USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 639 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 78 GLN : amide:sc= -1.27 X(o=-5,f=-5.4) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -3.71! C(o=-5!,f=-4.2!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0.854 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 165:sc= 0.383 (180deg=-0.678) USER MOD Single : A 21 MET CE :methyl 168:sc= 0 (180deg=-0.0849) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.38 K(o=-2.4,f=-4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.563 K(o=0.56,f=-1.5!) USER MOD Single : A 43 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.71) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.32! C(o=-2.3!,f=-2.9!) USER MOD Single : A 57 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.32) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.853 K(o=-0.85,f=-3.2) USER MOD Single : A 64 MET CE :methyl 178:sc= -0.981 (180deg=-0.986) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.2) USER MOD Single : A 89 SER OG : rot -20:sc= 0.342! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 8.808 -4.665 -2.224 1.00 0.00 N ATOM 2 CA MET A 21 7.803 -4.098 -1.332 1.00 52.33 C ATOM 3 C MET A 21 7.362 -2.721 -1.817 1.00 63.31 C ATOM 4 O MET A 21 6.237 -2.294 -1.562 1.00 71.25 O ATOM 5 CB MET A 21 8.351 -3.999 0.093 1.00 2.52 C ATOM 6 CG MET A 21 9.750 -3.408 0.167 1.00 60.21 C ATOM 7 SD MET A 21 10.997 -4.631 0.614 1.00 13.12 S ATOM 8 CE MET A 21 11.988 -4.665 -0.877 1.00 51.14 C ATOM 0 HA MET A 21 6.937 -4.760 -1.334 1.00 52.33 H new ATOM 0 HB2 MET A 21 7.675 -3.388 0.692 1.00 2.52 H new ATOM 0 HB3 MET A 21 8.362 -4.993 0.539 1.00 2.52 H new ATOM 0 HG2 MET A 21 10.006 -2.969 -0.797 1.00 60.21 H new ATOM 0 HG3 MET A 21 9.761 -2.600 0.898 1.00 60.21 H new ATOM 0 HE1 MET A 21 12.914 -5.207 -0.686 1.00 51.14 H new ATOM 0 HE2 MET A 21 11.433 -5.163 -1.672 1.00 51.14 H new ATOM 0 HE3 MET A 21 12.221 -3.645 -1.182 1.00 51.14 H new ATOM 18 N ILE A 22 8.258 -2.030 -2.516 1.00 72.20 N ATOM 19 CA ILE A 22 7.960 -0.701 -3.036 1.00 74.31 C ATOM 20 C ILE A 22 8.143 -0.649 -4.549 1.00 3.25 C ATOM 21 O ILE A 22 9.268 -0.628 -5.048 1.00 53.33 O ATOM 22 CB ILE A 22 8.853 0.371 -2.385 1.00 25.52 C ATOM 23 CG1 ILE A 22 8.859 0.207 -0.864 1.00 4.05 C ATOM 24 CG2 ILE A 22 8.376 1.763 -2.770 1.00 31.33 C ATOM 25 CD1 ILE A 22 7.494 0.376 -0.232 1.00 51.51 C ATOM 0 H ILE A 22 9.195 -2.369 -2.735 1.00 72.20 H new ATOM 0 HA ILE A 22 6.919 -0.492 -2.791 1.00 74.31 H new ATOM 0 HB ILE A 22 9.872 0.243 -2.750 1.00 25.52 H new ATOM 0 HG12 ILE A 22 9.246 -0.781 -0.615 1.00 4.05 H new ATOM 0 HG13 ILE A 22 9.544 0.936 -0.431 1.00 4.05 H new ATOM 0 HG21 ILE A 22 9.017 2.510 -2.302 1.00 31.33 H new ATOM 0 HG22 ILE A 22 8.419 1.876 -3.853 1.00 31.33 H new ATOM 0 HG23 ILE A 22 7.350 1.903 -2.431 1.00 31.33 H new ATOM 0 HD11 ILE A 22 7.574 0.246 0.847 1.00 51.51 H new ATOM 0 HD12 ILE A 22 7.113 1.374 -0.450 1.00 51.51 H new ATOM 0 HD13 ILE A 22 6.811 -0.370 -0.637 1.00 51.51 H new ATOM 37 N SER A 23 7.029 -0.628 -5.274 1.00 14.52 N ATOM 38 CA SER A 23 7.067 -0.580 -6.731 1.00 24.41 C ATOM 39 C SER A 23 6.132 0.502 -7.264 1.00 72.30 C ATOM 40 O SER A 23 4.914 0.332 -7.280 1.00 61.10 O ATOM 41 CB SER A 23 6.679 -1.939 -7.317 1.00 15.33 C ATOM 42 OG SER A 23 5.726 -2.594 -6.498 1.00 3.43 O ATOM 0 H SER A 23 6.090 -0.643 -4.877 1.00 14.52 H new ATOM 0 HA SER A 23 8.085 -0.338 -7.036 1.00 24.41 H new ATOM 0 HB2 SER A 23 6.271 -1.804 -8.318 1.00 15.33 H new ATOM 0 HB3 SER A 23 7.567 -2.563 -7.417 1.00 15.33 H new ATOM 0 HG SER A 23 5.493 -3.459 -6.895 1.00 3.43 H new ATOM 48 N GLY A 24 6.712 1.616 -7.699 1.00 24.14 N ATOM 49 CA GLY A 24 5.917 2.710 -8.226 1.00 51.04 C ATOM 50 C GLY A 24 6.690 4.013 -8.284 1.00 72.32 C ATOM 51 O GLY A 24 7.906 4.014 -8.482 1.00 12.03 O ATOM 0 H GLY A 24 7.719 1.781 -7.696 1.00 24.14 H new ATOM 0 HA2 GLY A 24 5.569 2.453 -9.226 1.00 51.04 H new ATOM 0 HA3 GLY A 24 5.031 2.844 -7.605 1.00 51.04 H new ATOM 55 N LEU A 25 5.985 5.125 -8.113 1.00 31.11 N ATOM 56 CA LEU A 25 6.612 6.442 -8.148 1.00 21.41 C ATOM 57 C LEU A 25 5.751 7.474 -7.428 1.00 34.34 C ATOM 58 O LEU A 25 4.539 7.303 -7.295 1.00 44.25 O ATOM 59 CB LEU A 25 6.847 6.877 -9.596 1.00 14.10 C ATOM 60 CG LEU A 25 5.607 6.941 -10.487 1.00 4.43 C ATOM 61 CD1 LEU A 25 5.142 8.379 -10.653 1.00 51.30 C ATOM 62 CD2 LEU A 25 5.892 6.312 -11.843 1.00 33.24 C ATOM 0 H LEU A 25 4.978 5.142 -7.949 1.00 31.11 H new ATOM 0 HA LEU A 25 7.571 6.375 -7.635 1.00 21.41 H new ATOM 0 HB2 LEU A 25 7.315 7.862 -9.587 1.00 14.10 H new ATOM 0 HB3 LEU A 25 7.561 6.189 -10.050 1.00 14.10 H new ATOM 0 HG LEU A 25 4.809 6.376 -10.006 1.00 4.43 H new ATOM 0 HD11 LEU A 25 4.258 8.404 -11.290 1.00 51.30 H new ATOM 0 HD12 LEU A 25 4.897 8.797 -9.677 1.00 51.30 H new ATOM 0 HD13 LEU A 25 5.937 8.968 -11.111 1.00 51.30 H new ATOM 0 HD21 LEU A 25 4.998 6.366 -12.464 1.00 33.24 H new ATOM 0 HD22 LEU A 25 6.706 6.850 -12.330 1.00 33.24 H new ATOM 0 HD23 LEU A 25 6.177 5.269 -11.707 1.00 33.24 H new ATOM 74 N ARG A 26 6.385 8.547 -6.966 1.00 43.30 N ATOM 75 CA ARG A 26 5.677 9.609 -6.261 1.00 70.54 C ATOM 76 C ARG A 26 4.898 10.485 -7.237 1.00 71.23 C ATOM 77 O ARG A 26 5.017 10.336 -8.454 1.00 53.32 O ATOM 78 CB ARG A 26 6.663 10.465 -5.464 1.00 60.41 C ATOM 79 CG ARG A 26 6.623 10.204 -3.967 1.00 35.33 C ATOM 80 CD ARG A 26 7.469 8.998 -3.589 1.00 33.14 C ATOM 81 NE ARG A 26 7.936 9.069 -2.206 1.00 43.10 N ATOM 82 CZ ARG A 26 8.925 9.859 -1.805 1.00 51.43 C ATOM 83 NH1 ARG A 26 9.546 10.643 -2.675 1.00 64.12 N ATOM 84 NH2 ARG A 26 9.293 9.867 -0.530 1.00 24.53 N ATOM 0 H ARG A 26 7.388 8.704 -7.067 1.00 43.30 H new ATOM 0 HA ARG A 26 4.970 9.146 -5.573 1.00 70.54 H new ATOM 0 HB2 ARG A 26 7.672 10.278 -5.830 1.00 60.41 H new ATOM 0 HB3 ARG A 26 6.448 11.518 -5.647 1.00 60.41 H new ATOM 0 HG2 ARG A 26 6.983 11.084 -3.433 1.00 35.33 H new ATOM 0 HG3 ARG A 26 5.592 10.040 -3.653 1.00 35.33 H new ATOM 0 HD2 ARG A 26 6.886 8.088 -3.728 1.00 33.14 H new ATOM 0 HD3 ARG A 26 8.327 8.933 -4.258 1.00 33.14 H new ATOM 0 HE ARG A 26 7.477 8.480 -1.511 1.00 43.10 H new ATOM 0 HH11 ARG A 26 9.264 10.640 -3.655 1.00 64.12 H new ATOM 0 HH12 ARG A 26 10.305 11.249 -2.364 1.00 64.12 H new ATOM 0 HH21 ARG A 26 8.816 9.266 0.142 1.00 24.53 H new ATOM 0 HH22 ARG A 26 10.053 10.474 -0.222 1.00 24.53 H new ATOM 98 N THR A 27 4.101 11.400 -6.696 1.00 74.20 N ATOM 99 CA THR A 27 3.301 12.300 -7.518 1.00 3.15 C ATOM 100 C THR A 27 3.550 13.756 -7.141 1.00 11.44 C ATOM 101 O THR A 27 4.348 14.050 -6.250 1.00 13.24 O ATOM 102 CB THR A 27 1.797 11.996 -7.383 1.00 64.45 C ATOM 103 OG1 THR A 27 1.410 12.037 -6.005 1.00 75.14 O ATOM 104 CG2 THR A 27 1.466 10.631 -7.968 1.00 62.34 C ATOM 0 H THR A 27 3.992 11.538 -5.691 1.00 74.20 H new ATOM 0 HA THR A 27 3.605 12.138 -8.552 1.00 3.15 H new ATOM 0 HB THR A 27 1.245 12.755 -7.937 1.00 64.45 H new ATOM 0 HG1 THR A 27 0.452 11.844 -5.928 1.00 75.14 H new ATOM 0 HG21 THR A 27 0.398 10.438 -7.861 1.00 62.34 H new ATOM 0 HG22 THR A 27 1.734 10.613 -9.024 1.00 62.34 H new ATOM 0 HG23 THR A 27 2.028 9.862 -7.438 1.00 62.34 H new ATOM 112 N LEU A 28 2.861 14.665 -7.823 1.00 61.05 N ATOM 113 CA LEU A 28 3.007 16.091 -7.560 1.00 24.32 C ATOM 114 C LEU A 28 1.961 16.896 -8.324 1.00 71.42 C ATOM 115 O LEU A 28 1.178 16.340 -9.094 1.00 42.34 O ATOM 116 CB LEU A 28 4.410 16.561 -7.946 1.00 1.20 C ATOM 117 CG LEU A 28 4.925 16.089 -9.306 1.00 31.40 C ATOM 118 CD1 LEU A 28 5.299 17.279 -10.177 1.00 43.04 C ATOM 119 CD2 LEU A 28 6.116 15.158 -9.131 1.00 12.14 C ATOM 0 H LEU A 28 2.196 14.439 -8.562 1.00 61.05 H new ATOM 0 HA LEU A 28 2.857 16.255 -6.493 1.00 24.32 H new ATOM 0 HB2 LEU A 28 4.423 17.651 -7.933 1.00 1.20 H new ATOM 0 HB3 LEU A 28 5.108 16.225 -7.179 1.00 1.20 H new ATOM 0 HG LEU A 28 4.128 15.537 -9.804 1.00 31.40 H new ATOM 0 HD11 LEU A 28 5.663 16.924 -11.141 1.00 43.04 H new ATOM 0 HD12 LEU A 28 4.422 17.908 -10.330 1.00 43.04 H new ATOM 0 HD13 LEU A 28 6.080 17.859 -9.685 1.00 43.04 H new ATOM 0 HD21 LEU A 28 6.470 14.832 -10.109 1.00 12.14 H new ATOM 0 HD22 LEU A 28 6.917 15.685 -8.613 1.00 12.14 H new ATOM 0 HD23 LEU A 28 5.816 14.289 -8.545 1.00 12.14 H new ATOM 131 N GLU A 29 1.955 18.208 -8.108 1.00 71.21 N ATOM 132 CA GLU A 29 1.006 19.088 -8.777 1.00 54.42 C ATOM 133 C GLU A 29 -0.387 18.466 -8.807 1.00 50.35 C ATOM 134 O GLU A 29 -1.114 18.593 -9.791 1.00 23.30 O ATOM 135 CB GLU A 29 1.473 19.387 -10.204 1.00 64.24 C ATOM 136 CG GLU A 29 1.477 18.168 -11.110 1.00 53.41 C ATOM 137 CD GLU A 29 1.520 18.535 -12.581 1.00 22.11 C ATOM 138 OE1 GLU A 29 0.675 19.346 -13.016 1.00 0.41 O ATOM 139 OE2 GLU A 29 2.398 18.011 -13.299 1.00 22.55 O ATOM 0 H GLU A 29 2.597 18.684 -7.475 1.00 71.21 H new ATOM 0 HA GLU A 29 0.956 20.020 -8.214 1.00 54.42 H new ATOM 0 HB2 GLU A 29 0.825 20.149 -10.637 1.00 64.24 H new ATOM 0 HB3 GLU A 29 2.479 19.806 -10.168 1.00 64.24 H new ATOM 0 HG2 GLU A 29 2.338 17.544 -10.870 1.00 53.41 H new ATOM 0 HG3 GLU A 29 0.586 17.571 -10.914 1.00 53.41 H new ATOM 146 N GLN A 30 -0.750 17.792 -7.720 1.00 11.21 N ATOM 147 CA GLN A 30 -2.055 17.149 -7.621 1.00 53.41 C ATOM 148 C GLN A 30 -2.846 17.700 -6.440 1.00 1.24 C ATOM 149 O GLN A 30 -2.272 18.074 -5.416 1.00 70.32 O ATOM 150 CB GLN A 30 -1.890 15.634 -7.477 1.00 14.42 C ATOM 151 CG GLN A 30 -3.180 14.914 -7.120 1.00 43.14 C ATOM 152 CD GLN A 30 -3.066 13.409 -7.264 1.00 14.25 C ATOM 153 OE1 GLN A 30 -3.119 12.873 -8.370 1.00 75.34 O ATOM 154 NE2 GLN A 30 -2.909 12.717 -6.140 1.00 41.52 N ATOM 0 H GLN A 30 -0.159 17.677 -6.896 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.608 17.363 -8.536 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -1.504 15.228 -8.412 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.145 15.429 -6.709 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -3.456 