USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 680 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 24 THR OG1 : rot -72:sc= 1.22 USER MOD Set 2.2: A 83 HIS : no HD1:sc= -1.01 K(o=0.2,f=-2.9) USER MOD Set 3.1: A 11 SER OG : rot 75:sc= 0.325 USER MOD Set 3.2: A 12 ASN : amide:sc= -2.74 K(o=-2.4,f=-3.7!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= 1.58 (180deg=0.334!) USER MOD Single : A 6 ASN :FLIP amide:sc=-0.00391 F(o=-0.77,f=-0.0039) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.189 USER MOD Single : A 47 TYR OH : rot 156:sc= 0.0138 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= -0.489 (180deg=-1.91!) USER MOD Single : A 55 THR OG1 : rot 126:sc= 1.54 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -3:sc= 0.058 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.194 F(o=-0.86,f=-0.19) USER MOD Single : A 69 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.19) USER MOD Single : A 71 SER OG : rot 67:sc= -0.838 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 49:sc= 0.0136 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -42:sc= -3.19! USER MOD Single : A 85 MET CE :methyl 154:sc= -0.0136 (180deg=-0.763) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0.814 (180deg=0.806) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -52:sc= 0.23 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.14 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.86! C(o=-4.9!,f=-6.6!) USER MOD Single : A 101 TYR OH : rot -33:sc= -1.35 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 3.888 -1.653 -0.940 1.00 53.12 N ATOM 9 CA ASN A 2 4.902 -2.663 -1.219 1.00 40.15 C ATOM 10 C ASN A 2 5.995 -2.646 -0.155 1.00 15.54 C ATOM 11 O ASN A 2 5.916 -1.896 0.819 1.00 42.45 O ATOM 12 CB ASN A 2 5.517 -2.430 -2.601 1.00 10.31 C ATOM 13 CG ASN A 2 4.536 -2.705 -3.724 1.00 63.23 C ATOM 14 OD1 ASN A 2 4.067 -1.784 -4.393 1.00 74.40 O ATOM 15 ND2 ASN A 2 4.222 -3.978 -3.937 1.00 3.15 N ATOM 0 HA ASN A 2 4.419 -3.640 -1.203 1.00 40.15 H new ATOM 0 HB2 ASN A 2 5.866 -1.400 -2.671 1.00 10.31 H new ATOM 0 HB3 ASN A 2 6.390 -3.071 -2.720 1.00 10.31 H new ATOM 0 HD21 ASN A 2 3.568 -4.225 -4.680 1.00 3.15 H new ATOM 0 HD22 ASN A 2 4.635 -4.709 -3.358 1.00 3.15 H new ATOM 22 N VAL A 3 7.014 -3.477 -0.347 1.00 12.03 N ATOM 23 CA VAL A 3 8.124 -3.556 0.596 1.00 75.54 C ATOM 24 C VAL A 3 9.450 -3.254 -0.091 1.00 45.23 C ATOM 25 O VAL A 3 9.954 -4.059 -0.876 1.00 54.44 O ATOM 26 CB VAL A 3 8.204 -4.947 1.252 1.00 34.44 C ATOM 27 CG1 VAL A 3 7.193 -5.063 2.383 1.00 32.02 C ATOM 28 CG2 VAL A 3 7.984 -6.039 0.216 1.00 53.00 C ATOM 0 H VAL A 3 7.094 -4.105 -1.147 1.00 12.03 H new ATOM 0 HA VAL A 3 7.939 -2.808 1.367 1.00 75.54 H new ATOM 0 HB VAL A 3 9.201 -5.073 1.673 1.00 34.44 H new ATOM 0 HG11 VAL A 3 7.264 -6.053 2.835 1.00 32.02 H new ATOM 0 HG12 VAL A 3 7.402 -4.304 3.137 1.00 32.02 H new ATOM 0 HG13 VAL A 3 6.188 -4.916 1.989 1.00 32.02 H new ATOM 0 HG21 VAL A 3 8.044 -7.015 0.698 1.00 53.00 H new ATOM 0 HG22 VAL A 3 7.000 -5.918 -0.237 1.00 53.00 H new ATOM 0 HG23 VAL A 3 8.750 -5.968 -0.556 1.00 53.00 H new ATOM 38 N LEU A 4 10.013 -2.089 0.209 1.00 5.33 N ATOM 39 CA LEU A 4 11.284 -1.679 -0.379 1.00 10.42 C ATOM 40 C LEU A 4 12.231 -1.142 0.690 1.00 54.31 C ATOM 41 O LEU A 4 11.796 -0.572 1.691 1.00 75.01 O ATOM 42 CB LEU A 4 11.052 -0.614 -1.452 1.00 55.40 C ATOM 43 CG LEU A 4 9.967 0.420 -1.148 1.00 11.32 C ATOM 44 CD1 LEU A 4 10.392 1.798 -1.631 1.00 5.23 C ATOM 45 CD2 LEU A 4 8.647 0.013 -1.787 1.00 44.12 C ATOM 0 H LEU A 4 9.610 -1.411 0.856 1.00 5.33 H new ATOM 0 HA LEU A 4 11.743 -2.555 -0.838 1.00 10.42 H new ATOM 0 HB2 LEU A 4 11.991 -0.087 -1.621 1.00 55.40 H new ATOM 0 HB3 LEU A 4 10.796 -1.116 -2.385 1.00 55.40 H new ATOM 0 HG LEU A 4 9.827 0.463 -0.068 1.00 11.32 H new ATOM 0 HD11 LEU A 4 9.607 2.520 -1.406 1.00 5.23 H new ATOM 0 HD12 LEU A 4 11.312 2.093 -1.126 1.00 5.23 H new ATOM 0 HD13 LEU A 4 10.562 1.770 -2.707 1.00 5.23 H new ATOM 0 HD21 LEU A 4 7.887 0.761 -1.560 1.00 44.12 H new ATOM 0 HD22 LEU A 4 8.773 -0.060 -2.867 1.00 44.12 H new ATOM 0 HD23 LEU A 4 8.334 -0.954 -1.392 1.00 44.12 H new ATOM 57 N LYS A 5 13.528 -1.325 0.470 1.00 60.31 N ATOM 58 CA LYS A 5 14.538 -0.857 1.411 1.00 0.24 C ATOM 59 C LYS A 5 15.916 -0.821 0.758 1.00 30.31 C ATOM 60 O LYS A 5 16.424 0.246 0.416 1.00 35.12 O ATOM 61 CB LYS A 5 14.571 -1.759 2.647 1.00 72.31 C ATOM 62 CG LYS A 5 15.587 -1.326 3.689 1.00 30.55 C ATOM 63 CD LYS A 5 15.287 0.067 4.216 1.00 40.13 C ATOM 64 CE LYS A 5 13.851 0.182 4.702 1.00 35.12 C ATOM 65 NZ LYS A 5 12.989 0.899 3.722 1.00 33.00 N ATOM 0 H LYS A 5 13.905 -1.795 -0.353 1.00 60.31 H new ATOM 0 HA LYS A 5 14.273 0.156 1.715 1.00 0.24 H new ATOM 0 HB2 LYS A 5 13.581 -1.774 3.102 1.00 72.31 H new ATOM 0 HB3 LYS A 5 14.795 -2.779 2.336 1.00 72.31 H new ATOM 0 HG2 LYS A 5 15.587 -2.036 4.516 1.00 30.55 H new ATOM 0 HG3 LYS A 5 16.586 -1.344 3.254 1.00 30.55 H new ATOM 0 HD2 LYS A 5 15.969 0.302 5.033 1.00 40.13 H new ATOM 0 HD3 LYS A 5 15.466 0.801 3.430 1.00 40.13 H new ATOM 0 HE2 LYS A 5 13.447 -0.815 4.880 1.00 35.12 H new ATOM 0 HE3 LYS A 5 13.832 0.709 5.656 1.00 35.12 H new ATOM 0 HZ1 LYS A 5 12.107 1.196 4.187 1.00 33.00 H new ATOM 0 HZ2 LYS A 5 13.491 1.737 3.366 1.00 33.00 H new ATOM 0 HZ3 LYS A 5 12.765 0.266 2.928 1.00 33.00 H new ATOM 79 N ASN A 6 16.515 -1.995 0.587 1.00 61.21 N ATOM 80 CA ASN A 6 17.834 -2.098 -0.027 1.00 3.24 C ATOM 81 C ASN A 6 17.807 -1.586 -1.464 1.00 20.42 C ATOM 82 O ASN A 6 16.763 -1.589 -2.115 1.00 21.34 O ATOM 83 CB ASN A 6 18.321 -3.548 0.001 1.00 4.14 C ATOM 84 CG ASN A 6 19.055 -3.936 -1.268 1.00 4.14 C ATOM 85 OD1 ASN A 6 20.381 -3.860 -1.231 1.00 70.14 O flip ATOM 86 ND2 ASN A 6 18.438 -4.300 -2.268 1.00 53.41 N flip ATOM 0 H ASN A 6 16.108 -2.888 0.865 1.00 61.21 H new ATOM 0 HA ASN A 6 18.524 -1.479 0.547 1.00 3.24 H new ATOM 0 HB2 ASN A 6 18.981 -3.690 0.857 1.00 4.14 H new ATOM 0 HB3 ASN A 6 17.468 -4.212 0.142 1.00 4.14 H new ATOM 0 HD21 ASN A 6 17.419 -4.343 -2.251 1.00 53.41 H new ATOM 0 HD22 ASN A 6 18.945 -4.559 -3.114 1.00 53.41 H new ATOM 93 N ASN A 7 18.963 -1.148 -1.952 1.00 71.53 N ATOM 94 CA ASN A 7 19.072 -0.634 -3.313 1.00 20.04 C ATOM 95 C ASN A 7 18.791 0.865 -3.351 1.00 50.14 C ATOM 96 O ASN A 7 19.690 1.671 -3.595 1.00 73.03 O ATOM 97 CB ASN A 7 18.101 -1.370 -4.238 1.00 22.41 C ATOM 98 CG ASN A 7 18.599 -1.430 -5.669 1.00 25.30 C ATOM 99 OD1 ASN A 7 18.998 -0.416 -6.242 1.00 65.40 O ATOM 100 ND2 ASN A 7 18.578 -2.623 -6.253 1.00 41.42 N ATOM 0 H ASN A 7 19.837 -1.139 -1.426 1.00 71.53 H new ATOM 0 HA ASN A 7 20.092 -0.804 -3.659 1.00 20.04 H new ATOM 0 HB2 ASN A 7 17.947 -2.383 -3.867 1.00 22.41 H new ATOM 0 HB3 ASN A 7 17.132 -0.871 -4.214 1.00 22.41 H new ATOM 0 HD21 ASN A 7 18.901 -2.726 -7.215 1.00 41.42 H new ATOM 0 HD22 ASN A 7 18.239 -3.436 -5.739 1.00 41.42 H new ATOM 107 N THR A 8 17.537 1.233 -3.108 1.00 52.15 N ATOM 108 CA THR A 8 17.136 2.634 -3.116 1.00 3.41 C ATOM 109 C THR A 8 16.536 3.042 -1.775 1.00 73.24 C ATOM 110 O THR A 8 15.542 2.478 -1.316 1.00 25.22 O ATOM 111 CB THR A 8 16.114 2.921 -4.232 1.00 31.51 C ATOM 112 OG1 THR A 8 16.643 2.510 -5.498 1.00 14.12 O ATOM 113 CG2 THR A 8 15.764 4.400 -4.279 1.00 14.25 C ATOM 0 H THR A 8 16.781 0.579 -2.903 1.00 52.15 H new ATOM 0 HA THR A 8 18.037 3.219 -3.301 1.00 3.41 H new ATOM 0 HB THR A 8 15.207 2.357 -4.017 1.00 31.51 H new ATOM 0 HG1 THR A 8 15.987 2.694 -6.202 1.00 14.12 H new ATOM 0 HG21 THR A 8 15.041 4.578 -5.075 1.00 14.25 H new ATOM 0 HG22 THR A 8 15.334 4.703 -3.324 1.00 14.25 H new ATOM 0 HG23 THR A 8 16.666 4.981 -4.472 1.00 14.25 H new ATOM 121 N PRO A 9 17.150 4.045 -1.131 1.00 51.34 N ATOM 122 CA PRO A 9 16.692 4.551 0.166 1.00 54.42 C ATOM 123 C PRO A 9 15.367 5.299 0.061 1.00 33.01 C ATOM 124 O PRO A 9 15.033 5.848 -0.989 1.00 63.23 O ATOM 125 CB PRO A 9 17.811 5.505 0.590 1.00 24.34 C ATOM 126 CG PRO A 9 18.445 5.938 -0.687 1.00 31.54 C ATOM 127 CD PRO A 9 18.339 4.764 -1.620 1.00 72.42 C ATOM 0 HA PRO A 9 16.508 3.745 0.876 1.00 54.42 H new ATOM 0 HB2 PRO A 9 17.416 6.356 1.144 1.00 24.34 H new ATOM 0 HB3 PRO A 9 18.530 5.007 1.240 1.00 24.34 H new ATOM 0 HG2 PRO A 9 17.938 6.811 -1.098 1.00 31.54 H new ATOM 0 HG3 PRO A 9 19.486 6.219 -0.530 1.00 31.54 H new ATOM 0 HD2 PRO A 9 18.218 5.083 -2.655 1.00 72.42 H new ATOM 0 HD3 PRO A 9 19.231 4.138 -1.582 1.00 72.42 H new ATOM 135 N VAL A 10 14.614 5.317 1.157 1.00 44.11 N ATOM 136 CA VAL A 10 13.326 5.999 1.189 1.00 41.14 C ATOM 137 C VAL A 10 13.497 7.484 1.491 1.00 64.52 C ATOM 138 O VAL A 10 13.929 7.860 2.580 1.00 22.13 O ATOM 139 CB VAL A 10 12.388 5.377 2.240 1.00 53.42 C ATOM 140 CG1 VAL A 10 11.065 6.127 2.285 1.00 51.01 C ATOM 141 CG2 VAL A 10 12.164 3.901 1.947 1.00 12.50 C ATOM 0 H VAL A 10 14.874 4.867 2.034 1.00 44.11 H new ATOM 0 HA VAL A 10 12.881 5.882 0.201 1.00 41.14 H new ATOM 0 HB VAL A 10 12.860 5.462 3.219 1.00 53.42 H new ATOM 0 HG11 VAL A 10 10.415 5.673 3.033 1.00 51.01 H new ATOM 0 HG12 VAL A 10 11.246 7.170 2.546 1.00 51.01 H new ATOM 0 HG13 VAL A 10 10.584 6.076 1.308 1.00 51.01 H new ATOM 0 HG21 VAL A 10 11.499 3.478 2.700 1.00 12.50 H new ATOM 0 HG22 VAL A 10 11.713 3.790 0.961 1.00 12.50 H new ATOM 0 HG23 VAL A 10 13.119 3.376 1.971 1.00 12.50 H new ATOM 151 N SER A 11 13.156 8.323 0.519 1.00 55.14 N ATOM 152 CA SER A 11 13.274 9.768 0.679 1.00 24.51 C ATOM 153 C SER A 11 12.020 10.347 1.325 1.00 10.44 C ATOM 154 O SER A 11 10.998 9.672 1.438 1.00 11.10 O ATOM 155 CB SER A 11 13.518 10.434 -0.676 1.00 43.12 C ATOM 156 OG SER A 11 12.670 9.890 -1.672 1.00 55.21 O ATOM 0 H SER A 11 12.796 8.027 -0.388 1.00 55.14 H new ATOM 0 HA SER A 11 14.123 9.968 1.332 1.00 24.51 H new ATOM 0 HB2 SER A 11 13.345 11.507 -0.594 1.00 43.12 H new ATOM 0 HB3 SER A 