USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 539 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 45 TYR OH : rot -130:sc= -0.412 USER MOD Set 1.2: A 48 THR OG1 : rot 81:sc= 0.843 USER MOD Set 2.1: A 9 TYR OH : rot 156:sc= 1.73 USER MOD Set 2.2: A 35 TYR OH : rot 110:sc= 0.439 USER MOD Set 2.3: A 38 THR OG1 : rot -52:sc= 0.486 USER MOD Set 3.1: A 6 THR OG1 : rot -100:sc= 0.368 USER MOD Set 3.2: A 71 ASN : amide:sc= -1.93! K(o=-1.6!,f=-0.036) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 14 LYS NZ :NH3+ -131:sc= 0.566 (180deg=0.0711) USER MOD Single : A 18 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.8) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.0988 (180deg=0.00881) USER MOD Single : A 29 THR OG1 : rot 46:sc= 0.0321 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.00745 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0278) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.236 K(o=0.42,f=-2.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -4.294 20.874 0.977 1.00 73.33 N ATOM 21 CA ASP A 2 -4.710 19.649 0.257 1.00 45.30 C ATOM 22 C ASP A 2 -3.949 18.439 0.828 1.00 44.23 C ATOM 23 O ASP A 2 -2.757 18.536 1.146 1.00 53.44 O ATOM 24 CB ASP A 2 -4.460 19.794 -1.255 1.00 13.23 C ATOM 25 CG ASP A 2 -5.287 20.944 -1.850 1.00 42.02 C ATOM 26 OD1 ASP A 2 -6.536 20.834 -1.870 1.00 52.32 O ATOM 27 OD2 ASP A 2 -4.708 21.965 -2.274 1.00 21.21 O ATOM 0 HA ASP A 2 -5.780 19.494 0.400 1.00 45.30 H new ATOM 0 HB2 ASP A 2 -3.400 19.974 -1.435 1.00 13.23 H new ATOM 0 HB3 ASP A 2 -4.715 18.862 -1.759 1.00 13.23 H new ATOM 32 N GLU A 3 -4.642 17.303 0.951 1.00 14.15 N ATOM 33 CA GLU A 3 -4.153 16.133 1.711 1.00 23.54 C ATOM 34 C GLU A 3 -3.572 15.057 0.769 1.00 70.11 C ATOM 35 O GLU A 3 -4.126 14.794 -0.298 1.00 54.44 O ATOM 36 CB GLU A 3 -5.321 15.535 2.545 1.00 14.41 C ATOM 37 CG GLU A 3 -5.841 16.414 3.711 1.00 14.11 C ATOM 38 CD GLU A 3 -6.453 17.761 3.289 1.00 73.53 C ATOM 39 OE1 GLU A 3 -7.370 17.770 2.433 1.00 24.40 O ATOM 40 OE2 GLU A 3 -6.037 18.812 3.823 1.00 65.41 O ATOM 0 H GLU A 3 -5.560 17.162 0.529 1.00 14.15 H new ATOM 0 HA GLU A 3 -3.355 16.461 2.376 1.00 23.54 H new ATOM 0 HB2 GLU A 3 -6.153 15.329 1.872 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -4.997 14.578 2.954 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -6.591 15.849 4.265 1.00 14.11 H new ATOM 0 HG3 GLU A 3 -5.016 16.606 4.397 1.00 14.11 H new ATOM 47 N ASP A 4 -2.459 14.428 1.186 1.00 2.50 N ATOM 48 CA ASP A 4 -1.839 13.312 0.445 1.00 5.21 C ATOM 49 C ASP A 4 -1.693 12.064 1.342 1.00 55.41 C ATOM 50 O ASP A 4 -1.767 12.145 2.576 1.00 52.42 O ATOM 51 CB ASP A 4 -0.468 13.739 -0.151 1.00 53.12 C ATOM 52 CG ASP A 4 0.605 14.046 0.908 1.00 2.45 C ATOM 53 OD1 ASP A 4 0.668 15.193 1.391 1.00 44.23 O ATOM 54 OD2 ASP A 4 1.397 13.138 1.256 1.00 73.11 O ATOM 0 H ASP A 4 -1.964 14.677 2.043 1.00 2.50 H new ATOM 0 HA ASP A 4 -2.497 13.049 -0.383 1.00 5.21 H new ATOM 0 HB2 ASP A 4 -0.104 12.945 -0.803 1.00 53.12 H new ATOM 0 HB3 ASP A 4 -0.613 14.622 -0.773 1.00 53.12 H new ATOM 59 N ALA A 5 -1.489 10.911 0.697 1.00 40.53 N ATOM 60 CA ALA A 5 -1.252 9.624 1.372 1.00 50.41 C ATOM 61 C ALA A 5 -0.088 8.881 0.680 1.00 30.43 C ATOM 62 O ALA A 5 -0.040 8.793 -0.556 1.00 31.31 O ATOM 63 CB ALA A 5 -2.534 8.782 1.363 1.00 13.41 C ATOM 0 H ALA A 5 -1.483 10.841 -0.321 1.00 40.53 H new ATOM 0 HA ALA A 5 -0.975 9.802 2.411 1.00 50.41 H new ATOM 0 HB1 ALA A 5 -2.349 7.832 1.864 1.00 13.41 H new ATOM 0 HB2 ALA A 5 -3.326 9.319 1.885 1.00 13.41 H new ATOM 0 HB3 ALA A 5 -2.839 8.595 0.333 1.00 13.41 H new ATOM 69 N THR A 6 0.849 8.351 1.484 1.00 74.43 N ATOM 70 CA THR A 6 2.092 7.729 0.982 1.00 50.24 C ATOM 71 C THR A 6 1.967 6.188 0.967 1.00 50.33 C ATOM 72 O THR A 6 1.630 5.574 1.977 1.00 53.33 O ATOM 73 CB THR A 6 3.315 8.160 1.859 1.00 31.22 C ATOM 74 OG1 THR A 6 3.146 7.707 3.214 1.00 12.30 O ATOM 75 CG2 THR A 6 3.504 9.691 1.846 1.00 50.44 C ATOM 0 H THR A 6 0.769 8.340 2.501 1.00 74.43 H new ATOM 0 HA THR A 6 2.253 8.074 -0.039 1.00 50.24 H new ATOM 0 HB THR A 6 4.205 7.699 1.431 1.00 31.22 H new ATOM 0 HG1 THR A 6 2.827 8.449 3.770 1.00 12.30 H new ATOM 0 HG21 THR A 6 4.361 9.957 2.464 1.00 50.44 H new ATOM 0 HG22 THR A 6 3.676 10.028 0.824 1.00 50.44 H new ATOM 0 HG23 THR A 6 2.609 10.171 2.241 1.00 50.44 H new ATOM 83 N ILE A 7 2.232 5.577 -0.205 1.00 34.14 N ATOM 84 CA ILE A 7 2.098 4.116 -0.426 1.00 22.02 C ATOM 85 C ILE A 7 3.501 3.471 -0.509 1.00 61.41 C ATOM 86 O ILE A 7 4.175 3.553 -1.542 1.00 23.40 O ATOM 87 CB ILE A 7 1.302 3.812 -1.753 1.00 60.24 C ATOM 88 CG1 ILE A 7 -0.015 4.653 -1.824 1.00 63.34 C ATOM 89 CG2 ILE A 7 1.001 2.295 -1.884 1.00 50.22 C ATOM 90 CD1 ILE A 7 -0.679 4.677 -3.191 1.00 55.11 C ATOM 0 H ILE A 7 2.547 6.083 -1.032 1.00 34.14 H new ATOM 0 HA ILE A 7 1.544 3.695 0.413 1.00 22.02 H new ATOM 0 HB ILE A 7 1.930 4.104 -2.595 1.00 60.24 H new ATOM 0 HG12 ILE A 7 -0.724 4.255 -1.098 1.00 63.34 H new ATOM 0 HG13 ILE A 7 0.207 5.677 -1.525 1.00 63.34 H new ATOM 0 HG21 ILE A 7 0.451 2.112 -2.807 1.00 50.22 H new ATOM 0 HG22 ILE A 7 1.938 1.738 -1.903 1.00 50.22 H new ATOM 0 HG23 ILE A 7 0.402 1.968 -1.034 1.00 50.22 H new ATOM 0 HD11 ILE A 7 -1.584 5.283 -3.145 1.00 55.11 H new ATOM 0 HD12 ILE A 7 0.008 5.104 -3.922 1.00 55.11 H new ATOM 0 HD13 ILE A 7 -0.938 3.661 -3.488 1.00 55.11 H new ATOM 102 N THR A 8 3.936 2.836 0.578 1.00 10.23 N ATOM 103 CA THR A 8 5.293 2.271 0.698 1.00 5.04 C ATOM 104 C THR A 8 5.230 0.731 0.694 1.00 73.31 C ATOM 105 O THR A 8 4.701 0.123 1.636 1.00 32.14 O ATOM 106 CB THR A 8 5.992 2.762 2.015 1.00 71.52 C ATOM 107 OG1 THR A 8 5.938 4.196 2.088 1.00 63.32 O ATOM 108 CG2 THR A 8 7.467 2.305 2.103 1.00 22.15 C ATOM 0 H THR A 8 3.360 2.695 1.408 1.00 10.23 H new ATOM 0 HA THR A 8 5.877 2.614 -0.156 1.00 5.04 H new ATOM 0 HB THR A 8 5.454 2.316 2.851 1.00 71.52 H new ATOM 0 HG1 THR A 8 6.374 4.498 2.912 1.00 63.32 H new ATOM 0 HG21 THR A 8 7.906 2.670 3.032 1.00 22.15 H new ATOM 0 HG22 THR A 8 7.512 1.216 2.083 1.00 22.15 H new ATOM 0 HG23 THR A 8 8.024 2.707 1.256 1.00 22.15 H new ATOM 116 N TYR A 9 5.741 0.108 -0.382 1.00 34.42 N ATOM 117 CA TYR A 9 5.962 -1.350 -0.419 1.00 63.52 C ATOM 118 C TYR A 9 7.176 -1.709 0.467 1.00 15.11 C ATOM 119 O TYR A 9 8.228 -1.073 0.372 1.00 3.54 O ATOM 120 CB TYR A 9 6.197 -1.846 -1.871 1.00 12.35 C ATOM 121 CG TYR A 9 4.945 -1.792 -2.767 1.00 32.10 C ATOM 122 CD1 TYR A 9 4.015 -2.839 -2.762 1.00 62.12 C ATOM 123 CD2 TYR A 9 4.694 -0.710 -3.622 1.00 41.13 C ATOM 124 CE1 TYR A 9 2.891 -2.807 -3.564 1.00 60.11 C ATOM 125 CE2 TYR A 9 3.567 -0.677 -4.421 1.00 51.11 C ATOM 126 CZ TYR A 9 2.673 -1.727 -4.392 1.00 3.42 C ATOM 127 OH TYR A 9 1.560 -1.699 -5.200 1.00 42.22 O ATOM 0 H TYR A 9 6.009 0.591 -1.239 1.00 34.42 H new ATOM 0 HA TYR A 9 5.069 -1.845 -0.037 1.00 63.52 H new ATOM 0 HB2 TYR A 9 6.982 -1.243 -2.326 1.00 12.35 H new ATOM 0 HB3 TYR A 9 6.562 -2.872 -1.838 1.00 12.35 H new ATOM 0 HD1 TYR A 9 4.180 -3.690 -2.117 1.00 62.12 H new ATOM 0 HD2 TYR A 9 5.394 0.112 -3.657 1.00 41.13 H new ATOM 0 HE1 TYR A 9 2.186 -3.625 -3.542 1.00 60.11 H new ATOM 0 HE2 TYR A 9 3.387 0.169 -5.067 1.00 51.11 H new ATOM 0 HH TYR A 9 1.341 -0.770 -5.423 1.00 42.22 H new ATOM 137 N VAL A 10 6.997 -2.696 1.352 1.00 11.13 N ATOM 138 CA VAL A 10 8.055 -3.207 2.243 1.00 33.54 C ATOM 139 C VAL A 10 8.098 -4.743 2.169 1.00 20.32 C ATOM 140 O VAL A 10 7.072 -5.397 1.936 1.00 53.20 O ATOM 141 CB VAL A 10 7.863 -2.753 3.747 1.00 43.13 C ATOM 142 CG1 VAL A 10 7.929 -1.212 3.892 1.00 44.42 C ATOM 143 CG2 VAL A 10 6.554 -3.319 4.362 1.00 63.22 C ATOM 0 H VAL A 10 6.103 -3.171 1.474 1.00 11.13 H new ATOM 0 HA VAL A 10 8.997 -2.783 1.897 1.00 33.54 H new ATOM 0 HB VAL A 10 8.695 -3.174 4.312 1.00 43.13 H new ATOM 0 HG11 VAL A 10 7.793 -0.939 4.938 1.00 44.42 H new ATOM 0 HG12 