 HB2 ASP A 9 10.135 -13.839 0.758 1.00 24.42 H new ATOM 0 HB3 ASP A 9 9.673 -15.339 1.538 1.00 24.42 H new ATOM 144 N GLY A 10 8.132 -11.317 3.031 1.00 64.44 N ATOM 145 CA GLY A 10 8.180 -9.870 2.938 1.00 24.33 C ATOM 146 C GLY A 10 6.974 -9.290 2.227 1.00 34.25 C ATOM 147 O GLY A 10 6.674 -8.107 2.369 1.00 51.24 O ATOM 0 H GLY A 10 7.574 -11.681 3.803 1.00 64.44 H new ATOM 0 HA2 GLY A 10 8.244 -9.447 3.941 1.00 24.33 H new ATOM 0 HA3 GLY A 10 9.086 -9.574 2.409 1.00 24.33 H new ATOM 151 N TYR A 11 6.289 -10.117 1.508 1.00 41.33 N ATOM 152 CA TYR A 11 5.076 -9.770 0.782 1.00 12.31 C ATOM 153 C TYR A 11 3.855 -9.986 1.696 1.00 60.40 C ATOM 154 O TYR A 11 3.697 -11.050 2.306 1.00 43.02 O ATOM 155 CB TYR A 11 5.010 -10.640 -0.493 1.00 41.43 C ATOM 156 CG TYR A 11 3.860 -10.376 -1.448 1.00 72.32 C ATOM 157 CD1 TYR A 11 3.728 -9.157 -2.102 1.00 2.43 C ATOM 158 CD2 TYR A 11 2.925 -11.365 -1.719 1.00 51.32 C ATOM 159 CE1 TYR A 11 2.694 -8.931 -2.993 1.00 15.25 C ATOM 160 CE2 TYR A 11 1.894 -11.147 -2.614 1.00 13.14 C ATOM 161 CZ TYR A 11 1.779 -9.935 -3.244 1.00 4.30 C ATOM 162 OH TYR A 11 0.746 -9.724 -4.143 1.00 73.22 O ATOM 0 H TYR A 11 6.556 -11.095 1.395 1.00 41.33 H new ATOM 0 HA TYR A 11 5.078 -8.721 0.485 1.00 12.31 H new ATOM 0 HB2 TYR A 11 5.943 -10.509 -1.041 1.00 41.43 H new ATOM 0 HB3 TYR A 11 4.964 -11.685 -0.188 1.00 41.43 H new ATOM 0 HD1 TYR A 11 4.445 -8.372 -1.911 1.00 2.43 H new ATOM 0 HD2 TYR A 11 3.004 -12.321 -1.223 1.00 51.32 H new ATOM 0 HE1 TYR A 11 2.603 -7.976 -3.489 1.00 15.25 H new ATOM 0 HE2 TYR A 11 1.180 -11.931 -2.817 1.00 13.14 H new ATOM 0 HH TYR A 11 0.194 -10.532 -4.203 1.00 73.22 H new ATOM 172 N TYR A 12 3.038 -8.966 1.828 1.00 30.22 N ATOM 173 CA TYR A 12 1.858 -9.008 2.686 1.00 64.44 C ATOM 174 C TYR A 12 0.622 -8.796 1.856 1.00 70.43 C ATOM 175 O TYR A 12 0.573 -7.892 1.020 1.00 31.24 O ATOM 176 CB TYR A 12 1.930 -7.929 3.772 1.00 21.32 C ATOM 177 CG TYR A 12 0.818 -7.980 4.823 1.00 12.44 C ATOM 178 CD1 TYR A 12 0.926 -8.798 5.942 1.00 44.41 C ATOM 179 CD2 TYR A 12 -0.321 -7.191 4.705 1.00 14.12 C ATOM 180 CE1 TYR A 12 -0.068 -8.829 6.910 1.00 54.11 C ATOM 181 CE2 TYR A 12 -1.317 -7.219 5.665 1.00 30.51 C ATOM 182 CZ TYR A 12 -1.192 -8.033 6.763 1.00 4.32 C ATOM 183 OH TYR A 12 -2.197 -8.053 7.735 1.00 31.23 O ATOM 0 H TYR A 12 3.167 -8.077 1.345 1.00 30.22 H new ATOM 0 HA TYR A 12 1.820 -9.985 3.168 1.00 64.44 H new ATOM 0 HB2 TYR A 12 2.891 -8.012 4.280 1.00 21.32 H new ATOM 0 HB3 TYR A 12 1.907 -6.951 3.291 1.00 21.32 H new ATOM 0 HD1 TYR A 12 1.800 -9.421 6.060 1.00 44.41 H new ATOM 0 HD2 TYR A 12 -0.430 -6.544 3.847 1.00 14.12 H new ATOM 0 HE1 TYR A 12 0.034 -9.470 7.773 1.00 54.11 H new ATOM 0 HE2 TYR A 12 -2.194 -6.599 5.550 1.00 30.51 H new ATOM 0 HH TYR A 12 -2.913 -7.436 7.478 1.00 31.23 H new ATOM 193 N ILE A 13 -0.345 -9.622 2.079 1.00 52.40 N ATOM 194 CA ILE A 13 -1.598 -9.571 1.383 1.00 22.35 C ATOM 195 C ILE A 13 -2.702 -9.300 2.400 1.00 25.22 C ATOM 196 O ILE A 13 -2.670 -9.859 3.510 1.00 14.14 O ATOM 197 CB ILE A 13 -1.866 -10.941 0.704 1.00 60.11 C ATOM 198 CG1 ILE A 13 -0.680 -11.321 -0.189 1.00 2.44 C ATOM 199 CG2 ILE A 13 -3.159 -10.906 -0.105 1.00 42.42 C ATOM 200 CD1 ILE A 13 -0.739 -12.719 -0.760 1.00 4.21 C ATOM 0 H ILE A 13 -0.289 -10.373 2.767 1.00 52.40 H new ATOM 0 HA ILE A 13 -1.574 -8.787 0.626 1.00 22.35 H new ATOM 0 HB ILE A 13 -1.980 -11.697 1.481 1.00 60.11 H new ATOM 0 HG12 ILE A 13 -0.621 -10.609 -1.013 1.00 2.44 H new ATOM 0 HG13 ILE A 13 0.239 -11.218 0.388 1.00 2.44 H new ATOM 0 HG21 ILE A 13 -3.323 -11.878 -0.570 1.00 42.42 H new ATOM 0 HG22 ILE A 13 -3.995 -10.674 0.555 1.00 42.42 H new ATOM 0 HG23 ILE A 13 -3.084 -10.142 -0.878 1.00 42.42 H new ATOM 0 HD11 ILE A 13 0.141 -12.897 -1.378 1.00 4.21 H new ATOM 0 HD12 ILE A 13 -0.764 -13.444 0.054 1.00 4.21 H new ATOM 0 HD13 ILE A 13 -1.637 -12.826 -1.369 1.00 4.21 H new ATOM 212 N THR A 14 -3.621 -8.412 2.066 1.00 40.25 N ATOM 213 CA THR A 14 -4.773 -8.167 2.892 1.00 41.25 C ATOM 214 C THR A 14 -5.882 -7.508 2.082 1.00 2.13 C ATOM 215 O THR A 14 -5.615 -6.745 1.153 1.00 24.23 O ATOM 216 CB THR A 14 -4.430 -7.283 4.125 1.00 52.33 C ATOM 217 OG1 THR A 14 -5.597 -7.109 4.959 1.00 41.04 O ATOM 218 CG2 THR A 14 -3.901 -5.914 3.704 1.00 71.11 C ATOM 0 H THR A 14 -3.584 -7.847 1.218 1.00 40.25 H new ATOM 0 HA THR A 14 -5.115 -9.135 3.257 1.00 41.25 H new ATOM 0 HB THR A 14 -3.650 -7.796 4.687 1.00 52.33 H new ATOM 0 HG1 THR A 14 -5.367 -6.552 5.732 1.00 41.04 H new ATOM 0 HG21 THR A 14 -3.672 -5.324 4.591 1.00 71.11 H new ATOM 0 HG22 THR A 14 -2.997 -6.041 3.109 1.00 71.11 H new ATOM 0 HG23 THR A 14 -4.656 -5.399 3.111 1.00 71.11 H new ATOM 226 N THR A 15 -7.104 -7.831 2.400 1.00 42.10 N ATOM 227 CA THR A 15 -8.226 -7.188 1.790 1.00 14.20 C ATOM 228 C THR A 15 -8.714 -6.069 2.719 1.00 41.20 C ATOM 229 O THR A 15 -8.632 -6.196 3.947 1.00 54.41 O ATOM 230 CB THR A 15 -9.392 -8.177 1.580 1.00 25.01 C ATOM 231 OG1 THR A 15 -8.883 -9.455 1.142 1.00 50.51 O ATOM 232 CG2 THR A 15 -10.340 -7.638 0.513 1.00 44.55 C ATOM 0 H THR A 15 -7.346 -8.545 3.087 1.00 42.10 H new ATOM 0 HA THR A 15 -7.914 -6.798 0.821 1.00 14.20 H new ATOM 0 HB THR A 15 -9.923 -8.296 2.525 1.00 25.01 H new ATOM 0 HG1 THR A 15 -9.629 -10.077 1.013 1.00 50.51 H new ATOM 0 HG21 THR A 15 -11.162 -8.340 0.368 1.00 44.55 H new ATOM 0 HG22 THR A 15 -10.738 -6.675 0.833 1.00 44.55 H new ATOM 0 HG23 THR A 15 -9.799 -7.514 -0.425 1.00 44.55 H new ATOM 240 N LEU A 16 -9.109 -4.972 2.139 1.00 2.24 N ATOM 241 CA LEU A 16 -9.753 -3.887 2.834 1.00 52.44 C ATOM 242 C LEU A 16 -11.116 -3.728 2.214 1.00 23.10 C ATOM 243 O LEU A 16 -11.218 -3.519 1.000 1.00 21.41 O ATOM 244 CB LEU A 16 -8.982 -2.549 2.661 1.00 11.20 C ATOM 245 CG LEU A 16 -7.747 -2.272 3.550 1.00 41.21 C ATOM 246 CD1 LEU A 16 -8.116 -2.260 5.027 1.00 11.14 C ATOM 247 CD2 LEU A 16 -6.609 -3.243 3.272 1.00 33.11 C ATOM 0 H LEU A 16 -8.990 -4.800 1.141 1.00 2.24 H new ATOM 0 HA LEU A 16 -9.793 -4.113 3.900 1.00 52.44 H new ATOM 0 HB2 LEU A 16 -8.659 -2.488 1.622 1.00 11.20 H new ATOM 0 HB3 LEU A 16 -9.692 -1.738 2.822 1.00 11.20 H new ATOM 0 HG LEU A 16 -7.387 -1.277 3.289 1.00 41.21 H new ATOM 0 HD11 LEU A 16 -7.225 -2.063 5.623 1.00 11.14 H new ATOM 0 HD12 LEU A 16 -8.856 -1.481 5.211 1.00 11.14 H new ATOM 0 HD13 LEU A 16 -8.532 -3.228 5.306 1.00 11.14 H new ATOM 0 HD21 LEU A 16 -5.764 -3.009 3.920 1.00 33.11 H new ATOM 0 HD22 LEU A 16 -6.944 -4.262 3.467 1.00 33.11 H new ATOM 0 HD23 LEU A 16 -6.302 -3.155 2.230 1.00 33.11 H new ATOM 259 N ASN A 17 -12.161 -3.828 2.990 1.00 51.32 N ATOM 260 CA ASN A 17 -13.481 -3.660 2.418 1.00 50.11 C ATOM 261 C ASN A 17 -13.874 -2.214 2.419 1.00 52.04 C ATOM 262 O ASN A 17 -14.604 -1.754 3.291 1.00 4.31 O ATOM 263 CB ASN A 17 -14.580 -4.505 3.075 1.00 20.04 C ATOM 264 CG ASN A 17 -14.339 -6.000 3.025 1.00 21.41 C ATOM 265 OD1 ASN A 17 -13.903 -6.600 4.007 1.00 5.31 O ATOM 266 ND2 ASN A 17 -14.617 -6.621 1.901 1.00 55.35 N ATOM 0 H ASN A 17 -12.135 -4.019 3.992 1.00 51.32 H new ATOM 0 HA ASN A 17 -13.398 -4.030 1.396 1.00 50.11 H new ATOM 0 HB2 ASN A 17 -14.680 -4.201 4.117 1.00 20.04 H new ATOM 0 HB3 ASN A 17 -15.529 -4.286 2.586 1.00 20.04 H new ATOM 0 HD21 ASN A 17 -14.473 -7.628 1.825 1.00 55.35 H new ATOM 0 HD22 ASN A 17 -14.977 -6.096 1.104 1.00 55.35 H new ATOM 273 N TYR A 18 -13.298 -1.493 1.500 1.00 13.21 N ATOM 274 CA TYR A 18 -13.573 -0.098 1.287 1.00 53.00 C ATOM 275 C TYR A 18 -13.482 0.143 -0.193 1.00 50.43 C ATOM 276 O TYR A 18 -12.853 -0.660 -0.913 1.00 10.03 O ATOM 277 CB TYR A 18 -12.573 0.823 2.026 1.00 63.35 C ATOM 278 CG TYR A 18 -12.594 0.722 3.541 1.00 1.40 C ATOM 279 CD1 TYR A 18 -13.617 1.297 4.283 1.00 50.21 C ATOM 280 CD2 TYR A 18 -11.591 0.050 4.224 1.00 23.24 C ATOM 281 CE1 TYR A 18 -13.637 1.205 5.662 1.00 71.41 C ATOM 282 CE2 TYR A 18 -11.603 -0.049 5.599 1.00 53.30 C ATOM 283 CZ TYR A 18 -12.627 0.528 6.313 1.00 52.03 C ATOM 284 OH TYR A 18 -12.640 0.431 7.686 1.00 22.42 O ATOM 0 H TYR A 18 -12.602 -1.871 0.857 1.00 13.21 H new ATOM 0 HA TYR A 18 -14.561 0.138 1.682 1.00 53.00 H new ATOM 0 HB2 TYR A 18 -11.566 0.593 1.677 1.00 63.35 H new ATOM 0 HB3 TYR A 18 -12.779 1.856 1.744 1.00 63.35 H new ATOM 0 HD1 TYR A 18 -14.410 1.825 3.774 1.00 50.21 H new ATOM 0 HD2 TYR A 18 -10.785 -0.405 3.668 1.00 23.24 H new ATOM 0 HE1 TYR A 18 -14.438 1.660 6.226 1.00 71.41 H new ATOM 0 HE2 TYR A 18 -10.813 -0.577 6.112 1.00 53.30 H new ATOM 0 HH TYR A 18 -11.858 -0.079 7.985 1.00 22.42 H new ATOM 294 N ASN A 19 -14.055 1.236 -0.647 1.00 61.10 N ATOM 295 CA ASN A 19 -14.105 1.557 -2.054 1.00 13.11 C ATOM 296 C ASN A 19 -12.710 1.837 -2.551 1.00 11.30 C ATOM 297 O ASN A 19 -11.965 2.588 -1.916 1.00 23.44 O ATOM 298 CB ASN A 19 -14.967 2.801 -2.294 1.00 34.32 C ATOM 299 CG ASN A 19 -16.331 2.738 -1.641 1.00 31.01 C ATOM 300 OD1 ASN A 19 -16.488 3.155 -0.507 1.00 31.22 O ATOM 301 ND2 ASN A 19 -17.314 2.220 -2.330 1.00 51.44 N ATOM 0 H ASN A 19 -14.501 1.930 -0.047 1.00 61.10 H new ATOM 0 HA ASN A 19 -14.539 0.711 -2.587 1.00 13.11 H new ATOM 0 HB2 ASN A 19 -14.436 3.676 -1.920 1.00 34.32 H new ATOM 0 HB3 ASN A 19 -15.095 2.941 -3.367 1.00 34.32 H new ATOM 0 HD21 ASN A 19 -18.246 2.156 -1.920 1.00 51.44 H new ATOM 0 HD22 ASN A 19 -17.149 1.880 -3.277 1.00 51.44 H new ATOM 308 N PHE A 20 -12.388 1.281 -3.705 1.00 44.51 N ATOM 309 CA PHE A 20 -11.059 1.366 -4.311 1.00 70.23 C ATOM 310 C PHE A 20 -10.494 2.782 -4.332 1.00 53.14 C ATOM 311 O PHE A 20 -9.365 3.019 -3.918 1.00 24.00 O ATOM 312 CB PHE A 20 -11.149 0.784 -5.725 1.00 12.12 C ATOM 313 CG PHE A 20 -12.134 1.472 -6.678 1.00 73.14 C ATOM 314 CD1 PHE A 20 -13.497 1.197 -6.616 1.00 13.13 C ATOM 315 CD2 PHE A 20 -11.689 2.363 -7.638 1.00 31.04 C ATOM 316 CE1 PHE A 20 -14.383 1.804 -7.482 1.00 72.34 C ATOM 317 CE2 PHE A 20 -12.570 2.975 -8.506 1.00 71.32 C ATOM 318 CZ PHE A 20 -13.919 2.694 -8.429 1.00 24.04 C ATOM 0 H PHE A 20 -13.052 0.745 -4.264 1.00 44.51 H new ATOM 0 HA PHE A 20 -10.362 0.793 -3.700 1.00 70.23 H new ATOM 0 HB2 PHE A 20 -10.156 0.819 -6.174 1.00 12.12 H new ATOM 0 HB3 PHE A 20 -11.426 -0.267 -5.646 1.00 12.12 H new ATOM 0 HD1 PHE A 20 -13.866 0.499 -5.880 1.00 13.13 H new ATOM 0 HD2 PHE A 20 -10.634 2.583 -7.709 1.00 31.04 H new ATOM 0 HE1 PHE A 20 -15.438 1.583 -7.419 1.00 72.34 H new ATOM 0 HE2 PHE A 20 -12.204 3.673 -9.245 1.00 71.32 H new ATOM 0 HZ PHE A 20 -14.610 3.170 -9.109 1.00 24.04 H new ATOM 328 N ASN A 21 -11.320 3.701 -4.739 1.00 14.11 N ATOM 329 CA ASN A 21 -10.943 5.116 -4.881 1.00 53.12 C ATOM 330 C ASN A 21 -10.409 5.727 -3.575 1.00 34.44 C ATOM 331 O ASN A 21 -9.359 6.370 -3.569 1.00 10.32 O ATOM 332 CB ASN A 21 -12.128 5.939 -5.419 1.00 33.04 C ATOM 333 CG ASN A 21 -11.787 7.412 -5.637 1.00 21.21 C ATOM 334 OD1 ASN A 21 -11.295 7.786 -6.680 1.00 33.30 O ATOM 335 ND2 ASN A 21 -12.092 8.254 -4.673 1.00 12.30 N ATOM 0 H ASN A 21 -12.290 3.508 -4.990 1.00 14.11 H new