15.157 -6.094 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -3.984 15.277 -7.761 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -2.870 13.202 -5.244 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -2.827 11.701 -6.174 1.00 41.52 H new ATOM 163 N SER A 31 -4.165 17.748 -6.588 1.00 15.30 N ATOM 164 CA SER A 31 -5.035 18.258 -5.535 1.00 20.14 C ATOM 165 C SER A 31 -6.058 17.205 -5.116 1.00 72.11 C ATOM 166 O SER A 31 -5.964 16.042 -5.510 1.00 2.02 O ATOM 167 CB SER A 31 -5.754 19.524 -6.005 1.00 15.13 C ATOM 168 OG SER A 31 -5.519 20.604 -5.117 1.00 35.43 O ATOM 0 H SER A 31 -4.656 17.440 -7.428 1.00 15.30 H new ATOM 0 HA SER A 31 -4.414 18.500 -4.672 1.00 20.14 H new ATOM 0 HB2 SER A 31 -5.412 19.790 -7.005 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.825 19.333 -6.075 1.00 15.13 H new ATOM 0 HG SER A 31 -5.988 21.401 -5.441 1.00 35.43 H new ATOM 174 N VAL A 32 -7.034 17.622 -4.317 1.00 21.10 N ATOM 175 CA VAL A 32 -8.075 16.716 -3.845 1.00 5.34 C ATOM 176 C VAL A 32 -8.828 16.089 -5.013 1.00 4.34 C ATOM 177 O VAL A 32 -8.897 14.867 -5.136 1.00 0.24 O ATOM 178 CB VAL A 32 -9.079 17.443 -2.932 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.179 16.492 -2.484 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.367 18.050 -1.733 1.00 3.55 C ATOM 0 H VAL A 32 -7.126 18.581 -3.983 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.578 15.932 -3.274 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.539 18.252 -3.499 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -10.879 17.023 -1.840 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.708 16.110 -3.357 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.739 15.660 -1.934 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.092 18.560 -1.099 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -7.878 17.261 -1.162 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.620 18.765 -2.077 1.00 3.55 H new ATOM 190 N GLY A 33 -9.391 16.936 -5.870 1.00 71.41 N ATOM 191 CA GLY A 33 -10.131 16.446 -7.018 1.00 1.03 C ATOM 192 C GLY A 33 -9.321 15.481 -7.862 1.00 4.54 C ATOM 193 O GLY A 33 -9.718 14.332 -8.054 1.00 23.33 O ATOM 0 H GLY A 33 -9.348 17.952 -5.790 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.040 15.950 -6.676 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.441 17.290 -7.634 1.00 1.03 H new ATOM 197 N GLU A 34 -8.185 15.949 -8.367 1.00 14.20 N ATOM 198 CA GLU A 34 -7.319 15.120 -9.198 1.00 2.12 C ATOM 199 C GLU A 34 -6.962 13.820 -8.481 1.00 53.45 C ATOM 200 O GLU A 34 -7.062 12.735 -9.055 1.00 72.43 O ATOM 201 CB GLU A 34 -6.043 15.880 -9.562 1.00 30.02 C ATOM 202 CG GLU A 34 -4.959 14.999 -10.160 1.00 30.44 C ATOM 203 CD GLU A 34 -5.446 14.208 -11.358 1.00 41.34 C ATOM 204 OE1 GLU A 34 -6.334 14.707 -12.080 1.00 3.31 O ATOM 205 OE2 GLU A 34 -4.936 13.088 -11.575 1.00 13.54 O ATOM 0 H GLU A 34 -7.842 16.898 -8.216 1.00 14.20 H new ATOM 0 HA GLU A 34 -7.860 14.876 -10.112 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.290 16.669 -10.272 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.652 16.366 -8.668 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.115 15.620 -10.458 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -4.594 14.310 -9.398 1.00 30.44 H new ATOM 212 N TRP A 35 -6.545 13.939 -7.226 1.00 34.44 N ATOM 213 CA TRP A 35 -6.173 12.774 -6.431 1.00 74.51 C ATOM 214 C TRP A 35 -7.287 11.733 -6.436 1.00 42.13 C ATOM 215 O TRP A 35 -7.062 10.571 -6.779 1.00 42.12 O ATOM 216 CB TRP A 35 -5.854 13.191 -4.995 1.00 72.25 C ATOM 217 CG TRP A 35 -5.645 12.030 -4.071 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.021 10.852 -4.364 1.00 34.01 C ATOM 219 CD2 TRP A 35 -6.062 11.937 -2.704 1.00 43.01 C ATOM 220 NE1 TRP A 35 -5.026 10.030 -3.263 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.657 10.673 -2.231 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.736 12.797 -1.834 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.907 10.252 -0.928 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.983 12.377 -0.541 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.568 11.115 -0.097 1.00 53.30 C ATOM 0 H TRP A 35 -6.456 14.830 -6.737 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.284 12.329 -6.878 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -4.958 13.812 -4.995 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.668 13.807 -4.614 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.587 10.603 -5.321 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.625 9.093 -3.221 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -7.058 13.773 -2.166 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.590 9.278 -0.585 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.505 13.033 0.139 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.774 10.817 0.921 1.00 53.30 H new ATOM 236 N LEU A 36 -8.486 12.155 -6.054 1.00 32.21 N ATOM 237 CA LEU A 36 -9.636 11.257 -6.015 1.00 63.31 C ATOM 238 C LEU A 36 -10.018 10.801 -7.419 1.00 40.04 C ATOM 239 O LEU A 36 -10.556 9.708 -7.601 1.00 0.32 O ATOM 240 CB LEU A 36 -10.826 11.951 -5.350 1.00 64.11 C ATOM 241 CG LEU A 36 -10.607 12.435 -3.917 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.553 13.580 -3.589 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.793 11.289 -2.933 1.00 61.13 C ATOM 0 H LEU A 36 -8.688 13.113 -5.767 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.362 10.379 -5.430 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.110 12.807 -5.962 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.671 11.262 -5.354 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.584 12.800 -3.830 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.382 13.911 -2.565 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.372 14.409 -4.273 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.584 13.242 -3.694 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.633 11.652 -1.918 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.805 10.894 -3.022 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.074 10.500 -3.154 1.00 61.13 H new ATOM 255 N GLU A 37 -9.735 11.642 -8.408 1.00 14.23 N ATOM 256 CA GLU A 37 -10.049 11.324 -9.796 1.00 44.15 C ATOM 257 C GLU A 37 -9.195 10.161 -10.293 1.00 3.12 C ATOM 258 O GLU A 37 -9.608 9.402 -11.170 1.00 3.23 O ATOM 259 CB GLU A 37 -9.830 12.549 -10.687 1.00 0.32 C ATOM 260 CG GLU A 37 -11.107 13.082 -11.314 1.00 25.55 C ATOM 261 CD GLU A 37 -11.112 12.957 -12.825 1.00 54.15 C ATOM 262 OE1 GLU A 37 -10.049 13.182 -13.441 1.00 22.41 O ATOM 263 OE2 GLU A 37 -12.177 12.635 -13.391 1.00 72.55 O ATOM 0 H GLU A 37 -9.289 12.549 -8.274 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.098 11.031 -9.846 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.368 13.340 -10.096 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.127 12.291 -11.479 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -11.961 12.541 -10.906 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.232 14.129 -11.040 1.00 25.55 H new ATOM 270 N SER A 38 -7.999 10.028 -9.726 1.00 41.52 N ATOM 271 CA SER A 38 -7.085 8.961 -10.114 1.00 43.50 C ATOM 272 C SER A 38 -7.583 7.609 -9.613 1.00 44.21 C ATOM 273 O SER A 38 -7.221 6.562 -10.153 1.00 32.52 O ATOM 274 CB SER A 38 -5.684 9.237 -9.564 1.00 63.23 C ATOM 275 OG SER A 38 -4.692 8.606 -10.355 1.00 32.02 O ATOM 0 H SER A 38 -7.642 10.646 -8.997 1.00 41.52 H new ATOM 0 HA SER A 38 -7.042 8.931 -11.203 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.505 10.312 -9.540 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.616 8.879 -8.537 1.00 63.23 H new ATOM 0 HG SER A 38 -3.806 8.799 -9.984 1.00 32.02 H new ATOM 281 N ILE A 39 -8.415 7.639 -8.578 1.00 24.35 N ATOM 282 CA ILE A 39 -8.964 6.417 -8.003 1.00 60.42 C ATOM 283 C ILE A 39 -10.422 6.226 -8.408 1.00 1.15 C ATOM 284 O ILE A 39 -10.956 5.120 -8.338 1.00 3.33 O ATOM 285 CB ILE A 39 -8.866 6.423 -6.466 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.712 7.556 -5.884 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.415 6.560 -6.029 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.832 7.508 -4.377 1.00 5.35 C ATOM 0 H ILE A 39 -8.724 8.496 -8.120 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.370 5.591 -8.393 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.252 5.476 -6.088 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.275 8.511 -6.175 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.710 7.515 -6.321 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.362 6.563 -4.940 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.837 5.722 -6.419 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -7.005 7.494 -6.415 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.445 8.341 -4.034 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.297 6.568 -4.079 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.840 7.580 -3.931 1.00 5.35 H new ATOM 300 N GLY A 40 -11.059 7.313 -8.832 1.00 71.22 N ATOM 301 CA GLY A 40 -12.449 7.244 -9.244 1.00 52.30 C ATOM 302 C GLY A 40 -13.403 7.620 -8.128 1.00 71.13 C ATOM 303 O GLY A 40 -14.569 7.222 -8.137 1.00 33.14 O ATOM 0 H GLY A 40 -10.638 8.240 -8.898 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.607 7.910 -10.093 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.674 6.234 -9.585 1.00 52.30 H new ATOM 307 N LEU A 41 -12.909 8.386 -7.162 1.00 43.40 N ATOM 308 CA LEU A 41 -13.726 8.815 -6.031 1.00 52.32 C ATOM 309 C LEU A 41 -13.898 10.331 -6.027 1.00 52.54 C ATOM 310 O LEU A 41 -14.361 10.908 -5.045 1.00 74.32 O ATOM 311 CB LEU A 41 -13.091 8.358 -4.716 1.00 71.33 C ATOM 312 CG LEU A 41 -14.062 8.025 -3.583 1.00 41.42 C ATOM 313 CD1 LEU A 41 -14.025 6.539 -3.268 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.733 8.844 -2.343 1.00 14.14 C ATOM 0 H LEU A 41 -11.947 8.723 -7.139 