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 93 ASN : amide:sc= -1.97! C(o=-0.21!,f=-6.5!) USER MOD Set 1.2: A 97 SER OG : rot -58:sc= 1.77 USER MOD Set 2.1: A 67 THR OG1 : rot 170:sc= 0.987 USER MOD Set 2.2: A 90 SER OG : rot 129:sc= 1.22 USER MOD Set 3.1: A 17 ASN : amide:sc= -0.463 K(o=-0.51,f=-1.4!) USER MOD Set 3.2: A 79 ASN : amide:sc= -0.0463 X(o=-0.51,f=-0.66) USER MOD Set 4.1: A 54 THR OG1 : rot -26:sc= 0.667 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -171:sc= -0.538! (180deg=-1.57!) USER MOD Set 5.1: A 42 ASN : amide:sc= 0.407 X(o=1.3,f=1.7) USER MOD Set 5.2: A 62 SER OG : rot -56:sc= 0.921 USER MOD Set 6.1: A 39 TYR OH : rot -116:sc= -0.254 USER MOD Set 6.2: A 40 LYS NZ :NH3+ -173:sc= 1.21 (180deg=0.706) USER MOD Set 6.3: A 44 TYR OH : rot 24:sc= 1.94 USER MOD Set 6.4: A 88 TYR OH : rot -119:sc= 2.13 USER MOD Set 6.5: A 91 GLN : amide:sc= 0.234 K(o=5.2,f=-1.4!) USER MOD Set 7.1: A 29 GLN : amide:sc= -0.212 X(o=-0.43,f=-0.8) USER MOD Set 7.2: A 32 GLN :FLIP amide:sc= -0.221 F(o=-1.7,f=-0.43) USER MOD Set 8.1: A 19 ASN : amide:sc= 1.87 K(o=2.8,f=-3.6!) USER MOD Set 8.2: A 80 ASN : amide:sc= 0.96 K(o=2.8,f=-3.6) USER MOD Set 9.1: A 11 TYR OH : rot 180:sc= -0.554 USER MOD Set 9.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0114 F(o=-0.74,f=-0.011) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 1.15 (180deg=-0.351) 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 137:sc= 0.746 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 33 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.063) USER MOD Single : A 35 GLN : amide:sc= -0.184 K(o=-0.18,f=-4.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -39:sc= 0.643 USER MOD Single : A 47 SER OG : rot -150:sc= 0.0887 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0.374 (180deg=-0.403!) USER MOD Single : A 51 ASN : amide:sc= 0.463 K(o=0.46,f=-3.1!) USER MOD Single : A 52 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.2) USER MOD Single : A 60 SER OG : rot 82:sc= 1.18 USER MOD Single : A 64 SER OG : rot 4:sc= 0.221 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= -0.565 USER MOD Single : A 71 GLN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 74 MET CE :methyl -156:sc= -0.514 (180deg=-1.96) USER MOD Single : A 75 LYS NZ :NH3+ -131:sc= 0.499 (180deg=-2.67!) USER MOD Single : A 82 THR OG1 : rot 72:sc= 0.565 USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.982) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= -0.811 F(o=-2.2!,f=-0.81) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.301 -12.013 4.775 1.00 61.34 N ATOM 73 CA GLN A 6 -1.206 -12.943 4.570 1.00 53.51 C ATOM 74 C GLN A 6 0.048 -12.180 4.219 1.00 4.11 C ATOM 75 O GLN A 6 0.005 -11.221 3.449 1.00 62.24 O ATOM 76 CB GLN A 6 -1.514 -13.929 3.425 1.00 74.13 C ATOM 77 CG GLN A 6 -2.663 -14.903 3.682 1.00 41.12 C ATOM 78 CD GLN A 6 -2.397 -15.880 4.827 1.00 75.33 C ATOM 79 OE1 GLN A 6 -1.153 -16.270 5.022 1.00 64.12 O flip ATOM 80 NE2 GLN A 6 -3.309 -16.309 5.505 1.00 30.13 N flip ATOM 0 HA GLN A 6 -1.069 -13.505 5.494 1.00 53.51 H new ATOM 0 HB2 GLN A 6 -1.742 -13.355 2.527 1.00 74.13 H new ATOM 0 HB3 GLN A 6 -0.613 -14.506 3.214 1.00 74.13 H new ATOM 0 HG2 GLN A 6 -3.566 -14.335 3.904 1.00 41.12 H new ATOM 0 HG3 GLN A 6 -2.858 -15.469 2.771 1.00 41.12 H new ATOM 0 HE21 GLN A 6 -4.264 -15.992 5.335 1.00 30.13 H new ATOM 0 HE22 GLN A 6 -3.120 -16.986 6.244 1.00 30.13 H new ATOM 89 N TYR A 7 1.142 -12.571 4.812 1.00 3.11 N ATOM 90 CA TYR A 7 2.438 -12.042 4.473 1.00 72.51 C ATOM 91 C TYR A 7 3.368 -13.179 4.083 1.00 45.11 C ATOM 92 O TYR A 7 3.418 -14.197 4.777 1.00 14.24 O ATOM 93 CB TYR A 7 3.028 -11.156 5.600 1.00 11.53 C ATOM 94 CG TYR A 7 3.185 -11.820 6.960 1.00 40.15 C ATOM 95 CD1 TYR A 7 2.126 -11.865 7.860 1.00 71.44 C ATOM 96 CD2 TYR A 7 4.397 -12.383 7.348 1.00 40.24 C ATOM 97 CE1 TYR A 7 2.268 -12.453 9.101 1.00 23.32 C ATOM 98 CE2 TYR A 7 4.545 -12.975 8.585 1.00 15.24 C ATOM 99 CZ TYR A 7 3.478 -13.007 9.458 1.00 4.41 C ATOM 100 OH TYR A 7 3.622 -13.595 10.693 1.00 40.43 O ATOM 0 H TYR A 7 1.161 -13.273 5.552 1.00 3.11 H new ATOM 0 HA TYR A 7 2.325 -11.380 3.614 1.00 72.51 H new ATOM 0 HB2 TYR A 7 4.006 -10.797 5.278 1.00 11.53 H new ATOM 0 HB3 TYR A 7 2.390 -10.280 5.717 1.00 11.53 H new ATOM 0 HD1 TYR A 7 1.176 -11.432 7.583 1.00 71.44 H new ATOM 0 HD2 TYR A 7 5.236 -12.356 6.669 1.00 40.24 H new ATOM 0 HE1 TYR A 7 1.435 -12.479 9.788 1.00 23.32 H new ATOM 0 HE2 TYR A 7 5.492 -13.411 8.868 1.00 15.24 H new ATOM 0 HH TYR A 7 4.535 -13.938 10.788 1.00 40.43 H new ATOM 110 N LYS A 8 4.048 -13.049 2.980 1.00 65.13 N ATOM 111 CA LYS A 8 5.023 -14.037 2.575 1.00 72.11 C ATOM 112 C LYS A 8 6.092 -13.377 1.727 1.00 2.14 C ATOM 113 O LYS A 8 5.777 -12.645 0.819 1.00 44.14 O ATOM 114 CB LYS A 8 4.384 -15.188 1.779 1.00 62.01 C ATOM 115 CG LYS A 8 5.371 -16.317 1.494 1.00 74.53 C ATOM 116 CD LYS A 8 4.815 -17.356 0.543 1.00 71.24 C ATOM 117 CE LYS A 8 5.839 -18.462 0.272 1.00 0.22 C ATOM 118 NZ LYS A 8 7.125 -17.935 -0.262 1.00 33.05 N ATOM 0 H LYS A 8 3.948 -12.264 2.336 1.00 65.13 H new ATOM 0 HA LYS A 8 5.460 -14.458 3.481 1.00 72.11 H new ATOM 0 HB2 LYS A 8 3.535 -15.584 2.336 1.00 62.01 H new ATOM 0 HB3 LYS A 8 3.995 -14.802 0.836 1.00 62.01 H new ATOM 0 HG2 LYS A 8 6.284 -15.897 1.073 1.00 74.53 H new ATOM 0 HG3 LYS A 8 5.645 -16.799 2.432 1.00 74.53 H new ATOM 0 HD2 LYS A 8 3.909 -17.791 0.965 1.00 71.24 H new ATOM 0 HD3 LYS A 8 4.533 -16.880 -0.396 1.00 71.24 H new ATOM 0 HE2 LYS A 8 6.030 -19.009 1.195 1.00 0.22 H new ATOM 0 HE3 LYS A 8 5.419 -19.174 -0.439 1.00 0.22 H new ATOM 0 HZ1 LYS A 8 7.674 -18.714 -0.678 1.00 33.05 H new ATOM 0 HZ2 LYS A 8 6.931 -17.220 -0.992 1.00 33.05 H new ATOM 0 HZ3 LYS A 8 7.670 -17.502 0.511 1.00 33.05 H new ATOM 132 N ASP A 9 7.351 -13.626 2.072 1.00 41.35 N ATOM 133 CA ASP A 9 8.557 -13.136 1.334 1.00 73.12 C ATOM 134 C ASP A 9 8.534 -11.615 1.208 1.00 12.53 C ATOM 135 O ASP A 9 9.001 -11.053 0.208 1.00 31.43 O ATOM 136 CB ASP A 9 8.615 -13.711 -0.112 1.00 55.11 C ATOM 137 CG ASP A 9 8.300 -15.181 -0.233 1.00 64.20 C ATOM 138 OD1 ASP A 9 8.707 -15.992 0.632 1.00 40.42 O ATOM 139 OD2 ASP A 9 7.562 -15.559 -1.172 1.00 64.22 O ATOM 0 H ASP A 9 7.589 -14.186 2.890 1.00 41.35 H new ATOM 0 HA ASP A 9 9.423 -13.467 1.907 1.00 73.12 H new ATOM 0 HB2 ASP A 9 7.916 -13.154 -0.735 1.00 55.11 H new ATOM 0 HB3 ASP A 9 9.612 -13.535 -0.516 1.00 55.11 H new ATOM 144 N GLY A 10 8.059 -10.944 2.227 1.00 70.25 N ATOM 145 CA GLY A 10 7.977 -9.500 2.176 1.00 1.03 C ATOM 146 C GLY A 10 6.836 -9.016 1.280 1.00 4.23 C ATOM 147 O GLY A 10 6.826 -7.893 0.845 1.00 41.33 O ATOM 0 H GLY A 10 7.726 -11.365 3.094 1.00 70.25 H new ATOM 0 HA2 GLY A 10 7.835 -9.110 3.184 1.00 1.03 H new ATOM 0 HA3 GLY A 10 8.921 -9.097 1.808 1.00 1.03 H new ATOM 151 N TYR A 11 5.913 -9.878 0.997 1.00 70.15 N ATOM 152 CA TYR A 11 4.761 -9.553 0.192 1.00 2.45 C ATOM 153 C TYR A 11 3.516 -9.698 1.064 1.00 0.01 C ATOM 154 O TYR A 11 3.289 -10.746 1.663 1.00 13.23 O ATOM 155 CB TYR A 11 4.731 -10.477 -1.042 1.00 45.20 C ATOM 156 CG TYR A 11 3.655 -10.202 -2.066 1.00 62.02 C ATOM 157 CD1 TYR A 11 3.672 -9.045 -2.832 1.00 5.34 C ATOM 158 CD2 TYR A 11 2.651 -11.124 -2.302 1.00 13.04 C ATOM 159 CE1 TYR A 11 2.715 -8.814 -3.799 1.00 62.23 C ATOM 160 CE2 TYR A 11 1.688 -10.899 -3.261 1.00 61.24 C ATOM 161 CZ TYR A 11 1.725 -9.748 -4.006 1.00 53.21 C ATOM 162 OH TYR A 11 0.770 -9.535 -4.967 1.00 30.25 O ATOM 0 H TYR A 11 5.931 -10.845 1.320 1.00 70.15 H new ATOM 0 HA TYR A 11 4.801 -8.527 -0.175 1.00 2.45 H new ATOM 0 HB2 TYR A 11 5.699 -10.413 -1.539 1.00 45.20 H new ATOM 0 HB3 TYR A 11 4.618 -11.504 -0.696 1.00 45.20 H new ATOM 0 HD1 TYR A 11 4.448 -8.312 -2.668 1.00 5.34 H new ATOM 0 HD2 TYR A 11 2.622 -12.036 -1.724 1.00 13.04 H new ATOM 0 HE1 TYR A 11 2.742 -7.909 -4.388 1.00 62.23 H new ATOM 0 HE2 TYR A 11 0.907 -11.626 -3.426 1.00 61.24 H new ATOM 0 HH TYR A 11 0.148 -10.292 -4.983 1.00 30.25 H new ATOM 172 N TYR A 12 2.754 -8.646 1.150 1.00 23.24 N ATOM 173 CA TYR A 12 1.583 -8.586 2.001 1.00 25.45 C ATOM 174 C TYR A 12 0.345 -8.542 1.143 1.00 41.03 C ATOM 175 O TYR A 12 0.238 -7.707 0.241 1.00 40.41 O ATOM 176 CB TYR A 12 1.665 -7.326 2.869 1.00 44.24 C ATOM 177 CG TYR A 12 0.603 -7.154 3.946 1.00 45.34 C ATOM 178 CD1 TYR A 12 0.670 -7.861 5.135 1.00 15.34 C ATOM 179 CD2 TYR A 12 -0.429 -6.236 3.792 1.00 21.02 C ATOM 180 CE1 TYR A 12 -0.257 -7.664 6.141 1.00 1.23 C ATOM 181 CE2 TYR A 12 -1.364 -6.040 4.788 1.00 71.22 C ATOM 182 CZ TYR A 12 -1.276 -6.753 5.962 1.00 5.44 C ATOM 183 OH TYR A 12 -2.206 -6.540 6.982 1.00 73.51 O ATOM 0 H TYR A 12 2.925 -7.788 0.626 1.00 23.24 H new ATOM 0 HA TYR A 12 1.539 -9.466 2.642 1.00 25.45 H new ATOM 0 HB2 TYR A 12 2.642 -7.311 3.352 1.00 44.24 H new ATOM 0 HB3 TYR A 12 1.622 -6.458 2.210 1.00 44.24 H new ATOM 0 HD1 TYR A 12 1.462 -8.581 5.279 1.00 15.34 H new ATOM 0 HD2 TYR A 12 -0.501 -5.666 2.877 1.00 21.02 H new ATOM 0 HE1 TYR A 12 -0.183 -8.221 7.063 1.00 1.23 H new ATOM 0 HE2 TYR A 12 -2.164 -5.328 4.646 1.00 71.22 H new ATOM 0 HH TYR A 12 -2.857 -5.866 6.695 1.00 73.51 H new ATOM 193 N ILE A 13 -0.559 -9.430 1.408 1.00 2.32 N ATOM 194 CA ILE A 13 -1.802 -9.511 0.696 1.00 23.21 C ATOM 195 C ILE A 13 -2.908 -9.304 1.704 1.00 13.22 C ATOM 196 O ILE A 13 -2.872 -9.915 2.781 1.00 61.13 O ATOM 197 CB ILE A 13 -1.986 -10.922 0.065 1.00 13.31 C ATOM 198 CG1 ILE A 13 -0.759 -11.303 -0.772 1.00 15.24 C ATOM 199 CG2 ILE A 13 -3.251 -10.963 -0.795 1.00 73.13 C ATOM 200 CD1 ILE A 13 -0.785 -12.721 -1.304 1.00 32.25 C ATOM 0 H ILE A 13 -0.456 -10.134 2.139 1.00 2.32 H new ATOM 0 HA ILE A 13 -1.819 -8.764 -0.098 1.00 23.21 H new ATOM 0 HB ILE A 13 -2.091 -11.647 0.872 1.00 13.31 H new ATOM 0 HG12 ILE A 13 -0.678 -10.613 -1.612 1.00 15.24 H new ATOM 0 HG13 ILE A 13 0.136 -11.171 -0.164 1.00 15.24 H new ATOM 0 HG21 ILE A 13 -3.364 -11.957 -1.228 1.00 73.13 H new ATOM 0 HG22 ILE A 13 -4.119 -10.736 -0.176 1.00 73.13 H new ATOM 0 HG23 ILE A 13 -3.172 -10.226 -1.594 1.00 73.13 H new ATOM 0 HD11 ILE A 13 0.118 -12.908 -1.884 1.00 32.25 H new ATOM 0 HD12 ILE A 13 -0.833 -13.422 -0.470 1.00 32.25 H new ATOM 0 HD13 ILE A 13 -1.660 -12.855 -1.941 1.00 32.25 H new ATOM 212 N THR A 14 -3.847 -8.429 1.411 1.00 4.23 N ATOM 213 CA THR A 14 -4.965 -8.252 2.287 1.00 32.13 C ATOM 214 C THR A 14 -6.121 -7.571 1.544 1.00 11.31 C ATOM 215 O THR A 14 -5.919 -6.988 0.465 1.00 25.44 O ATOM 216 CB THR A 14 -4.566 -7.461 3.567 1.00 22.53 C ATOM 217 OG1 THR A 14 -5.494 -7.752 4.610 1.00 33.10 O ATOM 218 CG2 THR A 14 -4.543 -5.950 3.320 1.00 0.13 C ATOM 0 H THR A 14 -3.851 -7.839 0.579 1.00 4.23 H new ATOM 0 HA THR A 14 -5.302 -9.236 2.613 1.00 32.13 H new ATOM 0 HB THR A 14 -3.560 -7.771 3.851 1.00 22.53 H new ATOM 0 HG1 THR A 14 -5.244 -7.257 5.418 1.00 33.10 H new ATOM 0 HG21 THR A 14 -4.260 -5.435 4.238 1.00 0.13 H new ATOM 0 HG22 THR A 14 -3.820 -5.720 2.538 1.00 0.13 H new ATOM 0 HG23 THR A 14 -5.533 -5.617 3.008 1.00 0.13 H new ATOM 226 N THR A 15 -7.312 -7.649 2.092 1.00 5.03 N ATOM 227 CA THR A 15 -8.458 -7.055 1.478 1.00 51.13 C ATOM 228 C THR A 15 -9.010 -6.002 2.419 1.00 55.11 C ATOM 229 O THR A 15 -9.163 -6.251 3.607 1.00 2.04 O ATOM 230 CB THR A 15 -9.543 -8.120 1.224 1.00 72.42 C ATOM 231 OG1 THR A 15 -8.916 -9.320 0.731 1.00 10.32 O ATOM 232 CG2 THR A 15 -10.544 -7.628 0.185 1.00 72.41 C ATOM 0 H THR A 15 -7.504 -8.126 2.973 1.00 5.03 H new ATOM 0 HA THR A 15 -8.171 -6.611 0.525 1.00 51.13 H new ATOM 0 HB THR A 15 -10.068 -8.317 2.159 1.00 72.42 H new ATOM 0 HG1 THR A 15 -9.311 -10.101 1.173 1.00 10.32 H new ATOM 0 HG21 THR A 15 -11.302 -8.393 0.019 1.00 72.41 H new ATOM 0 HG22 THR A 15 -11.021 -6.716 