VAL A 10 8.900 -0.855 3.547 1.00 44.42 H new ATOM 0 HG13 VAL A 10 7.141 -0.756 3.293 1.00 44.42 H new ATOM 0 HG21 VAL A 10 6.462 -2.983 5.395 1.00 63.22 H new ATOM 0 HG22 VAL A 10 5.699 -2.964 3.787 1.00 63.22 H new ATOM 0 HG23 VAL A 10 6.581 -4.408 4.336 1.00 63.22 H new ATOM 153 N ASP A 11 9.292 -5.310 2.359 1.00 63.40 N ATOM 154 CA ASP A 11 9.498 -6.756 2.336 1.00 52.25 C ATOM 155 C ASP A 11 9.342 -7.320 3.758 1.00 1.22 C ATOM 156 O ASP A 11 10.210 -7.131 4.621 1.00 21.11 O ATOM 157 CB ASP A 11 10.883 -7.105 1.738 1.00 5.34 C ATOM 158 CG ASP A 11 11.118 -8.621 1.625 1.00 23.44 C ATOM 159 OD1 ASP A 11 10.254 -9.330 1.078 1.00 1.41 O ATOM 160 OD2 ASP A 11 12.177 -9.106 2.055 1.00 70.30 O ATOM 0 H ASP A 11 10.143 -4.776 2.533 1.00 63.40 H new ATOM 0 HA ASP A 11 8.745 -7.215 1.696 1.00 52.25 H new ATOM 0 HB2 ASP A 11 10.971 -6.654 0.750 1.00 5.34 H new ATOM 0 HB3 ASP A 11 11.663 -6.666 2.360 1.00 5.34 H new ATOM 165 N ASP A 12 8.204 -7.979 3.976 1.00 1.11 N ATOM 166 CA ASP A 12 7.851 -8.666 5.222 1.00 1.00 C ATOM 167 C ASP A 12 8.865 -9.793 5.569 1.00 11.22 C ATOM 168 O ASP A 12 9.077 -10.109 6.748 1.00 2.31 O ATOM 169 CB ASP A 12 6.415 -9.219 5.061 1.00 13.45 C ATOM 170 CG ASP A 12 5.793 -9.706 6.369 1.00 53.44 C ATOM 171 OD1 ASP A 12 5.269 -8.864 7.131 1.00 62.12 O ATOM 172 OD2 ASP A 12 5.829 -10.925 6.649 1.00 11.21 O ATOM 0 H ASP A 12 7.476 -8.053 3.266 1.00 1.11 H new ATOM 0 HA ASP A 12 7.891 -7.966 6.056 1.00 1.00 H new ATOM 0 HB2 ASP A 12 5.781 -8.441 4.635 1.00 13.45 H new ATOM 0 HB3 ASP A 12 6.431 -10.043 4.348 1.00 13.45 H new ATOM 177 N ASP A 13 9.518 -10.366 4.533 1.00 55.33 N ATOM 178 CA ASP A 13 10.573 -11.401 4.704 1.00 33.32 C ATOM 179 C ASP A 13 11.888 -10.793 5.290 1.00 3.45 C ATOM 180 O ASP A 13 12.763 -11.521 5.780 1.00 12.30 O ATOM 181 CB ASP A 13 10.839 -12.092 3.341 1.00 41.15 C ATOM 182 CG ASP A 13 11.793 -13.299 3.432 1.00 74.42 C ATOM 183 OD1 ASP A 13 11.340 -14.387 3.839 1.00 43.03 O ATOM 184 OD2 ASP A 13 13.001 -13.159 3.119 1.00 2.23 O ATOM 0 H ASP A 13 9.333 -10.128 3.558 1.00 55.33 H new ATOM 0 HA ASP A 13 10.221 -12.142 5.421 1.00 33.32 H new ATOM 0 HB2 ASP A 13 9.889 -12.422 2.920 1.00 41.15 H new ATOM 0 HB3 ASP A 13 11.258 -11.361 2.649 1.00 41.15 H new ATOM 189 N LYS A 14 12.016 -9.453 5.246 1.00 44.43 N ATOM 190 CA LYS A 14 13.180 -8.715 5.809 1.00 61.41 C ATOM 191 C LYS A 14 12.736 -7.789 6.976 1.00 42.33 C ATOM 192 O LYS A 14 13.485 -6.887 7.377 1.00 4.00 O ATOM 193 CB LYS A 14 13.905 -7.895 4.676 1.00 51.03 C ATOM 194 CG LYS A 14 15.432 -8.210 4.499 1.00 3.41 C ATOM 195 CD LYS A 14 15.784 -8.965 3.186 1.00 4.35 C ATOM 196 CE LYS A 14 15.048 -10.310 3.026 1.00 54.35 C ATOM 197 NZ LYS A 14 15.296 -11.244 4.147 1.00 13.21 N ATOM 0 H LYS A 14 11.318 -8.844 4.820 1.00 44.43 H new ATOM 0 HA LYS A 14 13.888 -9.438 6.213 1.00 61.41 H new ATOM 0 HB2 LYS A 14 13.399 -8.086 3.730 1.00 51.03 H new ATOM 0 HB3 LYS A 14 13.792 -6.832 4.889 1.00 51.03 H new ATOM 0 HG2 LYS A 14 15.989 -7.274 4.526 1.00 3.41 H new ATOM 0 HG3 LYS A 14 15.768 -8.806 5.348 1.00 3.41 H new ATOM 0 HD2 LYS A 14 15.544 -8.327 2.335 1.00 4.35 H new ATOM 0 HD3 LYS A 14 16.859 -9.144 3.158 1.00 4.35 H new ATOM 0 HE2 LYS A 14 13.977 -10.124 2.946 1.00 54.35 H new ATOM 0 HE3 LYS A 14 15.361 -10.780 2.093 1.00 54.35 H new ATOM 0 HZ1 LYS A 14 15.559 -12.177 3.770 1.00 13.21 H new ATOM 0 HZ2 LYS A 14 16.070 -10.879 4.738 1.00 13.21 H new ATOM 0 HZ3 LYS A 14 14.434 -11.333 4.722 1.00 13.21 H new ATOM 211 N GLY A 15 11.532 -8.046 7.525 1.00 1.45 N ATOM 212 CA GLY A 15 10.963 -7.249 8.634 1.00 1.54 C ATOM 213 C GLY A 15 10.608 -5.788 8.288 1.00 32.11 C ATOM 214 O GLY A 15 10.456 -4.961 9.192 1.00 41.35 O ATOM 0 H GLY A 15 10.928 -8.807 7.215 1.00 1.45 H new ATOM 0 HA2 GLY A 15 10.063 -7.748 8.992 1.00 1.54 H new ATOM 0 HA3 GLY A 15 11.676 -7.246 9.459 1.00 1.54 H new ATOM 218 N GLY A 16 10.474 -5.472 6.986 1.00 13.05 N ATOM 219 CA GLY A 16 10.086 -4.119 6.527 1.00 31.12 C ATOM 220 C GLY A 16 11.178 -3.384 5.737 1.00 34.30 C ATOM 221 O GLY A 16 11.501 -2.225 6.035 1.00 11.25 O ATOM 0 H GLY A 16 10.629 -6.137 6.228 1.00 13.05 H new ATOM 0 HA2 GLY A 16 9.195 -4.201 5.904 1.00 31.12 H new ATOM 0 HA3 GLY A 16 9.814 -3.518 7.394 1.00 31.12 H new ATOM 225 N ALA A 17 11.740 -4.053 4.709 1.00 30.52 N ATOM 226 CA ALA A 17 12.752 -3.446 3.802 1.00 23.44 C ATOM 227 C ALA A 17 12.076 -2.860 2.537 1.00 10.31 C ATOM 228 O ALA A 17 11.431 -3.596 1.797 1.00 65.32 O ATOM 229 CB ALA A 17 13.802 -4.496 3.413 1.00 2.45 C ATOM 0 H ALA A 17 11.512 -5.021 4.481 1.00 30.52 H new ATOM 0 HA ALA A 17 13.246 -2.630 4.329 1.00 23.44 H new ATOM 0 HB1 ALA A 17 14.539 -4.045 2.749 1.00 2.45 H new ATOM 0 HB2 ALA A 17 14.299 -4.864 4.311 1.00 2.45 H new ATOM 0 HB3 ALA A 17 13.314 -5.326 2.902 1.00 2.45 H new ATOM 235 N GLN A 18 12.270 -1.552 2.279 1.00 23.52 N ATOM 236 CA GLN A 18 11.550 -0.824 1.205 1.00 22.51 C ATOM 237 C GLN A 18 11.826 -1.424 -0.203 1.00 54.32 C ATOM 238 O GLN A 18 12.974 -1.500 -0.651 1.00 23.41 O ATOM 239 CB GLN A 18 11.931 0.679 1.232 1.00 61.11 C ATOM 240 CG GLN A 18 11.150 1.566 0.231 1.00 21.14 C ATOM 241 CD GLN A 18 11.609 3.027 0.229 1.00 71.42 C ATOM 242 OE1 GLN A 18 12.773 3.330 0.474 1.00 62.31 O ATOM 243 NE2 GLN A 18 10.697 3.951 -0.025 1.00 14.32 N ATOM 0 H GLN A 18 12.924 -0.970 2.802 1.00 23.52 H new ATOM 0 HA GLN A 18 10.483 -0.933 1.398 1.00 22.51 H new ATOM 0 HB2 GLN A 18 11.768 1.062 2.239 1.00 61.11 H new ATOM 0 HB3 GLN A 18 12.997 0.773 1.024 1.00 61.11 H new ATOM 0 HG2 GLN A 18 11.263 1.156 -0.772 1.00 21.14 H new ATOM 0 HG3 GLN A 18 10.088 1.527 0.473 1.00 21.14 H new ATOM 0 HE21 GLN A 18 9.735 3.677 -0.226 1.00 14.32 H new ATOM 0 HE22 GLN A 18 10.955 4.938 -0.020 1.00 14.32 H new ATOM 252 N VAL A 19 10.747 -1.845 -0.877 1.00 71.42 N ATOM 253 CA VAL A 19 10.795 -2.447 -2.222 1.00 3.13 C ATOM 254 C VAL A 19 10.533 -1.346 -3.283 1.00 73.52 C ATOM 255 O VAL A 19 9.394 -0.876 -3.435 1.00 13.23 O ATOM 256 CB VAL A 19 9.733 -3.615 -2.349 1.00 44.23 C ATOM 257 CG1 VAL A 19 9.780 -4.282 -3.742 1.00 44.14 C ATOM 258 CG2 VAL A 19 9.922 -4.666 -1.225 1.00 32.11 C ATOM 0 H VAL A 19 9.802 -1.777 -0.500 1.00 71.42 H new ATOM 0 HA VAL A 19 11.782 -2.878 -2.390 1.00 3.13 H new ATOM 0 HB VAL A 19 8.745 -3.168 -2.233 1.00 44.23 H new ATOM 0 HG11 VAL A 19 9.037 -5.078 -3.790 1.00 44.14 H new ATOM 0 HG12 VAL A 19 9.564 -3.538 -4.509 1.00 44.14 H new ATOM 0 HG13 VAL A 19 10.772 -4.701 -3.911 1.00 44.14 H new ATOM 0 HG21 VAL A 19 9.179 -5.456 -1.337 1.00 32.11 H new ATOM 0 HG22 VAL A 19 10.922 -5.095 -1.293 1.00 32.11 H new ATOM 0 HG23 VAL A 19 9.798 -4.187 -0.254 1.00 32.11 H new ATOM 268 N GLY A 20 11.599 -0.930 -3.991 1.00 32.21 N ATOM 269 CA GLY A 20 11.527 0.200 -4.931 1.00 15.21 C ATOM 270 C GLY A 20 11.540 1.559 -4.211 1.00 52.43 C ATOM 271 O GLY A 20 12.593 1.989 -3.725 1.00 74.40 O ATOM 0 H GLY A 20 12.521 -1.361 -3.929 1.00 32.21 H new ATOM 0 HA2 GLY A 20 12.368 0.149 -5.622 1.00 15.21 H new ATOM 0 HA3 GLY A 20 10.619 0.116 -5.528 1.00 15.21 H new ATOM 275 N ASP A 21 10.366 2.220 -4.133 1.00 70.50 N ATOM 276 CA ASP A 21 10.212 3.530 -3.447 1.00 11.02 C ATOM 277 C ASP A 21 8.721 3.841 -3.133 1.00 42.14 C ATOM 278 O ASP A 21 7.827 3.028 -3.404 1.00 63.13 O ATOM 279 CB ASP A 21 10.875 4.678 -4.274 1.00 22.31 C ATOM 280 CG ASP A 21 10.238 4.886 -5.659 1.00 52.32 C ATOM 281 OD1 ASP A 21 10.559 4.125 -6.594 1.00 33.41 O ATOM 282 OD2 ASP A 21 9.420 5.816 -5.820 1.00 73.11 O ATOM 0 H ASP A 21 9.500 1.867 -4.540 1.00 70.50 H new ATOM 0 HA ASP A 21 10.734 3.465 -2.492 1.00 11.02 H new ATOM 0 HB2 ASP A 21 10.807 5.608 -3.709 1.00 22.31 H new ATOM 0 HB3 ASP A 21 11.935 4.458 -4.400 1.00 22.31 H new ATOM 287 N ILE A 22 8.476 5.032 -2.549 1.00 45.40 N ATOM 288 CA ILE A 22 7.130 5.478 -2.107 1.00 41.30 C ATOM 289 C ILE A 22 6.288 6.039 -3.291 1.00 23.04 C ATOM 290 O ILE A 22 