11 14.560 10.300 -0.968 1.00 43.12 H new ATOM 0 HG SER A 11 11.761 10.236 -1.552 1.00 55.21 H new ATOM 162 N ASN A 12 12.107 11.604 1.748 1.00 10.44 N ATOM 163 CA ASN A 12 10.980 12.277 2.384 1.00 33.54 C ATOM 164 C ASN A 12 10.238 11.327 3.321 1.00 5.41 C ATOM 165 O ASN A 12 9.031 11.124 3.189 1.00 52.33 O ATOM 166 CB ASN A 12 10.019 12.819 1.325 1.00 53.03 C ATOM 167 CG ASN A 12 9.576 11.750 0.344 1.00 12.14 C ATOM 168 OD1 ASN A 12 10.306 11.403 -0.584 1.00 54.13 O ATOM 169 ND2 ASN A 12 8.374 11.223 0.547 1.00 21.33 N ATOM 0 H ASN A 12 12.946 12.177 1.662 1.00 10.44 H new ATOM 0 HA ASN A 12 11.370 13.109 2.971 1.00 33.54 H new ATOM 0 HB2 ASN A 12 9.143 13.243 1.816 1.00 53.03 H new ATOM 0 HB3 ASN A 12 10.503 13.630 0.780 1.00 53.03 H new ATOM 0 HD21 ASN A 12 8.022 10.500 -0.080 1.00 21.33 H new ATOM 0 HD22 ASN A 12 7.803 11.542 1.330 1.00 21.33 H new ATOM 176 N LEU A 13 10.969 10.749 4.268 1.00 41.12 N ATOM 177 CA LEU A 13 10.382 9.821 5.228 1.00 14.42 C ATOM 178 C LEU A 13 9.265 10.493 6.021 1.00 75.14 C ATOM 179 O LEU A 13 8.905 11.641 5.758 1.00 51.14 O ATOM 180 CB LEU A 13 11.455 9.297 6.183 1.00 64.20 C ATOM 181 CG LEU A 13 12.059 7.936 5.832 1.00 15.13 C ATOM 182 CD1 LEU A 13 13.431 7.781 6.468 1.00 23.01 C ATOM 183 CD2 LEU A 13 11.133 6.812 6.276 1.00 43.42 C ATOM 0 H LEU A 13 11.969 10.907 4.391 1.00 41.12 H new ATOM 0 HA LEU A 13 9.958 8.984 4.674 1.00 14.42 H new ATOM 0 HB2 LEU A 13 12.261 10.029 6.229 1.00 64.20 H new ATOM 0 HB3 LEU A 13 11.024 9.234 7.182 1.00 64.20 H new ATOM 0 HG LEU A 13 12.175 7.879 4.750 1.00 15.13 H new ATOM 0 HD11 LEU A 13 13.845 6.807 6.207 1.00 23.01 H new ATOM 0 HD12 LEU A 13 14.093 8.566 6.102 1.00 23.01 H new ATOM 0 HD13 LEU A 13 13.341 7.859 7.551 1.00 23.01 H new ATOM 0 HD21 LEU A 13 11.578 5.851 6.019 1.00 43.42 H new ATOM 0 HD22 LEU A 13 10.986 6.866 7.355 1.00 43.42 H new ATOM 0 HD23 LEU A 13 10.171 6.913 5.773 1.00 43.42 H new ATOM 195 N THR A 14 8.720 9.770 6.994 1.00 15.23 N ATOM 196 CA THR A 14 7.644 10.296 7.826 1.00 24.32 C ATOM 197 C THR A 14 7.802 9.849 9.275 1.00 11.11 C ATOM 198 O THR A 14 8.138 8.697 9.547 1.00 52.31 O ATOM 199 CB THR A 14 6.264 9.847 7.310 1.00 42.22 C ATOM 200 OG1 THR A 14 6.279 8.444 7.027 1.00 64.33 O ATOM 201 CG2 THR A 14 5.879 10.618 6.057 1.00 55.45 C ATOM 0 H THR A 14 9.006 8.819 7.226 1.00 15.23 H new ATOM 0 HA THR A 14 7.707 11.383 7.774 1.00 24.32 H new ATOM 0 HB THR A 14 5.526 10.052 8.086 1.00 42.22 H new ATOM 0 HG1 THR A 14 5.397 8.167 6.701 1.00 64.33 H new ATOM 0 HG21 THR A 14 4.901 10.284 5.711 1.00 55.45 H new ATOM 0 HG22 THR A 14 5.840 11.684 6.283 1.00 55.45 H new ATOM 0 HG23 THR A 14 6.620 10.440 5.278 1.00 55.45 H new ATOM 209 N GLY A 15 7.556 10.769 10.203 1.00 2.03 N ATOM 210 CA GLY A 15 7.676 10.450 11.614 1.00 73.21 C ATOM 211 C GLY A 15 6.535 11.016 12.435 1.00 14.33 C ATOM 212 O GLY A 15 6.758 11.745 13.401 1.00 21.41 O ATOM 0 H GLY A 15 7.276 11.729 10.003 1.00 2.03 H new ATOM 0 HA2 GLY A 15 7.706 9.367 11.737 1.00 73.21 H new ATOM 0 HA3 GLY A 15 8.621 10.840 11.993 1.00 73.21 H new ATOM 216 N ASN A 16 5.307 10.682 12.050 1.00 43.44 N ATOM 217 CA ASN A 16 4.126 11.165 12.756 1.00 22.01 C ATOM 218 C ASN A 16 3.932 10.412 14.069 1.00 4.30 C ATOM 219 O ASN A 16 4.141 9.201 14.140 1.00 0.00 O ATOM 220 CB ASN A 16 2.883 11.011 11.878 1.00 34.44 C ATOM 221 CG ASN A 16 1.868 12.113 12.114 1.00 62.02 C ATOM 222 OD1 ASN A 16 1.144 12.103 13.109 1.00 32.02 O ATOM 223 ND2 ASN A 16 1.812 13.071 11.196 1.00 70.11 N ATOM 0 H ASN A 16 5.104 10.079 11.253 1.00 43.44 H new ATOM 0 HA ASN A 16 4.274 12.221 12.982 1.00 22.01 H new ATOM 0 HB2 ASN A 16 3.180 11.013 10.829 1.00 34.44 H new ATOM 0 HB3 ASN A 16 2.419 10.045 12.076 1.00 34.44 H new ATOM 0 HD21 ASN A 16 1.149 13.839 11.300 1.00 70.11 H new ATOM 0 HD22 ASN A 16 2.432 13.039 10.387 1.00 70.11 H new ATOM 230 N LYS A 17 3.531 11.138 15.107 1.00 3.31 N ATOM 231 CA LYS A 17 3.307 10.541 16.418 1.00 32.20 C ATOM 232 C LYS A 17 2.408 9.313 16.310 1.00 41.12 C ATOM 233 O LYS A 17 2.480 8.405 17.136 1.00 33.42 O ATOM 234 CB LYS A 17 2.678 11.564 17.367 1.00 42.03 C ATOM 235 CG LYS A 17 1.595 12.409 16.719 1.00 40.02 C ATOM 236 CD LYS A 17 2.095 13.808 16.400 1.00 62.13 C ATOM 237 CE LYS A 17 1.013 14.852 16.627 1.00 52.14 C ATOM 238 NZ LYS A 17 -0.096 14.725 15.641 1.00 70.22 N ATOM 0 H LYS A 17 3.354 12.142 15.065 1.00 3.31 H new ATOM 0 HA LYS A 17 4.272 10.230 16.817 1.00 32.20 H new ATOM 0 HB2 LYS A 17 2.254 11.040 18.224 1.00 42.03 H new ATOM 0 HB3 LYS A 17 3.459 12.221 17.750 1.00 42.03 H new ATOM 0 HG2 LYS A 17 1.254 11.926 15.803 1.00 40.02 H new ATOM 0 HG3 LYS A 17 0.734 12.472 17.385 1.00 40.02 H new ATOM 0 HD2 LYS A 17 2.960 14.037 17.023 1.00 62.13 H new ATOM 0 HD3 LYS A 17 2.429 13.848 15.363 1.00 62.13 H new ATOM 0 HE2 LYS A 17 0.615 14.749 17.636 1.00 52.14 H new ATOM 0 HE3 LYS A 17 1.449 15.848 16.557 1.00 52.14 H new ATOM 0 HZ1 LYS A 17 -0.813 15.454 15.829 1.00 70.22 H new ATOM 0 HZ2 LYS A 17 0.279 14.849 14.679 1.00 70.22 H new ATOM 0 HZ3 LYS A 17 -0.529 13.783 15.725 1.00 70.22 H new ATOM 252 N GLY A 18 1.563 9.292 15.284 1.00 53.54 N ATOM 253 CA GLY A 18 0.663 8.171 15.086 1.00 64.22 C ATOM 254 C GLY A 18 1.019 7.352 13.861 1.00 54.04 C ATOM 255 O GLY A 18 1.329 6.166 13.967 1.00 33.50 O ATOM 0 H GLY A 18 1.486 10.032 14.586 1.00 53.54 H new ATOM 0 HA2 GLY A 18 0.686 7.530 15.967 1.00 64.22 H new ATOM 0 HA3 GLY A 18 -0.358 8.541 14.988 1.00 64.22 H new ATOM 259 N SER A 19 0.972 7.986 12.693 1.00 20.12 N ATOM 260 CA SER A 19 1.286 7.307 11.442 1.00 62.24 C ATOM 261 C SER A 19 2.698 6.729 11.476 1.00 11.33 C ATOM 262 O SER A 19 3.607 7.320 12.058 1.00 11.22 O ATOM 263 CB SER A 19 1.147 8.273 10.264 1.00 41.23 C ATOM 264 OG SER A 19 -0.159 8.225 9.716 1.00 62.33 O ATOM 0 H SER A 19 0.719 8.969 12.588 1.00 20.12 H new ATOM 0 HA SER A 19 0.579 6.487 11.316 1.00 62.24 H new ATOM 0 HB2 SER A 19 1.369 9.288 10.594 1.00 41.23 H new ATOM 0 HB3 SER A 19 1.877 8.021 9.495 1.00 41.23 H new ATOM 0 HG SER A 19 -0.222 8.853 8.966 1.00 62.33 H new ATOM 270 N GLU A 20 2.872 5.570 10.849 1.00 42.53 N ATOM 271 CA GLU A 20 4.173 4.912 10.809 1.00 53.25 C ATOM 272 C GLU A 20 4.441 4.322 9.427 1.00 4.21 C ATOM 273 O GLU A 20 3.555 4.282 8.574 1.00 60.23 O ATOM 274 CB GLU A 20 4.245 3.811 11.868 1.00 33.04 C ATOM 275 CG GLU A 20 3.871 4.283 13.263 1.00 11.33 C ATOM 276 CD GLU A 20 2.578 3.667 13.761 1.00 70.20 C ATOM 277 OE1 GLU A 20 1.719 3.329 12.920 1.00 12.13 O ATOM 278 OE2 GLU A 20 2.426 3.522 14.992 1.00 20.12 O ATOM 0 H GLU A 20 2.130 5.068 10.362 1.00 42.53 H new ATOM 0 HA GLU A 20 4.937 5.660 11.021 1.00 53.25 H new ATOM 0 HB2 GLU A 20 3.581 2.997 11.579 1.00 33.04 H new ATOM 0 HB3 GLU A 20 5.256 3.405 11.890 1.00 33.04 H new ATOM 0 HG2 GLU A 20 4.677 4.036 13.954 1.00 11.33 H new ATOM 0 HG3 GLU A 20 3.775 5.369 13.261 1.00 11.33 H new ATOM 285 N VAL A 21 5.672 3.866 9.214 1.00 34.31 N ATOM 286 CA VAL A 21 6.058 3.277 7.937 1.00 3.34 C ATOM 287 C VAL A 21 6.969 2.072 8.141 1.00 31.33 C ATOM 288 O VAL A 21 7.899 2.112 8.947 1.00 31.21 O ATOM 289 CB VAL A 21 6.776 4.303 7.041 1.00 43.51 C ATOM 290 CG1 VAL A 21 5.855 4.777 5.927 1.00 30.11 C ATOM 291 CG2 VAL A 21 7.273 5.479 7.869 1.00 34.13 C ATOM 0 H VAL A 21 6.418 3.893 9.909 1.00 34.31 H new ATOM 0 HA VAL A 21 5.140 2.956 7.446 1.00 3.34 H new ATOM 0 HB VAL A 21 7.639 3.819 6.585 1.00 43.51 H new ATOM 0 HG11 VAL A 21 6.380 5.501 5.304 1.00 30.11 H new ATOM 0 HG12 VAL A 21 5.553 3.925 5.317 1.00 30.11 H new ATOM 0 HG13 VAL A 21 4.971 5.244 6.360 1.00 30.11 H new ATOM 0 HG21 VAL A 21 7.778 6.194 7.219 1.00 34.13 H new ATOM 0 HG22 VAL A 21 6.427 5.965 8.355 1.00 34.13 H new ATOM 0 HG23 VAL A 21 7.971 5.122 8.626 1.00 34.13 H new ATOM 301 N PHE A 22 6.696 1.000 7.405 1.00 33.42 N ATOM 302 CA PHE A 22 7.490 -0.219 7.505 1.00 22.12 C ATOM 303 C PHE A 22 7.751 -0.813 6.124 1.00 4.11 C ATOM 304 O PHE A 22 6.982 -0.597 5.188 1.00 74.02 O ATOM 305 CB PHE A 22 6.778 -1.246 8.388 1.00 24.31 C ATOM 306 CG PHE A 22 5.408 -1.613 7.895 1.00 12.03 C ATOM 307 CD1 PHE A 22 4.313 -0.821 8.201 1.00 35.20 C ATOM 308 CD2 PHE A 22 5.215 -2.749 7.126 1.00 34.01 C ATOM 309 CE1 PHE A 22 3.050 -1.157 7.749 1.00 2.15 C ATOM 310 CE2 PHE A 22 3.954 -3.090 6.671 1.00 5.53 C ATOM 311 CZ PHE A 22 2.871 -2.292 6.983 1.00 41.33 C ATOM 0 H PHE A 22 5.931 0.951 6.733 1.00 33.42 H new ATOM 0 HA PHE A 22 8.448 0.037 7.958 1.00 22.12 H new ATOM 0 HB2 PHE A 22 7.388 -2.148 8.447 1.00 24.31 H new ATOM 0 HB3 PHE A 22 6.697 -0.849 9.400 1.00 24.31 H new ATOM 0 HD1 PHE A 22 4.447 0.068 8.799 1.00 35.20 H new ATOM 0 HD2 PHE A 22 6.059 -3.376 6.879 1.00 34.01 H new ATOM 0 HE1 PHE A 22 2.204 -0.532 7.995 1.00 2.15 H new ATOM 0 HE2 PHE A 22 3.817 -3.979 6.073 1.00 5.53 H new ATOM 0 HZ PHE A 22 1.885 -2.555 6.628 1.00 41.33 H new ATOM 321 N TYR A 23 8.842 -1.561 6.005 1.00 25.24 N ATOM 322 CA TYR A 23 9.208 -2.184 4.739 1.00 70.13 C ATOM 323 C TYR A 23 9.924 -3.511 4.971 1.00 73.32 C ATOM 324 O TYR A 23 10.341 -3.819 6.088 1.00 45.13 O ATOM 325 CB TYR A 23 10.100 -1.246 3.924 1.00 64.31 C ATOM 326 CG TYR A 23 9.585 0.173 3.857 1.00 52.55 C ATOM 327 CD1 TYR A 23 8.697 0.565 2.862 1.00 31.22 C ATOM 328 CD2 TYR A 23 9.985 1.123 4.788 1.00 1.53 C ATOM 329 CE1 TYR A 23 8.224 1.861 2.797 1.00 41.15 C ATOM 330 CE2 TYR A 23 9.516 2.422 4.731 1.00 22.22 C ATOM 331 CZ TYR A 23 8.636 2.786 3.733 1.00 23.23 C ATOM 332 OH TYR A 23 8.166 4.078 3.672 1.00 25.32 O ATOM 0 H TYR A 23 9.489 -1.751 6.771 1.00 25.24 H new ATOM 0 HA TYR A 23 8.292 -2.379 4.181 1.00 70.13 H new ATOM 0 HB2 TYR A 23 11.100 -1.241 4.358 1.00 64.31 H new ATOM 0 HB3 TYR A 23 10.195 -1.637 2.911 1.00 64.31 H new ATOM 0 HD1 TYR A 23 8.371 -0.156 2.127 1.00 31.22 H new ATOM 0 HD2 TYR A 23 10.675 0.842 5.570 1.00 1.53 H new ATOM 0 HE1 