0.543 1.00 72.41 H new ATOM 0 HG23 THR A 15 -10.025 -7.422 -0.751 1.00 72.41 H new ATOM 240 N LEU A 16 -9.270 -4.844 1.918 1.00 3.50 N ATOM 241 CA LEU A 16 -9.821 -3.803 2.720 1.00 2.55 C ATOM 242 C LEU A 16 -11.141 -3.438 2.097 1.00 70.13 C ATOM 243 O LEU A 16 -11.185 -3.094 0.914 1.00 72.23 O ATOM 244 CB LEU A 16 -8.890 -2.596 2.713 1.00 35.33 C ATOM 245 CG LEU A 16 -9.102 -1.575 3.827 1.00 53.22 C ATOM 246 CD1 LEU A 16 -8.835 -2.201 5.192 1.00 60.01 C ATOM 247 CD2 LEU A 16 -8.218 -0.357 3.608 1.00 73.21 C ATOM 0 H LEU A 16 -9.108 -4.591 0.943 1.00 3.50 H new ATOM 0 HA LEU A 16 -9.948 -4.123 3.754 1.00 2.55 H new ATOM 0 HB2 LEU A 16 -7.863 -2.956 2.769 1.00 35.33 H new ATOM 0 HB3 LEU A 16 -8.998 -2.086 1.756 1.00 35.33 H new ATOM 0 HG LEU A 16 -10.142 -1.251 3.803 1.00 53.22 H new ATOM 0 HD11 LEU A 16 -8.992 -1.455 5.971 1.00 60.01 H new ATOM 0 HD12 LEU A 16 -9.516 -3.038 5.348 1.00 60.01 H new ATOM 0 HD13 LEU A 16 -7.806 -2.558 5.234 1.00 60.01 H new ATOM 0 HD21 LEU A 16 -8.382 0.361 4.412 1.00 73.21 H new ATOM 0 HD22 LEU A 16 -7.172 -0.663 3.603 1.00 73.21 H new ATOM 0 HD23 LEU A 16 -8.466 0.105 2.652 1.00 73.21 H new ATOM 259 N ASN A 17 -12.214 -3.522 2.841 1.00 44.42 N ATOM 260 CA ASN A 17 -13.511 -3.254 2.247 1.00 5.01 C ATOM 261 C ASN A 17 -13.829 -1.772 2.266 1.00 14.20 C ATOM 262 O ASN A 17 -14.565 -1.287 3.127 1.00 41.54 O ATOM 263 CB ASN A 17 -14.652 -4.076 2.883 1.00 44.45 C ATOM 264 CG ASN A 17 -15.956 -4.006 2.069 1.00 12.13 C ATOM 265 OD1 ASN A 17 -16.203 -4.842 1.201 1.00 22.10 O ATOM 266 ND2 ASN A 17 -16.778 -3.019 2.331 1.00 60.23 N ATOM 0 H ASN A 17 -12.225 -3.766 3.831 1.00 44.42 H new ATOM 0 HA ASN A 17 -13.442 -3.578 1.209 1.00 5.01 H new ATOM 0 HB2 ASN A 17 -14.339 -5.116 2.972 1.00 44.45 H new ATOM 0 HB3 ASN A 17 -14.838 -3.711 3.893 1.00 44.45 H new ATOM 0 HD21 ASN A 17 -17.650 -2.929 1.809 1.00 60.23 H new ATOM 0 HD22 ASN A 17 -16.546 -2.341 3.057 1.00 60.23 H new ATOM 273 N TYR A 18 -13.168 -1.059 1.392 1.00 0.50 N ATOM 274 CA TYR A 18 -13.425 0.339 1.150 1.00 53.41 C ATOM 275 C TYR A 18 -13.320 0.587 -0.331 1.00 61.22 C ATOM 276 O TYR A 18 -12.685 -0.202 -1.052 1.00 13.34 O ATOM 277 CB TYR A 18 -12.467 1.282 1.902 1.00 41.02 C ATOM 278 CG TYR A 18 -12.622 1.311 3.408 1.00 0.45 C ATOM 279 CD1 TYR A 18 -13.798 1.762 4.001 1.00 64.33 C ATOM 280 CD2 TYR A 18 -11.586 0.923 4.234 1.00 54.22 C ATOM 281 CE1 TYR A 18 -13.926 1.815 5.376 1.00 73.03 C ATOM 282 CE2 TYR A 18 -11.705 0.967 5.604 1.00 11.43 C ATOM 283 CZ TYR A 18 -12.875 1.414 6.171 1.00 41.23 C ATOM 284 OH TYR A 18 -12.989 1.467 7.539 1.00 14.32 O ATOM 0 H TYR A 18 -12.419 -1.442 0.815 1.00 0.50 H new ATOM 0 HA TYR A 18 -14.424 0.560 1.526 1.00 53.41 H new ATOM 0 HB2 TYR A 18 -11.443 0.993 1.666 1.00 41.02 H new ATOM 0 HB3 TYR A 18 -12.609 2.293 1.521 1.00 41.02 H new ATOM 0 HD1 TYR A 18 -14.622 2.075 3.377 1.00 64.33 H new ATOM 0 HD2 TYR A 18 -10.662 0.577 3.795 1.00 54.22 H new ATOM 0 HE1 TYR A 18 -14.843 2.168 5.824 1.00 73.03 H new ATOM 0 HE2 TYR A 18 -10.884 0.652 6.231 1.00 11.43 H new ATOM 0 HH TYR A 18 -12.158 1.148 7.949 1.00 14.32 H new ATOM 294 N ASN A 19 -13.906 1.673 -0.775 1.00 64.32 N ATOM 295 CA ASN A 19 -13.962 2.009 -2.192 1.00 5.44 C ATOM 296 C ASN A 19 -12.569 2.335 -2.725 1.00 55.21 C ATOM 297 O ASN A 19 -11.800 3.053 -2.074 1.00 23.01 O ATOM 298 CB ASN A 19 -14.910 3.194 -2.432 1.00 40.23 C ATOM 299 CG ASN A 19 -15.029 3.566 -3.906 1.00 61.42 C ATOM 300 OD1 ASN A 19 -14.229 4.334 -4.423 1.00 71.34 O ATOM 301 ND2 ASN A 19 -16.028 3.051 -4.580 1.00 74.54 N ATOM 0 H ASN A 19 -14.361 2.355 -0.169 1.00 64.32 H new ATOM 0 HA ASN A 19 -14.346 1.142 -2.729 1.00 5.44 H new ATOM 0 HB2 ASN A 19 -15.898 2.948 -2.043 1.00 40.23 H new ATOM 0 HB3 ASN A 19 -14.553 4.058 -1.871 1.00 40.23 H new ATOM 0 HD21 ASN A 19 -16.155 3.288 -5.564 1.00 74.54 H new ATOM 0 HD22 ASN A 19 -16.678 2.413 -4.121 1.00 74.54 H new ATOM 308 N PHE A 20 -12.263 1.802 -3.901 1.00 3.14 N ATOM 309 CA PHE A 20 -10.965 1.959 -4.554 1.00 13.13 C ATOM 310 C PHE A 20 -10.477 3.432 -4.649 1.00 33.25 C ATOM 311 O PHE A 20 -9.281 3.694 -4.563 1.00 33.02 O ATOM 312 CB PHE A 20 -11.002 1.271 -5.924 1.00 2.12 C ATOM 313 CG PHE A 20 -9.764 1.427 -6.769 1.00 34.11 C ATOM 314 CD1 PHE A 20 -8.618 0.711 -6.479 1.00 3.23 C ATOM 315 CD2 PHE A 20 -9.764 2.273 -7.869 1.00 32.44 C ATOM 316 CE1 PHE A 20 -7.493 0.836 -7.266 1.00 34.32 C ATOM 317 CE2 PHE A 20 -8.641 2.403 -8.655 1.00 1.12 C ATOM 318 CZ PHE A 20 -7.507 1.684 -8.354 1.00 25.30 C ATOM 0 H PHE A 20 -12.920 1.238 -4.439 1.00 3.14 H new ATOM 0 HA PHE A 20 -10.221 1.472 -3.923 1.00 13.13 H new ATOM 0 HB2 PHE A 20 -11.183 0.207 -5.771 1.00 2.12 H new ATOM 0 HB3 PHE A 20 -11.852 1.662 -6.483 1.00 2.12 H new ATOM 0 HD1 PHE A 20 -8.604 0.047 -5.627 1.00 3.23 H new ATOM 0 HD2 PHE A 20 -10.654 2.835 -8.111 1.00 32.44 H new ATOM 0 HE1 PHE A 20 -6.603 0.271 -7.031 1.00 34.32 H new ATOM 0 HE2 PHE A 20 -8.650 3.068 -9.506 1.00 1.12 H new ATOM 0 HZ PHE A 20 -6.626 1.784 -8.971 1.00 25.30 H new ATOM 328 N ASN A 21 -11.391 4.377 -4.784 1.00 20.24 N ATOM 329 CA ASN A 21 -11.004 5.787 -4.878 1.00 4.43 C ATOM 330 C ASN A 21 -10.400 6.287 -3.557 1.00 63.21 C ATOM 331 O ASN A 21 -9.307 6.868 -3.548 1.00 63.23 O ATOM 332 CB ASN A 21 -12.200 6.668 -5.285 1.00 34.12 C ATOM 333 CG ASN A 21 -11.881 8.172 -5.387 1.00 60.04 C ATOM 334 OD1 ASN A 21 -12.731 9.002 -5.125 1.00 30.14 O ATOM 335 ND2 ASN A 21 -10.674 8.526 -5.789 1.00 1.21 N ATOM 0 H ASN A 21 -12.395 4.205 -4.831 1.00 20.24 H new ATOM 0 HA ASN A 21 -10.242 5.863 -5.654 1.00 4.43 H new ATOM 0 HB2 ASN A 21 -12.578 6.324 -6.248 1.00 34.12 H new ATOM 0 HB3 ASN A 21 -13.002 6.528 -4.560 1.00 34.12 H new ATOM 0 HD21 ASN A 21 -10.438 9.514 -5.886 1.00 1.21 H new ATOM 0 HD22 ASN A 21 -9.978 7.812 -6.003 1.00 1.21 H new ATOM 342 N THR A 22 -11.076 6.013 -2.450 1.00 1.03 N ATOM 343 CA THR A 22 -10.617 6.497 -1.164 1.00 11.25 C ATOM 344 C THR A 22 -9.327 5.776 -0.714 1.00 33.53 C ATOM 345 O THR A 22 -8.404 6.415 -0.182 1.00 14.34 O ATOM 346 CB THR A 22 -11.744 6.477 -0.057 1.00 4.22 C ATOM 347 OG1 THR A 22 -11.280 7.084 1.154 1.00 55.32 O ATOM 348 CG2 THR A 22 -12.229 5.068 0.252 1.00 2.43 C ATOM 0 H THR A 22 -11.935 5.464 -2.420 1.00 1.03 H new ATOM 0 HA THR A 22 -10.365 7.549 -1.299 1.00 11.25 H new ATOM 0 HB THR A 22 -12.580 7.046 -0.462 1.00 4.22 H new ATOM 0 HG1 THR A 22 -11.994 7.062 1.825 1.00 55.32 H new ATOM 0 HG21 THR A 22 -13.003 5.109 1.019 1.00 2.43 H new ATOM 0 HG22 THR A 22 -12.638 4.617 -0.652 1.00 2.43 H new ATOM 0 HG23 THR A 22 -11.394 4.466 0.611 1.00 2.43 H new ATOM 356 N VAL A 23 -9.225 4.467 -0.996 1.00 21.50 N ATOM 357 CA VAL A 23 -8.054 3.711 -0.618 1.00 72.24 C ATOM 358 C VAL A 23 -6.839 4.162 -1.426 1.00 44.33 C ATOM 359 O VAL A 23 -5.732 4.209 -0.900 1.00 51.41 O ATOM 360 CB VAL A 23 -8.255 2.179 -0.757 1.00 12.41 C ATOM 361 CG1 VAL A 23 -9.422 1.683 0.068 1.00 24.32 C ATOM 362 CG2 VAL A 23 -8.414 1.764 -2.187 1.00 23.32 C ATOM 0 H VAL A 23 -9.942 3.927 -1.481 1.00 21.50 H new ATOM 0 HA VAL A 23 -7.880 3.914 0.439 1.00 72.24 H new ATOM 0 HB VAL A 23 -7.348 1.715 -0.369 1.00 12.41 H new ATOM 0 HG11 VAL A 23 -9.526 0.605 -0.059 1.00 24.32 H new ATOM 0 HG12 VAL A 23 -9.246 1.909 1.120 1.00 24.32 H new ATOM 0 HG13 VAL A 23 -10.336 2.177 -0.261 1.00 24.32 H new ATOM 0 HG21 VAL A 23 -8.552 0.684 -2.239 1.00 23.32 H new ATOM 0 HG22 VAL A 23 -9.283 2.262 -2.616 1.00 23.32 H new ATOM 0 HG23 VAL A 23 -7.522 2.043 -2.748 1.00 23.32 H new ATOM 372 N TYR A 24 -7.064 4.521 -2.699 1.00 41.53 N ATOM 373 CA TYR A 24 -6.005 5.017 -3.555 1.00 24.43 C ATOM 374 C TYR A 24 -5.430 6.280 -2.966 1.00 44.24 C ATOM 375 O TYR A 24 -4.223 6.412 -2.837 1.00 30.15 O ATOM 376 CB TYR A 24 -6.529 5.275 -4.988 1.00 1.04 C ATOM 377 CG TYR A 24 -5.542 5.987 -5.905 1.00 61.05 C ATOM 378 CD1 TYR A 24 -4.472 5.313 -6.471 1.00 20.12 C ATOM 379 CD2 TYR A 24 -5.682 7.342 -6.187 1.00 53.44 C ATOM 380 CE1 TYR A 24 -3.569 5.961 -7.291 1.00 64.13 C ATOM 381 CE2 TYR A 24 -4.783 7.997 -7.004 1.00 40.51 C ATOM 382 CZ TYR A 24 -3.730 7.302 -7.554 1.00 23.24 C ATOM 383 OH TYR A 24 -2.829 7.955 -8.361 1.00 63.02 O ATOM 0 H TYR A 24 -7.978 4.472 -3.149 1.00 41.53 H new ATOM 0 HA TYR A 24 -5.221 4.262 -3.618 1.00 24.43 H new ATOM 0 HB2 TYR A 24 -6.800 4.320 -5.439 1.00 1.04 H new ATOM 0 HB3 TYR A 24 -7.441 5.869 -4.926 1.00 1.04 H new ATOM 0 HD1 TYR A 24 -4.341 4.260 -6.267 1.00 20.12 H new ATOM 0 HD2 TYR A 24 -6.508 7.891 -5.759 1.00 53.44 H new ATOM 0 HE1 TYR A 24 -2.741 5.418 -7.723 1.00 64.13 H new ATOM 0 HE2 TYR A 24 -4.905 9.050 -7.211 1.00 40.51 H new ATOM 0 HH TYR A 24 -3.088 8.896 -8.446 1.00 63.02 H new ATOM 393 N ASN A 25 -6.315 7.169 -2.557 1.00 62.55 N ATOM 394 CA ASN A 25 -5.927 8.448 -1.980 1.00 55.53 C ATOM 395 C ASN A 25 -5.150 8.241 -0.709 1.00 64.33 C ATOM 396 O ASN A 25 -4.058 8.768 -0.540 1.00 31.14 O ATOM 397 CB ASN A 25 -7.179 9.270 -1.669 1.00 33.51 C ATOM 398 CG ASN A 25 -6.873 10.646 -1.076 1.00 2.44 C ATOM 399 OD1 ASN A 25 -6.641 11.602 -1.791 1.00 64.44 O ATOM 400 ND2 ASN A 25 -6.923 10.761 0.237 1.00 50.21 N ATOM 0 H ASN A 25 -7.324 7.028 -2.614 1.00 62.55 H new ATOM 0 HA ASN A 25 -5.300 8.976 -2.699 1.00 55.53 H new ATOM 0 HB2 ASN A 25 -7.757 9.398 -2.584 1.00 33.51 H new ATOM 0 HB3 ASN A 25 -7.805 8.714 -0.972 1.00 33.51 H new ATOM 0 HD21 ASN A 25 -6.765 11.668 0.676 1.00 50.21 H new ATOM 0 HD22 ASN A 25 -7.120 9.943 0.813 1.00 50.21 H new ATOM 407 N ALA A 26 -5.702 7.428 0.153 1.00 54.35 N ATOM 408 CA ALA A 26 -5.120 7.168 1.458 1.00 31.42 C ATOM 409 C ALA A 26 -3.750 6.491 1.375 1.00 72.24 C ATOM 410 O ALA A 26 -2.808 6.931 2.020 1.00 34.01 O ATOM 411 CB ALA A 26 -6.078 6.359 2.306 1.00 3.53 C ATOM 0 H ALA A 26 -6.570 6.923 -0.024 1.00 54.35 H new ATOM 0 HA ALA A 26 -4.952 8.134 1.934 1.00 31.42 H new ATOM 0 HB1 ALA A 26 -5.630 6.171 3.282 1.00 3.53 H new ATOM 0 HB2 ALA A 26 -7.008 6.914 2.434 1.00 3.53 H new ATOM 0 HB3 ALA A 26 -6.287 5.409 1.813 1.00 3.53 H new ATOM 417 N THR A 27 -3.647 5.465 0.561 1.00 42.40 N ATOM 418 CA THR A 27 -2.401 4.745 0.370 1.00 1.10 C ATOM 419 C THR A 27 -1.346 5.645 -0.271 1.00 51.42 C ATOM 420 O THR A 27 -0.192 5.680 0.172 1.00 71.14 O ATOM 421 CB THR A 27 -2.631 3.508 -0.521 1.00 40.51 C ATOM 422 OG1 THR A 27 -3.685 2.717 0.035 1.00 53.04 O ATOM 423 CG2 THR A 27 -1.368 2.665 -0.631 1.00 4.24 C ATOM 0 H THR A 27 -4.425 5.103 0.010 1.00 42.40 H new ATOM 0 HA THR A 27 -2.043 4.425 1.349 1.00 1.10 H new ATOM 0 HB THR A 27 -2.901 3.848 -1.521 1.00 40.51 H new ATOM 0 HG1 THR A 27 -4.549 3.130 -0.174 1.00 53.04 H new ATOM 0 HG21 THR A 27 -1.562 1.800 -1.265 1.00 4.24 H new ATOM 0 HG22 THR A 27 -0.568 3.263 -1.067 1.00 4.24 H new ATOM 0 HG23 THR A 27 -1.068 2.327 0.361 1.00 4.24 H new ATOM 431 N LEU A 28 -1.761 6.398 -1.287 1.00 34.25 N ATOM 432 CA LEU A 28 -0.868 7.276 -2.005 1.00 14.34 C ATOM 433 C LEU A 28 -0.312 8.336 -1.065 1.00 32.13 C ATOM 434 O LEU A 28 0.881 8.482 -0.953 1.00 42.45 O ATOM 435 CB LEU A 28 -1.611 7.925 -3.181 1.00 2.23 C ATOM 436 CG LEU A 28 -0.836 8.917 -4.046 1.00 73.32 C ATOM 437 CD1 LEU A 28 0.283 8.228 -4.799 1.00 24.42 C ATOM 438 CD2 LEU A 28 -1.774 9.628 -5.007 1.00 40.32 C ATOM 0 H LEU A 28 -2.723 6.410 -1.627 1.00 34.25 H new ATOM 0 HA LEU A 28 -0.033 6.697 -2.400 1.00 14.34 H new ATOM 0 HB2 LEU A 28 -1.976 7.128 -3.829 1.00 2.23 H new ATOM 0 HB3 LEU A 28 -2.486 8.438 -2.783 1.00 2.23 H new ATOM 0 HG LEU A 28 -0.385 9.660 -3.388 1.00 73.32 H new ATOM 0 HD11 LEU A 28 0.817 8.959 -5.406 1.00 24.42 H new ATOM 0 HD12 LEU A 28 0.973 7.773 -4.089 1.00 24.42 H new ATOM 0 HD13 LEU A 28 -0.135 7.456 -5.445 1.00 24.42 H new ATOM 0 HD21 LEU A 28 -1.206 10.331 -5.616 1.00 40.32 H new ATOM 0 HD22 LEU A 28 -2.256 8.895 -5.654 1.00 40.32 H new ATOM 0 HD23 LEU A 28 -2.533 10.168 -4.442 1.00 40.32 H new ATOM 450 N GLN A 29 -1.183 9.013 -0.346 1.00 43.42 N ATOM 451 CA GLN A 29 -0.787 10.039 0.600 1.00 0.51 C ATOM 452 C GLN A 29 0.069 9.512 1.739 1.00 15.10 C ATOM 453 O GLN A 29 0.969 10.208 2.188 1.00 75.15 O ATOM 454 CB GLN A 29 -2.003 10.770 1.133 1.00 15.30 C ATOM 455 CG GLN A 29 -2.725 11.546 0.058 1.00 40.42 C ATOM 456 CD GLN A 29 -1.862 12.645 -0.522 1.00 45.22 C ATOM 457 OE1 GLN A 29 -1.139 12.435 -1.484 1.00 63.42 O ATOM 458 NE2 GLN A 29 -1.913 13.812 0.066 1.00 63.01 N ATOM 0 H GLN A 29 -2.191 8.867 -0.401 1.00 43.42 H new ATOM 0 HA GLN A 29 -0.160 10.740 0.049 1.00 0.51 H new ATOM 0 HB2 GLN A 29 -2.689 10.051 1.581 1.00 15.30 H new ATOM 0 HB3 GLN A 29 -1.695 11.452 1.925 1.00 15.30 H new ATOM 0 HG2 GLN A 29 -3.030 10.866 -0.738 1.00 40.42 H new ATOM 0 HG3 GLN A 29 -3.635 11.980 0.473 1.00 40.42 H new ATOM 0 HE21 GLN A 29 -2.528 13.953 0.867 1.00 63.01 H new ATOM 0 HE22 GLN A 29 -1.338 14.581 -0.277 1.00 63.01 H new ATOM 467 N ALA A 30 -0.178 8.284 2.171 1.00 0.11 N ATOM 468 CA ALA A 30 0.582 7.693 3.270 1.00 63.01 C ATOM 469 C ALA A 30 2.069 7.671 2.946 1.00 20.15 C ATOM 470 O ALA A 30 2.907 8.083 3.760 1.00 2.33 O ATOM 471 CB ALA A 30 0.086 6.285 3.577 1.00 41.33 C ATOM 0 H ALA A 30 -0.897 7.676 1.780 1.00 0.11 H new ATOM 0 HA ALA A 30 0.430 8.311 4.155 1.00 63.01 H new ATOM 0 HB1 ALA A 30 0.667 5.866 4.398 1.00 41.33 H new ATOM 0 HB2 ALA A 30 -0.966 6.323 3.859 1.00 41.33 H new ATOM 0 HB3 ALA A 30 0.202 5.658 2.693 1.00 41.33 H new ATOM 477 N ILE A 31 2.380 7.231 1.756 1.00 70.42 N ATOM 478 CA ILE A 31 3.745 7.142 1.302 1.00 22.34 C ATOM 479 C ILE A 31 4.234 8.477 0.690 1.00 3.23 C ATOM 480 O ILE A 31 5.334 8.924 0.969 1.00 33.14 O ATOM 481 CB ILE A 31 3.937 5.935 0.319 1.00 15.20 C ATOM 482 CG1 ILE A 31 5.358 5.878 -0.265 1.00 61.01 C ATOM 483 CG2 ILE A 31 2.883 5.925 -0.782 1.00 64.44 C ATOM 484 CD1 ILE A 31 5.578 4.709 -1.200 1.00 62.11 C ATOM 0 H ILE A 31 1.691 6.922 1.070 1.00 70.42 H new ATOM 0 HA ILE A 31 4.372 6.951 2.173 1.00 22.34 H new ATOM 0 HB ILE A 31 3.799 5.030 0.911 1.00 15.20 H new ATOM 0 HG12 ILE A 31 5.560 6.805 -0.801 1.00 61.01 H new ATOM 0 HG13 ILE A 31 6.077 5.820 0.553 1.00 61.01 H new ATOM 0 HG21 ILE A 31 3.053 5.073 -1.440 1.00 64.44 H new ATOM 0 HG22 ILE A 31 1.892 5.847 -0.336 1.00 64.44 H new ATOM 0 HG23 ILE A 31 2.950 6.848 -1.358 1.00 64.44 H new ATOM 0 HD11 ILE A 31 6.601 4.731 -1.575 1.00 62.11 H new ATOM 0 HD12 ILE A 31 5.408 3.776 -0.662 1.00 62.11 H new ATOM 0 HD13 ILE A 31 4.883 4.777 -2.037 1.00 62.11 H new ATOM 496 N GLN A 32 3.375 9.124 -0.085 1.00 64.32 N ATOM 497 CA GLN A 32 3.729 10.340 -0.822 1.00 24.51 C ATOM 498 C GLN A 32 3.884 11.563 0.089 1.00 13.10 C ATOM 499 O GLN A 32 4.770 12.379 -0.108 1.00 52.00 O ATOM 500 CB GLN A 32 2.683 10.616 -1.915 1.00 43.12 C ATOM 501 CG GLN A 32 2.982 11.815 -2.777 1.00 61.34 C ATOM 502 CD GLN A 32 1.959 12.061 -3.874 1.00 31.05 C ATOM 503 OE1 GLN A 32 0.708 11.804 -3.602 1.00 3.35 O flip ATOM 504 NE2 GLN A 32 2.294 12.541 -4.940 1.00 14.32 N flip ATOM 0 H GLN A 32 2.410 8.824 -0.224 1.00 64.32 H new ATOM 0 HA GLN A 32 4.702 10.165 -1.280 1.00 24.51 H new ATOM 0 HB2 GLN A 32 2.602 9.736 -2.554 1.00 43.12 H new ATOM 0 HB3 GLN A 32 1.711 10.757 -1.443 1.00 43.12 H new ATOM 0 HG2 GLN A 32 3.039 12.700 -2.143 1.00 61.34 H new ATOM 0 HG3 GLN A 32 3.964 11.686 -3.233 1.00 61.34 H new ATOM 0 HE21 GLN A 32 3.278 12.732 -5.126 1.00 14.32 H new ATOM 0 HE22 GLN A 32 1.590 12.753 -5.648 1.00 14.32 H new ATOM 513 N ASN A 33 3.038 11.678 1.088 1.00 52.35 N ATOM 514 CA ASN A 33 3.076 12.847 1.967 1.00 54.44 C ATOM 515 C ASN A 33 3.943 12.552 3.189 1.00 44.14 C ATOM 516 O ASN A 33 4.184 13.417 4.017 1.00 25.23 O ATOM 517 CB ASN A 33 1.631 13.246 2.373 1.00 3.30 C ATOM 518 CG ASN A 33 1.506 14.529 3.208 1.00 3.23 C ATOM 519 OD1 ASN A 33 0.600 14.653 4.024 1.00 43.33 O ATOM 520 ND2 ASN A 33 2.373 15.492 2.991 1.00 43.05 N ATOM 0 H ASN A 33 2.320 10.991 1.318 1.00 52.35 H new ATOM 0 HA ASN A 33 3.522 13.690 1.439 1.00 54.44 H new ATOM 0 HB2 ASN A 33 1.038 13.365 1.466 1.00 3.30 H new ATOM 0 HB3 ASN A 33 1.191 12.423 2.936 1.00 3.30 H new ATOM 0 HD21 ASN A 33 2.301 16.369 3.507 1.00 43.05 H new ATOM 0 HD22 ASN A 33 3.118 15.363 2.306 1.00 43.05 H new ATOM 527 N GLY A 34 4.466 11.336 3.239 1.00 4.33 N ATOM 528 CA GLY A 34 5.315 10.933 4.333 1.00 3.42 C ATOM 529 C GLY A 34 4.578 10.896 5.651 1.00 3.05 C ATOM 530 O GLY A 34 5.027 11.469 6.639 1.00 41.21 O ATOM 0 H GLY A 34 4.313 10.617 2.532 1.00 4.33 H new ATOM 0 HA2 GLY A 34 5.729 9.947 4.124 1.00 3.42 H new ATOM 0 HA3 GLY A 34 6.156 11.622 4.409 1.00 3.42 H new ATOM 534 N GLN A 35 3.458 10.184 5.681 1.00 61.23 N ATOM 535 CA GLN A 35 2.645 10.084 6.892 1.00 31.44 C ATOM 536 C GLN A 35 3.247 9.068 7.867 1.00 5.03 C ATOM 537 O GLN A 35 2.710 8.813 8.942 1.00 65.42 O ATOM 538 CB GLN A 35 1.183 9.727 6.569 1.00 44.34 C ATOM 539 CG GLN A 35 0.472 10.754 5.690 1.00 12.23 C ATOM 540 CD GLN A 35 -1.018 10.469 5.531 1.00 53.53 C ATOM 541 OE1 GLN A 35 -1.446 9.773 4.623 1.00 44.33 O ATOM 542 NE2 GLN A 35 -1.817 11.014 6.413 1.00 30.45 N ATOM 0 H GLN A 35 3.090 9.667 4.882 1.00 61.23 H new ATOM 0 HA GLN A 35 2.646 11.065 7.368 1.00 31.44 H new ATOM 0 HB2 GLN A 35 1.158 8.758 6.070 1.00 44.34 H new ATOM 0 HB3 GLN A 35 0.631 9.619 7.503 1.00 44.34 H new ATOM 0 HG2 GLN A 35 0.603 11.747 6.121 1.00 12.23 H new ATOM 0 HG3 GLN A 35 0.941 10.769 4.706 1.00 12.23 H new ATOM 0 HE21 GLN A 35 -1.433 11.591 7.161 1.00 30.45 H new ATOM 0 HE22 GLN A 35 -2.824 10.862 6.352 1.00 30.45 H new ATOM 551 N THR A 36 4.351 8.493 7.472 1.00 51.13 N ATOM 552 CA THR A 36 5.059 7.555 8.265 1.00 51.13 C ATOM 553 C THR A 36 6.552 7.689 7.954 1.00 5.22 C ATOM 554 O THR A 36 6.942 7.842 6.790 1.00 64.44 O ATOM 555 CB THR A 36 4.546 6.089 8.013 1.00 32.34 C ATOM 556 OG1 THR A 36 5.241 5.143 8.847 1.00 5.41 O ATOM 557 CG2 THR A 36 4.673 5.671 6.543 1.00 14.04 C ATOM 0 H THR A 36 4.784 8.676 6.567 1.00 51.13 H new ATOM 0 HA THR A 36 4.888 7.764 9.321 1.00 51.13 H new ATOM 0 HB THR A 36 3.488 6.086 8.273 1.00 32.34 H new ATOM 0 HG1 THR A 36 4.901 4.241 8.671 1.00 5.41 H new ATOM 0 HG21 THR A 36 4.306 4.652 6.422 1.00 14.04 H new ATOM 0 HG22 THR A 36 4.084 6.345 5.921 1.00 14.04 H new ATOM 0 HG23 THR A 36 5.719 5.718 6.240 1.00 14.04 H new ATOM 565 N PHE A 37 7.373 7.693 8.980 1.00 32.44 N ATOM 566 CA PHE A 37 8.804 7.768 8.791 1.00 61.11 C ATOM 567 C PHE A 37 9.352 6.378 8.780 1.00 74.01 C ATOM 568 O PHE A 37 8.688 5.429 9.232 1.00 65.21 O ATOM 569 CB PHE A 37 9.515 8.607 9.867 1.00 44.12 C ATOM 570 CG PHE A 37 9.024 10.028 9.962 1.00 35.23 C ATOM 571 CD1 PHE A 37 9.490 10.998 9.090 1.00 71.25 C ATOM 572 CD2 PHE A 37 8.093 10.391 10.925 1.00 53.14 C ATOM 573 CE1 PHE A 37 9.040 12.302 9.174 1.00 64.11 C ATOM 574 CE2 PHE A 37 7.639 11.692 11.014 1.00 41.41 C ATOM 575 CZ PHE A 37 8.113 12.649 10.139 1.00 44.34 C ATOM 0 H PHE A 37 7.074 7.645 9.954 1.00 32.44 H new ATOM 0 HA PHE A 37 8.990 8.272 7.842 1.00 61.11 H new ATOM 0 HB2 PHE A 37 9.384 8.123 10.835 1.00 44.12 H new ATOM 0 HB3 PHE A 37 10.585 8.617 9.657 1.00 44.12 H new ATOM 0 HD1 PHE A 37 10.214 10.732 8.335 1.00 71.25 H new ATOM 0 HD2 PHE A 37 7.719 9.647 11.613 1.00 53.14 H new ATOM 0 HE1 PHE A 37 9.412 13.048 8.487 1.00 64.11 H new ATOM 0 HE2 PHE A 37 6.914 11.961 11.768 1.00 41.41 H new ATOM 0 HZ PHE A 37 7.760 13.667 10.208 1.00 44.34 H new ATOM 585 N ASP A 38 10.503 6.234 8.240 1.00 70.34 N ATOM 586 CA ASP A 38 11.115 4.951 8.132 1.00 64.21 C ATOM 587 C ASP A 38 12.190 4.755 9.201 1.00 71.31 C ATOM 588 O ASP A 38 12.780 5.721 9.668 1.00 43.42 O ATOM 589 CB ASP A 38 11.673 4.762 6.740 1.00 32.42 C ATOM 590 CG ASP A 38 12.404 3.485 6.633 1.00 24.22 C ATOM 591 OD1 ASP A 38 11.778 2.437 6.766 1.00 75.24 O ATOM 592 OD2 ASP A 38 13.606 3.525 6.475 1.00 3.51 O ATOM 0 H ASP A 38 11.055 7.001 7.857 1.00 70.34 H new ATOM 0 HA ASP A 38 10.356 4.188 8.304 1.00 64.21 H new ATOM 0 HB2 ASP A 38 10.861 4.783 6.013 1.00 32.42 H new ATOM 0 HB3 ASP A 38 12.340 5.589 6.496 1.00 32.42 H new ATOM 597 N TYR A 39 12.442 3.500 9.550 1.00 41.31 N ATOM 598 CA TYR A 39 13.400 3.120 10.587 1.00 60.32 C ATOM 599 C TYR A 39 14.855 3.413 10.174 1.00 61.31 C ATOM 600 O TYR A 39 15.705 3.650 11.023 1.00 52.45 O ATOM 601 CB TYR A 39 13.216 1.615 10.946 1.00 54.13 C ATOM 602 CG TYR A 39 13.220 0.692 9.730 1.00 24.13 C ATOM 603 CD1 TYR A 39 14.402 0.172 9.221 1.00 32.33 C ATOM 604 CD2 TYR A 39 12.038 0.384 9.071 1.00 30.44 C ATOM 605 CE1 TYR A 39 14.400 -0.625 8.096 1.00 73.10 C ATOM 606 CE2 TYR A 39 12.033 -0.403 7.938 1.00 62.32 C ATOM 607 CZ TYR A 39 13.213 -0.901 7.456 1.00 31.14 C ATOM 608 OH TYR A 39 13.216 -1.658 6.318 1.00 74.14 O ATOM 0 H TYR A 39 11.980 2.702 9.114 1.00 41.31 H new ATOM 0 HA TYR A 39 13.198 3.729 11.468 1.00 60.32 H new ATOM 0 HB2 TYR A 39 14.013 1.312 11.625 1.00 54.13 H new ATOM 0 HB3 TYR A 39 12.276 1.490 11.483 1.00 54.13 H new ATOM 0 HD1 TYR A 39 15.337 0.395 9.713 1.00 32.33 H new ATOM 0 HD2 TYR A 39 11.104 0.768 9.453 1.00 30.44 H new ATOM 0 HE1 TYR A 39 15.327 -1.031 7.718 1.00 73.10 H new ATOM 0 HE2 TYR A 39 11.104 -0.625 7.435 1.00 62.32 H new ATOM 0 HH TYR A 39 12.908 -1.115 5.563 1.00 74.14 H new ATOM 618 N LYS A 40 15.135 3.389 8.878 1.00 13.22 N ATOM 619 CA LYS A 40 16.468 3.713 8.385 1.00 44.11 C ATOM 620 C LYS A 40 16.404 5.007 7.578 1.00 20.50 C ATOM 621 O LYS A 40 17.400 5.451 7.012 1.00 12.34 O ATOM 622 CB LYS A 40 17.048 2.528 7.547 1.00 15.34 C ATOM 623 CG LYS A 40 16.135 2.083 6.417 1.00 51.14 C ATOM 624 CD LYS A 40 16.612 0.844 5.672 1.00 74.53 C ATOM 625 CE LYS A 40 15.539 0.398 4.670 1.00 51.51 C ATOM 626 NZ LYS A 40 15.882 -0.843 3.974 1.00 60.31 N ATOM 0 H LYS A 40 14.461 3.150 8.151 1.00 13.22 H new ATOM 0 HA LYS A 40 17.145 3.866 9.225 1.00 44.11 H new ATOM 0 HB2 LYS A 40 18.011 2.824 7.131 1.00 15.34 H new ATOM 0 HB3 LYS A 40 17.234 1.682 8.209 1.00 15.34 H new ATOM 0 HG2 LYS A 40 15.143 1.888 6.824 1.00 51.14 H new ATOM 0 HG3 LYS A 40 16.032 2.902 5.706 1.00 51.14 H new ATOM 0 HD2 LYS A 40 17.544 1.058 5.150 1.00 74.53 H new ATOM 0 HD3 LYS A 40 16.820 0.041 6.379 1.00 74.53 H new ATOM 0 HE2 LYS A 40 14.594 0.263 5.196 1.00 51.51 H new ATOM 0 HE3 LYS A 40 15.385 1.189 3.936 1.00 51.51 H new ATOM 0 HZ1 LYS A 40 15.180 -1.029 3.230 1.00 60.31 H new ATOM 0 HZ2 LYS A 40 16.825 -0.751 3.545 1.00 60.31 H new ATOM 0 HZ3 LYS A 40 15.885 -1.632 4.652 1.00 60.31 H new ATOM 640 N SER A 41 15.204 5.614 7.583 1.00 61.21 N ATOM 641 CA SER A 41 14.883 6.827 6.845 1.00 13.31 C ATOM 642 C SER A 41 15.236 6.670 5.340 1.00 12.35 C ATOM 643 O SER A 41 15.652 7.621 4.665 1.00 51.45 O ATOM 644 CB SER A 41 15.526 8.063 7.519 1.00 52.50 C ATOM 645 OG SER A 41 15.224 9.264 6.829 1.00 31.50 O ATOM 0 H SER A 41 14.414 5.256 8.120 1.00 61.21 H new ATOM 0 HA SER A 41 13.807 6.996 6.878 1.00 13.31 H new ATOM 0 HB2 SER A 41 15.174 8.138 8.548 1.00 52.50 H new ATOM 0 HB3 SER A 41 16.607 7.931 7.561 1.00 52.50 H new ATOM 0 HG SER A 41 15.255 9.103 5.863 1.00 31.50 H new ATOM 651 N ASN A 42 14.984 5.466 4.839 1.00 12.25 N ATOM 652 CA ASN A 42 15.235 5.069 3.445 1.00 25.52 C ATOM 653 C ASN A 42 14.327 5.821 2.461 1.00 31.55 C ATOM 654 O ASN A 42 13.186 6.170 2.813 1.00 0.11 O ATOM 655 CB ASN A 42 14.987 3.552 3.332 1.00 72.20 C ATOM 656 CG ASN A 42 14.800 3.021 1.913 1.00 51.52 C ATOM 657 OD1 ASN A 42 13.714 3.066 1.382 1.00 44.20 O ATOM 658 ND2 ASN A 42 15.798 2.437 1.337 1.00 32.10 N ATOM 0 H ASN A 42 14.588 4.713 5.402 1.00 12.25 H new ATOM 0 HA ASN A 42 16.263 5.319 3.185 1.00 25.52 H new ATOM 0 HB2 ASN A 42 15.827 3.029 3.789 1.00 72.20 H new ATOM 0 HB3 ASN A 42 14.100 3.302 3.915 1.00 