ATOM 0 HA ASN A 21 -10.125 5.152 -5.600 1.00 53.12 H new ATOM 0 HB2 ASN A 21 -12.464 5.507 -6.362 1.00 33.04 H new ATOM 0 HB3 ASN A 21 -12.961 5.865 -4.720 1.00 33.04 H new ATOM 0 HD21 ASN A 21 -11.915 9.251 -4.792 1.00 12.30 H new ATOM 0 HD22 ASN A 21 -12.505 7.909 -3.806 1.00 12.30 H new ATOM 342 N THR A 22 -11.102 5.491 -2.465 1.00 43.32 N ATOM 343 CA THR A 22 -10.679 6.064 -1.200 1.00 3.23 C ATOM 344 C THR A 22 -9.388 5.403 -0.699 1.00 61.12 C ATOM 345 O THR A 22 -8.521 6.071 -0.124 1.00 54.10 O ATOM 346 CB THR A 22 -11.805 6.091 -0.096 1.00 33.51 C ATOM 347 OG1 THR A 22 -11.353 6.801 1.060 1.00 53.42 O ATOM 348 CG2 THR A 22 -12.243 4.694 0.326 1.00 13.24 C ATOM 0 H THR A 22 -11.944 4.917 -2.419 1.00 43.32 H new ATOM 0 HA THR A 22 -10.466 7.114 -1.401 1.00 3.23 H new ATOM 0 HB THR A 22 -12.662 6.596 -0.541 1.00 33.51 H new ATOM 0 HG1 THR A 22 -12.063 6.811 1.736 1.00 53.42 H new ATOM 0 HG21 THR A 22 -13.019 4.771 1.087 1.00 13.24 H new ATOM 0 HG22 THR A 22 -12.635 4.159 -0.539 1.00 13.24 H new ATOM 0 HG23 THR A 22 -11.389 4.152 0.732 1.00 13.24 H new ATOM 356 N VAL A 23 -9.259 4.106 -0.943 1.00 15.34 N ATOM 357 CA VAL A 23 -8.098 3.354 -0.507 1.00 74.41 C ATOM 358 C VAL A 23 -6.832 3.812 -1.254 1.00 74.24 C ATOM 359 O VAL A 23 -5.759 3.937 -0.643 1.00 42.02 O ATOM 360 CB VAL A 23 -8.305 1.831 -0.685 1.00 52.22 C ATOM 361 CG1 VAL A 23 -7.117 1.062 -0.149 1.00 12.54 C ATOM 362 CG2 VAL A 23 -9.574 1.377 0.014 1.00 51.22 C ATOM 0 H VAL A 23 -9.953 3.552 -1.445 1.00 15.34 H new ATOM 0 HA VAL A 23 -7.966 3.553 0.557 1.00 74.41 H new ATOM 0 HB VAL A 23 -8.400 1.628 -1.752 1.00 52.22 H new ATOM 0 HG11 VAL A 23 -7.284 -0.007 -0.284 1.00 12.54 H new ATOM 0 HG12 VAL A 23 -6.218 1.360 -0.688 1.00 12.54 H new ATOM 0 HG13 VAL A 23 -6.992 1.278 0.912 1.00 12.54 H new ATOM 0 HG21 VAL A 23 -9.701 0.303 -0.123 1.00 51.22 H new ATOM 0 HG22 VAL A 23 -9.503 1.601 1.078 1.00 51.22 H new ATOM 0 HG23 VAL A 23 -10.431 1.901 -0.410 1.00 51.22 H new ATOM 372 N TYR A 24 -6.965 4.089 -2.563 1.00 61.24 N ATOM 373 CA TYR A 24 -5.843 4.577 -3.356 1.00 12.01 C ATOM 374 C TYR A 24 -5.338 5.885 -2.768 1.00 20.33 C ATOM 375 O TYR A 24 -4.138 6.080 -2.583 1.00 2.12 O ATOM 376 CB TYR A 24 -6.251 4.844 -4.807 1.00 71.30 C ATOM 377 CG TYR A 24 -6.797 3.675 -5.601 1.00 21.24 C ATOM 378 CD1 TYR A 24 -6.448 2.355 -5.322 1.00 3.34 C ATOM 379 CD2 TYR A 24 -7.672 3.906 -6.644 1.00 54.53 C ATOM 380 CE1 TYR A 24 -6.965 1.310 -6.067 1.00 55.54 C ATOM 381 CE2 TYR A 24 -8.188 2.877 -7.385 1.00 60.15 C ATOM 382 CZ TYR A 24 -7.837 1.581 -7.097 1.00 70.22 C ATOM 383 OH TYR A 24 -8.359 0.557 -7.847 1.00 34.31 O ATOM 0 H TYR A 24 -7.836 3.981 -3.084 1.00 61.24 H new ATOM 0 HA TYR A 24 -5.070 3.809 -3.337 1.00 12.01 H new ATOM 0 HB2 TYR A 24 -7.004 5.632 -4.806 1.00 71.30 H new ATOM 0 HB3 TYR A 24 -5.381 5.234 -5.336 1.00 71.30 H new ATOM 0 HD1 TYR A 24 -5.764 2.145 -4.513 1.00 3.34 H new ATOM 0 HD2 TYR A 24 -7.956 4.921 -6.880 1.00 54.53 H new ATOM 0 HE1 TYR A 24 -6.687 0.291 -5.842 1.00 55.54 H new ATOM 0 HE2 TYR A 24 -8.871 3.084 -8.196 1.00 60.15 H new ATOM 0 HH TYR A 24 -8.667 0.907 -8.709 1.00 34.31 H new ATOM 393 N ASN A 25 -6.290 6.755 -2.460 1.00 62.31 N ATOM 394 CA ASN A 25 -6.034 8.075 -1.878 1.00 52.25 C ATOM 395 C ASN A 25 -5.236 7.949 -0.592 1.00 52.30 C ATOM 396 O ASN A 25 -4.185 8.584 -0.422 1.00 12.45 O ATOM 397 CB ASN A 25 -7.384 8.720 -1.548 1.00 14.53 C ATOM 398 CG ASN A 25 -7.294 10.075 -0.844 1.00 71.20 C ATOM 399 OD1 ASN A 25 -6.318 10.876 -1.182 1.00 74.22 O flip ATOM 400 ND2 ASN A 25 -8.141 10.397 -0.018 1.00 63.22 N flip ATOM 0 H ASN A 25 -7.281 6.564 -2.608 1.00 62.31 H new ATOM 0 HA ASN A 25 -5.467 8.677 -2.589 1.00 52.25 H new ATOM 0 HB2 ASN A 25 -7.947 8.844 -2.473 1.00 14.53 H new ATOM 0 HB3 ASN A 25 -7.953 8.036 -0.918 1.00 14.53 H new ATOM 0 HD21 ASN A 25 -8.890 9.748 0.224 1.00 63.22 H new ATOM 0 HD22 ASN A 25 -8.096 11.314 0.427 1.00 63.22 H new ATOM 407 N ALA A 26 -5.719 7.093 0.262 1.00 62.21 N ATOM 408 CA ALA A 26 -5.142 6.868 1.571 1.00 25.25 C ATOM 409 C ALA A 26 -3.716 6.322 1.494 1.00 2.21 C ATOM 410 O ALA A 26 -2.809 6.826 2.167 1.00 4.44 O ATOM 411 CB ALA A 26 -6.030 5.934 2.356 1.00 43.04 C ATOM 0 H ALA A 26 -6.540 6.518 0.072 1.00 62.21 H new ATOM 0 HA ALA A 26 -5.078 7.830 2.080 1.00 25.25 H new ATOM 0 HB1 ALA A 26 -5.597 5.763 3.342 1.00 43.04 H new ATOM 0 HB2 ALA A 26 -7.019 6.379 2.466 1.00 43.04 H new ATOM 0 HB3 ALA A 26 -6.116 4.984 1.828 1.00 43.04 H new ATOM 417 N THR A 27 -3.519 5.329 0.652 1.00 43.33 N ATOM 418 CA THR A 27 -2.223 4.702 0.483 1.00 41.31 C ATOM 419 C THR A 27 -1.207 5.695 -0.109 1.00 3.21 C ATOM 420 O THR A 27 -0.045 5.760 0.330 1.00 64.15 O ATOM 421 CB THR A 27 -2.351 3.474 -0.429 1.00 33.24 C ATOM 422 OG1 THR A 27 -3.364 2.600 0.095 1.00 63.51 O ATOM 423 CG2 THR A 27 -1.032 2.724 -0.527 1.00 11.24 C ATOM 0 H THR A 27 -4.253 4.933 0.065 1.00 43.33 H new ATOM 0 HA THR A 27 -1.863 4.387 1.462 1.00 41.31 H new ATOM 0 HB THR A 27 -2.626 3.811 -1.429 1.00 33.24 H new ATOM 0 HG1 THR A 27 -4.250 2.962 -0.117 1.00 63.51 H new ATOM 0 HG21 THR A 27 -1.153 1.859 -1.179 1.00 11.24 H new ATOM 0 HG22 THR A 27 -0.268 3.384 -0.937 1.00 11.24 H new ATOM 0 HG23 THR A 27 -0.729 2.390 0.465 1.00 11.24 H new ATOM 431 N LEU A 28 -1.667 6.491 -1.069 1.00 64.31 N ATOM 432 CA LEU A 28 -0.838 7.486 -1.726 1.00 42.42 C ATOM 433 C LEU A 28 -0.306 8.479 -0.699 1.00 72.53 C ATOM 434 O LEU A 28 0.894 8.711 -0.606 1.00 12.50 O ATOM 435 CB LEU A 28 -1.661 8.232 -2.786 1.00 62.03 C ATOM 436 CG LEU A 28 -0.928 9.314 -3.583 1.00 61.04 C ATOM 437 CD1 LEU A 28 0.146 8.705 -4.477 1.00 13.01 C ATOM 438 CD2 LEU A 28 -1.910 10.134 -4.400 1.00 53.35 C ATOM 0 H LEU A 28 -2.627 6.461 -1.411 1.00 64.31 H new ATOM 0 HA LEU A 28 0.001 6.985 -2.209 1.00 42.42 H new ATOM 0 HB2 LEU A 28 -2.056 7.499 -3.489 1.00 62.03 H new ATOM 0 HB3 LEU A 28 -2.516 8.693 -2.292 1.00 62.03 H new ATOM 0 HG LEU A 28 -0.434 9.978 -2.874 1.00 61.04 H new ATOM 0 HD11 LEU A 28 0.650 9.497 -5.031 1.00 13.01 H new ATOM 0 HD12 LEU A 28 0.872 8.173 -3.862 1.00 13.01 H new ATOM 0 HD13 LEU A 28 -0.315 8.009 -5.178 1.00 13.01 H new ATOM 0 HD21 LEU A 28 -1.369 10.898 -4.959 1.00 53.35 H new ATOM 0 HD22 LEU A 28 -2.439 9.482 -5.095 1.00 53.35 H new ATOM 0 HD23 LEU A 28 -2.628 10.612 -3.733 1.00 53.35 H new ATOM 450 N GLN A 29 -1.204 9.008 0.105 1.00 14.24 N ATOM 451 CA GLN A 29 -0.854 9.979 1.130 1.00 32.33 C ATOM 452 C GLN A 29 0.078 9.408 2.198 1.00 30.42 C ATOM 453 O GLN A 29 0.913 10.133 2.737 1.00 40.33 O ATOM 454 CB GLN A 29 -2.097 10.597 1.763 1.00 53.52 C ATOM 455 CG GLN A 29 -2.909 11.443 0.794 1.00 53.13 C ATOM 456 CD GLN A 29 -4.114 12.121 1.437 1.00 70.32 C ATOM 457 OE1 GLN A 29 -4.030 12.422 2.708 1.00 22.01 O flip ATOM 458 NE2 GLN A 29 -5.113 12.375 0.782 1.00 3.31 N flip ATOM 0 H GLN A 29 -2.198 8.780 0.070 1.00 14.24 H new ATOM 0 HA GLN A 29 -0.301 10.769 0.622 1.00 32.33 H new ATOM 0 HB2 GLN A 29 -2.729 9.801 2.157 1.00 53.52 H new ATOM 0 HB3 GLN A 29 -1.796 11.214 2.609 1.00 53.52 H new ATOM 0 HG2 GLN A 29 -2.262 12.206 0.361 1.00 53.13 H new ATOM 0 HG3 GLN A 29 -3.252 10.812 -0.026 1.00 53.13 H new ATOM 0 HE21 GLN A 29 -5.151 12.129 -0.207 1.00 3.31 H new ATOM 0 HE22 GLN A 29 -5.910 12.833 1.224 1.00 3.31 H new ATOM 467 N ALA A 30 -0.062 8.125 2.495 1.00 1.34 N ATOM 468 CA ALA A 30 0.778 7.456 3.488 1.00 24.14 C ATOM 469 C ALA A 30 2.250 7.513 3.089 1.00 15.24 C ATOM 470 O ALA A 30 3.111 7.890 3.894 1.00 22.35 O ATOM 471 CB ALA A 30 0.334 6.005 3.661 1.00 61.41 C ATOM 0 H ALA A 30 -0.756 7.517 2.060 1.00 1.34 H new ATOM 0 HA ALA A 30 0.664 7.979 4.438 1.00 24.14 H new ATOM 0 HB1 ALA A 30 0.966 5.517 4.403 1.00 61.41 H new ATOM 0 HB2 ALA A 30 -0.703 5.979 3.995 1.00 61.41 H new ATOM 0 HB3 ALA A 30 0.421 5.482 2.709 1.00 61.41 H new ATOM 477 N ILE A 31 2.532 7.192 1.844 1.00 64.24 N ATOM 478 CA ILE A 31 3.905 7.163 1.385 1.00 44.21 C ATOM 479 C ILE A 31 4.394 8.539 0.919 1.00 63.42 C ATOM 480 O ILE A 31 5.454 8.989 1.331 1.00 50.10 O ATOM 481 CB ILE A 31 4.142 6.089 0.273 1.00 42.21 C ATOM 482 CG1 ILE A 31 5.568 6.211 -0.285 1.00 23.10 C ATOM 483 CG2 ILE A 31 3.097 6.173 -0.841 1.00 23.24 C ATOM 484 CD1 ILE A 31 5.881 5.291 -1.431 1.00 61.50 C ATOM 0 H ILE A 31 1.837 6.950 1.138 1.00 64.24 H new ATOM 0 HA ILE A 31 4.499 6.876 2.253 1.00 44.21 H new ATOM 0 HB ILE A 31 4.030 5.105 0.729 1.00 42.21 H new ATOM 0 HG12 ILE A 31 5.729 7.239 -0.609 1.00 23.10 H new ATOM 0 HG13 ILE A 31 6.276 6.017 0.521 1.00 23.10 H new ATOM 0 HG21 ILE A 31 3.302 5.408 -1.590 1.00 23.24 H new ATOM 0 HG22 ILE A 31 2.104 6.013 -0.421 1.00 23.24 H new ATOM 0 HG23 ILE A 31 3.140 7.158 -1.306 1.00 23.24 H new ATOM 0 HD11 ILE A 31 6.909 5.451 -1.756 1.00 61.50 H new ATOM 0 HD12 ILE A 31 5.758 4.256 -1.111 1.00 61.50 H new ATOM 0 HD13 ILE A 31 5.203 5.497 -2.259 1.00 61.50 H new ATOM 496 N GLN A 32 3.570 9.229 0.149 1.00 12.32 N ATOM 497 CA GLN A 32 3.961 10.480 -0.488 1.00 43.43 C ATOM 498 C GLN A 32 4.201 11.602 0.531 1.00 71.13 C ATOM 499 O GLN A 32 5.005 12.497 0.296 1.00 74.10 O ATOM 500 CB GLN A 32 2.898 10.891 -1.510 1.00 13.44 C ATOM 501 CG GLN A 32 3.236 12.117 -2.332 1.00 54.41 C ATOM 502 CD GLN A 32 4.445 11.924 -3.246 1.00 52.14 C ATOM 503 OE1 GLN A 32 4.293 11.510 -4.382 1.00 43.25 O ATOM 504 NE2 GLN A 32 5.628 12.222 -2.754 1.00 73.15 N ATOM 0 H GLN A 32 2.613 8.941 -0.053 1.00 12.32 H new ATOM 0 HA GLN A 32 4.910 10.314 -0.998 1.00 43.43 H new ATOM 0 HB2 GLN A 32 2.725 10.055 -2.188 1.00 13.44 H new ATOM 0 HB3 GLN A 32 1.961 11.073 -0.983 1.00 13.44 H new ATOM 0 HG2 GLN A 32 2.372 12.388 -2.938 1.00 54.41 H new ATOM 0 HG3 GLN A 32 3.428 12.953 -1.660 1.00 54.41 H new ATOM 0 HE21 GLN A 32 5.711 12.566 -1.797 1.00 73.15 H new ATOM 0 HE22 GLN A 32 6.463 12.109 -3.329 1.00 73.15 H new ATOM 513 N ASN A 33 3.522 11.536 1.664 1.00 41.35 N ATOM 514 CA ASN A 33 3.681 12.570 2.690 1.00 45.10 C ATOM 515 C ASN A 33 4.746 12.119 3.700 1.00 62.32 C ATOM 516 O ASN A 33 5.073 12.831 4.637 1.00 61.40 O ATOM 517 CB ASN A 33 2.330 12.821 3.405 1.00 62.30 C ATOM 518 CG ASN A 33 2.278 14.096 4.255 1.00 43.51 C ATOM 519 OD1 ASN A 33 1.900 15.152 3.771 1.00 74.41 O ATOM 520 ND2 ASN A 33 2.637 14.007 5.513 1.00 75.22 N ATOM 0 H ASN A 33 2.864 10.793 1.901 1.00 41.35 H new ATOM 0 HA ASN A 33 4.001 13.502 2.224 1.00 45.10 H new ATOM 0 HB2 ASN A 33 1.541 12.870 2.654 1.00 62.30 H new ATOM 0 HB3 ASN A 33 2.109 11.966 4.044 1.00 62.30 H new ATOM 0 HD21 ASN A 33 2.604 14.832 6.112 1.00 75.22 H new ATOM 0 HD22 ASN A 33 2.949 13.113 5.892 1.00 75.22 H new ATOM 527 N GLY A 34 5.293 10.926 3.469 1.00 71.33 N ATOM 528 CA GLY A 34 6.299 10.362 4.348 1.00 72.14 C ATOM 529 C GLY A 34 5.780 10.136 5.750 1.00 13.25 C ATOM 530 O GLY A 34 6.377 10.592 6.716 1.00 35.42 O ATOM 0 H GLY A 34 5.050 10.334 2.675 1.00 71.33 H new ATOM 0 HA2 GLY A 34 6.648 9.415 3.936 1.00 72.14 H new ATOM 0 HA3 GLY A 34 7.160 11.030 4.386 1.00 72.14 H new