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.710 8.357 -6.131 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.482 7.477 -4.917 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -12.415 9.140 -4.371 1.00 71.33 H new ATOM 0 HG LEU A 41 -15.071 8.281 -3.907 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -14.722 6.321 -2.459 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -14.309 5.972 -4.155 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -13.017 6.257 -2.964 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -14.434 8.595 -1.546 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -12.718 8.619 -2.017 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -13.812 9.906 -2.577 1.00 14.14 H new ATOM 326 N GLN A 42 -13.523 10.966 -7.132 1.00 45.22 N ATOM 327 CA GLN A 42 -13.637 12.415 -7.256 1.00 5.41 C ATOM 328 C GLN A 42 -15.065 12.874 -6.980 1.00 10.21 C ATOM 329 O GLN A 42 -15.294 14.022 -6.602 1.00 21.41 O ATOM 330 CB GLN A 42 -13.206 12.864 -8.653 1.00 41.24 C ATOM 331 CG GLN A 42 -12.737 14.310 -8.710 1.00 13.20 C ATOM 332 CD GLN A 42 -13.645 15.185 -9.550 1.00 4.11 C ATOM 333 OE1 GLN A 42 -13.253 15.664 -10.614 1.00 55.42 O ATOM 334 NE2 GLN A 42 -14.866 15.399 -9.075 1.00 33.04 N ATOM 0 H GLN A 42 -13.138 10.501 -7.954 1.00 45.22 H new ATOM 0 HA GLN A 42 -12.979 12.871 -6.516 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.402 12.216 -9.002 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.041 12.734 -9.341 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.686 14.712 -7.698 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.727 14.344 -9.118 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -15.149 14.982 -8.188 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -15.522 15.981 -9.597 1.00 33.04 H new ATOM 343 N GLN A 43 -16.020 11.968 -7.170 1.00 23.01 N ATOM 344 CA GLN A 43 -17.425 12.282 -6.942 1.00 42.31 C ATOM 345 C GLN A 43 -17.679 12.605 -5.474 1.00 31.15 C ATOM 346 O GLN A 43 -18.525 13.439 -5.148 1.00 2.15 O ATOM 347 CB GLN A 43 -18.308 11.112 -7.379 1.00 30.54 C ATOM 348 CG GLN A 43 -18.049 9.831 -6.601 1.00 13.14 C ATOM 349 CD GLN A 43 -17.854 8.629 -7.505 1.00 4.30 C ATOM 350 OE1 GLN A 43 -18.426 8.556 -8.593 1.00 75.43 O ATOM 351 NE2 GLN A 43 -17.044 7.677 -7.057 1.00 32.55 N ATOM 0 H GLN A 43 -15.846 11.012 -7.481 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.676 13.160 -7.537 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.354 11.394 -7.261 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.146 10.922 -8.440 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.163 9.961 -5.979 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -18.886 9.643 -5.928 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -16.591 7.779 -6.149 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -16.875 6.844 -7.621 1.00 32.55 H new ATOM 360 N TYR A 44 -16.943 11.940 -4.591 1.00 53.33 N ATOM 361 CA TYR A 44 -17.091 12.155 -3.156 1.00 21.31 C ATOM 362 C TYR A 44 -16.197 13.296 -2.681 1.00 21.55 C ATOM 363 O TYR A 44 -16.064 13.538 -1.482 1.00 1.25 O ATOM 364 CB TYR A 44 -16.752 10.875 -2.390 1.00 62.50 C ATOM 365 CG TYR A 44 -17.937 10.267 -1.673 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.798 11.056 -0.921 1.00 40.54 C ATOM 367 CD2 TYR A 44 -18.196 8.904 -1.750 1.00 74.53 C ATOM 368 CE1 TYR A 44 -19.881 10.506 -0.263 1.00 14.14 C ATOM 369 CE2 TYR A 44 -19.278 8.345 -1.097 1.00 74.14 C ATOM 370 CZ TYR A 44 -20.118 9.149 -0.356 1.00 22.33 C ATOM 371 OH TYR A 44 -21.196 8.596 0.297 1.00 21.24 O ATOM 0 H TYR A 44 -16.238 11.248 -4.843 1.00 53.33 H new ATOM 0 HA TYR A 44 -18.129 12.425 -2.960 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.344 10.142 -3.086 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.970 11.093 -1.662 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.618 12.118 -0.849 1.00 40.54 H new ATOM 0 HD2 TYR A 44 -17.541 8.271 -2.330 1.00 74.53 H new ATOM 0 HE1 TYR A 44 -20.538 11.134 0.321 1.00 14.14 H new ATOM 0 HE2 TYR A 44 -19.465 7.284 -1.167 1.00 74.14 H new ATOM 0 HH TYR A 44 -21.221 7.631 0.128 1.00 21.24 H new ATOM 381 N GLU A 45 -15.584 13.995 -3.632 1.00 23.43 N ATOM 382 CA GLU A 45 -14.702 15.111 -3.311 1.00 45.35 C ATOM 383 C GLU A 45 -15.413 16.128 -2.422 1.00 61.44 C ATOM 384 O GLU A 45 -14.856 16.599 -1.431 1.00 44.32 O ATOM 385 CB GLU A 45 -14.215 15.790 -4.593 1.00 32.34 C ATOM 386 CG GLU A 45 -13.451 17.080 -4.346 1.00 42.53 C ATOM 387 CD GLU A 45 -13.032 17.765 -5.633 1.00 53.30 C ATOM 388 OE1 GLU A 45 -13.473 17.321 -6.713 1.00 31.32 O ATOM 389 OE2 GLU A 45 -12.264 18.747 -5.558 1.00 53.20 O ATOM 0 H GLU A 45 -15.682 13.808 -4.630 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.843 14.717 -2.768 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.575 15.098 -5.140 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -15.073 16.002 -5.230 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -14.072 17.760 -3.762 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.565 16.865 -3.748 1.00 42.53 H new ATOM 396 N SER A 46 -16.646 16.464 -2.786 1.00 74.45 N ATOM 397 CA SER A 46 -17.432 17.428 -2.025 1.00 53.41 C ATOM 398 C SER A 46 -17.427 17.082 -0.540 1.00 2.32 C ATOM 399 O SER A 46 -17.271 17.956 0.314 1.00 40.42 O ATOM 400 CB SER A 46 -18.871 17.469 -2.546 1.00 21.35 C ATOM 401 OG SER A 46 -19.455 16.179 -2.534 1.00 71.21 O ATOM 0 H SER A 46 -17.123 16.083 -3.603 1.00 74.45 H new ATOM 0 HA SER A 46 -16.978 18.411 -2.152 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.464 18.146 -1.931 1.00 21.35 H new ATOM 0 HB3 SER A 46 -18.882 17.867 -3.561 1.00 21.35 H new ATOM 0 HG SER A 46 -20.374 16.233 -2.870 1.00 71.21 H new ATOM 407 N LYS A 47 -17.597 15.799 -0.237 1.00 52.31 N ATOM 408 CA LYS A 47 -17.611 15.334 1.145 1.00 32.00 C ATOM 409 C LYS A 47 -16.260 15.574 1.813 1.00 25.31 C ATOM 410 O LYS A 47 -16.193 16.029 2.956 1.00 3.24 O ATOM 411 CB LYS A 47 -17.962 13.846 1.201 1.00 45.22 C ATOM 412 CG LYS A 47 -19.452 13.578 1.327 1.00 41.21 C ATOM 413 CD LYS A 47 -20.197 13.958 0.059 1.00 40.34 C ATOM 414 CE LYS A 47 -21.221 15.052 0.321 1.00 24.10 C ATOM 415 NZ LYS A 47 -20.670 16.407 0.038 1.00 44.25 N ATOM 0 H LYS A 47 -17.727 15.063 -0.931 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.370 15.900 1.685 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.588 13.359 0.300 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.446 13.391 2.047 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -19.615 12.522 1.543 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.854 14.142 2.169 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -19.486 14.297 -0.694 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -20.698 13.079 -0.347 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -22.101 14.881 -0.299 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -21.548 15.002 1.360 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -21.449 17.093 -0.020 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -20.021 16.684 0.802 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -20.155 16.391 -0.865 1.00 44.25 H new ATOM 429 N LEU A 48 -15.187 15.266 1.094 1.00 0.24 N ATOM 430 CA LEU A 48 -13.838 15.449 1.617 1.00 61.20 C ATOM 431 C LEU A 48 -13.438 16.921 1.589 1.00 42.21 C ATOM 432 O LEU A 48 -12.376 17.295 2.087 1.00 23.30 O ATOM 433 CB LEU A 48 -12.838 14.622 0.805 1.00 13.43 C ATOM 434 CG LEU A 48 -11.551 14.225 1.529 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.084 12.851 1.071 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.465 15.265 1.297 1.00 4.51 C ATOM 0 H LEU A 48 -15.225 14.888 0.147 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.827 15.108 2.652 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.337 13.713 0.469 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.570 15.187 -0.087 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.757 14.179 2.598 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -10.167 12.585 1.596 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -11.855 12.113 1.290 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -10.895 12.870 -0.002 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.557 14.965 1.820 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.260 15.345 0.229 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.800 16.231 1.675 1.00 4.51 H new ATOM 448 N LEU A 49 -14.296 17.750 1.006 1.00 1.22 N ATOM 449 CA LEU A 49 -14.035 19.182 0.916 1.00 22.31 C ATOM 450 C LEU A 49 -14.906 19.959 1.899 1.00 21.04 C ATOM 451 O LEU A 49 -14.515 21.018 2.390 1.00 33.35 O ATOM 452 CB LEU A 49 -14.287 19.678 -0.508 1.00 14.24 C ATOM 453 CG LEU A 49 -14.377 21.194 -0.685 1.00 14.42 C ATOM 454 CD1 LEU A 49 -13.096 21.864 -0.212 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.658 21.546 -2.139 1.00 64.13 C ATOM 0 H LEU A 49 -15.179 17.455 0.588 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.990 19.352 1.174 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.488 19.304 -1.148 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.216 19.235 -0.867 1.00 14.24 H new ATOM 0 HG LEU A 49 -15.203 21.562 -0.076 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -13.179 22.943 -0.346 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.936 21.640 0.843 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -12.254 21.490 -0.794 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.719 22.629 -2.246 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.854 21.164 -2.768 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.603 21.098 -2.446 1.00 64.13 H new ATOM 467 N LEU A 50 -16.089 19.424 2.182 1.00 22.22 N ATOM 468 CA LEU A 50 -17.017 20.065 3.108 1.00 12.15 C ATOM 469 C LEU A 50 -16.806 19.554 4.530 1.00 64.21 C ATOM 470 O LEU A 50 -17.646 19.763 5.404 1.00 41.21 O ATOM 471 CB LEU A 50 -18.460 