USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=35 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 170:sc= 0 USER MOD Set 2.1: A 24 THR OG1 : rot -104:sc= 1.15 USER MOD Set 2.2: A 83 HIS :FLIP no HD1:sc= 0.0263 F(o=-0.61,f=1.2) USER MOD Set 3.1: A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 2.33 (180deg=1.13) USER MOD Single : A 6 ASN :FLIP amide:sc= -2.34! C(o=-4.8!,f=-2.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0809 USER MOD Single : A 12 ASN : amide:sc= -1.19! C(o=-1.2!,f=-1.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.335 K(o=-0.33,f=-4!) 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= -0.718 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.78) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.131 USER MOD Single : A 47 TYR OH : rot 150:sc= 0.0485 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.42 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 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.5) USER MOD Single : A 69 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.48) USER MOD Single : A 71 SER OG : rot 61:sc= -1.11 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 38:sc= 0.554 USER MOD Single : A 75 SER OG : rot 180:sc= 0 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 129:sc=-0.00752 USER MOD Single : A 85 MET CE :methyl -121:sc= -0.304 (180deg=-0.717) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.73) 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 77:sc= 1.15 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -5.25! C(o=-6.2!,f=-5.3!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 3.862 -1.651 -0.746 1.00 1.13 N ATOM 9 CA ASN A 2 4.792 -2.754 -0.955 1.00 25.45 C ATOM 10 C ASN A 2 5.919 -2.718 0.074 1.00 71.22 C ATOM 11 O ASN A 2 5.921 -1.884 0.979 1.00 44.41 O ATOM 12 CB ASN A 2 5.375 -2.697 -2.368 1.00 42.11 C ATOM 13 CG ASN A 2 4.355 -3.060 -3.429 1.00 54.24 C ATOM 14 OD1 ASN A 2 3.785 -2.186 -4.084 1.00 4.04 O ATOM 15 ND2 ASN A 2 4.118 -4.355 -3.604 1.00 44.25 N ATOM 0 HA ASN A 2 4.242 -3.687 -0.834 1.00 25.45 H new ATOM 0 HB2 ASN A 2 5.755 -1.694 -2.561 1.00 42.11 H new ATOM 0 HB3 ASN A 2 6.224 -3.378 -2.436 1.00 42.11 H new ATOM 0 HD21 ASN A 2 3.441 -4.660 -4.303 1.00 44.25 H new ATOM 0 HD22 ASN A 2 4.613 -5.045 -3.039 1.00 44.25 H new ATOM 22 N VAL A 3 6.876 -3.629 -0.072 1.00 71.24 N ATOM 23 CA VAL A 3 8.009 -3.701 0.842 1.00 2.01 C ATOM 24 C VAL A 3 9.323 -3.451 0.110 1.00 52.51 C ATOM 25 O VAL A 3 9.787 -4.292 -0.661 1.00 55.54 O ATOM 26 CB VAL A 3 8.078 -5.070 1.544 1.00 63.32 C ATOM 27 CG1 VAL A 3 7.089 -5.129 2.698 1.00 25.41 C ATOM 28 CG2 VAL A 3 7.818 -6.192 0.550 1.00 54.23 C ATOM 0 H VAL A 3 6.889 -4.328 -0.815 1.00 71.24 H new ATOM 0 HA VAL A 3 7.860 -2.924 1.591 1.00 2.01 H new ATOM 0 HB VAL A 3 9.081 -5.200 1.950 1.00 63.32 H new ATOM 0 HG11 VAL A 3 7.152 -6.104 3.182 1.00 25.41 H new ATOM 0 HG12 VAL A 3 7.327 -4.349 3.421 1.00 25.41 H new ATOM 0 HG13 VAL A 3 6.078 -4.977 2.319 1.00 25.41 H new ATOM 0 HG21 VAL A 3 7.871 -7.152 1.063 1.00 54.23 H new ATOM 0 HG22 VAL A 3 6.827 -6.068 0.112 1.00 54.23 H new ATOM 0 HG23 VAL A 3 8.570 -6.161 -0.239 1.00 54.23 H new ATOM 38 N LEU A 4 9.919 -2.289 0.356 1.00 31.34 N ATOM 39 CA LEU A 4 11.181 -1.927 -0.279 1.00 61.01 C ATOM 40 C LEU A 4 12.173 -1.388 0.747 1.00 34.43 C ATOM 41 O LEU A 4 11.781 -0.805 1.758 1.00 21.25 O ATOM 42 CB LEU A 4 10.943 -0.884 -1.372 1.00 45.50 C ATOM 43 CG LEU A 4 9.978 0.249 -1.021 1.00 33.35 C ATOM 44 CD1 LEU A 4 10.547 1.590 -1.456 1.00 54.13 C ATOM 45 CD2 LEU A 4 8.619 0.009 -1.663 1.00 1.53 C ATOM 0 H LEU A 4 9.548 -1.582 0.991 1.00 31.34 H new ATOM 0 HA LEU A 4 11.604 -2.826 -0.728 1.00 61.01 H new ATOM 0 HB2 LEU A 4 11.903 -0.445 -1.643 1.00 45.50 H new ATOM 0 HB3 LEU A 4 10.565 -1.395 -2.258 1.00 45.50 H new ATOM 0 HG LEU A 4 9.848 0.268 0.061 1.00 33.35 H new ATOM 0 HD11 LEU A 4 9.846 2.384 -1.198 1.00 54.13 H new ATOM 0 HD12 LEU A 4 11.496 1.765 -0.949 1.00 54.13 H new ATOM 0 HD13 LEU A 4 10.708 1.585 -2.534 1.00 54.13 H new ATOM 0 HD21 LEU A 4 7.945 0.825 -1.403 1.00 1.53 H new ATOM 0 HD22 LEU A 4 8.731 -0.037 -2.746 1.00 1.53 H new ATOM 0 HD23 LEU A 4 8.206 -0.932 -1.300 1.00 1.53 H new ATOM 57 N LYS A 5 13.459 -1.586 0.480 1.00 50.34 N ATOM 58 CA LYS A 5 14.508 -1.117 1.377 1.00 23.31 C ATOM 59 C LYS A 5 15.870 -1.161 0.691 1.00 1.53 C ATOM 60 O LYS A 5 16.425 -0.125 0.328 1.00 44.32 O ATOM 61 CB LYS A 5 14.538 -1.969 2.648 1.00 3.23 C ATOM 62 CG LYS A 5 15.516 -1.464 3.696 1.00 53.14 C ATOM 63 CD LYS A 5 15.185 -0.046 4.129 1.00 11.24 C ATOM 64 CE LYS A 5 13.747 0.069 4.611 1.00 74.41 C ATOM 65 NZ LYS A 5 12.899 0.828 3.651 1.00 40.43 N ATOM 0 H LYS A 5 13.800 -2.069 -0.351 1.00 50.34 H new ATOM 0 HA LYS A 5 14.288 -0.083 1.644 1.00 23.31 H new ATOM 0 HB2 LYS A 5 13.538 -1.997 3.080 1.00 3.23 H new ATOM 0 HB3 LYS A 5 14.800 -2.993 2.383 1.00 3.23 H new ATOM 0 HG2 LYS A 5 15.495 -2.124 4.563 1.00 53.14 H new ATOM 0 HG3 LYS A 5 16.529 -1.496 3.295 1.00 53.14 H new ATOM 0 HD2 LYS A 5 15.862 0.259 4.926 1.00 11.24 H new ATOM 0 HD3 LYS A 5 15.346 0.637 3.295 1.00 11.24 H new ATOM 0 HE2 LYS A 5 13.331 -0.928 4.753 1.00 74.41 H new ATOM 0 HE3 LYS A 5 13.728 0.564 5.582 1.00 74.41 H new ATOM 0 HZ1 LYS A 5 12.058 1.191 4.143 1.00 40.43 H new ATOM 0 HZ2 LYS A 5 13.443 1.624 3.261 1.00 40.43 H new ATOM 0 HZ3 LYS A 5 12.603 0.199 2.877 1.00 40.43 H new ATOM 79 N ASN A 6 16.402 -2.366 0.517 1.00 72.12 