ATOM 534 N GLN A 35 4.674 9.408 5.871 1.00 5.33 N ATOM 535 CA GLN A 35 4.075 9.180 7.185 1.00 15.33 C ATOM 536 C GLN A 35 4.740 7.999 7.896 1.00 31.12 C ATOM 537 O GLN A 35 4.371 7.625 9.006 1.00 4.13 O ATOM 538 CB GLN A 35 2.564 8.986 7.076 1.00 62.45 C ATOM 539 CG GLN A 35 1.866 10.116 6.333 1.00 42.52 C ATOM 540 CD GLN A 35 0.360 10.048 6.422 1.00 71.10 C ATOM 541 OE1 GLN A 35 -0.196 9.600 7.403 1.00 51.25 O ATOM 542 NE2 GLN A 35 -0.305 10.455 5.378 1.00 42.30 N ATOM 0 H GLN A 35 4.181 8.972 5.092 1.00 5.33 H new ATOM 0 HA GLN A 35 4.249 10.070 7.791 1.00 15.33 H new ATOM 0 HB2 GLN A 35 2.361 8.045 6.566 1.00 62.45 H new ATOM 0 HB3 GLN A 35 2.142 8.903 8.077 1.00 62.45 H new ATOM 0 HG2 GLN A 35 2.204 11.070 6.736 1.00 42.52 H new ATOM 0 HG3 GLN A 35 2.163 10.090 5.284 1.00 42.52 H new ATOM 0 HE21 GLN A 35 0.193 10.827 4.569 1.00 42.30 H new ATOM 0 HE22 GLN A 35 -1.324 10.402 5.370 1.00 42.30 H new ATOM 551 N THR A 36 5.706 7.424 7.243 1.00 52.53 N ATOM 552 CA THR A 36 6.476 6.369 7.789 1.00 64.32 C ATOM 553 C THR A 36 7.920 6.617 7.351 1.00 21.14 C ATOM 554 O THR A 36 8.161 7.058 6.220 1.00 51.44 O ATOM 555 CB THR A 36 5.942 4.960 7.335 1.00 13.12 C ATOM 556 OG1 THR A 36 6.595 3.903 8.072 1.00 22.51 O ATOM 557 CG2 THR A 36 6.130 4.722 5.833 1.00 2.53 C ATOM 0 H THR A 36 5.979 7.688 6.296 1.00 52.53 H new ATOM 0 HA THR A 36 6.407 6.355 8.877 1.00 64.32 H new ATOM 0 HB THR A 36 4.873 4.950 7.547 1.00 13.12 H new ATOM 0 HG1 THR A 36 6.248 3.035 7.776 1.00 22.51 H new ATOM 0 HG21 THR A 36 5.746 3.736 5.570 1.00 2.53 H new ATOM 0 HG22 THR A 36 5.588 5.484 5.273 1.00 2.53 H new ATOM 0 HG23 THR A 36 7.190 4.776 5.586 1.00 2.53 H new ATOM 565 N PHE A 37 8.859 6.419 8.244 1.00 74.35 N ATOM 566 CA PHE A 37 10.234 6.694 7.927 1.00 5.21 C ATOM 567 C PHE A 37 11.093 5.473 8.140 1.00 40.52 C ATOM 568 O PHE A 37 10.765 4.588 8.958 1.00 4.23 O ATOM 569 CB PHE A 37 10.775 7.906 8.728 1.00 44.22 C ATOM 570 CG PHE A 37 10.785 7.737 10.231 1.00 4.53 C ATOM 571 CD1 PHE A 37 9.666 8.049 10.987 1.00 3.03 C ATOM 572 CD2 PHE A 37 11.923 7.279 10.885 1.00 22.13 C ATOM 573 CE1 PHE A 37 9.678 7.902 12.362 1.00 54.32 C ATOM 574 CE2 PHE A 37 11.939 7.129 12.256 1.00 13.21 C ATOM 575 CZ PHE A 37 10.816 7.442 12.996 1.00 43.02 C ATOM 0 H PHE A 37 8.696 6.071 9.189 1.00 74.35 H new ATOM 0 HA PHE A 37 10.280 6.958 6.870 1.00 5.21 H new ATOM 0 HB2 PHE A 37 11.792 8.115 8.396 1.00 44.22 H new ATOM 0 HB3 PHE A 37 10.173 8.781 8.482 1.00 44.22 H new ATOM 0 HD1 PHE A 37 8.774 8.411 10.497 1.00 3.03 H new ATOM 0 HD2 PHE A 37 12.806 7.037 10.312 1.00 22.13 H new ATOM 0 HE1 PHE A 37 8.799 8.147 12.940 1.00 54.32 H new ATOM 0 HE2 PHE A 37 12.829 6.767 12.750 1.00 13.21 H new ATOM 0 HZ PHE A 37 10.827 7.327 14.070 1.00 43.02 H new ATOM 585 N ASP A 38 12.163 5.413 7.411 1.00 23.43 N ATOM 586 CA ASP A 38 13.082 4.317 7.493 1.00 3.21 C ATOM 587 C ASP A 38 14.278 4.739 8.314 1.00 42.33 C ATOM 588 O ASP A 38 14.630 5.917 8.333 1.00 14.31 O ATOM 589 CB ASP A 38 13.506 3.881 6.084 1.00 4.30 C ATOM 590 CG ASP A 38 14.477 2.734 6.081 1.00 5.41 C ATOM 591 OD1 ASP A 38 14.410 1.887 6.999 1.00 43.31 O ATOM 592 OD2 ASP A 38 15.320 2.669 5.171 1.00 10.34 O ATOM 0 H ASP A 38 12.427 6.130 6.735 1.00 23.43 H new ATOM 0 HA ASP A 38 12.604 3.465 7.977 1.00 3.21 H new ATOM 0 HB2 ASP A 38 12.619 3.598 5.517 1.00 4.30 H new ATOM 0 HB3 ASP A 38 13.956 4.730 5.569 1.00 4.30 H new ATOM 597 N TYR A 39 14.915 3.787 8.954 1.00 63.43 N ATOM 598 CA TYR A 39 16.046 4.055 9.838 1.00 71.41 C ATOM 599 C TYR A 39 17.264 4.493 9.056 1.00 62.31 C ATOM 600 O TYR A 39 18.101 5.218 9.556 1.00 20.04 O ATOM 601 CB TYR A 39 16.347 2.846 10.732 1.00 41.34 C ATOM 602 CG TYR A 39 15.184 2.444 11.620 1.00 14.41 C ATOM 603 CD1 TYR A 39 15.019 3.006 12.880 1.00 62.03 C ATOM 604 CD2 TYR A 39 14.245 1.507 11.193 1.00 62.13 C ATOM 605 CE1 TYR A 39 13.956 2.647 13.689 1.00 30.43 C ATOM 606 CE2 TYR A 39 13.182 1.143 11.996 1.00 3.44 C ATOM 607 CZ TYR A 39 13.041 1.716 13.243 1.00 42.33 C ATOM 608 OH TYR A 39 11.981 1.359 14.042 1.00 24.34 O ATOM 0 H TYR A 39 14.670 2.799 8.882 1.00 63.43 H new ATOM 0 HA TYR A 39 15.771 4.882 10.492 1.00 71.41 H new ATOM 0 HB2 TYR A 39 16.623 1.999 10.103 1.00 41.34 H new ATOM 0 HB3 TYR A 39 17.210 3.073 11.358 1.00 41.34 H new ATOM 0 HD1 TYR A 39 15.733 3.735 13.234 1.00 62.03 H new ATOM 0 HD2 TYR A 39 14.350 1.057 10.217 1.00 62.13 H new ATOM 0 HE1 TYR A 39 13.843 3.094 14.666 1.00 30.43 H new ATOM 0 HE2 TYR A 39 12.465 0.414 11.650 1.00 3.44 H new ATOM 0 HH TYR A 39 11.431 0.694 13.578 1.00 24.34 H new ATOM 618 N LYS A 40 17.346 4.051 7.824 1.00 54.31 N ATOM 619 CA LYS A 40 18.406 4.490 6.946 1.00 0.01 C ATOM 620 C LYS A 40 17.843 5.474 5.931 1.00 65.01 C ATOM 621 O LYS A 40 18.525 5.870 4.996 1.00 35.23 O ATOM 622 CB LYS A 40 19.118 3.304 6.268 1.00 73.31 C ATOM 623 CG LYS A 40 18.169 2.336 5.630 1.00 62.32 C ATOM 624 CD LYS A 40 18.852 1.285 4.794 1.00 41.41 C ATOM 625 CE LYS A 40 17.819 0.315 4.245 1.00 64.20 C ATOM 626 NZ LYS A 40 16.722 1.014 3.540 1.00 1.20 N ATOM 0 H LYS A 40 16.693 3.388 7.406 1.00 54.31 H new ATOM 0 HA LYS A 40 19.167 4.997 7.539 1.00 0.01 H new ATOM 0 HB2 LYS A 40 19.804 3.684 5.511 1.00 73.31 H new ATOM 0 HB3 LYS A 40 19.721 2.778 7.008 1.00 73.31 H new ATOM 0 HG2 LYS A 40 17.585 1.846 6.409 1.00 62.32 H new ATOM 0 HG3 LYS A 40 17.467 2.887 5.004 1.00 62.32 H new ATOM 0 HD2 LYS A 40 19.395 1.755 3.974 1.00 41.41 H new ATOM 0 HD3 LYS A 40 19.585 0.748 5.396 1.00 41.41 H new ATOM 0 HE2 LYS A 40 18.303 -0.382 3.561 1.00 64.20 H new ATOM 0 HE3 LYS A 40 17.406 -0.276 5.063 1.00 64.20 H new ATOM 0 HZ1 LYS A 40 16.094 0.315 3.095 1.00 1.20 H new ATOM 0 HZ2 LYS A 40 16.179 1.583 4.221 1.00 1.20 H new ATOM 0 HZ3 LYS A 40 17.121 1.637 2.809 1.00 1.20 H new ATOM 640 N SER A 41 16.566 5.847 6.148 1.00 50.10 N ATOM 641 CA SER A 41 15.884 6.871 5.370 1.00 54.01 C ATOM 642 C SER A 41 15.842 6.589 3.848 1.00 3.35 C ATOM 643 O SER A 41 16.084 7.482 3.034 1.00 62.23 O ATOM 644 CB SER A 41 16.484 8.231 5.718 1.00 22.12 C ATOM 645 OG SER A 41 16.239 8.537 7.089 1.00 62.53 O ATOM 0 H SER A 41 15.984 5.435 6.877 1.00 50.10 H new ATOM 0 HA SER A 41 14.830 6.864 5.648 1.00 54.01 H new ATOM 0 HB2 SER A 41 17.557 8.224 5.525 1.00 22.12 H new ATOM 0 HB3 SER A 41 16.050 9.002 5.082 1.00 22.12 H new ATOM 0 HG SER A 41 15.789 7.779 7.518 1.00 62.53 H new ATOM 651 N ASN A 42 15.497 5.350 3.483 1.00 44.11 N ATOM 652 CA ASN A 42 15.445 4.949 2.074 1.00 43.24 C ATOM 653 C ASN A 42 14.325 5.726 1.340 1.00 64.23 C ATOM 654 O ASN A 42 13.321 6.089 1.955 1.00 1.10 O ATOM 655 CB ASN A 42 15.232 3.421 1.930 1.00 21.15 C ATOM 656 CG ASN A 42 13.769 2.966 1.879 1.00 60.13 C ATOM 657 OD1 ASN A 42 13.126 2.733 2.905 1.00 14.22 O ATOM 658 ND2 ASN A 42 13.270 2.753 0.683 1.00 0.53 N ATOM 0 H ASN A 42 15.251 4.610 4.141 1.00 44.11 H new ATOM 0 HA ASN A 42 16.404 5.194 1.616 1.00 43.24 H new ATOM 0 HB2 ASN A 42 15.732 3.085 1.021 1.00 21.15 H new ATOM 0 HB3 ASN A 42 15.722 2.922 2.766 1.00 21.15 H new ATOM 0 HD21 ASN A 42 12.324 2.384 0.583 1.00 0.53 H new ATOM 0 HD22 ASN A 42 13.828 2.956 -0.146 1.00 0.53 H new ATOM 665 N PRO A 43 14.535 6.045 0.035 1.00 52.34 N ATOM 666 CA PRO A 43 13.595 6.830 -0.788 1.00 60.12 C ATOM 667 C PRO A 43 12.105 6.452 -0.652 1.00 2.33 C ATOM 668 O PRO A 43 11.657 5.383 -1.092 1.00 22.34 O ATOM 669 CB PRO A 43 14.077 6.571 -2.213 1.00 63.20 C ATOM 670 CG PRO A 43 15.540 6.370 -2.071 1.00 12.41 C ATOM 671 CD PRO A 43 15.739 5.668 -0.753 1.00 10.50 C ATOM 0 HA PRO A 43 13.609 7.873 -0.471 1.00 60.12 H new ATOM 0 HB2 PRO A 43 13.594 5.694 -2.643 1.00 63.20 H new ATOM 0 HB3 PRO A 43 13.852 7.412 -2.869 1.00 63.20 H new ATOM 0 HG2 PRO A 43 15.933 5.773 -2.894 1.00 12.41 H new ATOM 0 HG3 PRO A 43 16.068 7.323 -2.088 1.00 12.41 H new ATOM 0 HD2 PRO A 43 15.811 4.588 -0.882 1.00 10.50 H new ATOM 0 HD3 PRO A 43 16.656 5.992 -0.262 1.00 10.50 H new ATOM 679 N TYR A 44 11.364 7.336 -0.009 1.00 35.21 N ATOM 680 CA TYR A 44 9.921 7.208 0.115 1.00 70.34 C ATOM 681 C TYR A 44 9.207 7.998 -0.934 1.00 30.31 C ATOM 682 O TYR A 44 7.999 7.941 -1.033 1.00 54.52 O ATOM 683 CB TYR A 44 9.405 7.582 1.496 1.00 44.15 C ATOM 684 CG TYR A 44 9.666 6.527 2.515 1.00 51.41 C ATOM 685 CD1 TYR A 44 8.949 5.340 2.486 1.00 34.11 C ATOM 686 CD2 TYR A 44 10.610 6.701 3.501 1.00 71.43 C ATOM 687 CE1 TYR A 44 9.173 4.358 3.409 1.00 52.32 C ATOM 688 CE2 TYR A 44 10.840 5.721 4.428 1.00 52.33 C ATOM 689 CZ TYR A 44 10.119 4.552 4.376 1.00 30.20 C ATOM 690 OH TYR A 44 10.344 3.578 5.297 1.00 11.15 O ATOM 0 H TYR A 44 11.746 8.166 0.444 1.00 35.21 H new ATOM 0 HA TYR A 44 9.706 6.150 -0.033 1.00 70.34 H new ATOM 0 HB2 TYR A 44 9.875 8.513 1.815 1.00 44.15 H new ATOM 0 HB3 TYR A 44 8.333 7.769 1.440 1.00 44.15 H new ATOM 0 HD1 TYR A 44 8.201 5.190 1.721 1.00 34.11 H new ATOM 0 HD2 TYR A 44 11.175 7.620 3.544 1.00 71.43 H new ATOM 0 HE1 TYR A 44 8.608 3.438 3.375 1.00 52.32 H new ATOM 0 HE2 TYR A 44 11.585 5.865 5.197 1.00 52.33 H new ATOM 0 HH TYR A 44 10.733 2.794 4.856 1.00 11.15 H new ATOM 700 N ASP A 45 9.943 8.742 -1.708 1.00 55.13 N ATOM 701 CA ASP A 45 9.313 9.514 -2.741 1.00 73.31 C ATOM 702 C ASP A 45 9.063 8.607 -3.914 1.00 2.22 C ATOM 703 O ASP A 45 9.926 7.780 -4.283 1.00 61.34 O ATOM 704 CB ASP A 45 10.112 10.744 -3.132 1.00 21.03 C ATOM 705 CG ASP A 45 9.355 11.581 -4.139 1.00 3.11 C ATOM 706 OD1 ASP A 45 8.144 11.851 -3.897 1.00 14.42 O ATOM 707 OD2 ASP A 45 9.941 11.931 -5.164 1.00 62.15 O ATOM 0 H ASP A 45 10.957 8.831 -1.648 1.00 55.13 H new ATOM 0 HA ASP A 45 8.368 9.905 -2.365 1.00 73.31 H new ATOM 0 HB2 ASP A 45 10.327 11.340 -2.245 1.00 21.03 H new ATOM 0 HB3 ASP A 45 11.071 10.441 -3.552 1.00 21.03 H new ATOM 712 N ILE A 46 7.894 8.727 -4.451 1.00 73.35 N ATOM 713 CA ILE A 46 7.366 7.802 -5.415 1.00 14.24 C ATOM 714 C ILE A 46 8.128 7.832 -6.720 1.00 51.14 C ATOM 715 O ILE A 46 8.152 8.826 -7.423 1.00 44.22 O ATOM 716 CB ILE A 46 5.865 8.059 -5.625 1.00 21.33 C ATOM 717 CG1 ILE A 46 5.167 7.979 -4.264 1.00 1.21 C ATOM 718 CG2 ILE A 46 5.270 7.043 -6.599 1.00 13.33 C ATOM 719 CD1 ILE A 46 3.700 8.277 -4.300 1.00 30.34 C ATOM 0 H ILE A 46 7.257 9.492 -4.229 1.00 73.35 H new ATOM 0 HA ILE A 46 7.493 6.795 -5.017 1.00 14.24 H new ATOM 0 HB ILE A 46 5.718 9.048 -6.059 1.00 21.33 H new ATOM 0 HG12 ILE A 46 5.312 6.980 -3.854 1.00 1.21 H new ATOM 0 HG13 ILE A 46 5.650 8.677 -3.581 1.00 1.21 H new ATOM 0 HG21 ILE A 46 4.207 7.245 -6.732 1.00 13.33 H new ATOM 0 HG22 ILE A 46 5.777 7.121 -7.561 1.00 13.33 H new ATOM 0 HG23 ILE A 46 5.401 6.037 -6.200 1.00 13.33 H new ATOM 0 HD11 ILE A 46 3.288 8.197 -3.294 1.00 30.34 H new ATOM 0 HD12 ILE A 46 3.543 9.287 -4.677 1.00 30.34 H new ATOM 0 HD13 ILE A 46 3.200 7.563 -4.955 1.00 30.34 H new ATOM 731 N SER A 47 8.705 6.707 -7.058 1.00 1.23 N ATOM 732 CA SER A 47 9.518 6.623 -8.218 1.00 11.44 C ATOM 733 C SER A 47 8.668 6.149 -9.404 1.00 53.42 C ATOM 734 O SER