19.812 2.671 1.00 52.32 C ATOM 472 CG LEU A 50 -19.253 21.041 2.228 1.00 62.43 C ATOM 473 CD1 LEU A 50 -19.670 21.870 3.434 1.00 30.14 C ATOM 474 CD2 LEU A 50 -18.437 21.882 1.257 1.00 52.43 C ATOM 0 H LEU A 50 -16.428 18.548 1.784 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.823 21.138 3.095 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.449 19.096 1.849 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.991 19.340 3.498 1.00 52.32 H new ATOM 0 HG LEU A 50 -20.154 20.703 1.716 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -20.234 22.741 3.100 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -20.293 21.266 4.093 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -18.782 22.198 3.975 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -19.018 22.753 0.953 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -17.518 22.211 1.743 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -18.189 21.286 0.379 1.00 52.43 H new ATOM 486 N ASN A 51 -15.679 18.887 4.752 1.00 73.41 N ATOM 487 CA ASN A 51 -15.356 18.349 6.069 1.00 22.20 C ATOM 488 C ASN A 51 -13.969 18.798 6.516 1.00 10.20 C ATOM 489 O ASN A 51 -13.339 18.158 7.356 1.00 2.33 O ATOM 490 CB ASN A 51 -15.429 16.821 6.049 1.00 60.44 C ATOM 491 CG ASN A 51 -16.807 16.302 6.415 1.00 52.20 C ATOM 492 OD1 ASN A 51 -17.070 15.969 7.572 1.00 50.43 O ATOM 493 ND2 ASN A 51 -17.693 16.231 5.429 1.00 53.10 N ATOM 0 H ASN A 51 -14.974 18.706 4.038 1.00 73.41 H new ATOM 0 HA ASN A 51 -16.088 18.732 6.780 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -15.160 16.460 5.056 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.695 16.416 6.745 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -18.636 15.890 5.614 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -17.431 16.518 4.486 1.00 53.10 H new ATOM 500 N GLY A 52 -13.499 19.904 5.948 1.00 21.34 N ATOM 501 CA GLY A 52 -12.190 20.421 6.300 1.00 23.12 C ATOM 502 C GLY A 52 -11.106 19.364 6.210 1.00 64.40 C ATOM 503 O GLY A 52 -10.329 19.180 7.147 1.00 20.35 O ATOM 0 H GLY A 52 -14.002 20.452 5.250 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -11.940 21.250 5.638 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -12.221 20.820 7.314 1.00 23.12 H new ATOM 507 N PHE A 53 -11.055 18.667 5.081 1.00 4.22 N ATOM 508 CA PHE A 53 -10.061 17.620 4.873 1.00 32.51 C ATOM 509 C PHE A 53 -9.416 17.748 3.496 1.00 13.43 C ATOM 510 O PHE A 53 -8.643 16.886 3.077 1.00 72.43 O ATOM 511 CB PHE A 53 -10.703 16.239 5.021 1.00 31.13 C ATOM 512 CG PHE A 53 -9.912 15.299 5.886 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.539 15.189 5.736 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.542 14.527 6.849 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.809 14.326 6.530 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.817 13.663 7.646 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.449 13.561 7.486 1.00 3.33 C ATOM 0 H PHE A 53 -11.690 18.808 4.295 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.286 17.735 5.631 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.701 16.355 5.443 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -10.824 15.796 4.033 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.034 15.785 4.990 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.612 14.602 6.978 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.739 14.249 6.404 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.319 13.068 8.394 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.881 12.885 8.107 1.00 3.33 H new ATOM 527 N ASP A 54 -9.741 18.829 2.796 1.00 43.25 N ATOM 528 CA ASP A 54 -9.194 19.072 1.465 1.00 25.30 C ATOM 529 C ASP A 54 -7.687 19.301 1.531 1.00 32.24 C ATOM 530 O ASP A 54 -6.988 19.190 0.524 1.00 35.14 O ATOM 531 CB ASP A 54 -9.878 20.279 0.822 1.00 54.31 C ATOM 532 CG ASP A 54 -9.232 21.591 1.221 1.00 72.24 C ATOM 533 OD1 ASP A 54 -9.541 22.095 2.320 1.00 65.04 O ATOM 534 OD2 ASP A 54 -8.416 22.114 0.433 1.00 75.13 O ATOM 0 H ASP A 54 -10.380 19.551 3.127 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.383 18.189 0.854 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.845 20.176 -0.263 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.929 20.293 1.109 1.00 54.31 H new ATOM 539 N ASP A 55 -7.193 19.621 2.723 1.00 74.21 N ATOM 540 CA ASP A 55 -5.770 19.866 2.919 1.00 64.43 C ATOM 541 C ASP A 55 -4.954 18.619 2.590 1.00 73.45 C ATOM 542 O ASP A 55 -4.823 17.715 3.416 1.00 55.34 O ATOM 543 CB ASP A 55 -5.500 20.302 4.361 1.00 14.55 C ATOM 544 CG ASP A 55 -5.697 21.790 4.561 1.00 65.11 C ATOM 545 OD1 ASP A 55 -6.863 22.231 4.629 1.00 43.45 O ATOM 546 OD2 ASP A 55 -4.683 22.517 4.650 1.00 74.22 O ATOM 0 H ASP A 55 -7.758 19.716 3.567 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.467 20.666 2.243 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -6.163 19.757 5.033 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.479 20.034 4.634 1.00 14.55 H new ATOM 551 N VAL A 56 -4.407 18.577 1.380 1.00 2.04 N ATOM 552 CA VAL A 56 -3.603 17.443 0.941 1.00 33.13 C ATOM 553 C VAL A 56 -2.409 17.227 1.863 1.00 42.44 C ATOM 554 O VAL A 56 -1.835 16.138 1.909 1.00 53.32 O ATOM 555 CB VAL A 56 -3.098 17.636 -0.500 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.251 16.450 -0.934 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.266 17.843 -1.452 1.00 54.40 C ATOM 0 H VAL A 56 -4.506 19.317 0.685 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.248 16.565 0.976 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.473 18.528 -0.529 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -1.903 16.605 -1.955 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.393 16.353 -0.269 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -2.849 15.540 -0.889 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -3.889 17.978 -2.466 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -4.920 16.971 -1.421 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.827 18.728 -1.153 1.00 54.40 H new ATOM 567 N HIS A 57 -2.038 18.271 2.597 1.00 51.41 N ATOM 568 CA HIS A 57 -0.911 18.196 3.520 1.00 40.15 C ATOM 569 C HIS A 57 -1.375 17.772 4.910 1.00 32.12 C ATOM 570 O HIS A 57 -0.635 17.895 5.887 1.00 2.24 O ATOM 571 CB HIS A 57 -0.197 19.544 3.597 1.00 5.31 C ATOM 572 CG HIS A 57 0.805 19.756 2.503 1.00 63.24 C ATOM 573 ND1 HIS A 57 1.703 18.787 2.108 1.00 24.20 N ATOM 574 CD2 HIS A 57 1.044 20.832 1.716 1.00 24.11 C ATOM 575 CE1 HIS A 57 2.453 19.259 1.127 1.00 23.40 C ATOM 576 NE2 HIS A 57 2.072 20.498 0.871 1.00 2.32 N ATOM 0 H HIS A 57 -2.501 19.179 2.571 1.00 51.41 H new ATOM 0 HA HIS A 57 -0.215 17.446 3.144 1.00 40.15 H new ATOM 0 HB2 HIS A 57 -0.939 20.341 3.558 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.307 19.624 4.560 1.00 5.31 H new ATOM 0 HD2 HIS A 57 0.522 21.777 1.748 1.00 24.11 H new ATOM 0 HE1 HIS A 57 3.243 18.723 0.621 1.00 23.40 H new ATOM 0 HE2 HIS A 57 2.477 21.107 0.160 1.00 2.32 H new ATOM 584 N PHE A 58 -2.604 17.275 4.993 1.00 2.54 N ATOM 585 CA PHE A 58 -3.168 16.835 6.265 1.00 32.34 C ATOM 586 C PHE A 58 -3.485 15.343 6.231 1.00 21.42 C ATOM 587 O PHE A 58 -3.712 14.721 7.270 1.00 1.22 O ATOM 588 CB PHE A 58 -4.434 17.631 6.588 1.00 44.13 C ATOM 589 CG PHE A 58 -4.336 18.421 7.862 1.00 63.33 C ATOM 590 CD1 PHE A 58 -3.244 19.239 8.103 1.00 34.41 C ATOM 591 CD2 PHE A 58 -5.335 18.343 8.819 1.00 41.43 C ATOM 592 CE1 PHE A 58 -3.152 19.968 9.274 1.00 33.51 C ATOM 593 CE2 PHE A 58 -5.248 19.070 9.991 1.00 24.23 C ATOM 594 CZ PHE A 58 -4.154 19.881 10.220 1.00 25.44 C ATOM 0 H PHE A 58 -3.229 17.166 4.195 1.00 2.54 H new ATOM 0 HA PHE A 58 -2.427 17.013 7.045 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -4.646 18.311 5.763 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -5.277 16.944 6.660 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -2.456 19.308 7.368 1.00 34.41 H new ATOM 0 HD2 PHE A 58 -6.191 17.707 8.647 1.00 41.43 H new ATOM 0 HE1 PHE A 58 -2.297 20.605 9.449 1.00 33.51 H new ATOM 0 HE2 PHE A 58 -6.035 19.004 10.727 1.00 24.23 H new ATOM 0 HZ PHE A 58 -4.082 20.446 11.137 1.00 25.44 H new ATOM 604 N LEU A 59 -3.502 14.774 5.031 1.00 73.52 N ATOM 605 CA LEU A 59 -3.793 13.355 4.860 1.00 21.03 C ATOM 606 C LEU A 59 -2.908 12.505 5.766 1.00 4.40 C ATOM 607 O LEU A 59 -3.386 11.597 6.446 1.00 70.34 O ATOM 608 CB LEU A 59 -3.592 12.944 3.401 1.00 12.42 C ATOM 609 CG LEU A 59 -4.244 13.849 2.354 1.00 71.50 C ATOM 610 CD1 LEU A 59 -4.051 13.275 0.959 1.00 21.32 C ATOM 611 CD2 LEU A 59 -5.723 14.036 2.656 1.00 33.44 C ATOM 0 H LEU A 59 -3.318 15.274 4.161 1.00 73.52 H new ATOM 0 HA LEU A 59 -4.834 13.187 5.137 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.521 12.902 3.200 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -3.980 11.934 3.272 1.00 12.42 H new ATOM 0 HG LEU A 59 -3.760 14.825 2.394 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -4.521 13.932 0.227 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -2.986 13.195 0.743 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -4.508 12.287 0.906 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -6.170 14.683 1.901 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -6.222 13.067 2.645 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -5.839 14.493 3.639 1.00 33.44 H new ATOM 623 N GLY A 60 -1.613 12.808 5.772 1.00 54.22 N ATOM 624 CA GLY A 60 -0.680 12.063 6.599 1.00 72.21 C ATOM 625 C GLY A 60 -0.599 12.606 8.012 1.00 1.35 C ATOM 626 O GLY A 60 0.217 12.150 8.813 1.00 11.54 O ATOM 0 H GLY A 60 -1.193 13.556 5.219 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -0.983 11.017 6.632 1.00 72.21 H new ATOM 0 HA3 GLY A 60 0.310 12.094 6.144 1.00 72.21 H new ATOM 630 N SER A 61 -1.445 13.584 8.319 1.00 4.14 N ATOM 631 CA SER A 61 -1.461 14.194 9.643 1.00 1.23 C ATOM 632 C SER A 61 -2.688 13.746 10.433 