N ATOM 80 CA ASN A 6 17.698 -2.544 -0.127 1.00 5.34 C ATOM 81 C ASN A 6 17.656 -2.069 -1.576 1.00 3.22 C ATOM 82 O ASN A 6 16.590 -1.995 -2.185 1.00 32.14 O ATOM 83 CB ASN A 6 18.121 -4.013 -0.072 1.00 23.12 C ATOM 84 CG ASN A 6 19.556 -4.219 -0.517 1.00 42.14 C ATOM 85 OD1 ASN A 6 20.466 -3.421 0.030 1.00 20.22 O flip ATOM 86 ND2 ASN A 6 19.843 -5.085 -1.344 1.00 73.01 N flip ATOM 0 H ASN A 6 15.956 -3.234 0.813 1.00 72.12 H new ATOM 0 HA ASN A 6 18.429 -1.942 0.413 1.00 5.34 H new ATOM 0 HB2 ASN A 6 18.002 -4.384 0.946 1.00 23.12 H new ATOM 0 HB3 ASN A 6 17.459 -4.603 -0.706 1.00 23.12 H new ATOM 0 HD21 ASN A 6 19.111 -5.676 -1.738 1.00 73.01 H new ATOM 0 HD22 ASN A 6 20.813 -5.211 -1.635 1.00 73.01 H new ATOM 93 N ASN A 7 18.825 -1.748 -2.122 1.00 71.51 N ATOM 94 CA ASN A 7 18.922 -1.281 -3.500 1.00 52.30 C ATOM 95 C ASN A 7 18.760 0.235 -3.573 1.00 34.42 C ATOM 96 O ASN A 7 19.658 0.946 -4.023 1.00 43.13 O ATOM 97 CB ASN A 7 17.860 -1.961 -4.367 1.00 44.43 C ATOM 98 CG ASN A 7 18.302 -2.109 -5.811 1.00 34.45 C ATOM 99 OD1 ASN A 7 19.087 -2.997 -6.143 1.00 23.13 O ATOM 100 ND2 ASN A 7 17.797 -1.238 -6.676 1.00 73.22 N ATOM 0 H ASN A 7 19.718 -1.803 -1.631 1.00 71.51 H new ATOM 0 HA ASN A 7 19.911 -1.542 -3.877 1.00 52.30 H new ATOM 0 HB2 ASN A 7 17.635 -2.945 -3.956 1.00 44.43 H new ATOM 0 HB3 ASN A 7 16.938 -1.381 -4.329 1.00 44.43 H new ATOM 0 HD21 ASN A 7 18.057 -1.289 -7.661 1.00 73.22 H new ATOM 0 HD22 ASN A 7 17.149 -0.518 -6.356 1.00 73.22 H new ATOM 107 N THR A 8 17.607 0.723 -3.126 1.00 11.25 N ATOM 108 CA THR A 8 17.326 2.153 -3.140 1.00 12.20 C ATOM 109 C THR A 8 16.741 2.612 -1.809 1.00 5.20 C ATOM 110 O THR A 8 15.703 2.127 -1.359 1.00 42.11 O ATOM 111 CB THR A 8 16.348 2.522 -4.272 1.00 10.15 C ATOM 112 OG1 THR A 8 16.852 2.052 -5.527 1.00 13.41 O ATOM 113 CG2 THR A 8 16.137 4.027 -4.335 1.00 40.31 C ATOM 0 H THR A 8 16.853 0.149 -2.750 1.00 11.25 H new ATOM 0 HA THR A 8 18.276 2.660 -3.310 1.00 12.20 H new ATOM 0 HB THR A 8 15.390 2.045 -4.065 1.00 10.15 H new ATOM 0 HG1 THR A 8 16.224 2.289 -6.241 1.00 13.41 H new ATOM 0 HG21 THR A 8 15.443 4.264 -5.142 1.00 40.31 H new ATOM 0 HG22 THR A 8 15.726 4.377 -3.388 1.00 40.31 H new ATOM 0 HG23 THR A 8 17.091 4.521 -4.521 1.00 40.31 H new ATOM 121 N PRO A 9 17.422 3.570 -1.162 1.00 54.42 N ATOM 122 CA PRO A 9 16.987 4.117 0.127 1.00 61.22 C ATOM 123 C PRO A 9 15.724 4.961 0.002 1.00 14.30 C ATOM 124 O PRO A 9 15.457 5.547 -1.048 1.00 22.14 O ATOM 125 CB PRO A 9 18.170 4.986 0.561 1.00 63.33 C ATOM 126 CG PRO A 9 18.850 5.362 -0.710 1.00 52.44 C ATOM 127 CD PRO A 9 18.667 4.194 -1.640 1.00 10.53 C ATOM 0 HA PRO A 9 16.734 3.331 0.839 1.00 61.22 H new ATOM 0 HB2 PRO A 9 17.834 5.868 1.106 1.00 63.33 H new ATOM 0 HB3 PRO A 9 18.842 4.439 1.222 1.00 63.33 H new ATOM 0 HG2 PRO A 9 18.415 6.268 -1.132 1.00 52.44 H new ATOM 0 HG3 PRO A 9 19.908 5.564 -0.541 1.00 52.44 H new ATOM 0 HD2 PRO A 9 18.582 4.516 -2.678 1.00 10.53 H new ATOM 0 HD3 PRO A 9 19.509 3.503 -1.588 1.00 10.53 H new ATOM 135 N VAL A 10 14.948 5.020 1.080 1.00 51.50 N ATOM 136 CA VAL A 10 13.713 5.795 1.091 1.00 33.04 C ATOM 137 C VAL A 10 13.996 7.279 1.294 1.00 5.14 C ATOM 138 O VAL A 10 14.487 7.690 2.346 1.00 31.41 O ATOM 139 CB VAL A 10 12.757 5.310 2.198 1.00 53.45 C ATOM 140 CG1 VAL A 10 11.514 6.186 2.251 1.00 71.13 C ATOM 141 CG2 VAL A 10 12.383 3.852 1.977 1.00 53.41 C ATOM 0 H VAL A 10 15.153 4.540 1.957 1.00 51.50 H new ATOM 0 HA VAL A 10 13.239 5.649 0.120 1.00 33.04 H new ATOM 0 HB VAL A 10 13.269 5.389 3.157 1.00 53.45 H new ATOM 0 HG11 VAL A 10 10.850 5.829 3.038 1.00 71.13 H new ATOM 0 HG12 VAL A 10 11.803 7.216 2.460 1.00 71.13 H new ATOM 0 HG13 VAL A 10 10.997 6.142 1.293 1.00 71.13 H new ATOM 0 HG21 VAL A 10 11.707 3.526 2.768 1.00 53.41 H new ATOM 0 HG22 VAL A 10 11.889 3.745 1.011 1.00 53.41 H new ATOM 0 HG23 VAL A 10 13.284 3.239 1.994 1.00 53.41 H new ATOM 151 N SER A 11 13.684 8.080 0.280 1.00 23.34 N ATOM 152 CA SER A 11 13.909 9.519 0.346 1.00 53.12 C ATOM 153 C SER A 11 12.792 10.208 1.124 1.00 0.13 C ATOM 154 O SER A 11 11.637 9.787 1.078 1.00 22.44 O ATOM 155 CB SER A 11 14.001 10.107 -1.064 1.00 20.23 C ATOM 156 OG SER A 11 13.793 9.108 -2.047 1.00 41.13 O ATOM 0 H SER A 11 13.275 7.757 -0.597 1.00 23.34 H new ATOM 0 HA SER A 11 14.851 9.691 0.867 1.00 53.12 H new ATOM 0 HB2 SER A 11 13.259 10.897 -1.181 1.00 20.23 H new ATOM 0 HB3 SER A 11 14.980 10.565 -1.207 1.00 20.23 H new ATOM 0 HG SER A 11 13.855 9.509 -2.939 1.00 41.13 H new ATOM 162 N ASN A 12 13.146 11.271 1.839 1.00 44.20 N ATOM 163 CA ASN A 12 12.175 12.020 2.629 1.00 62.43 C ATOM 164 C ASN A 12 11.248 11.075 3.388 1.00 53.35 C ATOM 165 O ASN A 12 10.127 10.806 2.953 1.00 61.20 O ATOM 166 CB ASN A 12 11.354 12.942 1.725 1.00 22.12 C ATOM 167 CG ASN A 12 11.655 12.728 0.254 1.00 3.03 C ATOM 168 OD1 ASN A 12 10.937 12.009 -0.440 1.00 35.44 O ATOM 169 ND2 ASN A 12 12.723 13.354 -0.228 1.00 73.30 N ATOM 0 H ASN A 12 14.098 11.633 1.888 1.00 44.20 H new ATOM 0 HA ASN A 12 12.721 12.625 3.353 1.00 62.43 H new ATOM 0 HB2 ASN A 12 10.293 12.771 1.904 1.00 22.12 H new ATOM 0 HB3 ASN A 12 11.559 13.980 1.988 1.00 22.12 H new ATOM 0 HD21 ASN A 12 12.976 13.248 -1.210 1.00 73.30 H new ATOM 0 HD22 ASN A 12 13.290 13.941 0.384 1.00 73.30 H new ATOM 176 N LEU A 13 11.722 10.576 4.524 1.00 53.04 N ATOM 177 CA LEU A 13 10.935 9.662 5.345 1.00 62.14 C ATOM 178 C LEU A 13 9.786 10.396 6.028 1.00 32.31 C ATOM 179 