A 47 8.923 6.521 -10.544 1.00 5.03 O ATOM 735 CB SER A 47 10.629 5.624 -7.924 1.00 12.23 C ATOM 736 OG SER A 47 11.171 5.862 -6.619 1.00 12.30 O ATOM 0 H SER A 47 8.618 5.836 -6.534 1.00 1.23 H new ATOM 0 HA SER A 47 9.944 7.594 -8.472 1.00 11.44 H new ATOM 0 HB2 SER A 47 10.240 4.607 -7.985 1.00 12.23 H new ATOM 0 HB3 SER A 47 11.415 5.711 -8.674 1.00 12.23 H new ATOM 0 HG SER A 47 12.144 5.751 -6.644 1.00 12.30 H new ATOM 742 N VAL A 48 7.634 5.340 -9.132 1.00 34.34 N ATOM 743 CA VAL A 48 6.691 4.951 -10.171 1.00 1.34 C ATOM 744 C VAL A 48 5.289 4.919 -9.563 1.00 3.52 C ATOM 745 O VAL A 48 5.076 4.309 -8.517 1.00 10.43 O ATOM 746 CB VAL A 48 6.982 3.513 -10.733 1.00 20.05 C ATOM 747 CG1 VAL A 48 6.116 3.220 -11.948 1.00 23.44 C ATOM 748 CG2 VAL A 48 8.457 3.292 -11.065 1.00 35.30 C ATOM 0 H VAL A 48 7.437 4.950 -8.210 1.00 34.34 H new ATOM 0 HA VAL A 48 6.782 5.672 -10.983 1.00 1.34 H new ATOM 0 HB VAL A 48 6.727 2.814 -9.936 1.00 20.05 H new ATOM 0 HG11 VAL A 48 6.336 2.219 -12.319 1.00 23.44 H new ATOM 0 HG12 VAL A 48 5.064 3.280 -11.668 1.00 23.44 H new ATOM 0 HG13 VAL A 48 6.326 3.950 -12.729 1.00 23.44 H new ATOM 0 HG21 VAL A 48 8.596 2.281 -11.449 1.00 35.30 H new ATOM 0 HG22 VAL A 48 8.772 4.013 -11.819 1.00 35.30 H new ATOM 0 HG23 VAL A 48 9.056 3.424 -10.164 1.00 35.30 H new ATOM 758 N ASN A 49 4.368 5.568 -10.200 1.00 61.33 N ATOM 759 CA ASN A 49 2.959 5.537 -9.822 1.00 60.23 C ATOM 760 C ASN A 49 2.106 4.962 -10.960 1.00 43.53 C ATOM 761 O ASN A 49 2.262 5.405 -12.099 1.00 62.32 O ATOM 762 CB ASN A 49 2.487 6.956 -9.427 1.00 3.23 C ATOM 763 CG ASN A 49 0.978 7.110 -9.391 1.00 21.30 C ATOM 764 OD1 ASN A 49 0.332 6.856 -8.387 1.00 35.01 O ATOM 765 ND2 ASN A 49 0.422 7.551 -10.488 1.00 72.01 N ATOM 0 H ASN A 49 4.560 6.150 -11.015 1.00 61.33 H new ATOM 0 HA ASN A 49 2.838 4.884 -8.958 1.00 60.23 H new ATOM 0 HB2 ASN A 49 2.892 7.204 -8.446 1.00 3.23 H new ATOM 0 HB3 ASN A 49 2.900 7.676 -10.133 1.00 3.23 H new ATOM 0 HD21 ASN A 49 -0.587 7.695 -10.526 1.00 72.01 H new ATOM 0 HD22 ASN A 49 0.997 7.752 -11.306 1.00 72.01 H new ATOM 772 N LYS A 50 1.256 3.973 -10.708 1.00 42.42 N ATOM 773 CA LYS A 50 0.291 3.599 -11.740 1.00 12.42 C ATOM 774 C LYS A 50 -1.103 3.801 -11.142 1.00 72.23 C ATOM 775 O LYS A 50 -1.329 3.421 -9.987 1.00 74.10 O ATOM 776 CB LYS A 50 0.415 2.087 -12.107 1.00 21.43 C ATOM 777 CG LYS A 50 1.812 1.542 -12.474 1.00 23.30 C ATOM 778 CD LYS A 50 2.722 1.345 -11.255 1.00 3.24 C ATOM 779 CE LYS A 50 3.921 0.442 -11.554 1.00 45.31 C ATOM 780 NZ LYS A 50 3.524 -0.967 -11.844 1.00 23.12 N ATOM 0 H LYS A 50 1.211 3.436 -9.842 1.00 42.42 H new ATOM 0 HA LYS A 50 0.468 4.200 -12.632 1.00 12.42 H new ATOM 0 HB2 LYS A 50 0.042 1.507 -11.263 1.00 21.43 H new ATOM 0 HB3 LYS A 50 -0.251 1.892 -12.948 1.00 21.43 H new ATOM 0 HG2 LYS A 50 1.699 0.590 -12.993 1.00 23.30 H new ATOM 0 HG3 LYS A 50 2.292 2.230 -13.170 1.00 23.30 H new ATOM 0 HD2 LYS A 50 3.080 2.316 -10.913 1.00 3.24 H new ATOM 0 HD3 LYS A 50 2.142 0.914 -10.439 1.00 3.24 H new ATOM 0 HE2 LYS A 50 4.469 0.843 -12.407 1.00 45.31 H new ATOM 0 HE3 LYS A 50 4.602 0.455 -10.703 1.00 45.31 H new ATOM 0 HZ1 LYS A 50 4.305 -1.606 -11.593 1.00 23.12 H new ATOM 0 HZ2 LYS A 50 2.682 -1.212 -11.285 1.00 23.12 H new ATOM 0 HZ3 LYS A 50 3.308 -1.066 -12.857 1.00 23.12 H new ATOM 794 N ASN A 51 -2.049 4.343 -11.907 1.00 44.12 N ATOM 795 CA ASN A 51 -3.416 4.494 -11.398 1.00 4.13 C ATOM 796 C ASN A 51 -4.458 3.662 -12.103 1.00 12.35 C ATOM 797 O ASN A 51 -4.568 3.745 -13.312 1.00 61.31 O ATOM 798 CB ASN A 51 -3.917 5.936 -11.374 1.00 42.00 C ATOM 799 CG ASN A 51 -3.095 6.878 -10.524 1.00 25.34 C ATOM 800 OD1 ASN A 51 -2.194 7.526 -11.011 1.00 45.01 O ATOM 801 ND2 ASN A 51 -3.402 6.963 -9.246 1.00 51.12 N ATOM 0 H ASN A 51 -1.903 4.678 -12.859 1.00 44.12 H new ATOM 0 HA ASN A 51 -3.305 4.124 -10.379 1.00 4.13 H new ATOM 0 HB2 ASN A 51 -3.938 6.316 -12.396 1.00 42.00 H new ATOM 0 HB3 ASN A 51 -4.944 5.943 -11.010 1.00 42.00 H new ATOM 0 HD21 ASN A 51 -2.875 7.588 -8.635 1.00 51.12 H new ATOM 0 HD22 ASN A 51 -4.166 6.404 -8.867 1.00 51.12 H new ATOM 808 N ASN A 52 -5.149 2.822 -11.341 1.00 74.24 N ATOM 809 CA ASN A 52 -6.458 2.285 -11.620 1.00 45.41 C ATOM 810 C ASN A 52 -6.743 1.974 -13.035 1.00 12.00 C ATOM 811 O ASN A 52 -7.471 2.681 -13.722 1.00 41.44 O ATOM 812 CB ASN A 52 -7.594 3.082 -10.948 1.00 20.20 C ATOM 813 CG ASN A 52 -8.965 2.397 -11.058 1.00 4.51 C ATOM 814 OD1 ASN A 52 -9.311 1.558 -10.233 1.00 72.21 O ATOM 815 ND2 ASN A 52 -9.738 2.751 -12.047 1.00 40.01 N ATOM 0 H ASN A 52 -4.777 2.481 -10.455 1.00 74.24 H new ATOM 0 HA ASN A 52 -6.426 1.305 -11.145 1.00 45.41 H new ATOM 0 HB2 ASN A 52 -7.352 3.228 -9.895 1.00 20.20 H new ATOM 0 HB3 ASN A 52 -7.652 4.071 -11.402 1.00 20.20 H new ATOM 0 HD21 ASN A 52 -10.660 2.327 -12.151 1.00 40.01 H new ATOM 0 HD22 ASN A 52 -9.421 3.452 -12.717 1.00 40.01 H new ATOM 822 N GLY A 53 -6.085 0.971 -13.494 1.00 42.51 N ATOM 823 CA GLY A 53 -6.514 0.384 -14.713 1.00 54.24 C ATOM 824 C GLY A 53 -7.533 -0.691 -14.345 1.00 50.41 C ATOM 825 O GLY A 53 -8.213 -1.276 -15.172 1.00 4.33 O ATOM 0 H GLY A 53 -5.267 0.547 -13.057 1.00 42.51 H new ATOM 0 HA2 GLY A 53 -6.960 1.133 -15.368 1.00 54.24 H new ATOM 0 HA3 GLY A 53 -5.671 -0.049 -15.252 1.00 54.24 H new ATOM 829 N THR A 54 -7.604 -0.851 -13.029 1.00 63.51 N ATOM 830 CA THR A 54 -8.349 -1.784 -12.245 1.00 64.21 C ATOM 831 C THR A 54 -7.541 -2.002 -10.968 1.00 23.22 C ATOM 832 O THR A 54 -8.051 -2.537 -10.000 1.00 3.21 O ATOM 833 CB THR A 54 -8.601 -3.149 -12.947 1.00 62.22 C ATOM 834 OG1 THR A 54 -9.459 -3.974 -12.120 1.00 31.25 O ATOM 835 CG2 THR A 54 -7.299 -3.909 -13.228 1.00 22.51 C ATOM 0 H THR A 54 -7.060 -0.238 -12.422 1.00 63.51 H new ATOM 0 HA THR A 54 -9.342 -1.374 -12.062 1.00 64.21 H new ATOM 0 HB THR A 54 -9.079 -2.936 -13.903 1.00 62.22 H new ATOM 0 HG1 THR A 54 -9.617 -4.832 -12.566 1.00 31.25 H new ATOM 0 HG21 THR A 54 -7.528 -4.855 -13.719 1.00 22.51 H new ATOM 0 HG22 THR A 54 -6.660 -3.309 -13.877 1.00 22.51 H new ATOM 0 HG23 THR A 54 -6.781 -4.104 -12.289 1.00 22.51 H new ATOM 843 N ASP A 55 -6.274 -1.538 -10.974 1.00 25.31 N ATOM 844 CA ASP A 55 -5.383 -1.689 -9.876 1.00 64.24 C ATOM 845 C ASP A 55 -4.540 -0.470 -9.911 1.00 13.31 C ATOM 846 O ASP A 55 -4.387 0.140 -10.982 1.00 41.30 O ATOM 847 CB ASP A 55 -4.431 -2.904 -10.036 1.00 43.00 C ATOM 848 CG ASP A 55 -5.104 -4.243 -10.279 1.00 71.45 C ATOM 849 OD1 ASP A 55 -6.097 -4.575 -9.609 1.00 22.52 O ATOM 850 OD2 ASP A 55 -4.655 -5.013 -11.148 1.00 43.11 O ATOM 0 H ASP A 55 -5.865 -1.045 -11.768 1.00 25.31 H new ATOM 0 HA ASP A 55 -5.951 -1.838 -8.957 1.00 64.24 H new ATOM 0 HB2 ASP A 55 -3.753 -2.704 -10.866 1.00 43.00 H new ATOM 0 HB3 ASP A 55 -3.820 -2.984 -9.137 1.00 43.00 H new ATOM 855 N ALA A 56 -4.027 -0.096 -8.814 1.00 22.30 N ATOM 856 CA ALA A 56 -3.158 1.036 -8.706 1.00 21.43 C ATOM 857 C ALA A 56 -1.996 0.607 -7.863 1.00 50.14 C ATOM 858 O ALA A 56 -2.177 -0.091 -6.885 1.00 21.55 O ATOM 859 CB ALA A 56 -3.889 2.233 -8.105 1.00 53.20 C ATOM 0 H ALA A 56 -4.194 -0.572 -7.927 1.00 22.30 H new ATOM 0 HA ALA A 56 -2.812 1.362 -9.687 1.00 21.43 H new ATOM 0 HB1 ALA A 56 -3.205 3.079 -8.034 1.00 53.20 H new ATOM 0 HB2 ALA A 56 -4.733 2.501 -8.741 1.00 53.20 H new ATOM 0 HB3 ALA A 56 -4.252 1.976 -7.110 1.00 53.20 H new ATOM 865 N GLU A 57 -0.831 0.998 -8.225 1.00 43.54 N ATOM 866 CA GLU A 57 0.347 0.512 -7.567 1.00 11.45 C ATOM 867 C GLU A 57 1.307 1.657 -7.369 1.00 43.11 C ATOM 868 O GLU A 57 1.545 2.448 -8.300 1.00 25.34 O ATOM 869 CB GLU A 57 0.967 -0.583 -8.424 1.00 3.02 C ATOM 870 CG GLU A 57 2.228 -1.228 -7.881 1.00 45.32 C ATOM 871 CD GLU A 57 2.969 -1.954 -8.970 1.00 20.32 C ATOM 872 OE1 GLU A 57 2.345 -2.342 -9.973 1.00 44.13 O ATOM 873 OE2 GLU A 57 4.198 -2.021 -8.920 1.00 25.40 O ATOM 0 H GLU A 57 -0.656 1.660 -8.981 1.00 43.54 H new ATOM 0 HA GLU A 57 0.102 0.096 -6.590 1.00 11.45 H new ATOM 0 HB2 GLU A 57 0.221 -1.363 -8.574 1.00 3.02 H new ATOM 0 HB3 GLU A 57 1.192 -0.164 -9.405 1.00 3.02 H new ATOM 0 HG2 GLU A 57 2.872 -0.466 -7.443 1.00 45.32 H new ATOM 0 HG3 GLU A 57 1.971 -1.925 -7.083 1.00 45.32 H new ATOM 880 N ILE A 58 1.826 1.763 -6.181 1.00 33.31 N ATOM 881 CA ILE A 58 2.725 2.834 -5.834 1.00 72.25 C ATOM 882 C ILE A 58 4.089 2.231 -5.544 1.00 4.10 C ATOM 883 O ILE A 58 4.189 1.311 -4.718 1.00 15.33 O ATOM 884 CB ILE A 58 2.251 3.578 -4.558 1.00 43.24 C ATOM 885 CG1 ILE A 58 0.736 3.900 -4.584 1.00 54.33 C ATOM 886 CG2 ILE A 58 3.053 4.845 -4.389 1.00 41.22 C ATOM 887 CD1 ILE A 58 0.272 4.780 -5.732 1.00 64.42 C ATOM 0 H ILE A 58 1.640 1.109 -5.420 1.00 33.31 H new ATOM 0 HA ILE A 58 2.759 3.542 -6.662 1.00 72.25 H new ATOM 0 HB ILE A 58 2.416 2.915 -3.709 1.00 43.24 H new ATOM 0 HG12 ILE A 58 0.184 2.961 -4.623 1.00 54.33 H new ATOM 0 HG13 ILE A 58 0.470 4.387 -3.646 1.00 54.33 H new ATOM 0 HG21 ILE A 58 2.721 5.369 -3.493 1.00 41.22 H new ATOM 0 HG22 ILE A 58 4.110 4.597 -4.294 1.00 41.22 H new ATOM 0 HG23 ILE A 58 2.908 5.486 -5.259 1.00 41.22 H new ATOM 0 HD11 ILE A 58 -0.803 4.943 -5.654 1.00 64.42 H new ATOM 0 HD12 ILE A 58 0.788 5.739 -5.687 1.00 64.42 H new ATOM 0 HD13 ILE A 58 0.497 4.291 -6.680 1.00 64.42 H new ATOM 899 N VAL A 59 5.124 2.705 -6.225 1.00 23.51 N ATOM 900 CA VAL A 59 6.460 2.174 -6.025 1.00 2.44 C ATOM 901 C VAL A 59 7.469 3.295 -5.768 1.00 11.01 C ATOM 902 O VAL A 59 7.597 4.217 -6.576 1.00 62.32 O ATOM 903 CB VAL A 59 6.967 1.401 -7.281 1.00 20.10 C ATOM 904 CG1 VAL A 59 8.268 0.659 -6.994 1.00 71.44 C ATOM 905 CG2 VAL A 59 5.916 0.467 -7.843 1.00 54.22 C ATOM 0 H VAL A 59 5.062 3.452 -6.917 1.00 23.51 H new ATOM 0 HA VAL A 59 6.389 1.506 -5.166 1.00 2.44 H new ATOM 0 HB VAL A 59 7.171 2.149 -8.047 1.00 20.10 H new ATOM 0 HG11 VAL A 59 8.592 0.132 -7.891 1.00 71.44 H new ATOM 0 HG12 VAL A 59 9.036 1.373 -6.696 1.00 71.44 H new ATOM 0 HG13 VAL A 59 8.108 -0.059 -6.189 1.00 71.44 H new ATOM 0 HG21 VAL A 59 6.316 -0.048 -8.716 1.00 54.22 H new ATOM 0 HG22 VAL A 59 5.638 -0.266 -7.085 1.00 54.22 H new ATOM 0 HG23 VAL A 59 5.036 1.042 -8.133 1.00 54.22 H new ATOM 915 N SER A 60 8.140 3.241 -4.659 1.00 23.15 N ATOM 916 CA SER A 60 9.294 4.071 -4.432 1.00 55.12 C ATOM 917 C SER A 60 10.449 3.093 -4.275 1.00 40.22 C ATOM 918 O SER A 60 10.247 2.016 -3.708 1.00 53.41 O ATOM 919 CB SER A 60 9.107 4.937 -3.177 1.00 11.11 C ATOM 920 OG SER A 60 9.026 4.159 -1.992 1.00 34.01 O ATOM 0 H SER A 60 7.907 2.622 -3.882 1.00 23.15 H new ATOM 0 HA SER A 60 9.470 4.772 -5.248 1.00 55.12 H new ATOM 0 HB2 SER A 60 9.939 5.636 -3.094 1.00 11.11 H new ATOM 0 HB3 SER A 60 8.200 5.532 -3.281 1.00 11.11 H new ATOM 0 HG SER A 60 9.807 4.339 -1.428 1.00 34.01 H new ATOM 926 N ALA A 61 11.620 3.400 -4.763 1.00 24.20 N ATOM 927 CA ALA A 61 12.680 2.406 -4.717 1.00 54.12 C ATOM 928 C ALA A 61 14.022 2.989 -4.383 1.00 65.14 C ATOM 929 O ALA A 61 14.299 4.152 -4.686 1.00 24.24 O ATOM 930 CB