72.20 H new ATOM 0 HD21 ASN A 42 15.677 2.005 0.421 1.00 32.10 H new ATOM 0 HD22 ASN A 42 16.707 2.408 1.798 1.00 32.10 H new ATOM 665 N PRO A 43 14.843 6.137 1.235 1.00 1.04 N ATOM 666 CA PRO A 43 14.031 6.712 0.158 1.00 20.12 C ATOM 667 C PRO A 43 12.926 5.734 -0.291 1.00 33.23 C ATOM 668 O PRO A 43 13.140 4.829 -1.118 1.00 15.34 O ATOM 669 CB PRO A 43 15.032 6.976 -0.978 1.00 23.40 C ATOM 670 CG PRO A 43 16.203 6.108 -0.667 1.00 22.12 C ATOM 671 CD PRO A 43 16.257 5.996 0.829 1.00 4.43 C ATOM 0 HA PRO A 43 13.513 7.618 0.472 1.00 20.12 H new ATOM 0 HB2 PRO A 43 14.603 6.727 -1.949 1.00 23.40 H new ATOM 0 HB3 PRO A 43 15.318 8.027 -1.016 1.00 23.40 H new ATOM 0 HG2 PRO A 43 16.092 5.126 -1.127 1.00 22.12 H new ATOM 0 HG3 PRO A 43 17.123 6.541 -1.058 1.00 22.12 H new ATOM 0 HD2 PRO A 43 16.672 5.039 1.145 1.00 4.43 H new ATOM 0 HD3 PRO A 43 16.881 6.775 1.268 1.00 4.43 H new ATOM 679 N TYR A 44 11.807 5.870 0.370 1.00 55.52 N ATOM 680 CA TYR A 44 10.599 5.107 0.151 1.00 74.52 C ATOM 681 C TYR A 44 9.621 5.817 -0.726 1.00 63.43 C ATOM 682 O TYR A 44 8.550 5.299 -0.998 1.00 21.34 O ATOM 683 CB TYR A 44 9.930 4.610 1.429 1.00 63.02 C ATOM 684 CG TYR A 44 10.556 3.362 2.001 1.00 33.55 C ATOM 685 CD1 TYR A 44 10.546 2.161 1.286 1.00 45.41 C ATOM 686 CD2 TYR A 44 11.140 3.366 3.241 1.00 21.04 C ATOM 687 CE1 TYR A 44 11.112 1.010 1.810 1.00 22.13 C ATOM 688 CE2 TYR A 44 11.696 2.221 3.765 1.00 12.54 C ATOM 689 CZ TYR A 44 11.686 1.056 3.058 1.00 33.53 C ATOM 690 OH TYR A 44 12.228 -0.086 3.632 1.00 71.22 O ATOM 0 H TYR A 44 11.705 6.555 1.119 1.00 55.52 H new ATOM 0 HA TYR A 44 10.938 4.216 -0.377 1.00 74.52 H new ATOM 0 HB2 TYR A 44 9.968 5.400 2.179 1.00 63.02 H new ATOM 0 HB3 TYR A 44 8.877 4.416 1.224 1.00 63.02 H new ATOM 0 HD1 TYR A 44 10.089 2.130 0.308 1.00 45.41 H new ATOM 0 HD2 TYR A 44 11.164 4.280 3.815 1.00 21.04 H new ATOM 0 HE1 TYR A 44 11.102 0.089 1.246 1.00 22.13 H new ATOM 0 HE2 TYR A 44 12.145 2.246 4.747 1.00 12.54 H new ATOM 0 HH TYR A 44 12.476 -0.720 2.927 1.00 71.22 H new ATOM 700 N ASP A 45 9.962 6.991 -1.153 1.00 22.13 N ATOM 701 CA ASP A 45 9.053 7.816 -1.887 1.00 44.43 C ATOM 702 C ASP A 45 8.953 7.330 -3.326 1.00 54.03 C ATOM 703 O ASP A 45 9.873 6.719 -3.886 1.00 53.42 O ATOM 704 CB ASP A 45 9.510 9.277 -1.832 1.00 34.52 C ATOM 705 CG ASP A 45 10.944 9.452 -2.283 1.00 11.13 C ATOM 706 OD1 ASP A 45 11.860 9.087 -1.491 1.00 54.45 O ATOM 707 OD2 ASP A 45 11.164 9.949 -3.397 1.00 31.34 O ATOM 0 H ASP A 45 10.881 7.407 -1.003 1.00 22.13 H new ATOM 0 HA ASP A 45 8.063 7.750 -1.435 1.00 44.43 H new ATOM 0 HB2 ASP A 45 8.858 9.882 -2.462 1.00 34.52 H new ATOM 0 HB3 ASP A 45 9.405 9.649 -0.813 1.00 34.52 H new ATOM 712 N ILE A 46 7.782 7.547 -3.873 1.00 52.33 N ATOM 713 CA ILE A 46 7.346 6.975 -5.134 1.00 14.25 C ATOM 714 C ILE A 46 8.144 7.476 -6.309 1.00 51.14 C ATOM 715 O ILE A 46 8.105 8.651 -6.649 1.00 31.14 O ATOM 716 CB ILE A 46 5.849 7.272 -5.346 1.00 32.14 C ATOM 717 CG1 ILE A 46 5.069 6.716 -4.163 1.00 71.04 C ATOM 718 CG2 ILE A 46 5.347 6.660 -6.657 1.00 72.34 C ATOM 719 CD1 ILE A 46 3.610 7.017 -4.199 1.00 74.23 C ATOM 0 H ILE A 46 7.078 8.147 -3.442 1.00 52.33 H new ATOM 0 HA ILE A 46 7.511 5.899 -5.077 1.00 14.25 H new ATOM 0 HB ILE A 46 5.701 8.350 -5.412 1.00 32.14 H new ATOM 0 HG12 ILE A 46 5.205 5.635 -4.128 1.00 71.04 H new ATOM 0 HG13 ILE A 46 5.490 7.120 -3.242 1.00 71.04 H new ATOM 0 HG21 ILE A 46 4.288 6.885 -6.781 1.00 72.34 H new ATOM 0 HG22 ILE A 46 5.908 7.079 -7.492 1.00 72.34 H new ATOM 0 HG23 ILE A 46 5.488 5.579 -6.632 1.00 72.34 H new ATOM 0 HD11 ILE A 46 3.128 6.586 -3.322 1.00 74.23 H new ATOM 0 HD12 ILE A 46 3.461 8.097 -4.201 1.00 74.23 H new ATOM 0 HD13 ILE A 46 3.172 6.589 -5.101 1.00 74.23 H new ATOM 731 N SER A 47 8.813 6.560 -6.956 1.00 2.32 N ATOM 732 CA SER A 47 9.641 6.889 -8.063 1.00 71.13 C ATOM 733 C SER A 47 8.838 6.729 -9.369 1.00 2.31 C ATOM 734 O SER A 47 9.071 7.441 -10.342 1.00 75.14 O ATOM 735 CB SER A 47 10.817 5.922 -8.051 1.00 24.02 C ATOM 736 OG SER A 47 11.297 5.745 -6.715 1.00 64.45 O ATOM 0 H SER A 47 8.793 5.567 -6.723 1.00 2.32 H new ATOM 0 HA SER A 47 9.993 7.919 -7.999 1.00 71.13 H new ATOM 0 HB2 SER A 47 10.512 4.961 -8.466 1.00 24.02 H new ATOM 0 HB3 SER A 47 11.617 6.303 -8.685 1.00 24.02 H new ATOM 0 HG SER A 47 12.257 5.552 -6.735 1.00 64.45 H new ATOM 742 N VAL A 48 7.865 5.807 -9.372 1.00 44.41 N ATOM 743 CA VAL A 48 6.998 5.613 -10.531 1.00 53.42 C ATOM 744 C VAL A 48 5.573 5.347 -10.044 1.00 14.24 C ATOM 745 O VAL A 48 5.360 4.502 -9.174 1.00 4.13 O ATOM 746 CB VAL A 48 7.445 4.371 -11.390 1.00 50.50 C ATOM 747 CG1 VAL A 48 6.581 4.224 -12.637 1.00 4.34 C ATOM 748 CG2 VAL A 48 8.920 4.430 -11.778 1.00 24.40 C ATOM 0 H VAL A 48 7.663 5.189 -8.586 1.00 44.41 H new ATOM 0 HA VAL A 48 7.057 6.512 -11.145 1.00 53.42 H new ATOM 0 HB VAL A 48 7.306 3.494 -10.758 1.00 50.50 H new ATOM 0 HG11 VAL A 48 6.913 3.358 -13.210 1.00 4.34 H new ATOM 0 HG12 VAL A 48 5.540 4.088 -12.344 1.00 4.34 H new ATOM 0 HG13 VAL A 48 6.671 5.121 -13.250 1.00 4.34 H new ATOM 0 HG21 VAL A 48 9.176 3.551 -12.369 1.00 24.40 H new ATOM 0 HG22 VAL A 48 9.106 5.329 -12.366 1.00 24.40 H new ATOM 0 HG23 VAL A 48 9.533 4.453 -10.877 1.00 24.40 H new ATOM 758 N ASN A 49 4.616 6.045 -10.596 1.00 30.32 N ATOM 759 CA ASN A 49 3.214 5.811 -10.280 1.00 65.10 C ATOM 760 C ASN A 49 2.495 5.356 -11.535 1.00 12.32 C ATOM 761 O ASN A 49 2.748 5.895 -12.607 1.00 51.32 O ATOM 762 CB ASN A 49 2.526 7.060 -9.656 1.00 35.40 C ATOM 763 CG ASN A 49 2.359 8.244 -10.607 1.00 33.14 C ATOM 764 OD1 ASN A 49 1.363 8.358 -11.304 1.00 31.52 O ATOM 765 ND2 ASN A 49 3.314 9.151 -10.609 1.00 35.13 N ATOM 0 H ASN A 49 4.775 6.790 -11.275 1.00 30.32 H new ATOM 0 HA ASN A 49 3.159 5.030 -9.522 1.00 65.10 H new ATOM 0 HB2 ASN A 49 1.543 6.768 -9.286 1.00 35.40 H new ATOM 0 HB3 ASN A 49 3.108 7.385 -8.793 1.00 35.40 H new ATOM 0 HD21 ASN A 49 3.233 9.976 -11.204 1.00 35.13 H new ATOM 0 HD22 ASN A 49 4.135 9.029 -10.016 1.00 35.13 H new ATOM 772 N LYS A 50 1.696 4.310 -11.451 1.00 4.13 N ATOM 773 CA LYS A 50 0.894 3.922 -12.589 1.00 34.10 C ATOM 774 C LYS A 50 -0.520 3.702 -12.143 1.00 1.03 C ATOM 775 O LYS A 50 -0.770 3.197 -11.037 1.00 22.53 O ATOM 776 CB LYS A 50 1.350 2.589 -13.235 1.00 64.21 C ATOM 777 CG LYS A 50 2.833 2.443 -13.553 1.00 30.21 C ATOM 778 CD LYS A 50 3.675 2.109 -12.330 1.00 64.21 C ATOM 779 CE LYS A 50 3.230 0.828 -11.645 1.00 65.03 C ATOM 780 NZ LYS A 50 3.241 -0.379 -12.521 1.00 43.53 N ATOM 0 H LYS A 50 1.587 3.725 -10.623 1.00 4.13 H new ATOM 0 HA LYS A 50 0.997 4.727 -13.317 1.00 34.10 H new ATOM 0 HB2 LYS A 50 1.065 1.775 -12.568 1.00 64.21 H new ATOM 0 HB3 LYS A 50 0.791 2.453 -14.161 1.00 64.21 H new ATOM 0 HG2 LYS A 50 2.963 1.661 -14.301 1.00 30.21 H new ATOM 0 HG3 LYS A 50 3.197 3.370 -13.995 1.00 30.21 H new ATOM 0 HD2 LYS A 50 4.719 2.013 -12.628 1.00 64.21 H new ATOM 0 HD3 LYS A 50 3.620 2.934 -11.620 1.00 64.21 H new ATOM 0 HE2 LYS A 50 3.879 0.645 -10.788 1.00 65.03 H new ATOM 0 HE3 LYS A 50 2.221 0.970 -11.257 1.00 65.03 H new ATOM 0 HZ1 LYS A 50 2.504 -1.042 -12.208 1.00 43.53 H new ATOM 0 HZ2 LYS A 50 3.056 -0.096 -13.505 1.00 43.53 H new ATOM 0 HZ3 LYS A 50 4.170 -0.842 -12.463 1.00 43.53 H new ATOM 794 N ASN A 51 -1.431 4.067 -12.973 1.00 15.11 N ATOM 795 CA ASN A 51 -2.799 3.717 -12.774 1.00 12.45 C ATOM 796 C ASN A 51 -3.159 2.707 -13.820 1.00 23.30 C ATOM 797 O ASN A 51 -2.871 2.910 -14.992 1.00 32.14 O ATOM 798 CB ASN A 51 -3.730 4.927 -12.807 1.00 30.02 C ATOM 799 CG ASN A 51 -5.205 4.561 -12.666 1.00 11.34 C ATOM 800 OD1 ASN A 51 -5.558 3.580 -12.036 1.00 61.03 O ATOM 801 ND2 ASN A 51 -6.070 5.349 -13.255 1.00 42.52 N ATOM 0 H ASN A 51 -1.252 4.618 -13.812 1.00 15.11 H new ATOM 0 HA ASN A 51 -2.926 3.295 -11.777 1.00 12.45 H new ATOM 0 HB2 ASN A 51 -3.454 5.610 -12.004 1.00 30.02 H new ATOM 0 HB3 ASN A 51 -3.584 5.463 -13.745 1.00 30.02 H new ATOM 0 HD21 ASN A 51 -7.068 5.148 -13.193 1.00 42.52 H new ATOM 0 HD22 ASN A 51 -5.745 6.164 -13.776 1.00 42.52 H new ATOM 808 N ASN A 52 -3.774 1.655 -13.415 1.00 11.40 N ATOM 809 CA ASN A 52 -4.095 0.560 -14.321 1.00 4.31 C ATOM 810 C ASN A 52 -5.597 0.545 -14.597 1.00 1.12 C ATOM 811 O ASN A 52 -6.124 -0.366 -15.234 1.00 15.54 O ATOM 812 CB ASN A 52 -3.654 -0.797 -13.730 1.00 63.44 C ATOM 813 CG ASN A 52 -2.156 -0.901 -13.399 1.00 32.40 C ATOM 814 OD1 ASN A 52 -1.307 -0.262 -14.020 1.00 32.11 O ATOM 815 ND2 ASN A 52 -1.824 -1.716 -12.413 1.00 74.54 N ATOM 0 H ASN A 52 -4.078 1.508 -12.452 1.00 11.40 H new ATOM 0 HA ASN A 52 -3.554 0.715 -15.254 1.00 4.31 H new ATOM 0 HB2 ASN A 52 -4.226 -0.985 -12.821 1.00 63.44 H new ATOM 0 HB3 ASN A 52 -3.911 -1.586 -14.437 1.00 63.44 H new ATOM 0 HD21 ASN A 52 -0.845 -1.827 -12.151 1.00 74.54 H new ATOM 0 HD22 ASN A 52 -2.547 -2.234 -11.914 1.00 74.54 H new ATOM 822 N GLY A 53 -6.293 1.529 -14.056 1.00 73.42 N ATOM 823 CA GLY A 53 -7.709 1.680 -14.305 1.00 11.12 C ATOM 824 C GLY A 53 -8.538 0.976 -13.264 1.00 22.40 C ATOM 825 O GLY A 53 -9.275 1.598 -12.513 1.00 43.44 O ATOM 0 H GLY A 53 -5.895 2.237 -13.439 1.00 73.42 H new ATOM 0 HA2 GLY A 53 -7.965 2.739 -14.318 1.00 11.12 H new ATOM 0 HA3 GLY A 53 -7.949 1.282 -15.291 1.00 11.12 H new ATOM 829 N THR A 54 -8.411 -0.318 -13.216 1.00 5.05 N ATOM 830 CA THR A 54 -9.123 -1.108 -12.252 1.00 14.40 C ATOM 831 C THR A 54 -8.186 -1.476 -11.109 1.00 3.42 C ATOM 832 O THR A 54 -8.598 -2.061 -10.095 1.00 14.03 O ATOM 833 CB THR A 54 -9.767 -2.375 -12.900 1.00 64.44 C ATOM 834 OG1 THR A 54 -10.483 -3.141 -11.912 1.00 50.33 O ATOM 835 CG2 THR A 54 -8.715 -3.260 -13.570 1.00 51.23 C ATOM 0 H THR A 54 -7.812 -0.856 -13.843 1.00 5.05 H new ATOM 0 HA THR A 54 -9.948 -0.515 -11.856 1.00 14.40 H new ATOM 0 HB THR A 54 -10.463 -2.030 -13.664 1.00 64.44 H new ATOM 0 HG1 THR A 54 -10.100 -2.971 -11.026 1.00 50.33 H new ATOM 0 HG21 THR A 54 -9.200 -4.132 -14.010 1.00 51.23 H new ATOM 0 HG22 THR A 54 -8.208 -2.694 -14.351 1.00 51.23 H new ATOM 0 HG23 THR A 54 -7.987 -3.586 -12.827 1.00 51.23 H new ATOM 843 N ASP A 55 -6.948 -1.102 -11.282 1.00 23.45 N ATOM 844 CA ASP A 55 -5.902 -1.304 -10.317 1.00 40.34 C ATOM 845 C ASP A 55 -5.072 -0.056 -10.337 1.00 40.23 C ATOM 846 O ASP A 55 -5.177 0.737 -11.265 1.00 44.24 O ATOM 847 CB ASP A 55 -4.953 -2.494 -10.652 1.00 55.40 C ATOM 848 CG ASP A 55 -5.527 -3.889 -10.596 1.00 63.10 C ATOM 849 OD1 ASP A 55 -6.563 -4.197 -11.218 1.00 72.14 O ATOM 850 OD2 ASP A 55 -4.902 -4.741 -9.944 1.00 24.40 O ATOM 0 H ASP A 55 -6.628 -0.632 -12.129 1.00 23.45 H new ATOM 0 HA ASP A 55 -6.366 -1.528 -9.357 1.00 40.34 H new ATOM 0 HB2 ASP A 55 -4.557 -2.335 -11.655 1.00 55.40 H new ATOM 0 HB3 ASP A 55 -4.108 -2.452 -9.965 1.00 55.40 H new ATOM 855 N ALA A 56 -4.282 0.128 -9.351 1.00 10.33 N ATOM 856 CA ALA A 56 -3.352 1.225 -9.288 1.00 63.52 C ATOM 857 C ALA A 56 -2.145 0.734 -8.557 1.00 61.51 C ATOM 858 O ALA A 56 -2.277 -0.059 -7.619 1.00 63.43 O ATOM 859 CB ALA A 56 -3.956 2.436 -8.600 1.00 1.41 C ATOM 0 H ALA A 56 -4.250 -0.486 -8.537 1.00 10.33 H new ATOM 0 HA ALA A 56 -3.088 1.553 -10.293 1.00 63.52 H new ATOM 0 HB1 ALA A 56 -3.223 3.242 -8.573 1.00 1.41 H new ATOM 0 HB2 ALA A 56 -4.837 2.765 -9.151 1.00 1.41 H new ATOM 0 HB3 ALA A 56 -4.242 2.171 -7.582 1.00 1.41 H new ATOM 865 N GLU A 57 -0.989 1.163 -8.965 1.00 51.13 N ATOM 866 CA GLU A 57 0.224 0.639 -8.412 1.00 30.44 C ATOM 867 C GLU A 57 1.281 1.734 -8.335 1.00 71.12 C ATOM 868 O GLU A 57 1.548 2.432 -9.325 1.00 73.24 O ATOM 869 CB GLU A 57 0.711 -0.485 -9.315 1.00 34.31 C ATOM 870 CG GLU A 57 1.929 -1.241 -8.826 1.00 11.12 C ATOM 871 CD GLU A 57 2.615 -1.954 -9.961 1.00 1.41 C ATOM 872 OE1 GLU A 57 1.981 -2.168 -11.018 1.00 62.13 O ATOM 