O LEU A 13 9.488 11.546 5.704 1.00 61.23 O ATOM 180 CB LEU A 13 11.825 8.994 6.394 1.00 10.04 C ATOM 181 CG LEU A 13 11.960 7.474 6.292 1.00 55.34 C ATOM 182 CD1 LEU A 13 10.589 6.815 6.307 1.00 22.10 C ATOM 183 CD2 LEU A 13 12.724 7.091 5.033 1.00 30.40 C ATOM 0 H LEU A 13 12.647 10.789 4.898 1.00 53.04 H new ATOM 0 HA LEU A 13 10.515 8.896 4.693 1.00 62.14 H new ATOM 0 HB2 LEU A 13 12.821 9.432 6.328 1.00 10.04 H new ATOM 0 HB3 LEU A 13 11.434 9.238 7.382 1.00 10.04 H new ATOM 0 HG LEU A 13 12.521 7.118 7.156 1.00 55.34 H new ATOM 0 HD11 LEU A 13 10.704 5.734 6.234 1.00 22.10 H new ATOM 0 HD12 LEU A 13 10.076 7.063 7.236 1.00 22.10 H new ATOM 0 HD13 LEU A 13 10.003 7.176 5.462 1.00 22.10 H new ATOM 0 HD21 LEU A 13 12.811 6.006 4.976 1.00 30.40 H new ATOM 0 HD22 LEU A 13 12.190 7.459 4.157 1.00 30.40 H new ATOM 0 HD23 LEU A 13 13.720 7.534 5.063 1.00 30.40 H new ATOM 195 N THR A 14 9.143 9.724 6.978 1.00 23.34 N ATOM 196 CA THR A 14 8.027 10.312 7.709 1.00 65.51 C ATOM 197 C THR A 14 8.088 9.951 9.189 1.00 44.32 C ATOM 198 O THR A 14 8.389 8.814 9.549 1.00 3.20 O ATOM 199 CB THR A 14 6.675 9.850 7.135 1.00 73.30 C ATOM 200 OG1 THR A 14 6.699 8.438 6.898 1.00 23.45 O ATOM 201 CG2 THR A 14 6.359 10.581 5.839 1.00 72.42 C ATOM 0 H THR A 14 9.376 8.772 7.259 1.00 23.34 H new ATOM 0 HA THR A 14 8.110 11.393 7.598 1.00 65.51 H new ATOM 0 HB THR A 14 5.898 10.082 7.864 1.00 73.30 H new ATOM 0 HG1 THR A 14 5.835 8.153 6.535 1.00 23.45 H new ATOM 0 HG21 THR A 14 5.399 10.238 5.452 1.00 72.42 H new ATOM 0 HG22 THR A 14 6.312 11.653 6.028 1.00 72.42 H new ATOM 0 HG23 THR A 14 7.139 10.376 5.106 1.00 72.42 H new ATOM 209 N GLY A 15 7.800 10.928 10.043 1.00 12.25 N ATOM 210 CA GLY A 15 7.827 10.693 11.475 1.00 0.33 C ATOM 211 C GLY A 15 6.642 11.315 12.188 1.00 43.15 C ATOM 212 O GLY A 15 6.812 12.149 13.076 1.00 34.10 O ATOM 0 H GLY A 15 7.549 11.878 9.769 1.00 12.25 H new ATOM 0 HA2 GLY A 15 7.838 9.619 11.664 1.00 0.33 H new ATOM 0 HA3 GLY A 15 8.750 11.099 11.889 1.00 0.33 H new ATOM 216 N ASN A 16 5.439 10.910 11.796 1.00 73.25 N ATOM 217 CA ASN A 16 4.220 11.435 12.401 1.00 25.15 C ATOM 218 C ASN A 16 3.981 10.809 13.772 1.00 21.20 C ATOM 219 O ASN A 16 4.184 9.610 13.963 1.00 30.44 O ATOM 220 CB ASN A 16 3.019 11.172 11.491 1.00 21.13 C ATOM 221 CG ASN A 16 3.336 11.419 10.029 1.00 3.22 C ATOM 222 OD1 ASN A 16 4.066 10.651 9.402 1.00 34.31 O ATOM 223 ND2 ASN A 16 2.788 12.497 9.479 1.00 24.50 N ATOM 0 H ASN A 16 5.282 10.220 11.062 1.00 73.25 H new ATOM 0 HA ASN A 16 4.341 12.511 12.528 1.00 25.15 H new ATOM 0 HB2 ASN A 16 2.688 10.141 11.619 1.00 21.13 H new ATOM 0 HB3 ASN A 16 2.190 11.812 11.793 1.00 21.13 H new ATOM 0 HD21 ASN A 16 2.966 12.716 8.499 1.00 24.50 H new ATOM 0 HD22 ASN A 16 2.189 13.106 10.037 1.00 24.50 H new ATOM 230 N LYS A 17 3.548 11.629 14.723 1.00 34.14 N ATOM 231 CA LYS A 17 3.278 11.157 16.076 1.00 10.24 C ATOM 232 C LYS A 17 2.352 9.945 16.056 1.00 65.14 C ATOM 233 O LYS A 17 2.373 9.120 16.969 1.00 51.54 O ATOM 234 CB LYS A 17 2.652 12.275 16.913 1.00 5.33 C ATOM 235 CG LYS A 17 1.554 13.035 16.190 1.00 61.03 C ATOM 236 CD LYS A 17 1.962 14.471 15.907 1.00 65.01 C ATOM 237 CE LYS A 17 1.768 15.357 17.128 1.00 32.41 C ATOM 238 NZ LYS A 17 0.432 16.015 17.129 1.00 71.42 N ATOM 0 H LYS A 17 3.376 12.624 14.582 1.00 34.14 H new ATOM 0 HA LYS A 17 4.226 10.861 16.526 1.00 10.24 H new ATOM 0 HB2 LYS A 17 2.244 11.847 17.828 1.00 5.33 H new ATOM 0 HB3 LYS A 17 3.432 12.976 17.210 1.00 5.33 H new ATOM 0 HG2 LYS A 17 1.319 12.531 15.252 1.00 61.03 H new ATOM 0 HG3 LYS A 17 0.646 13.026 16.793 1.00 61.03 H new ATOM 0 HD2 LYS A 17 3.007 14.499 15.598 1.00 65.01 H new ATOM 0 HD3 LYS A 17 1.373 14.861 15.076 1.00 65.01 H new ATOM 0 HE2 LYS A 17 1.879 14.759 18.032 1.00 32.41 H new ATOM 0 HE3 LYS A 17 2.548 16.118 17.152 1.00 32.41 H new ATOM 0 HZ1 LYS A 17 0.339 16.610 17.977 1.00 71.42 H new ATOM 0 HZ2 LYS A 17 0.336 16.606 16.279 1.00 71.42 H new ATOM 0 HZ3 LYS A 17 -0.313 15.289 17.132 1.00 71.42 H new ATOM 252 N GLY A 18 1.542 9.842 15.006 1.00 0.35 N ATOM 253 CA GLY A 18 0.622 8.727 14.886 1.00 33.33 C ATOM 254 C GLY A 18 0.959 7.820 13.720 1.00 62.25 C ATOM 255 O GLY A 18 1.158 6.618 13.896 1.00 73.10 O ATOM 0 H GLY A 18 1.507 10.511 14.237 1.00 0.35 H new ATOM 0 HA2 GLY A 18 0.636 8.147 15.809 1.00 33.33 H new ATOM 0 HA3 GLY A 18 -0.392 9.108 14.765 1.00 33.33 H new ATOM 259 N SER A 19 1.023 8.396 12.523 1.00 32.13 N ATOM 260 CA SER A 19 1.333 7.630 11.322 1.00 40.23 C ATOM 261 C SER A 19 2.684 6.934 11.455 1.00 60.01 C ATOM 262 O SER A 19 3.524 7.335 12.260 1.00 53.22 O ATOM 263 CB SER A 19 1.337 8.545 10.095 1.00 34.23 C ATOM 264 OG SER A 19 0.922 7.844 8.935 1.00 13.35 O ATOM 0 H SER A 19 0.864 9.390 12.360 1.00 32.13 H new ATOM 0 HA SER A 19 0.562 6.869 11.197 1.00 40.23 H new ATOM 0 HB2 SER A 19 0.675 9.393 10.268 1.00 34.23 H new ATOM 0 HB3 SER A 19 2.338 8.948 9.941 1.00 34.23 H new ATOM 0 HG SER A 19 0.931 8.451 8.165 1.00 13.35 H new ATOM 270 N GLU A 20 2.885 5.888 10.659 1.00 51.31 N ATOM 271 CA GLU A 20 4.133 5.135 10.688 1.00 3.44 C ATOM 272 C GLU A 20 4.408 4.484 9.336 1.00 50.10 C ATOM 273 O GLU A 20 3.534 4.432 8.471 1.00 70.25 O ATOM 274 CB GLU A 20 4.084 4.066 11.781 1.00 32.43 C ATOM 275 CG GLU A 20 3.889 4.631 13.178 1.00 33.01 C ATOM 276 CD GLU A 20 3.826 3.551 14.241 1.00 40.31 C ATOM 277 OE1 GLU A 20 4.849 2.867 14.452 1.00 44.13 O ATOM 278 OE2 GLU A 20 2.755 3.390 