ALA A 61 12.750 1.653 -6.042 1.00 40.45 C ATOM 0 H ALA A 61 11.869 4.295 -5.185 1.00 24.20 H new ATOM 0 HA ALA A 61 12.429 1.717 -3.910 1.00 54.12 H new ATOM 0 HB1 ALA A 61 13.547 0.911 -5.997 1.00 40.45 H new ATOM 0 HB2 ALA A 61 11.799 1.153 -6.227 1.00 40.45 H new ATOM 0 HB3 ALA A 61 12.954 2.356 -6.850 1.00 40.45 H new ATOM 936 N SER A 62 14.833 2.188 -3.732 1.00 14.03 N ATOM 937 CA SER A 62 16.190 2.527 -3.465 1.00 52.43 C ATOM 938 C SER A 62 17.058 1.947 -4.586 1.00 54.42 C ATOM 939 O SER A 62 16.680 0.958 -5.231 1.00 63.40 O ATOM 940 CB SER A 62 16.606 1.953 -2.117 1.00 21.34 C ATOM 941 OG SER A 62 15.716 2.374 -1.083 1.00 43.31 O ATOM 0 H SER A 62 14.555 1.274 -3.373 1.00 14.03 H new ATOM 0 HA SER A 62 16.313 3.609 -3.428 1.00 52.43 H new ATOM 0 HB2 SER A 62 16.618 0.864 -2.170 1.00 21.34 H new ATOM 0 HB3 SER A 62 17.621 2.272 -1.880 1.00 21.34 H new ATOM 0 HG SER A 62 15.522 1.618 -0.491 1.00 43.31 H new ATOM 947 N ASP A 63 18.180 2.559 -4.816 1.00 64.41 N ATOM 948 CA ASP A 63 19.099 2.174 -5.886 1.00 34.43 C ATOM 949 C ASP A 63 19.995 1.020 -5.478 1.00 75.12 C ATOM 950 O ASP A 63 20.365 0.193 -6.310 1.00 62.23 O ATOM 951 CB ASP A 63 19.981 3.376 -6.210 1.00 41.42 C ATOM 952 CG ASP A 63 20.696 3.865 -4.953 1.00 42.34 C ATOM 953 OD1 ASP A 63 20.038 4.555 -4.140 1.00 40.11 O ATOM 954 OD2 ASP A 63 21.858 3.476 -4.724 1.00 2.23 O ATOM 0 H ASP A 63 18.503 3.355 -4.266 1.00 64.41 H new ATOM 0 HA ASP A 63 18.510 1.857 -6.746 1.00 34.43 H new ATOM 0 HB2 ASP A 63 20.713 3.104 -6.970 1.00 41.42 H new ATOM 0 HB3 ASP A 63 19.373 4.179 -6.626 1.00 41.42 H new ATOM 959 N SER A 64 20.304 0.938 -4.206 1.00 13.01 N ATOM 960 CA SER A 64 21.226 -0.051 -3.736 1.00 74.22 C ATOM 961 C SER A 64 20.561 -1.425 -3.674 1.00 62.53 C ATOM 962 O SER A 64 21.145 -2.433 -4.074 1.00 31.43 O ATOM 963 CB SER A 64 21.727 0.372 -2.368 1.00 54.21 C ATOM 964 OG SER A 64 22.173 1.727 -2.385 1.00 2.53 O ATOM 0 H SER A 64 19.926 1.549 -3.482 1.00 13.01 H new ATOM 0 HA SER A 64 22.067 -0.130 -4.425 1.00 74.22 H new ATOM 0 HB2 SER A 64 20.930 0.257 -1.633 1.00 54.21 H new ATOM 0 HB3 SER A 64 22.544 -0.280 -2.058 1.00 54.21 H new ATOM 0 HG SER A 64 22.105 2.082 -3.296 1.00 2.53 H new ATOM 970 N ASP A 65 19.347 -1.459 -3.183 1.00 23.04 N ATOM 971 CA ASP A 65 18.593 -2.684 -3.125 1.00 3.54 C ATOM 972 C ASP A 65 17.228 -2.488 -3.727 1.00 34.43 C ATOM 973 O ASP A 65 16.454 -1.649 -3.278 1.00 53.32 O ATOM 974 CB ASP A 65 18.513 -3.263 -1.706 1.00 34.45 C ATOM 975 CG ASP A 65 17.597 -4.483 -1.616 1.00 73.44 C ATOM 976 OD1 ASP A 65 17.402 -5.193 -2.622 1.00 61.35 O ATOM 977 OD2 ASP A 65 17.001 -4.704 -0.562 1.00 74.30 O ATOM 0 H ASP A 65 18.857 -0.644 -2.815 1.00 23.04 H new ATOM 0 HA ASP A 65 19.128 -3.425 -3.719 1.00 3.54 H new ATOM 0 HB2 ASP A 65 19.514 -3.540 -1.374 1.00 34.45 H new ATOM 0 HB3 ASP A 65 18.153 -2.493 -1.024 1.00 34.45 H new ATOM 982 N SER A 66 16.960 -3.237 -4.756 1.00 5.21 N ATOM 983 CA SER A 66 15.699 -3.216 -5.439 1.00 23.44 C ATOM 984 C SER A 66 14.560 -3.780 -4.543 1.00 74.40 C ATOM 985 O SER A 66 13.375 -3.458 -4.749 1.00 60.43 O ATOM 986 CB SER A 66 15.817 -4.001 -6.760 1.00 71.44 C ATOM 987 OG SER A 66 14.651 -3.874 -7.563 1.00 15.02 O ATOM 0 H SER A 66 17.629 -3.896 -5.154 1.00 5.21 H new ATOM 0 HA SER A 66 15.439 -2.182 -5.667 1.00 23.44 H new ATOM 0 HB2 SER A 66 16.682 -3.643 -7.318 1.00 71.44 H new ATOM 0 HB3 SER A 66 15.993 -5.054 -6.541 1.00 71.44 H new ATOM 0 HG SER A 66 14.767 -4.385 -8.391 1.00 15.02 H new ATOM 993 N THR A 67 14.890 -4.605 -3.543 1.00 25.02 N ATOM 994 CA THR A 67 13.844 -5.173 -2.704 1.00 13.13 C ATOM 995 C THR A 67 13.539 -4.202 -1.566 1.00 64.51 C ATOM 996 O THR A 67 12.483 -4.277 -0.895 1.00 30.50 O ATOM 997 CB THR A 67 14.220 -6.575 -2.143 1.00 11.32 C ATOM 998 OG1 THR A 67 15.080 -6.472 -1.003 1.00 43.31 O ATOM 999 CG2 THR A 67 14.932 -7.380 -3.208 1.00 23.42 C ATOM 0 H THR A 67 15.842 -4.884 -3.304 1.00 25.02 H new ATOM 0 HA THR A 67 12.958 -5.319 -3.322 1.00 13.13 H new ATOM 0 HB THR A 67 13.294 -7.067 -1.844 1.00 11.32 H new ATOM 0 HG1 THR A 67 15.582 -5.631 -1.047 1.00 43.31 H new ATOM 0 HG21 THR A 67 15.193 -8.360 -2.809 1.00 23.42 H new ATOM 0 HG22 THR A 67 14.277 -7.501 -4.071 1.00 23.42 H new ATOM 0 HG23 THR A 67 15.840 -6.859 -3.512 1.00 23.42 H new ATOM 1007 N ASP A 68 14.457 -3.277 -1.392 1.00 1.42 N ATOM 1008 CA ASP A 68 14.340 -2.182 -0.443 1.00 43.41 C ATOM 1009 C ASP A 68 13.576 -1.068 -1.131 1.00 42.02 C ATOM 1010 O ASP A 68 14.129 -0.079 -1.607 1.00 23.20 O ATOM 1011 CB ASP A 68 15.740 -1.707 0.011 1.00 72.23 C ATOM 1012 CG ASP A 68 15.737 -0.629 1.078 1.00 43.43 C ATOM 1013 OD1 ASP A 68 15.491 -0.938 2.258 1.00 23.25 O ATOM 1014 OD2 ASP A 68 16.062 0.536 0.785 1.00 53.42 O ATOM 0 H ASP A 68 15.330 -3.262 -1.919 1.00 1.42 H new ATOM 0 HA ASP A 68 13.809 -2.501 0.454 1.00 43.41 H new ATOM 0 HB2 ASP A 68 16.295 -2.567 0.386 1.00 72.23 H new ATOM 0 HB3 ASP A 68 16.280 -1.334 -0.859 1.00 72.23 H new ATOM 1019 N SER A 69 12.324 -1.324 -1.320 1.00 44.54 N ATOM 1020 CA SER A 69 11.457 -0.434 -1.994 1.00 71.43 C ATOM 1021 C SER A 69 10.074 -0.536 -1.405 1.00 73.30 C ATOM 1022 O SER A 69 9.691 -1.603 -0.902 1.00 74.12 O ATOM 1023 CB SER A 69 11.455 -0.786 -3.495 1.00 43.01 C ATOM 1024 OG SER A 69 11.285 -2.194 -3.711 1.00 21.43 O ATOM 0 H SER A 69 11.871 -2.180 -1.000 1.00 44.54 H new ATOM 0 HA SER A 69 11.797 0.595 -1.876 1.00 71.43 H new ATOM 0 HB2 SER A 69 10.654 -0.242 -3.995 1.00 43.01 H new ATOM 0 HB3 SER A 69 12.392 -0.459 -3.946 1.00 43.01 H new ATOM 0 HG SER A 69 12.163 -2.617 -3.816 1.00 21.43 H new ATOM 1030 N LEU A 70 9.337 0.537 -1.429 1.00 61.21 N ATOM 1031 CA LEU A 70 7.984 0.488 -0.990 1.00 10.33 C ATOM 1032 C LEU A 70 7.180 0.249 -2.237 1.00 32.11 C ATOM 1033 O LEU A 70 7.134 1.096 -3.125 1.00 4.10 O ATOM 1034 CB LEU A 70 7.581 1.833 -0.297 1.00 42.55 C ATOM 1035 CG LEU A 70 6.173 1.958 0.391 1.00 32.24 C ATOM 1036 CD1 LEU A 70 5.009 1.841 -0.585 1.00 52.22 C ATOM 1037 CD2 LEU A 70 6.017 0.947 1.513 1.00 1.22 C ATOM 0 H LEU A 70 9.655 1.452 -1.748 1.00 61.21 H new ATOM 0 HA LEU A 70 7.816 -0.294 -0.249 1.00 10.33 H new ATOM 0 HB2 LEU A 70 8.335 2.049 0.460 1.00 42.55 H new ATOM 0 HB3 LEU A 70 7.649 2.620 -1.048 1.00 42.55 H new ATOM 0 HG LEU A 70 6.138 2.965 0.807 1.00 32.24 H new ATOM 0 HD11 LEU A 70 4.068 1.936 -0.043 1.00 52.22 H new ATOM 0 HD12 LEU A 70 5.079 2.632 -1.331 1.00 52.22 H new ATOM 0 HD13 LEU A 70 5.046 0.871 -1.080 1.00 52.22 H new ATOM 0 HD21 LEU A 70 5.033 1.058 1.969 1.00 1.22 H new ATOM 0 HD22 LEU A 70 6.119 -0.061 1.111 1.00 1.22 H new ATOM 0 HD23 LEU A 70 6.787 1.117 2.265 1.00 1.22 H new ATOM 1049 N GLN A 71 6.620 -0.908 -2.334 1.00 51.54 N ATOM 1050 CA GLN A 71 5.784 -1.232 -3.437 1.00 1.53 C ATOM 1051 C GLN A 71 4.507 -1.798 -2.901 1.00 61.43 C ATOM 1052 O GLN A 71 4.512 -2.842 -2.226 1.00 52.43 O ATOM 1053 CB GLN A 71 6.509 -2.204 -4.379 1.00 21.34 C ATOM 1054 CG GLN A 71 5.697 -2.688 -5.577 1.00 71.41 C ATOM 1055 CD GLN A 71 6.553 -3.458 -6.573 1.00 60.32 C ATOM 1056 OE1 GLN A 71 7.551 -4.091 -6.202 1.00 63.11 O ATOM 1057 NE2 GLN A 71 6.195 -3.416 -7.823 1.00 63.43 N ATOM 0 H GLN A 71 6.729 -1.656 -1.650 1.00 51.54 H new ATOM 0 HA GLN A 71 5.550 -0.345 -4.026 1.00 1.53 H new ATOM 0 HB2 GLN A 71 7.413 -1.719 -4.747 1.00 21.34 H new ATOM 0 HB3 GLN A 71 6.826 -3.073 -3.802 1.00 21.34 H new ATOM 0 HG2 GLN A 71 4.883 -3.325 -5.230 1.00 71.41 H new ATOM 0 HG3 GLN A 71 5.242 -1.832 -6.076 1.00 71.41 H new ATOM 0 HE21 GLN A 71 5.368 -2.886 -8.099 1.00 63.43 H new ATOM 0 HE22 GLN A 71 6.741 -3.913 -8.527 1.00 63.43 H new ATOM 1066 N VAL A 72 3.434 -1.109 -3.150 1.00 31.52 N ATOM 1067 CA VAL A 72 2.140 -1.534 -2.704 1.00 33.23 C ATOM 1068 C VAL A 72 1.208 -1.555 -3.874 1.00 15.10 C ATOM 1069 O VAL A 72 1.041 -0.541 -4.568 1.00 35.33 O ATOM 1070 CB VAL A 72 1.550 -0.611 -1.585 1.00 54.21 C ATOM 1071 CG1 VAL A 72 0.149 -1.066 -1.176 1.00 40.20 C ATOM 1072 CG2 VAL A 72 2.451 -0.593 -0.368 1.00 74.51 C ATOM 0 H VAL A 72 3.431 -0.232 -3.671 1.00 31.52 H new ATOM 0 HA VAL A 72 2.251 -2.529 -2.272 1.00 33.23 H new ATOM 0 HB VAL A 72 1.486 0.397 -1.996 1.00 54.21 H new ATOM 0 HG11 VAL A 72 -0.235 -0.406 -0.398 1.00 40.20 H new ATOM 0 HG12 VAL A 72 -0.513 -1.030 -2.042 1.00 40.20 H new ATOM 0 HG13 VAL A 72 0.194 -2.087 -0.797 1.00 40.20 H new ATOM 0 HG21 VAL A 72 2.019 0.055 0.395 1.00 74.51 H new ATOM 0 HG22 VAL A 72 2.548 -1.604 0.028 1.00 74.51 H new ATOM 0 HG23 VAL A 72 3.435 -0.217 -0.649 1.00 74.51 H new ATOM 1082 N ALA A 73 0.627 -2.686 -4.097 1.00 4.24 N ATOM 1083 CA ALA A 73 -0.324 -2.857 -5.135 1.00 33.30 C ATOM 1084 C ALA A 73 -1.694 -2.860 -4.524 1.00 12.23 C ATOM 1085 O ALA A 73 -1.945 -3.556 -3.531 1.00 61.43 O ATOM 1086 CB ALA A 73 -0.065 -4.146 -5.900 1.00 65.43 C ATOM 0 H ALA A 73 0.805 -3.530 -3.552 1.00 4.24 H new ATOM 0 HA ALA A 73 -0.243 -2.038 -5.850 1.00 33.30 H new ATOM 0 HB1 ALA A 73 -0.807 -4.255 -6.691 1.00 65.43 H new ATOM 0 HB2 ALA A 73 0.932 -4.114 -6.340 1.00 65.43 H new ATOM 0 HB3 ALA A 73 -0.134 -4.994 -5.218 1.00 65.43 H new ATOM 1092 N MET A 74 -2.546 -2.070 -5.075 1.00 23.51 N ATOM 1093 CA MET A 74 -3.893 -1.937 -4.625 1.00 32.21 C ATOM 1094 C MET A 74 -4.767 -2.426 -5.743 1.00 31.40 C ATOM 1095 O MET A 74 -4.698 -1.908 -6.849 1.00 3.12 O ATOM 1096 CB MET A 74 -4.205 -0.461 -4.337 1.00 22.22 C ATOM 1097 CG MET A 74 -3.292 0.189 -3.303 1.00 1.40 C ATOM 1098 SD MET A 74 -3.583 1.956 -3.111 1.00 21.12 S ATOM 1099 CE MET A 74 -2.869 2.585 -4.619 1.00 43.04 C ATOM 0 H MET A 74 -2.322 -1.479 -5.876 1.00 23.51 H new ATOM 0 HA MET A 74 -4.060 -2.505 -3.710 1.00 32.21 H new ATOM 0 HB2 MET A 74 -4.135 0.100 -5.269 1.00 22.22 H new ATOM 0 HB3 MET A 74 -5.236 -0.381 -3.993 1.00 22.22 H new ATOM 0 HG2 MET A 74 -3.435 -0.303 -2.341 1.00 1.40 H new ATOM 0 HG3 MET A 74 -2.254 0.028 -3.592 1.00 1.40 H new ATOM 0 HE1 MET A 74 -2.073 3.290 -4.378 1.00 43.04 H new ATOM 0 HE2 MET A 74 -2.458 1.759 -5.199 1.00 43.04 H new ATOM 0 HE3 MET A 74 -3.638 3.091 -5.202 1.00 43.04 H new ATOM 1109 N LYS A 75 -5.563 -3.402 -5.469 1.00 4.32 N ATOM 1110 CA LYS A 75 -6.377 -4.024 -6.472 1.00 23.52 C ATOM 1111 C LYS A 75 -7.830 -3.802 -6.175 1.00 44.25 C ATOM 1112 O LYS A 75 -8.292 -4.081 -5.061 1.00 50.34 O ATOM 1113 CB LYS A 75 -6.048 -5.531 -6.529 1.00 2.05 C ATOM 1114 CG LYS A 75 -7.021 -6.371 -7.358 1.00 32.11 C ATOM 1115 CD LYS A 75 -6.496 -7.772 -7.620 1.00 72.44 C ATOM 1116 CE LYS A 75 -5.294 -7.758 -8.569 1.00 12.12 C ATOM 1117 NZ LYS A 75 -5.626 -7.153 -9.879 1.00 14.45 N ATOM 0 H LYS A 75 -5.673 -3.799 -4.536 1.00 4.32 H new ATOM 0 HA LYS A 75 -6.165 -3.579 -7.444 1.00 23.52 H new ATOM 0 HB2 LYS A 75 -5.045 -5.654 -6.938 1.00 2.05 H new ATOM 0 HB3 LYS A 75 -6.028 -5.923 -5.512 1.00 2.05 H new ATOM 0 HG2 LYS A 75 -7.977 -6.435 -6.837 1.00 32.11 H new ATOM 0 HG3 LYS A 75 -7.209 -5.872 -8.309 1.00 32.11 H new ATOM 0 HD2 LYS A 75 -6.209 -8.236 -6.676 1.00 72.44 H new ATOM 0 