6.817 6.721 -4.170 1.00 11.14 O ATOM 291 CB ILE A 22 7.264 6.580 -0.982 1.00 23.11 C ATOM 292 CG1 ILE A 22 8.112 6.040 0.222 1.00 64.14 C ATOM 293 CG2 ILE A 22 5.873 7.070 -0.500 1.00 32.31 C ATOM 294 CD1 ILE A 22 8.361 7.042 1.342 1.00 53.32 C ATOM 0 H ILE A 22 9.208 5.719 -2.368 1.00 45.40 H new ATOM 0 HA ILE A 22 6.611 4.606 -1.709 1.00 41.30 H new ATOM 0 HB ILE A 22 7.783 7.435 -1.414 1.00 23.11 H new ATOM 0 HG12 ILE A 22 7.606 5.170 0.641 1.00 64.14 H new ATOM 0 HG13 ILE A 22 9.075 5.697 -0.157 1.00 64.14 H new ATOM 0 HG21 ILE A 22 6.002 7.827 0.273 1.00 32.31 H new ATOM 0 HG22 ILE A 22 5.327 7.499 -1.340 1.00 32.31 H new ATOM 0 HG23 ILE A 22 5.311 6.229 -0.094 1.00 32.31 H new ATOM 0 HD11 ILE A 22 8.955 6.572 2.125 1.00 53.32 H new ATOM 0 HD12 ILE A 22 8.899 7.904 0.946 1.00 53.32 H new ATOM 0 HD13 ILE A 22 7.407 7.369 1.757 1.00 53.32 H new ATOM 306 N VAL A 23 4.977 5.729 -3.307 1.00 30.11 N ATOM 307 CA VAL A 23 4.007 6.314 -4.258 1.00 44.21 C ATOM 308 C VAL A 23 3.115 7.335 -3.503 1.00 31.00 C ATOM 309 O VAL A 23 2.185 6.949 -2.789 1.00 23.34 O ATOM 310 CB VAL A 23 3.090 5.200 -4.907 1.00 1.00 C ATOM 311 CG1 VAL A 23 2.169 5.784 -6.006 1.00 65.21 C ATOM 312 CG2 VAL A 23 3.924 4.010 -5.437 1.00 63.10 C ATOM 0 H VAL A 23 4.558 5.063 -2.658 1.00 30.11 H new ATOM 0 HA VAL A 23 4.561 6.805 -5.058 1.00 44.21 H new ATOM 0 HB VAL A 23 2.445 4.816 -4.117 1.00 1.00 H new ATOM 0 HG11 VAL A 23 1.555 4.988 -6.427 1.00 65.21 H new ATOM 0 HG12 VAL A 23 1.524 6.548 -5.572 1.00 65.21 H new ATOM 0 HG13 VAL A 23 2.778 6.228 -6.793 1.00 65.21 H new ATOM 0 HG21 VAL A 23 3.259 3.266 -5.875 1.00 63.10 H new ATOM 0 HG22 VAL A 23 4.622 4.364 -6.196 1.00 63.10 H new ATOM 0 HG23 VAL A 23 4.480 3.560 -4.614 1.00 63.10 H new ATOM 322 N THR A 24 3.416 8.633 -3.635 1.00 3.13 N ATOM 323 CA THR A 24 2.600 9.701 -3.010 1.00 11.33 C ATOM 324 C THR A 24 1.434 10.079 -3.938 1.00 73.05 C ATOM 325 O THR A 24 1.660 10.577 -5.049 1.00 22.23 O ATOM 326 CB THR A 24 3.432 10.990 -2.709 1.00 50.35 C ATOM 327 OG1 THR A 24 4.605 10.650 -1.944 1.00 4.04 O ATOM 328 CG2 THR A 24 2.604 12.051 -1.947 1.00 35.14 C ATOM 0 H THR A 24 4.216 8.976 -4.167 1.00 3.13 H new ATOM 0 HA THR A 24 2.232 9.304 -2.064 1.00 11.33 H new ATOM 0 HB THR A 24 3.724 11.421 -3.666 1.00 50.35 H new ATOM 0 HG1 THR A 24 5.122 11.462 -1.760 1.00 4.04 H new ATOM 0 HG21 THR A 24 3.222 12.929 -1.759 1.00 35.14 H new ATOM 0 HG22 THR A 24 1.740 12.337 -2.546 1.00 35.14 H new ATOM 0 HG23 THR A 24 2.266 11.636 -0.998 1.00 35.14 H new ATOM 336 N VAL A 25 0.198 9.822 -3.501 1.00 40.12 N ATOM 337 CA VAL A 25 -1.015 10.271 -4.222 1.00 22.42 C ATOM 338 C VAL A 25 -1.650 11.482 -3.493 1.00 2.23 C ATOM 339 O VAL A 25 -1.699 11.515 -2.263 1.00 34.12 O ATOM 340 CB VAL A 25 -2.067 9.097 -4.386 1.00 5.41 C ATOM 341 CG1 VAL A 25 -1.509 7.967 -5.294 1.00 1.41 C ATOM 342 CG2 VAL A 25 -2.515 8.526 -3.011 1.00 60.41 C ATOM 0 H VAL A 25 0.002 9.302 -2.646 1.00 40.12 H new ATOM 0 HA VAL A 25 -0.716 10.579 -5.224 1.00 22.42 H new ATOM 0 HB VAL A 25 -2.947 9.521 -4.869 1.00 5.41 H new ATOM 0 HG11 VAL A 25 -2.252 7.175 -5.388 1.00 1.41 H new ATOM 0 HG12 VAL A 25 -1.283 8.371 -6.281 1.00 1.41 H new ATOM 0 HG13 VAL A 25 -0.600 7.560 -4.851 1.00 1.41 H new ATOM 0 HG21 VAL A 25 -3.236 7.724 -3.168 1.00 60.41 H new ATOM 0 HG22 VAL A 25 -1.647 8.136 -2.479 1.00 60.41 H new ATOM 0 HG23 VAL A 25 -2.976 9.318 -2.421 1.00 60.41 H new ATOM 352 N THR A 26 -2.127 12.481 -4.261 1.00 52.13 N ATOM 353 CA THR A 26 -2.746 13.710 -3.696 1.00 52.32 C ATOM 354 C THR A 26 -4.254 13.760 -4.001 1.00 30.31 C ATOM 355 O THR A 26 -4.707 13.305 -5.058 1.00 72.32 O ATOM 356 CB THR A 26 -2.073 15.028 -4.223 1.00 72.14 C ATOM 357 OG1 THR A 26 -2.113 15.076 -5.659 1.00 35.41 O ATOM 358 CG2 THR A 26 -0.617 15.175 -3.740 1.00 20.10 C ATOM 0 H THR A 26 -2.098 12.466 -5.280 1.00 52.13 H new ATOM 0 HA THR A 26 -2.587 13.657 -2.619 1.00 52.32 H new ATOM 0 HB THR A 26 -2.645 15.860 -3.813 1.00 72.14 H new ATOM 0 HG1 THR A 26 -1.691 15.904 -5.971 1.00 35.41 H new ATOM 0 HG21 THR A 26 -0.196 16.101 -4.131 1.00 20.10 H new ATOM 0 HG22 THR A 26 -0.596 15.198 -2.650 1.00 20.10 H new ATOM 0 HG23 THR A 26 -0.028 14.330 -4.097 1.00 20.10 H new ATOM 366 N GLY A 27 -5.010 14.315 -3.050 1.00 42.42 N ATOM 367 CA GLY A 27 -6.458 14.481 -3.170 1.00 63.42 C ATOM 368 C GLY A 27 -7.013 15.382 -2.069 1.00 11.23 C ATOM 369 O GLY A 27 -6.369 16.374 -1.695 1.00 43.42 O ATOM 0 H GLY A 27 -4.630 14.664 -2.170 1.00 42.42 H new ATOM 0 HA2 GLY A 27 -6.697 14.907 -4.145 1.00 63.42 H new ATOM 0 HA3 GLY A 27 -6.942 13.506 -3.121 1.00 63.42 H new ATOM 373 N LYS A 28 -8.196 15.042 -1.539 1.00 41.13 N ATOM 374 CA LYS A 28 -8.882 15.861 -0.518 1.00 1.02 C ATOM 375 C LYS A 28 -9.438 14.956 0.598 1.00 34.52 C ATOM 376 O LYS A 28 -9.948 13.866 0.315 1.00 73.30 O ATOM 377 CB LYS A 28 -10.017 16.694 -1.188 1.00 34.21 C ATOM 378 CG LYS A 28 -10.456 17.947 -0.400 1.00 72.24 C ATOM 379 CD LYS A 28 -9.297 18.963 -0.231 1.00 32.22 C ATOM 380 CE LYS A 28 -9.743 20.280 0.419 1.00 33.42 C ATOM 381 NZ LYS A 28 -8.596 21.201 0.636 1.00 3.12 N ATOM 0 H LYS A 28 -8.705 14.198 -1.801 1.00 41.13 H new ATOM 0 HA LYS A 28 -8.171 16.553 -0.067 1.00 1.02 H new ATOM 0 HB2 LYS A 28 -9.684 17.004 -2.179 1.00 34.21 H new ATOM 0 HB3 LYS A 28 -10.885 16.050 -1.331 1.00 34.21 H new ATOM 0 HG2 LYS A 28 -11.287 18.428 -0.917 1.00 72.24 H new ATOM 0 HG3 LYS A 28 -10.822 17.648 0.582 1.00 72.24 H new ATOM 0 HD2 LYS A 28 -8.512 18.512 0.376 1.00 32.22 H new ATOM 0 HD3 LYS A 28 -8.862 19.175 -1.208 1.00 32.22 H new ATOM 0 HE2 LYS A 28 -10.485 20.766 -0.215 1.00 33.42 H new ATOM 0 HE3 LYS A 28 -10.227 20.070 1.373 1.00 33.42 H new ATOM 0 HZ1 LYS A 28 -8.941 22.181 0.682 1.00 3.12 H new ATOM 0 HZ2 LYS A 28 -8.121 20.959 1.529 1.00 3.12 H new ATOM 0 HZ3 LYS A 28 -7.922 21.108 -0.151 1.00 3.12 H new ATOM 395 N THR A 29 -9.329 15.423 1.862 1.00 11.54 N ATOM 396 CA THR A 29 -9.737 14.657 3.075 1.00 22.10 C ATOM 397 C THR A 29 -11.228 14.219 3.085 1.00 25.22 C ATOM 398 O THR A 29 -11.605 13.292 3.814 1.00 14.12 O ATOM 399 CB THR A 29 -9.429 15.461 4.384 1.00 61.41 C ATOM 400 OG1 THR A 29 -9.776 14.689 5.552 1.00 61.31 O ATOM 401 CG2 THR A 29 -10.160 16.821 4.408 1.00 12.54 C ATOM 0 H THR A 29 -8.954 16.347 2.077 1.00 11.54 H new ATOM 0 HA THR A 29 -9.139 13.746 3.040 1.00 22.10 H new ATOM 0 HB THR A 29 -8.357 15.658 4.396 1.00 61.41 H new ATOM 0 HG1 THR A 29 -9.441 13.774 5.451 1.00 61.31 H new ATOM 0 HG21 THR A 29 -9.920 17.347 5.332 1.00 12.54 H new ATOM 0 HG22 THR A 29 -9.841 17.421 3.556 1.00 12.54 H new ATOM 0 HG23 THR A 29 -11.236 16.657 4.353 1.00 12.54 H new ATOM 409 N ASP A 30 -12.051 14.898 2.278 1.00 32.15 N ATOM 410 CA ASP A 30 -13.485 14.587 2.117 1.00 64.04 C ATOM 411 C ASP A 30 -13.696 13.226 1.418 1.00 14.33 C ATOM 412 O ASP A 30 -14.590 12.458 1.787 1.00 62.31 O ATOM 413 CB ASP A 30 -14.146 15.704 1.273 1.00 21.11 C ATOM 414 CG ASP A 30 -14.031 17.090 1.921 1.00 61.32 C ATOM 415 OD1 ASP A 30 -12.922 17.664 1.926 1.00 51.34 O ATOM 416 OD2 ASP A 30 -15.050 17.623 2.417 1.00 23.25 O ATOM 0 H ASP A 30 -11.742 15.687 1.711 1.00 32.15 H new ATOM 0 HA ASP A 30 -13.939 14.530 3.106 1.00 64.04 H new ATOM 0 HB2 ASP A 30 -13.682 15.730 0.287 1.00 21.11 H new ATOM 0 HB3 ASP A 30 -15.199 15.465 1.124 1.00 21.11 H new ATOM 421 N ASP A 31 -12.843 12.935 0.425 1.00 1.33 N ATOM 422 CA ASP A 31 -12.998 11.765 -0.462 1.00 42.22 C ATOM 423 C ASP A 31 -11.923 10.685 -0.224 1.00 2.21 C ATOM 424 O ASP A 31 -10.889 10.918 0.417 1.00 75.12 O ATOM 425 CB ASP A 31 -12.947 12.221 -1.939 1.00 11.31 C ATOM 426 CG ASP A 31 -14.059 13.217 -2.288 1.00 22.11 C ATOM 427 OD1 ASP A 31 -15.191 12.777 -2.579 1.00 10.25 O ATOM 428 OD2 ASP A 31 -13.807 14.442 -2.272 1.00 62.45 O ATOM 0 H ASP A 31 -12.023 13.503 0.211 1.00 1.33 H new ATOM 0 HA ASP A 31 -13.964 11.317 -0.231 1.00 