14.861 1.00 15.34 O ATOM 0 H GLU A 20 2.200 5.543 9.987 1.00 51.31 H new ATOM 0 HA GLU A 20 4.942 5.831 10.907 1.00 3.44 H new ATOM 0 HB2 GLU A 20 3.272 3.372 11.562 1.00 32.43 H new ATOM 0 HB3 GLU A 20 5.010 3.491 11.757 1.00 32.43 H new ATOM 0 HG2 GLU A 20 4.707 5.314 13.407 1.00 33.01 H new ATOM 0 HG3 GLU A 20 2.969 5.215 13.204 1.00 33.01 H new ATOM 285 N VAL A 21 5.629 3.989 9.161 1.00 2.03 N ATOM 286 CA VAL A 21 6.020 3.341 7.915 1.00 22.43 C ATOM 287 C VAL A 21 6.835 2.080 8.184 1.00 52.22 C ATOM 288 O VAL A 21 7.725 2.073 9.034 1.00 21.22 O ATOM 289 CB VAL A 21 6.842 4.289 7.023 1.00 41.43 C ATOM 290 CG1 VAL A 21 6.022 4.738 5.823 1.00 11.50 C ATOM 291 CG2 VAL A 21 7.328 5.487 7.825 1.00 64.01 C ATOM 0 H VAL A 21 6.365 4.024 9.867 1.00 2.03 H new ATOM 0 HA VAL A 21 5.100 3.072 7.396 1.00 22.43 H new ATOM 0 HB VAL A 21 7.714 3.749 6.655 1.00 41.43 H new ATOM 0 HG11 VAL A 21 6.619 5.407 5.204 1.00 11.50 H new ATOM 0 HG12 VAL A 21 5.728 3.867 5.237 1.00 11.50 H new ATOM 0 HG13 VAL A 21 5.130 5.261 6.167 1.00 11.50 H new ATOM 0 HG21 VAL A 21 7.907 6.147 7.179 1.00 64.01 H new ATOM 0 HG22 VAL A 21 6.471 6.030 8.223 1.00 64.01 H new ATOM 0 HG23 VAL A 21 7.954 5.144 8.648 1.00 64.01 H new ATOM 301 N PHE A 22 6.524 1.015 7.452 1.00 25.15 N ATOM 302 CA PHE A 22 7.228 -0.253 7.612 1.00 55.24 C ATOM 303 C PHE A 22 7.532 -0.880 6.254 1.00 32.04 C ATOM 304 O PHE A 22 6.765 -0.729 5.303 1.00 64.14 O ATOM 305 CB PHE A 22 6.396 -1.219 8.458 1.00 54.14 C ATOM 306 CG PHE A 22 5.296 -1.894 7.689 1.00 15.23 C ATOM 307 CD1 PHE A 22 4.274 -1.151 7.119 1.00 43.10 C ATOM 308 CD2 PHE A 22 5.283 -3.271 7.537 1.00 51.21 C ATOM 309 CE1 PHE A 22 3.261 -1.770 6.412 1.00 15.42 C ATOM 310 CE2 PHE A 22 4.272 -3.895 6.831 1.00 72.13 C ATOM 311 CZ PHE A 22 3.260 -3.143 6.267 1.00 71.22 C ATOM 0 H PHE A 22 5.790 1.004 6.743 1.00 25.15 H new ATOM 0 HA PHE A 22 8.171 -0.056 8.121 1.00 55.24 H new ATOM 0 HB2 PHE A 22 7.054 -1.979 8.879 1.00 54.14 H new ATOM 0 HB3 PHE A 22 5.961 -0.674 9.296 1.00 54.14 H new ATOM 0 HD1 PHE A 22 4.269 -0.077 7.229 1.00 43.10 H new ATOM 0 HD2 PHE A 22 6.072 -3.864 7.975 1.00 51.21 H new ATOM 0 HE1 PHE A 22 2.470 -1.180 5.973 1.00 15.42 H new ATOM 0 HE2 PHE A 22 4.273 -4.969 6.720 1.00 72.13 H new ATOM 0 HZ PHE A 22 2.469 -3.628 5.714 1.00 71.22 H new ATOM 321 N TYR A 23 8.656 -1.583 6.173 1.00 33.43 N ATOM 322 CA TYR A 23 9.064 -2.231 4.933 1.00 70.44 C ATOM 323 C TYR A 23 9.796 -3.540 5.216 1.00 14.34 C ATOM 324 O TYR A 23 10.201 -3.806 6.348 1.00 20.24 O ATOM 325 CB TYR A 23 9.961 -1.299 4.117 1.00 42.01 C ATOM 326 CG TYR A 23 9.466 0.129 4.068 1.00 33.35 C ATOM 327 CD1 TYR A 23 8.406 0.490 3.245 1.00 23.13 C ATOM 328 CD2 TYR A 23 10.057 1.116 4.847 1.00 54.50 C ATOM 329 CE1 TYR A 23 7.951 1.793 3.197 1.00 1.25 C ATOM 330 CE2 TYR A 23 9.607 2.422 4.807 1.00 51.13 C ATOM 331 CZ TYR A 23 8.554 2.756 3.980 1.00 23.40 C ATOM 332 OH TYR A 23 8.103 4.055 3.936 1.00 32.33 O ATOM 0 H TYR A 23 9.301 -1.719 6.952 1.00 33.43 H new ATOM 0 HA TYR A 23 8.165 -2.455 4.358 1.00 70.44 H new ATOM 0 HB2 TYR A 23 10.965 -1.312 4.541 1.00 42.01 H new ATOM 0 HB3 TYR A 23 10.039 -1.683 3.100 1.00 42.01 H new ATOM 0 HD1 TYR A 23 7.930 -0.261 2.632 1.00 23.13 H new ATOM 0 HD2 TYR A 23 10.882 0.858 5.495 1.00 54.50 H new ATOM 0 HE1 TYR A 23 7.128 2.057 2.550 1.00 1.25 H new ATOM 0 HE2 TYR A 23 10.077 3.177 5.420 1.00 51.13 H new ATOM 0 HH TYR A 23 8.634 4.607 4.548 1.00 32.33 H new ATOM 342 N THR A 24 9.962 -4.354 4.179 1.00 61.31 N ATOM 343 CA THR A 24 10.644 -5.635 4.315 1.00 60.14 C ATOM 344 C THR A 24 11.544 -5.908 3.115 1.00 24.42 C ATOM 345 O THR A 24 11.185 -5.612 1.976 1.00 53.42 O ATOM 346 CB THR A 24 9.639 -6.793 4.462 1.00 25.54 C ATOM 347 OG1 THR A 24 8.708 -6.504 5.511 1.00 4.40 O ATOM 348 CG2 THR A 24 10.360 -8.099 4.763 1.00 34.24 C ATOM 0 H THR A 24 9.633 -4.149 3.235 1.00 61.31 H new ATOM 0 HA THR A 24 11.253 -5.575 5.217 1.00 60.14 H new ATOM 0 HB THR A 24 9.102 -6.901 3.520 1.00 25.54 H new ATOM 0 HG1 THR A 24 8.933 -7.035 6.303 1.00 4.40 H new ATOM 0 HG21 THR A 24 9.631 -8.903 4.863 1.00 34.24 H new ATOM 0 HG22 THR A 24 11.047 -8.331 3.949 1.00 34.24 H new ATOM 0 HG23 THR A 24 10.920 -8.000 5.693 1.00 34.24 H new ATOM 356 N PHE A 25 12.717 -6.476 3.378 1.00 34.45 N ATOM 357 CA PHE A 25 13.669 -6.790 2.320 1.00 42.22 C ATOM 358 C PHE A 25 14.683 -7.829 2.790 1.00 34.02 C ATOM 359 O PHE A 25 14.943 -7.963 3.986 1.00 33.54 O ATOM 360 CB PHE A 25 14.395 -5.522 1.866 1.00 4.43 C ATOM 361 CG PHE A 25 14.533 -5.410 0.375 1.00 72.42 C ATOM 362 CD1 PHE A 25 15.477 -6.162 -0.305 1.00 63.12 C ATOM 363 CD2 PHE A 25 13.718 -4.554 -0.347 1.00 54.52 C ATOM 364 CE1 PHE A 25 15.606 -6.062 -1.678 1.00 21.52 C ATOM 365 CE2 PHE A 25 13.842 -4.450 -1.720 1.00 15.02 C ATOM 366 CZ PHE A 25 14.788 -5.204 -2.386 1.00 33.42 C ATOM 0 H PHE A 25 13.030 -6.728 4.315 1.00 34.45 H new ATOM 0 HA PHE A 25 13.114 -7.205 1.478 1.00 42.22 H new ATOM 0 HB2 PHE A 25 13.856 -4.651 2.239 1.00 4.43 H new ATOM 0 HB3 PHE A 25 15.387 -5.500 2.317 1.00 4.43 H new ATOM 0 HD1 PHE A 25 16.120 -6.834 0.244 1.00 63.12 H new ATOM 0 HD2 PHE A 25 12.977 -3.961 0.168 1.00 54.52 H new ATOM 0 HE1 PHE A 25 16.346 -6.654 -2.196 1.00 21.52 H new ATOM 0 HE2 PHE A 25 13.199 -3.780 -2.271 1.00 15.02 H new ATOM 0 HZ PHE A 25 14.888 -5.123 -3.458 1.00 33.42 H new ATOM 376 N THR A 26 15.252 -8.564 1.840 1.00 45.31 N ATOM 377 CA THR A 26 16.236 -9.592 2.155 1.00 33.23 C ATOM 