HD3 LYS A 75 -7.290 -8.384 -8.047 1.00 72.44 H new ATOM 0 HE2 LYS A 75 -4.477 -7.202 -8.110 1.00 12.12 H new ATOM 0 HE3 LYS A 75 -4.940 -8.778 -8.720 1.00 12.12 H new ATOM 0 HZ1 LYS A 75 -4.749 -6.884 -10.369 1.00 14.45 H new ATOM 0 HZ2 LYS A 75 -6.149 -7.842 -10.457 1.00 14.45 H new ATOM 0 HZ3 LYS A 75 -6.214 -6.308 -9.732 1.00 14.45 H new ATOM 1131 N LYS A 76 -8.553 -3.339 -7.173 1.00 43.42 N ATOM 1132 CA LYS A 76 -9.936 -3.034 -7.031 1.00 33.32 C ATOM 1133 C LYS A 76 -10.708 -4.335 -7.134 1.00 41.32 C ATOM 1134 O LYS A 76 -10.760 -4.962 -8.220 1.00 24.45 O ATOM 1135 CB LYS A 76 -10.364 -2.155 -8.187 1.00 71.00 C ATOM 1136 CG LYS A 76 -11.773 -1.649 -8.099 1.00 63.44 C ATOM 1137 CD LYS A 76 -12.337 -1.356 -9.471 1.00 24.21 C ATOM 1138 CE LYS A 76 -12.787 -2.641 -10.165 1.00 44.04 C ATOM 1139 NZ LYS A 76 -11.685 -3.612 -10.488 1.00 60.31 N ATOM 0 H LYS A 76 -8.182 -3.167 -8.107 1.00 43.42 H new ATOM 0 HA LYS A 76 -10.119 -2.532 -6.081 1.00 33.32 H new ATOM 0 HB2 LYS A 76 -9.689 -1.302 -8.247 1.00 71.00 H new ATOM 0 HB3 LYS A 76 -10.251 -2.716 -9.114 1.00 71.00 H new ATOM 0 HG2 LYS A 76 -12.397 -2.389 -7.597 1.00 63.44 H new ATOM 0 HG3 LYS A 76 -11.800 -0.744 -7.491 1.00 63.44 H new ATOM 0 HD2 LYS A 76 -13.181 -0.672 -9.382 1.00 24.21 H new ATOM 0 HD3 LYS A 76 -11.583 -0.855 -10.079 1.00 24.21 H new ATOM 0 HE2 LYS A 76 -13.517 -3.142 -9.529 1.00 44.04 H new ATOM 0 HE3 LYS A 76 -13.299 -2.376 -11.090 1.00 44.04 H new ATOM 0 HZ1 LYS A 76 -12.022 -4.298 -11.194 1.00 60.31 H new ATOM 0 HZ2 LYS A 76 -10.868 -3.095 -10.870 1.00 60.31 H new ATOM 0 HZ3 LYS A 76 -11.402 -4.116 -9.623 1.00 60.31 H new ATOM 1153 N LEU A 77 -11.331 -4.705 -6.074 1.00 3.54 N ATOM 1154 CA LEU A 77 -12.033 -5.953 -5.986 1.00 71.12 C ATOM 1155 C LEU A 77 -13.538 -5.671 -6.089 1.00 44.42 C ATOM 1156 O LEU A 77 -13.993 -4.572 -5.721 1.00 60.10 O ATOM 1157 CB LEU A 77 -11.697 -6.617 -4.630 1.00 1.50 C ATOM 1158 CG LEU A 77 -12.060 -8.095 -4.437 1.00 30.14 C ATOM 1159 CD1 LEU A 77 -11.217 -8.986 -5.342 1.00 24.13 C ATOM 1160 CD2 LEU A 77 -11.877 -8.498 -2.982 1.00 45.12 C ATOM 0 H LEU A 77 -11.374 -4.145 -5.223 1.00 3.54 H new ATOM 0 HA LEU A 77 -11.738 -6.625 -6.792 1.00 71.12 H new ATOM 0 HB2 LEU A 77 -10.625 -6.513 -4.465 1.00 1.50 H new ATOM 0 HB3 LEU A 77 -12.197 -6.046 -3.847 1.00 1.50 H new ATOM 0 HG LEU A 77 -13.107 -8.226 -4.710 1.00 30.14 H new ATOM 0 HD11 LEU A 77 -11.494 -10.029 -5.186 1.00 24.13 H new ATOM 0 HD12 LEU A 77 -11.392 -8.716 -6.383 1.00 24.13 H new ATOM 0 HD13 LEU A 77 -10.162 -8.851 -5.105 1.00 24.13 H new ATOM 0 HD21 LEU A 77 -12.138 -9.549 -2.860 1.00 45.12 H new ATOM 0 HD22 LEU A 77 -10.838 -8.346 -2.690 1.00 45.12 H new ATOM 0 HD23 LEU A 77 -12.524 -7.888 -2.351 1.00 45.12 H new ATOM 1172 N PRO A 78 -14.314 -6.594 -6.688 1.00 13.23 N ATOM 1173 CA PRO A 78 -15.779 -6.492 -6.730 1.00 42.20 C ATOM 1174 C PRO A 78 -16.382 -6.309 -5.326 1.00 54.13 C ATOM 1175 O PRO A 78 -15.729 -6.584 -4.317 1.00 11.22 O ATOM 1176 CB PRO A 78 -16.216 -7.844 -7.307 1.00 43.43 C ATOM 1177 CG PRO A 78 -15.049 -8.321 -8.090 1.00 10.31 C ATOM 1178 CD PRO A 78 -13.830 -7.790 -7.395 1.00 33.45 C ATOM 0 HA PRO A 78 -16.110 -5.633 -7.313 1.00 42.20 H new ATOM 0 HB2 PRO A 78 -16.474 -8.547 -6.515 1.00 43.43 H new ATOM 0 HB3 PRO A 78 -17.098 -7.737 -7.938 1.00 43.43 H new ATOM 0 HG2 PRO A 78 -15.029 -9.410 -8.133 1.00 10.31 H new ATOM 0 HG3 PRO A 78 -15.098 -7.962 -9.118 1.00 10.31 H new ATOM 0 HD2 PRO A 78 -13.415 -8.522 -6.702 1.00 33.45 H new ATOM 0 HD3 PRO A 78 -13.042 -7.542 -8.106 1.00 33.45 H new ATOM 1186 N ASN A 79 -17.623 -5.822 -5.288 1.00 23.21 N ATOM 1187 CA ASN A 79 -18.372 -5.573 -4.030 1.00 33.11 C ATOM 1188 C ASN A 79 -17.811 -4.383 -3.264 1.00 41.34 C ATOM 1189 O ASN A 79 -18.160 -4.164 -2.112 1.00 64.41 O ATOM 1190 CB ASN A 79 -18.460 -6.832 -3.116 1.00 1.40 C ATOM 1191 CG ASN A 79 -19.289 -7.968 -3.709 1.00 41.20 C ATOM 1192 OD1 ASN A 79 -19.388 -8.121 -4.922 1.00 65.54 O ATOM 1193 ND2 ASN A 79 -19.879 -8.775 -2.860 1.00 72.31 N ATOM 0 H ASN A 79 -18.150 -5.584 -6.128 1.00 23.21 H new ATOM 0 HA ASN A 79 -19.391 -5.331 -4.333 1.00 33.11 H new ATOM 0 HB2 ASN A 79 -17.452 -7.196 -2.917 1.00 1.40 H new ATOM 0 HB3 ASN A 79 -18.890 -6.544 -2.157 1.00 1.40 H new ATOM 0 HD21 ASN A 79 -20.439 -9.556 -3.203 1.00 72.31 H new ATOM 0 HD22 ASN A 79 -19.778 -8.622 -1.857 1.00 72.31 H new ATOM 1200 N ASN A 80 -16.991 -3.582 -3.955 1.00 13.13 N ATOM 1201 CA ASN A 80 -16.363 -2.371 -3.392 1.00 40.01 C ATOM 1202 C ASN A 80 -15.358 -2.676 -2.313 1.00 52.35 C ATOM 1203 O ASN A 80 -15.423 -2.145 -1.212 1.00 42.32 O ATOM 1204 CB ASN A 80 -17.367 -1.289 -2.930 1.00 12.44 C ATOM 1205 CG ASN A 80 -18.042 -0.565 -4.074 1.00 11.01 C ATOM 1206 OD1 ASN A 80 -17.530 0.439 -4.576 1.00 55.32 O ATOM 1207 ND2 ASN A 80 -19.201 -1.029 -4.473 1.00 51.43 N ATOM 0 H ASN A 80 -16.740 -3.754 -4.929 1.00 13.13 H new ATOM 0 HA ASN A 80 -15.822 -1.941 -4.235 1.00 40.01 H new ATOM 0 HB2 ASN A 80 -18.129 -1.755 -2.305 1.00 12.44 H new ATOM 0 HB3 ASN A 80 -16.845 -0.562 -2.308 1.00 12.44 H new ATOM 0 HD21 ASN A 80 -19.709 -0.557 -5.221 1.00 51.43 H new ATOM 0 HD22 ASN A 80 -19.595 -1.862 -4.035 1.00 51.43 H new ATOM 1214 N ALA A 81 -14.464 -3.568 -2.618 1.00 43.31 N ATOM 1215 CA ALA A 81 -13.385 -3.882 -1.733 1.00 34.21 C ATOM 1216 C ALA A 81 -12.084 -3.633 -2.465 1.00 12.42 C ATOM 1217 O ALA A 81 -12.071 -3.525 -3.687 1.00 70.24 O ATOM 1218 CB ALA A 81 -13.479 -5.319 -1.252 1.00 61.05 C ATOM 0 H ALA A 81 -14.463 -4.099 -3.489 1.00 43.31 H new ATOM 0 HA ALA A 81 -13.434 -3.248 -0.848 1.00 34.21 H new ATOM 0 HB1 ALA A 81 -12.647 -5.533 -0.581 1.00 61.05 H new ATOM 0 HB2 ALA A 81 -14.420 -5.464 -0.722 1.00 61.05 H new ATOM 0 HB3 ALA A 81 -13.437 -5.993 -2.108 1.00 61.05 H new ATOM 1224 N THR A 82 -11.017 -3.501 -1.748 1.00 23.41 N ATOM 1225 CA THR A 82 -9.736 -3.268 -2.348 1.00 31.41 C ATOM 1226 C THR A 82 -8.723 -4.191 -1.675 1.00 30.42 C ATOM 1227 O THR A 82 -8.712 -4.307 -0.454 1.00 2.12 O ATOM 1228 CB THR A 82 -9.317 -1.794 -2.139 1.00 24.22 C ATOM 1229 OG1 THR A 82 -10.424 -0.936 -2.443 1.00 64.53 O ATOM 1230 CG2 THR A 82 -8.157 -1.422 -3.055 1.00 43.43 C ATOM 0 H THR A 82 -11.004 -3.551 -0.729 1.00 23.41 H new ATOM 0 HA THR A 82 -9.780 -3.468 -3.419 1.00 31.41 H new ATOM 0 HB THR A 82 -9.008 -1.673 -1.101 1.00 24.22 H new ATOM 0 HG1 THR A 82 -11.089 -0.993 -1.725 1.00 64.53 H new ATOM 0 HG21 THR A 82 -7.881 -0.381 -2.889 1.00 43.43 H new ATOM 0 HG22 THR A 82 -7.302 -2.063 -2.838 1.00 43.43 H new ATOM 0 HG23 THR A 82 -8.457 -1.556 -4.094 1.00 43.43 H new ATOM 1238 N ARG A 83 -7.904 -4.865 -2.435 1.00 23.31 N ATOM 1239 CA ARG A 83 -6.929 -5.733 -1.845 1.00 1.21 C ATOM 1240 C ARG A 83 -5.589 -5.055 -1.925 1.00 12.15 C ATOM 1241 O ARG A 83 -5.210 -4.565 -2.980 1.00 64.42 O ATOM 1242 CB ARG A 83 -6.841 -7.072 -2.562 1.00 22.25 C ATOM 1243 CG ARG A 83 -6.258 -8.155 -1.675 1.00 15.41 C ATOM 1244 CD ARG A 83 -5.818 -9.373 -2.445 1.00 62.21 C ATOM 1245 NE ARG A 83 -4.467 -9.196 -3.041 1.00 12.43 N ATOM 1246 CZ ARG A 83 -3.721 -10.179 -3.598 1.00 2.25 C ATOM 1247 NH1 ARG A 83 -4.258 -11.380 -3.843 1.00 71.25 N ATOM 1248 NH2 ARG A 83 -2.439 -9.947 -3.896 1.00 33.11 N ATOM 0 H ARG A 83 -7.893 -4.829 -3.454 1.00 23.31 H new ATOM 0 HA ARG A 83 -7.224 -5.928 -0.814 1.00 1.21 H new ATOM 0 HB2 ARG A 83 -7.835 -7.371 -2.894 1.00 22.25 H new ATOM 0 HB3 ARG A 83 -6.226 -6.965 -3.455 1.00 22.25 H new ATOM 0 HG2 ARG A 83 -5.406 -7.750 -1.129 1.00 15.41 H new ATOM 0 HG3 ARG A 83 -7.001 -8.449 -0.934 1.00 15.41 H new ATOM 0 HD2 ARG A 83 -5.812 -10.238 -1.782 1.00 62.21 H new ATOM 0 HD3 ARG A 83 -6.539 -9.582 -3.236 1.00 62.21 H new ATOM 0 HE ARG A 83 -4.070 -8.257 -3.029 1.00 12.43 H new ATOM 0 HH11 ARG A 83 -5.235 -11.559 -3.610 1.00 71.25 H new ATOM 0 HH12 ARG A 83 -3.691 -12.116 -4.263 1.00 71.25 H new ATOM 0 HH21 ARG A 83 -2.028 -9.034 -3.704 1.00 33.11 H new ATOM 0 HH22 ARG A 83 -1.872 -10.683 -4.316 1.00 33.11 H new ATOM 1262 N ILE A 84 -4.883 -5.039 -0.839 1.00 53.31 N ATOM 1263 CA ILE A 84 -3.607 -4.389 -0.768 1.00 62.35 C ATOM 1264 C ILE A 84 -2.530 -5.420 -0.569 1.00 73.42 C ATOM 1265 O ILE A 84 -2.693 -6.386 0.185 1.00 24.40 O ATOM 1266 CB ILE A 84 -3.575 -3.275 0.356 1.00 72.10 C ATOM 1267 CG1 ILE A 84 -3.976 -1.916 -0.203 1.00 61.25 C ATOM 1268 CG2 ILE A 84 -2.237 -3.167 1.069 1.00 72.52 C ATOM 1269 CD1 ILE A 84 -5.370 -1.844 -0.754 1.00 74.43 C ATOM 0 H ILE A 84 -5.176 -5.480 0.033 1.00 53.31 H new ATOM 0 HA ILE A 84 -3.424 -3.872 -1.710 1.00 62.35 H new ATOM 0 HB ILE A 84 -4.305 -3.593 1.100 1.00 72.10 H new ATOM 0 HG12 ILE A 84 -3.874 -1.171 0.586 1.00 61.25 H new ATOM 0 HG13 ILE A 84 -3.275 -1.643 -0.992 1.00 61.25 H new ATOM 0 HG21 ILE A 84 -2.290 -2.384 1.825 1.00 72.52 H new ATOM 0 HG22 ILE A 84 -2.002 -4.118 1.547 1.00 72.52 H new ATOM 0 HG23 ILE A 84 -1.458 -2.922 0.347 1.00 72.52 H new ATOM 0 HD11 ILE A 84 -5.562 -0.838 -1.128 1.00 74.43 H new ATOM 0 HD12 ILE A 84 -5.477 -2.560 -1.569 1.00 74.43 H new ATOM 0 HD13 ILE A 84 -6.085 -2.081 0.034 1.00 74.43 H new ATOM 1281 N SER A 85 -1.512 -5.293 -1.345 1.00 50.23 N ATOM 1282 CA SER A 85 -0.386 -6.149 -1.281 1.00 63.13 C ATOM 1283 C SER A 85 0.890 -5.325 -1.161 1.00 51.41 C ATOM 1284 O SER A 85 1.185 -4.510 -2.037 1.00 13.24 O ATOM 1285 CB SER A 85 -0.392 -7.029 -2.515 1.00 61.34 C ATOM 1286 OG SER A 85 -1.658 -7.686 -2.603 1.00 54.04 O ATOM 0 H SER A 85 -1.440 -4.570 -2.061 1.00 50.23 H new ATOM 0 HA SER A 85 -0.429 -6.787 -0.399 1.00 63.13 H new ATOM 0 HB2 SER A 85 -0.215 -6.429 -3.408 1.00 61.34 H new ATOM 0 HB3 SER A 85 0.412 -7.763 -2.459 1.00 61.34 H new ATOM 0 HG SER A 85 -2.226 -7.216 -3.249 1.00 54.04 H new ATOM 1292 N ILE A 86 1.616 -5.514 -0.089 1.00 62.42 N ATOM 1293 CA ILE A 86 2.854 -4.793 0.123 1.00 4.12 C ATOM 1294 C ILE A 86 3.990 -5.751 -0.165 1.00 50.43 C ATOM 1295 O ILE A 86 3.954 -6.889 0.288 1.00 75.02 O ATOM 1296 CB ILE A 86 3.049 -4.268 1.603 1.00 52.01 C ATOM 1297 CG1 ILE A 86 1.874 -3.426 2.123 1.00 14.22 C ATOM 1298 CG2 ILE A 86 4.328 -3.453 1.722 1.00 71.43 C ATOM 1299 CD1 ILE A 86 0.717 -4.214 2.690 1.00 73.43 C ATOM 0 H ILE A 86 1.373 -6.165 0.658 1.00 62.42 H new ATOM 0 HA ILE A 86 2.833 -3.921 -0.530 1.00 4.12 H new ATOM 0 HB ILE A 86 3.105 -5.164 2.221 1.00 52.01 H new ATOM 0 HG12 ILE A 86 2.245 -2.751 2.894 1.00 14.22 H new ATOM 0 HG13 ILE A 86 1.504 -2.805 1.307 1.00 14.22 H new ATOM 0 HG21 ILE A 86 4.442 -3.102 2.748 1.00 71.43 H new ATOM 0 HG22 ILE A 86 5.182 -4.075 1.454 1.00 71.43 H new ATOM 0 HG23 ILE A 86 4.278 -2.597 1.049 1.00 71.43 H new ATOM 0 HD11 ILE A 86 -0.059 -3.528 3.029 1.00 73.43 H new ATOM 0 HD12 ILE A 86 0.311 -4.869 1.919 1.00 73.43 H new ATOM 0 HD13 ILE A 86 1.063 -4.814 3.531 1.00 73.43 H new ATOM 1311 N LYS A 87 4.971 -5.318 -0.907 1.00 41.44 N ATOM 1312 CA LYS A 87 6.111 -6.155 -1.185 1.00 53.41 C ATOM 1313 C LYS A 87 7.329 -5.571 -0.522 1.00 11.52 C ATOM 1314 O LYS A 87 7.711 -4.432 -0.803 1.00 31.11 O ATOM 1315 CB LYS A 87 6.388 -6.219 -2.688 1.00 51.12 C ATOM 1316 CG LYS A 87 7.634 -7.043 -3.048 1.00 60.34 C ATOM 1317 CD LYS A 87 8.482 -6.351 -4.114 1.00 63.10 C ATOM 1318 CE LYS A 87 9.118 -5.052 -3.586 1.00 71.24 C ATOM 1319 NZ LYS A 87 9.790 -4.276 -4.657 1.00 30.44 N ATOM 0 H LYS A 87 5.007 -4.391 -1.331 1.00 41.44 H new ATOM 0 HA LYS A 87 5.896 -7.155 -0.808 1.00 53.41 H new ATOM 0 HB2 LYS A 87 5.521 -6.648 -3.191 1.00 51.12 H new ATOM 0 HB3 LYS A 87 6.510 -5.206 -3.070 1.00 51.12 H new ATOM 0 HG2 LYS A 87 8.235 -7.204 -2.153 1.00 60.34 H new ATOM 0 HG3 LYS A 87 7.329 -8.026 -3.407 1.00 60.34 H new ATOM 0 HD2 LYS A 87 9.266 -7.029 -4.451 1.00 63.10 H new ATOM 0 HD3 LYS A 87 7.862 -6.125 -4.982 1.00 63.10 H new ATOM 0 HE2 LYS A 87 8.348 -4.435 -3.123 1.00 71.24 H new ATOM 0 HE3 LYS A 87 9.842 -5.295 -2.808 1.00 71.24 H new ATOM 0 HZ1 LYS A 87 10.188 -3.403 -4.256 1.00 30.44 H new ATOM 0 HZ2 LYS A 87 10.555 -4.846 -5.071 1.00 30.44 H new ATOM 0 HZ3 LYS A 87 9.099 -4.034 -5.396 1.00 30.44 H new ATOM 1333 N TYR A 88 7.908 -6.314 0.360 1.00 14.31 N ATOM 1334 CA TYR A 88 9.137 -5.946 0.969 1.00 55.31 C ATOM 1335 C TYR A 88 10.167 -7.004 0.868 1.00 31.14 C ATOM 1336 O TYR A 88 9.842 -8.172 0.857 1.00 52.22 O ATOM 1337 CB TYR A 88 8.953 -5.519 2.379 1.00 62.11 C ATOM 1338 CG TYR A 88 8.925 -4.025 2.493 1.00 54.34 C ATOM 1339 CD1 TYR A 88 10.101 -3.306 2.404 1.00 52.05 C ATOM 1340 CD2 TYR A 88 7.746 -3.334 2.651 1.00 41.14 C ATOM 1341 CE1 TYR A 88 10.106 -1.939 2.477 1.00 30.15 C ATOM 1342 CE2 TYR A 88 7.740 -1.959 2.725 1.00 71.33 C ATOM 1343 CZ TYR A 88 8.928 -1.267 2.639 1.00 30.12 C ATOM 1344 OH TYR A 88 8.934 0.102 2.729 1.00 23.52 O ATOM 0 H TYR A 88 7.534 -7.207 0.681 1.00 14.31 H new ATOM 0 HA TYR A 88 9.503 -5.089 0.404 1.00 55.31 H new ATOM 0 HB2 TYR A 88 8.023 -5.934 2.769 1.00 62.11 H new ATOM 0 HB3 TYR A 88 9.762 -5.918 2.991 1.00 62.11 H new ATOM 0 HD1 TYR A 88 11.035 -3.833 2.274 1.00 52.05 H new ATOM 0 HD2 TYR A 88 6.814 -3.876 2.718 1.00 41.14 H new ATOM 0 HE1 TYR A 88 11.036 -1.395 2.407 1.00 30.15 H new ATOM 0 HE2 TYR A 88 6.809 -1.426 2.850 1.00 71.33 H new ATOM 0 HH TYR A 88 9.686 0.460 2.213 1.00 23.52 H new ATOM 1354 N GLY A 89 11.401 -6.592 0.775 1.00 10.14 N ATOM 1355 CA GLY A 89 12.480 -7.524 0.802 1.00 53.52 C ATOM 1356 C GLY A 89 13.259 -7.397 2.080 1.00 74.00 C ATOM 1357 O GLY A 89 12.750 -7.736 3.150 1.00 24.40 O ATOM 0 H GLY A 89 11.679 -5.615 0.680 1.00 10.14 H new ATOM 0 HA2 GLY A 89 12.093 -8.539 0.705 1.00 53.52 H new ATOM 0 HA3 GLY A 89 13.138 -7.351 -0.050 1.00 53.52 H new ATOM 1361 N SER A 90 14.435 -6.817 1.971 1.00 20.31 N ATOM 1362 CA SER A 90 15.401 -6.668 3.062 1.00 21.31 C ATOM 1363 C SER A 90 14.853 -6.036 4.379 1.00 72.22 C ATOM 1364 O SER A 90 15.407 -6.282 5.444 1.00 62.55 O ATOM 1365 CB SER A 90 16.597 -5.874 2.547 1.00 25.24 C ATOM 1366 OG SER A 90 17.121 -6.487 1.381 1.00 20.41 O ATOM 0 H SER A 90 14.766 -6.419 1.092 1.00 20.31 H new ATOM 0 HA SER A 90 15.679 -7.680 3.355 1.00 21.31 H new ATOM 0 HB2 SER A 90 16.296 -4.850 2.325 1.00 25.24 H new ATOM 0 HB3 SER A 90 17.367 -5.820 3.317 1.00 25.24 H new ATOM 0 HG SER A 90 17.120 -5.842 0.643 1.00 20.41 H new ATOM 1372 N GLN A 91 13.786 -5.228 4.324 1.00 30.45 N ATOM 1373 CA GLN A 91 13.302 -4.611 5.576 1.00 64.53 C ATOM 1374 C GLN A 91 12.173 -5.435 6.183 1.00 51.42 C ATOM 1375 O GLN A 91 11.939 -5.391 7.388 1.00 25.32 O ATOM 1376 CB GLN A 91 12.725 -3.209 5.360 1.00 53.43 C ATOM 1377 CG GLN A 91 13.346 -2.361 4.274 1.00 34.14 C ATOM 1378 CD GLN A 91 12.802 -0.940 4.315 1.00 63.02 C ATOM 1379 OE1 GLN A 91 11.699 -0.698 4.813 1.00 51.03 O ATOM 1380 NE2 GLN A 91 13.485 -0.038 3.701 1.00 23.03 N ATOM 0 H GLN A 91 13.263 -4.992 3.480 1.00 30.45 H new ATOM 0 HA GLN A 91 14.174 -4.564 6.228 1.00 64.53 H new ATOM 0 HB2 GLN A 91 11.662 -3.312 5.140 1.00 53.43 H new ATOM 0 HB3 GLN A 91 12.805 -2.663 6.300 1.00 53.43 H new ATOM 0 HG2 GLN A 91 14.429 -2.343 4.396 1.00 34.14 H new ATOM 0 HG3 GLN A 91 13.142 -2.805 3.300 1.00 34.14 H new ATOM 0 HE21 GLN A 91 14.394 -0.271 3.300 1.00 23.03 H new ATOM 0 HE22 GLN A 91 13.117 0.910 3.615 1.00 23.03 H new ATOM 1389 N GLY A 92 11.498 -6.206 5.346 1.00 31.23 N ATOM 1390 CA GLY A 92 10.289 -6.880 5.773 1.00 41.03 C ATOM 1391 C GLY A 92 9.113 -5.895 5.927 1.00 53.20 C ATOM 1392 O GLY A 92 9.245 -4.812 6.508 1.00 30.15 O ATOM 0 H GLY A 92 11.765 -6.378 4.377 1.00 31.23 H new ATOM 0 HA2 GLY A 92 10.026 -7.651 5.048 1.00 41.03 H new ATOM 0 HA3 GLY A 92 10.469 -7.384 6.723 1.00 41.03 H new ATOM 1396 N ASN A 93 7.963 -6.251 5.380 1.00 54.33 N ATOM 1397 CA ASN A 93 6.763 -5.386 5.460 1.00 21.32 C ATOM 1398 C ASN A 93 6.229 -5.225 6.884 1.00 35.21 C ATOM 1399 O ASN A 93 5.403 -4.371 7.101 1.00 33.22 O ATOM 1400 CB ASN A 93 5.588 -5.905 4.594 1.00 0.41 C ATOM 1401 CG ASN A 93 4.892 -7.139 5.186 1.00 35.43 C ATOM 1402 OD1 ASN A 93 4.016 -7.028 6.028 1.00 64.14 O ATOM 1403 ND2 ASN A 93 5.203 -8.292 4.689 1.00 73.11 N ATOM 0 H ASN A 93 7.819 -7.125 4.875 1.00 54.33 H new ATOM 0 HA ASN A 93 7.114 -4.425 5.084 1.00 21.32 H new ATOM 0 HB2 ASN A 93 4.855 -5.107 4.473 1.00 0.41 H new ATOM 0 HB3 ASN A 93 5.960 -6.149 3.599 1.00 0.41 H new ATOM 0 HD21 ASN A 93 4.713 -9.131 5.000 1.00 73.11 H new ATOM 0 HD22 ASN A 93 5.939 -8.363 3.986 1.00 73.11 H new ATOM 1410 N SER A 94 6.735 -6.007 7.830 1.00 14.41 N ATOM 1411 CA SER A 94 6.190 -6.124 9.185 1.00 53.13 C ATOM 1412 C SER A 94 5.827 -4.762 9.835 1.00 4.11 C ATOM 1413 O SER A 94 4.675 -4.533 10.201 1.00 55.32 O ATOM 1414 CB SER A 94 7.211 -6.871 10.027 1.00 42.20 C ATOM 1415 OG SER A 94 7.657 -8.031 9.325 1.00 55.41 O ATOM 0 H SER A 94 7.556 -6.593 7.677 1.00 14.41 H new ATOM 0 HA SER A 94 5.246 -6.667 9.129 1.00 53.13 H new ATOM 0 HB2 SER A 94 8.057 -6.222 10.251 1.00 42.20 H new ATOM 0 HB3 SER A 94 6.769 -7.159 10.981 1.00 42.20 H new ATOM 0 HG SER A 94 8.316 -8.510 9.870 1.00 55.41 H new ATOM 1421 N ILE A 95 6.782 -3.859 9.931 1.00 54.31 N ATOM 1422 CA ILE A 95 6.522 -2.561 10.540 1.00 52.34 C ATOM 1423 C ILE A 95 5.751 -1.637 9.590 1.00 41.23 C ATOM 1424 O ILE A 95 4.856 -0.890 10.000 1.00 42.12 O ATOM 1425 CB ILE A 95 7.841 -1.885 10.979 1.00 2.50 C ATOM 1426 CG1 ILE A 95 8.580 -2.772 11.983 1.00 30.52 C ATOM 1427 CG2 ILE A 95 7.602 -0.492 11.557 1.00 3.22 C ATOM 1428 CD1 ILE A 95 7.731 -3.282 13.136 1.00 33.03 C ATOM 0 H ILE A 95 7.737 -3.993 9.600 1.00 54.31 H new ATOM 0 HA ILE A 95 5.904 -2.735 11.421 1.00 52.34 H new ATOM 0 HB ILE A 95 8.463 -1.761 10.093 1.00 2.50 H new ATOM 0 HG12 ILE A 95 8.996 -3.628 11.452 1.00 30.52 H new ATOM 0 HG13 ILE A 95 9.421 -2.211 12.391 1.00 30.52 H new ATOM 0 HG21 ILE A 95 8.555 -0.053 11.853 1.00 3.22 H new ATOM 0 HG22 ILE A 95 7.130 0.138 10.804 1.00 3.22 H new ATOM 0 HG23 ILE A 95 6.951 -0.566 12.428 1.00 3.22 H new ATOM 0 HD11 ILE A 95 8.343 -3.901 13.793 1.00 33.03 H new ATOM 0 HD12 ILE A 95 7.336 -2.436 13.699 1.00 33.03 H new ATOM 0 HD13 ILE A 95 6.905 -3.875 12.745 1.00 33.03 H new ATOM 1440 N ARG A 96 6.071 -1.744 8.323 1.00 70.43 N ATOM 1441 CA ARG A 96 5.509 -0.882 7.294 1.00 74.11 C ATOM 1442 C ARG A 96 4.019 -1.123 7.130 1.00 73.22 C ATOM 1443 O ARG A 96 3.241 -0.190 7.144 1.00 75.31 O ATOM 1444 CB ARG A 96 6.208 -1.133 5.965 1.00 5.24 C ATOM 1445 CG ARG A 96 7.721 -1.042 6.031 1.00 13.10 C ATOM 1446 CD ARG A 96 8.210 0.336 6.432 1.00 10.05 C ATOM 1447 NE ARG A 96 9.665 0.368 6.453 1.00 4.04 N ATOM 1448 CZ ARG A 96 10.429 1.189 7.170 1.00 4.32 C ATOM 1449 NH1 ARG A 96 9.879 2.145 7.932 1.00 52.32 N ATOM 1450 NH2 ARG A 96 11.746 1.063 7.083 1.00 34.11 N ATOM 0 H ARG A 96 6.733 -2.434 7.968 1.00 70.43 H new ATOM 0 HA ARG A 96 5.663 0.152 7.603 1.00 74.11 H new ATOM 0 HB2 ARG A 96 5.930 -2.123 5.602 1.00 5.24 H new ATOM 0 HB3 ARG A 96 5.843 -0.412 5.234 1.00 5.24 H new ATOM 0 HG2 ARG A 96 8.094 -1.777 6.745 1.00 13.10 H new ATOM 0 HG3 ARG A 96 8.139 -1.302 5.058 1.00 13.10 H new ATOM 0 HD2 ARG A 96 7.833 1.081 5.732 1.00 10.05 H new ATOM 0 HD3 ARG A 96 7.819 0.596 7.416 1.00 10.05 H new ATOM 0 HE ARG A 96 10.148 -0.306 5.859 1.00 4.04 H new ATOM 0 HH11 ARG A 96 8.865 2.249 7.967 1.00 52.32 H new ATOM 0 HH12 ARG A 96 10.475 2.768 8.477 1.00 52.32 H new ATOM 0 HH21 ARG A 96 12.151 0.350 6.477 1.00 34.11 H new ATOM 0 HH22 ARG A 96 12.354 1.680 7.622 1.00 34.11 H new ATOM 1464 N SER A 97 3.649 -2.382 7.011 1.00 11.22 N ATOM 1465 CA SER A 97 2.280 -2.798 6.799 1.00 0.42 C ATOM 1466 C SER A 97 1.415 -2.396 7.988 1.00 72.11 C ATOM 1467 O SER A 97 0.321 -1.860 7.810 1.00 30.42 O ATOM 1468 CB SER A 97 2.238 -4.317 6.579 1.00 44.31 C ATOM 1469 OG SER A 97 0.949 -4.768 6.248 1.00 74.42 O ATOM 0 H SER A 97 4.307 -3.160 7.060 1.00 11.22 H new ATOM 0 HA SER A 97 1.882 -2.303 5.913 1.00 0.42 H new ATOM 0 HB2 SER A 97 2.932 -4.587 5.783 1.00 44.31 H new ATOM 0 HB3 SER A 97 2.578 -4.823 7.483 1.00 44.31 H new ATOM 0 HG SER A 97 1.014 -5.618 5.764 1.00 74.42 H new ATOM 1475 N SER A 98 1.945 -2.602 9.193 1.00 1.23 N ATOM 1476 CA SER A 98 1.253 -2.258 10.418 1.00 14.25 C ATOM 1477 C SER A 98 0.866 -0.768 10.424 1.00 74.41 C ATOM 1478 O SER A 98 -0.288 -0.408 10.699 1.00 41.45 O ATOM 1479 CB SER A 98 2.144 -2.608 11.619 1.00 43.14 C ATOM 1480 OG SER A 98 2.456 -3.999 11.620 1.00 41.41 O ATOM 0 H SER A 98 2.867 -3.013 9.339 1.00 1.23 H new ATOM 0 HA SER A 98 0.330 -2.833 10.487 1.00 14.25 H new ATOM 0 HB2 SER A 98 3.063 -2.023 11.580 1.00 43.14 H new ATOM 0 HB3 SER A 98 1.636 -2.342 12.546 1.00 43.14 H new ATOM 0 HG SER A 98 3.156 -4.178 10.958 1.00 41.41 H new ATOM 1486 N ALA A 99 1.819 0.083 10.084 1.00 62.22 N ATOM 1487 CA ALA A 99 1.561 1.504 10.015 1.00 65.12 C ATOM 1488 C ALA A 99 0.666 1.847 8.828 1.00 45.42 C ATOM 1489 O ALA A 99 -0.263 2.638 8.961 1.00 12.41 O ATOM 1490 CB ALA A 99 2.860 2.294 9.972 1.00 21.11 C ATOM 0 H ALA A 99 2.775 -0.188 9.853 1.00 62.22 H new ATOM 0 HA ALA A 99 1.028 1.789 10.922 1.00 65.12 H new ATOM 0 HB1 ALA A 99 2.636 3.360 9.920 1.00 21.11 H new ATOM 0 HB2 ALA A 99 3.441 2.088 10.871 1.00 21.11 H new ATOM 0 HB3 ALA A 99 3.435 2.001 9.094 1.00 21.11 H new ATOM 1496 N LEU A 100 0.931 1.209 7.687 1.00 23.10 N ATOM 1497 CA LEU A 100 0.216 1.460 6.449 1.00 25.21 C ATOM 1498 C LEU A 100 -1.264 1.240 6.634 1.00 24.43 C ATOM 1499 O LEU A 100 -2.060 2.094 6.298 1.00 54.33 O ATOM 1500 CB LEU A 100 0.721 0.531 5.346 1.00 70.04 C ATOM 1501 CG LEU A 100 0.275 0.879 3.933 1.00 61.13 C ATOM 1502 CD1 LEU A 100 0.836 2.227 3.510 1.00 22.52 C ATOM 1503 CD2 LEU A 100 0.689 -0.200 2.969 1.00 74.13 C ATOM 0 H LEU A 100 1.657 0.497 7.603 1.00 23.10 H new ATOM 0 HA LEU A 100 0.393 2.497 6.165 1.00 25.21 H new ATOM 0 HB2 LEU A 100 1.811 0.525 5.372 1.00 70.04 H new ATOM 0 HB3 LEU A 100 0.391 -0.483 5.572 1.00 70.04 H new ATOM 0 HG LEU A 100 -0.813 0.947 3.922 1.00 61.13 H new ATOM 0 HD11 LEU A 100 0.505 2.457 2.497 1.00 22.52 H new ATOM 0 HD12 LEU A 100 0.480 2.999 4.192 1.00 22.52 H new ATOM 0 HD13 LEU A 100 