1.00 33.14 C ATOM 633 O SER A 61 -2.570 13.065 11.450 1.00 43.52 O ATOM 634 CB SER A 61 -1.445 15.719 9.526 1.00 13.14 C ATOM 635 OG SER A 61 -0.278 16.264 10.118 1.00 63.22 O ATOM 0 H SER A 61 -2.129 13.971 7.668 1.00 4.14 H new ATOM 0 HA SER A 61 -0.568 13.869 10.176 1.00 1.23 H new ATOM 0 HB2 SER A 61 -1.492 16.007 8.476 1.00 13.14 H new ATOM 0 HB3 SER A 61 -2.329 16.133 10.010 1.00 13.14 H new ATOM 0 HG SER A 61 -0.291 17.240 10.028 1.00 63.22 H new ATOM 641 N ASN A 62 -3.866 14.136 9.954 1.00 31.22 N ATOM 642 CA ASN A 62 -5.115 13.776 10.614 1.00 31.45 C ATOM 643 C ASN A 62 -5.188 12.272 10.858 1.00 73.55 C ATOM 644 O ASN A 62 -4.503 11.491 10.197 1.00 54.32 O ATOM 645 CB ASN A 62 -6.309 14.226 9.770 1.00 13.43 C ATOM 646 CG ASN A 62 -6.869 15.560 10.226 1.00 23.14 C ATOM 647 OD1 ASN A 62 -6.153 16.385 10.793 1.00 61.15 O ATOM 648 ND2 ASN A 62 -8.156 15.777 9.979 1.00 20.24 N ATOM 0 H ASN A 62 -3.981 14.701 9.112 1.00 31.22 H new ATOM 0 HA ASN A 62 -5.147 14.284 11.578 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -6.005 14.300 8.726 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -7.092 13.470 9.821 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -8.588 16.656 10.262 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -8.712 15.064 9.506 1.00 20.24 H new ATOM 655 N VAL A 63 -6.024 11.872 11.811 1.00 25.41 N ATOM 656 CA VAL A 63 -6.188 10.462 12.142 1.00 4.52 C ATOM 657 C VAL A 63 -6.505 9.639 10.897 1.00 61.11 C ATOM 658 O VAL A 63 -5.933 8.570 10.686 1.00 32.03 O ATOM 659 CB VAL A 63 -7.308 10.255 13.178 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.593 10.928 12.719 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.535 8.772 13.428 1.00 12.02 C ATOM 0 H VAL A 63 -6.598 12.505 12.367 1.00 25.41 H new ATOM 0 HA VAL A 63 -5.243 10.125 12.567 1.00 4.52 H new ATOM 0 HB VAL A 63 -7.000 10.716 14.116 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -9.373 10.770 13.464 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -8.420 11.997 12.595 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.909 10.499 11.768 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -8.330 8.644 14.163 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -7.821 8.285 12.496 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -6.617 8.322 13.805 1.00 12.02 H new ATOM 671 N MET A 64 -7.418 10.146 10.076 1.00 61.20 N ATOM 672 CA MET A 64 -7.809 9.458 8.851 1.00 3.10 C ATOM 673 C MET A 64 -8.113 7.989 9.125 1.00 70.24 C ATOM 674 O MET A 64 -7.522 7.099 8.515 1.00 33.41 O ATOM 675 CB MET A 64 -6.703 9.575 7.800 1.00 12.44 C ATOM 676 CG MET A 64 -7.154 9.200 6.398 1.00 21.14 C ATOM 677 SD MET A 64 -7.531 10.641 5.382 1.00 63.40 S ATOM 678 CE MET A 64 -9.279 10.845 5.717 1.00 12.42 C ATOM 0 H MET A 64 -7.901 11.030 10.236 1.00 61.20 H new ATOM 0 HA MET A 64 -8.714 9.932 8.471 1.00 3.10 H new ATOM 0 HB2 MET A 64 -6.329 10.599 7.791 1.00 12.44 H new ATOM 0 HB3 MET A 64 -5.870 8.934 8.088 1.00 12.44 H new ATOM 0 HG2 MET A 64 -6.373 8.613 5.914 1.00 21.14 H new ATOM 0 HG3 MET A 64 -8.037 8.564 6.462 1.00 21.14 H new ATOM 0 HE1 MET A 64 -9.651 11.721 5.186 1.00 12.42 H new ATOM 0 HE2 MET A 64 -9.820 9.960 5.381 1.00 12.42 H new ATOM 0 HE3 MET A 64 -9.431 10.978 6.788 1.00 12.42 H new ATOM 688 N GLU A 65 -9.040 7.743 10.047 1.00 11.45 N ATOM 689 CA GLU A 65 -9.421 6.381 10.401 1.00 22.43 C ATOM 690 C GLU A 65 -10.714 5.977 9.698 1.00 24.51 C ATOM 691 O GLU A 65 -11.256 6.734 8.894 1.00 55.23 O ATOM 692 CB GLU A 65 -9.590 6.254 11.916 1.00 74.14 C ATOM 693 CG GLU A 65 -8.576 5.329 12.567 1.00 45.31 C ATOM 694 CD GLU A 65 -7.156 5.850 12.457 1.00 75.44 C ATOM 695 OE1 GLU A 65 -6.689 6.062 11.319 1.00 64.44 O ATOM 696 OE2 GLU A 65 -6.513 6.045 13.509 1.00 62.30 O ATOM 0 H GLU A 65 -9.540 8.468 10.561 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.626 5.711 10.073 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -9.508 7.243 12.366 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.594 5.888 12.132 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -8.831 5.199 13.619 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -8.635 4.345 12.101 1.00 45.31 H new ATOM 703 N GLU A 66 -11.199 4.778 10.007 1.00 13.11 N ATOM 704 CA GLU A 66 -12.426 4.274 9.404 1.00 23.52 C ATOM 705 C GLU A 66 -13.592 5.223 9.664 1.00 74.04 C ATOM 706 O GLU A 66 -14.349 5.557 8.753 1.00 23.44 O ATOM 707 CB GLU A 66 -12.755 2.883 9.951 1.00 2.44 C ATOM 708 CG GLU A 66 -12.802 2.821 11.468 1.00 3.43 C ATOM 709 CD GLU A 66 -12.902 1.401 11.991 1.00 41.24 C ATOM 710 OE1 GLU A 66 -13.295 0.508 11.213 1.00 4.50 O ATOM 711 OE2 GLU A 66 -12.586 1.184 13.180 1.00 43.30 O ATOM 0 H GLU A 66 -10.761 4.139 10.671 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.269 4.207 8.327 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.718 2.564 9.553 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -12.010 2.174 9.590 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.907 3.292 11.875 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -13.656 3.397 11.825 1.00 3.43 H new ATOM 718 N GLN A 67 -13.728 5.654 10.915 1.00 72.24 N ATOM 719 CA GLN A 67 -14.801 6.563 11.295 1.00 45.32 C ATOM 720 C GLN A 67 -14.637 7.917 10.612 1.00 64.44 C ATOM 721 O GLN A 67 -15.602 8.491 10.109 1.00 22.22 O ATOM 722 CB GLN A 67 -14.829 6.746 12.815 1.00 34.34 C ATOM 723 CG GLN A 67 -16.212 6.574 13.423 1.00 20.25 C ATOM 724 CD GLN A 67 -16.562 5.120 13.674 1.00 13.13 C ATOM 725 OE1 GLN A 67 -15.961 4.216 13.093 1.00 43.45 O ATOM 726 NE2 GLN A 67 -17.538 4.889 14.543 1.00 40.24 N ATOM 0 H GLN A 67 -13.109 5.388 11.681 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.745 6.125 10.970 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -14.148 6.027 13.272 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -14.455 7.740 13.060 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -16.262 7.123 14.363 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -16.955 7.013 12.757 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -18.008 5.670 15.001 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -17.818 3.931 14.753 1.00 40.24 H new ATOM 735 N ASP A 68 -13.408 8.421 10.598 1.00 4.04 N ATOM 736 CA ASP A 68 -13.116 9.707 9.976 1.00 33.33 C ATOM 737 C ASP A 68 -13.665 9.760 8.553 1.00 4.50 C ATOM 738 O ASP A 68 -14.168 10.793 8.109 1.00 73.34 O ATOM 739 CB ASP A 68 -11.607 9.961 9.963 1.00 2.30 C ATOM 740 CG ASP A 68 -11.268 11.437 10.037 1.00 73.53 C ATOM 741 OD1 ASP A 68 -12.174 12.267 9.815 1.00 32.30 O ATOM 742 OD2 ASP A 68 -10.096 11.761 10.320 1.00 64.33 O ATOM 0 H ASP A 68 -12.598 7.958 11.010 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.603 10.485 10.564 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -11.147 9.443 10.804 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.178 9.538 9.055 1.00 2.30 H new ATOM 747 N LEU A 69 -13.566 8.640 7.845 1.00 54.14 N ATOM 748 CA LEU A 69 -14.052 8.559 6.472 1.00 21.05 C ATOM 749 C LEU A 69 -15.575 8.491 6.437 1.00 72.33 C ATOM 750 O LEU A 69 -16.206 8.955 5.486 1.00 32.02 O ATOM 751 CB LEU A 69 -13.460 7.334 5.772 1.00 63.04 C ATOM 752 CG LEU A 69 -11.960 7.108 5.971 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.673 5.639 6.238 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.182 7.592 4.756 1.00 20.54 C ATOM 0 H LEU A 69 -13.154 7.776 8.199 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.734 9.460 5.947 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.990 6.448 6.122 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.656 7.421 4.703 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.637 7.684 6.838 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.601 5.497 6.377 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -12.201 5.323 7.138 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -12.011 5.042 5.391 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -10.117 7.423 4.915 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.508 7.043 3.873 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.363 8.657 4.609 1.00 20.54 H new ATOM 766 N ARG A 70 -16.161 7.913 7.481 1.00 23.24 N ATOM 767 CA ARG A 70 -17.610 7.785 7.569 1.00 72.12 C ATOM 768 C ARG A 70 -18.253 9.123 7.926 1.00 55.23 C ATOM 769 O ARG A 70 -19.311 9.474 7.403 1.00 53.31 O ATOM 770 CB ARG A 70 -17.988 6.731 8.612 1.00 3.23 C ATOM 771 CG ARG A 70 -19.466 6.376 8.610 1.00 42.20 C ATOM 772 CD ARG A 70 -19.677 4.876 8.745 1.00 62.45 C ATOM 773 NE ARG A 70 -20.889 4.430 8.062 1.00 4.14 N ATOM 774 CZ ARG A 70 -21.461 3.251 8.275 1.00 70.41 C ATOM 775 NH1 ARG A 70 -20.935 2.403 9.147 1.00 24.21 N ATOM 776 NH2 ARG A 70 -22.564 2.918 7.615 1.00 34.32 N ATOM 0 H ARG A 70 -15.654 7.526 8.277 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.982 7.471 6.594 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -17.406 5.828 8.431 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.712 7.095 9.601 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.966 6.891 9.430 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.925 6.728 7.686 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -18.815 4.350 8.334 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -19.738 4.612 9.801 1.00 62.45 H new ATOM 0 HE ARG A 70 -21.319 5.059 7.384 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -20.088 2.655 9.657 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -21.377 1.498 9.308 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -22.973 3.568 6.944 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -23.003 2.012 7.779 1.00 34.32 H new ATOM 790 N ASP A 71 -17.606 9.863 8.820 1.00 53.33 N ATOM 791 CA ASP A 71 -18.115 11.163 9.246 1.00 60.01 C ATOM 792 C ASP A 71 -18.194 12.129 8.068 1.00 72.41 C ATOM 793 O ASP A 71 -19.117 12.939 7.980 1.00 71.35 O ATOM 794 CB ASP A 71 -17.222 11.748 