378 C THR A 26 17.503 -9.413 1.328 1.00 64.22 C ATOM 379 O THR A 26 17.542 -8.606 0.399 1.00 32.10 O ATOM 380 CB THR A 26 15.671 -11.004 1.909 1.00 13.13 C ATOM 381 OG1 THR A 26 15.595 -11.263 0.503 1.00 22.10 O ATOM 382 CG2 THR A 26 14.291 -11.151 2.532 1.00 14.50 C ATOM 0 H THR A 26 15.048 -8.466 0.845 1.00 45.31 H new ATOM 0 HA THR A 26 16.478 -9.484 3.212 1.00 33.23 H new ATOM 0 HB THR A 26 16.341 -11.726 2.375 1.00 13.13 H new ATOM 0 HG1 THR A 26 15.237 -12.163 0.355 1.00 22.10 H new ATOM 0 HG21 THR A 26 13.913 -12.156 2.345 1.00 14.50 H new ATOM 0 HG22 THR A 26 14.357 -10.982 3.607 1.00 14.50 H new ATOM 0 HG23 THR A 26 13.613 -10.420 2.091 1.00 14.50 H new ATOM 390 N VAL A 27 18.540 -10.172 1.670 1.00 1.41 N ATOM 391 CA VAL A 27 19.810 -10.098 0.957 1.00 13.11 C ATOM 392 C VAL A 27 20.038 -11.345 0.111 1.00 60.22 C ATOM 393 O VAL A 27 19.303 -12.327 0.222 1.00 10.52 O ATOM 394 CB VAL A 27 20.991 -9.928 1.931 1.00 61.13 C ATOM 395 CG1 VAL A 27 20.891 -8.600 2.665 1.00 3.12 C ATOM 396 CG2 VAL A 27 21.042 -11.088 2.914 1.00 54.12 C ATOM 0 H VAL A 27 18.525 -10.845 2.436 1.00 1.41 H new ATOM 0 HA VAL A 27 19.758 -9.225 0.306 1.00 13.11 H new ATOM 0 HB VAL A 27 21.917 -9.929 1.356 1.00 61.13 H new ATOM 0 HG11 VAL A 27 21.734 -8.498 3.349 1.00 3.12 H new ATOM 0 HG12 VAL A 27 20.908 -7.783 1.943 1.00 3.12 H new ATOM 0 HG13 VAL A 27 19.959 -8.566 3.230 1.00 3.12 H new ATOM 0 HG21 VAL A 27 21.882 -10.952 3.595 1.00 54.12 H new ATOM 0 HG22 VAL A 27 20.114 -11.122 3.485 1.00 54.12 H new ATOM 0 HG23 VAL A 27 21.166 -12.023 2.367 1.00 54.12 H new ATOM 406 N ASP A 28 21.062 -11.300 -0.735 1.00 34.33 N ATOM 407 CA ASP A 28 21.389 -12.428 -1.600 1.00 14.21 C ATOM 408 C ASP A 28 22.496 -13.280 -0.987 1.00 15.01 C ATOM 409 O ASP A 28 22.351 -14.494 -0.845 1.00 31.24 O ATOM 410 CB ASP A 28 21.817 -11.931 -2.982 1.00 14.35 C ATOM 411 CG ASP A 28 20.708 -11.185 -3.698 1.00 33.13 C ATOM 412 OD1 ASP A 28 19.570 -11.701 -3.730 1.00 44.41 O ATOM 413 OD2 ASP A 28 20.977 -10.086 -4.225 1.00 12.21 O ATOM 0 H ASP A 28 21.679 -10.495 -0.840 1.00 34.33 H new ATOM 0 HA ASP A 28 20.496 -13.045 -1.704 1.00 14.21 H new ATOM 0 HB2 ASP A 28 22.683 -11.277 -2.878 1.00 14.35 H new ATOM 0 HB3 ASP A 28 22.131 -12.780 -3.589 1.00 14.35 H new ATOM 418 N ARG A 29 23.601 -12.636 -0.627 1.00 13.42 N ATOM 419 CA ARG A 29 24.733 -13.335 -0.031 1.00 41.44 C ATOM 420 C ARG A 29 25.245 -12.591 1.199 1.00 32.51 C ATOM 421 O ARG A 29 24.803 -11.482 1.494 1.00 5.31 O ATOM 422 CB ARG A 29 25.861 -13.487 -1.054 1.00 14.01 C ATOM 423 CG ARG A 29 26.761 -12.267 -1.154 1.00 3.33 C ATOM 424 CD ARG A 29 25.976 -11.025 -1.546 1.00 72.25 C ATOM 425 NE ARG A 29 26.781 -10.093 -2.331 1.00 25.14 N ATOM 426 CZ ARG A 29 26.267 -9.104 -3.052 1.00 53.23 C ATOM 427 NH1 ARG A 29 24.954 -8.919 -3.089 1.00 3.44 N ATOM 428 NH2 ARG A 29 27.065 -8.297 -3.739 1.00 42.21 N ATOM 0 H ARG A 29 23.737 -11.631 -0.738 1.00 13.42 H new ATOM 0 HA ARG A 29 24.395 -14.324 0.278 1.00 41.44 H new ATOM 0 HB2 ARG A 29 26.466 -14.354 -0.789 1.00 14.01 H new ATOM 0 HB3 ARG A 29 25.427 -13.689 -2.033 1.00 14.01 H new ATOM 0 HG2 ARG A 29 27.255 -12.099 -0.197 1.00 3.33 H new ATOM 0 HG3 ARG A 29 27.544 -12.451 -1.890 1.00 3.33 H new ATOM 0 HD2 ARG A 29 25.097 -11.318 -2.121 1.00 72.25 H new ATOM 0 HD3 ARG A 29 25.616 -10.525 -0.647 1.00 72.25 H new ATOM 0 HE ARG A 29 27.794 -10.208 -2.325 1.00 25.14 H new ATOM 0 HH11 ARG A 29 24.337 -9.537 -2.563 1.00 3.44 H new ATOM 0 HH12 ARG A 29 24.562 -8.158 -3.644 1.00 3.44 H new ATOM 0 HH21 ARG A 29 28.075 -8.436 -3.714 1.00 42.21 H new ATOM 0 HH22 ARG A 29 26.668 -7.538 -4.293 1.00 42.21 H new ATOM 442 N ASN A 30 26.178 -13.212 1.913 1.00 21.34 N ATOM 443 CA ASN A 30 26.749 -12.610 3.113 1.00 62.23 C ATOM 444 C ASN A 30 27.743 -11.512 2.749 1.00 4.52 C ATOM 445 O ASN A 30 28.768 -11.771 2.119 1.00 73.13 O ATOM 446 CB ASN A 30 27.440 -13.677 3.965 1.00 72.03 C ATOM 447 CG ASN A 30 28.582 -14.353 3.231 1.00 41.21 C ATOM 448 OD1 ASN A 30 29.738 -13.947 3.351 1.00 2.01 O ATOM 449 ND2 ASN A 30 28.262 -15.390 2.465 1.00 1.53 N ATOM 0 H ASN A 30 26.555 -14.131 1.682 1.00 21.34 H new ATOM 0 HA ASN A 30 25.937 -12.165 3.688 1.00 62.23 H new ATOM 0 HB2 ASN A 30 27.819 -13.219 4.878 1.00 72.03 H new ATOM 0 HB3 ASN A 30 26.709 -14.428 4.265 1.00 72.03 H new ATOM 0 HD21 ASN A 30 28.988 -15.884 1.947 1.00 1.53 H new ATOM 0 HD22 ASN A 30 27.290 -15.692 2.395 1.00 1.53 H new ATOM 456 N ALA A 31 27.433 -10.284 3.152 1.00 4.42 N ATOM 457 CA ALA A 31 28.300 -9.146 2.872 1.00 42.14 C ATOM 458 C ALA A 31 28.320 -8.169 4.042 1.00 14.31 C ATOM 459 O ALA A 31 27.273 -7.816 4.588 1.00 45.32 O ATOM 460 CB ALA A 31 27.851 -8.441 1.600 1.00 11.13 C ATOM 0 H ALA A 31 26.588 -10.052 3.674 1.00 4.42 H new ATOM 0 HA ALA A 31 29.314 -9.520 2.729 1.00 42.14 H new ATOM 0 HB1 ALA A 31 28.507 -7.593 1.403 1.00 11.13 H new ATOM 0 HB2 ALA A 31 27.896 -9.137 0.763 1.00 11.13 H new ATOM 0 HB3 ALA A 31 26.827 -8.087 1.722 1.00 11.13 H new ATOM 466 N THR A 32 29.516 -7.734 4.425 1.00 64.32 N ATOM 467 CA THR A 32 29.672 -6.799 5.532 1.00 60.31 C ATOM 468 C THR A 32 29.752 -5.362 5.030 1.00 3.05 C ATOM 469 O THR A 32 30.755 -4.954 4.445 1.00 72.13 O ATOM 470 CB THR A 32 30.933 -7.113 6.360 1.00 74.45 C ATOM 471 OG1 THR A 32 31.005 -8.518 6.627 1.00 22.25 O ATOM 472 CG2 THR A 32 30.925 -6.342 7.670 1.00 4.35 C ATOM 0 H THR A 32 30.392 -8.015 3.984 1.00 64.32 H new ATOM 0 HA THR A 32 28.793 -6.911 6.167 