873 OE2 GLU A 57 3.827 -2.154 -9.886 1.00 52.21 O ATOM 0 H GLU A 57 -0.860 1.877 -9.682 1.00 51.13 H new ATOM 0 HA GLU A 57 0.043 0.264 -7.405 1.00 30.44 H new ATOM 0 HB2 GLU A 57 -0.104 -1.196 -9.451 1.00 34.31 H new ATOM 0 HB3 GLU A 57 0.936 -0.066 -10.296 1.00 34.31 H new ATOM 0 HG2 GLU A 57 2.625 -0.548 -8.353 1.00 11.12 H new ATOM 0 HG3 GLU A 57 1.632 -1.963 -8.065 1.00 11.12 H new ATOM 880 N ILE A 58 1.859 1.893 -7.185 1.00 4.13 N ATOM 881 CA ILE A 58 2.900 2.831 -6.977 1.00 51.44 C ATOM 882 C ILE A 58 4.182 2.111 -6.616 1.00 35.51 C ATOM 883 O ILE A 58 4.183 1.218 -5.757 1.00 4.44 O ATOM 884 CB ILE A 58 2.565 3.923 -5.927 1.00 15.02 C ATOM 885 CG1 ILE A 58 1.924 3.383 -4.603 1.00 64.14 C ATOM 886 CG2 ILE A 58 1.727 5.032 -6.547 1.00 64.42 C ATOM 887 CD1 ILE A 58 0.431 3.059 -4.670 1.00 41.54 C ATOM 0 H ILE A 58 1.610 1.360 -6.352 1.00 4.13 H new ATOM 0 HA ILE A 58 3.028 3.363 -7.920 1.00 51.44 H new ATOM 0 HB ILE A 58 3.525 4.336 -5.618 1.00 15.02 H new ATOM 0 HG12 ILE A 58 2.459 2.482 -4.304 1.00 64.14 H new ATOM 0 HG13 ILE A 58 2.081 4.122 -3.818 1.00 64.14 H new ATOM 0 HG21 ILE A 58 1.505 5.786 -5.792 1.00 64.42 H new ATOM 0 HG22 ILE A 58 2.280 5.491 -7.366 1.00 64.42 H new ATOM 0 HG23 ILE A 58 0.795 4.614 -6.928 1.00 64.42 H new ATOM 0 HD11 ILE A 58 0.094 2.694 -3.700 1.00 41.54 H new ATOM 0 HD12 ILE A 58 -0.125 3.959 -4.932 1.00 41.54 H new ATOM 0 HD13 ILE A 58 0.259 2.293 -5.426 1.00 41.54 H new ATOM 899 N VAL A 59 5.254 2.470 -7.294 1.00 2.01 N ATOM 900 CA VAL A 59 6.531 1.817 -7.123 1.00 23.44 C ATOM 901 C VAL A 59 7.583 2.819 -6.668 1.00 14.22 C ATOM 902 O VAL A 59 7.706 3.920 -7.229 1.00 0.50 O ATOM 903 CB VAL A 59 7.015 1.163 -8.457 1.00 22.30 C ATOM 904 CG1 VAL A 59 8.323 0.399 -8.267 1.00 52.31 C ATOM 905 CG2 VAL A 59 5.952 0.251 -9.033 1.00 24.55 C ATOM 0 H VAL A 59 5.261 3.225 -7.980 1.00 2.01 H new ATOM 0 HA VAL A 59 6.400 1.042 -6.368 1.00 23.44 H new ATOM 0 HB VAL A 59 7.198 1.972 -9.164 1.00 22.30 H new ATOM 0 HG11 VAL A 59 8.628 -0.042 -9.216 1.00 52.31 H new ATOM 0 HG12 VAL A 59 9.097 1.083 -7.919 1.00 52.31 H new ATOM 0 HG13 VAL A 59 8.179 -0.391 -7.530 1.00 52.31 H new ATOM 0 HG21 VAL A 59 6.315 -0.191 -9.961 1.00 24.55 H new ATOM 0 HG22 VAL A 59 5.726 -0.541 -8.319 1.00 24.55 H new ATOM 0 HG23 VAL A 59 5.049 0.827 -9.235 1.00 24.55 H new ATOM 915 N SER A 60 8.285 2.462 -5.656 1.00 44.42 N ATOM 916 CA SER A 60 9.392 3.200 -5.176 1.00 32.12 C ATOM 917 C SER A 60 10.611 2.318 -5.325 1.00 41.43 C ATOM 918 O SER A 60 10.475 1.091 -5.340 1.00 53.20 O ATOM 919 CB SER A 60 9.170 3.569 -3.708 1.00 54.42 C ATOM 920 OG SER A 60 10.323 4.151 -3.154 1.00 45.51 O ATOM 0 H SER A 60 8.096 1.615 -5.120 1.00 44.42 H new ATOM 0 HA SER A 60 9.522 4.126 -5.735 1.00 32.12 H new ATOM 0 HB2 SER A 60 8.333 4.263 -3.626 1.00 54.42 H new ATOM 0 HB3 SER A 60 8.901 2.677 -3.142 1.00 54.42 H new ATOM 0 HG SER A 60 10.355 5.102 -3.389 1.00 45.51 H new ATOM 926 N ALA A 61 11.761 2.916 -5.478 1.00 22.41 N ATOM 927 CA ALA A 61 12.996 2.184 -5.564 1.00 33.10 C ATOM 928 C ALA A 61 14.069 2.964 -4.872 1.00 72.32 C ATOM 929 O ALA A 61 14.170 4.174 -5.050 1.00 42.54 O ATOM 930 CB ALA A 61 13.371 1.896 -7.008 1.00 71.50 C ATOM 0 H ALA A 61 11.869 3.928 -5.547 1.00 22.41 H new ATOM 0 HA ALA A 61 12.875 1.219 -5.073 1.00 33.10 H new ATOM 0 HB1 ALA A 61 14.309 1.342 -7.037 1.00 71.50 H new ATOM 0 HB2 ALA A 61 12.585 1.304 -7.477 1.00 71.50 H new ATOM 0 HB3 ALA A 61 13.488 2.836 -7.548 1.00 71.50 H new ATOM 936 N SER A 62 14.854 2.294 -4.094 1.00 25.14 N ATOM 937 CA SER A 62 15.873 2.944 -3.343 1.00 33.14 C ATOM 938 C SER A 62 17.225 2.790 -4.020 1.00 24.04 C ATOM 939 O SER A 62 17.543 1.733 -4.574 1.00 5.41 O ATOM 940 CB SER A 62 15.916 2.343 -1.959 1.00 25.21 C ATOM 941 OG SER A 62 14.634 2.358 -1.357 1.00 1.02 O ATOM 0 H SER A 62 14.806 1.284 -3.962 1.00 25.14 H new ATOM 0 HA SER A 62 15.648 4.009 -3.280 1.00 33.14 H new ATOM 0 HB2 SER A 62 16.283 1.318 -2.015 1.00 25.21 H new ATOM 0 HB3 SER A 62 16.619 2.900 -1.339 1.00 25.21 H new ATOM 0 HG SER A 62 14.288 3.275 -1.347 1.00 1.02 H new ATOM 947 N ASP A 63 18.008 3.841 -3.979 1.00 51.11 N ATOM 948 CA ASP A 63 19.353 3.840 -4.533 1.00 70.04 C ATOM 949 C ASP A 63 20.309 3.223 -3.522 1.00 72.01 C ATOM 950 O ASP A 63 21.262 2.542 -3.885 1.00 23.21 O ATOM 951 CB ASP A 63 19.785 5.294 -4.783 1.00 14.02 C ATOM 952 CG ASP A 63 19.782 6.088 -3.485 1.00 43.34 C ATOM 953 OD1 ASP A 63 18.672 6.357 -2.973 1.00 32.14 O ATOM 954 OD2 ASP A 63 20.858 6.349 -2.931 1.00 54.02 O ATOM 0 H ASP A 63 17.734 4.729 -3.559 1.00 51.11 H new ATOM 0 HA ASP A 63 19.369 3.270 -5.462 1.00 70.04 H new ATOM 0 HB2 ASP A 63 20.782 5.312 -5.223 1.00 14.02 H new ATOM 0 HB3 ASP A 63 19.111 5.760 -5.502 1.00 14.02 H new ATOM 959 N SER A 64 19.996 3.414 -2.255 1.00 5.41 N ATOM 960 CA SER A 64 20.812 2.928 -1.186 1.00 15.41 C ATOM 961 C SER A 64 20.515 1.453 -0.932 1.00 14.30 C ATOM 962 O SER A 64 21.420 0.637 -0.749 1.00 12.11 O ATOM 963 CB SER A 64 20.541 3.769 0.056 1.00 1.24 C ATOM 964 OG SER A 64 20.677 5.166 -0.231 1.00 44.24 O ATOM 0 H SER A 64 19.162 3.915 -1.948 1.00 5.41 H new ATOM 0 HA SER A 64 21.867 3.012 -1.447 1.00 15.41 H new ATOM 0 HB2 SER A 64 19.536 3.566 0.425 1.00 1.24 H new ATOM 0 HB3 SER A 64 21.234 3.488 0.849 1.00 1.24 H new ATOM 0 HG SER A 64 20.861 5.287 -1.186 1.00 44.24 H new ATOM 970 N ASP A 65 19.252 1.101 -0.977 1.00 54.24 N ATOM 971 CA ASP A 65 18.871 -0.259 -0.773 1.00 1.12 C ATOM 972 C ASP A 65 18.484 -0.836 -2.086 1.00 64.14 C ATOM 973 O ASP A 65 17.354 -0.718 -2.527 1.00 14.33 O ATOM 974 CB ASP A 65 17.694 -0.403 0.198 1.00 31.41 C ATOM 975 CG ASP A 65 17.995 -0.032 1.630 1.00 1.20 C ATOM 976 OD1 ASP A 65 18.095 1.174 1.935 1.00 22.21 O ATOM 977 OD2 ASP A 65 18.043 -0.942 2.483 1.00 61.40 O ATOM 0 H ASP A 65 18.479 1.743 -1.153 1.00 54.24 H new ATOM 0 HA ASP A 65 19.720 -0.784 -0.335 1.00 1.12 H new ATOM 0 HB2 ASP A 65 16.872 0.219 -0.157 1.00 31.41 H new ATOM 0 HB3 ASP A 65 17.346 -1.436 0.172 1.00 31.41 H new ATOM 982 N SER A 66 19.428 -1.435 -2.722 1.00 21.02 N ATOM 983 CA SER A 66 19.220 -2.098 -3.981 1.00 1.04 C ATOM 984 C SER A 66 18.341 -3.353 -3.804 1.00 61.20 C ATOM 985 O SER A 66 17.717 -3.837 -4.733 1.00 61.12 O ATOM 986 CB SER A 66 20.578 -2.462 -4.519 1.00 72.03 C ATOM 987 OG SER A 66 21.411 -1.314 -4.567 1.00 11.53 O ATOM 0 H SER A 66 20.389 -1.484 -2.383 1.00 21.02 H new ATOM 0 HA SER A 66 18.695 -1.444 -4.677 1.00 1.04 H new ATOM 0 HB2 SER A 66 21.034 -3.225 -3.888 1.00 72.03 H new ATOM 0 HB3 SER A 66 20.479 -2.890 -5.516 1.00 72.03 H new ATOM 0 HG SER A 66 22.292 -1.563 -4.917 1.00 11.53 H new ATOM 993 N THR A 67 18.308 -3.850 -2.592 1.00 61.13 N ATOM 994 CA THR A 67 17.615 -5.065 -2.270 1.00 50.14 C ATOM 995 C THR A 67 16.275 -4.782 -1.557 1.00 2.41 C ATOM 996 O THR A 67 15.606 -5.717 -1.080 1.00 64.42 O ATOM 997 CB THR A 67 18.538 -5.972 -1.388 1.00 75.42 C ATOM 998 OG1 THR A 67 17.894 -7.200 -1.043 1.00 34.34 O ATOM 999 CG2 THR A 67 18.975 -5.246 -0.116 1.00 73.21 C ATOM 0 H THR A 67 18.769 -3.413 -1.794 1.00 61.13 H new ATOM 0 HA THR A 67 17.378 -5.587 -3.197 1.00 50.14 H new ATOM 0 HB THR A 67 19.421 -6.200 -1.985 1.00 75.42 H new ATOM 0 HG1 THR A 67 18.545 -7.807 -0.634 1.00 34.34 H new ATOM 0 HG21 THR A 67 19.615 -5.901 0.475 1.00 73.21 H new ATOM 0 HG22 THR A 67 19.527 -4.345 -0.383 1.00 73.21 H new ATOM 0 HG23 THR A 67 18.096 -4.974 0.468 1.00 73.21 H new ATOM 1007 N ASP A 68 15.869 -3.526 -1.498 1.00 61.24 N ATOM 1008 CA ASP A 68 14.655 -3.180 -0.772 1.00 5.31 C ATOM 1009 C ASP A 68 14.010 -1.940 -1.334 1.00 53.00 C ATOM 1010 O ASP A 68 14.623 -0.888 -1.393 1.00 3.21 O ATOM 1011 CB ASP A 68 14.959 -2.997 0.712 1.00 74.51 C ATOM 1012 CG ASP A 68 13.750 -2.619 1.529 1.00 4.22 C ATOM 1013 OD1 ASP A 68 12.714 -3.315 1.434 1.00 62.53 O ATOM 1014 OD2 ASP A 68 13.847 -1.635 2.304 1.00 50.43 O ATOM 0 H ASP A 68 16.350 -2.740 -1.935 1.00 61.24 H new ATOM 0 HA ASP A 68 13.950 -4.003 -0.890 1.00 5.31 H new ATOM 0 HB2 ASP A 68 15.380 -3.922 1.106 1.00 74.51 H new ATOM 0 HB3 ASP A 68 15.721 -2.226 0.827 1.00 74.51 H new ATOM 1019 N SER A 69 12.816 -2.096 -1.829 1.00 44.14 N ATOM 1020 CA SER A 69 12.033 -1.013 -2.335 1.00 24.24 C ATOM 1021 C SER A 69 10.568 -1.311 -2.061 1.00 33.00 C ATOM 1022 O SER A 69 10.212 -2.462 -1.786 1.00 33.35 O ATOM 1023 CB SER A 69 12.292 -0.817 -3.817 1.00 74.12 C ATOM 1024 OG SER A 69 13.688 -0.606 -4.055 1.00 25.23 O ATOM 0 H SER A 69 12.352 -3.002 -1.892 1.00 44.14 H new ATOM 0 HA SER A 69 12.309 -0.084 -1.837 1.00 24.24 H new ATOM 0 HB2 SER A 69 11.950 -1.691 -4.371 1.00 74.12 H new ATOM 0 HB3 SER A 69 11.721 0.036 -4.183 1.00 74.12 H new ATOM 0 HG SER A 69 13.893 -0.799 -4.994 1.00 25.23 H new ATOM 1030 N LEU A 70 9.737 -0.306 -2.140 1.00 72.03 N ATOM 1031 CA LEU A 70 8.341 -0.445 -1.809 1.00 14.43 C ATOM 1032 C LEU A 70 7.476 -0.411 -3.080 1.00 22.10 C ATOM 1033 O LEU A 70 7.564 0.520 -3.877 1.00 13.10 O ATOM 1034 CB LEU A 70 7.971 0.685 -0.795 1.00 34.12 C ATOM 1035 CG LEU A 70 6.546 0.744 -0.183 1.00 1.42 C ATOM 1036 CD1 LEU A 70 5.505 1.185 -1.189 1.00 53.22 C ATOM 1037 CD2 LEU A 70 6.163 -0.594 0.432 1.00 50.13 C ATOM 0 H LEU A 70 10.007 0.632 -2.435 1.00 72.03 H new ATOM 0 HA LEU A 70 8.147 -1.410 -1.342 1.00 14.43 H new ATOM 0 HB2 LEU A 70 8.677 0.621 0.033 1.00 34.12 H new ATOM 0 HB3 LEU A 70 8.149 1.638 -1.293 1.00 34.12 H new ATOM 0 HG LEU A 70 6.572 1.497 0.605 1.00 1.42 H new ATOM 0 HD11 LEU A 70 4.525 1.210 -0.712 1.00 53.22 H new ATOM 0 HD12 LEU A 70 5.754 2.180 -1.558 1.00 53.22 H new ATOM 0 HD13 LEU A 70 5.484 0.483 -2.023 1.00 53.22 H new ATOM 0 HD21 LEU A 70 5.160 -0.527 0.854 1.00 50.13 H new ATOM 0 HD22 LEU A 70 6.182 -1.367 -0.337 1.00 50.13 H new ATOM 0 HD23 LEU A 70 6.872 -0.849 1.220 1.00 50.13 H new ATOM 1049 N GLN A 71 6.675 -1.431 -3.255 1.00 1.14 N ATOM 1050 CA GLN A 71 5.732 -1.522 -4.358 1.00 75.44 C ATOM 1051 C GLN A 71 4.348 -1.865 -3.798 1.00 45.04 C ATOM 1052 O GLN A 71 4.208 -2.832 -3.057 1.00 4.45 O ATOM 1053 CB GLN A 71 6.188 -2.611 -5.338 1.00 72.12 C ATOM 1054 CG GLN A 71 5.226 -2.887 -6.489 1.00 22.20 C ATOM 1055 CD GLN A 71 5.680 -4.045 -7.361 1.00 25.42 C ATOM 1056 OE1 GLN A 71 6.336 -4.979 -6.891 1.00 34.43 O ATOM 1057 NE2 GLN A 71 5.335 -4.008 -8.619 1.00 20.12 N ATOM 0 H GLN A 71 6.654 -2.237 -2.630 1.00 1.14 H new ATOM 0 HA GLN A 71 5.686 -0.571 -4.888 1.00 75.44 H new ATOM 0 HB2 GLN A 71 7.154 -2.324 -5.753 1.00 72.12 H new ATOM 0 HB3 GLN A 71 6.342 -3.537 -4.783 1.00 72.12 H new ATOM 0 HG2 GLN A 71 4.237 -3.105 -6.087 1.00 22.20 H new ATOM 0 HG3 GLN A 71 5.131 -1.991 -7.102 1.00 22.20 H new ATOM 0 HE21 GLN A 71 4.793 -3.222 -8.976 1.00 20.12 H new ATOM 0 HE22 GLN A 71 5.608 -4.766 -9.245 1.00 20.12 H new ATOM 1066 N VAL A 72 3.346 -1.069 -4.107 1.00 40.32 N ATOM 1067 CA VAL A 72 1.990 -1.343 -3.628 1.00 41.34 C ATOM 1068 C VAL A 72 1.008 -1.341 -4.781 1.00 33.52 C ATOM 1069 O VAL A 72 0.918 -0.362 -5.527 1.00 31.10 O ATOM 1070 CB VAL A 72 1.502 -0.329 -2.537 1.00 73.14 C ATOM 1071 CG1 VAL A 72 0.072 -0.637 -2.096 1.00 53.15 C ATOM 1072 CG2 VAL A 72 2.414 -0.348 -1.333 1.00 3.00 C ATOM 0 H VAL A 72 3.434 -0.231 -4.682 1.00 40.32 H new ATOM 0 HA VAL A 72 2.030 -2.329 -3.165 1.00 41.34 H new ATOM 0 HB VAL A 72 1.526 0.664 -2.986 1.00 73.14 H new ATOM 0 HG11 VAL A 72 -0.238 0.083 -1.339 1.00 53.15 H new ATOM 0 HG12 VAL A 72 -0.596 -0.571 -2.955 1.00 53.15 H new ATOM 0 HG13 VAL A 72 0.029 -1.643 -1.679 1.00 53.15 H new ATOM 0 HG21 VAL A 72 2.053 0.365 -0.592 1.00 3.00 H new ATOM 0 HG22 VAL A 72 2.424 -1.348 -0.900 1.00 3.00 H new ATOM 0 HG23 VAL A 72 3.424 -0.074 -1.637 1.00 3.00 H new ATOM 1082 N ALA A 73 0.292 -2.430 -4.917 1.00 11.53 N ATOM 1083 CA ALA A 73 -0.730 -2.572 -5.920 1.00 53.02 C ATOM 1084 C ALA A 73 -2.077 -2.696 -5.243 1.00 72.11 C ATOM 1085 O ALA A 73 -2.211 -3.371 -4.213 1.00 40.31 O ATOM 1086 CB ALA A 73 -0.457 -3.772 -6.814 1.00 43.11 C ATOM 0 H ALA A 73 0.406 -3.253 -4.325 1.00 11.53 H new ATOM 0 HA ALA A 73 -0.729 -1.688 -6.558 1.00 53.02 H new ATOM 0 HB1 ALA A 73 -1.245 -3.855 -7.562 1.00 43.11 H new ATOM 0 HB2 ALA A 73 0.504 -3.644 -7.312 1.00 43.11 H new ATOM 0 HB3 ALA A 73 -0.434 -4.679 -6.209 1.00 43.11 H new ATOM 1092 N MET A 74 -3.047 -2.019 -5.784 1.00 73.44 N ATOM 1093 CA MET A 74 -4.391 -1.990 -5.247 1.00 44.44 C ATOM 1094 C MET A 74 -5.356 -2.262 -6.372 1.00 70.24 C ATOM 1095 O MET A 74 -5.229 -1.659 -7.423 1.00 12.14 O ATOM 1096 CB MET A 74 -4.685 -0.588 -4.697 1.00 62.23 C ATOM 1097 CG MET A 74 -3.743 -0.123 -3.605 1.00 1.22 C ATOM 1098 SD MET A 74 -3.988 1.604 -3.150 1.00 35.11 S ATOM 1099 CE MET A 74 -3.445 2.416 -4.646 1.00 42.43 C ATOM 0 H MET A 74 -2.932 -1.458 -6.628 1.00 73.44 H new ATOM 0 HA MET A 74 -4.492 -2.733 -4.456 1.00 44.44 H new ATOM 0 HB2 MET A 74 -4.645 0.126 -5.520 1.00 62.23 H new ATOM 0 HB3 MET A 74 -5.704 -0.571 -4.310 1.00 62.23 H new ATOM 0 HG2 MET A 74 -3.881 -0.748 -2.723 1.00 1.22 H new ATOM 0 HG3 MET A 74 -2.714 -0.263 -3.937 1.00 1.22 H new ATOM 0 HE1 MET A 74 -3.127 3.432 -4.414 1.00 42.43 H new ATOM 0 HE2 MET A 74 -2.609 1.864 -5.077 1.00 42.43 H new ATOM 0 HE3 MET A 74 -4.267 2.447 -5.362 1.00 42.43 H new ATOM 1109 N LYS A 75 -6.289 -3.163 -6.178 1.00 2.24 N ATOM 1110 CA LYS A 75 -7.288 -3.426 -7.204 1.00 13.34 C ATOM 1111 C LYS A 75 -8.698 -3.237 -6.699 1.00 53.21 C ATOM 1112 O LYS A 75 -9.025 -3.594 -5.563 1.00 30.15 O ATOM 1113 CB LYS A 75 -7.134 -4.786 -7.882 1.00 2.32 C ATOM 1114 CG LYS A 75 -7.052 -5.958 -6.958 1.00 51.40 C ATOM 1115 CD LYS A 75 -7.265 -7.321 -7.664 1.00 0.13 C ATOM 1116 CE LYS A 75 -6.206 -7.686 -8.736 1.00 43.10 C ATOM 1117 NZ LYS A 75 -6.292 -6.876 -9.984 1.00 12.50 N ATOM 0 H LYS A 75 -6.383 -3.724 -5.332 1.00 2.24 H new ATOM 0 HA LYS A 75 -7.099 -2.674 -7.970 1.00 13.34 H new ATOM 0 HB2 LYS A 75 -7.978 -4.935 -8.556 1.00 2.32 H new ATOM 0 HB3 LYS A 75 -6.234 -4.766 -8.497 1.00 2.32 H new ATOM 0 HG2 LYS A 75 -6.077 -5.959 -6.471 1.00 51.40 H new ATOM 0 HG3 LYS A 75 -7.800 -5.844 -6.173 1.00 51.40 H new ATOM 0 HD2 LYS A 75 -7.277 -8.105 -6.907 1.00 0.13 H new ATOM 0 HD3 LYS A 75 -8.248 -7.318 -8.135 1.00 0.13 H new ATOM 0 HE2 LYS A 75 -5.212 -7.563 -8.305 1.00 43.10 H new ATOM 0 HE3 LYS A 75 -6.314 -8.740 -8.993 1.00 43.10 H new ATOM 0 HZ1 LYS A 75 -6.278 -7.508 -10.810 1.00 12.50 H new ATOM 0 HZ2 LYS A 75 -7.176 -6.328 -9.982 1.00 12.50 H new ATOM 0 HZ3 LYS A 75 -5.482 -6.226 -10.032 1.00 12.50 H new ATOM 1131 N LYS A 76 -9.519 -2.724 -7.576 1.00 32.04 N ATOM 1132 CA LYS A 76 -10.875 -2.358 -7.305 1.00 15.20 C ATOM 1133 C LYS A 76 -11.811 -3.567 -7.365 1.00 43.10 C ATOM 1134 O LYS A 76 -11.975 -4.183 -8.438 1.00 11.40 O ATOM 1135 CB LYS A 76 -11.306 -1.405 -8.403 1.00 23.44 C ATOM 1136 CG LYS A 76 -12.694 -0.832 -8.238 1.00 60.31 C ATOM 1137 CD LYS A 76 -13.294 -0.468 -9.582 1.00 12.02 C ATOM 1138 CE LYS A 76 -13.863 -1.703 -10.306 1.00 63.54 C ATOM 1139 NZ LYS A 76 -12.859 -2.766 -10.654 1.00 43.01 N ATOM 0 H LYS A 76 -9.244 -2.543 -8.541 1.00 32.04 H new ATOM 0 HA LYS A 76 -10.929 -1.921 -6.308 1.00 15.20 H new ATOM 0 HB2 LYS A 76 -10.592 -0.583 -8.451 1.00 23.44 H new ATOM 0 HB3 LYS A 76 -11.255 -1.927 -9.358 1.00 23.44 H new ATOM 0 HG2 LYS A 76 -13.333 -1.557 -7.735 1.00 60.31 H new ATOM 0 HG3 LYS A 76 -12.653 0.052 -7.602 1.00 60.31 H new ATOM 0 HD2 LYS A 76 -14.086 0.267 -9.440 1.00 12.02 H new ATOM 0 HD3 LYS A 76 -12.532 0.000 -10.205 1.00 12.02 H new ATOM 0 HE2 LYS A 76 -14.635 -2.148 -9.678 1.00 63.54 H new ATOM 0 HE3 LYS A 76 -14.350 -1.373 -11.224 1.00 63.54 H new ATOM 0 HZ1 LYS A 76 -13.305 -3.478 -11.267 1.00 43.01 H new ATOM 0 HZ2 LYS A 76 -12.055 -2.334 -11.153 1.00 43.01 H new ATOM 0 HZ3 LYS A 76 -12.521 -3.223 -9.783 1.00 43.01 H new ATOM 1153 N LEU A 77 -12.455 -3.860 -6.271 1.00 63.23 N ATOM 1154 CA LEU A 77 -13.446 -4.926 -6.222 1.00 73.31 C ATOM 1155 C LEU A 77 -14.850 -4.322 -6.371 1.00 25.44 C ATOM 1156 O LEU A 77 -15.091 -3.206 -5.908 1.00 13.22 O ATOM 1157 CB LEU A 77 -13.358 -5.779 -4.926 1.00 43.04 C ATOM 1158 CG LEU A 77 -12.229 -6.833 -4.829 1.00 64.30 C ATOM 1159 CD1 LEU A 77 -10.850 -6.208 -4.861 1.00 22.31 C ATOM 1160 CD2 LEU A 77 -12.397 -7.672 -3.574 1.00 23.44 C ATOM 0 H LEU A 77 -12.317 -3.375 -5.384 1.00 63.23 H new ATOM 0 HA LEU A 77 -13.238 -5.604 -7.049 1.00 73.31 H new ATOM 0 HB2 LEU A 77 -13.252 -5.096 -4.083 1.00 43.04 H new ATOM 0 HB3 LEU A 77 -14.310 -6.295 -4.800 1.00 43.04 H new ATOM 0 HG LEU A 77 -12.312 -7.473 -5.707 1.00 64.30 H new ATOM 0 HD11 LEU A 77 -10.094 -6.990 -4.790 1.00 22.31 H new ATOM 0 HD12 LEU A 77 -10.720 -5.661 -5.795 1.00 22.31 H new ATOM 0 HD13 LEU A 77 -10.742 -5.522 -4.021 1.00 22.31 H new ATOM 0 HD21 LEU A 77 -11.596 -8.409 -3.519 1.00 23.44 H new ATOM 0 HD22 LEU A 77 -12.357 -7.026 -2.697 1.00 23.44 H new ATOM 0 HD23 LEU A 77 -13.359 -8.183 -3.604 1.00 23.44 H new ATOM 1172 N PRO A 78 -15.799 -5.047 -7.015 1.00 44.43 N ATOM 1173 CA PRO A 78 -17.168 -4.535 -7.286 1.00 2.35 C ATOM 1174 C PRO A 78 -18.008 -4.337 -6.018 1.00 14.12 C ATOM 1175 O PRO A 78 -18.993 -3.623 -6.028 1.00 1.42 O ATOM 1176 CB PRO A 78 -17.802 -5.630 -8.164 1.00 53.22 C ATOM 1177 CG PRO A 78 -16.673 -6.496 -8.610 1.00 4.31 C ATOM 1178 CD PRO A 78 -15.632 -6.417 -7.535 1.00 32.41 C ATOM 0 HA PRO A 78 -17.127 -3.551 -7.752 1.00 2.35 H new ATOM 0 HB2 PRO A 78 -18.538 -6.205 -7.602 1.00 53.22 H new ATOM 0 HB3 PRO A 78 -18.322 -5.195 -9.017 1.00 53.22 H new ATOM 0 HG2 PRO A 78 -17.005 -7.524 -8.755 1.00 4.31 H new ATOM 0 HG3 PRO A 78 -16.273 -6.153 -9.564 1.00 4.31 H new ATOM 0 HD2 PRO A 78 -15.794 -7.166 -6.760 1.00 32.41 H new ATOM 0 HD3 PRO A 78 -14.629 -6.580 -7.931 1.00 32.41 H new ATOM 1186 N ASN A 79 -17.577 -4.938 -4.928 1.00 71.32 N ATOM 1187 CA ASN A 79 -18.315 -4.878 -3.652 1.00 70.23 C ATOM 1188 C ASN A 79 -17.889 -3.626 -2.865 1.00 55.34 C ATOM 1189 O ASN A 79 -18.241 -3.450 -1.712 1.00 54.52 O ATOM 1190 CB ASN A 79 -18.025 -6.170 -2.838 1.00 63.53 C ATOM 1191 CG ASN A 79 -18.935 -6.383 -1.615 1.00 52.30 C ATOM 1192 OD1 ASN A 79 -20.010 -6.951 -1.737 1.00 25.44 O ATOM 1193 ND2 ASN A 79 -18.498 -5.980 -0.441 1.00 44.14 N ATOM 0 H ASN A 79 -16.715 -5.481 -4.886 1.00 71.32 H new ATOM 0 HA ASN A 79 -19.386 -4.813 -3.841 1.00 70.23 H new ATOM 0 HB2 ASN A 79 -18.124 -7.030 -3.501 1.00 63.53 H new ATOM 0 HB3 ASN A 79 -16.989 -6.145 -2.502 1.00 63.53 H new ATOM 0 HD21 ASN A 79 -19.060 -6.140 0.395 1.00 44.14 H new ATOM 0 HD22 ASN A 79 -17.597 -5.508 -0.367 1.00 44.14 H new ATOM 1200 N ASN A 80 -17.165 -2.731 -3.548 1.00 25.21 N ATOM 1201 CA ASN A 80 -16.586 -1.526 -2.936 1.00 22.34 C ATOM 1202 C ASN A 80 -15.555 -1.922 -1.931 1.00 61.02 C ATOM 1203 O ASN A 80 -15.546 -1.473 -0.793 1.00 30.13 O ATOM 1204 CB ASN A 80 -17.632 -0.561 -2.328 1.00 3.13 C ATOM 1205 CG ASN A 80 -18.433 0.174 -3.376 1.00 14.31 C ATOM 1206 OD1 ASN A 80 -18.041 1.253 -3.825 1.00 75.23 O ATOM 1207 ND2 ASN A 80 -19.554 -0.383 -3.769 1.00 51.22 N ATOM 0 H ASN A 80 -16.963 -2.821 -4.544 1.00 25.21 H new ATOM 0 HA ASN A 80 -16.118 -0.956 -3.739 1.00 22.34 H new ATOM 0 HB2 ASN A 80 -18.311 -1.125 -1.689 1.00 3.13 H new ATOM 0 HB3 ASN A 80 -17.124 0.164 -1.692 1.00 3.13 H new ATOM 0 HD21 ASN A 80 -20.134 0.078 -4.470 1.00 51.22 H new ATOM 0 HD22 ASN A 80 -19.845 -1.277 -3.374 1.00 51.22 H new ATOM 1214 N ALA A 81 -14.696 -2.787 -2.376 1.00 54.43 N ATOM 1215 CA ALA A 81 -13.618 -3.282 -1.600 1.00 52.11 C ATOM 1216 C ALA A 81 -12.380 -3.175 -2.434 1.00 75.05 C ATOM 1217 O ALA A 81 -12.470 -3.026 -3.656 1.00 70.31 O ATOM 1218 CB ALA A 81 -13.868 -4.723 -1.192 1.00 64.31 C ATOM 0 H ALA A 81 -14.733 -3.175 -3.319 1.00 54.43 H new ATOM 0 HA ALA A 81 -13.511 -2.703 -0.683 1.00 52.11 H new ATOM 0 HB1 ALA A 81 -13.029 -5.084 -0.597 1.00 64.31 H new ATOM 0 HB2 ALA A 81 -14.782 -4.781 -0.602 1.00 64.31 H new ATOM 0 HB3 ALA A 81 -13.973 -5.341 -2.084 1.00 64.31 H new ATOM 1224 N THR A 82 -11.258 -3.220 -1.817 1.00 44.14 N ATOM 1225 CA THR A 82 -10.027 -3.130 -2.516 1.00 14.03 C ATOM 1226 C THR A 82 -9.053 -4.183 -1.982 1.00 0.11 C ATOM 1227 O THR A 82 -8.999 -4.449 -0.778 1.00 2.53 O ATOM 1228 CB THR A 82 -9.424 -1.715 -2.383 1.00 21.01 C ATOM 1229 OG1 THR A 82 -10.429 -0.739 -2.726 1.00 61.24 O ATOM 1230 CG2 THR A 82 -8.239 -1.556 -3.331 1.00 33.33 C ATOM 0 H THR A 82 -11.165 -3.321 -0.806 1.00 44.14 H new ATOM 0 HA THR A 82 -10.208 -3.318 -3.574 1.00 14.03 H new ATOM 0 HB THR A 82 -9.087 -1.568 -1.357 1.00 21.01 H new ATOM 0 HG1 THR A 82 -11.103 -0.700 -2.016 1.00 61.24 H new ATOM 0 HG21 THR A 82 -7.822 -0.554 -3.228 1.00 33.33 H new ATOM 0 HG22 THR A 82 -7.475 -2.294 -3.085 1.00 33.33 H new ATOM 0 HG23 THR A 82 -8.572 -1.707 -4.358 1.00 33.33 H new ATOM 1238 N ARG A 83 -8.335 -4.796 -2.869 1.00 63.42 N ATOM 1239 CA ARG A 83 -7.342 -5.775 -2.515 1.00 51.01 C ATOM 1240 C ARG A 83 -5.994 -5.110 -2.633 1.00 14.15 C ATOM 1241 O ARG A 83 -5.693 -4.486 -3.648 1.00 14.44 O ATOM 1242 CB ARG A 83 -7.458 -7.003 -3.453 1.00 24.33 C ATOM 1243 CG ARG A 83 -6.285 -8.000 -3.444 1.00 32.21 C ATOM 1244 CD ARG A 83 -6.047 -8.663 -2.096 1.00 64.42 C ATOM 1245 NE ARG A 83 -7.202 -9.432 -1.602 1.00 41.10 N ATOM 1246 CZ ARG A 83 -7.384 -10.757 -1.743 1.00 31.51 C ATOM 1247 NH1 ARG A 83 -6.537 -11.489 -2.481 1.00 74.15 N ATOM 1248 NH2 ARG A 83 -8.417 -11.342 -1.138 1.00 33.45 N ATOM 0 H ARG A 83 -8.418 -4.633 -3.872 1.00 63.42 H new ATOM 0 HA ARG A 83 -7.483 -6.136 -1.496 1.00 51.01 H new ATOM 0 HB2 ARG A 83 -8.366 -7.546 -3.191 1.00 24.33 H new ATOM 0 HB3 ARG A 83 -7.587 -6.640 -4.473 1.00 24.33 H new ATOM 0 HG2 ARG A 83 -6.473 -8.773 -4.189 1.00 32.21 H new ATOM 0 HG3 ARG A 83 -5.377 -7.479 -3.747 1.00 32.21 H new ATOM 0 HD2 ARG A 83 -5.186 -9.327 -2.175 1.00 64.42 H new ATOM 0 HD3 ARG A 83 -5.792 -7.897 -1.364 1.00 64.42 H new ATOM 0 HE ARG A 83 -7.929 -8.913 -1.109 1.00 41.10 H new ATOM 0 HH11 ARG A 83 -5.745 -11.042 -2.942 1.00 74.15 H new ATOM 0 HH12 ARG A 83 -6.685 -12.493 -2.581 1.00 74.15 H new ATOM 0 HH21 ARG A 83 -9.060 -10.786 -0.575 1.00 33.45 H new ATOM 0 HH22 ARG A 83 -8.565 -12.346 -1.238 1.00 33.45 H new ATOM 1262 N ILE A 84 -5.215 -5.232 -1.592 1.00 4.12 N ATOM 1263 CA ILE A 84 -3.926 -4.599 -1.503 1.00 23.55 C ATOM 1264 C ILE A 84 -2.848 -5.652 -1.509 1.00 13.21 C ATOM 1265 O ILE A 84 -2.973 -6.707 -0.864 1.00 50.23 O ATOM 1266 CB ILE A 84 -3.820 -3.685 -0.202 1.00 71.05 C ATOM 1267 CG1 ILE A 84 -4.156 -2.225 -0.505 1.00 31.20 C ATOM 1268 CG2 ILE A 84 -2.466 -3.767 0.499 1.00 10.44 C ATOM 1269 CD1 ILE A 84 -5.547 -1.979 -1.024 1.00 44.32 C ATOM 0 H ILE A 84 -5.461 -5.782 -0.769 1.00 4.12 H new ATOM 0 HA ILE A 84 -3.795 -3.948 -2.367 1.00 23.55 H new ATOM 0 HB ILE A 84 -4.563 -4.091 0.485 1.00 71.05 H new ATOM 0 HG12 ILE A 84 -4.017 -1.641 0.405 1.00 31.20 H new ATOM 0 HG13 ILE A 84 -3.441 -1.849 -1.237 1.00 31.20 H new ATOM 0 HG21 ILE A 84 -2.470 -3.118 1.375 1.00 10.44 H new ATOM 0 HG22 ILE A 84 -2.279 -4.795 0.810 1.00 10.44 H new ATOM 0 HG23 ILE A 84 -1.681 -3.446 -0.186 1.00 10.44 H new ATOM 0 HD11 ILE A 84 -5.684 -0.913 -1.207 1.00 44.32 H new ATOM 0 HD12 ILE A 84 -5.691 -2.528 -1.954 1.00 44.32 H new ATOM 0 HD13 ILE A 84 -6.275 -2.317 -0.287 1.00 44.32 H new ATOM 1281 N SER A 85 -1.871 -5.411 -2.318 1.00 65.32 N ATOM 1282 CA SER A 85 -0.716 -6.233 -2.420 1.00 13.45 C ATOM 1283 C SER A 85 0.526 -5.350 -2.262 1.00 45.32 C ATOM 1284 O SER A 85 0.752 -4.435 -3.056 1.00 12.43 O ATOM 1285 CB SER A 85 -0.758 -6.952 -3.757 1.00 71.04 C ATOM 1286 OG SER A 85 -1.997 -7.649 -3.870 1.00 62.32 O ATOM 0 H SER A 85 -1.856 -4.608 -2.947 1.00 65.32 H new ATOM 0 HA SER A 85 -0.683 -6.990 -1.636 1.00 13.45 H new ATOM 0 HB2 SER A 85 -0.653 -6.237 -4.573 1.00 71.04 H new ATOM 0 HB3 SER A 85 0.075 -7.650 -3.836 1.00 71.04 H new ATOM 0 HG SER A 85 -2.033 -8.115 -4.731 1.00 62.32 H new ATOM 1292 N ILE A 86 1.286 -5.595 -1.230 1.00 54.34 N ATOM 1293 CA ILE A 86 2.465 -4.803 -0.922 1.00 32.24 C ATOM 1294 C ILE A 86 3.696 -5.656 -1.073 1.00 44.11 C ATOM 1295 O ILE A 86 3.753 -6.751 -0.532 1.00 53.14 O ATOM 1296 CB ILE A 86 2.409 -4.270 0.547 1.00 60.11 C ATOM 1297 CG1 ILE A 86 1.171 -3.384 0.758 1.00 52.43 C ATOM 1298 CG2 ILE A 86 3.708 -3.546 0.954 1.00 33.34 C ATOM 1299 CD1 ILE A 86 0.984 -2.892 2.176 1.00 62.13 C ATOM 0 H ILE A 86 1.111 -6.352 -0.570 1.00 54.34 H new ATOM 0 HA ILE A 86 2.497 -3.958 -1.610 1.00 32.24 H new ATOM 0 HB ILE A 86 2.320 -5.134 1.206 1.00 60.11 H new ATOM 0 HG12 ILE A 86 1.240 -2.522 0.094 1.00 52.43 H new ATOM 0 HG13 ILE A 86 0.284 -3.945 0.462 1.00 52.43 H new ATOM 0 HG21 ILE A 86 3.621 -3.194 1.982 1.00 33.34 H new ATOM 0 HG22 ILE A 86 4.549 -4.236 0.876 1.00 33.34 H new ATOM 0 HG23 ILE A 86 3.874 -2.696 0.292 1.00 33.34 H new ATOM 0 HD11 ILE A 86 0.087 -2.275 2.232 1.00 62.13 H new ATOM 0 HD12 ILE A 86 0.880 -3.745 2.846 1.00 62.13 H new ATOM 0 HD13 ILE A 86 1.850 -2.301 2.473 1.00 62.13 H new ATOM 1311 N LYS A 87 4.655 -5.178 -1.799 1.00 75.04 N ATOM 1312 CA LYS A 87 5.896 -5.860 -1.926 1.00 33.40 C ATOM 1313 C LYS A 87 6.985 -5.027 -1.280 1.00 73.45 C ATOM 1314 O LYS A 87 7.170 -3.847 -1.602 1.00 23.33 O ATOM 1315 CB LYS A 87 6.230 -6.186 -3.392 1.00 2.32 C ATOM 1316 CG LYS A 87 7.538 -6.963 -3.581 1.00 14.50 C ATOM 1317 CD LYS A 87 7.517 -8.305 -2.849 1.00 71.30 C ATOM 1318 CE LYS A 87 8.824 -9.057 -3.031 1.00 3.14 C ATOM 1319 NZ LYS A 87 8.819 -10.364 -2.325 1.00 33.23 N ATOM 0 H LYS A 87 4.597 -4.303 -2.320 1.00 75.04 H new ATOM 0 HA LYS A 87 5.822 -6.819 -1.413 1.00 33.40 H new ATOM 0 HB2 LYS A 87 5.411 -6.765 -3.819 1.00 2.32 H new ATOM 0 HB3 LYS A 87 6.289 -5.255 -3.955 1.00 2.32 H new ATOM 0 HG2 LYS A 87 7.709 -7.132 -4.644 1.00 14.50 H new ATOM 0 HG3 LYS A 87 8.372 -6.364 -3.216 1.00 14.50 H new ATOM 0 HD2 LYS A 87 7.336 -8.139 -1.787 1.00 71.30 H new ATOM 0 HD3 LYS A 87 6.692 -8.912 -3.222 1.00 71.30 H new ATOM 0 HE2 LYS A 87 9.003 -9.220 -4.094 1.00 3.14 H new ATOM 0 HE3 LYS A 87 9.647 -8.447 -2.659 1.00 3.14 H new ATOM 0 HZ1 LYS A 87 9.573 -10.968 -2.708 1.00 33.23 H new ATOM 0 HZ2 LYS A 87 8.981 -10.210 -1.309 1.00 33.23 H new ATOM 0 HZ3 LYS A 87 7.899 -10.829 -2.463 1.00 33.23 H new ATOM 1333 N TYR A 88 7.627 -5.636 -0.339 1.00 54.32 N ATOM 1334 CA TYR A 88 8.704 -5.080 0.403 1.00 24.30 C ATOM 1335 C TYR A 88 9.897 -5.967 0.132 1.00 64.32 C ATOM 1336 O TYR A 88 9.713 -7.139 -0.281 1.00 11.35 O ATOM 1337 CB TYR A 88 8.346 -5.134 1.875 1.00 14.34 C ATOM 1338 CG TYR A 88 8.778 -3.926 2.675 1.00 24.02 C ATOM 1339 CD1 TYR A 88 7.933 -2.834 2.786 1.00 22.23 C ATOM 1340 CD2 TYR A 88 10.002 -3.875 3.324 1.00 21.21 C ATOM 1341 CE1 TYR A 88 8.287 -1.724 3.516 1.00 43.20 C ATOM 1342 CE2 TYR A 88 10.367 -2.762 4.060 1.00 1.11 C ATOM 1343 CZ TYR A 88 9.502 -1.689 4.151 1.00 64.22 C ATOM 1344 OH TYR A 88 9.858 -0.572 4.883 1.00 5.24 O ATOM 0 H TYR A 88 7.399 -6.588 -0.053 1.00 54.32 H new ATOM 0 HA TYR A 88 8.913 -4.046 0.128 1.00 24.30 H new ATOM 0 HB2 TYR A 88 7.266 -5.247 1.968 1.00 14.34 H new ATOM 0 HB3 TYR A 88 8.799 -6.024 2.313 1.00 14.34 H new ATOM 0 HD1 TYR A 88 6.975 -2.855 2.288 1.00 22.23 H new ATOM 0 HD2 TYR A 88 10.678 -4.714 3.254 1.00 21.21 H new ATOM 0 HE1 TYR A 88 7.612 -0.884 3.589 1.00 43.20 H new ATOM 0 HE2 TYR A 88 11.323 -2.732 4.561 1.00 1.11 H new ATOM 0 HH TYR A 88 10.664 -0.171 4.496 1.00 5.24 H new ATOM 1354 N GLY A 89 11.090 -5.459 0.301 1.00 52.11 N ATOM 1355 CA GLY A 89 12.241 -6.262 0.032 1.00 4.51 C ATOM 1356 C GLY A 89 12.637 -7.129 1.208 1.00 52.55 C ATOM 1357 O GLY A 89 11.797 -7.514 2.038 1.00 3.13 O ATOM 0 H GLY A 89 11.283 -4.509 0.618 1.00 52.11 H new ATOM 0 HA2 GLY A 89 12.042 -6.897 -0.831 1.00 4.51 H new ATOM 0 HA3 GLY A 89 13.076 -5.614 -0.234 1.00 4.51 H new ATOM 1361 N SER A 90 13.919 -7.390 1.286 1.00 31.34 N ATOM 1362 CA SER A 90 14.564 -8.237 2.293 1.00 11.32 C ATOM 1363 C SER A 90 14.302 -7.786 3.753 1.00 34.04 C ATOM 1364 O SER A 90 14.577 -8.520 4.694 1.00 24.30 O ATOM 1365 CB SER A 90 16.055 -8.266 1.993 1.00 71.50 C ATOM 1366 OG SER A 90 16.255 -8.577 0.620 1.00 74.42 O ATOM 0 H SER A 90 14.587 -7.003 0.619 1.00 31.34 H new ATOM 0 HA SER A 90 14.129 -9.234 2.226 1.00 11.32 H new ATOM 0 HB2 SER A 90 16.503 -7.300 2.227 1.00 71.50 H new ATOM 0 HB3 SER A 90 16.549 -9.008 2.621 1.00 71.50 H new ATOM 0 HG SER A 90 16.851 -7.911 0.217 1.00 74.42 H new ATOM 1372 N GLN A 91 13.815 -6.574 3.917 1.00 31.40 N ATOM 1373 CA GLN A 91 13.601 -5.985 5.230 1.00 63.23 C ATOM 1374 C GLN A 91 12.271 -6.459 5.837 1.00 12.53 C ATOM 1375 O GLN A 91 12.099 -6.443 7.051 1.00 32.14 O ATOM 1376 CB GLN A 91 13.604 -4.483 5.070 1.00 23.33 C ATOM 1377 CG GLN A 91 14.883 -3.955 4.442 1.00 11.24 C ATOM 1378 CD GLN A 91 16.073 -3.955 5.370 1.00 5.21 C ATOM 1379 OE1 GLN A 91 16.346 -2.964 6.034 1.00 53.31 O ATOM 1380 NE2 GLN A 91 16.785 -5.051 5.432 1.00 61.10 N ATOM 0 H GLN A 91 13.554 -5.964 3.142 1.00 31.40 H new ATOM 0 HA GLN A 91 14.394 -6.296 5.909 1.00 63.23 H new ATOM 0 HB2 GLN A 91 12.755 -4.187 4.454 1.00 23.33 H new ATOM 0 HB3 GLN A 91 13.467 -4.019 6.047 1.00 23.33 H new ATOM 0 HG2 GLN A 91 15.120 -4.558 3.565 1.00 11.24 H new ATOM 0 HG3 GLN A 91 14.709 -2.938 4.092 1.00 11.24 H new ATOM 0 HE21 GLN A 91 16.529 -5.859 4.864 1.00 61.10 H new ATOM 0 HE22 GLN A 91 17.597 -5.098 6.048 1.00 61.10 H new ATOM 1389 N GLY A 92 11.348 -6.889 4.991 1.00 4.31 N ATOM 1390 CA GLY A 92 10.113 -7.446 5.485 1.00 71.43 C ATOM 1391 C GLY A 92 8.989 -6.438 5.700 1.00 14.24 C ATOM 1392 O GLY A 92 9.051 -5.573 6.579 1.00 50.15 O ATOM 0 H GLY A 92 11.434 -6.861 3.975 1.00 4.31 H new ATOM 0 HA2 GLY A 92 9.769 -8.206 4.784 1.00 71.43 H new ATOM 0 HA3 GLY A 92 10.313 -7.951 6.430 1.00 71.43 H new ATOM 1396 N ASN A 93 7.952 -6.562 4.882 1.00 13.53 N ATOM 1397 CA ASN A 93 6.712 -5.780 4.984 1.00 1.54 C ATOM 1398 C ASN A 93 6.058 -5.843 6.376 1.00 54.53 C ATOM 1399 O ASN A 93 5.344 -4.926 6.730 1.00 65.44 O ATOM 1400 CB ASN A 93 5.669 -6.332 3.977 1.00 13.11 C ATOM 1401 CG ASN A 93 5.108 -7.709 4.388 1.00 15.45 C ATOM 1402 OD1 ASN A 93 5.682 -8.737 4.088 1.00 40.21 O ATOM 1403 ND2 ASN A 93 3.981 -7.728 5.059 1.00 53.31 N ATOM 0 H ASN A 93 7.943 -7.225 4.107 1.00 13.53 H new ATOM 0 HA ASN A 93 6.994 -4.747 4.777 1.00 1.54 H new ATOM 0 HB2 ASN A 93 4.847 -5.622 3.888 1.00 13.11 H new ATOM 0 HB3 ASN A 93 6.129 -6.412 2.992 1.00 13.11 H new ATOM 0 HD21 ASN A 93 3.569 -8.618 5.340 1.00 53.31 H new ATOM 0 HD22 ASN A 93 3.516 -6.853 5.300 1.00 53.31 H new ATOM 1410 N SER A 94 6.359 -6.872 7.159 1.00 30.23 N ATOM 1411 CA SER A 94 5.602 -7.252 8.360 1.00 71.13 C ATOM 1412 C SER A 94 5.197 -6.073 9.286 1.00 41.42 C ATOM 1413 O SER A 94 4.009 -5.843 9.499 1.00 54.54 O ATOM 1414 CB SER A 94 6.429 -8.279 9.121 1.00 43.43 C ATOM 1415 OG SER A 94 6.881 -9.295 8.229 1.00 64.02 O ATOM 0 H SER A 94 7.154 -7.484 6.978 1.00 30.23 H new ATOM 0 HA SER A 94 4.649 -7.662 8.027 1.00 71.13 H new ATOM 0 HB2 SER A 94 7.282 -7.793 9.595 1.00 43.43 H new ATOM 0 HB3 SER A 94 5.831 -8.722 9.918 1.00 43.43 H new ATOM 0 HG SER A 94 7.414 -9.952 8.724 1.00 64.02 H new ATOM 1421 N ILE A 95 6.148 -5.300 9.761 1.00 51.22 N ATOM 1422 CA ILE A 95 5.821 -4.190 10.665 1.00 22.33 C ATOM 1423 C ILE A 95 5.272 -2.994 9.869 1.00 44.44 C ATOM 1424 O ILE A 95 4.256 -2.385 10.220 1.00 33.14 O ATOM 1425 CB ILE A 95 7.057 -3.726 11.545 1.00 70.32 C ATOM 1426 CG1 ILE A 95 7.536 -4.821 12.540 1.00 43.40 C ATOM 1427 CG2 ILE A 95 6.749 -2.440 12.313 1.00 10.23 C ATOM 1428 CD1 ILE A 95 8.222 -6.024 11.919 1.00 25.22 C ATOM 0 H ILE A 95 7.140 -5.406 9.549 1.00 51.22 H new ATOM 0 HA ILE A 95 5.058 -4.562 11.349 1.00 22.33 H new ATOM 0 HB ILE A 95 7.866 -3.539 10.839 1.00 70.32 H new ATOM 0 HG12 ILE A 95 8.222 -4.363 13.252 1.00 43.40 H new ATOM 0 HG13 ILE A 95 6.674 -5.171 13.108 1.00 43.40 H new ATOM 0 HG21 ILE A 95 7.618 -2.152 12.905 1.00 10.23 H new ATOM 0 HG22 ILE A 95 6.510 -1.644 11.608 1.00 10.23 H new ATOM 0 HG23 ILE A 95 5.899 -2.606 12.975 1.00 10.23 H new ATOM 0 HD11 ILE A 95 8.513 -6.722 12.704 1.00 25.22 H new ATOM 0 HD12 ILE A 95 7.537 -6.518 11.230 1.00 25.22 H new ATOM 0 HD13 ILE A 95 9.109 -5.697 11.377 1.00 25.22 H new ATOM 1440 N ARG A 96 5.914 -2.738 8.757 1.00 13.44 N ATOM 1441 CA ARG A 96 5.661 -1.566 7.930 1.00 12.13 C ATOM 1442 C ARG A 96 4.267 -1.579 7.298 1.00 52.05 C ATOM 1443 O ARG A 96 3.555 -0.583 7.344 1.00 30.21 O ATOM 1444 CB ARG A 96 6.752 -1.483 6.867 1.00 44.14 C ATOM 1445 CG ARG A 96 8.152 -1.377 7.468 1.00 21.31 C ATOM 1446 CD ARG A 96 8.418 0.004 8.051 1.00 20.21 C ATOM 1447 NE ARG A 96 8.667 0.992 6.997 1.00 1.12 N ATOM 1448 CZ ARG A 96 8.425 2.315 7.078 1.00 40.42 C ATOM 1449 NH1 ARG A 96 7.800 2.833 8.148 1.00 63.34 N ATOM 1450 NH2 ARG A 96 8.813 3.113 6.087 1.00 53.40 N ATOM 0 H ARG A 96 6.644 -3.346 8.386 1.00 13.44 H new ATOM 0 HA ARG A 96 5.687 -0.679 8.563 1.00 12.13 H new ATOM 0 HB2 ARG A 96 6.700 -2.366 6.229 1.00 44.14 H new ATOM 0 HB3 ARG A 96 6.568 -0.618 6.230 1.00 44.14 H new ATOM 0 HG2 ARG A 96 8.270 -2.129 8.248 1.00 21.31 H new ATOM 0 HG3 ARG A 96 8.894 -1.596 6.700 1.00 21.31 H new ATOM 0 HD2 ARG A 96 7.564 0.318 8.651 1.00 20.21 H new ATOM 0 HD3 ARG A 96 9.278 -0.041 8.719 1.00 20.21 H new ATOM 0 HE ARG A 96 9.060 0.646 6.122 1.00 1.12 H new ATOM 0 HH11 ARG A 96 7.503 2.223 8.910 1.00 63.34 H new ATOM 0 HH12 ARG A 96 7.622 3.836 8.199 1.00 63.34 H new ATOM 0 HH21 ARG A 96 9.290 2.722 5.274 1.00 53.40 H new ATOM 0 HH22 ARG A 96 8.634 4.116 6.140 1.00 53.40 H new ATOM 1464 N SER A 97 3.879 -2.709 6.752 1.00 33.52 N ATOM 1465 CA SER A 97 2.600 -2.835 6.076 1.00 62.23 C ATOM 1466 C SER A 97 1.424 -2.741 7.041 1.00 1.32 C ATOM 1467 O SER A 97 0.401 -2.166 6.706 1.00 53.32 O ATOM 1468 CB SER A 97 2.540 -4.126 5.240 1.00 41.53 C ATOM 1469 OG SER A 97 2.832 -5.283 6.022 1.00 65.22 O ATOM 0 H SER A 97 4.435 -3.564 6.761 1.00 33.52 H new ATOM 0 HA SER A 97 2.514 -1.988 5.395 1.00 62.23 H new ATOM 0 HB2 SER A 97 1.548 -4.227 4.800 1.00 41.53 H new ATOM 0 HB3 SER A 97 3.249 -4.057 4.415 1.00 41.53 H new ATOM 0 HG SER A 97 3.720 -5.189 6.426 1.00 65.22 H new ATOM 1475 N SER A 98 1.595 -3.266 8.247 1.00 62.43 N ATOM 1476 CA SER A 98 0.541 -3.245 9.237 1.00 12.40 C ATOM 1477 C SER A 98 0.252 -1.791 9.643 1.00 75.35 C ATOM 1478 O SER A 98 -0.911 -1.366 9.725 1.00 33.32 O ATOM 1479 CB SER A 98 0.944 -4.104 10.452 1.00 60.14 C ATOM 1480 OG SER A 98 -0.140 -4.293 11.343 1.00 50.51 O ATOM 0 H SER A 98 2.458 -3.711 8.558 1.00 62.43 H new ATOM 0 HA SER A 98 -0.371 -3.671 8.819 1.00 12.40 H new ATOM 0 HB2 SER A 98 1.306 -5.073 10.108 1.00 60.14 H new ATOM 0 HB3 SER A 98 1.769 -3.624 10.979 1.00 60.14 H new ATOM 0 HG SER A 98 0.151 -4.843 12.100 1.00 50.51 H new ATOM 1486 N ALA A 99 1.320 -1.019 9.825 1.00 55.30 N ATOM 1487 CA ALA A 99 1.200 0.382 10.178 1.00 14.55 C ATOM 1488 C ALA A 99 0.605 1.171 9.016 1.00 40.30 C ATOM 1489 O ALA A 99 -0.243 2.039 9.214 1.00 3.42 O ATOM 1490 CB ALA A 99 2.554 0.947 10.576 1.00 63.30 C ATOM 0 H ALA A 99 2.281 -1.348 9.732 1.00 55.30 H new ATOM 0 HA ALA A 99 0.529 0.471 11.033 1.00 14.55 H new ATOM 0 HB1 ALA A 99 2.446 2.000 10.838 1.00 63.30 H new ATOM 0 HB2 ALA A 99 2.940 0.397 11.434 1.00 63.30 H new ATOM 0 HB3 ALA A 99 3.248 0.850 9.741 1.00 63.30 H new ATOM 1496 N LEU A 100 1.044 0.833 7.803 1.00 74.42 N ATOM 1497 CA LEU A 100 