TYR A 23 7.535 2.149 2.017 1.00 41.15 H new ATOM 0 HE2 TYR A 23 9.837 3.148 5.464 1.00 22.22 H new ATOM 0 HH TYR A 23 8.553 4.602 4.405 1.00 25.32 H new ATOM 342 N THR A 24 10.062 -4.295 3.906 1.00 25.42 N ATOM 343 CA THR A 24 10.727 -5.590 3.992 1.00 54.13 C ATOM 344 C THR A 24 11.654 -5.812 2.802 1.00 13.22 C ATOM 345 O THR A 24 11.324 -5.457 1.670 1.00 12.44 O ATOM 346 CB THR A 24 9.706 -6.742 4.055 1.00 41.13 C ATOM 347 OG1 THR A 24 8.806 -6.540 5.150 1.00 50.32 O ATOM 348 CG2 THR A 24 10.411 -8.081 4.211 1.00 34.03 C ATOM 0 H THR A 24 9.722 -4.056 2.974 1.00 25.42 H new ATOM 0 HA THR A 24 11.314 -5.584 4.910 1.00 54.13 H new ATOM 0 HB THR A 24 9.144 -6.752 3.121 1.00 41.13 H new ATOM 0 HG1 THR A 24 9.275 -6.706 5.994 1.00 50.32 H new ATOM 0 HG21 THR A 24 9.670 -8.879 4.253 1.00 34.03 H new ATOM 0 HG22 THR A 24 11.073 -8.245 3.361 1.00 34.03 H new ATOM 0 HG23 THR A 24 10.996 -8.079 5.131 1.00 34.03 H new ATOM 356 N PHE A 25 12.815 -6.402 3.065 1.00 30.01 N ATOM 357 CA PHE A 25 13.791 -6.671 2.015 1.00 34.32 C ATOM 358 C PHE A 25 14.773 -7.755 2.451 1.00 52.15 C ATOM 359 O PHE A 25 14.956 -8.001 3.643 1.00 22.02 O ATOM 360 CB PHE A 25 14.551 -5.393 1.656 1.00 55.13 C ATOM 361 CG PHE A 25 14.712 -5.187 0.177 1.00 75.14 C ATOM 362 CD1 PHE A 25 15.690 -5.869 -0.528 1.00 44.25 C ATOM 363 CD2 PHE A 25 13.884 -4.313 -0.509 1.00 11.53 C ATOM 364 CE1 PHE A 25 15.841 -5.681 -1.889 1.00 41.53 C ATOM 365 CE2 PHE A 25 14.030 -4.121 -1.870 1.00 14.52 C ATOM 366 CZ PHE A 25 15.009 -4.806 -2.561 1.00 71.40 C ATOM 0 H PHE A 25 13.103 -6.703 3.996 1.00 30.01 H new ATOM 0 HA PHE A 25 13.253 -7.024 1.135 1.00 34.32 H new ATOM 0 HB2 PHE A 25 14.026 -4.537 2.079 1.00 55.13 H new ATOM 0 HB3 PHE A 25 15.537 -5.424 2.120 1.00 55.13 H new ATOM 0 HD1 PHE A 25 16.342 -6.555 -0.008 1.00 44.25 H new ATOM 0 HD2 PHE A 25 13.115 -3.775 0.026 1.00 11.53 H new ATOM 0 HE1 PHE A 25 16.609 -6.218 -2.427 1.00 41.53 H new ATOM 0 HE2 PHE A 25 13.379 -3.436 -2.392 1.00 14.52 H new ATOM 0 HZ PHE A 25 15.125 -4.658 -3.625 1.00 71.40 H new ATOM 376 N THR A 26 15.403 -8.401 1.474 1.00 32.23 N ATOM 377 CA THR A 26 16.365 -9.459 1.755 1.00 72.42 C ATOM 378 C THR A 26 17.689 -9.201 1.045 1.00 72.21 C ATOM 379 O THR A 26 17.792 -8.304 0.208 1.00 14.12 O ATOM 380 CB THR A 26 15.825 -10.837 1.326 1.00 65.03 C ATOM 381 OG1 THR A 26 15.827 -10.941 -0.102 1.00 43.35 O ATOM 382 CG2 THR A 26 14.415 -11.054 1.853 1.00 23.43 C ATOM 0 H THR A 26 15.264 -8.210 0.482 1.00 32.23 H new ATOM 0 HA THR A 26 16.528 -9.460 2.833 1.00 72.42 H new ATOM 0 HB THR A 26 16.475 -11.604 1.747 1.00 65.03 H new ATOM 0 HG1 THR A 26 15.484 -11.820 -0.366 1.00 43.35 H new ATOM 0 HG21 THR A 26 14.055 -12.033 1.537 1.00 23.43 H new ATOM 0 HG22 THR A 26 14.422 -11.004 2.942 1.00 23.43 H new ATOM 0 HG23 THR A 26 13.756 -10.281 1.458 1.00 23.43 H new ATOM 390 N VAL A 27 18.701 -9.994 1.383 1.00 10.33 N ATOM 391 CA VAL A 27 20.019 -9.852 0.777 1.00 41.35 C ATOM 392 C VAL A 27 20.324 -11.019 -0.155 1.00 72.41 C ATOM 393 O VAL A 27 19.586 -12.004 -0.195 1.00 55.34 O ATOM 394 CB VAL A 27 21.123 -9.762 1.847 1.00 50.31 C ATOM 395 CG1 VAL A 27 20.968 -8.491 2.669 1.00 51.05 C ATOM 396 CG2 VAL A 27 21.098 -10.991 2.742 1.00 62.40 C ATOM 0 H VAL A 27 18.633 -10.742 2.074 1.00 10.33 H new ATOM 0 HA VAL A 27 20.004 -8.926 0.202 1.00 41.35 H new ATOM 0 HB VAL A 27 22.090 -9.726 1.345 1.00 50.31 H new ATOM 0 HG11 VAL A 27 21.757 -8.445 3.420 1.00 51.05 H new ATOM 0 HG12 VAL A 27 21.039 -7.623 2.014 1.00 51.05 H new ATOM 0 HG13 VAL A 27 19.996 -8.494 3.163 1.00 51.05 H new ATOM 0 HG21 VAL A 27 21.885 -10.911 3.492 1.00 62.40 H new ATOM 0 HG22 VAL A 27 20.130 -11.061 3.238 1.00 62.40 H new ATOM 0 HG23 VAL A 27 21.262 -11.884 2.139 1.00 62.40 H new ATOM 406 N ASP A 28 21.416 -10.903 -0.902 1.00 60.22 N ATOM 407 CA ASP A 28 21.820 -11.950 -1.833 1.00 63.24 C ATOM 408 C ASP A 28 22.938 -12.803 -1.241 1.00 11.34 C ATOM 409 O ASP A 28 22.747 -13.986 -0.959 1.00 51.05 O ATOM 410 CB ASP A 28 22.278 -11.336 -3.157 1.00 70.13 C ATOM 411 CG ASP A 28 21.123 -11.076 -4.104 1.00 42.44 C ATOM 412 OD1 ASP A 28 20.145 -10.424 -3.682 1.00 24.20 O ATOM 413 OD2 ASP A 28 21.197 -11.524 -5.268 1.00 11.11 O ATOM 0 H ASP A 28 22.037 -10.094 -0.881 1.00 60.22 H new ATOM 0 HA ASP A 28 20.957 -12.590 -2.017 1.00 63.24 H new ATOM 0 HB2 ASP A 28 22.800 -10.400 -2.959 1.00 70.13 H new ATOM 0 HB3 ASP A 28 22.994 -12.004 -3.636 1.00 70.13 H new ATOM 418 N ARG A 29 24.104 -12.194 -1.054 1.00 44.24 N ATOM 419 CA ARG A 29 25.253 -12.898 -0.497 1.00 43.44 C ATOM 420 C ARG A 29 25.826 -12.143 0.699 1.00 54.21 C ATOM 421 O ARG A 29 25.746 -10.917 0.768 1.00 61.13 O ATOM 422 CB ARG A 29 26.334 -13.078 -1.565 1.00 3.03 C ATOM 423 CG ARG A 29 27.575 -13.797 -1.060 1.00 35.30 C ATOM 424 CD ARG A 29 27.273 -15.244 -0.703 1.00 73.43 C ATOM 425 NE ARG A 29 28.491 -16.031 -0.531 1.00 20.14 N ATOM 426 CZ ARG A 29 28.494 -17.320 -0.209 1.00 2.13 C ATOM 427 NH1 ARG A 29 27.350 -17.964 -0.026 1.00 13.31 N ATOM 428 NH2 ARG A 29 29.644 -17.967 -0.070 1.00 20.34 N ATOM 0 H ARG A 29 24.278 -11.215 -1.280 1.00 44.24 H new ATOM 0 HA ARG A 29 24.918 -13.879 -0.159 1.00 43.44 H new ATOM 0 HB2 ARG A 29 25.916 -13.637 -2.402 1.00 3.03 H new ATOM 0 HB3 ARG A 29 26.622 -12.099 -1.947 1.00 3.03 H new ATOM 0 HG2 ARG A 29 28.352 -13.764 -1.824 1.00 35.30 H new ATOM 0 HG3 ARG A 29 27.966 -13.279 -0.184 1.00 35.30 H new ATOM 0 HD2 ARG A 29 26.688 -15.276 0.216 1.00 73.43 H new ATOM 0 HD3 ARG A 29 26.661 -15.690 -1.486 1.00 73.43 H new ATOM 0 HE ARG A 29 29.389 -15.566 -0.665 1.00 20.14 H new ATOM 0 HH11 ARG A 29 26.464 -17.470 -0.132 1.00 13.31 H new ATOM 0 HH12 ARG A 29 27.356 -18.954 0.221 1.00 13.31 H new ATOM 0 HH21 ARG A 29 30.526 -17.475 -0.210 1.00 20.34 H new ATOM 0 HH22 ARG A 29 29.646 -18.957 0.177 1.00 20.34 H new ATOM 442 N ASN A 30 26.402 -12.884 1.639 1.00 33.44 N ATOM 443 CA ASN A 30 26.986 -12.285 2.834 1.00 63.42 C ATOM 444 C ASN A 30 27.941 -11.154 2.463 1.00 14.05 C ATOM 445 O ASN A 30 28.957 -11.376 1.805 1.00 15.44 O ATOM 446 CB ASN A 30 27.727 -13.346 3.651 1.00 43.40 C ATOM 447 CG ASN A 30 28.674 -12.736 4.667 1.00 55.40 C ATOM 448 OD1 ASN A 30 28.249 -12.265 5.723 1.00 63.42 O ATOM 449 ND2 ASN A 30 29.963 -12.740 4.351 1.00 24.44 N ATOM 0 H ASN A 30 26.477 -13.900 1.597 1.00 33.44 H new ATOM 0 HA ASN A 30 26.177 -11.872 3.436 1.00 63.42 H new ATOM 0 HB2 ASN A 30 27.002 -13.976 4.166 1.00 43.40 H new ATOM 0 HB3 ASN A 30 28.289 -13.993 2.977 1.00 43.40 H new ATOM 0 HD21 ASN A 30 30.647 -12.342 4.994 1.00 24.44 H new ATOM 0 HD22 ASN A 30 30.270 -13.141 3.465 1.00 24.44 H new ATOM 456 N ALA A 31 27.606 -9.941 2.892 1.00 61.22 N ATOM 457 CA ALA A 31 28.434 -8.776 2.608 1.00 50.51 C ATOM 458 C ALA A 31 28.472 -7.826 3.800 1.00 3.14 C ATOM 459 O ALA A 31 27.485 -7.677 4.521 1.00 10.33 O ATOM 460 CB ALA A 31 27.921 -8.053 1.371 1.00 2.52 C ATOM 0 H ALA A 31 26.768 -9.740 3.437 1.00 61.22 H new ATOM 0 HA ALA A 31 29.451 -9.121 2.419 1.00 50.51 H new ATOM 0 HB1 ALA A 31 28.549 -7.185 1.170 1.00 2.52 H new ATOM 0 HB2 ALA A 31 27.952 -8.728 0.516 1.00 2.52 H new ATOM 0 HB3 ALA A 31 26.895 -7.727 1.539 1.00 2.52 H new ATOM 466 N THR A 32 29.619 -7.185 4.004 1.00 22.02 N ATOM 467 CA THR A 32 29.787 -6.251 5.110 1.00 32.25 C ATOM 468 C THR A 32 29.760 -4.808 4.621 1.00 52.14 C ATOM 469 O THR A 32 30.713 -4.334 4.003 1.00 21.22 O ATOM 470 CB THR A 32 31.108 -6.502 5.862 1.00 51.31 C ATOM 471 OG1 THR A 32 31.363 -5.429 6.775 1.00 43.40 O ATOM 472 CG2 THR A 32 32.269 -6.632 4.887 1.00 35.02 C ATOM 0 H THR A 32 30.446 -7.296 3.417 1.00 22.02 H new ATOM 0 HA THR A 32 28.953 -6.416 5.792 1.00 32.25 H new ATOM 0 HB THR A 32 31.014 -7.436 6.417 1.00 51.31 H new ATOM 0 HG1 THR A 32 32.204 -5.597 7.250 1.00 43.40 H new ATOM 0 HG21 THR A 32 33.191 -6.809 5.441 1.00 35.02 H new ATOM 0 HG22 THR A 32 32.085 -7.468 4.212 1.00 35.02 H new ATOM 0 HG23 THR A 32 32.363 -5.713 4.309 1.00 35.02 H new ATOM 480 N ALA A 33 28.662 -4.113 4.901 1.00 71.34 N ATOM 481 CA ALA A 33 28.513 -2.723 4.491 1.00 55.45 C ATOM 482 C ALA A 33 27.926 -1.878 5.617 1.00 73.25 C ATOM 483 O ALA A 33 27.121 -2.361 6.414 1.00 43.03 O ATOM 484 CB ALA A 33 27.639 -2.630 3.248 1.00 0.42 C ATOM 0 H ALA A 33 27.863 -4.491 5.410 1.00 71.34 H new ATOM 0 HA ALA A 33 29.503 -2.331 4.256 1.00 55.45 H new ATOM 0 HB1 ALA A 33 27.536 -1.586 2.953 1.00 0.42 H new ATOM 0 HB2 ALA A 33 28.100 -3.193 2.436 1.00 0.42 H new ATOM 0 HB3 ALA A 33 26.654 -3.045 3.464 1.00 0.42 H new ATOM 490 N VAL A 34 28.334 -0.615 5.677 1.00 53.51 N ATOM 491 CA VAL A 34 27.848 0.297 6.705 1.00 11.55 C ATOM 492 C VAL A 34 26.884 1.323 6.120 1.00 43.43 C ATOM 493 O VAL A 34 27.280 2.185 5.334 1.00 12.14 O ATOM 494 CB VAL A 34 29.010 1.036 7.395 1.00 2.21 C ATOM 495 CG1 VAL A 34 29.921 1.682 6.362 1.00 71.53 C ATOM 496 CG2 VAL A 34 28.477 2.075 8.370 1.00 30.34 C ATOM 0 H VAL A 34 29.000 -0.200 5.026 1.00 53.51 H new ATOM 0 HA VAL A 34 27.324 -0.310 7.443 1.00 11.55 H new ATOM 0 HB VAL A 34 29.596 0.309 7.958 1.00 2.21 H new ATOM 0 HG11 VAL A 34 30.736 2.199 6.868 1.00 71.53 H new ATOM 0 HG12 VAL A 34 30.331 0.913 5.707 1.00 71.53 H new ATOM 0 HG13 VAL A 34 29.350 2.397 5.770 1.00 71.53 H new ATOM 0 HG21 VAL A 34 29.312 2.587 8.848 1.00 30.34 H new ATOM 0 HG22 VAL A 34 27.867 2.800 7.831 1.00 30.34 H new ATOM 0 HG23 VAL A 34 27.870 1.583 9.130 1.00 30.34 H new ATOM 506 N VAL A 35 25.617 1.225 6.507 1.00 14.43 N ATOM 507 CA VAL A 35 24.595 2.146 6.022 1.00 4.10 C ATOM 508 C VAL A 35 23.825 2.772 7.179 1.00 2.12 C ATOM 509 O VAL A 35 23.504 2.101 8.160 1.00 63.00 O ATOM 510 CB VAL A 35 23.602 1.438 5.082 1.00 30.41 C ATOM 511 CG1 VAL A 35 22.748 2.456 4.342 1.00 33.33 C ATOM 512 CG2 VAL A 35 24.343 0.539 4.103 1.00 2.44 C ATOM 0 H VAL A 35 25.273 0.517 7.155 1.00 