10.342 1.00 14.22 C ATOM 795 CG ASP A 71 -17.752 13.063 10.878 1.00 62.44 C ATOM 796 OD1 ASP A 71 -18.984 13.186 11.039 1.00 31.13 O ATOM 797 OD2 ASP A 71 -16.932 13.970 11.138 1.00 72.31 O ATOM 0 H ASP A 71 -16.730 9.586 9.263 1.00 53.33 H new ATOM 0 HA ASP A 71 -19.120 11.020 9.643 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.139 11.032 11.160 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.217 11.898 9.947 1.00 14.22 H new ATOM 802 N ILE A 72 -17.222 12.036 7.167 1.00 1.12 N ATOM 803 CA ILE A 72 -17.182 12.902 5.995 1.00 75.31 C ATOM 804 C ILE A 72 -18.163 12.428 4.929 1.00 44.42 C ATOM 805 O ILE A 72 -18.563 13.194 4.053 1.00 12.52 O ATOM 806 CB ILE A 72 -15.770 12.962 5.387 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.308 11.562 4.975 1.00 55.23 C ATOM 808 CG2 ILE A 72 -14.792 13.576 6.376 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.171 11.569 3.977 1.00 0.34 C ATOM 0 H ILE A 72 -16.452 11.370 7.226 1.00 1.12 H new ATOM 0 HA ILE A 72 -17.466 13.900 6.330 1.00 75.31 H new ATOM 0 HB ILE A 72 -15.801 13.592 4.498 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -14.996 11.015 5.865 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.152 11.021 4.548 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -13.798 13.611 5.930 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.114 14.587 6.626 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -14.762 12.971 7.282 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -13.896 10.543 3.731 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.485 12.088 3.071 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.311 12.081 4.409 1.00 0.34 H new ATOM 821 N GLY A 73 -18.550 11.158 5.010 1.00 1.12 N ATOM 822 CA GLY A 73 -19.483 10.603 4.046 1.00 1.33 C ATOM 823 C GLY A 73 -19.066 9.230 3.559 1.00 11.10 C ATOM 824 O GLY A 73 -19.901 8.340 3.402 1.00 73.00 O ATOM 0 H GLY A 73 -18.234 10.504 5.726 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.473 10.539 4.498 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -19.565 11.278 3.194 1.00 1.33 H new ATOM 828 N ILE A 74 -17.771 9.059 3.317 1.00 51.04 N ATOM 829 CA ILE A 74 -17.244 7.785 2.844 1.00 31.22 C ATOM 830 C ILE A 74 -17.542 6.665 3.835 1.00 75.21 C ATOM 831 O ILE A 74 -16.863 6.523 4.851 1.00 30.33 O ATOM 832 CB ILE A 74 -15.723 7.855 2.609 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.382 9.031 1.691 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.217 6.548 2.017 1.00 22.03 C ATOM 835 CD1 ILE A 74 -13.900 9.179 1.426 1.00 70.13 C ATOM 0 H ILE A 74 -17.067 9.787 3.441 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.740 7.572 1.897 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.228 8.011 3.568 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -15.902 8.903 0.742 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -15.757 9.952 2.138 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.141 6.614 1.857 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.432 5.730 2.704 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.715 6.363 1.065 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -13.731 10.032 0.768 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.376 9.338 2.368 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.523 8.274 0.950 1.00 70.13 H new ATOM 847 N SER A 75 -18.563 5.869 3.531 1.00 25.45 N ATOM 848 CA SER A 75 -18.953 4.761 4.396 1.00 13.40 C ATOM 849 C SER A 75 -18.761 3.425 3.686 1.00 74.40 C ATOM 850 O SER A 75 -18.878 2.363 4.297 1.00 20.24 O ATOM 851 CB SER A 75 -20.412 4.916 4.831 1.00 21.25 C ATOM 852 OG SER A 75 -21.266 5.064 3.710 1.00 33.10 O ATOM 0 H SER A 75 -19.135 5.971 2.692 1.00 25.45 H new ATOM 0 HA SER A 75 -18.314 4.778 5.279 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.716 4.045 5.411 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.510 5.784 5.484 1.00 21.25 H new ATOM 0 HG SER A 75 -22.192 5.159 4.015 1.00 33.10 H new ATOM 858 N ASP A 76 -18.467 3.486 2.393 1.00 53.52 N ATOM 859 CA ASP A 76 -18.257 2.281 1.597 1.00 32.34 C ATOM 860 C ASP A 76 -16.899 1.658 1.903 1.00 34.05 C ATOM 861 O ASP A 76 -15.944 2.341 2.273 1.00 20.20 O ATOM 862 CB ASP A 76 -18.361 2.603 0.106 1.00 33.23 C ATOM 863 CG ASP A 76 -19.688 2.174 -0.488 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.731 2.713 -0.060 1.00 10.22 O ATOM 865 OD2 ASP A 76 -19.685 1.301 -1.381 1.00 35.40 O ATOM 0 H ASP A 76 -18.368 4.357 1.872 1.00 53.52 H new ATOM 0 HA ASP A 76 -19.034 1.562 1.859 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.230 3.675 -0.041 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.550 2.107 -0.427 1.00 33.23 H new ATOM 870 N PRO A 77 -16.809 0.329 1.746 1.00 11.41 N ATOM 871 CA PRO A 77 -15.572 -0.416 2.001 1.00 74.34 C ATOM 872 C PRO A 77 -14.494 -0.122 0.962 1.00 3.05 C ATOM 873 O PRO A 77 -13.337 0.114 1.307 1.00 54.31 O ATOM 874 CB PRO A 77 -16.013 -1.878 1.912 1.00 62.34 C ATOM 875 CG PRO A 77 -17.218 -1.858 1.037 1.00 3.44 C ATOM 876 CD PRO A 77 -17.906 -0.550 1.309 1.00 12.32 C ATOM 0 HA PRO A 77 -15.126 -0.148 2.959 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -15.227 -2.503 1.489 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -16.246 -2.282 2.897 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.939 -1.941 -0.013 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.876 -2.698 1.259 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.400 -0.163 0.418 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.671 -0.651 2.079 1.00 12.32 H new ATOM 884 N GLN A 78 -14.883 -0.136 -0.308 1.00 22.03 N ATOM 885 CA GLN A 78 -13.950 0.129 -1.396 1.00 20.20 C ATOM 886 C GLN A 78 -13.593 1.611 -1.458 1.00 31.22 C ATOM 887 O GLN A 78 -12.697 2.014 -2.201 1.00 34.23 O ATOM 888 CB GLN A 78 -14.547 -0.320 -2.731 1.00 23.11 C ATOM 889 CG GLN A 78 -15.928 0.256 -3.004 1.00 52.33 C ATOM 890 CD GLN A 78 -16.066 0.795 -4.413 1.00 11.41 C ATOM 891 OE1 GLN A 78 -15.133 1.390 -4.958 1.00 41.05 O ATOM 892 NE2 GLN A 78 -17.232 0.592 -5.014 1.00 41.45 N ATOM 0 H GLN A 78 -15.838 -0.328 -0.609 1.00 22.03 H new ATOM 0 HA GLN A 78 -13.039 -0.438 -1.205 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -13.874 -0.027 -3.537 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -14.607 -1.408 -2.745 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -16.679 -0.517 -2.839 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -16.132 1.055 -2.292 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -17.977 0.095 -4.527 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -17.383 0.933 -5.963 1.00 41.45 H new ATOM 901 N HIS A 79 -14.300 2.418 -0.674 1.00 40.31 N ATOM 902 CA HIS A 79 -14.058 3.856 -0.640 1.00 53.12 C ATOM 903 C HIS A 79 -13.319 4.252 0.635 1.00 14.42 C ATOM 904 O HIS A 79 -12.710 5.320 0.705 1.00 71.44 O ATOM 905 CB HIS A 79 -15.379 4.620 -0.736 1.00 4.55 C ATOM 906 CG HIS A 79 -16.089 4.426 -2.041 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.242 5.103 -2.378 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.801 3.627 -3.095 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.635 4.727 -3.582 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.777 3.832 -4.040 1.00 70.41 N ATOM 0 H HIS A 79 -15.045 2.101 -0.054 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.435 4.115 -1.496 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -16.033 4.301 0.075 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.186 5.683 -0.591 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -14.961 2.954 -3.178 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.509 5.089 -4.103 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.831 3.369 -4.947 1.00 70.41 H new ATOM 918 N ARG A 80 -13.379 3.387 1.642 1.00 4.22 N ATOM 919 CA ARG A 80 -12.718 3.647 2.914 1.00 30.13 C ATOM 920 C ARG A 80 -11.279 3.137 2.895 1.00 13.34 C ATOM 921 O ARG A 80 -10.363 3.816 3.357 1.00 23.11 O ATOM 922 CB ARG A 80 -13.489 2.988 4.059 1.00 5.54 C ATOM 923 CG ARG A 80 -14.308 3.965 4.885 1.00 32.10 C ATOM 924 CD ARG A 80 -14.524 3.454 6.301 1.00 61.34 C ATOM 925 NE ARG A 80 -15.187 2.153 6.318 1.00 63.42 N ATOM 926 CZ ARG A 80 -15.856 1.682 7.364 1.00 71.04 C ATOM 927 NH1 ARG A 80 -15.951 2.403 8.473 1.00 64.32 N ATOM 928 NH2 ARG A 80 -16.432 0.489 7.303 1.00 51.11 N ATOM 0 H ARG A 80 -13.879 2.499 1.601 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.701 4.726 3.071 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -14.153 2.228 3.648 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.783 2.475 4.713 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.801 4.929 4.919 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -15.273 4.129 4.405 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -13.563 3.378 6.809 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -15.123 4.174 6.859 1.00 61.34 H new ATOM 0 HE ARG A 80 -15.133 1.574 5.480 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -15.510 3.321 8.524 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -16.465 2.039 9.275 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -16.362 -0.068 6.452 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -16.945 0.129 8.107 1.00 51.11 H new ATOM 942 N ARG A 81 -11.091 1.937 2.358 1.00 52.33 N ATOM 943 CA ARG A 81 -9.765 1.334 2.279 1.00 13.14 C ATOM 944 C ARG A 81 -8.909 2.040 1.232 1.00 31.35 C ATOM 945 O ARG A 81 -7.691 2.148 1.381 1.00 21.33 O ATOM 946 CB ARG A 81 -9.877 -0.155 1.943 1.00 64.45 C ATOM 947 CG ARG A 81 -8.698 -0.979 2.433 1.00 51.20 C ATOM 948 CD ARG A 81 -8.598 -0.961 3.950 1.00 20.30 C ATOM 949 NE ARG A 81 -7.707 -2.003 4.453 1.00 44.34 N ATOM 950 CZ ARG A 81 -6.383 -1.948 4.355 1.00 62.31 C ATOM 951 NH1 ARG A 81 -5.800 -0.906 3.778 1.00 63.52 N ATOM 952 NH2 ARG A 81 -5.640 -2.936 4.837 1.00 72.44 N ATOM 0 H ARG A 81 -11.839 1.362 1.971 