1.925 2.193 3.537 1.00 22.52 H new ATOM 0 HD21 LEU A 100 0.362 0.065 1.964 1.00 74.13 H new ATOM 0 HD22 LEU A 100 1.774 -0.303 2.982 1.00 74.13 H new ATOM 0 HD23 LEU A 100 0.231 -1.145 3.262 1.00 74.13 H new ATOM 1515 N ILE A 101 -1.607 0.117 7.227 1.00 23.33 N ATOM 1516 CA ILE A 101 -2.999 -0.243 7.459 1.00 55.31 C ATOM 1517 C ILE A 101 -3.697 0.804 8.326 1.00 3.33 C ATOM 1518 O ILE A 101 -4.815 1.236 8.004 1.00 41.31 O ATOM 1519 CB ILE A 101 -3.123 -1.664 8.096 1.00 50.54 C ATOM 1520 CG1 ILE A 101 -2.638 -2.751 7.112 1.00 12.32 C ATOM 1521 CG2 ILE A 101 -4.537 -1.955 8.589 1.00 3.51 C ATOM 1522 CD1 ILE A 101 -3.383 -2.786 5.784 1.00 12.22 C ATOM 0 H ILE A 101 -0.936 -0.573 7.563 1.00 23.33 H new ATOM 0 HA ILE A 101 -3.497 -0.270 6.490 1.00 55.31 H new ATOM 0 HB ILE A 101 -2.475 -1.682 8.972 1.00 50.54 H new ATOM 0 HG12 ILE A 101 -1.577 -2.595 6.914 1.00 12.32 H new ATOM 0 HG13 ILE A 101 -2.733 -3.725 7.592 1.00 12.32 H new ATOM 0 HG21 ILE A 101 -4.572 -2.954 9.023 1.00 3.51 H new ATOM 0 HG22 ILE A 101 -4.817 -1.221 9.344 1.00 3.51 H new ATOM 0 HG23 ILE A 101 -5.233 -1.898 7.752 1.00 3.51 H new ATOM 0 HD11 ILE A 101 -2.974 -3.580 5.158 1.00 12.22 H new ATOM 0 HD12 ILE A 101 -4.441 -2.975 5.965 1.00 12.22 H new ATOM 0 HD13 ILE A 101 -3.267 -1.828 5.277 1.00 12.22 H new ATOM 1534 N GLY A 102 -3.003 1.259 9.368 1.00 73.02 N ATOM 1535 CA GLY A 102 -3.555 2.267 10.253 1.00 64.23 C ATOM 1536 C GLY A 102 -3.826 3.564 9.531 1.00 11.04 C ATOM 1537 O GLY A 102 -4.880 4.171 9.688 1.00 52.25 O ATOM 0 H GLY A 102 -2.064 0.944 9.614 1.00 73.02 H new ATOM 0 HA2 GLY A 102 -4.481 1.896 10.692 1.00 64.23 H new ATOM 0 HA3 GLY A 102 -2.862 2.447 11.075 1.00 64.23 H new ATOM 1541 N ILE A 103 -2.890 3.962 8.722 1.00 24.13 N ATOM 1542 CA ILE A 103 -2.988 5.188 7.967 1.00 64.10 C ATOM 1543 C ILE A 103 -4.041 5.079 6.857 1.00 15.12 C ATOM 1544 O ILE A 103 -4.804 6.029 6.621 1.00 65.10 O ATOM 1545 CB ILE A 103 -1.613 5.560 7.382 1.00 3.14 C ATOM 1546 CG1 ILE A 103 -0.618 5.748 8.530 1.00 3.35 C ATOM 1547 CG2 ILE A 103 -1.710 6.831 6.539 1.00 33.32 C ATOM 1548 CD1 ILE A 103 0.818 5.789 8.099 1.00 5.23 C ATOM 0 H ILE A 103 -2.026 3.444 8.562 1.00 24.13 H new ATOM 0 HA ILE A 103 -3.308 5.980 8.644 1.00 64.10 H new ATOM 0 HB ILE A 103 -1.268 4.757 6.731 1.00 3.14 H new ATOM 0 HG12 ILE A 103 -0.855 6.674 9.053 1.00 3.35 H new ATOM 0 HG13 ILE A 103 -0.748 4.936 9.245 1.00 3.35 H new ATOM 0 HG21 ILE A 103 -0.728 7.076 6.135 1.00 33.32 H new ATOM 0 HG22 ILE A 103 -2.410 6.671 5.719 1.00 33.32 H new ATOM 0 HG23 ILE A 103 -2.062 7.654 7.161 1.00 33.32 H new ATOM 0 HD11 ILE A 103 1.456 5.925 8.972 1.00 5.23 H new ATOM 0 HD12 ILE A 103 1.076 4.853 7.603 1.00 5.23 H new ATOM 0 HD13 ILE A 103 0.967 6.619 7.408 1.00 5.23 H new ATOM 1560 N ILE A 104 -4.112 3.918 6.211 1.00 23.05 N ATOM 1561 CA ILE A 104 -5.050 3.722 5.125 1.00 12.15 C ATOM 1562 C ILE A 104 -6.475 3.822 5.631 1.00 32.31 C ATOM 1563 O ILE A 104 -7.268 4.604 5.098 1.00 31.21 O ATOM 1564 CB ILE A 104 -4.837 2.355 4.389 1.00 40.41 C ATOM 1565 CG1 ILE A 104 -3.515 2.361 3.605 1.00 51.42 C ATOM 1566 CG2 ILE A 104 -6.009 2.031 3.450 1.00 61.43 C ATOM 1567 CD1 ILE A 104 -3.177 1.025 2.967 1.00 14.03 C ATOM 0 H ILE A 104 -3.532 3.107 6.424 1.00 23.05 H new ATOM 0 HA ILE A 104 -4.865 4.514 4.400 1.00 12.15 H new ATOM 0 HB ILE A 104 -4.792 1.577 5.151 1.00 40.41 H new ATOM 0 HG12 ILE A 104 -3.568 3.122 2.827 1.00 51.42 H new ATOM 0 HG13 ILE A 104 -2.706 2.648 4.277 1.00 51.42 H new ATOM 0 HG21 ILE A 104 -5.827 1.076 2.957 1.00 61.43 H new ATOM 0 HG22 ILE A 104 -6.932 1.971 4.027 1.00 61.43 H new ATOM 0 HG23 ILE A 104 -6.101 2.816 2.699 1.00 61.43 H new ATOM 0 HD11 ILE A 104 -2.231 1.107 2.431 1.00 14.03 H new ATOM 0 HD12 ILE A 104 -3.091 0.263 3.742 1.00 14.03 H new ATOM 0 HD13 ILE A 104 -3.966 0.745 2.269 1.00 14.03 H new ATOM 1579 N GLU A 105 -6.791 3.089 6.690 1.00 43.31 N ATOM 1580 CA GLU A 105 -8.124 3.153 7.229 1.00 2.53 C ATOM 1581 C GLU A 105 -8.381 4.526 7.847 1.00 2.14 C ATOM 1582 O GLU A 105 -9.468 5.076 7.721 1.00 45.04 O ATOM 1583 CB GLU A 105 -8.425 2.018 8.208 1.00 73.15 C ATOM 1584 CG GLU A 105 -7.728 2.106 9.542 1.00 22.43 C ATOM 1585 CD GLU A 105 -8.746 2.038 10.650 1.00 61.11 C ATOM 1586 OE1 GLU A 105 -9.255 0.942 10.942 1.00 13.43 O ATOM 1587 OE2 GLU A 105 -9.151 3.104 11.150 1.00 51.21 O ATOM 0 H GLU A 105 -6.153 2.460 7.177 1.00 43.31 H new ATOM 0 HA GLU A 105 -8.818 3.014 6.400 1.00 2.53 H new ATOM 0 HB2 GLU A 105 -9.501 1.988 8.382 1.00 73.15 H new ATOM 0 HB3 GLU A 105 -8.151 1.074 7.737 1.00 73.15 H new ATOM 0 HG2 GLU A 105 -7.011 1.292 9.643 1.00 22.43 H new ATOM 0 HG3 GLU A 105 -7.165 3.037 9.609 1.00 22.43 H new ATOM 1594 N GLY A 106 -7.339 5.082 8.459 1.00 34.22 N ATOM 1595 CA GLY A 106 -7.405 6.371 9.127 1.00 53.13 C ATOM 1596 C GLY A 106 -7.792 7.506 8.202 1.00 15.04 C ATOM 1597 O GLY A 106 -8.628 8.345 8.554 1.00 60.21 O ATOM 0 H GLY A 106 -6.419 4.644 8.504 1.00 34.22 H new ATOM 0 HA2 GLY A 106 -8.127 6.314 9.942 1.00 53.13 H new ATOM 0 HA3 GLY A 106 -6.436 6.591 9.574 1.00 53.13 H new ATOM 1601 N ASN A 107 -7.215 7.532 7.013 1.00 22.21 N ATOM 1602 CA ASN A 107 -7.542 8.572 6.029 1.00 15.51 C ATOM 1603 C ASN A 107 -8.990 8.405 5.580 1.00 42.02 C ATOM 1604 O ASN A 107 -9.712 9.379 5.354 1.00 71.34 O ATOM 1605 CB ASN A 107 -6.585 8.519 4.829 1.00 4.30 C ATOM 1606 CG ASN A 107 -6.781 9.669 3.837 1.00 22.43 C ATOM 1607 OD1 ASN A 107 -7.559 9.445 2.799 1.00 34.11 O flip ATOM 1608 ND2 ASN A 107 -6.202 10.735 3.997 1.00 13.22 N flip ATOM 0 H ASN A 107 -6.521 6.854 6.699 1.00 22.21 H new ATOM 0 HA ASN A 107 -7.423 9.550 6.495 1.00 15.51 H new ATOM 0 HB2 ASN A 107 -5.558 8.536 5.193 1.00 4.30 H new ATOM 0 HB3 ASN A 107 -6.723 7.572 4.307 1.00 4.30 H new ATOM 0 HD21 ASN A 107 -5.607 10.874 4.813 1.00 13.22 H new ATOM 0 HD22 ASN A 107 -6.315 11.484 3.314 1.00 13.22 H new ATOM 1615 N ILE A 108 -9.421 7.157 5.506 1.00 71.01 N ATOM 1616 CA ILE A 108 -10.792 6.827 5.170 1.00 5.45 C ATOM 1617 C ILE A 108 -11.729 7.301 6.295 1.00 64.01 C ATOM 1618 O ILE A 108 -12.793 7.814 6.030 1.00 15.32 O ATOM 1619 CB ILE A 108 -10.958 5.303 4.894 1.00 25.32 C ATOM 1620 CG1 ILE A 108 -10.078 4.904 3.699 1.00 11.41 C ATOM 1621 CG2 ILE A 108 -12.424 4.947 4.624 1.00 12.22 C ATOM 1622 CD1 ILE A 108 -10.003 3.419 3.446 1.00 12.31 C ATOM 0 H ILE A 108 -8.828 6.345 5.678 1.00 71.01 H new ATOM 0 HA ILE A 108 -11.062 7.345 4.250 1.00 5.45 H new ATOM 0 HB ILE A 108 -10.642 4.749 5.778 1.00 25.32 H new ATOM 0 HG12 ILE A 108 -10.460 5.394 2.803 1.00 11.41 H new ATOM 0 HG13 ILE A 108 -9.069 5.283 3.864 1.00 11.41 H new ATOM 0 HG21 ILE A 108 -12.510 3.877 4.435 1.00 12.22 H new ATOM 0 HG22 ILE A 108 -13.028 5.211 5.492 1.00 12.22 H new ATOM 0 HG23 ILE A 108 -12.778 5.499 3.753 1.00 12.22 H new ATOM 0 HD11 ILE A 108 -9.362 3.228 2.585 1.00 12.31 H new ATOM 0 HD12 ILE A 108 -9.591 2.921 4.323 1.00 12.31 H new ATOM 0 HD13 ILE A 108 -11.003 3.033 3.246 1.00 12.31 H new ATOM 1634 N ARG A 109 -11.288 7.147 7.555 1.00 0.32 N ATOM 1635 CA ARG A 109 -12.062 7.612 8.726 1.00 44.41 C ATOM 1636 C ARG A 109 -12.295 9.116 8.626 1.00 40.30 C ATOM 1637 O ARG A 109 -13.361 9.612 8.968 1.00 45.00 O ATOM 1638 CB ARG A 109 -11.333 7.328 10.058 1.00 61.41 C ATOM 1639 CG ARG A 109 -10.930 5.884 10.298 1.00 11.41 C ATOM 1640 CD ARG A 109 -12.108 4.935 10.289 1.00 11.53 C ATOM 1641 NE ARG A 109 -11.669 3.555 10.486 1.00 64.12 N ATOM 1642 CZ ARG A 109 -12.370 2.461 10.213 1.00 61.31 C ATOM 1643 NH1 ARG A 109 -13.602 2.556 9.696 1.00 25.31 N ATOM 1644 NH2 ARG A 109 -11.831 1.264 10.428 1.00 20.35 N ATOM 0 H ARG A 109 -10.400 6.705 7.792 1.00 0.32 H new ATOM 0 HA ARG A 109 -13.005 7.066 8.721 1.00 44.41 H new ATOM 0 HB2 ARG A 109 -10.437 7.947 10.098 1.00 61.41 H new ATOM 0 HB3 ARG A 109 -11.977 7.646 10.878 1.00 61.41 H new ATOM 0 HG2 ARG A 109 -10.218 5.579 9.531 1.00 11.41 H new ATOM 0 HG3 ARG A 109 -10.417 5.810 11.257 1.00 11.41 H new ATOM 0 HD2 ARG A 109 -12.810 5.213 11.075 1.00 11.53 H new ATOM 0 HD3 ARG A 109 -12.641 5.019 9.342 1.00 11.53 H new ATOM 0 HE ARG A 109 -10.734 3.419 10.870 1.00 64.12 H new ATOM 0 HH11 ARG A 109 -14.007 3.473 9.509 1.00 25.31 H new ATOM 0 HH12 ARG A 109 -14.135 1.711 9.489 1.00 25.31 H new ATOM 0 HH21 ARG A 109 -10.884 1.190 10.801 1.00 20.35 H new ATOM 0 HH22 ARG A 109 -12.364 0.420 10.220 1.00 20.35 H new ATOM 1658 N TYR A 110 -11.285 9.824 8.144 1.00 72.24 N ATOM 1659 CA TYR A 110 -11.361 11.263 7.958 1.00 22.05 C ATOM 1660 C TYR A 110 -12.388 11.601 6.871 1.00 65.44 C ATOM 1661 O TYR A 110 -13.215 12.478 7.041 1.00 60.33 O ATOM 1662 CB TYR A 110 -9.970 11.821 7.608 1.00 0.02 C ATOM 1663 CG TYR A 110 -9.911 13.326 7.430 1.00 12.42 C ATOM 1664 CD1 TYR A 110 -9.897 14.175 8.532 1.00 64.44 C ATOM 1665 CD2 TYR A 110 -9.866 13.899 6.162 1.00 73.31 C ATOM 1666 CE1 TYR A 110 -9.841 15.547 8.376 1.00 22.54 C ATOM 1667 CE2 TYR A 110 -9.808 15.269 6.000 1.00 52.52 C ATOM 1668 CZ TYR A 110 -9.796 16.088 7.110 1.00 21.02 C ATOM 1669 OH TYR A 110 -9.737 17.454 6.952 1.00 22.14 O ATOM 0 H TYR A 110 -10.391 9.417 7.871 1.00 72.24 H new ATOM 0 HA TYR A 110 -11.690 11.731 8.886 1.00 22.05 H new ATOM 0 HB2 TYR A 110 -9.272 11.535 8.395 1.00 0.02 H new ATOM 0 HB3 TYR A 110 -9.626 11.347 6.689 1.00 0.02 H new ATOM 0 HD1 TYR A 110 -9.930 13.755 9.526 1.00 64.44 H new ATOM 0 HD2 TYR A 110 -9.877 13.261 5.290 1.00 73.31 H new ATOM 0 HE1 TYR A 110 -9.833 16.192 9.242 1.00 22.54 H new ATOM 0 HE2 TYR A 110 -9.772 15.697 5.009 1.00 52.52 H new ATOM 0 HH TYR A 110 -9.710 17.672 5.997 1.00 22.14 H new ATOM 1679 N ALA A 111 -12.324 10.888 5.763 1.00 42.11 N ATOM 1680 CA ALA A 111 -13.275 11.071 4.661 1.00 21.33 C ATOM 1681 C ALA A 111 -14.698 10.639 5.062 1.00 21.45 C ATOM 1682 O ALA A 111 -15.670 11.101 4.512 1.00 53.14 O ATOM 1683 CB ALA A 111 -12.811 10.303 3.432 1.00 64.32 C ATOM 0 H ALA A 111 -11.621 10.169 5.593 1.00 42.11 H new ATOM 0 HA ALA A 111 -13.309 12.134 4.423 1.00 21.33 H new ATOM 0 HB1 ALA A 111 -13.526 10.447 2.622 1.00 64.32 H new ATOM 0 HB2 ALA A 111 -11.832 10.669 3.122 1.00 64.32 H new ATOM 0 HB3 ALA A 111 -12.742 9.242 3.671 1.00 64.32 H new ATOM 1689 N ASN A 112 -14.776 9.757 6.042 1.00 3.41 N ATOM 1690 CA ASN A 112 -16.033 9.164 6.515 1.00 22.13 C ATOM 1691 C ASN A 112 -16.860 10.194 7.314 1.00 74.51 C ATOM 1692 O ASN A 112 -18.051 9.999 7.544 1.00 0.52 O ATOM 1693 CB ASN A 112 -15.690 7.936 7.409 1.00 62.02 C ATOM 1694 CG ASN A 112 -16.825 6.924 7.689 1.00 22.30 C ATOM 1695 OD1 ASN A 112 -16.554 5.739 7.882 1.00 2.31 O ATOM 1696 ND2 ASN A 112 -18.060 7.349 7.734 1.00 71.21 N ATOM 0 H ASN A 112 -13.956 9.420 6.547 1.00 3.41 H new ATOM 0 HA ASN A 112 -16.633 8.850 5.661 1.00 22.13 H new ATOM 0 HB2 ASN A 112 -14.866 7.398 6.941 1.00 62.02 H new ATOM 0 HB3 ASN A 112 -15.325 8.307 8.367 1.00 62.02 H new ATOM 0 HD21 ASN A 112 -18.817 6.695 7.932 1.00 71.21 H new ATOM 0 HD22 ASN A 112 -18.266 8.335 7.572 1.00 71.21 H new