14.43 H new ATOM 0 HA VAL A 35 25.112 2.929 5.468 1.00 4.10 H new ATOM 0 HB VAL A 35 22.941 0.814 5.684 1.00 30.41 H new ATOM 0 HG11 VAL A 35 22.052 1.937 3.683 1.00 33.33 H new ATOM 0 HG12 VAL A 35 22.188 3.053 5.062 1.00 33.33 H new ATOM 0 HG13 VAL A 35 23.390 3.108 3.751 1.00 33.33 H new ATOM 0 HG21 VAL A 35 23.626 0.047 3.447 1.00 2.44 H new ATOM 0 HG22 VAL A 35 25.029 1.139 3.506 1.00 2.44 H new ATOM 0 HG23 VAL A 35 24.906 -0.214 4.655 1.00 2.44 H new ATOM 522 N SER A 36 23.531 4.063 7.058 1.00 70.43 N ATOM 523 CA SER A 36 22.801 4.781 8.095 1.00 13.14 C ATOM 524 C SER A 36 21.702 5.646 7.486 1.00 13.42 C ATOM 525 O SER A 36 21.675 5.874 6.276 1.00 4.54 O ATOM 526 CB SER A 36 23.757 5.652 8.912 1.00 24.10 C ATOM 527 OG SER A 36 23.983 6.897 8.275 1.00 50.50 O ATOM 0 H SER A 36 23.788 4.633 6.252 1.00 70.43 H new ATOM 0 HA SER A 36 22.338 4.046 8.753 1.00 13.14 H new ATOM 0 HB2 SER A 36 23.342 5.819 9.906 1.00 24.10 H new ATOM 0 HB3 SER A 36 24.705 5.131 9.045 1.00 24.10 H new ATOM 0 HG SER A 36 24.596 7.436 8.818 1.00 50.50 H new ATOM 533 N ILE A 37 20.797 6.125 8.333 1.00 14.10 N ATOM 534 CA ILE A 37 19.696 6.966 7.879 1.00 30.02 C ATOM 535 C ILE A 37 19.858 8.399 8.376 1.00 72.33 C ATOM 536 O ILE A 37 20.371 8.633 9.470 1.00 41.23 O ATOM 537 CB ILE A 37 18.337 6.420 8.355 1.00 31.04 C ATOM 538 CG1 ILE A 37 17.934 7.076 9.678 1.00 41.24 C ATOM 539 CG2 ILE A 37 18.397 4.907 8.505 1.00 0.23 C ATOM 540 CD1 ILE A 37 18.784 6.642 10.851 1.00 32.13 C ATOM 0 H ILE A 37 20.804 5.945 9.337 1.00 14.10 H new ATOM 0 HA ILE A 37 19.720 6.957 6.789 1.00 30.02 H new ATOM 0 HB ILE A 37 17.583 6.662 7.606 1.00 31.04 H new ATOM 0 HG12 ILE A 37 18.001 8.159 9.572 1.00 41.24 H new ATOM 0 HG13 ILE A 37 16.891 6.840 9.888 1.00 41.24 H new ATOM 0 HG21 ILE A 37 17.429 4.536 8.842 1.00 0.23 H new ATOM 0 HG22 ILE A 37 18.644 4.456 7.544 1.00 0.23 H new ATOM 0 HG23 ILE A 37 19.161 4.644 9.237 1.00 0.23 H new ATOM 0 HD11 ILE A 37 18.442 7.146 11.755 1.00 32.13 H new ATOM 0 HD12 ILE A 37 18.698 5.563 10.983 1.00 32.13 H new ATOM 0 HD13 ILE A 37 19.825 6.903 10.662 1.00 32.13 H new ATOM 552 N SER A 38 19.415 9.354 7.565 1.00 73.15 N ATOM 553 CA SER A 38 19.512 10.765 7.920 1.00 20.32 C ATOM 554 C SER A 38 18.979 11.647 6.795 1.00 64.41 C ATOM 555 O SER A 38 18.860 11.209 5.652 1.00 74.35 O ATOM 556 CB SER A 38 20.964 11.135 8.230 1.00 15.34 C ATOM 557 OG SER A 38 21.139 12.541 8.243 1.00 3.44 O ATOM 0 H SER A 38 18.985 9.176 6.657 1.00 73.15 H new ATOM 0 HA SER A 38 18.903 10.934 8.808 1.00 20.32 H new ATOM 0 HB2 SER A 38 21.250 10.721 9.197 1.00 15.34 H new ATOM 0 HB3 SER A 38 21.623 10.690 7.485 1.00 15.34 H new ATOM 0 HG SER A 38 22.074 12.752 8.445 1.00 3.44 H new ATOM 563 N GLY A 39 18.661 12.894 7.129 1.00 72.41 N ATOM 564 CA GLY A 39 18.145 13.818 6.137 1.00 55.42 C ATOM 565 C GLY A 39 17.519 15.050 6.762 1.00 63.31 C ATOM 566 O GLY A 39 17.941 16.174 6.492 1.00 73.41 O ATOM 0 H GLY A 39 18.752 13.280 8.069 1.00 72.41 H new ATOM 0 HA2 GLY A 39 18.954 14.122 5.473 1.00 55.42 H new ATOM 0 HA3 GLY A 39 17.403 13.309 5.522 1.00 55.42 H new ATOM 595 N ASP A 43 13.421 12.306 14.124 1.00 52.41 N ATOM 596 CA ASP A 43 12.049 11.930 14.444 1.00 72.31 C ATOM 597 C ASP A 43 11.710 10.562 13.859 1.00 24.13 C ATOM 598 O ASP A 43 10.556 10.135 13.880 1.00 42.51 O ATOM 599 CB ASP A 43 11.072 12.980 13.914 1.00 51.52 C ATOM 600 CG ASP A 43 10.834 14.102 14.905 1.00 3.43 C ATOM 601 OD1 ASP A 43 10.197 13.847 15.948 1.00 33.10 O ATOM 602 OD2 ASP A 43 11.285 15.236 14.638 1.00 0.22 O ATOM 0 HA ASP A 43 11.958 11.875 15.529 1.00 72.31 H new ATOM 0 HB2 ASP A 43 11.460 13.396 12.984 1.00 51.52 H new ATOM 0 HB3 ASP A 43 10.122 12.501 13.677 1.00 51.52 H new ATOM 607 N ALA A 44 12.725 9.880 13.338 1.00 74.43 N ATOM 608 CA ALA A 44 12.535 8.560 12.748 1.00 12.13 C ATOM 609 C ALA A 44 13.377 7.512 13.467 1.00 62.52 C ATOM 610 O ALA A 44 14.603 7.611 13.512 1.00 4.33 O ATOM 611 CB ALA A 44 12.877 8.590 11.266 1.00 23.11 C ATOM 0 H ALA A 44 13.687 10.219 13.312 1.00 74.43 H new ATOM 0 HA ALA A 44 11.486 8.286 12.861 1.00 12.13 H new ATOM 0 HB1 ALA A 44 12.731 7.598 10.839 1.00 23.11 H new ATOM 0 HB2 ALA A 44 12.229 9.304 10.757 1.00 23.11 H new ATOM 0 HB3 ALA A 44 13.917 8.890 11.139 1.00 23.11 H new ATOM 617 N ASP A 45 12.712 6.508 14.027 1.00 32.42 N ATOM 618 CA ASP A 45 13.400 5.440 14.744 1.00 72.12 C ATOM 619 C ASP A 45 13.789 4.311 13.794 1.00 14.03 C ATOM 620 O ASP A 45 13.054 3.991 12.859 1.00 53.31 O ATOM 621 CB ASP A 45 12.514 4.897 15.866 1.00 20.21 C ATOM 622 CG ASP A 45 12.189 5.949 16.908 1.00 55.34 C ATOM 623 OD1 ASP A 45 12.633 7.105 16.743 1.00 62.20 O ATOM 624 OD2 ASP A 45 11.488 5.618 17.887 1.00 64.22 O ATOM 0 H ASP A 45 11.697 6.411 13.999 1.00 32.42 H new ATOM 0 HA ASP A 45 14.310 5.855 15.179 1.00 72.12 H new ATOM 0 HB2 ASP A 45 11.587 4.514 15.440 1.00 20.21 H new ATOM 0 HB3 ASP A 45 13.015 4.057 16.346 1.00 20.21 H new ATOM 629 N LEU A 46 14.948 3.711 14.040 1.00 43.51 N ATOM 630 CA LEU A 46 15.436 2.618 13.206 1.00 1.21 C ATOM 631 C LEU A 46 15.244 1.275 13.902 1.00 33.24 C ATOM 632 O LEU A 46 15.601 1.112 15.070 1.00 52.25 O ATOM 633 CB LEU A 46 16.914 2.826 12.872 1.00 24.45 C ATOM 634 CG LEU A 46 17.625 1.644 12.211 1.00 3.40 C ATOM 635 CD1 LEU A 46 18.668 2.136 11.219 1.00 12.21 C ATOM 636 CD2 LEU A 46 18.267 0.751 13.263 1.00 52.12 C ATOM 0 H LEU A 46 15.568 3.963 14.810 1.00 43.51 H new ATOM 0 HA LEU A 46 14.858 2.613 12.282 1.00 1.21 H new ATOM 0 HB2 LEU A 46 16.999 3.690 12.213 1.00 24.45 H new ATOM 0 HB3 LEU A 46 17.443 3.074 13.792 1.00 24.45 H new ATOM 0 HG LEU A 46 16.884 1.057 11.668 1.00 3.40 H new ATOM 0 HD11 LEU A 46 19.164 1.281 10.758 1.00 12.21 H new ATOM 0 HD12 LEU A 46 18.183 2.733 10.447 1.00 12.21 H new ATOM 0 HD13 LEU A 46 19.406 2.746 11.740 1.00 12.21 H new ATOM 0 HD21 LEU A 46 18.768 -0.085 12.774 1.00 52.12 H new ATOM 0 HD22 LEU A 46 18.995 1.327 13.834 1.00 52.12 H new ATOM 0 HD23 LEU A 46 17.498 0.370 13.935 1.00 52.12 H new ATOM 648 N TYR A 47 14.680 0.315 13.178 1.00 34.34 N ATOM 649 CA TYR A 47 14.440 -1.015 13.726 1.00 33.04 C ATOM 650 C TYR A 47 14.957 -2.095 12.782 1.00 63.25 C ATOM 651 O TYR A 47 15.058 -1.883 11.572 1.00 33.23 O ATOM 652 CB TYR A 47 12.946 -1.221 13.985 1.00 23.13 C ATOM 653 CG TYR A 47 12.441 -0.507 15.219 1.00 43.34 C ATOM 654 CD1 TYR A 47 12.145 0.850 15.187 1.00 11.32 C ATOM 655 CD2 TYR A 47 12.260 -1.189 16.415 1.00 33.41 C ATOM 656 CE1 TYR A 47 11.684 1.507 16.312 1.00 62.12 C ATOM 657 CE2 TYR A 47 11.798 -0.541 17.544 1.00 31.23 C ATOM 658 CZ TYR A 47 11.512 0.807 17.488 1.00 60.02 C ATOM 659 OH TYR A 47 11.052 1.457 18.610 1.00 52.22 O ATOM 0 H TYR A 47 14.380 0.433 12.210 1.00 34.34 H new ATOM 0 HA TYR A 47 14.980 -1.094 14.669 1.00 33.04 H new ATOM 0 HB2 TYR A 47 12.384 -0.872 13.118 1.00 23.13 H new ATOM 0 HB3 TYR A 47 12.747 -2.288 14.086 1.00 23.13 H new ATOM 0 HD1 TYR A 47 12.277 1.401 14.267 1.00 11.32 H new ATOM 0 HD2 TYR A 47 12.484 -2.244 16.463 1.00 33.41 H new ATOM 0 HE1 TYR A 47 11.460 2.563 16.271 1.00 62.12 H new ATOM 0 HE2 TYR A 47 11.661 -1.087 18.466 1.00 31.23 H new ATOM 0 HH TYR A 47 10.628 0.810 19.212 1.00 52.22 H new ATOM 669 N LEU A 48 15.284 -3.255 13.342 1.00 40.44 N ATOM 670 CA LEU A 48 15.791 -4.371 12.550 1.00 10.45 C ATOM 671 C LEU A 48 15.505 -5.701 13.240 1.00 52.14 C ATOM 672 O LEU A 48 15.736 -5.854 14.439 1.00 15.33 O ATOM 673 CB LEU A 48 17.295 -4.216 12.320 1.00 42.04 C ATOM 674 CG LEU A 48 17.793 -4.530 10.909 1.00 45.25 C ATOM 675 CD1 LEU A 48 19.312 -4.470 10.853 1.00 41.10 C ATOM 676 CD2 LEU A 48 17.295 -5.895 10.458 1.00 31.33 C ATOM 0 H LEU A 48 15.207 -3.447 14.341 1.00 40.44 H new ATOM 0 HA LEU A 48 15.280 -4.364 11.587 1.00 10.45 H new ATOM 0 HB2 LEU A 48 17.576 -3.191 12.563 1.00 42.04 H new ATOM 0 HB3 LEU A 48 17.819 -4.865 13.022 1.00 42.04 H new ATOM 0 HG LEU A 48 17.394 -3.777 10.229 1.00 45.25 H new ATOM 0 HD11 LEU A 48 19.648 -4.696 9.841 1.00 41.10 H new ATOM 0 HD12 LEU A 48 19.647 -3.471 11.132 1.00 41.10 H new ATOM 0 HD13 LEU A 48 19.731 -5.200 11.546 1.00 41.10 H new ATOM 0 HD21 LEU A 48 17.659 -6.101 9.452 1.00 31.33 H new ATOM 0 HD22 LEU A 48 17.663 -6.661 11.141 1.00 31.33 H new ATOM 0 HD23 LEU A 48 16.205 -5.903 10.458 1.00 31.33 H new ATOM 688 N LYS A 49 15.003 -6.663 12.472 1.00 15.45 N ATOM 689 CA LYS A 49 14.688 -7.982 13.007 1.00 73.22 C ATOM 690 C LYS A 49 14.872 -9.059 11.942 1.00 41.41 C ATOM 691 O LYS A 49 14.283 -8.986 10.864 1.00 42.42 O ATOM 692 CB LYS A 49 13.251 -8.012 13.534 1.00 24.20 C ATOM 693 CG LYS A 49 13.144 -8.459 14.982 1.00 41.32 C ATOM 694 CD LYS A 49 11.786 -9.073 15.277 1.00 70.02 C ATOM 695 CE LYS A 49 11.620 -9.374 16.758 1.00 24.34 C ATOM 696 NZ LYS A 49 10.399 -10.183 17.027 1.00 51.31 N ATOM 0 H LYS A 49 14.806 -6.553 11.477 1.00 15.45 H new ATOM 0 HA LYS A 49 15.374 -8.186 13.829 1.00 73.22 H new ATOM 0 HB2 LYS A 49 12.816 -7.017 13.436 1.00 24.20 H new ATOM 0 HB3 LYS A 49 12.658 -8.682 12.911 1.00 24.20 H new ATOM 0 HG2 LYS A 49 13.927 -9.185 15.198 1.00 41.32 H new ATOM 0 HG3 LYS A 49 13.309 -7.606 15.640 1.00 41.32 H new ATOM 0 HD2 LYS A 49 10.999 -8.392 14.953 1.00 70.02 H new ATOM 0 HD3 LYS A 49 11.669 -9.992 14.703 1.00 70.02 H new ATOM 0 HE2 LYS A 49 12.497 -9.910 17.120 1.00 24.34 H new ATOM 0 HE3 LYS A 49 11.566 -8.438 17.315 1.00 24.34 H new ATOM 0 HZ1 LYS A 49 10.322 -10.367 18.048 1.00 51.31 H new ATOM 0 HZ2 LYS A 49 9.559 -9.661 16.705 1.00 51.31 H new ATOM 0 HZ3 LYS A 49 10.462 -11.087 16.516 1.00 51.31 H new ATOM 710 N ALA A 50 15.692 -10.057 12.252 1.00 21.33 N ATOM 711 CA ALA A 50 15.951 -11.150 11.323 1.00 33.32 C ATOM 712 C ALA A 50 14.839 -12.193 11.379 1.00 3.11 C ATOM 713 O ALA A 50 14.962 -13.209 12.062 1.00 15.33 O ATOM 714 CB ALA A 50 17.296 -11.793 11.626 1.00 60.30 