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.284 1.444 3.251 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.793 -0.550 2.382 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -9.966 -0.270 0.863 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -8.802 -2.007 2.086 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -7.776 -0.589 2.002 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -8.237 0.014 4.278 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -9.591 -1.094 4.380 1.00 20.30 H new ATOM 0 HE ARG A 81 -8.124 -2.817 4.904 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -6.368 -0.144 3.408 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -4.783 -0.867 3.704 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -6.085 -3.738 5.283 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -4.624 -2.893 4.762 1.00 72.44 H new ATOM 966 N LYS A 82 -9.552 2.519 0.174 1.00 13.53 N ATOM 967 CA LYS A 82 -8.851 3.215 -0.898 1.00 64.41 C ATOM 968 C LYS A 82 -8.342 4.573 -0.424 1.00 20.04 C ATOM 969 O LYS A 82 -7.190 4.935 -0.669 1.00 33.00 O ATOM 970 CB LYS A 82 -9.774 3.399 -2.105 1.00 4.21 C ATOM 971 CG LYS A 82 -9.045 3.385 -3.438 1.00 41.51 C ATOM 972 CD LYS A 82 -9.843 2.654 -4.503 1.00 45.43 C ATOM 973 CE LYS A 82 -9.122 1.400 -4.976 1.00 33.41 C ATOM 974 NZ LYS A 82 -8.382 1.633 -6.248 1.00 53.50 N ATOM 0 H LYS A 82 -10.559 2.438 0.035 1.00 13.53 H new ATOM 0 HA LYS A 82 -7.995 2.607 -1.192 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.523 2.608 -2.102 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.308 4.344 -2.003 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -8.857 4.409 -3.762 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -8.074 2.906 -3.317 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -10.821 2.385 -4.105 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -10.015 3.318 -5.350 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -8.425 1.069 -4.206 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -9.845 0.597 -5.118 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -7.904 0.756 -6.537 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -9.050 1.924 -6.990 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -7.674 2.382 -6.106 1.00 53.50 H new ATOM 988 N LEU A 83 -9.205 5.317 0.257 1.00 25.51 N ATOM 989 CA LEU A 83 -8.842 6.635 0.768 1.00 70.13 C ATOM 990 C LEU A 83 -7.797 6.521 1.874 1.00 75.12 C ATOM 991 O LEU A 83 -7.066 7.473 2.152 1.00 34.51 O ATOM 992 CB LEU A 83 -10.083 7.359 1.296 1.00 44.33 C ATOM 993 CG LEU A 83 -10.122 8.870 1.072 1.00 35.54 C ATOM 994 CD1 LEU A 83 -11.077 9.218 -0.059 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.526 9.589 2.351 1.00 61.21 C ATOM 0 H LEU A 83 -10.161 5.031 0.469 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.415 7.211 -0.053 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -10.963 6.919 0.827 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -10.163 7.168 2.366 1.00 44.33 H new ATOM 0 HG LEU A 83 -9.122 9.201 0.792 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -11.091 10.298 -0.204 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -10.745 8.733 -0.977 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -12.080 8.872 0.192 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -10.548 10.664 2.173 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -11.515 9.252 2.661 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -9.804 9.367 3.137 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.731 5.352 2.500 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.773 5.112 3.574 1.00 3.44 C ATOM 1009 C LEU A 84 -5.447 4.604 3.018 1.00 72.44 C ATOM 1010 O LEU A 84 -4.390 4.830 3.606 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.340 4.101 4.572 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.764 4.665 5.930 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.549 5.954 5.751 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.585 3.641 6.700 1.00 42.04 C ATOM 0 H LEU A 84 -8.329 4.555 2.283 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.593 6.058 4.085 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -8.203 3.616 4.117 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.591 3.327 4.740 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.866 4.888 6.506 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.842 6.340 6.727 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.928 6.690 5.241 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.441 5.757 5.156 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.878 4.059 7.663 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.478 3.386 6.129 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.989 2.743 6.861 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.511 3.921 1.879 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.314 3.384 1.243 1.00 44.01 C ATOM 1028 C GLN A 85 -3.576 4.469 0.465 1.00 32.52 C ATOM 1029 O GLN A 85 -2.351 4.564 0.523 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.681 2.230 0.309 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.570 1.206 0.140 1.00 71.24 C ATOM 1032 CD GLN A 85 -2.497 1.664 -0.829 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -2.775 1.934 -1.997 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -1.263 1.751 -0.348 1.00 23.34 N ATOM 0 H GLN A 85 -6.378 3.727 1.378 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.653 3.012 2.026 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.569 1.730 0.695 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.943 2.634 -0.669 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -3.116 1.004 1.110 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -3.997 0.267 -0.213 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -1.078 1.517 0.627 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -0.500 2.052 -0.954 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.332 5.286 -0.262 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.750 6.365 -1.050 1.00 23.11 C ATOM 1045 C ALA A 86 -3.308 7.519 -0.158 1.00 41.35 C ATOM 1046 O ALA A 86 -2.501 8.356 -0.563 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.746 6.853 -2.092 1.00 11.45 C ATOM 0 H ALA A 86 -5.348 5.221 -0.321 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.868 5.976 -1.559 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.299 7.659 -2.674 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -5.011 6.030 -2.756 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.643 7.220 -1.594 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.841 7.559 1.060 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.499 8.610 2.009 1.00 1.44 C ATOM 1055 C ALA A 87 -2.223 8.268 2.770 1.00 72.32 C ATOM 1056 O ALA A 87 -1.364 9.125 2.978 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.648 8.839 2.979 1.00 23.42 C ATOM 0 H ALA A 87 -4.511 6.875 1.411 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.322 9.528 1.449 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.379 9.627 3.682 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.538 9.136 2.425 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.851 7.918 3.526 1.00 23.42 H new ATOM 1063 N ARG A 88 -2.105 7.011 3.186 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.934 6.557 3.926 1.00 15.24 C ATOM 1065 C ARG A 88 0.260 6.370 2.993 1.00 1.23 C ATOM 1066 O ARG A 88 1.410 6.374 3.432 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.240 5.245 4.650 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.302 4.039 3.727 1.00 20.20 C ATOM 1069 CD ARG A 88 -1.985 2.858 4.397 1.00 33.11 C ATOM 1070 NE ARG A 88 -1.471 1.580 3.912 1.00 14.11 N ATOM 1071 CZ ARG A 88 -0.293 1.080 4.267 1.00 23.21 C ATOM 1072 NH1 ARG A 88 0.489 1.747 5.105 1.00 42.15 N ATOM 1073 NH2 ARG A 88 0.106 -0.090 3.783 1.00 35.20 N ATOM 0 H ARG A 88 -2.807 6.289 3.023 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.681 7.320 4.662 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -0.477 5.072 5.409 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -2.192 5.342 5.172 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -1.841 4.304 2.817 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -0.293 3.756 3.429 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -1.841 2.920 5.476 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -3.058 2.909 4.215 1.00 33.11 H new ATOM 0 HE ARG A 88 -2.048 1.042 3.265 1.00 14.11 H new ATOM 0 HH11 ARG A 88 0.186 2.646 5.479 1.00 42.15 H new ATOM 0 HH12 ARG A 88 1.393 1.360 5.376 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -0.492 -0.606 3.138 1.00 35.20 H new ATOM 0 HH22 ARG A 88 1.011 -0.473 4.056 1.00 35.20 H new ATOM 1087 N SER A 89 -0.022 6.204 1.705 1.00 60.43 N ATOM 1088 CA SER A 89 1.028 6.011 0.711 1.00 31.34 C ATOM 1089 C SER A 89 1.792 7.309 0.470 1.00 64.31 C ATOM 1090 O SER A 89 2.826 7.319 -0.201 1.00 22.54 O ATOM 1091 CB SER A 89 0.428 5.508 -0.603 1.00 41.01 C ATOM 1092 OG SER A 89 1.398 5.498 -1.636 1.00 40.14 O ATOM 0 H SER A 89 -0.969 6.199 1.325 1.00 60.43 H new ATOM 0 HA SER A 89 1.725 5.265 1.094 1.00 31.34 H new ATOM 0 HB2 SER A 89 0.030 4.503 -0.464 1.00 41.01 H new ATOM 0 HB3 SER A 89 -0.409 6.144 -0.892 1.00 41.01 H new ATOM 0 HG SER A 89 2.140 6.090 -1.394 1.00 40.14 H new ATOM 1098 N LEU A 90 1.278 8.403 1.022 1.00 13.20 N ATOM 1099 CA LEU A 90 1.912 9.708 0.868 1.00 20.50 C ATOM 1100 C LEU A 90 3.235 9.764 1.624 1.00 33.31 C ATOM 1101 O LEU A 90 3.496 8.969 2.528 1.00 24.22 O ATOM 1102 CB LEU A 90 0.979 10.812 1.367 1.00 31.32 C ATOM 1103 CG LEU A 90 0.049 11.430 0.321 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.342 10.825 0.419 1.00 13.43 C ATOM 1105 CD2 LEU A 90 -0.011 12.941 0.488 1.00 41.41 C ATOM 0 H LEU A 90 0.424 8.412 1.580 1.00 13.20 H new ATOM 0 HA LEU A 90 2.114 9.863 -0.192 