1.00 60.31 H new ATOM 0 HB THR A 32 31.806 -6.808 5.783 1.00 74.45 H new ATOM 0 HG1 THR A 32 31.810 -8.710 7.152 1.00 22.25 H new ATOM 0 HG21 THR A 32 31.825 -6.580 8.238 1.00 4.35 H new ATOM 0 HG22 THR A 32 30.899 -5.272 7.462 1.00 4.35 H new ATOM 0 HG23 THR A 32 30.046 -6.620 8.251 1.00 4.35 H new ATOM 480 N ALA A 33 28.690 -4.598 5.265 1.00 63.21 N ATOM 481 CA ALA A 33 28.642 -3.205 4.839 1.00 4.02 C ATOM 482 C ALA A 33 28.071 -2.315 5.938 1.00 44.44 C ATOM 483 O ALA A 33 27.226 -2.745 6.723 1.00 43.43 O ATOM 484 CB ALA A 33 27.819 -3.070 3.567 1.00 64.04 C ATOM 0 H ALA A 33 27.852 -4.921 5.748 1.00 63.21 H new ATOM 0 HA ALA A 33 29.661 -2.878 4.635 1.00 4.02 H new ATOM 0 HB1 ALA A 33 27.792 -2.024 3.261 1.00 64.04 H new ATOM 0 HB2 ALA A 33 28.271 -3.668 2.776 1.00 64.04 H new ATOM 0 HB3 ALA A 33 26.804 -3.420 3.752 1.00 64.04 H new ATOM 490 N VAL A 34 28.539 -1.071 5.988 1.00 30.31 N ATOM 491 CA VAL A 34 28.074 -0.120 6.991 1.00 44.15 C ATOM 492 C VAL A 34 27.163 0.932 6.369 1.00 74.01 C ATOM 493 O VAL A 34 27.610 1.777 5.593 1.00 72.52 O ATOM 494 CB VAL A 34 29.255 0.585 7.685 1.00 52.34 C ATOM 495 CG1 VAL A 34 30.207 1.173 6.654 1.00 71.40 C ATOM 496 CG2 VAL A 34 28.749 1.664 8.631 1.00 72.33 C ATOM 0 H VAL A 34 29.239 -0.699 5.346 1.00 30.31 H new ATOM 0 HA VAL A 34 27.514 -0.689 7.732 1.00 44.15 H new ATOM 0 HB VAL A 34 29.803 -0.153 8.271 1.00 52.34 H new ATOM 0 HG11 VAL A 34 31.035 1.667 7.163 1.00 71.40 H new ATOM 0 HG12 VAL A 34 30.595 0.375 6.020 1.00 71.40 H new ATOM 0 HG13 VAL A 34 29.674 1.899 6.039 1.00 71.40 H new ATOM 0 HG21 VAL A 34 29.596 2.152 9.113 1.00 72.33 H new ATOM 0 HG22 VAL A 34 28.177 2.402 8.069 1.00 72.33 H new ATOM 0 HG23 VAL A 34 28.111 1.212 9.390 1.00 72.33 H new ATOM 506 N VAL A 35 25.881 0.875 6.716 1.00 54.43 N ATOM 507 CA VAL A 35 24.905 1.824 6.193 1.00 13.33 C ATOM 508 C VAL A 35 24.141 2.505 7.323 1.00 14.13 C ATOM 509 O VAL A 35 23.770 1.867 8.309 1.00 60.15 O ATOM 510 CB VAL A 35 23.900 1.135 5.251 1.00 32.35 C ATOM 511 CG1 VAL A 35 22.930 2.151 4.668 1.00 1.23 C ATOM 512 CG2 VAL A 35 24.632 0.389 4.146 1.00 33.42 C ATOM 0 H VAL A 35 25.494 0.182 7.357 1.00 54.43 H new ATOM 0 HA VAL A 35 25.462 2.574 5.631 1.00 13.33 H new ATOM 0 HB VAL A 35 23.325 0.411 5.828 1.00 32.35 H new ATOM 0 HG11 VAL A 35 22.228 1.645 4.005 1.00 1.23 H new ATOM 0 HG12 VAL A 35 22.382 2.636 5.476 1.00 1.23 H new ATOM 0 HG13 VAL A 35 23.484 2.902 4.105 1.00 1.23 H new ATOM 0 HG21 VAL A 35 23.907 -0.092 3.490 1.00 33.42 H new ATOM 0 HG22 VAL A 35 25.233 1.092 3.569 1.00 33.42 H new ATOM 0 HG23 VAL A 35 25.281 -0.368 4.586 1.00 33.42 H new ATOM 522 N SER A 36 23.908 3.805 7.174 1.00 53.14 N ATOM 523 CA SER A 36 23.190 4.574 8.183 1.00 2.44 C ATOM 524 C SER A 36 22.157 5.491 7.535 1.00 32.24 C ATOM 525 O SER A 36 22.132 5.651 6.315 1.00 72.33 O ATOM 526 CB SER A 36 24.171 5.402 9.017 1.00 73.40 C ATOM 527 OG SER A 36 24.529 6.597 8.345 1.00 31.04 O ATOM 0 H SER A 36 24.206 4.348 6.364 1.00 53.14 H new ATOM 0 HA SER A 36 22.669 3.873 8.836 1.00 2.44 H new ATOM 0 HB2 SER A 36 23.721 5.643 9.980 1.00 73.40 H new ATOM 0 HB3 SER A 36 25.066 4.814 9.222 1.00 73.40 H new ATOM 0 HG SER A 36 25.155 7.109 8.899 1.00 31.04 H new ATOM 533 N ILE A 37 21.306 6.090 8.362 1.00 71.04 N ATOM 534 CA ILE A 37 20.271 6.991 7.870 1.00 1.11 C ATOM 535 C ILE A 37 20.594 8.440 8.217 1.00 43.52 C ATOM 536 O ILE A 37 21.350 8.713 9.150 1.00 73.23 O ATOM 537 CB ILE A 37 18.890 6.632 8.450 1.00 41.11 C ATOM 538 CG1 ILE A 37 18.824 7.002 9.933 1.00 34.01 C ATOM 539 CG2 ILE A 37 18.602 5.151 8.254 1.00 24.04 C ATOM 540 CD1 ILE A 37 17.642 6.394 10.655 1.00 34.00 C ATOM 0 H ILE A 37 21.313 5.968 9.375 1.00 71.04 H new ATOM 0 HA ILE A 37 20.242 6.877 6.786 1.00 1.11 H new ATOM 0 HB ILE A 37 18.129 7.203 7.918 1.00 41.11 H new ATOM 0 HG12 ILE A 37 19.743 6.679 10.421 1.00 34.01 H new ATOM 0 HG13 ILE A 37 18.778 8.087 10.027 1.00 34.01 H new ATOM 0 HG21 ILE A 37 17.623 4.913 8.669 1.00 24.04 H new ATOM 0 HG22 ILE A 37 18.612 4.916 7.190 1.00 24.04 H new ATOM 0 HG23 ILE A 37 19.365 4.562 8.763 1.00 24.04 H new ATOM 0 HD11 ILE A 37 17.659 6.699 11.701 1.00 34.00 H new ATOM 0 HD12 ILE A 37 16.717 6.737 10.192 1.00 34.00 H new ATOM 0 HD13 ILE A 37 17.697 5.307 10.593 1.00 34.00 H new ATOM 552 N SER A 38 20.015 9.367 7.460 1.00 4.41 N ATOM 553 CA SER A 38 20.243 10.790 7.686 1.00 61.13 C ATOM 554 C SER A 38 19.580 11.626 6.595 1.00 33.15 C ATOM 555 O SER A 38 19.094 11.094 5.599 1.00 75.53 O ATOM 556 CB SER A 38 21.743 11.087 7.730 1.00 2.12 C ATOM 557 OG SER A 38 22.125 11.945 6.669 1.00 12.41 O ATOM 0 H SER A 38 19.385 9.158 6.685 1.00 4.41 H new ATOM 0 HA SER A 38 19.799 11.056 8.645 1.00 61.13 H new ATOM 0 HB2 SER A 38 21.998 11.548 8.684 1.00 2.12 H new ATOM 0 HB3 SER A 38 22.303 10.154 7.667 1.00 2.12 H new ATOM 0 HG SER A 38 23.088 12.120 6.721 1.00 12.41 H new ATOM 563 N GLY A 39 19.564 12.941 6.794 1.00 71.34 N ATOM 564 CA GLY A 39 18.958 13.830 5.820 1.00 10.33 C ATOM 565 C GLY A 39 18.706 15.216 6.380 1.00 52.43 C ATOM 566 O GLY A 39 18.651 16.194 5.635 1.00 61.35 O ATOM 0 H GLY A 39 19.959 13.406 7.611 1.00 71.34 H new ATOM 0 HA2 GLY A 39 19.608 13.906 4.948 1.00 10.33 H new ATOM 0 HA3 GLY A 39 18.015 13.402 5.479 1.00 10.33 H new ATOM 595 N ASP A 43 12.506 13.095 12.498 1.00 60.53 N ATOM 596 CA ASP A 43 12.135 12.380 13.713 1.00 34.43 C ATOM 597 C ASP A 43 11.792 10.925 13.405 1.00 12.42 C ATOM 598 O ASP A 43 10.924 