C ATOM 0 H ALA A 50 16.189 -10.131 13.140 1.00 21.33 H new ATOM 0 HA ALA A 50 15.977 -10.738 10.314 1.00 33.32 H new ATOM 0 HB1 ALA A 50 17.476 -12.608 10.925 1.00 60.30 H new ATOM 0 HB2 ALA A 50 18.086 -11.048 11.528 1.00 60.30 H new ATOM 0 HB3 ALA A 50 17.291 -12.185 12.643 1.00 60.30 H new ATOM 720 N GLY A 51 13.754 -11.934 10.656 1.00 40.02 N ATOM 721 CA GLY A 51 12.636 -12.859 10.638 1.00 22.30 C ATOM 722 C GLY A 51 11.302 -12.154 10.498 1.00 51.11 C ATOM 723 O GLY A 51 10.758 -12.053 9.398 1.00 33.44 O ATOM 0 H GLY A 51 13.629 -11.100 10.082 1.00 40.02 H new ATOM 0 HA2 GLY A 51 12.761 -13.560 9.812 1.00 22.30 H new ATOM 0 HA3 GLY A 51 12.639 -13.445 11.557 1.00 22.30 H new ATOM 727 N SER A 52 10.772 -11.665 11.615 1.00 63.41 N ATOM 728 CA SER A 52 9.490 -10.971 11.613 1.00 42.32 C ATOM 729 C SER A 52 9.681 -9.478 11.861 1.00 1.53 C ATOM 730 O SER A 52 10.462 -9.074 12.724 1.00 73.13 O ATOM 731 CB SER A 52 8.564 -11.562 12.677 1.00 31.02 C ATOM 732 OG SER A 52 8.585 -12.979 12.641 1.00 13.52 O ATOM 0 H SER A 52 11.211 -11.737 12.533 1.00 63.41 H new ATOM 0 HA SER A 52 9.034 -11.104 10.632 1.00 42.32 H new ATOM 0 HB2 SER A 52 8.871 -11.216 13.664 1.00 31.02 H new ATOM 0 HB3 SER A 52 7.546 -11.206 12.516 1.00 31.02 H new ATOM 0 HG SER A 52 7.986 -13.333 13.332 1.00 13.52 H new ATOM 738 N LYS A 53 8.962 -8.661 11.099 1.00 41.32 N ATOM 739 CA LYS A 53 9.049 -7.212 11.235 1.00 43.42 C ATOM 740 C LYS A 53 9.100 -6.805 12.704 1.00 30.11 C ATOM 741 O LYS A 53 8.242 -7.176 13.506 1.00 64.33 O ATOM 742 CB LYS A 53 7.856 -6.542 10.550 1.00 13.23 C ATOM 743 CG LYS A 53 8.141 -5.126 10.078 1.00 32.44 C ATOM 744 CD LYS A 53 7.768 -4.101 11.136 1.00 43.54 C ATOM 745 CE LYS A 53 6.310 -3.686 11.020 1.00 15.23 C ATOM 746 NZ LYS A 53 5.734 -3.309 12.341 1.00 10.10 N ATOM 0 H LYS A 53 8.312 -8.978 10.380 1.00 41.32 H new ATOM 0 HA LYS A 53 9.969 -6.882 10.753 1.00 43.42 H new ATOM 0 HB2 LYS A 53 7.552 -7.146 9.695 1.00 13.23 H new ATOM 0 HB3 LYS A 53 7.014 -6.523 11.242 1.00 13.23 H new ATOM 0 HG2 LYS A 53 9.199 -5.029 9.833 1.00 32.44 H new ATOM 0 HG3 LYS A 53 7.582 -4.927 9.164 1.00 32.44 H new ATOM 0 HD2 LYS A 53 7.951 -4.516 12.127 1.00 43.54 H new ATOM 0 HD3 LYS A 53 8.406 -3.223 11.035 1.00 43.54 H new ATOM 0 HE2 LYS A 53 6.226 -2.844 10.333 1.00 15.23 H new ATOM 0 HE3 LYS A 53 5.732 -4.505 10.592 1.00 15.23 H new ATOM 0 HZ1 LYS A 53 4.920 -3.921 12.552 1.00 10.10 H new ATOM 0 HZ2 LYS A 53 6.456 -3.426 13.081 1.00 10.10 H new ATOM 0 HZ3 LYS A 53 5.424 -2.317 12.314 1.00 10.10 H new ATOM 760 N PRO A 54 10.127 -6.023 13.068 1.00 63.04 N ATOM 761 CA PRO A 54 10.313 -5.548 14.442 1.00 53.42 C ATOM 762 C PRO A 54 9.260 -4.521 14.847 1.00 65.10 C ATOM 763 O PRO A 54 8.851 -3.685 14.041 1.00 15.22 O ATOM 764 CB PRO A 54 11.702 -4.906 14.411 1.00 50.54 C ATOM 765 CG PRO A 54 11.904 -4.509 12.989 1.00 62.12 C ATOM 766 CD PRO A 54 11.187 -5.542 12.165 1.00 73.22 C ATOM 0 HA PRO A 54 10.218 -6.355 15.169 1.00 53.42 H new ATOM 0 HB2 PRO A 54 11.754 -4.043 15.074 1.00 50.54 H new ATOM 0 HB3 PRO A 54 12.470 -5.607 14.739 1.00 50.54 H new ATOM 0 HG2 PRO A 54 11.503 -3.513 12.801 1.00 62.12 H new ATOM 0 HG3 PRO A 54 12.965 -4.478 12.739 1.00 62.12 H new ATOM 0 HD2 PRO A 54 10.773 -5.112 11.253 1.00 73.22 H new ATOM 0 HD3 PRO A 54 11.854 -6.349 11.863 1.00 73.22 H new ATOM 774 N THR A 55 8.826 -4.589 16.102 1.00 62.03 N ATOM 775 CA THR A 55 7.821 -3.666 16.614 1.00 61.13 C ATOM 776 C THR A 55 8.457 -2.587 17.483 1.00 62.24 C ATOM 777 O THR A 55 9.668 -2.590 17.708 1.00 31.24 O ATOM 778 CB THR A 55 6.747 -4.404 17.435 1.00 24.13 C ATOM 779 OG1 THR A 55 7.095 -4.386 18.824 1.00 13.43 O ATOM 780 CG2 THR A 55 6.599 -5.843 16.964 1.00 51.24 C ATOM 0 H THR A 55 9.155 -5.274 16.782 1.00 62.03 H new ATOM 0 HA THR A 55 7.350 -3.200 15.749 1.00 61.13 H new ATOM 0 HB THR A 55 5.796 -3.892 17.291 1.00 24.13 H new ATOM 0 HG1 THR A 55 6.349 -4.019 19.343 1.00 13.43 H new ATOM 0 HG21 THR A 55 5.835 -6.344 17.559 1.00 51.24 H new ATOM 0 HG22 THR A 55 6.307 -5.854 15.914 1.00 51.24 H new ATOM 0 HG23 THR A 55 7.549 -6.364 17.081 1.00 51.24 H new ATOM 788 N THR A 56 7.634 -1.664 17.970 1.00 73.05 N ATOM 789 CA THR A 56 8.116 -0.578 18.814 1.00 70.43 C ATOM 790 C THR A 56 8.713 -1.114 20.110 1.00 15.44 C ATOM 791 O THR A 56 9.439 -0.407 20.809 1.00 52.31 O ATOM 792 CB THR A 56 6.987 0.414 19.152 1.00 24.13 C ATOM 793 OG1 THR A 56 5.990 -0.232 19.951 1.00 21.51 O ATOM 794 CG2 THR A 56 6.351 0.963 17.884 1.00 2.03 C ATOM 0 H THR A 56 6.629 -1.647 17.794 1.00 73.05 H new ATOM 0 HA THR A 56 8.889 -0.057 18.249 1.00 70.43 H new ATOM 0 HB THR A 56 7.418 1.244 19.712 1.00 24.13 H new ATOM 0 HG1 THR A 56 5.277 0.406 20.163 1.00 21.51 H new ATOM 0 HG21 THR A 56 5.557 1.661 18.148 1.00 2.03 H new ATOM 0 HG22 THR A 56 7.107 1.480 17.292 1.00 2.03 H new ATOM 0 HG23 THR A 56 5.933 0.142 17.301 1.00 2.03 H new ATOM 802 N SER A 57 8.402 -2.367 20.426 1.00 11.23 N ATOM 803 CA SER A 57 8.905 -2.996 21.642 1.00 44.03 C ATOM 804 C SER A 57 9.801 -4.185 21.307 1.00 72.01 C ATOM 805 O SER A 57 10.681 -4.552 22.085 1.00 3.41 O ATOM 806 CB SER A 57 7.742 -3.452 22.525 1.00 42.42 C ATOM 807 OG SER A 57 7.136 -2.350 23.178 1.00 10.12 O ATOM 0 H SER A 57 7.804 -2.967 19.857 1.00 11.23 H new ATOM 0 HA SER A 57 9.496 -2.259 22.185 1.00 44.03 H new ATOM 0 HB2 SER A 57 7.001 -3.971 21.917 1.00 42.42 H new ATOM 0 HB3 SER A 57 8.102 -4.165 23.266 1.00 42.42 H new ATOM 0 HG SER A 57 6.395 -2.667 23.735 1.00 10.12 H new ATOM 813 N SER A 58 9.569 -4.784 20.143 1.00 15.50 N ATOM 814 CA SER A 58 10.351 -5.934 19.705 1.00 14.25 C ATOM 815 C SER A 58 11.377 -5.524 18.654 1.00 25.30 C ATOM 816 O SER A 58 11.030 -4.951 17.622 1.00 72.24 O ATOM 817 CB SER A 58 9.430 -7.018 19.141 1.00 5.01 C ATOM 818 OG SER A 58 9.582 -8.235 19.850 1.00 20.43 O ATOM 0 H SER A 58 8.845 -4.492 19.486 1.00 15.50 H new ATOM 0 HA SER A 58 10.882 -6.333 20.569 1.00 14.25 H new ATOM 0 HB2 SER A 58 8.393 -6.686 19.200 1.00 5.01 H new ATOM 0 HB3 SER A 58 9.654 -7.177 18.086 1.00 5.01 H new ATOM 0 HG SER A 58 8.982 -8.911 19.472 1.00 20.43 H new ATOM 824 N TRP A 59 12.643 -5.823 18.925 1.00 52.22 N ATOM 825 CA TRP A 59 13.722 -5.486 18.003 1.00 55.04 C ATOM 826 C TRP A 59 14.890 -6.453 18.156 1.00 44.13 C ATOM 827 O TRP A 59 15.094 -7.031 19.223 1.00 34.43 O ATOM 828 CB TRP A 59 14.195 -4.052 18.242 1.00 45.52 C ATOM 829 CG TRP A 59 13.875 -3.541 19.614 1.00 32.11 C ATOM 830 CD1 TRP A 59 12.696 -2.991 20.029 1.00 34.31 C ATOM 831 CD2 TRP A 59 14.746 -3.532 20.750 1.00 1.41 C ATOM 832 NE1 TRP A 59 12.781 -2.641 21.355 1.00 44.51 N ATOM 833 CE2 TRP A 59 14.029 -2.962 21.821 1.00 73.45 C ATOM 834 CE3 TRP A 59 16.061 -3.950 20.968 1.00 24.30 C ATOM 835 CZ2 TRP A 59 14.585 -2.801 23.087 1.00 72.52 C ATOM 836 CZ3 TRP A 59 16.612 -3.790 22.225 1.00 11.53 C ATOM 837 CH2 TRP A 59 15.874 -3.220 23.272 1.00 64.02 C ATOM 0 H TRP A 59 12.947 -6.298 19.775 1.00 52.22 H new ATOM 0 HA TRP A 59 13.338 -5.569 16.986 1.00 55.04 H new ATOM 0 HB2 TRP A 59 15.273 -4.002 18.086 1.00 45.52 H new ATOM 0 HB3 TRP A 59 13.735 -3.397 17.502 1.00 45.52 H new ATOM 0 HD1 TRP A 59 11.825 -2.852 19.406 1.00 34.31 H new ATOM 0 HE1 TRP A 59 12.036 -2.212 21.904 1.00 44.51 H new ATOM 0 HE3 TRP A 59 16.637 -4.391 20.168 1.00 24.30 H new ATOM 0 HZ2 TRP A 59 14.019 -2.361 23.895 1.00 72.52 H new ATOM 0 HZ3 TRP A 59 17.628 -4.109 22.404 1.00 11.53 H new ATOM 0 HH2 TRP A 59 16.332 -3.110 24.244 1.00 64.02 H new ATOM 848 N ASP A 60 15.656 -6.623 17.083 1.00 33.54 N ATOM 849 CA ASP A 60 16.806 -7.520 17.100 1.00 72.03 C ATOM 850 C ASP A 60 18.111 -6.730 17.093 1.00 72.02 C ATOM 851 O ASP A 60 19.035 -7.033 17.848 1.00 65.33 O ATOM 852 CB ASP A 60 16.760 -8.464 15.897 1.00 24.23 C ATOM 853 CG ASP A 60 17.759 -9.599 16.014 1.00 1.21 C ATOM 854 OD1 ASP A 60 17.804 -10.242 17.084 1.00 63.23 O ATOM 855 OD2 ASP A 60 18.495 -9.844 15.036 1.00 50.14 O ATOM 0 H ASP A 60 15.501 -6.152 16.192 1.00 33.54 H new ATOM 0 HA ASP A 60 16.764 -8.109 18.016 1.00 72.03 H new ATOM 0 HB2 ASP A 60 15.756 -8.876 15.800 1.00 24.23 H new ATOM 0 HB3 ASP A 60 16.961 -7.899 14.987 1.00 24.23 H new ATOM 860 N CYS A 61 18.179 -5.718 16.236 1.00 52.44 N ATOM 861 CA CYS A 61 19.372 -4.885 16.129 1.00 54.11 C ATOM 862 C CYS A 61 18.999 -3.438 15.823 1.00 11.24 C ATOM 863 O CYS A 61 18.341 -3.154 14.822 1.00 13.05 O ATOM 864 CB CYS A 61 20.301 -5.426 15.041 1.00 13.41 C ATOM 865 SG CYS A 61 20.872 -7.116 15.331 1.00 32.45 S ATOM 0 H CYS A 61 17.422 -5.454 15.605 1.00 52.44 H new ATOM 0 HA CYS A 61 19.892 -4.912 17.087 1.00 54.11 H new ATOM 0 HB2 CYS A 61 19.782 -5.389 14.083 1.00 13.41 H new ATOM 0 HB3 CYS A 61 21.168 -4.770 14.959 1.00 13.41 H new ATOM 0 HG CYS A 61 20.419 -7.537 16.475 1.00 32.45 H new ATOM 871 N ARG A 62 19.423 -2.527 16.693 1.00 12.22 N ATOM 872 CA ARG A 62 19.131 -1.109 16.518 1.00 61.11 C ATOM 873 C ARG A 62 19.786 -0.279 17.618 1.00 22.21 C ATOM 874 O ARG A 62 20.042 -0.759 18.723 1.00 60.03 O ATOM 875 CB ARG A 62 17.620 -0.874 16.518 1.00 15.24 C ATOM 876 CG ARG A 62 17.017 -0.789 17.911 1.00 12.11 C ATOM 877 CD ARG A 62 15.760 0.066 17.923 1.00 55.42 C ATOM 878 NE ARG A 62 14.916 -0.216 19.081 1.00 3.23 N ATOM 879 CZ ARG A 62 14.061 0.659 19.598 1.00 14.10 C ATOM 880 NH1 ARG A 62 13.935 1.865 19.061 1.00 3.05 N ATOM 881 NH2 ARG A 62 13.328 0.328 20.653 1.00 13.05 N ATOM 0 H ARG A 62 19.970 -2.745 17.526 1.00 12.22 H new ATOM 0 HA ARG A 62 19.540 -0.795 15.558 1.00 61.11 H new ATOM 0 HB2 ARG A 62 17.404 0.050 15.981 1.00 15.24 H new ATOM 0 HB3 ARG A 62 17.135 -1.682 15.970 1.00 15.24 H new ATOM 0 HG2 ARG A 62 16.780 -1.791 18.268 1.00 12.11 H new ATOM 0 HG3 ARG A 62 17.750 -0.370 18.601 1.00 12.11 H new ATOM 0 HD2 ARG A 62 16.039 1.120 17.926 1.00 55.42 H new ATOM 0 HD3 ARG A 62 15.193 -0.111 17.009 1.00 55.42 H new ATOM 0 HE ARG A 62 14.987 -1.136 19.517 1.00 3.23 H new ATOM 0 HH11 ARG A 62 14.496 2.123 18.249 1.00 3.05 H new ATOM 0 HH12 ARG A 62 13.278 2.535 19.460 1.00 3.05 H new ATOM 0 HH21 ARG A 62 13.421 -0.599 21.068 1.00 13.05 H new ATOM 0 HH22 ARG A 62 12.672 1.001 21.049 1.00 13.05 H new ATOM 895 N PRO A 63 20.065 0.996 17.311 1.00 43.32 N ATOM 896 CA PRO A 63 20.694 1.920 18.260 1.00 70.21 C ATOM 897 C PRO A 63 19.761 2.297 19.406 1.00 45.22 C ATOM 898 O PRO A 63 18.751 1.634 19.641 1.00 51.23 O ATOM 899 CB PRO A 63 21.012 3.147 17.403 1.00 52.54 C ATOM 900 CG PRO A 63 20.027 3.095 16.286 1.00 64.44 C ATOM 901 CD PRO A 63 19.788 1.635 16.013 1.00 11.24 C ATOM 0 HA PRO A 63 21.569 1.480 18.739 1.00 70.21 H new ATOM 0 HB2 PRO A 63 20.911 4.068 17.977 1.00 52.54 H new ATOM 0 HB3 PRO A 63 22.036 3.115 17.030 1.00 52.54 H new ATOM 0 HG2 PRO A 63 19.099 3.598 16.560 1.00 64.44 H new ATOM 0 HG3 PRO A 63 20.414 3.599 15.401 1.00 64.44 H new ATOM 0 HD2 PRO A 63 18.766 1.450 15.684 1.00 11.24 H new ATOM 0 HD3 PRO A 63 20.448 1.259 15.231 1.00 11.24 H new ATOM 982 N ASN A 68 16.730 9.820 13.779 1.00 32.32 N ATOM 983 CA ASN A 68 17.561 9.945 12.588 1.00 41.55 C ATOM 984 C ASN A 68 19.042 9.941 12.954 1.00 10.54 C ATOM 985 O ASN A 68 19.408 10.192 14.102 1.00 61.02 O ATOM 986 CB ASN A 68 17.215 11.230 11.832 1.00 12.10 C ATOM 987 CG ASN A 68 18.195 12.351 12.118 1.00 10.33 C ATOM 988 OD1 ASN A 68 18.366 12.676 13.395 1.00 44.23 O flip ATOM 989 ND2 ASN A 68 18.791 12.918 11.203 1.00 52.14 N flip ATOM 0 HA ASN A 68 17.362 9.088 11.945 1.00 41.55 H new ATOM 0 HB2 ASN A 68 17.203 11.026 10.761 1.00 12.10 H new ATOM 0 HB3 ASN A 68 16.210 11.551 12.107 1.00 12.10 H new ATOM 0 HD21 ASN A 68 18.629 12.635 10.236 1.00 52.14 H new ATOM 0 HD22 ASN A 68 19.447 13.671 11.411 1.00 52.14 H new ATOM 996 N ASN A 69 19.889 9.656 11.971 1.00 71.23 N ATOM 997 CA ASN A 69 21.330 9.619 12.190 1.00 43.23 C ATOM 998 C ASN A 69 21.704 8.510 13.168 1.00 70.42 C ATOM 999 O ASN A 69 22.804 8.499 13.718 1.00 4.23 O ATOM 1000 CB ASN A 69 21.821 10.968 12.720 1.00 40.14 C ATOM 1001 CG ASN A 69 23.322 11.133 12.579 1.00 10.11 C ATOM 1002 OD1 ASN A 69 24.055 11.117 13.568 1.00 33.23 O ATOM 1003 ND2 ASN A 69 23.787 11.293 11.345 1.00 15.34 N ATOM 0 H ASN A 69 19.602 9.447 11.015 1.00 71.23 H new ATOM 0 HA ASN A 69 21.812 9.414 11.234 1.00 43.23 H new ATOM 0 HB2 ASN A 69 21.318 11.772 12.182 1.00 40.14 H new ATOM 0 HB3 ASN A 69 21.545 11.065 13.770 1.00 40.14 H new ATOM 0 HD21 ASN A 69 24.788 11.409 11.188 1.00 15.34 H new ATOM 0 HD22 ASN A 69 23.143 11.300 10.554 1.00 15.34 H new ATOM 1010 N GLU A 70 20.780 7.577 13.378 1.00 52.32 N ATOM 1011 CA GLU A 70 21.013 6.463 14.290 1.00 52.53 C ATOM 1012 C GLU A 70 20.735 5.130 13.602 1.00 63.13 C ATOM 1013 O GLU A 70 19.584 4.714 13.471 1.00 10.50 O ATOM 1014 CB GLU A 70 20.133 6.601 15.534 1.00 55.04 C ATOM 1015 CG GLU A 70 20.891 6.426 16.838 1.00 21.05 C ATOM 1016 CD GLU A 70 21.701 7.653 17.212 1.00 73.43 C ATOM 1017 OE1 GLU A 70 21.219 8.778 16.965 1.00 12.24 O ATOM 1018 OE2 GLU A 70 22.815 7.487 17.750 1.00 44.45 O ATOM 0 H GLU A 70 19.864 7.571 12.929 1.00 52.32 H new ATOM 0 HA GLU A 70 22.060 6.486 14.591 1.00 52.53 H new ATOM 0 HB2 GLU A 70 19.660 7.583 15.527 1.00 55.04 H new ATOM 0 HB3 GLU A 70 19.333 5.862 15.487 1.00 55.04 H new ATOM 0 HG2 GLU A 70 20.184 6.204 17.638 1.00 21.05 H new ATOM 0 HG3 GLU A 70 21.557 5.567 16.754 1.00 21.05 H new ATOM 1025 N SER A 71 21.799 4.464 13.163 1.00 0.32 N ATOM 1026 CA SER A 71 21.671 3.180 12.485 1.00 52.04 C ATOM 1027 C SER A 71 22.721 2.194 12.985 1.00 24.35 C ATOM 1028 O SER A 71 23.611 2.556 13.757 1.00 34.40 O ATOM 1029 CB SER A 71 21.807 3.363 10.972 1.00 72.13 C ATOM 1030 OG SER A 71 21.044 4.469 10.521 1.00 33.31 O ATOM 0 H SER A 71 22.759 4.793 13.265 1.00 0.32 H new ATOM 0 HA SER A 71 20.683 2.776 12.708 1.00 52.04 H new ATOM 0 HB2 SER A 71 22.855 3.511 10.713 1.00 72.13 H new ATOM 0 HB3 SER A 71 21.477 2.458 10.462 1.00 72.13 H new ATOM 0 HG SER A 71 21.426 5.298 10.878 1.00 33.31 H new ATOM 1036 N CYS A 72 22.612 0.947 12.541 1.00 20.43 N ATOM 1037 CA CYS A 72 23.552 -0.094 12.944 1.00 14.24 C ATOM 1038 C CYS A 72 24.313 -0.636 11.739 1.00 54.11 C ATOM 1039 O CYS A 72 23.800 -0.641 10.620 1.00 41.03 O ATOM 1040 CB CYS A 72 22.813 -1.232 13.650 1.00 14.32 C ATOM 1041 SG CYS A 72 23.599 -1.785 15.182 1.00 51.44 S ATOM 0 H CYS A 72 21.882 0.632 11.902 1.00 20.43 H new ATOM 0 HA CYS A 72 24.270 0.347 13.635 1.00 14.24 H new ATOM 0 HB2 CYS A 72 21.796 -0.908 13.872 1.00 14.32 H new ATOM 0 HB3 CYS A 72 22.735 -2.079 12.968 1.00 14.32 H new ATOM 0 HG CYS A 72 22.899 -2.747 15.706 1.00 51.44 H new ATOM 1047 N SER A 73 25.539 -1.090 11.975 1.00 22.03 N ATOM 1048 CA SER A 73 26.374 -1.629 10.908 1.00 74.21 C ATOM 1049 C SER A 73 26.872 -3.027 11.261 1.00 32.34 C ATOM 1050 O SER A 73 27.706 -3.195 12.151 1.00 63.12 O ATOM 1051 CB SER A 73 27.563 -0.703 10.644 1.00 34.31 C ATOM 1052 OG SER A 73 28.097 -0.202 11.857 1.00 42.32 O ATOM 0 H SER A 73 25.977 -1.095 12.896 1.00 22.03 H new ATOM 0 HA SER A 73 25.767 -1.696 10.005 1.00 74.21 H new ATOM 0 HB2 SER A 73 28.336 -1.245 10.099 1.00 34.31 H new ATOM 0 HB3 SER A 73 27.248 0.127 10.011 1.00 34.31 H new ATOM 0 HG SER A 73 28.238 -0.943 12.483 1.00 42.32 H new ATOM 1058 N VAL A 74 26.353 -4.029 10.558 1.00 44.11 N ATOM 1059 CA VAL A 74 26.745 -5.413 10.795 1.00 21.14 C ATOM 1060 C VAL A 74 26.628 -6.243 9.522 1.00 24.42 C ATOM 1061 O VAL A 74 25.774 -5.983 8.675 1.00 45.32 O ATOM 1062 CB VAL A 74 25.884 -6.059 11.897 1.00 1.11 C ATOM 1063 CG1 VAL A 74 26.336 -7.487 12.160 1.00 63.31 C ATOM 1064 CG2 VAL A 74 25.941 -5.230 13.171 1.00 34.04 C ATOM 0 H VAL A 74 25.660 -3.908 9.820 1.00 44.11 H new ATOM 0 HA VAL A 74 27.785 -5.396 11.120 1.00 21.14 H new ATOM 0 HB VAL A 74 24.849 -6.088 11.555 1.00 1.11 H new ATOM 0 HG11 VAL A 74 25.716 -7.927 12.941 1.00 63.31 H new ATOM 0 HG12 VAL A 74 26.239 -8.074 11.246 1.00 63.31 H new ATOM 0 HG13 VAL A 74 27.378 -7.486 12.481 1.00 63.31 H new ATOM 0 HG21 VAL A 74 25.327 -5.701 13.939 1.00 34.04 H new ATOM 0 HG22 VAL A 74 26.972 -5.167 13.518 1.00 34.04 H new ATOM 0 HG23 VAL A 74 25.564 -4.227 12.970 1.00 34.04 H new ATOM 1074 N SER A 75 27.493 -7.245 9.394 1.00 34.33 N ATOM 1075 CA SER A 75 27.489 -8.113 8.222 1.00 11.04 C ATOM 1076 C SER A 75 26.415 -9.189 8.347 1.00 72.33 C ATOM 1077 O SER A 75 26.590 -10.177 9.060 1.00 53.22 O ATOM 1078 CB SER A 75 28.861 -8.765 8.040 1.00 40.43 C ATOM 1079 OG SER A 75 29.555 -8.846 9.272 1.00 2.45 O ATOM 0 H SER A 75 28.205 -7.475 10.087 1.00 34.33 H new ATOM 0 HA SER A 75 27.266 -7.501 7.348 1.00 11.04 H new ATOM 0 HB2 SER A 75 28.740 -9.764 7.621 1.00 40.43 H new ATOM 0 HB3 SER A 75 29.449 -8.189 7.325 1.00 40.43 H new ATOM 0 HG SER A 75 30.428 -9.268 9.129 1.00 2.45 H new ATOM 1085 N ALA A 76 25.303 -8.990 7.647 1.00 54.10 N ATOM 1086 CA ALA A 76 24.200 -9.943 7.677 1.00 63.15 C ATOM 1087 C ALA A 76 24.433 -11.082 6.690 1.00 21.51 C ATOM 1088 O ALA A 76 25.100 -10.907 5.671 1.00 51.02 O ATOM 1089 CB ALA A 76 22.886 -9.240 7.373 1.00 51.45 C ATOM 0 H ALA A 76 25.142 -8.177 7.052 1.00 54.10 H new ATOM 0 HA ALA A 76 24.148 -10.369 8.679 1.00 63.15 H new ATOM 0 HB1 ALA A 76 22.072 -9.964 7.399 1.00 51.45 H new ATOM 0 HB2 ALA A 76 22.707 -8.465 8.119 1.00 51.45 H new ATOM 0 HB3 ALA A 76 22.937 -8.786 6.383 1.00 51.45 H new ATOM 1095 N ALA A 77 23.880 -12.250 7.001 1.00 71.23 N ATOM 1096 CA ALA A 77 24.027 -13.418 6.141 1.00 55.14 C ATOM 1097 C ALA A 77 22.751 -13.679 5.347 1.00 40.54 C ATOM 1098 O ALA A 77 21.638 -13.446 5.819 1.00 3.14 O ATOM 1099 CB ALA A 77 24.394 -14.640 6.968 1.00 23.35 C ATOM 0 H ALA A 77 23.326 -12.412 7.842 1.00 71.23 H new ATOM 0 HA ALA A 77 24.831 -13.217 5.433 1.00 55.14 H new ATOM 0 HB1 ALA A 77 24.500 -15.504 6.313 1.00 23.35 H new ATOM 0 HB2 ALA A 77 25.336 -14.459 7.486 1.00 23.35 H new ATOM 0 HB3 ALA A 77 23.609 -14.834 7.699 1.00 23.35 H new ATOM 1105 N PRO A 78 22.913 -14.172 4.110 1.00 23.52 N ATOM 1106 CA PRO A 78 21.785 -14.475 3.224 1.00 22.13 C ATOM 1107 C PRO A 78 20.977 -15.676 3.704 1.00 25.20 C ATOM 1108 O PRO A 78 21.446 -16.465 4.524 1.00 44.51 O ATOM 1109 CB PRO A 78 22.459 -14.784 1.885 1.00 31.20 C ATOM 1110 CG PRO A 78 23.829 -15.243 2.247 1.00 22.13 C ATOM 1111 CD PRO A 78 24.210 -14.474 3.482 1.00 65.11 C ATOM 0 HA PRO A 78 21.071 -13.653 3.177 1.00 22.13 H new ATOM 0 HB2 PRO A 78 21.916 -15.554 1.337 1.00 31.20 H new ATOM 0 HB3 PRO A 78 22.493 -13.902 1.246 1.00 31.20 H new ATOM 0 HG2 PRO A 78 23.844 -16.316 2.436 1.00 22.13 H new ATOM 0 HG3 PRO A 78 24.532 -15.052 1.436 1.00 22.13 H new ATOM 0 HD2 PRO A 78 24.848 -15.063 4.141 1.00 65.11 H new ATOM 0 HD3 PRO A 78 24.759 -13.565 3.236 1.00 65.11 H new ATOM 1119 N GLY A 79 19.760 -15.810 3.187 1.00 52.24 N ATOM 1120 CA GLY A 79 18.907 -16.918 3.574 1.00 13.11 C ATOM 1121 C GLY A 79 17.840 -16.508 4.570 1.00 51.31 C ATOM 1122 O GLY A 79 16.843 -17.208 4.748 1.00 72.22 O ATOM 0 H GLY A 79 19.349 -15.171 2.507 1.00 52.24 H new ATOM 0 HA2 GLY A 79 18.430 -17.333 2.686 1.00 13.11 H new ATOM 0 HA3 GLY A 79 19.519 -17.710 4.007 1.00 13.11 H new ATOM 1126 N THR A 80 18.049 -15.369 5.224 1.00 61.14 N ATOM 1127 CA THR A 80 17.099 -14.868 6.209 1.00 43.01 C ATOM 1128 C THR A 80 16.507 -13.533 5.772 1.00 5.35 C ATOM 1129 O THR A 80 17.236 -12.586 5.475 1.00 4.52 O ATOM 1130 CB THR A 80 17.760 -14.697 7.590 1.00 41.12 C ATOM 1131 OG1 THR A 80 18.393 -15.919 7.985 1.00 62.13 O ATOM 1132 CG2 THR A 80 16.732 -14.292 8.635 1.00 10.42 C ATOM 0 H THR A 80 18.868 -14.776 5.089 1.00 61.14 H new ATOM 0 HA THR A 80 16.302 -15.608 6.285 1.00 43.01 H new ATOM 0 HB THR A 80 18.509 -13.908 7.515 1.00 41.12 H new ATOM 0 HG1 THR A 80 18.812 -15.801 8.863 1.00 