42.22 H new ATOM 0 HB2 ASP A 31 -11.978 12.678 -2.141 1.00 11.31 H new ATOM 0 HB3 ASP A 31 -13.029 11.349 -2.588 1.00 11.31 H new ATOM 433 N SER A 32 -12.209 9.499 -0.772 1.00 72.45 N ATOM 434 CA SER A 32 -11.285 8.348 -0.802 1.00 24.41 C ATOM 435 C SER A 32 -10.873 8.017 -2.254 1.00 32.42 C ATOM 436 O SER A 32 -11.432 8.559 -3.218 1.00 43.44 O ATOM 437 CB SER A 32 -11.955 7.116 -0.144 1.00 13.13 C ATOM 438 OG SER A 32 -13.129 6.717 -0.844 1.00 31.14 O ATOM 0 H SER A 32 -13.106 9.303 -1.217 1.00 72.45 H new ATOM 0 HA SER A 32 -10.387 8.609 -0.241 1.00 24.41 H new ATOM 0 HB2 SER A 32 -11.247 6.287 -0.119 1.00 13.13 H new ATOM 0 HB3 SER A 32 -12.210 7.349 0.890 1.00 13.13 H new ATOM 0 HG SER A 32 -13.524 5.937 -0.402 1.00 31.14 H new ATOM 444 N THR A 33 -9.886 7.128 -2.388 1.00 55.01 N ATOM 445 CA THR A 33 -9.427 6.598 -3.701 1.00 5.12 C ATOM 446 C THR A 33 -9.182 5.079 -3.616 1.00 12.22 C ATOM 447 O THR A 33 -9.051 4.522 -2.528 1.00 13.40 O ATOM 448 CB THR A 33 -8.128 7.320 -4.227 1.00 34.03 C ATOM 449 OG1 THR A 33 -7.808 6.859 -5.555 1.00 30.33 O ATOM 450 CG2 THR A 33 -6.905 7.105 -3.308 1.00 40.51 C ATOM 0 H THR A 33 -9.372 6.746 -1.594 1.00 55.01 H new ATOM 0 HA THR A 33 -10.225 6.801 -4.415 1.00 5.12 H new ATOM 0 HB THR A 33 -8.349 8.387 -4.236 1.00 34.03 H new ATOM 0 HG1 THR A 33 -7.001 7.314 -5.874 1.00 30.33 H new ATOM 0 HG21 THR A 33 -6.042 7.626 -3.723 1.00 40.51 H new ATOM 0 HG22 THR A 33 -7.123 7.497 -2.315 1.00 40.51 H new ATOM 0 HG23 THR A 33 -6.686 6.040 -3.237 1.00 40.51 H new ATOM 458 N THR A 34 -9.155 4.409 -4.776 1.00 74.41 N ATOM 459 CA THR A 34 -8.830 2.968 -4.879 1.00 51.22 C ATOM 460 C THR A 34 -7.449 2.788 -5.538 1.00 1.13 C ATOM 461 O THR A 34 -7.176 3.357 -6.600 1.00 0.41 O ATOM 462 CB THR A 34 -9.903 2.178 -5.707 1.00 62.12 C ATOM 463 OG1 THR A 34 -9.972 2.680 -7.054 1.00 32.51 O ATOM 464 CG2 THR A 34 -11.297 2.268 -5.065 1.00 11.40 C ATOM 0 H THR A 34 -9.357 4.846 -5.675 1.00 74.41 H new ATOM 0 HA THR A 34 -8.822 2.565 -3.866 1.00 51.22 H new ATOM 0 HB THR A 34 -9.593 1.133 -5.718 1.00 62.12 H new ATOM 0 HG1 THR A 34 -9.105 3.062 -7.306 1.00 32.51 H new ATOM 0 HG21 THR A 34 -12.012 1.708 -5.668 1.00 11.40 H new ATOM 0 HG22 THR A 34 -11.262 1.848 -4.060 1.00 11.40 H new ATOM 0 HG23 THR A 34 -11.606 3.312 -5.011 1.00 11.40 H new ATOM 472 N TYR A 35 -6.578 2.010 -4.887 1.00 5.13 N ATOM 473 CA TYR A 35 -5.237 1.677 -5.409 1.00 3.03 C ATOM 474 C TYR A 35 -5.085 0.153 -5.532 1.00 43.34 C ATOM 475 O TYR A 35 -5.231 -0.563 -4.545 1.00 30.15 O ATOM 476 CB TYR A 35 -4.141 2.257 -4.481 1.00 55.11 C ATOM 477 CG TYR A 35 -2.697 1.941 -4.923 1.00 14.41 C ATOM 478 CD1 TYR A 35 -2.111 2.621 -5.998 1.00 52.31 C ATOM 479 CD2 TYR A 35 -1.926 0.962 -4.277 1.00 10.41 C ATOM 480 CE1 TYR A 35 -0.822 2.345 -6.405 1.00 70.25 C ATOM 481 CE2 TYR A 35 -0.637 0.685 -4.686 1.00 54.44 C ATOM 482 CZ TYR A 35 -0.089 1.378 -5.749 1.00 52.04 C ATOM 483 OH TYR A 35 1.197 1.103 -6.156 1.00 23.44 O ATOM 0 H TYR A 35 -6.778 1.589 -3.980 1.00 5.13 H new ATOM 0 HA TYR A 35 -5.122 2.121 -6.398 1.00 3.03 H new ATOM 0 HB2 TYR A 35 -4.263 3.339 -4.428 1.00 55.11 H new ATOM 0 HB3 TYR A 35 -4.293 1.869 -3.474 1.00 55.11 H new ATOM 0 HD1 TYR A 35 -2.680 3.377 -6.519 1.00 52.31 H new ATOM 0 HD2 TYR A 35 -2.348 0.416 -3.446 1.00 10.41 H new ATOM 0 HE1 TYR A 35 -0.388 2.884 -7.234 1.00 70.25 H new ATOM 0 HE2 TYR A 35 -0.058 -0.071 -4.177 1.00 54.44 H new ATOM 0 HH TYR A 35 1.830 1.421 -5.478 1.00 23.44 H new ATOM 493 N THR A 36 -4.784 -0.334 -6.743 1.00 41.34 N ATOM 494 CA THR A 36 -4.494 -1.760 -6.971 1.00 50.51 C ATOM 495 C THR A 36 -3.067 -2.091 -6.477 1.00 45.12 C ATOM 496 O THR A 36 -2.087 -1.475 -6.915 1.00 73.14 O ATOM 497 CB THR A 36 -4.653 -2.150 -8.480 1.00 43.11 C ATOM 498 OG1 THR A 36 -6.014 -1.927 -8.894 1.00 4.04 O ATOM 499 CG2 THR A 36 -4.274 -3.623 -8.757 1.00 55.24 C ATOM 0 H THR A 36 -4.734 0.240 -7.585 1.00 41.34 H new ATOM 0 HA THR A 36 -5.218 -2.345 -6.404 1.00 50.51 H new ATOM 0 HB THR A 36 -3.968 -1.521 -9.049 1.00 43.11 H new ATOM 0 HG1 THR A 36 -6.113 -2.169 -9.838 1.00 4.04 H new ATOM 0 HG21 THR A 36 -4.403 -3.839 -9.818 1.00 55.24 H new ATOM 0 HG22 THR A 36 -3.234 -3.790 -8.476 1.00 55.24 H new ATOM 0 HG23 THR A 36 -4.918 -4.280 -8.172 1.00 55.24 H new ATOM 507 N VAL A 37 -2.976 -3.059 -5.554 1.00 41.21 N ATOM 508 CA VAL A 37 -1.700 -3.546 -5.013 1.00 55.32 C ATOM 509 C VAL A 37 -1.005 -4.426 -6.079 1.00 33.31 C ATOM 510 O VAL A 37 -1.598 -5.377 -6.592 1.00 74.44 O ATOM 511 CB VAL A 37 -1.924 -4.379 -3.694 1.00 62.25 C ATOM 512 CG1 VAL A 37 -0.584 -4.886 -3.111 1.00 21.01 C ATOM 513 CG2 VAL A 37 -2.725 -3.565 -2.645 1.00 32.42 C ATOM 0 H VAL A 37 -3.791 -3.529 -5.160 1.00 41.21 H new ATOM 0 HA VAL A 37 -1.072 -2.690 -4.767 1.00 55.32 H new ATOM 0 HB VAL A 37 -2.518 -5.255 -3.955 1.00 62.25 H new ATOM 0 HG11 VAL A 37 -0.775 -5.456 -2.202 1.00 21.01 H new ATOM 0 HG12 VAL A 37 -0.087 -5.524 -3.842 1.00 21.01 H new ATOM 0 HG13 VAL A 37 0.056 -4.035 -2.877 1.00 21.01 H new ATOM 0 HG21 VAL A 37 -2.863 -4.166 -1.746 1.00 32.42 H new ATOM 0 HG22 VAL A 37 -2.177 -2.657 -2.393 1.00 32.42 H new ATOM 0 HG23 VAL A 37 -3.698 -3.299 -3.057 1.00 32.42 H new ATOM 523 N THR A 38 0.242 -4.085 -6.415 1.00 20.34 N ATOM 524 CA THR A 38 1.006 -4.750 -7.487 1.00 52.32 C ATOM 525 C THR A 38 2.084 -5.660 -6.865 1.00 22.52 C ATOM 526 O THR A 38 3.006 -5.179 -6.195 1.00 53.43 O ATOM 527 CB THR A 38 1.650 -3.695 -8.455 1.00 31.43 C ATOM 528 OG1 THR A 38 2.514 -2.802 -7.731 1.00 72.42 O ATOM 529 CG2 THR A 38 0.577 -2.861 -9.185 1.00 15.23 C ATOM 0 H THR A 38 0.757 -3.337 -5.952 1.00 20.34 H new ATOM 0 HA THR A 38 0.326 -5.363 -8.078 1.00 52.32 H new ATOM 0 HB THR A 38 2.226 -4.253 -9.193 1.00 31.43 H new ATOM 0 HG1 THR A 38 2.029 -2.424 -6.968 1.00 72.42 H new ATOM 0 HG21 THR A 38 1.062 -2.142 -9.846 1.00 15.23 H new ATOM 0 HG22 THR A 38 -0.060 -3.522 -9.773 1.00 15.23 H new ATOM 0 HG23 THR A 38 -0.030 -2.329 -8.453 1.00 15.23 H new ATOM 537 N ILE A 39 1.933 -6.986 -7.053 1.00 0.42 N ATOM 538 CA ILE A 39 2.838 -7.995 -6.448 1.00 10.22 C ATOM 539 C ILE A 39 3.990 -8.338 -7.436 1.00 33.44 C ATOM 540 O ILE A 39 3.737 -8.984 -8.460 1.00 65.23 O ATOM 541 CB ILE A 39 2.053 -9.319 -6.068 1.00 1.42 C ATOM 542 CG1 ILE A 39 0.700 -9.000 -5.347 1.00 33.42 C ATOM 543 CG2 ILE A 39 2.930 -10.256 -5.197 1.00 33.25 C ATOM 544 CD1 ILE A 39 0.824 -8.229 -4.045 1.00 12.31 C ATOM 0 H ILE A 39 1.189 -7.389 -7.622 1.00 0.42 H new ATOM 0 HA ILE A 39 3.252 -7.568 -5.535 1.00 10.22 H new ATOM 0 HB ILE A 39 1.819 -9.836 -6.999 1.00 1.42 H new ATOM 0 HG12 ILE A 39 0.070 -8.430 -6.029 1.00 33.42 H new ATOM 0 HG13 ILE A 39 0.184 -9.939 -5.146 1.00 33.42 H new ATOM 0 HG21 ILE A 39 2.367 -11.156 -4.951 1.00 33.25 H new ATOM 0 HG22 ILE A 39 3.829 -10.530 -5.749 1.00 33.25 H new ATOM 0 HG23 ILE A 39 3.211 -9.741 -4.278 1.00 33.25 H new ATOM 0 HD11 ILE A 39 -0.168 -8.060 -3.627 1.00 12.31 H new ATOM 0 HD12 ILE A 39 1.423 -8.803 -3.338 1.00 12.31 H new ATOM 0 HD13 ILE A 39 1.306 -7.270 -4.234 1.00 12.31 H new ATOM 556 N PRO A 40 5.273 -7.910 -7.159 1.00 1.32 N ATOM 557 CA PRO A 40 6.423 -8.194 -8.062 1.00 33.20 C ATOM 558 C PRO A 40 6.747 -9.711 -8.136 1.00 51.25 C ATOM 559 O PRO A 40 6.593 -10.430 -7.142 1.00 42.12 O ATOM 560 CB PRO A 40 7.590 -7.376 -7.437 1.00 11.34 C ATOM 561 CG PRO A 40 7.215 -7.233 -5.992 1.00 21.11 C ATOM 562 CD PRO A 40 5.703 -7.132 -5.969 1.00 51.35 C ATOM 0 HA PRO A 40 6.222 -7.913 -9.096 1.00 33.20 H new ATOM 0 HB2 PRO A 40 8.543 -7.893 -7.551 1.00 11.34 H new ATOM 0 HB3 PRO A 40 7.696 -6.404 -7.918 1.00 11.34 H new ATOM 0 HG2 PRO A 40 7.559 -8.089 -5.412 1.00 21.11 H new ATOM 0 HG3 PRO A 40 7.673 -6.346 -5.554 1.00 21.11 H new ATOM 0 HD2 PRO A 40 5.289 -7.547 -5.050 1.00 51.35 H new ATOM 0 HD3 PRO A 40 5.371 -6.095 -6.028 1.00 51.35 H new ATOM 570 N ASP A 41 7.193 -10.165 -9.324 