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.368 10.406 2.173 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.588 11.607 1.798 1.00 31.32 H new ATOM 0 HG LEU A 90 0.449 11.209 -0.669 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -1.989 11.277 -0.333 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -1.284 9.750 0.249 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.752 11.014 1.411 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -0.677 13.364 -0.264 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.387 13.183 1.482 1.00 41.41 H new ATOM 0 HD23 LEU A 90 0.988 13.361 0.366 1.00 41.41 H new ATOM 1117 N PRO A 91 4.091 10.726 1.250 1.00 61.04 N ATOM 1118 CA PRO A 91 5.401 10.910 1.883 1.00 0.30 C ATOM 1119 C PRO A 91 5.286 11.432 3.312 1.00 31.13 C ATOM 1120 O PRO A 91 4.186 11.686 3.804 1.00 53.20 O ATOM 1121 CB PRO A 91 6.083 11.947 0.988 1.00 50.35 C ATOM 1122 CG PRO A 91 4.963 12.700 0.356 1.00 2.33 C ATOM 1123 CD PRO A 91 3.846 11.709 0.181 1.00 23.44 C ATOM 0 HA PRO A 91 5.950 9.972 1.967 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.726 12.608 1.568 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.712 11.469 0.237 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.650 13.534 0.984 1.00 2.33 H new ATOM 0 HG3 PRO A 91 5.267 13.119 -0.603 1.00 2.33 H new ATOM 0 HD2 PRO A 91 2.869 12.182 0.286 1.00 23.44 H new ATOM 0 HD3 PRO A 91 3.871 11.245 -0.805 1.00 23.44 H new ATOM 1131 N LYS A 92 6.428 11.590 3.971 1.00 32.51 N ATOM 1132 CA LYS A 92 6.457 12.083 5.344 1.00 1.54 C ATOM 1133 C LYS A 92 5.531 11.262 6.237 1.00 11.31 C ATOM 1134 O LYS A 92 4.651 11.807 6.903 1.00 11.14 O ATOM 1135 CB LYS A 92 6.048 13.557 5.386 1.00 24.45 C ATOM 1136 CG LYS A 92 7.118 14.501 4.866 1.00 34.54 C ATOM 1137 CD LYS A 92 7.015 14.686 3.362 1.00 43.24 C ATOM 1138 CE LYS A 92 7.138 16.151 2.971 1.00 22.10 C ATOM 1139 NZ LYS A 92 7.389 16.317 1.512 1.00 24.23 N ATOM 0 H LYS A 92 7.346 11.384 3.577 1.00 32.51 H new ATOM 0 HA LYS A 92 7.476 11.983 5.718 1.00 1.54 H new ATOM 0 HB2 LYS A 92 5.141 13.690 4.797 1.00 24.45 H new ATOM 0 HB3 LYS A 92 5.804 13.828 6.413 1.00 24.45 H new ATOM 0 HG2 LYS A 92 7.023 15.468 5.360 1.00 34.54 H new ATOM 0 HG3 LYS A 92 8.104 14.110 5.119 1.00 34.54 H new ATOM 0 HD2 LYS A 92 7.798 14.110 2.869 1.00 43.24 H new ATOM 0 HD3 LYS A 92 6.061 14.293 3.011 1.00 43.24 H new ATOM 0 HE2 LYS A 92 6.224 16.678 3.244 1.00 22.10 H new ATOM 0 HE3 LYS A 92 7.951 16.610 3.534 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 7.467 17.329 1.286 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 8.275 15.836 1.255 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 6.601 15.902 0.975 1.00 24.23 H new ATOM 1153 N VAL A 93 5.738 9.950 6.247 1.00 22.10 N ATOM 1154 CA VAL A 93 4.925 9.054 7.060 1.00 41.34 C ATOM 1155 C VAL A 93 5.794 8.218 7.994 1.00 71.23 C ATOM 1156 O VAL A 93 6.851 7.724 7.601 1.00 62.52 O ATOM 1157 CB VAL A 93 4.080 8.111 6.183 1.00 15.35 C ATOM 1158 CG1 VAL A 93 4.974 7.137 5.430 1.00 45.14 C ATOM 1159 CG2 VAL A 93 3.060 7.367 7.031 1.00 64.23 C ATOM 0 H VAL A 93 6.462 9.483 5.701 1.00 22.10 H new ATOM 0 HA VAL A 93 4.259 9.682 7.652 1.00 41.34 H new ATOM 0 HB VAL A 93 3.540 8.711 5.450 1.00 15.35 H new ATOM 0 HG11 VAL A 93 4.359 6.479 4.816 1.00 45.14 H new ATOM 0 HG12 VAL A 93 5.661 7.693 4.791 1.00 45.14 H new ATOM 0 HG13 VAL A 93 5.544 6.541 6.143 1.00 45.14 H new ATOM 0 HG21 VAL A 93 2.472 6.705 6.395 1.00 64.23 H new ATOM 0 HG22 VAL A 93 3.577 6.778 7.788 1.00 64.23 H new ATOM 0 HG23 VAL A 93 2.399 8.084 7.518 1.00 64.23 H new ATOM 1169 N LYS A 94 5.341 8.063 9.233 1.00 33.11 N ATOM 1170 CA LYS A 94 6.075 7.285 10.224 1.00 74.13 C ATOM 1171 C LYS A 94 5.957 5.792 9.940 1.00 13.12 C ATOM 1172 O LYS A 94 5.124 5.102 10.528 1.00 64.04 O ATOM 1173 CB LYS A 94 5.553 7.591 11.631 1.00 63.31 C ATOM 1174 CG LYS A 94 6.548 7.267 12.732 1.00 1.04 C ATOM 1175 CD LYS A 94 5.910 7.372 14.107 1.00 2.13 C ATOM 1176 CE LYS A 94 6.945 7.681 15.179 1.00 55.41 C ATOM 1177 NZ LYS A 94 6.400 8.578 16.235 1.00 3.32 N ATOM 0 H LYS A 94 4.469 8.466 9.575 1.00 33.11 H new ATOM 0 HA LYS A 94 7.127 7.566 10.164 1.00 74.13 H new ATOM 0 HB2 LYS A 94 5.289 8.647 11.690 1.00 63.31 H new ATOM 0 HB3 LYS A 94 4.638 7.024 11.801 1.00 63.31 H new ATOM 0 HG2 LYS A 94 6.938 6.260 12.587 1.00 1.04 H new ATOM 0 HG3 LYS A 94 7.396 7.949 12.670 1.00 1.04 H new ATOM 0 HD2 LYS A 94 5.150 8.153 14.098 1.00 2.13 H new ATOM 0 HD3 LYS A 94 5.404 6.437 14.347 1.00 2.13 H new ATOM 0 HE2 LYS A 94 7.286 6.751 15.633 1.00 55.41 H new ATOM 0 HE3 LYS A 94 7.815 8.149 14.719 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 7.136 8.764 16.946 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 6.098 9.476 15.806 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 5.585 8.121 16.692 1.00 3.32 H new ATOM 1191 N ALA A 95 6.797 5.297 9.037 1.00 43.24 N ATOM 1192 CA ALA A 95 6.789 3.885 8.678 1.00 22.34 C ATOM 1193 C ALA A 95 8.112 3.472 8.042 1.00 53.05 C ATOM 1194 O ALA A 95 9.008 4.298 7.857 1.00 63.35 O ATOM 1195 CB ALA A 95 5.633 3.586 7.736 1.00 52.25 C ATOM 0 H ALA A 95 7.492 5.854 8.540 1.00 43.24 H new ATOM 0 HA ALA A 95 6.658 3.305 9.592 1.00 22.34 H new ATOM 0 HB1 ALA A 95 5.640 2.527 7.476 1.00 52.25 H new ATOM 0 HB2 ALA A 95 4.691 3.834 8.226 1.00 52.25 H new ATOM 0 HB3 ALA A 95 5.738 4.182 6.830 1.00 52.25 H new ATOM 1201 N LEU A 96 8.230 2.191 7.711 1.00 64.45 N ATOM 1202 CA LEU A 96 9.445 1.668 7.096 1.00 14.02 C ATOM 1203 C LEU A 96 9.659 2.274 5.713 1.00 34.44 C ATOM 1204 O LEU A 96 8.925 1.975 4.773 1.00 71.42 O ATOM 1205 CB LEU A 96 9.372 0.144 6.992 1.00 51.12 C ATOM 1206 CG LEU A 96 9.632 -0.631 8.285 1.00 73.52 C ATOM 1207 CD1 LEU A 96 8.512 -1.627 8.544 1.00 13.14 C ATOM 1208 CD2 LEU A 96 10.976 -1.341 8.221 1.00 22.44 C ATOM 0 H LEU A 96 7.499 1.495 7.858 1.00 64.45 H new ATOM 0 HA LEU A 96 10.290 1.943 7.727 1.00 14.02 H new ATOM 0 HB2 LEU A 96 8.384 -0.128 6.622 1.00 51.12 H new ATOM 0 HB3 LEU A 96 10.094 -0.184 6.244 1.00 51.12 H new ATOM 0 HG LEU A 96 9.658 0.078 9.112 1.00 73.52 H new ATOM 0 HD11 LEU A 96 8.714 -2.169 9.468 1.00 13.14 H new ATOM 0 HD12 LEU A 96 7.565 -1.094 8.635 1.00 13.14 H new ATOM 0 HD13 LEU A 96 8.453 -2.332 7.715 1.00 13.14 H new ATOM 0 HD21 LEU A 96 11.144 -1.887 9.149 1.00 22.44 H new ATOM 0 HD22 LEU A 96 10.979 -2.039 7.384 1.00 22.44 H new ATOM 0 HD23 LEU A 96 11.769 -0.606 8.084 1.00 22.44 H new ATOM 1220 N GLY A 97 10.673 3.127 5.596 1.00 30.52 N ATOM 1221 CA GLY A 97 10.968 3.760 4.324 1.00 24.04 C ATOM 1222 C GLY A 97 11.453 5.187 4.486 1.00 63.23 C ATOM 1223 O GLY A 97 12.657 5.442 4.500 1.00 25.44 O ATOM 0 H GLY A 97 11.295 3.391 6.360 1.00 30.52 H new ATOM 0 HA2 GLY A 97 11.727 3.179 3.800 1.00 24.04 H new ATOM 0 HA3 GLY A 97 10.073 3.752 3.701 1.00 24.04 H new ATOM 1227 N TYR A 98 10.515 6.119 4.604 1.00 25.14 N ATOM 1228 CA TYR A 98 10.854 7.528 4.761 1.00 64.42 C ATOM 1229 C TYR A 98 11.185 7.852 6.214 1.00 51.13 C ATOM 1230 O TYR A 98 10.292 8.074 7.032 1.00 44.34 O ATOM 1231 CB TYR A 98 9.697 8.409 4.282 1.00 63.01 C ATOM 1232 CG TYR A 98 10.083 9.856 4.076 1.00 12.11 C ATOM 1233 CD1 TYR A 98 10.636 10.284 2.876 1.00 53.53 C ATOM 1234 CD2 TYR A 98 9.893 10.796 5.082 1.00 14.42 C ATOM 1235 CE1 TYR A 98 10.990 11.606 2.683 1.00 3.43 C ATOM 1236 CE2 TYR A 98 10.244 12.119 4.898 1.00 72.14 C ATOM 1237 CZ TYR A 98 10.792 12.519 3.697 1.00 62.14 C ATOM 1238 OH TYR A 98 11.143 13.837 3.510 1.00 14.41 O ATOM 0 H TYR A 98 9.514 5.925 4.594 1.00 25.14 H new ATOM 0 HA TYR A 98 11.735 7.732 4.153 1.00 64.42 H new ATOM 0 HB2 TYR A 98 9.310 8.008 3.345 1.00 63.01 H new ATOM 0 HB3 TYR A 98 8.887 8.358 5.010 1.00 63.01 H new ATOM 0 HD1 TYR A 98 10.792 9.571 2.080 1.00 53.53 H new ATOM 0 HD2 TYR A 98 9.464 10.487 6.023 1.00 14.42 H new ATOM 0 HE1 TYR A 98 11.419 11.922 1.744 1.00 3.43 H new ATOM 0 HE2 TYR A 98 10.090 12.837 5.690 1.00 72.14 H new ATOM 0 HH TYR A 98 10.937 14.348 4.320 1.00 14.41 H new ATOM 1248 N ASP A 99 12.475 7.875 6.529 1.00 64.12 N ATOM 1249 CA ASP A 99 12.927 8.173 7.883 1.00 43.03 C ATOM 1250 C ASP A 99 13.090 9.675 8.084 1.00 30.11 C ATOM 1251 O ASP A 99 13.615 10.375 7.219 1.00 40.41 O ATOM 1252 CB ASP A 99 14.250 7.460 8.170 1.00 22.25 C ATOM 1253 CG ASP A 99 14.109 6.376 9.219 1.00 73.14 C ATOM 1254 OD1 ASP A 99 13.435 5.362 8.937 1.00 3.24 O ATOM 1255 OD2 ASP A 99 14.670 6.541 10.322 1.00 62.33 O ATOM 0 H ASP A 99 13.227 7.691 5.865 1.00 64.12 H new ATOM 0 HA ASP A 99 12.170 7.813 8.580 1.00 43.03 H new ATOM 0 HB2 ASP A 99 14.630 7.021 7.247 1.00 22.25 H new ATOM 0 HB3 ASP A 99 14.988 8.190 8.503 1.00 22.25 H new ATOM 1260 N GLY A 100 12.633 10.167 9.232 1.00 30.40 N ATOM 1261 CA GLY A 100 12.736 11.585 9.526 1.00 21.03 C ATOM 1262 C GLY A 100 13.169 11.851 10.954 1.00 71.20 C ATOM 1263 O GLY A 100 14.202 11.351 11.400 1.00 45.11 O ATOM 0 H GLY A 100 12.193 9.609 9.964 1.00 30.40 H new ATOM 0 HA2 GLY A 100 13.450 12.044 8.842 1.00 21.03 H new ATOM 0 HA3 GLY A 100 11.772 12.061 9.347 1.00 21.03 H new ATOM 1267 N ASN A 101 12.380 12.642 11.673 1.00 21.13 N ATOM 1268 CA ASN A 101 12.689 12.975 13.059 1.00 21.40 C ATOM 1269 C ASN A 101 14.046 13.665 13.162 1.00 52.20 C ATOM 1270 O ASN A 101 14.134 14.827 13.557 1.00 73.11 O ATOM 1271 CB ASN A 101 12.679 11.714 13.924 1.00 4.53 C ATOM 1272 CG ASN A 101 11.746 11.836 15.113 1.00 13.32 C ATOM 1273 OD1 ASN A 101 10.587 11.426 15.053 1.00 64.14 O ATOM 1274 ND2 ASN A 101 12.249 12.404 16.203 1.00 14.14 N ATOM 0 H ASN A 101 11.522 13.065 11.319 1.00 21.13 H new ATOM 0 HA ASN A 101 11.923 13.661 13.421 1.00 21.40 H new ATOM 0 HB2 ASN A 101 12.378 10.862 13.315 1.00 4.53 H new ATOM 0 HB3 ASN A 101 13.690 11.512 14.278 1.00 4.53 H new ATOM 0 HD21 ASN A 101 11.669 12.515 17.035 1.00 14.14 H new ATOM 0 HD22 ASN A 101 13.216 12.730 16.209 1.00 14.14 H new TER 1281 ASN A 101