62.13 H new ATOM 0 HG21 THR A 80 17.222 -14.177 9.602 1.00 10.42 H new ATOM 0 HG22 THR A 80 16.273 -13.347 8.346 1.00 10.42 H new ATOM 0 HG23 THR A 80 15.963 -15.062 8.707 1.00 10.42 H new ATOM 1140 N THR A 81 15.180 -13.462 5.736 1.00 24.24 N ATOM 1141 CA THR A 81 14.490 -12.243 5.336 1.00 44.42 C ATOM 1142 C THR A 81 14.619 -11.162 6.403 1.00 22.13 C ATOM 1143 O THR A 81 14.497 -11.438 7.597 1.00 12.51 O ATOM 1144 CB THR A 81 12.997 -12.505 5.065 1.00 71.21 C ATOM 1145 OG1 THR A 81 12.849 -13.615 4.173 1.00 73.52 O ATOM 1146 CG2 THR A 81 12.331 -11.275 4.467 1.00 70.22 C ATOM 0 H THR A 81 14.562 -14.236 5.979 1.00 24.24 H new ATOM 0 HA THR A 81 14.964 -11.900 4.416 1.00 44.42 H new ATOM 0 HB THR A 81 12.513 -12.735 6.014 1.00 71.21 H new ATOM 0 HG1 THR A 81 11.897 -13.776 4.007 1.00 73.52 H new ATOM 0 HG21 THR A 81 11.277 -11.484 4.284 1.00 70.22 H new ATOM 0 HG22 THR A 81 12.420 -10.439 5.161 1.00 70.22 H new ATOM 0 HG23 THR A 81 12.818 -11.019 3.526 1.00 70.22 H new ATOM 1154 N TYR A 82 14.866 -9.932 5.967 1.00 71.25 N ATOM 1155 CA TYR A 82 15.013 -8.810 6.886 1.00 50.24 C ATOM 1156 C TYR A 82 13.859 -7.824 6.731 1.00 34.42 C ATOM 1157 O TYR A 82 13.259 -7.716 5.661 1.00 15.54 O ATOM 1158 CB TYR A 82 16.344 -8.096 6.643 1.00 13.20 C ATOM 1159 CG TYR A 82 17.551 -8.910 7.050 1.00 11.04 C ATOM 1160 CD1 TYR A 82 17.849 -9.125 8.390 1.00 34.03 C ATOM 1161 CD2 TYR A 82 18.393 -9.465 6.095 1.00 63.21 C ATOM 1162 CE1 TYR A 82 18.951 -9.868 8.767 1.00 51.42 C ATOM 1163 CE2 TYR A 82 19.497 -10.210 6.462 1.00 21.43 C ATOM 1164 CZ TYR A 82 19.772 -10.408 7.799 1.00 31.33 C ATOM 1165 OH TYR A 82 20.870 -11.150 8.170 1.00 1.23 O ATOM 0 H TYR A 82 14.969 -9.687 4.982 1.00 71.25 H new ATOM 0 HA TYR A 82 14.998 -9.202 7.903 1.00 50.24 H new ATOM 0 HB2 TYR A 82 16.425 -7.846 5.585 1.00 13.20 H new ATOM 0 HB3 TYR A 82 16.348 -7.155 7.194 1.00 13.20 H new ATOM 0 HD1 TYR A 82 17.208 -8.704 9.150 1.00 34.03 H new ATOM 0 HD2 TYR A 82 18.181 -9.311 5.047 1.00 63.21 H new ATOM 0 HE1 TYR A 82 19.168 -10.025 9.813 1.00 51.42 H new ATOM 0 HE2 TYR A 82 20.141 -10.635 5.706 1.00 21.43 H new ATOM 0 HH TYR A 82 21.319 -10.715 8.925 1.00 1.23 H new ATOM 1175 N HIS A 83 13.553 -7.107 7.808 1.00 23.20 N ATOM 1176 CA HIS A 83 12.472 -6.129 7.793 1.00 13.34 C ATOM 1177 C HIS A 83 12.934 -4.799 8.381 1.00 43.32 C ATOM 1178 O HIS A 83 13.915 -4.744 9.123 1.00 42.44 O ATOM 1179 CB HIS A 83 11.269 -6.655 8.577 1.00 0.03 C ATOM 1180 CG HIS A 83 10.593 -7.821 7.925 1.00 31.41 C ATOM 1181 ND1 HIS A 83 9.254 -7.828 7.596 1.00 13.34 N ATOM 1182 CD2 HIS A 83 11.079 -9.024 7.539 1.00 62.11 C ATOM 1183 CE1 HIS A 83 8.945 -8.984 7.038 1.00 62.41 C ATOM 1184 NE2 HIS A 83 10.036 -9.728 6.991 1.00 75.33 N ATOM 0 H HIS A 83 14.039 -7.185 8.702 1.00 23.20 H new ATOM 0 HA HIS A 83 12.178 -5.966 6.756 1.00 13.34 H new ATOM 0 HB2 HIS A 83 11.596 -6.946 9.575 1.00 0.03 H new ATOM 0 HB3 HIS A 83 10.546 -5.849 8.701 1.00 0.03 H new ATOM 0 HD2 HIS A 83 12.098 -9.366 7.643 1.00 62.11 H new ATOM 0 HE1 HIS A 83 7.967 -9.272 6.681 1.00 62.41 H new ATOM 0 HE2 HIS A 83 10.094 -10.672 6.609 1.00 75.33 H new ATOM 1192 N VAL A 84 12.222 -3.728 8.043 1.00 32.42 N ATOM 1193 CA VAL A 84 12.559 -2.399 8.537 1.00 10.31 C ATOM 1194 C VAL A 84 11.324 -1.680 9.068 1.00 33.34 C ATOM 1195 O VAL A 84 10.323 -1.544 8.366 1.00 53.52 O ATOM 1196 CB VAL A 84 13.206 -1.538 7.436 1.00 72.14 C ATOM 1197 CG1 VAL A 84 13.718 -0.227 8.013 1.00 34.43 C ATOM 1198 CG2 VAL A 84 14.329 -2.304 6.752 1.00 12.25 C ATOM 0 H VAL A 84 11.408 -3.756 7.429 1.00 32.42 H new ATOM 0 HA VAL A 84 13.274 -2.536 9.349 1.00 10.31 H new ATOM 0 HB VAL A 84 12.447 -1.306 6.689 1.00 72.14 H new ATOM 0 HG11 VAL A 84 14.172 0.367 7.220 1.00 34.43 H new ATOM 0 HG12 VAL A 84 12.888 0.327 8.451 1.00 34.43 H new ATOM 0 HG13 VAL A 84 14.462 -0.434 8.782 1.00 34.43 H new ATOM 0 HG21 VAL A 84 14.775 -1.681 5.977 1.00 12.25 H new ATOM 0 HG22 VAL A 84 15.089 -2.569 7.487 1.00 12.25 H new ATOM 0 HG23 VAL A 84 13.928 -3.212 6.302 1.00 12.25 H new ATOM 1208 N MET A 85 11.402 -1.223 10.314 1.00 40.33 N ATOM 1209 CA MET A 85 10.290 -0.516 10.939 1.00 21.11 C ATOM 1210 C MET A 85 10.698 0.901 11.330 1.00 35.11 C ATOM 1211 O MET A 85 11.668 1.098 12.062 1.00 62.33 O ATOM 1212 CB MET A 85 9.803 -1.278 12.173 1.00 60.10 C ATOM 1213 CG MET A 85 8.366 -0.963 12.554 1.00 55.04 C ATOM 1214 SD MET A 85 8.203 -0.420 14.265 1.00 4.42 S ATOM 1215 CE MET A 85 7.194 1.046 14.061 1.00 35.51 C ATOM 0 H MET A 85 12.223 -1.330 10.910 1.00 40.33 H new ATOM 0 HA MET A 85 9.478 -0.454 10.215 1.00 21.11 H new ATOM 0 HB2 MET A 85 9.895 -2.348 11.989 1.00 60.10 H new ATOM 0 HB3 MET A 85 10.453 -1.043 13.015 1.00 60.10 H new ATOM 0 HG2 MET A 85 7.981 -0.187 11.893 1.00 55.04 H new ATOM 0 HG3 MET A 85 7.751 -1.849 12.398 1.00 55.04 H new ATOM 0 HE1 MET A 85 6.632 1.231 14.977 1.00 35.51 H new ATOM 0 HE2 MET A 85 7.835 1.902 13.849 1.00 35.51 H new ATOM 0 HE3 MET A 85 6.500 0.898 13.233 1.00 35.51 H new ATOM 1225 N ILE A 86 9.951 1.884 10.838 1.00 34.52 N ATOM 1226 CA ILE A 86 10.235 3.282 11.138 1.00 74.54 C ATOM 1227 C ILE A 86 9.160 3.880 12.039 1.00 23.24 C ATOM 1228 O ILE A 86 8.009 4.036 11.633 1.00 74.20 O ATOM 1229 CB ILE A 86 10.337 4.123 9.852 1.00 54.12 C ATOM 1230 CG1 ILE A 86 11.258 3.439 8.840 1.00 24.12 C ATOM 1231 CG2 ILE A 86 10.840 5.522 10.173 1.00 12.42 C ATOM 1232 CD1 ILE A 86 12.693 3.331 9.307 1.00 43.44 C ATOM 0 H ILE A 86 9.145 1.738 10.230 1.00 34.52 H new ATOM 0 HA ILE A 86 11.194 3.306 11.656 1.00 74.54 H new ATOM 0 HB ILE A 86 9.344 4.207 9.411 1.00 54.12 H new ATOM 0 HG12 ILE A 86 10.876 2.440 8.631 1.00 24.12 H new ATOM 0 HG13 ILE A 86 11.230 3.994 7.902 1.00 24.12 H new ATOM 0 HG21 ILE A 86 10.907 6.104 9.254 1.00 12.42 H new ATOM 0 HG22 ILE A 86 10.149 6.008 10.861 1.00 12.42 H new ATOM 0 HG23 ILE A 86 11.826 5.457 10.634 1.00 12.42 H new ATOM 0 HD11 ILE A 86 13.289 2.836 8.540 1.00 43.44 H new ATOM 0 HD12 ILE A 86 13.092 4.329 9.489 1.00 43.44 H new ATOM 0 HD13 ILE A 86 12.733 2.750 10.229 1.00 43.44 H new ATOM 1244 N LYS A 87 9.545 4.215 13.266 1.00 10.12 N ATOM 1245 CA LYS A 87 8.617 4.800 14.227 1.00 73.24 C ATOM 1246 C LYS A 87 8.788 6.314 14.297 1.00 62.14 C ATOM 1247 O LYS A 87 9.907 6.818 14.386 1.00 13.24 O ATOM 1248 CB LYS A 87 8.831 4.187 15.612 1.00 3.15 C ATOM 1249 CG LYS A 87 7.540 3.923 16.367 1.00 30.41 C ATOM 1250 CD LYS A 87 6.926 5.210 16.890 1.00 1.34 C ATOM 1251 CE LYS A 87 5.484 5.366 16.434 1.00 73.04 C ATOM 1252 NZ LYS A 87 4.754 6.385 17.238 1.00 20.21 N ATOM 0 H LYS A 87 10.494 4.091 13.619 1.00 10.12 H new ATOM 0 HA LYS A 87 7.603 4.582 13.893 1.00 73.24 H new ATOM 0 HB2 LYS A 87 9.377 3.250 15.505 1.00 3.15 H new ATOM 0 HB3 LYS A 87 9.457 4.855 16.203 1.00 3.15 H new ATOM 0 HG2 LYS A 87 6.830 3.421 15.710 1.00 30.41 H new ATOM 0 HG3 LYS A 87 7.736 3.248 17.200 1.00 30.41 H new ATOM 0 HD2 LYS A 87 6.967 5.217 17.979 1.00 1.34 H new ATOM 0 HD3 LYS A 87 7.512 6.061 16.543 1.00 1.34 H new ATOM 0 HE2 LYS A 87 5.465 5.652 15.382 1.00 73.04 H new ATOM 0 HE3 LYS A 87 4.973 4.407 16.513 1.00 73.04 H new ATOM 0 HZ1 LYS A 87 3.796 6.510 16.853 1.00 20.21 H new ATOM 0 HZ2 LYS A 87 4.691 6.067 18.226 1.00 20.21 H new ATOM 0 HZ3 LYS A 87 5.264 7.290 17.197 1.00 20.21 H new ATOM 1266 N GLY A 88 7.671 7.034 14.256 1.00 2.21 N ATOM 1267 CA GLY A 88 7.720 8.483 14.317 1.00 3.34 C ATOM 1268 C GLY A 88 7.335 9.019 15.682 1.00 5.21 C ATOM 1269 O GLY A 88 6.695 8.325 16.472 1.00 60.44 O ATOM 0 H GLY A 88 6.733 6.640 14.182 1.00 2.21 H new ATOM 0 HA2 GLY A 88 8.726 8.820 14.068 1.00 3.34 H new ATOM 0 HA3 GLY A 88 7.049 8.898 13.565 1.00 3.34 H new ATOM 1273 N TYR A 89 7.728 10.257 15.962 1.00 53.13 N ATOM 1274 CA TYR A 89 7.424 10.884 17.242 1.00 15.43 C ATOM 1275 C TYR A 89 6.542 12.115 17.051 1.00 61.24 C ATOM 1276 O TYR A 89 5.746 12.464 17.922 1.00 72.20 O ATOM 1277 CB TYR A 89 8.715 11.276 17.962 1.00 63.21 C ATOM 1278 CG TYR A 89 8.659 11.074 19.459 1.00 23.04 C ATOM 1279 CD1 TYR A 89 8.929 9.833 20.023 1.00 34.22 C ATOM 1280 CD2 TYR A 89 8.336 12.124 20.310 1.00 22.32 C ATOM 1281 CE1 TYR A 89 8.878 9.643 21.391 1.00 50.43 C ATOM 1282 CE2 TYR A 89 8.285 11.944 21.679 1.00 73.21 C ATOM 1283 CZ TYR A 89 8.556 10.702 22.214 1.00 21.03 C ATOM 1284 OH TYR A 89 8.504 10.518 23.577 1.00 4.41 O ATOM 0 H TYR A 89 8.258 10.846 15.319 1.00 53.13 H new ATOM 0 HA TYR A 89 6.881 10.161 17.851 1.00 15.43 H new ATOM 0 HB2 TYR A 89 9.540 10.691 17.556 1.00 63.21 H new ATOM 0 HB3 TYR A 89 8.934 12.323 17.753 1.00 63.21 H new ATOM 0 HD1 TYR A 89 9.183 9.002 19.381 1.00 34.22 H new ATOM 0 HD2 TYR A 89 8.121 13.097 19.894 1.00 22.32 H new ATOM 0 HE1 TYR A 89 9.089 8.671 21.813 1.00 50.43 H new ATOM 0 HE2 TYR A 89 8.034 12.771 22.326 1.00 73.21 H new ATOM 0 HH TYR A 89 8.264 11.363 24.012 1.00 4.41 H new ATOM 1294 N SER A 90 6.691 12.768 15.902 1.00 33.15 N ATOM 1295 CA SER A 90 5.911 13.962 15.596 1.00 63.54 C ATOM 1296 C SER A 90 6.057 14.342 14.125 1.00 13.24 C ATOM 1297 O SER A 90 7.128 14.196 13.538 1.00 12.33 O ATOM 1298 CB SER A 90 6.354 15.127 16.482 1.00 11.21 C ATOM 1299 OG SER A 90 7.679 15.526 16.176 1.00 53.52 O ATOM 0 H SER A 90 7.344 12.491 15.169 1.00 33.15 H new ATOM 0 HA SER A 90 4.862 13.743 15.795 1.00 63.54 H new ATOM 0 HB2 SER A 90 5.676 15.970 16.345 1.00 11.21 H new ATOM 0 HB3 SER A 90 6.292 14.835 17.530 1.00 11.21 H new ATOM 0 HG SER A 90 8.269 14.744 16.197 1.00 53.52 H new ATOM 1305 N ASN A 91 4.970 14.831 13.537 1.00 72.00 N ATOM 1306 CA ASN A 91 4.975 15.233 12.135 1.00 73.50 C ATOM 1307 C ASN A 91 6.338 15.788 11.733 1.00 73.10 C ATOM 1308 O ASN A 91 6.722 16.881 12.150 1.00 20.31 O ATOM 1309 CB ASN A 91 3.889 16.280 11.879 1.00 61.10 C ATOM 1310 CG ASN A 91 3.872 16.755 10.439 1.00 70.31 C ATOM 1311 OD1 ASN A 91 3.882 15.949 