1.00 54.21 N ATOM 571 CA ASP A 41 7.450 -11.597 -9.632 1.00 30.15 C ATOM 572 C ASP A 41 8.449 -12.244 -8.625 1.00 11.13 C ATOM 573 O ASP A 41 9.620 -11.860 -8.575 1.00 3.22 O ATOM 574 CB ASP A 41 7.983 -11.726 -11.085 1.00 33.23 C ATOM 575 CG ASP A 41 7.024 -11.120 -12.123 1.00 32.43 C ATOM 576 OD1 ASP A 41 6.097 -11.827 -12.574 1.00 2.24 O ATOM 577 OD2 ASP A 41 7.161 -9.924 -12.457 1.00 31.24 O ATOM 0 H ASP A 41 7.389 -9.545 -10.110 1.00 54.21 H new ATOM 0 HA ASP A 41 6.508 -12.137 -9.536 1.00 30.15 H new ATOM 0 HB2 ASP A 41 8.951 -11.231 -11.158 1.00 33.23 H new ATOM 0 HB3 ASP A 41 8.145 -12.779 -11.316 1.00 33.23 H new ATOM 582 N GLY A 42 7.958 -13.210 -7.821 1.00 75.02 N ATOM 583 CA GLY A 42 8.767 -13.876 -6.775 1.00 23.42 C ATOM 584 C GLY A 42 8.328 -13.534 -5.342 1.00 20.53 C ATOM 585 O GLY A 42 8.846 -14.109 -4.381 1.00 35.43 O ATOM 0 H GLY A 42 6.998 -13.549 -7.876 1.00 75.02 H new ATOM 0 HA2 GLY A 42 8.709 -14.955 -6.915 1.00 23.42 H new ATOM 0 HA3 GLY A 42 9.812 -13.594 -6.902 1.00 23.42 H new ATOM 589 N TYR A 43 7.380 -12.582 -5.198 1.00 42.13 N ATOM 590 CA TYR A 43 6.819 -12.171 -3.880 1.00 45.03 C ATOM 591 C TYR A 43 5.354 -12.652 -3.714 1.00 11.20 C ATOM 592 O TYR A 43 4.675 -12.971 -4.691 1.00 51.52 O ATOM 593 CB TYR A 43 6.875 -10.623 -3.705 1.00 50.00 C ATOM 594 CG TYR A 43 8.290 -10.021 -3.550 1.00 41.23 C ATOM 595 CD1 TYR A 43 9.234 -10.094 -4.581 1.00 3.44 C ATOM 596 CD2 TYR A 43 8.676 -9.368 -2.370 1.00 72.50 C ATOM 597 CE1 TYR A 43 10.491 -9.546 -4.443 1.00 41.12 C ATOM 598 CE2 TYR A 43 9.933 -8.814 -2.234 1.00 41.30 C ATOM 599 CZ TYR A 43 10.836 -8.908 -3.270 1.00 72.24 C ATOM 600 OH TYR A 43 12.093 -8.359 -3.134 1.00 2.44 O ATOM 0 H TYR A 43 6.979 -12.074 -5.987 1.00 42.13 H new ATOM 0 HA TYR A 43 7.433 -12.641 -3.112 1.00 45.03 H new ATOM 0 HB2 TYR A 43 6.395 -10.160 -4.567 1.00 50.00 H new ATOM 0 HB3 TYR A 43 6.286 -10.353 -2.829 1.00 50.00 H new ATOM 0 HD1 TYR A 43 8.972 -10.590 -5.504 1.00 3.44 H new ATOM 0 HD2 TYR A 43 7.975 -9.297 -1.551 1.00 72.50 H new ATOM 0 HE1 TYR A 43 11.204 -9.616 -5.251 1.00 41.12 H new ATOM 0 HE2 TYR A 43 10.207 -8.309 -1.319 1.00 41.30 H new ATOM 0 HH TYR A 43 12.176 -7.946 -2.249 1.00 2.44 H new ATOM 610 N GLU A 44 4.886 -12.692 -2.454 1.00 74.41 N ATOM 611 CA GLU A 44 3.483 -13.018 -2.095 1.00 35.43 C ATOM 612 C GLU A 44 2.909 -11.920 -1.167 1.00 71.43 C ATOM 613 O GLU A 44 3.636 -11.378 -0.327 1.00 24.03 O ATOM 614 CB GLU A 44 3.414 -14.393 -1.375 1.00 13.25 C ATOM 615 CG GLU A 44 3.957 -15.592 -2.184 1.00 21.14 C ATOM 616 CD GLU A 44 3.854 -16.920 -1.412 1.00 2.02 C ATOM 617 OE1 GLU A 44 4.753 -17.217 -0.595 1.00 72.42 O ATOM 618 OE2 GLU A 44 2.862 -17.660 -1.593 1.00 51.10 O ATOM 0 H GLU A 44 5.473 -12.498 -1.643 1.00 74.41 H new ATOM 0 HA GLU A 44 2.893 -13.067 -3.010 1.00 35.43 H new ATOM 0 HB2 GLU A 44 3.972 -14.324 -0.441 1.00 13.25 H new ATOM 0 HB3 GLU A 44 2.376 -14.594 -1.111 1.00 13.25 H new ATOM 0 HG2 GLU A 44 3.404 -15.675 -3.119 1.00 21.14 H new ATOM 0 HG3 GLU A 44 4.999 -15.408 -2.446 1.00 21.14 H new ATOM 625 N TYR A 45 1.609 -11.600 -1.318 1.00 11.23 N ATOM 626 CA TYR A 45 0.924 -10.597 -0.469 1.00 3.02 C ATOM 627 C TYR A 45 0.737 -11.104 0.991 1.00 20.52 C ATOM 628 O TYR A 45 0.293 -12.235 1.215 1.00 61.11 O ATOM 629 CB TYR A 45 -0.447 -10.217 -1.088 1.00 64.50 C ATOM 630 CG TYR A 45 -1.271 -9.220 -0.247 1.00 31.25 C ATOM 631 CD1 TYR A 45 -0.879 -7.879 -0.126 1.00 54.50 C ATOM 632 CD2 TYR A 45 -2.416 -9.626 0.451 1.00 52.32 C ATOM 633 CE1 TYR A 45 -1.599 -6.995 0.649 1.00 73.22 C ATOM 634 CE2 TYR A 45 -3.131 -8.744 1.228 1.00 72.11 C ATOM 635 CZ TYR A 45 -2.723 -7.433 1.321 1.00 61.01 C ATOM 636 OH TYR A 45 -3.429 -6.561 2.108 1.00 40.41 O ATOM 0 H TYR A 45 1.006 -12.023 -2.024 1.00 11.23 H new ATOM 0 HA TYR A 45 1.557 -9.711 -0.429 1.00 3.02 H new ATOM 0 HB2 TYR A 45 -0.280 -9.789 -2.076 1.00 64.50 H new ATOM 0 HB3 TYR A 45 -1.033 -11.125 -1.229 1.00 64.50 H new ATOM 0 HD1 TYR A 45 0.001 -7.533 -0.648 1.00 54.50 H new ATOM 0 HD2 TYR A 45 -2.744 -10.652 0.378 1.00 52.32 H new ATOM 0 HE1 TYR A 45 -1.285 -5.965 0.730 1.00 73.22 H new ATOM 0 HE2 TYR A 45 -4.008 -9.079 1.762 1.00 72.11 H new ATOM 0 HH TYR A 45 -3.579 -6.963 2.989 1.00 40.41 H new ATOM 646 N VAL A 46 1.085 -10.249 1.975 1.00 44.33 N ATOM 647 CA VAL A 46 0.948 -10.566 3.421 1.00 75.20 C ATOM 648 C VAL A 46 -0.197 -9.750 4.074 1.00 24.02 C ATOM 649 O VAL A 46 -1.176 -10.324 4.570 1.00 1.54 O ATOM 650 CB VAL A 46 2.299 -10.297 4.191 1.00 23.52 C ATOM 651 CG1 VAL A 46 2.201 -10.673 5.692 1.00 1.14 C ATOM 652 CG2 VAL A 46 3.472 -11.028 3.506 1.00 31.30 C ATOM 0 H VAL A 46 1.468 -9.321 1.795 1.00 44.33 H new ATOM 0 HA VAL A 46 0.704 -11.626 3.495 1.00 75.20 H new ATOM 0 HB VAL A 46 2.491 -9.225 4.147 1.00 23.52 H new ATOM 0 HG11 VAL A 46 3.154 -10.471 6.181 1.00 1.14 H new ATOM 0 HG12 VAL A 46 1.418 -10.081 6.165 1.00 1.14 H new ATOM 0 HG13 VAL A 46 1.962 -11.732 5.787 1.00 1.14 H new ATOM 0 HG21 VAL A 46 4.394 -10.829 4.053 1.00 31.30 H new ATOM 0 HG22 VAL A 46 3.278 -12.101 3.499 1.00 31.30 H new ATOM 0 HG23 VAL A 46 3.574 -10.671 2.481 1.00 31.30 H new ATOM 662 N GLY A 47 -0.066 -8.406 4.062 1.00 13.21 N ATOM 663 CA GLY A 47 -1.030 -7.521 4.745 1.00 1.11 C ATOM 664 C GLY A 47 -0.800 -6.032 4.459 1.00 42.24 C ATOM 665 O GLY A 47 0.261 -5.657 3.975 1.00 64.11 O ATOM 0 H GLY A 47 0.693 -7.914 3.590 1.00 13.21 H new ATOM 0 HA2 GLY A 47 -2.040 -7.790 4.437 1.00 1.11 H new ATOM 0 HA3 GLY A 47 -0.969 -7.690 5.820 1.00 1.11 H new ATOM 669 N THR A 48 -1.793 -5.184 4.781 1.00 44.41 N ATOM 670 CA THR A 48 -1.734 -3.715 4.524 1.00 12.10 C ATOM 671 C THR A 48 -1.898 -2.901 5.835 1.00 44.21 C ATOM 672 O THR A 48 -2.719 -3.237 6.696 1.00 43.23 O ATOM 673 CB THR A 48 -2.824 -3.286 3.470 1.00 10.40 C ATOM 674 OG1 THR A 48 -2.501 -3.840 2.183 1.00 32.13 O ATOM 675 CG2 THR A 48 -2.970 -1.759 3.322 1.00 65.41 C ATOM 0 H THR A 48 -2.660 -5.486 5.225 1.00 44.41 H new ATOM 0 HA THR A 48 -0.748 -3.494 4.114 1.00 12.10 H new ATOM 0 HB THR A 48 -3.773 -3.671 3.842 1.00 10.40 H new ATOM 0 HG1 THR A 48 -2.795 -4.774 2.146 1.00 32.13 H new ATOM 0 HG21 THR A 48 -3.737 -1.537 2.580 1.00 65.41 H new ATOM 0 HG22 THR A 48 -3.256 -1.326 4.281 1.00 65.41 H new ATOM 0 HG23 THR A 48 -2.020 -1.332 3.000 1.00 65.41 H new ATOM 683 N ASP A 49 -1.088 -1.831 5.962 1.00 75.21 N ATOM 684 CA ASP A 49 -1.103 -0.891 7.111 1.00 41.23 C ATOM 685 C ASP A 49 -1.649 0.489 6.673 1.00 52.23 C ATOM 686 O ASP A 49 -1.572 0.836 5.495 1.00 42.54 O ATOM 687 CB ASP A 49 0.330 -0.698 7.685 1.00 15.23 C ATOM 688 CG ASP A 49 1.005 -1.959 8.252 1.00 2.43 C ATOM 689 OD1 ASP A 49 0.461 -3.080 8.151 1.00 52.11 O ATOM 690 OD2 ASP A 49 2.110 -1.826 8.814 1.00 42.10 O ATOM 0 H ASP A 49 -0.391 -1.588 5.258 1.00 75.21 H new ATOM 0 HA ASP A 49 -1.748 -1.318 7.879 1.00 41.23 H new ATOM 0 HB2 ASP A 49 0.964 -0.294 6.896 1.00 15.23 H new ATOM 0 HB3 ASP A 49 0.286 0.052 8.474 1.00 15.23 H new ATOM 695 N GLY A 50 -2.218 1.255 7.627 1.00 5.34 N ATOM 696 CA GLY A 50 -2.639 2.652 7.388 1.00 4.44 C ATOM 697 C GLY A 50 -4.015 2.778 6.727 1.00 24.30 C ATOM 698 O GLY A 50 -4.985 3.221 7.360 1.00 63.21 O ATOM 0 H GLY A 50 -2.397 0.927 8.576 1.00 5.34 H new ATOM 0 HA2 GLY A 50 -2.653 3.185 8.339 1.00 4.44 H new ATOM 0 HA3 GLY A 50 -1.897 3.143 6.758 1.00 4.44 H new ATOM 702 N GLY A 51 -4.092 2.388 5.440 1.00 63.34 N ATOM 703 CA GLY A 51 -5.354 2.389 4.686 1.00 30.24 C ATOM 704 C GLY A 51 -6.220 1.152 4.953 1.00 5.14 C ATOM 705 O GLY A 51 -5.838 0.271 5.731 1.00 23.55 O ATOM 0 H GLY A 51 -3.288 2.067 4.901 1.00 63.34 H new ATOM 0 HA2 GLY A 51 -5.922 3.284 4.942 1.00 30.24 H new ATOM 0 HA3 GLY A 51 -5.133 2.446 3.620 1.00 30.24 H new ATOM 709 N VAL A 52 -7.381 1.080 4.287 1.00 73.35 N ATOM 710 CA VAL A 52 -8.348 -0.038 4.451 1.00 41.13 C ATOM 711 C VAL A 52 -8.285 -0.966 3.220 1.00 25.14 C ATOM 712 