10.333 14.045 1.00 12.05 O ATOM 599 CB ASP A 43 10.946 13.064 14.390 1.00 3.33 C ATOM 600 CG ASP A 43 11.147 13.230 15.884 1.00 65.12 C ATOM 601 OD1 ASP A 43 11.730 12.319 16.508 1.00 20.11 O ATOM 602 OD2 ASP A 43 10.722 14.270 16.429 1.00 54.15 O ATOM 0 HA ASP A 43 12.989 12.398 14.390 1.00 34.43 H new ATOM 0 HB2 ASP A 43 10.787 14.043 13.937 1.00 3.33 H new ATOM 0 HB3 ASP A 43 10.044 12.479 14.210 1.00 3.33 H new ATOM 607 N ALA A 44 12.479 10.357 12.420 1.00 73.23 N ATOM 608 CA ALA A 44 12.248 8.972 12.027 1.00 14.23 C ATOM 609 C ALA A 44 13.240 8.036 12.707 1.00 25.25 C ATOM 610 O ALA A 44 14.453 8.176 12.544 1.00 13.00 O ATOM 611 CB ALA A 44 12.336 8.830 10.515 1.00 43.40 C ATOM 0 H ALA A 44 13.200 10.834 11.879 1.00 73.23 H new ATOM 0 HA ALA A 44 11.245 8.692 12.349 1.00 14.23 H new ATOM 0 HB1 ALA A 44 12.161 7.791 10.236 1.00 43.40 H new ATOM 0 HB2 ALA A 44 11.583 9.463 10.046 1.00 43.40 H new ATOM 0 HB3 ALA A 44 13.327 9.134 10.178 1.00 43.40 H new ATOM 617 N ASP A 45 12.719 7.082 13.471 1.00 61.32 N ATOM 618 CA ASP A 45 13.560 6.122 14.176 1.00 63.41 C ATOM 619 C ASP A 45 13.930 4.953 13.268 1.00 74.23 C ATOM 620 O ASP A 45 13.422 4.836 12.151 1.00 20.55 O ATOM 621 CB ASP A 45 12.845 5.606 15.426 1.00 42.12 C ATOM 622 CG ASP A 45 12.882 6.604 16.567 1.00 72.14 C ATOM 623 OD1 ASP A 45 12.800 7.820 16.294 1.00 11.24 O ATOM 624 OD2 ASP A 45 12.991 6.169 17.732 1.00 64.43 O ATOM 0 H ASP A 45 11.718 6.953 13.618 1.00 61.32 H new ATOM 0 HA ASP A 45 14.476 6.631 14.475 1.00 63.41 H new ATOM 0 HB2 ASP A 45 11.808 5.378 15.180 1.00 42.12 H new ATOM 0 HB3 ASP A 45 13.309 4.673 15.748 1.00 42.12 H new ATOM 629 N LEU A 46 14.817 4.091 13.752 1.00 13.14 N ATOM 630 CA LEU A 46 15.256 2.931 12.984 1.00 15.21 C ATOM 631 C LEU A 46 15.035 1.642 13.770 1.00 52.53 C ATOM 632 O LEU A 46 15.229 1.603 14.985 1.00 51.30 O ATOM 633 CB LEU A 46 16.733 3.069 12.614 1.00 42.43 C ATOM 634 CG LEU A 46 17.267 2.061 11.596 1.00 41.14 C ATOM 635 CD1 LEU A 46 18.364 2.688 10.748 1.00 35.23 C ATOM 636 CD2 LEU A 46 17.782 0.814 12.300 1.00 73.04 C ATOM 0 H LEU A 46 15.247 4.173 14.673 1.00 13.14 H new ATOM 0 HA LEU A 46 14.662 2.885 12.071 1.00 15.21 H new ATOM 0 HB2 LEU A 46 16.896 4.073 12.221 1.00 42.43 H new ATOM 0 HB3 LEU A 46 17.325 2.983 13.525 1.00 42.43 H new ATOM 0 HG LEU A 46 16.448 1.771 10.937 1.00 41.14 H new ATOM 0 HD11 LEU A 46 18.732 1.956 10.029 1.00 35.23 H new ATOM 0 HD12 LEU A 46 17.964 3.550 10.215 1.00 35.23 H new ATOM 0 HD13 LEU A 46 19.183 3.008 11.392 1.00 35.23 H new ATOM 0 HD21 LEU A 46 18.158 0.108 11.560 1.00 73.04 H new ATOM 0 HD22 LEU A 46 18.587 1.088 12.982 1.00 73.04 H new ATOM 0 HD23 LEU A 46 16.970 0.352 12.863 1.00 73.04 H new ATOM 648 N TYR A 47 14.630 0.590 13.068 1.00 63.13 N ATOM 649 CA TYR A 47 14.383 -0.701 13.699 1.00 1.23 C ATOM 650 C TYR A 47 14.647 -1.844 12.724 1.00 30.00 C ATOM 651 O TYR A 47 14.420 -1.714 11.520 1.00 31.23 O ATOM 652 CB TYR A 47 12.944 -0.774 14.211 1.00 34.42 C ATOM 653 CG TYR A 47 12.671 0.138 15.386 1.00 62.13 C ATOM 654 CD1 TYR A 47 12.297 1.462 15.190 1.00 73.32 C ATOM 655 CD2 TYR A 47 12.789 -0.323 16.691 1.00 22.00 C ATOM 656 CE1 TYR A 47 12.047 2.299 16.260 1.00 45.32 C ATOM 657 CE2 TYR A 47 12.540 0.507 17.767 1.00 65.01 C ATOM 658 CZ TYR A 47 12.170 1.817 17.546 1.00 2.23 C ATOM 659 OH TYR A 47 11.923 2.648 18.615 1.00 30.54 O ATOM 0 H TYR A 47 14.466 0.606 12.061 1.00 63.13 H new ATOM 0 HA TYR A 47 15.067 -0.802 14.542 1.00 1.23 H new ATOM 0 HB2 TYR A 47 12.265 -0.518 13.398 1.00 34.42 H new ATOM 0 HB3 TYR A 47 12.722 -1.801 14.500 1.00 34.42 H new ATOM 0 HD1 TYR A 47 12.200 1.843 14.184 1.00 73.32 H new ATOM 0 HD2 TYR A 47 13.080 -1.348 16.868 1.00 22.00 H new ATOM 0 HE1 TYR A 47 11.757 3.325 16.090 1.00 45.32 H new ATOM 0 HE2 TYR A 47 12.635 0.132 18.775 1.00 65.01 H new ATOM 0 HH TYR A 47 11.584 2.120 19.368 1.00 30.54 H new ATOM 669 N LEU A 48 15.127 -2.964 13.252 1.00 24.22 N ATOM 670 CA LEU A 48 15.422 -4.133 12.430 1.00 4.40 C ATOM 671 C LEU A 48 15.331 -5.414 13.252 1.00 21.12 C ATOM 672 O LEU A 48 15.654 -5.427 14.440 1.00 12.13 O ATOM 673 CB LEU A 48 16.816 -4.008 11.813 1.00 43.54 C ATOM 674 CG LEU A 48 16.954 -4.481 10.365 1.00 24.33 C ATOM 675 CD1 LEU A 48 18.299 -4.061 9.792 1.00 32.11 C ATOM 676 CD2 LEU A 48 16.784 -5.991 10.280 1.00 64.11 C ATOM 0 H LEU A 48 15.320 -3.088 14.246 1.00 24.22 H new ATOM 0 HA LEU A 48 14.681 -4.182 11.632 1.00 4.40 H new ATOM 0 HB2 LEU A 48 17.121 -2.963 11.863 1.00 43.54 H new ATOM 0 HB3 LEU A 48 17.516 -4.575 12.428 1.00 43.54 H new ATOM 0 HG LEU A 48 16.168 -4.012 9.773 1.00 24.33 H new ATOM 0 HD11 LEU A 48 18.379 -4.406 8.761 1.00 32.11 H new ATOM 0 HD12 LEU A 48 18.382 -2.975 9.818 1.00 32.11 H new ATOM 0 HD13 LEU A 48 19.101 -4.501 10.385 1.00 32.11 H new ATOM 0 HD21 LEU A 48 16.885 -6.311 9.243 1.00 64.11 H new ATOM 0 HD22 LEU A 48 17.548 -6.478 10.886 1.00 64.11 H new ATOM 0 HD23 LEU A 48 15.797 -6.267 10.650 1.00 64.11 H new ATOM 688 N LYS A 49 14.891 -6.492 12.612 1.00 42.14 N ATOM 689 CA LYS A 49 14.760 -7.780 13.281 1.00 24.43 C ATOM 690 C LYS A 49 14.977 -8.928 12.300 1.00 24.01 C ATOM 691 O LYS A 49 14.287 -9.029 11.286 1.00 21.14 O ATOM 692 CB LYS A 49 13.380 -7.904 13.929 1.00 15.34 C ATOM 693 CG LYS A 49 13.429 -8.297 15.396 1.00 52.42 C ATOM 694 CD LYS A 49 12.180 -9.055 15.812 1.00 33.01 C ATOM 695 CE LYS A 49 12.285 -9.559 17.243 1.00 32.13 C ATOM 696 NZ LYS A 49 11.004 -10.152 17.718 1.00 