0.577 1.463 6.584 1.00 34.45 C ATOM 1498 C LEU A 100 -0.927 1.297 6.456 1.00 45.42 C ATOM 1499 O LEU A 100 -1.635 2.261 6.208 1.00 54.12 O ATOM 1500 CB LEU A 100 1.261 0.824 5.385 1.00 24.13 C ATOM 1501 CG LEU A 100 1.114 1.552 4.049 1.00 61.45 C ATOM 1502 CD1 LEU A 100 1.744 2.934 4.122 1.00 42.55 C ATOM 1503 CD2 LEU A 100 1.743 0.739 2.934 1.00 32.41 C ATOM 0 H LEU A 100 1.741 0.105 7.646 1.00 74.42 H new ATOM 0 HA LEU A 100 0.818 2.525 6.619 1.00 34.45 H new ATOM 0 HB2 LEU A 100 2.324 0.731 5.608 1.00 24.13 H new ATOM 0 HB3 LEU A 100 0.870 -0.187 5.268 1.00 24.13 H new ATOM 0 HG LEU A 100 0.052 1.671 3.835 1.00 61.45 H new ATOM 0 HD11 LEU A 100 1.630 3.437 3.162 1.00 42.55 H new ATOM 0 HD12 LEU A 100 1.251 3.518 4.899 1.00 42.55 H new ATOM 0 HD13 LEU A 100 2.804 2.839 4.358 1.00 42.55 H new ATOM 0 HD21 LEU A 100 1.631 1.270 1.989 1.00 32.41 H new ATOM 0 HD22 LEU A 100 2.802 0.592 3.144 1.00 32.41 H new ATOM 0 HD23 LEU A 100 1.249 -0.230 2.867 1.00 32.41 H new ATOM 1515 N ILE A 101 -1.401 0.079 6.692 1.00 61.45 N ATOM 1516 CA ILE A 101 -2.835 -0.232 6.609 1.00 5.51 C ATOM 1517 C ILE A 101 -3.620 0.635 7.595 1.00 61.02 C ATOM 1518 O ILE A 101 -4.675 1.166 7.247 1.00 13.11 O ATOM 1519 CB ILE A 101 -3.128 -1.748 6.882 1.00 74.43 C ATOM 1520 CG1 ILE A 101 -2.496 -2.652 5.802 1.00 74.03 C ATOM 1521 CG2 ILE A 101 -4.630 -2.030 7.000 1.00 71.21 C ATOM 1522 CD1 ILE A 101 -2.998 -2.410 4.387 1.00 53.43 C ATOM 0 H ILE A 101 -0.815 -0.717 6.944 1.00 61.45 H new ATOM 0 HA ILE A 101 -3.156 -0.013 5.591 1.00 5.51 H new ATOM 0 HB ILE A 101 -2.666 -1.985 7.841 1.00 74.43 H new ATOM 0 HG12 ILE A 101 -1.415 -2.510 5.817 1.00 74.03 H new ATOM 0 HG13 ILE A 101 -2.684 -3.693 6.065 1.00 74.03 H new ATOM 0 HG21 ILE A 101 -4.787 -3.092 7.189 1.00 71.21 H new ATOM 0 HG22 ILE A 101 -5.046 -1.449 7.824 1.00 71.21 H new ATOM 0 HG23 ILE A 101 -5.127 -1.749 6.071 1.00 71.21 H new ATOM 0 HD11 ILE A 101 -2.496 -3.092 3.701 1.00 53.43 H new ATOM 0 HD12 ILE A 101 -4.074 -2.583 4.348 1.00 53.43 H new ATOM 0 HD13 ILE A 101 -2.785 -1.381 4.096 1.00 53.43 H new ATOM 1534 N GLY A 102 -3.063 0.817 8.792 1.00 3.13 N ATOM 1535 CA GLY A 102 -3.689 1.653 9.811 1.00 33.34 C ATOM 1536 C GLY A 102 -3.860 3.083 9.348 1.00 35.14 C ATOM 1537 O GLY A 102 -4.881 3.718 9.589 1.00 75.04 O ATOM 0 H GLY A 102 -2.179 0.396 9.078 1.00 3.13 H new ATOM 0 HA2 GLY A 102 -4.663 1.238 10.072 1.00 33.34 H new ATOM 0 HA3 GLY A 102 -3.082 1.636 10.716 1.00 33.34 H new ATOM 1541 N ILE A 103 -2.871 3.570 8.662 1.00 4.00 N ATOM 1542 CA ILE A 103 -2.884 4.912 8.128 1.00 31.21 C ATOM 1543 C ILE A 103 -3.889 5.020 6.991 1.00 51.45 C ATOM 1544 O ILE A 103 -4.636 6.006 6.895 1.00 4.51 O ATOM 1545 CB ILE A 103 -1.476 5.294 7.637 1.00 1.14 C ATOM 1546 CG1 ILE A 103 -0.518 5.293 8.827 1.00 23.30 C ATOM 1547 CG2 ILE A 103 -1.477 6.651 6.919 1.00 45.34 C ATOM 1548 CD1 ILE A 103 0.928 5.309 8.446 1.00 41.22 C ATOM 0 H ILE A 103 -2.021 3.048 8.451 1.00 4.00 H new ATOM 0 HA ILE A 103 -3.182 5.603 8.917 1.00 31.21 H new ATOM 0 HB ILE A 103 -1.142 4.558 6.906 1.00 1.14 H new ATOM 0 HG12 ILE A 103 -0.728 6.162 9.450 1.00 23.30 H new ATOM 0 HG13 ILE A 103 -0.713 4.410 9.436 1.00 23.30 H new ATOM 0 HG21 ILE A 103 -0.466 6.887 6.587 1.00 45.34 H new ATOM 0 HG22 ILE A 103 -2.142 6.606 6.056 1.00 45.34 H new ATOM 0 HG23 ILE A 103 -1.824 7.425 7.604 1.00 45.34 H new ATOM 0 HD11 ILE A 103 1.542 5.307 9.347 1.00 41.22 H new ATOM 0 HD12 ILE A 103 1.157 4.426 7.849 1.00 41.22 H new ATOM 0 HD13 ILE A 103 1.141 6.205 7.864 1.00 41.22 H new ATOM 1560 N ILE A 104 -3.935 3.989 6.166 1.00 5.13 N ATOM 1561 CA ILE A 104 -4.819 3.970 5.029 1.00 35.43 C ATOM 1562 C ILE A 104 -6.259 3.970 5.507 1.00 52.54 C ATOM 1563 O ILE A 104 -7.037 4.839 5.128 1.00 62.23 O ATOM 1564 CB ILE A 104 -4.563 2.709 4.140 1.00 65.12 C ATOM 1565 CG1 ILE A 104 -3.134 2.730 3.588 1.00 53.13 C ATOM 1566 CG2 ILE A 104 -5.574 2.623 2.993 1.00 42.33 C ATOM 1567 CD1 ILE A 104 -2.727 1.459 2.865 1.00 4.42 C ATOM 0 H ILE A 104 -3.363 3.151 6.269 1.00 5.13 H new ATOM 0 HA ILE A 104 -4.627 4.859 4.428 1.00 35.43 H new ATOM 0 HB ILE A 104 -4.689 1.825 4.766 1.00 65.12 H new ATOM 0 HG12 ILE A 104 -3.033 3.572 2.903 1.00 53.13 H new ATOM 0 HG13 ILE A 104 -2.441 2.904 4.411 1.00 53.13 H new ATOM 0 HG21 ILE A 104 -5.369 1.736 2.393 1.00 42.33 H new ATOM 0 HG22 ILE A 104 -6.583 2.560 3.401 1.00 42.33 H new ATOM 0 HG23 ILE A 104 -5.490 3.511 2.367 1.00 42.33 H new ATOM 0 HD11 ILE A 104 -1.703 1.557 2.506 1.00 4.42 H new ATOM 0 HD12 ILE A 104 -2.792 0.614 3.550 1.00 4.42 H new ATOM 0 HD13 ILE A 104 -3.394 1.292 2.019 1.00 4.42 H new ATOM 1579 N GLU A 105 -6.573 3.068 6.415 1.00 31.32 N ATOM 1580 CA GLU A 105 -7.920 2.939 6.915 1.00 15.12 C ATOM 1581 C GLU A 105 -8.327 4.178 7.726 1.00 12.03 C ATOM 1582 O GLU A 105 -9.453 4.666 7.595 1.00 22.31 O ATOM 1583 CB GLU A 105 -8.090 1.627 7.705 1.00 2.41 C ATOM 1584 CG GLU A 105 -7.378 1.580 9.043 1.00 43.12 C ATOM 1585 CD GLU A 105 -8.364 1.650 10.181 1.00 54.34 C ATOM 1586 OE1 GLU A 105 -8.865 2.748 10.480 1.00 72.15 O ATOM 1587 OE2 GLU A 105 -8.729 0.598 10.729 1.00 72.14 O ATOM 0 H GLU A 105 -5.907 2.411 6.822 1.00 31.32 H new ATOM 0 HA GLU A 105 -8.602 2.884 6.067 1.00 15.12 H new ATOM 0 HB2 GLU A 105 -9.154 1.458 7.872 1.00 2.41 H new ATOM 0 HB3 GLU A 105 -7.729 0.803 7.090 1.00 2.41 H new ATOM 0 HG2 GLU A 105 -6.796 0.662 9.117 1.00 43.12 H new ATOM 0 HG3 GLU A 105 -6.675 2.410 9.114 1.00 43.12 H new ATOM 1594 N GLY A 106 -7.379 4.703 8.511 1.00 51.11 N ATOM 1595 CA GLY A 106 -7.613 5.863 9.343 1.00 71.24 C ATOM 1596 C GLY A 106 -7.953 7.089 8.540 1.00 73.40 C ATOM 1597 O GLY A 106 -8.888 7.818 8.872 1.00 53.24 O ATOM 0 H GLY A 106 -6.433 4.328 8.579 1.00 51.11 H new ATOM 0 HA2 GLY A 106 -8.426 5.650 10.037 1.00 71.24 H new ATOM 0 HA3 GLY A 106 -6.725 6.061 9.943 1.00 71.24 H new ATOM 1601 N ASN A 107 -7.226 7.299 7.461 1.00 14.41 N ATOM 1602 CA ASN A 107 -7.459 8.449 6.587 1.00 41.31 C ATOM 1603 C ASN A 107 -8.814 8.291 5.890 1.00 30.04 C ATOM 1604 O ASN A 107 -9.560 9.257 5.689 1.00 34.42 O ATOM 1605 CB ASN A 107 -6.311 8.572 5.574 1.00 4.54 C ATOM 1606 CG ASN A 107 -6.345 9.850 4.748 1.00 55.44 C ATOM 1607 OD1 ASN A 107 -5.711 9.821 3.604 1.00 64.21 O flip ATOM 1608 ND2 ASN A 107 -6.874 10.868 5.163 1.00 25.02 N flip ATOM 0 H ASN A 107 -6.464 6.690 7.161 1.00 14.41 H new ATOM 0 HA ASN A 107 -7.484 9.367 7.174 1.00 41.31 H new ATOM 0 HB2 ASN A 107 -5.362 8.523 6.109 1.00 4.54 H new ATOM 0 HB3 ASN A 107 -6.342 7.716 4.900 1.00 4.54 H new ATOM 0 HD21 ASN A 107 -7.362 10.861 6.059 1.00 25.02 H new ATOM 0 HD22 ASN A 107 -6.829 11.726 4.614 1.00 25.02 H new ATOM 1615 N ILE A 108 -9.144 7.047 5.581 1.00 54.24 N ATOM 1616 CA ILE A 108 -10.432 6.689 5.007 1.00 0.02 C ATOM 1617 C ILE A 108 -11.566 7.000 5.982 1.00 43.31 C ATOM 1618 O ILE A 108 -12.611 7.455 5.569 1.00 44.45 O ATOM 1619 CB ILE A 108 -10.489 5.206 4.553 1.00 24.03 C ATOM 1620 CG1 ILE A 108 -9.514 4.984 3.405 1.00 21.42 C ATOM 1621 CG2 ILE A 108 -11.903 4.816 4.120 1.00 21.24 C ATOM 1622 CD1 ILE A 108 -9.303 3.540 3.062 1.00 24.12 C ATOM 0 H ILE A 108 -8.521 6.252 5.722 1.00 54.24 H new ATOM 0 HA ILE A 108 -10.560 7.300 4.113 1.00 0.02 H new ATOM 0 HB ILE A 108 -10.208 4.577 5.398 1.00 24.03 H new ATOM 0 HG12 ILE A 108 -9.881 5.508 2.522 1.00 21.42 H new ATOM 0 HG13 ILE A 108 -8.554 5.430 3.664 1.00 21.42 H new ATOM 0 HG21 ILE A 108 -11.913 3.772 3.807 1.00 21.24 H new ATOM 0 HG22 ILE A 108 -12.590 4.951 4.956 1.00 21.24 H new ATOM 0 HG23 ILE A 108 -12.216 5.447 3.288 1.00 21.24 H new ATOM 0 HD11 ILE A 108 -8.596 3.462 2.236 1.00 24.12 H new ATOM 0 HD12 ILE A 108 -8.906 3.014 3.930 1.00 24.12 H new ATOM 0 HD13 ILE A 108 -10.253 3.093 2.770 1.00 24.12 H new ATOM 1634 N ARG A 109 -11.331 6.781 7.284 1.00 11.51 N ATOM 1635 CA ARG A 109 -12.365 7.004 8.312 1.00 31.43 C ATOM 1636 C ARG A 109 -12.851 8.449 8.236 1.00 35.14 C ATOM 1637 O ARG A 109 -14.045 8.702 8.267 1.00 40.45 O ATOM 1638 CB ARG A 109 -11.808 6.779 9.739 1.00 74.13 C ATOM 1639 CG ARG A 109 -11.168 5.422 10.024 1.00 2.32 C ATOM 1640 CD ARG A 109 -12.143 4.263 9.956 1.00 14.42 C ATOM 1641 NE ARG A 109 -11.482 3.000 10.318 1.00 25.31 N ATOM 1642 CZ ARG A 109 -12.078 1.840 10.604 1.00 31.42 C ATOM 1643 NH1 ARG A 109 -13.411 1.734 10.552 1.00 0.10 N ATOM 1644 NH2 ARG A 109 -11.342 0.785 10.920 1.00 31.34 N ATOM 0 H ARG A 109 -10.439 6.451 7.652 1.00 11.51 H new ATOM 0 HA ARG A 109 -13.172 6.297 8.122 1.00 31.43 H new ATOM 0 HB2 ARG A 109 -11.067 7.553 9.940 1.00 74.13 H new ATOM 0 HB3 ARG A 109 -12.622 6.926 10.448 1.00 74.13 H new ATOM 0 HG2 ARG A 109 -10.364 5.252 9.308 1.00 2.32 H new ATOM 0 HG3 ARG A 109 -10.713 5.445 11.014 1.00 2.32 H new ATOM 0 HD2 ARG A 109 -12.980 4.446 10.630 1.00 14.42 H new ATOM 0 HD3 ARG A 109 -12.555 4.187 8.950 1.00 14.42 H new ATOM 0 HE ARG A 109 -10.463 3.011 10.354 1.00 25.31 H new ATOM 0 HH11 ARG A 109 -13.977 2.542 10.293 1.00 0.10 H new ATOM 0 HH12 ARG A 109 -13.861 0.845 10.772 1.00 0.10 H new ATOM 0 HH21 ARG A 109 -10.325 0.861 10.944 1.00 31.34 H new ATOM 0 HH22 ARG A 109 -11.792 -0.104 11.139 1.00 31.34 H new ATOM 1658 N TYR A 110 -11.912 9.372 8.087 1.00 61.05 N ATOM 1659 CA TYR A 110 -12.231 10.793 7.987 1.00 4.53 C ATOM 1660 C TYR A 110 -12.885 11.128 6.651 1.00 14.32 C ATOM 1661 O TYR A 110 -13.826 11.910 6.591 1.00 63.53 O ATOM 1662 CB TYR A 110 -10.977 11.651 8.182 1.00 32.33 C ATOM 1663 CG TYR A 110 -10.375 11.559 9.563 1.00 21.02 C ATOM 1664 CD1 TYR A 110 -10.943 12.237 10.631 1.00 33.25 C ATOM 1665 CD2 TYR A 110 -9.243 10.795 9.800 1.00 62.44 C ATOM 1666 CE1 TYR A 110 -10.402 12.157 11.896 1.00 33.12 C ATOM 1667 CE2 TYR A 110 -8.694 10.708 11.063 1.00 62.32 C ATOM 1668 CZ TYR A 110 -9.277 11.390 12.107 1.00 15.34 C ATOM 1669 OH TYR A 110 -8.733 11.308 13.365 1.00 13.33 O ATOM 0 H TYR A 110 -10.915 9.162 8.032 1.00 61.05 H new ATOM 0 HA TYR A 110 -12.942 11.019 8.782 1.00 4.53 H new ATOM 0 HB2 TYR A 110 -10.227 11.351 7.450 1.00 32.33 H new ATOM 0 HB3 TYR A 110 -11.226 12.692 7.975 1.00 32.33 H new ATOM 0 HD1 TYR A 110 -11.825 12.839 10.469 1.00 33.25 H new ATOM 0 HD2 TYR A 110 -8.783 10.259 8.983 1.00 62.44 H new ATOM 0 HE1 TYR A 110 -10.857 12.692 12.717 1.00 33.12 H new ATOM 0 HE2 TYR A 110 -7.812 10.108 11.231 1.00 62.32 H new ATOM 0 HH TYR A 110 -7.944 10.727 13.343 1.00 13.33 H new ATOM 1679 N ALA A 111 -12.366 10.558 5.590 1.00 54.00 N ATOM 1680 CA ALA A 111 -12.891 10.801 4.252 1.00 22.33 C ATOM 1681 C ALA A 111 -14.306 10.236 4.070 1.00 13.10 C ATOM 1682 O ALA A 111 -15.135 10.823 3.386 1.00 24.54 O ATOM 1683 CB ALA A 111 -11.949 10.223 3.204 1.00 10.14 C ATOM 0 H ALA A 111 -11.574 9.916 5.620 1.00 54.00 H new ATOM 0 HA ALA A 111 -12.958 11.881 4.121 1.00 22.33 H new ATOM 0 HB1 ALA A 111 -12.352 10.411 2.209 1.00 10.14 H new ATOM 0 HB2 ALA A 111 -10.971 10.695 3.294 1.00 10.14 H new ATOM 0 HB3 ALA A 111 -11.849 9.149 3.358 1.00 10.14 H new ATOM 1689 N ASN A 112 -14.553 9.094 4.677 1.00 44.50 N ATOM 1690 CA ASN A 112 -15.813 8.371 4.521 1.00 71.22 C ATOM 1691 C ASN A 112 -16.940 8.985 5.348 1.00 22.04 C ATOM 1692 O ASN A 112 -18.102 8.923 4.962 1.00 43.43 O ATOM 1693 CB ASN A 112 -15.623 6.884 4.892 1.00 5.22 C ATOM 1694 CG ASN A 112 -16.805 5.991 4.522 1.00 63.12 C ATOM 1695 OD1 ASN A 112 -16.857 5.443 3.427 1.00 22.13 O ATOM 1696 ND2 ASN A 112 -17.740 5.811 5.430 1.00 51.44 N ATOM 0 H ASN A 112 -13.887 8.633 5.297 1.00 44.50 H new ATOM 0 HA ASN A 112 -16.104 8.449 3.474 1.00 71.22 H new ATOM 0 HB2 ASN A 112 -14.729 6.508 4.395 1.00 5.22 H new ATOM 0 HB3 ASN A 112 -15.447 6.808 5.965 1.00 5.22 H new ATOM 0 HD21 ASN A 112 -18.534 5.202 5.231 1.00 51.44 H new ATOM 0 HD22 ASN A 112 -17.671 6.280 6.333 1.00 51.44 H new