O VAL A 52 -8.625 -0.549 2.115 1.00 41.22 O ATOM 713 CB VAL A 52 -9.818 0.498 4.650 1.00 2.13 C ATOM 714 CG1 VAL A 52 -10.843 -0.660 4.793 1.00 74.55 C ATOM 715 CG2 VAL A 52 -9.892 1.456 5.863 1.00 45.31 C ATOM 0 H VAL A 52 -7.685 1.788 3.619 1.00 73.35 H new ATOM 0 HA VAL A 52 -8.073 -0.598 5.345 1.00 41.13 H new ATOM 0 HB VAL A 52 -10.086 1.056 3.753 1.00 2.13 H new ATOM 0 HG11 VAL A 52 -11.842 -0.247 4.928 1.00 74.55 H new ATOM 0 HG12 VAL A 52 -10.824 -1.276 3.894 1.00 74.55 H new ATOM 0 HG13 VAL A 52 -10.583 -1.271 5.657 1.00 74.55 H new ATOM 0 HG21 VAL A 52 -10.915 1.814 5.982 1.00 45.31 H new ATOM 0 HG22 VAL A 52 -9.586 0.926 6.765 1.00 45.31 H new ATOM 0 HG23 VAL A 52 -9.228 2.304 5.698 1.00 45.31 H new ATOM 725 N VAL A 53 -7.856 -2.224 3.418 1.00 23.31 N ATOM 726 CA VAL A 53 -7.708 -3.197 2.312 1.00 42.40 C ATOM 727 C VAL A 53 -9.062 -3.892 1.990 1.00 42.25 C ATOM 728 O VAL A 53 -9.910 -4.084 2.874 1.00 71.14 O ATOM 729 CB VAL A 53 -6.594 -4.269 2.629 1.00 22.00 C ATOM 730 CG1 VAL A 53 -6.986 -5.175 3.820 1.00 62.05 C ATOM 731 CG2 VAL A 53 -6.228 -5.107 1.373 1.00 24.31 C ATOM 0 H VAL A 53 -7.604 -2.595 4.334 1.00 23.31 H new ATOM 0 HA VAL A 53 -7.393 -2.639 1.430 1.00 42.40 H new ATOM 0 HB VAL A 53 -5.701 -3.719 2.924 1.00 22.00 H new ATOM 0 HG11 VAL A 53 -6.191 -5.898 4.004 1.00 62.05 H new ATOM 0 HG12 VAL A 53 -7.133 -4.563 4.710 1.00 62.05 H new ATOM 0 HG13 VAL A 53 -7.910 -5.703 3.586 1.00 62.05 H new ATOM 0 HG21 VAL A 53 -5.458 -5.834 1.632 1.00 24.31 H new ATOM 0 HG22 VAL A 53 -7.114 -5.630 1.014 1.00 24.31 H new ATOM 0 HG23 VAL A 53 -5.855 -4.446 0.591 1.00 24.31 H new ATOM 741 N SER A 54 -9.260 -4.232 0.709 1.00 64.23 N ATOM 742 CA SER A 54 -10.453 -4.971 0.232 1.00 61.01 C ATOM 743 C SER A 54 -10.426 -6.463 0.661 1.00 21.03 C ATOM 744 O SER A 54 -9.372 -6.999 1.023 1.00 25.32 O ATOM 745 CB SER A 54 -10.559 -4.852 -1.303 1.00 42.25 C ATOM 746 OG SER A 54 -11.659 -5.591 -1.830 1.00 63.44 O ATOM 0 H SER A 54 -8.599 -4.005 -0.034 1.00 64.23 H new ATOM 0 HA SER A 54 -11.332 -4.522 0.694 1.00 61.01 H new ATOM 0 HB2 SER A 54 -10.665 -3.802 -1.577 1.00 42.25 H new ATOM 0 HB3 SER A 54 -9.634 -5.208 -1.757 1.00 42.25 H new ATOM 0 HG SER A 54 -11.688 -5.485 -2.804 1.00 63.44 H new ATOM 752 N SER A 55 -11.603 -7.117 0.583 1.00 62.23 N ATOM 753 CA SER A 55 -11.819 -8.523 1.020 1.00 51.15 C ATOM 754 C SER A 55 -10.913 -9.532 0.282 1.00 34.45 C ATOM 755 O SER A 55 -10.470 -10.523 0.867 1.00 62.41 O ATOM 756 CB SER A 55 -13.299 -8.911 0.802 1.00 44.21 C ATOM 757 OG SER A 55 -13.679 -8.744 -0.555 1.00 75.24 O ATOM 0 H SER A 55 -12.447 -6.682 0.210 1.00 62.23 H new ATOM 0 HA SER A 55 -11.558 -8.570 2.077 1.00 51.15 H new ATOM 0 HB2 SER A 55 -13.454 -9.948 1.101 1.00 44.21 H new ATOM 0 HB3 SER A 55 -13.936 -8.297 1.439 1.00 44.21 H new ATOM 0 HG SER A 55 -14.619 -8.998 -0.665 1.00 75.24 H new ATOM 763 N ASP A 56 -10.651 -9.276 -1.007 1.00 53.11 N ATOM 764 CA ASP A 56 -9.832 -10.171 -1.865 1.00 30.10 C ATOM 765 C ASP A 56 -8.312 -9.886 -1.723 1.00 61.21 C ATOM 766 O ASP A 56 -7.487 -10.689 -2.174 1.00 64.32 O ATOM 767 CB ASP A 56 -10.277 -10.018 -3.339 1.00 65.34 C ATOM 768 CG ASP A 56 -11.778 -10.274 -3.523 1.00 20.43 C ATOM 769 OD1 ASP A 56 -12.580 -9.323 -3.382 1.00 21.13 O ATOM 770 OD2 ASP A 56 -12.170 -11.436 -3.775 1.00 72.12 O ATOM 0 H ASP A 56 -10.996 -8.447 -1.492 1.00 53.11 H new ATOM 0 HA ASP A 56 -9.994 -11.197 -1.536 1.00 30.10 H new ATOM 0 HB2 ASP A 56 -10.037 -9.013 -3.686 1.00 65.34 H new ATOM 0 HB3 ASP A 56 -9.713 -10.714 -3.961 1.00 65.34 H new ATOM 775 N GLY A 57 -7.958 -8.741 -1.096 1.00 41.23 N ATOM 776 CA GLY A 57 -6.551 -8.336 -0.896 1.00 12.44 C ATOM 777 C GLY A 57 -5.850 -7.799 -2.155 1.00 24.25 C ATOM 778 O GLY A 57 -4.639 -7.549 -2.127 1.00 54.35 O ATOM 0 H GLY A 57 -8.635 -8.078 -0.718 1.00 41.23 H new ATOM 0 HA2 GLY A 57 -6.515 -7.569 -0.122 1.00 12.44 H new ATOM 0 HA3 GLY A 57 -5.990 -9.193 -0.523 1.00 12.44 H new ATOM 782 N LYS A 58 -6.614 -7.626 -3.253 1.00 25.33 N ATOM 783 CA LYS A 58 -6.080 -7.158 -4.559 1.00 4.54 C ATOM 784 C LYS A 58 -5.913 -5.622 -4.582 1.00 4.24 C ATOM 785 O LYS A 58 -4.989 -5.102 -5.209 1.00 72.34 O ATOM 786 CB LYS A 58 -7.036 -7.584 -5.705 1.00 54.25 C ATOM 787 CG LYS A 58 -7.352 -9.100 -5.759 1.00 51.13 C ATOM 788 CD LYS A 58 -8.478 -9.437 -6.771 1.00 21.21 C ATOM 789 CE LYS A 58 -8.100 -9.122 -8.230 1.00 45.14 C ATOM 790 NZ LYS A 58 -6.983 -9.975 -8.712 1.00 20.21 N ATOM 0 H LYS A 58 -7.618 -7.805 -3.265 1.00 25.33 H new ATOM 0 HA LYS A 58 -5.101 -7.615 -4.700 1.00 4.54 H new ATOM 0 HB2 LYS A 58 -7.972 -7.036 -5.601 1.00 54.25 H new ATOM 0 HB3 LYS A 58 -6.596 -7.285 -6.656 1.00 54.25 H new ATOM 0 HG2 LYS A 58 -6.449 -9.647 -6.030 1.00 51.13 H new ATOM 0 HG3 LYS A 58 -7.646 -9.442 -4.767 1.00 51.13 H new ATOM 0 HD2 LYS A 58 -8.727 -10.495 -6.688 1.00 21.21 H new ATOM 0 HD3 LYS A 58 -9.375 -8.877 -6.506 1.00 21.21 H new ATOM 0 HE2 LYS A 58 -8.970 -9.269 -8.870 1.00 45.14 H new ATOM 0 HE3 LYS A 58 -7.817 -8.073 -8.313 1.00 45.14 H new ATOM 0 HZ1 LYS A 58 -6.805 -9.778 -9.718 1.00 20.21 H new ATOM 0 HZ2 LYS A 58 -6.125 -9.768 -8.162 1.00 20.21 H new ATOM 0 HZ3 LYS A 58 -7.236 -10.977 -8.595 1.00 20.21 H new ATOM 804 N THR A 59 -6.849 -4.914 -3.918 1.00 25.43 N ATOM 805 CA THR A 59 -6.877 -3.427 -3.861 1.00 33.11 C ATOM 806 C THR A 59 -6.924 -2.918 -2.403 1.00 73.54 C ATOM 807 O THR A 59 -7.271 -3.659 -1.481 1.00 13.21 O ATOM 808 CB THR A 59 -8.120 -2.838 -4.630 1.00 60.33 C ATOM 809 OG1 THR A 59 -9.342 -3.295 -4.018 1.00 1.41 O ATOM 810 CG2 THR A 59 -8.121 -3.228 -6.120 1.00 61.42 C ATOM 0 H THR A 59 -7.612 -5.353 -3.403 1.00 25.43 H new ATOM 0 HA THR A 59 -5.959 -3.087 -4.340 1.00 33.11 H new ATOM 0 HB THR A 59 -8.051 -1.752 -4.567 1.00 60.33 H new ATOM 0 HG1 THR A 59 -10.109 -2.923 -4.501 1.00 1.41 H new ATOM 0 HG21 THR A 59 -8.996 -2.799 -6.608 1.00 61.42 H new ATOM 0 HG22 THR A 59 -7.217 -2.848 -6.596 1.00 61.42 H new ATOM 0 HG23 THR A 59 -8.150 -4.314 -6.212 1.00 61.42 H new ATOM 818 N VAL A 60 -6.580 -1.635 -2.223 1.00 43.33 N ATOM 819 CA VAL A 60 -6.665 -0.918 -0.935 1.00 15.33 C ATOM 820 C VAL A 60 -7.394 0.440 -1.136 1.00 22.11 C ATOM 821 O VAL A 60 -7.000 1.257 -1.981 1.00 75.43 O ATOM 822 CB VAL A 60 -5.227 -0.703 -0.294 1.00 13.32 C ATOM 823 CG1 VAL A 60 -4.227 -0.042 -1.283 1.00 53.32 C ATOM 824 CG2 VAL A 60 -5.310 0.099 1.035 1.00 4.42 C ATOM 0 H VAL A 60 -6.227 -1.052 -2.982 1.00 43.33 H new ATOM 0 HA VAL A 60 -7.240 -1.528 -0.238 1.00 15.33 H new ATOM 0 HB VAL A 60 -4.839 -1.696 -0.066 1.00 13.32 H new ATOM 0 HG11 VAL A 60 -3.260 0.082 -0.795 1.00 53.32 H new ATOM 0 HG12 VAL A 60 -4.111 -0.677 -2.161 1.00 53.32 H new ATOM 0 HG13 VAL A 60 -4.607 0.933 -1.588 1.00 53.32 H new ATOM 0 HG21 VAL A 60 -4.309 0.227 1.446 1.00 4.42 H new ATOM 0 HG22 VAL A 60 -5.752 1.077 0.843 1.00 4.42 H new ATOM 0 HG23 VAL A 60 -5.928 -0.444 1.750 1.00 4.42 H new ATOM 834 N THR A 61 -8.493 0.647 -0.385 1.00 54.22 N ATOM 835 CA THR A 61 -9.194 1.944 -0.324 1.00 31.14 C ATOM 836 C THR A 61 -8.408 2.910 0.585 1.00 20.34 C ATOM 837 O THR A 61 -8.343 2.725 1.808 1.00 51.24 O ATOM 838 CB THR A 61 -10.661 1.799 0.212 1.00 75.41 C ATOM 839 OG1 THR A 61 -11.420 0.922 -0.647 1.00 55.44 O ATOM 840 CG2 THR A 61 -11.380 3.163 0.321 1.00 62.53 C ATOM 0 H THR A 61 -8.918 -0.077 0.194 1.00 54.22 H new ATOM 0 HA THR A 61 -9.251 2.337 -1.339 1.00 31.14 H new ATOM 0 HB THR A 61 -10.596 1.374 1.214 1.00 75.41 H new ATOM 0 HG1 THR A 61 -12.334 0.837 -0.303 1.00 55.44 H new ATOM 0 HG21 THR A 61 -12.392 3.012 0.696 1.00 62.53 H new ATOM 0 HG22 THR A 61 -10.832 3.810 1.006 1.00 62.53 H new ATOM 0 HG23 THR A 61 -11.424 3.631 -0.663 1.00 62.53 H new ATOM 848 N ILE A 62 -7.783 3.914 -0.036 1.00 74.32 N ATOM 849 CA ILE A 62 -6.962 4.918 0.658 1.00 21.42 C ATOM 850 C ILE A 62 -7.727 6.251 0.755 1.00 35.42 C ATOM 851 O ILE A 62 -7.940 6.925 -0.258 1.00 62.40 O ATOM 852 CB ILE A 62 -5.605 5.149 -0.107 1.00 14.23 C ATOM 853 CG1 ILE A 62 -4.948 3.784 -0.487 1.00 62.30 C ATOM 854 CG2 ILE A 62 -4.641 6.021 0.738 1.00 43.05 C ATOM 855 CD1 ILE A 62 -3.667 3.897 -1.285 1.00 72.35 C ATOM 0 H ILE A 62 -7.831 4.057 -1.045 1.00 74.32 H new ATOM 0 HA ILE A 62 -6.746 4.549 1.660 1.00 21.42 H new ATOM 0 HB ILE A 62 -5.817 5.687 -1.031 1.00 14.23 H new ATOM 0 HG12 ILE A 62 -4.742 3.229 0.428 1.00 62.30 H new ATOM 0 HG13 ILE A 62 -5.666 3.198 -1.060 1.00 62.30 H new ATOM 0 HG21 ILE A 62 -3.710 6.168 0.191 1.00 43.05 H new ATOM 0 HG22 ILE A 62 -5.103 6.988 0.935 1.00 43.05 H new ATOM 0 HG23 ILE A 62 -4.431 5.520 1.683 1.00 43.05 H new ATOM 0 HD11 ILE A 62 -3.284 2.900 -1.502 1.00 72.35 H new ATOM 0 HD12 ILE A 62 -3.866 4.421 -2.220 1.00 72.35 H new ATOM 0 HD13 ILE A 62 -2.927 4.452 -0.708 1.00 72.35 H new ATOM 867 N THR A 63 -8.143 6.628 1.964 1.00 74.42 N ATOM 868 CA THR A 63 -8.801 7.932 2.201 1.00 11.40 C ATOM 869 C THR A 63 -7.730 8.969 2.581 1.00 34.43 C ATOM 870 O THR A 63 -6.706 8.620 3.160 1.00 14.44 O ATOM 871 CB THR A 63 -9.900 7.841 3.315 1.00 70.40 C ATOM 872 OG1 THR A 63 -10.744 6.702 3.067 1.00 43.54 O ATOM 873 CG2 THR A 63 -10.782 9.109 3.359 1.00 52.24 C ATOM 0 H THR A 63 -8.040 6.055 2.801 1.00 74.42 H new ATOM 0 HA THR A 63 -9.306 8.237 1.285 1.00 11.40 H new ATOM 0 HB THR A 63 -9.389 7.743 4.273 1.00 70.40 H new ATOM 0 HG1 THR A 63 -11.430 6.645 3.765 1.00 43.54 H new ATOM 0 HG21 THR A 63 -11.530 9.005 4.145 1.00 52.24 H new ATOM 0 HG22 THR A 63 -10.158 9.979 3.565 1.00 52.24 H new ATOM 0 HG23 THR A 63 -11.280 9.239 2.398 1.00 52.24 H new ATOM 881 N PHE A 64 -7.940 10.238 2.222 1.00 41.40 N ATOM 882 CA PHE A 64 -6.957 11.309 2.507 1.00 15.13 C ATOM 883 C PHE A 64 -7.204 11.938 3.899 1.00 52.11 C ATOM 884 O PHE A 64 -8.349 12.082 4.337 1.00 62.33 O ATOM 885 CB PHE A 64 -6.999 12.366 1.382 1.00 12.21 C ATOM 886 CG PHE A 64 -6.649 11.783 0.014 1.00 33.35 C ATOM 887 CD1 PHE A 64 -5.315 11.602 -0.359 1.00 75.34 C ATOM 888 CD2 PHE A 64 -7.643 11.389 -0.886 1.00 15.52 C ATOM 889 CE1 PHE A 64 -4.988 11.046 -1.578 1.00 42.02 C ATOM 890 CE2 PHE A 64 -7.313 10.828 -2.104 1.00 34.14 C ATOM 891 CZ PHE A 64 -5.985 10.664 -2.454 1.00 34.32 C ATOM 0 H PHE A 64 -8.777 10.557 1.734 1.00 41.40 H new ATOM 0 HA PHE A 64 -5.957 10.876 2.532 1.00 15.13 H new ATOM 0 HB2 PHE A 64 -7.995 12.808 1.341 1.00 12.21 H new ATOM 0 HB3 PHE A 64 -6.303 13.171 1.619 1.00 12.21 H new ATOM 0 HD1 PHE A 64 -4.528 11.902 0.317 1.00 75.34 H new ATOM 0 HD2 PHE A 64 -8.682 11.525 -0.626 1.00 15.52 H new ATOM 0 HE1 PHE A 64 -3.951 10.909 -1.848 1.00 42.02 H new ATOM 0 HE2 PHE A 64 -8.093 10.517 -2.784 1.00 34.14 H new ATOM 0 HZ PHE A 64 -5.728 10.237 -3.412 1.00 34.32 H new ATOM 901 N ALA A 65 -6.108 12.259 4.606 1.00 43.21 N ATOM 902 CA ALA A 65 -6.143 12.936 5.924 1.00 25.43 C ATOM 903 C ALA A 65 -4.974 13.929 6.043 1.00 71.33 C ATOM 904 O ALA A 65 -3.934 13.754 5.395 1.00 1.20 O ATOM 905 CB ALA A 65 -6.090 11.905 7.071 1.00 23.33 C ATOM 0 H ALA A 65 -5.163 12.057 4.281 1.00 43.21 H new ATOM 0 HA ALA A 65 -7.081 13.486 6.003 1.00 25.43 H new ATOM 0 HB1 ALA A 65 -6.117 12.425 8.029 1.00 23.33 H new ATOM 0 HB2 ALA A 65 -6.946 11.235 6.998 1.00 23.33 H new ATOM 0 HB3 ALA A 65 -5.169 11.326 6.998 1.00 23.33 H new ATOM 911 N ALA A 66 -5.160 14.978 6.870 1.00 12.33 N ATOM 912 CA ALA A 66 -4.124 16.008 7.131 1.00 3.33 C ATOM 913 C ALA A 66 -2.899 15.424 7.887 1.00 12.04 C ATOM 914 O ALA A 66 -1.817 16.022 7.885 1.00 11.01 O ATOM 915 CB ALA A 66 -4.747 17.178 7.914 1.00 10.22 C ATOM 0 H ALA A 66 -6.030 15.138 7.377 1.00 12.33 H new ATOM 0 HA ALA A 66 -3.756 16.371 6.171 1.00 3.33 H new ATOM 0 HB1 ALA A 66 -3.986 17.934 8.105 1.00 10.22 H new ATOM 0 HB2 ALA A 66 -5.556 17.617 7.330 1.00 10.22 H new ATOM 0 HB3 ALA A 66 -5.141 16.812 8.862 1.00 10.22 H new ATOM 921 N ASP A 67 -3.097 14.254 8.525 1.00 4.21 N ATOM 922 CA ASP A 67 -2.052 13.518 9.274 1.00 32.42 C ATOM 923 C ASP A 67 -1.749 12.131 8.624 1.00 30.42 C ATOM 924 O ASP A 67 -2.271 11.800 7.552 1.00 70.21 O ATOM 925 CB ASP A 67 -2.511 13.373 10.747 1.00 21.23 C ATOM 926 CG ASP A 67 -3.859 12.653 10.866 1.00 12.10 C ATOM 927 OD1 ASP A 67 -4.916 13.302 10.679 1.00 30.00 O ATOM 928 OD2 ASP A 67 -3.874 11.439 11.128 1.00 52.45 O ATOM 0 H ASP A 67 -4.002 13.783 8.536 1.00 4.21 H new ATOM 0 HA ASP A 67 -1.118 14.079 9.241 1.00 32.42 H new ATOM 0 HB2 ASP A 67 -1.756 12.822 11.308 1.00 21.23 H new ATOM 0 HB3 ASP A 67 -2.588 14.361 11.201 1.00 21.23 H new ATOM 933 N ASP A 68 -0.915 11.318 9.306 1.00 72.12 N ATOM 934 CA ASP A 68 -0.353 10.054 8.752 1.00 52.23 C ATOM 935 C ASP A 68 -1.222 8.793 9.037 1.00 12.41 C ATOM 936 O ASP A 68 -0.758 7.668 8.809 1.00 3.23 O ATOM 937 CB ASP A 68 1.080 9.850 9.313 1.00 73.21 C ATOM 938 CG ASP A 68 2.014 11.021 8.972 1.00 31.24 C ATOM 939 OD1 ASP A 68 2.580 11.042 7.858 1.00 72.03 O ATOM 940 OD2 ASP A 68 2.166 11.941 9.806 1.00 45.52 O ATOM 0 H ASP A 68 -0.608 11.514 10.259 1.00 72.12 H new ATOM 0 HA ASP A 68 -0.339 10.164 7.668 1.00 52.23 H new ATOM 0 HB2 ASP A 68 1.030 9.732 10.395 1.00 73.21 H new ATOM 0 HB3 ASP A 68 1.497 8.927 8.910 1.00 73.21 H new ATOM 945 N SER A 69 -2.483 8.978 9.485 1.00 0.25 N ATOM 946 CA SER A 69 -3.393 7.848 9.863 1.00 52.04 C ATOM 947 C SER A 69 -3.726 6.901 8.683 1.00 1.50 C ATOM 948 O SER A 69 -4.053 5.729 8.897 1.00 63.11 O ATOM 949 CB SER A 69 -4.715 8.385 10.465 1.00 74.44 C ATOM 950 OG SER A 69 -5.576 7.330 10.874 1.00 10.52 O ATOM 0 H SER A 69 -2.905 9.900 9.598 1.00 0.25 H new ATOM 0 HA SER A 69 -2.845 7.267 10.605 1.00 52.04 H new ATOM 0 HB2 SER A 69 -4.492 9.024 11.319 1.00 74.44 H new ATOM 0 HB3 SER A 69 -5.225 9.005 9.728 1.00 74.44 H new ATOM 0 HG SER A 69 -6.399 7.707 11.250 1.00 10.52 H new ATOM 956 N ASP A 70 -3.629 7.413 7.448 1.00 15.12 N ATOM 957 CA ASP A 70 -4.053 6.686 6.219 1.00 35.41 C ATOM 958 C ASP A 70 -2.864 6.415 5.266 1.00 52.44 C ATOM 959 O ASP A 70 -3.064 5.992 4.120 1.00 61.13 O ATOM 960 CB ASP A 70 -5.147 7.501 5.501 1.00 41.14 C ATOM 961 CG ASP A 70 -6.414 7.670 6.347 1.00 53.40 C ATOM 962 OD1 ASP A 70 -6.439 8.546 7.235 1.00 1.03 O ATOM 963 OD2 ASP A 70 -7.383 6.903 6.156 1.00 34.21 O ATOM 0 H ASP A 70 -3.255 8.343 7.261 1.00 15.12 H new ATOM 0 HA ASP A 70 -4.449 5.715 6.515 1.00 35.41 H new ATOM 0 HB2 ASP A 70 -4.752 8.484 5.246 1.00 41.14 H new ATOM 0 HB3 ASP A 70 -5.405 7.008 4.564 1.00 41.14 H new ATOM 968 N ASN A 71 -1.627 6.665 5.749 1.00 44.31 N ATOM 969 CA ASN A 71 -0.388 6.357 4.998 1.00 42.55 C ATOM 970 C ASN A 71 -0.191 4.827 4.924 1.00 10.54 C ATOM 971 O ASN A 71 -0.007 4.165 5.949 1.00 41.40 O ATOM 972 CB ASN A 71 0.833 7.053 5.657 1.00 24.42 C ATOM 973 CG ASN A 71 0.853 8.583 5.504 1.00 11.31 C ATOM 974 OD1 ASN A 71 1.914 9.189 5.465 1.00 43.43 O ATOM 975 ND2 ASN A 71 -0.303 9.236 5.407 1.00 31.23 N ATOM 0 H ASN A 71 -1.459 7.083 6.664 1.00 44.31 H new ATOM 0 HA ASN A 71 -0.477 6.741 3.982 1.00 42.55 H new ATOM 0 HB2 ASN A 71 0.847 6.806 6.719 1.00 24.42 H new ATOM 0 HB3 ASN A 71 1.746 6.645 5.223 1.00 24.42 H new ATOM 0 HD21 ASN A 71 -0.308 10.250 5.299 1.00 31.23 H new ATOM 0 HD22 ASN A 71 -1.183 8.722 5.441 1.00 31.23 H new ATOM 982 N VAL A 72 -0.227 4.289 3.699 1.00 1.25 N ATOM 983 CA VAL A 72 -0.328 2.841 3.449 1.00 2.24 C ATOM 984 C VAL A 72 1.062 2.174 3.392 1.00 41.13 C ATOM 985 O VAL A 72 1.927 2.602 2.641 1.00 51.14 O ATOM 986 CB VAL A 72 -1.123 2.580 2.113 1.00 50.10 C ATOM 987 CG1 VAL A 72 -1.191 1.078 1.746 1.00 41.33 C ATOM 988 CG2 VAL A 72 -2.540 3.178 2.220 1.00 11.31 C ATOM 0 H VAL A 72 -0.187 4.847 2.846 1.00 1.25 H new ATOM 0 HA VAL A 72 -0.870 2.392 4.282 1.00 2.24 H new ATOM 0 HB VAL A 72 -0.580 3.074 1.308 1.00 50.10 H new ATOM 0 HG11 VAL A 72 -1.749 0.955 0.818 1.00 41.33 H new ATOM 0 HG12 VAL A 72 -0.181 0.689 1.616 1.00 41.33 H new ATOM 