9.508 1.00 53.31 O ATOM 1312 ND2 ASN A 91 3.847 18.069 10.250 1.00 74.14 N ATOM 0 H ASN A 91 4.075 14.958 14.009 1.00 72.00 H new ATOM 0 HA ASN A 91 4.769 14.351 11.529 1.00 73.50 H new ATOM 0 HB2 ASN A 91 2.916 15.859 12.131 1.00 61.10 H new ATOM 0 HB3 ASN A 91 4.048 17.133 12.538 1.00 61.10 H new ATOM 0 HD21 ASN A 91 3.835 18.448 9.303 1.00 74.14 H new ATOM 0 HD22 ASN A 91 3.840 18.700 11.052 1.00 74.14 H new ATOM 1319 N TYR A 92 7.063 15.028 10.920 1.00 4.22 N ATOM 1320 CA TYR A 92 8.384 15.443 10.463 1.00 63.11 C ATOM 1321 C TYR A 92 8.867 14.557 9.318 1.00 4.52 C ATOM 1322 O TYR A 92 9.152 13.376 9.511 1.00 65.55 O ATOM 1323 CB TYR A 92 9.386 15.394 11.618 1.00 33.31 C ATOM 1324 CG TYR A 92 10.227 16.644 11.744 1.00 60.22 C ATOM 1325 CD1 TYR A 92 10.971 17.115 10.669 1.00 61.21 C ATOM 1326 CD2 TYR A 92 10.279 17.353 12.937 1.00 12.22 C ATOM 1327 CE1 TYR A 92 11.742 18.256 10.779 1.00 12.01 C ATOM 1328 CE2 TYR A 92 11.046 18.496 13.056 1.00 15.10 C ATOM 1329 CZ TYR A 92 11.775 18.943 11.974 1.00 3.45 C ATOM 1330 OH TYR A 92 12.541 20.081 12.089 1.00 25.33 O ATOM 0 H TYR A 92 6.759 14.122 10.564 1.00 4.22 H new ATOM 0 HA TYR A 92 8.309 16.468 10.100 1.00 63.11 H new ATOM 0 HB2 TYR A 92 8.845 15.235 12.551 1.00 33.31 H new ATOM 0 HB3 TYR A 92 10.044 14.536 11.481 1.00 33.31 H new ATOM 0 HD1 TYR A 92 10.946 16.580 9.731 1.00 61.21 H new ATOM 0 HD2 TYR A 92 9.710 17.005 13.786 1.00 12.22 H new ATOM 0 HE1 TYR A 92 12.315 18.608 9.934 1.00 12.01 H new ATOM 0 HE2 TYR A 92 11.074 19.036 13.991 1.00 15.10 H new ATOM 0 HH TYR A 92 12.453 20.445 12.995 1.00 25.33 H new ATOM 1340 N SER A 93 8.957 15.139 8.126 1.00 23.04 N ATOM 1341 CA SER A 93 9.403 14.403 6.949 1.00 53.53 C ATOM 1342 C SER A 93 10.636 15.058 6.333 1.00 14.43 C ATOM 1343 O SER A 93 10.911 16.234 6.570 1.00 25.31 O ATOM 1344 CB SER A 93 8.280 14.330 5.912 1.00 34.34 C ATOM 1345 OG SER A 93 7.689 15.602 5.710 1.00 74.45 O ATOM 0 H SER A 93 8.727 16.117 7.950 1.00 23.04 H new ATOM 0 HA SER A 93 9.667 13.393 7.261 1.00 53.53 H new ATOM 0 HB2 SER A 93 8.676 13.956 4.968 1.00 34.34 H new ATOM 0 HB3 SER A 93 7.521 13.621 6.243 1.00 34.34 H new ATOM 0 HG SER A 93 6.976 15.529 5.042 1.00 74.45 H new ATOM 1351 N GLY A 94 11.375 14.287 5.541 1.00 14.51 N ATOM 1352 CA GLY A 94 12.570 14.809 4.904 1.00 74.45 C ATOM 1353 C GLY A 94 13.817 14.042 5.295 1.00 21.15 C ATOM 1354 O GLY A 94 14.929 14.560 5.198 1.00 4.35 O ATOM 0 H GLY A 94 11.168 13.311 5.329 1.00 14.51 H new ATOM 0 HA2 GLY A 94 12.448 14.770 3.822 1.00 74.45 H new ATOM 0 HA3 GLY A 94 12.693 15.858 5.173 1.00 74.45 H new ATOM 1358 N VAL A 95 13.633 12.803 5.741 1.00 10.24 N ATOM 1359 CA VAL A 95 14.753 11.964 6.150 1.00 34.53 C ATOM 1360 C VAL A 95 14.925 10.779 5.206 1.00 42.54 C ATOM 1361 O VAL A 95 13.950 10.247 4.674 1.00 22.22 O ATOM 1362 CB VAL A 95 14.565 11.438 7.586 1.00 70.22 C ATOM 1363 CG1 VAL A 95 15.902 11.024 8.182 1.00 12.42 C ATOM 1364 CG2 VAL A 95 13.887 12.488 8.453 1.00 71.21 C ATOM 0 H VAL A 95 12.719 12.358 5.828 1.00 10.24 H new ATOM 0 HA VAL A 95 15.646 12.588 6.113 1.00 34.53 H new ATOM 0 HB VAL A 95 13.922 10.558 7.552 1.00 70.22 H new ATOM 0 HG11 VAL A 95 15.750 10.655 9.196 1.00 12.42 H new ATOM 0 HG12 VAL A 95 16.344 10.236 7.572 1.00 12.42 H new ATOM 0 HG13 VAL A 95 16.572 11.884 8.205 1.00 12.42 H new ATOM 0 HG21 VAL A 95 13.762 12.100 9.464 1.00 71.21 H new ATOM 0 HG22 VAL A 95 14.502 13.387 8.483 1.00 71.21 H new ATOM 0 HG23 VAL A 95 12.910 12.730 8.034 1.00 71.21 H new ATOM 1374 N THR A 96 16.173 10.370 5.000 1.00 4.41 N ATOM 1375 CA THR A 96 16.475 9.249 4.119 1.00 50.40 C ATOM 1376 C THR A 96 16.750 7.981 4.918 1.00 71.51 C ATOM 1377 O THR A 96 17.513 7.996 5.885 1.00 50.43 O ATOM 1378 CB THR A 96 17.690 9.551 3.222 1.00 43.01 C ATOM 1379 OG1 THR A 96 17.880 10.966 3.114 1.00 50.23 O ATOM 1380 CG2 THR A 96 17.502 8.952 1.836 1.00 0.03 C ATOM 0 H THR A 96 16.991 10.799 5.432 1.00 4.41 H new ATOM 0 HA THR A 96 15.598 9.096 3.490 1.00 50.40 H new ATOM 0 HB THR A 96 18.571 9.101 3.679 1.00 43.01 H new ATOM 0 HG1 THR A 96 18.261 11.310 3.949 1.00 50.23 H new ATOM 0 HG21 THR A 96 18.373 9.178 1.221 1.00 0.03 H new ATOM 0 HG22 THR A 96 17.388 7.871 1.919 1.00 0.03 H new ATOM 0 HG23 THR A 96 16.611 9.377 1.374 1.00 0.03 H new ATOM 1388 N LEU A 97 16.125 6.882 4.508 1.00 12.24 N ATOM 1389 CA LEU A 97 16.303 5.603 5.186 1.00 30.22 C ATOM 1390 C LEU A 97 16.838 4.547 4.224 1.00 21.13 C ATOM 1391 O LEU A 97 16.548 4.577 3.028 1.00 21.21 O ATOM 1392 CB LEU A 97 14.978 5.134 5.790 1.00 11.31 C ATOM 1393 CG LEU A 97 14.862 3.636 6.074 1.00 1.30 C ATOM 1394 CD1 LEU A 97 15.632 3.271 7.333 1.00 24.53 C ATOM 1395 CD2 LEU A 97 13.402 3.229 6.203 1.00 55.21 C ATOM 0 H LEU A 97 15.491 6.851 3.710 1.00 12.24 H new ATOM 0 HA LEU A 97 17.030 5.742 5.986 1.00 30.22 H new ATOM 0 HB2 LEU A 97 14.816 5.674 6.723 1.00 11.31 H new ATOM 0 HB3 LEU A 97 14.172 5.418 5.113 1.00 11.31 H new ATOM 0 HG LEU A 97 15.297 3.092 5.236 1.00 1.30 H new ATOM 0 HD11 LEU A 97 15.538 2.201 7.520 1.00 24.53 H new ATOM 0 HD12 LEU A 97 16.684 3.526 7.203 1.00 24.53 H new ATOM 0 HD13 LEU A 97 15.227 3.824 8.180 1.00 24.53 H new ATOM 0 HD21 LEU A 97 13.339 2.160 6.405 1.00 55.21 H new ATOM 0 HD22 LEU A 97 12.941 3.781 7.022 1.00 55.21 H new ATOM 0 HD23 LEU A 97 12.878 3.454 5.274 1.00 55.21 H new ATOM 1407 N LYS A 98 17.619 3.612 4.755 1.00 45.31 N ATOM 1408 CA LYS A 98 18.193 2.544 3.945 1.00 21.25 C ATOM 1409 C LYS A 98 18.503 1.320 4.801 1.00 22.31 C ATOM 1410 O LYS A 98 18.443 1.377 6.030 1.00 12.11 O ATOM 1411 CB LYS A 98 19.467 3.030 3.251 1.00 62.10 C ATOM 1412 CG LYS A 98 19.894 2.158 2.083 1.00 55.04 C ATOM 1413 CD LYS A 98 20.373 2.995 0.908 1.00 32.33 C ATOM 1414 CE LYS A 98 21.412 4.018 1.340 1.00 20.12 C ATOM 1415 NZ LYS A 98 22.545 4.099 0.377 1.00 75.14 N ATOM 0 H LYS A 98 17.869 3.572 5.743 1.00 45.31 H new ATOM 0 HA LYS A 98 17.461 2.262 3.189 1.00 21.25 H new ATOM 0 HB2 LYS A 98 19.311 4.048 2.895 1.00 62.10 H new ATOM 0 HB3 LYS A 98 20.276 3.068 3.980 1.00 62.10 H new ATOM 0 HG2 LYS A 98 20.691 1.486 2.402 1.00 55.04 H new ATOM 0 HG3 LYS A 98 19.058 1.534 1.769 1.00 55.04 H new ATOM 0 HD2 LYS A 98 20.798 2.343 0.145 1.00 32.33 H new ATOM 0 HD3 LYS A 98 19.524 3.506 0.454 1.00 32.33 H new ATOM 0 HE2 LYS A 98 20.942 4.997 1.431 1.00 20.12 H new ATOM 0 HE3 LYS A 98 21.792 3.755 2.327 1.00 20.12 H new ATOM 0 HZ1 LYS A 98 23.231 4.807 0.707 1.00 75.14 H new ATOM 0 HZ2 LYS A 98 23.010 3.171 0.309 1.00 75.14 H new ATOM 0 HZ3 LYS A 98 22.186 4.375 -0.559 1.00 75.14 H new ATOM 1429 N LEU A 99 18.837 0.214 4.145 1.00 74.03 N ATOM 1430 CA LEU A 99 19.158 -1.024 4.846 1.00 63.33 C ATOM 1431 C LEU A 99 20.652 -1.109 5.144 1.00 73.11 C ATOM 1432 O LEU A 99 21.481 -0.724 4.320 1.00 0.03 O ATOM 1433 CB LEU A 99 18.723 -2.232 4.014 1.00 63.12 C ATOM 1434 CG LEU A 99 19.757 -3.349 3.860 1.00 13.34 C ATOM 1435 CD1 LEU A 99 19.070 -4.676 3.577 1.00 5.11 C ATOM 1436 CD2 LEU A 99 20.746 -3.011 2.755 1.00 64.21 C ATOM 0 H LEU A 99 18.893 0.149 3.129 1.00 74.03 H new ATOM 0 HA LEU A 99 18.616 -1.028 5.792 1.00 63.33 H new ATOM 0 HB2 LEU A 99 17.826 -2.655 4.466 1.00 63.12 H new ATOM 0 HB3 LEU A 99 18.445 -1.882 3.020 1.00 63.12 H new ATOM 0 HG LEU A 99 20.307 -3.441 4.796 1.00 13.34 H new ATOM 0 HD11 LEU A 99 19.821 -5.459 3.470 1.00 5.11 H new ATOM 0 HD12 LEU A 99 18.402 -4.923 4.402 1.00 5.11 H new ATOM 0 HD13 LEU A 99 18.494 -4.598 2.655 1.00 5.11 H new ATOM 0 HD21 LEU A 99 21.474 -3.816 2.659 1.00 64.21 H new ATOM 0 HD22 LEU A 99 20.212 -2.891 1.813 1.00 64.21 H new ATOM 0 HD23 LEU A 99 21.262 -2.083 3.000 1.00 64.21 H new ATOM 1448 N GLN A 100 20.986 -1.618 6.326 1.00 40.55 N ATOM 1449 CA GLN A 100 22.380 -1.754 6.731 1.00 30.11 C ATOM 1450 C GLN A 100 22.844 -3.202 6.606 1.00 51.41 C ATOM 1451 O GLN A 100 22.438 -4.064 7.386 1.00 40.34 O ATOM 1452 CB GLN A 100 22.564 -1.270 8.170 1.00 2.32 C ATOM 1453 CG GLN A 100 21.527 -1.821 9.135 1.00 21.13 C ATOM 1454 CD GLN A 100 20.250 -1.004 9.149 1.00 70.53 C ATOM 1455 OE1 GLN A 100 20.253 0.168 9.526 1.00 32.54 O ATOM 1456 NE2 GLN A 100 19.149 -1.620 8.735 1.00 33.50 N ATOM 0 H GLN A 100 20.311 -1.942 7.019 1.00 40.55 H new ATOM 0 HA GLN A 100 22.987 -1.138 6.067 1.00 30.11 H new ATOM 0 HB2 GLN A 100 23.558 -1.555 8.516 1.00 2.32 H new ATOM 0 HB3 GLN A 100 22.521 -0.181 8.186 1.00 2.32 H new ATOM 0 HG2 GLN A 100 21.293 -2.850 8.862 1.00 21.13 H new ATOM 0 HG3 GLN A 100 21.949 -1.846 10.140 1.00 21.13 H new ATOM 0 HE21 GLN A 100 19.192 -2.593 8.431 1.00 33.50 H new ATOM 0 HE22 GLN A 100 18.260 -1.120 8.721 1.00 33.50 H new ATOM 1465 N TYR A 101 23.696 -3.461 5.620 1.00 32.23 N ATOM 1466 CA TYR A 101 24.213 -4.805 5.391 1.00 31.13 C ATOM 1467 C TYR A 101 25.662 -4.918 5.855 1.00 41.44 C ATOM 1468 O TYR A 101 26.189 -6.017 6.015 1.00 31.13 O ATOM 1469 CB TYR A 101 24.110 -5.168 3.909 1.00 61.01 C ATOM 1470 CG TYR A 101 24.168 -6.656 3.644 1.00 10.52 C ATOM 1471 CD1 TYR A 101 23.512 -7.555 4.476 1.00 54.14 C ATOM 1472 CD2 TYR A 101 24.880 -7.162 2.564 1.00 55.13 C ATOM 1473 CE1 TYR A 101 23.562 -8.915 4.238 1.00 2.13 C ATOM 1474 CE2 TYR A 101 24.934 -8.520 2.318 1.00 63.12 C ATOM 1475 CZ TYR A 101 24.274 -9.393 3.158 1.00 43.51 C ATOM 1476 OH TYR A 101 24.328 -10.746 2.917 1.00 33.32 O ATOM 0 H TYR A 101 24.043 -2.758 4.967 1.00 32.23 H new ATOM 0 HA TYR A 101 23.610 -5.503 5.972 1.00 31.13 H new ATOM 0 HB2 TYR A 101 23.175 -4.773 3.511 1.00 61.01 H new ATOM 0 HB3 TYR A 101 24.919 -4.679 3.367 1.00 61.01 H new ATOM 0 HD1 TYR A 101 22.954 -7.184 5.323 1.00 54.14 H new ATOM 0 HD2 TYR A 101 25.400 -6.482 1.906 1.00 55.13 H new ATOM 0 HE1 TYR A 101 23.046 -9.600 4.894 1.00 2.13 H new ATOM 0 HE2 TYR A 101 25.490 -8.897 1.472 1.00 63.12 H new ATOM 0 HH TYR A 101 24.310 -11.231 3.768 1.00 33.32 H new