0 HG13 VAL A 72 -1.691 0.530 2.545 1.00 41.33 H new ATOM 0 HG21 VAL A 72 -3.084 2.994 1.293 1.00 11.31 H new ATOM 0 HG22 VAL A 72 -3.070 2.711 3.050 1.00 11.31 H new ATOM 0 HG23 VAL A 72 -2.470 4.252 2.392 1.00 11.31 H new ATOM 998 N VAL A 73 1.261 1.120 4.208 1.00 54.32 N ATOM 999 CA VAL A 73 2.492 0.295 4.194 1.00 22.10 C ATOM 1000 C VAL A 73 2.118 -1.163 3.825 1.00 33.34 C ATOM 1001 O VAL A 73 1.570 -1.905 4.646 1.00 20.22 O ATOM 1002 CB VAL A 73 3.240 0.349 5.585 1.00 32.12 C ATOM 1003 CG1 VAL A 73 4.518 -0.522 5.586 1.00 34.50 C ATOM 1004 CG2 VAL A 73 3.564 1.810 5.992 1.00 34.54 C ATOM 0 H VAL A 73 0.574 0.814 4.897 1.00 54.32 H new ATOM 0 HA VAL A 73 3.178 0.696 3.448 1.00 22.10 H new ATOM 0 HB VAL A 73 2.562 -0.067 6.330 1.00 32.12 H new ATOM 0 HG11 VAL A 73 5.002 -0.457 6.560 1.00 34.50 H new ATOM 0 HG12 VAL A 73 4.252 -1.559 5.382 1.00 34.50 H new ATOM 0 HG13 VAL A 73 5.202 -0.165 4.816 1.00 34.50 H new ATOM 0 HG21 VAL A 73 4.078 1.814 6.953 1.00 34.54 H new ATOM 0 HG22 VAL A 73 4.204 2.265 5.236 1.00 34.54 H new ATOM 0 HG23 VAL A 73 2.638 2.379 6.074 1.00 34.54 H new ATOM 1014 N ILE A 74 2.391 -1.552 2.567 1.00 21.11 N ATOM 1015 CA ILE A 74 2.037 -2.885 2.030 1.00 42.03 C ATOM 1016 C ILE A 74 3.181 -3.895 2.291 1.00 24.33 C ATOM 1017 O ILE A 74 4.323 -3.661 1.905 1.00 3.32 O ATOM 1018 CB ILE A 74 1.728 -2.807 0.484 1.00 71.22 C ATOM 1019 CG1 ILE A 74 0.591 -1.761 0.207 1.00 5.53 C ATOM 1020 CG2 ILE A 74 1.358 -4.205 -0.086 1.00 33.23 C ATOM 1021 CD1 ILE A 74 0.277 -1.507 -1.260 1.00 15.33 C ATOM 0 H ILE A 74 2.864 -0.953 1.890 1.00 21.11 H new ATOM 0 HA ILE A 74 1.139 -3.227 2.544 1.00 42.03 H new ATOM 0 HB ILE A 74 2.630 -2.475 -0.029 1.00 71.22 H new ATOM 0 HG12 ILE A 74 -0.319 -2.100 0.702 1.00 5.53 H new ATOM 0 HG13 ILE A 74 0.871 -0.815 0.670 1.00 5.53 H new ATOM 0 HG21 ILE A 74 1.150 -4.120 -1.153 1.00 33.23 H new ATOM 0 HG22 ILE A 74 2.190 -4.892 0.068 1.00 33.23 H new ATOM 0 HG23 ILE A 74 0.474 -4.585 0.426 1.00 33.23 H new ATOM 0 HD11 ILE A 74 -0.522 -0.769 -1.339 1.00 15.33 H new ATOM 0 HD12 ILE A 74 1.168 -1.132 -1.763 1.00 15.33 H new ATOM 0 HD13 ILE A 74 -0.041 -2.437 -1.730 1.00 15.33 H new ATOM 1033 N HIS A 75 2.846 -5.024 2.927 1.00 74.44 N ATOM 1034 CA HIS A 75 3.811 -6.073 3.323 1.00 15.44 C ATOM 1035 C HIS A 75 3.810 -7.206 2.286 1.00 15.55 C ATOM 1036 O HIS A 75 2.746 -7.769 1.983 1.00 35.41 O ATOM 1037 CB HIS A 75 3.437 -6.651 4.712 1.00 74.25 C ATOM 1038 CG HIS A 75 3.552 -5.676 5.852 1.00 31.02 C ATOM 1039 ND1 HIS A 75 4.355 -5.897 6.949 1.00 70.43 N ATOM 1040 CD2 HIS A 75 2.956 -4.480 6.070 1.00 42.35 C ATOM 1041 CE1 HIS A 75 4.246 -4.888 7.782 1.00 31.20 C ATOM 1042 NE2 HIS A 75 3.410 -4.020 7.270 1.00 73.11 N ATOM 0 H HIS A 75 1.885 -5.244 3.188 1.00 74.44 H new ATOM 0 HA HIS A 75 4.804 -5.627 3.375 1.00 15.44 H new ATOM 0 HB2 HIS A 75 2.413 -7.022 4.672 1.00 74.25 H new ATOM 0 HB3 HIS A 75 4.079 -7.507 4.919 1.00 74.25 H new ATOM 0 HD2 HIS A 75 2.254 -3.984 5.416 1.00 42.35 H new ATOM 0 HE1 HIS A 75 4.758 -4.791 8.728 1.00 31.20 H new ATOM 0 HE2 HIS A 75 3.140 -3.136 7.702 1.00 73.11 H new ATOM 1051 N LEU A 76 4.997 -7.536 1.748 1.00 43.33 N ATOM 1052 CA LEU A 76 5.173 -8.655 0.796 1.00 31.04 C ATOM 1053 C LEU A 76 6.304 -9.578 1.280 1.00 3.53 C ATOM 1054 O LEU A 76 7.374 -9.103 1.629 1.00 74.55 O ATOM 1055 CB LEU A 76 5.531 -8.085 -0.608 1.00 4.40 C ATOM 1056 CG LEU A 76 4.530 -7.040 -1.191 1.00 45.42 C ATOM 1057 CD1 LEU A 76 5.064 -6.411 -2.491 1.00 53.43 C ATOM 1058 CD2 LEU A 76 3.127 -7.661 -1.396 1.00 1.05 C ATOM 0 H LEU A 76 5.862 -7.038 1.958 1.00 43.33 H new ATOM 0 HA LEU A 76 4.247 -9.226 0.734 1.00 31.04 H new ATOM 0 HB2 LEU A 76 6.517 -7.624 -0.552 1.00 4.40 H new ATOM 0 HB3 LEU A 76 5.608 -8.917 -1.308 1.00 4.40 H new ATOM 0 HG LEU A 76 4.431 -6.237 -0.460 1.00 45.42 H new ATOM 0 HD11 LEU A 76 4.341 -5.688 -2.869 1.00 53.43 H new ATOM 0 HD12 LEU A 76 6.010 -5.908 -2.290 1.00 53.43 H new ATOM 0 HD13 LEU A 76 5.220 -7.192 -3.236 1.00 53.43 H new ATOM 0 HD21 LEU A 76 2.452 -6.908 -1.803 1.00 1.05 H new ATOM 0 HD22 LEU A 76 3.198 -8.499 -2.090 1.00 1.05 H new ATOM 0 HD23 LEU A 76 2.742 -8.014 -0.439 1.00 1.05 H new ATOM 1070 N LYS A 77 6.089 -10.893 1.242 1.00 2.53 N ATOM 1071 CA LYS A 77 7.134 -11.884 1.601 1.00 52.42 C ATOM 1072 C LYS A 77 7.729 -12.498 0.333 1.00 52.22 C ATOM 1073 O LYS A 77 7.256 -12.239 -0.769 1.00 12.32 O ATOM 1074 CB LYS A 77 6.561 -13.002 2.514 1.00 55.13 C ATOM 1075 CG LYS A 77 5.467 -13.887 1.857 1.00 71.41 C ATOM 1076 CD LYS A 77 5.031 -15.073 2.755 1.00 22.35 C ATOM 1077 CE LYS A 77 4.444 -14.619 4.100 1.00 34.41 C ATOM 1078 NZ LYS A 77 4.164 -15.766 5.001 1.00 72.13 N ATOM 0 H LYS A 77 5.200 -11.310 0.966 1.00 2.53 H new ATOM 0 HA LYS A 77 7.917 -11.365 2.154 1.00 52.42 H new ATOM 0 HB2 LYS A 77 7.381 -13.643 2.836 1.00 55.13 H new ATOM 0 HB3 LYS A 77 6.145 -12.541 3.410 1.00 55.13 H new ATOM 0 HG2 LYS A 77 4.597 -13.271 1.629 1.00 71.41 H new ATOM 0 HG3 LYS A 77 5.841 -14.274 0.909 1.00 71.41 H new ATOM 0 HD2 LYS A 77 4.290 -15.671 2.224 1.00 22.35 H new ATOM 0 HD3 LYS A 77 5.890 -15.719 2.938 1.00 22.35 H new ATOM 0 HE2 LYS A 77 5.140 -13.937 4.588 1.00 34.41 H new ATOM 0 HE3 LYS A 77 3.523 -14.063 3.924 1.00 34.41 H new ATOM 0 HZ1 LYS A 77 3.769 -15.415 5.897 1.00 72.13 H new ATOM 0 HZ2 LYS A 77 3.480 -16.405 4.548 1.00 72.13 H new ATOM 0 HZ3 LYS A 77 5.047 -16.282 5.190 1.00 72.13 H new ATOM 1092 N HIS A 78 8.784 -13.296 0.486 1.00 32.25 N ATOM 1093 CA HIS A 78 9.338 -14.083 -0.631 1.00 12.02 C ATOM 1094 C HIS A 78 8.620 -15.441 -0.723 1.00 3.34 C ATOM 1095 O HIS A 78 8.278 -16.026 0.311 1.00 3.11 O ATOM 1096 CB HIS A 78 10.855 -14.283 -0.434 1.00 30.15 C ATOM 1097 CG HIS A 78 11.634 -12.993 -0.374 1.00 12.33 C ATOM 1098 ND1 HIS A 78 12.881 -12.894 0.187 1.00 11.13 N ATOM 1099 CD2 HIS A 78 11.328 -11.743 -0.798 1.00 43.33 C ATOM 1100 CE1 HIS A 78 13.303 -11.657 0.105 1.00 1.15 C ATOM 1101 NE2 HIS A 78 12.380 -10.931 -0.484 1.00 50.22 N ATOM 0 H HIS A 78 9.277 -13.420 1.370 1.00 32.25 H new ATOM 0 HA HIS A 78 9.179 -13.542 -1.564 1.00 12.02 H new ATOM 0 HB2 HIS A 78 11.022 -14.841 0.487 1.00 30.15 H new ATOM 0 HB3 HIS A 78 11.241 -14.893 -1.251 1.00 30.15 H new ATOM 0 HD2 HIS A 78 10.417 -11.443 -1.294 1.00 43.33 H new ATOM 0 HE1 HIS A 78 14.255 -11.293 0.463 1.00 1.15 H new ATOM 0 HE2 HIS A 78 12.439 -9.931 -0.674 1.00 50.22 H new ATOM 1110 N GLY A 79 8.384 -15.917 -1.963 1.00 70.25 N ATOM 1111 CA GLY A 79 7.900 -17.283 -2.198 1.00 72.04 C ATOM 1112 C GLY A 79 8.858 -18.318 -1.602 1.00 32.50 C ATOM 1113 O GLY A 79 10.014 -18.389 -2.030 1.00 51.22 O ATOM 0 H GLY A 79 8.522 -15.371 -2.814 1.00 70.25 H new ATOM 0 HA2 GLY A 79 6.911 -17.402 -1.757 1.00 72.04 H new ATOM 0 HA3 GLY A 79 7.794 -17.455 -3.269 1.00 72.04 H new ATOM 1117 N LEU A 80 8.374 -19.097 -0.607 1.00 1.34 N ATOM 1118 CA LEU A 80 9.239 -19.892 0.304 1.00 41.14 C ATOM 1119 C LEU A 80 9.947 -21.076 -0.419 1.00 54.45 C ATOM 1120 O LEU A 80 9.435 -22.195 -0.429 1.00 43.33 O ATOM 1121 CB LEU A 80 8.442 -20.393 1.557 1.00 3.01 C ATOM 1122 CG LEU A 80 7.869 -19.301 2.541 1.00 53.43 C ATOM 1123 CD1 LEU A 80 8.959 -18.293 2.977 1.00 75.11 C ATOM 1124 CD2 LEU A 80 6.624 -18.577 1.966 1.00 22.21 C ATOM 0 H LEU A 80 7.378 -19.194 -0.411 1.00 1.34 H new ATOM 0 HA LEU A 80 10.025 -19.219 0.647 1.00 41.14 H new ATOM 0 HB2 LEU A 80 7.607 -20.999 1.204 1.00 3.01 H new ATOM 0 HB3 LEU A 80 9.095 -21.052 2.129 1.00 3.01 H new ATOM 0 HG LEU A 80 7.538 -19.834 3.432 1.00 53.43 H new ATOM 0 HD11 LEU A 80 8.524 -17.557 3.654 1.00 75.11 H new ATOM 0 HD12 LEU A 80 9.763 -18.824 3.486 1.00 75.11 H new ATOM 0 HD13 LEU A 80 9.358 -17.786 2.098 1.00 75.11 H new ATOM 0 HD21 LEU A 80 6.270 -17.836 2.683 1.00 22.21 H new ATOM 0 HD22 LEU A 80 6.890 -18.080 1.033 1.00 22.21 H new ATOM 0 HD23 LEU A 80 5.835 -19.305 1.777 1.00 22.21 H new