60.41 N ATOM 0 H LYS A 49 14.619 -6.499 11.629 1.00 42.14 H new ATOM 0 HA LYS A 49 15.525 -7.837 14.055 1.00 24.43 H new ATOM 0 HB2 LYS A 49 12.857 -6.953 13.834 1.00 15.34 H new ATOM 0 HB3 LYS A 49 12.797 -8.645 13.382 1.00 15.34 H new ATOM 0 HG2 LYS A 49 14.308 -8.915 15.579 1.00 52.42 H new ATOM 0 HG3 LYS A 49 13.534 -7.403 16.010 1.00 52.42 H new ATOM 0 HD2 LYS A 49 11.310 -8.405 15.717 1.00 33.01 H new ATOM 0 HD3 LYS A 49 12.023 -9.898 15.139 1.00 33.01 H new ATOM 0 HE2 LYS A 49 13.077 -10.305 17.308 1.00 32.13 H new ATOM 0 HE3 LYS A 49 12.569 -8.735 17.898 1.00 32.13 H new ATOM 0 HZ1 LYS A 49 11.117 -10.484 18.697 1.00 60.41 H new ATOM 0 HZ2 LYS A 49 10.254 -9.433 17.680 1.00 60.41 H new ATOM 0 HZ3 LYS A 49 10.746 -10.954 17.109 1.00 60.41 H new ATOM 710 N ALA A 50 15.939 -9.791 12.609 1.00 24.15 N ATOM 711 CA ALA A 50 16.244 -10.933 11.757 1.00 63.23 C ATOM 712 C ALA A 50 15.264 -12.076 11.999 1.00 64.30 C ATOM 713 O ALA A 50 15.543 -12.992 12.772 1.00 72.34 O ATOM 714 CB ALA A 50 17.673 -11.401 11.992 1.00 32.20 C ATOM 0 H ALA A 50 16.521 -9.721 13.444 1.00 24.15 H new ATOM 0 HA ALA A 50 16.143 -10.617 10.719 1.00 63.23 H new ATOM 0 HB1 ALA A 50 17.887 -12.255 11.349 1.00 32.20 H new ATOM 0 HB2 ALA A 50 18.364 -10.590 11.761 1.00 32.20 H new ATOM 0 HB3 ALA A 50 17.793 -11.694 13.035 1.00 32.20 H new ATOM 720 N GLY A 51 14.115 -12.015 11.334 1.00 72.55 N ATOM 721 CA GLY A 51 13.111 -13.051 11.491 1.00 33.33 C ATOM 722 C GLY A 51 11.701 -12.527 11.301 1.00 45.42 C ATOM 723 O GLY A 51 11.004 -12.925 10.368 1.00 44.24 O ATOM 0 H GLY A 51 13.861 -11.267 10.689 1.00 72.55 H new ATOM 0 HA2 GLY A 51 13.299 -13.847 10.771 1.00 33.33 H new ATOM 0 HA3 GLY A 51 13.201 -13.492 12.484 1.00 33.33 H new ATOM 727 N SER A 52 11.280 -11.631 12.188 1.00 30.32 N ATOM 728 CA SER A 52 9.942 -11.055 12.117 1.00 62.33 C ATOM 729 C SER A 52 9.974 -9.566 12.448 1.00 75.35 C ATOM 730 O SER A 52 10.658 -9.139 13.377 1.00 4.40 O ATOM 731 CB SER A 52 8.999 -11.783 13.077 1.00 52.24 C ATOM 732 OG SER A 52 8.446 -10.887 14.025 1.00 53.21 O ATOM 0 H SER A 52 11.846 -11.288 12.964 1.00 30.32 H new ATOM 0 HA SER A 52 9.575 -11.175 11.098 1.00 62.33 H new ATOM 0 HB2 SER A 52 8.198 -12.261 12.513 1.00 52.24 H new ATOM 0 HB3 SER A 52 9.541 -12.575 13.594 1.00 52.24 H new ATOM 0 HG SER A 52 7.846 -11.376 14.626 1.00 53.21 H new ATOM 738 N LYS A 53 9.227 -8.780 11.679 1.00 32.34 N ATOM 739 CA LYS A 53 9.166 -7.339 11.889 1.00 1.32 C ATOM 740 C LYS A 53 9.314 -6.997 13.369 1.00 75.55 C ATOM 741 O LYS A 53 8.598 -7.518 14.225 1.00 63.23 O ATOM 742 CB LYS A 53 7.845 -6.780 11.355 1.00 21.03 C ATOM 743 CG LYS A 53 7.904 -5.301 11.014 1.00 72.22 C ATOM 744 CD LYS A 53 7.514 -4.439 12.202 1.00 14.42 C ATOM 745 CE LYS A 53 6.054 -4.017 12.129 1.00 1.33 C ATOM 746 NZ LYS A 53 5.489 -3.739 13.479 1.00 72.12 N ATOM 0 H LYS A 53 8.655 -9.118 10.905 1.00 32.34 H new ATOM 0 HA LYS A 53 9.993 -6.883 11.345 1.00 1.32 H new ATOM 0 HB2 LYS A 53 7.557 -7.338 10.464 1.00 21.03 H new ATOM 0 HB3 LYS A 53 7.065 -6.942 12.098 1.00 21.03 H new ATOM 0 HG2 LYS A 53 8.912 -5.041 10.690 1.00 72.22 H new ATOM 0 HG3 LYS A 53 7.237 -5.093 10.178 1.00 72.22 H new ATOM 0 HD2 LYS A 53 7.689 -4.990 13.126 1.00 14.42 H new ATOM 0 HD3 LYS A 53 8.149 -3.553 12.234 1.00 14.42 H new ATOM 0 HE2 LYS A 53 5.964 -3.126 11.507 1.00 1.33 H new ATOM 0 HE3 LYS A 53 5.472 -4.803 11.647 1.00 1.33 H new ATOM 0 HZ1 LYS A 53 4.493 -3.455 13.387 1.00 72.12 H new ATOM 0 HZ2 LYS A 53 5.551 -4.596 14.065 1.00 72.12 H new ATOM 0 HZ3 LYS A 53 6.028 -2.972 13.930 1.00 72.12 H new ATOM 760 N PRO A 54 10.262 -6.101 13.678 1.00 11.03 N ATOM 761 CA PRO A 54 10.524 -5.669 15.054 1.00 14.14 C ATOM 762 C PRO A 54 9.394 -4.814 15.618 1.00 34.34 C ATOM 763 O PRO A 54 8.787 -4.017 14.903 1.00 52.15 O ATOM 764 CB PRO A 54 11.807 -4.844 14.929 1.00 13.42 C ATOM 765 CG PRO A 54 11.809 -4.358 13.521 1.00 71.13 C ATOM 766 CD PRO A 54 11.152 -5.440 12.709 1.00 55.31 C ATOM 0 HA PRO A 54 10.609 -6.514 15.737 1.00 14.14 H new ATOM 0 HB2 PRO A 54 11.814 -4.013 15.635 1.00 13.42 H new ATOM 0 HB3 PRO A 54 12.689 -5.449 15.140 1.00 13.42 H new ATOM 0 HG2 PRO A 54 11.265 -3.418 13.432 1.00 71.13 H new ATOM 0 HG3 PRO A 54 12.825 -4.172 13.174 1.00 71.13 H new ATOM 0 HD2 PRO A 54 10.595 -5.029 11.867 1.00 55.31 H new ATOM 0 HD3 PRO A 54 11.884 -6.134 12.297 1.00 55.31 H new ATOM 774 N THR A 55 9.115 -4.985 16.907 1.00 20.22 N ATOM 775 CA THR A 55 8.057 -4.230 17.567 1.00 25.31 C ATOM 776 C THR A 55 8.635 -3.111 18.426 1.00 32.23 C ATOM 777 O THR A 55 9.852 -2.954 18.524 1.00 3.12 O ATOM 778 CB THR A 55 7.184 -5.141 18.450 1.00 31.30 C ATOM 779 OG1 THR A 55 7.735 -5.219 19.770 1.00 55.14 O ATOM 780 CG2 THR A 55 7.083 -6.537 17.854 1.00 24.41 C ATOM 0 H THR A 55 9.607 -5.640 17.514 1.00 20.22 H new ATOM 0 HA THR A 55 7.438 -3.798 16.780 1.00 25.31 H new ATOM 0 HB THR A 55 6.184 -4.711 18.499 1.00 31.30 H new ATOM 0 HG1 THR A 55 7.173 -5.799 20.325 1.00 55.14 H new ATOM 0 HG21 THR A 55 6.462 -7.162 18.495 1.00 24.41 H new ATOM 0 HG22 THR A 55 6.636 -6.477 16.862 1.00 24.41 H new ATOM 0 HG23 THR A 55 8.079 -6.973 17.778 1.00 24.41 H new ATOM 788 N THR A 56 7.753 -2.335 19.049 1.00 5.23 N ATOM 789 CA THR A 56 8.176 -1.230 19.900 1.00 13.43 C ATOM 790 C THR A 56 8.981 -1.731 21.093 1.00 25.12 C ATOM 791 O THR A 56 9.665 -0.957 21.762 1.00 5.52 O ATOM 792 CB THR A 56 6.968 -0.423 20.414 1.00 42.34 C ATOM 793 OG1 THR A 56 6.098 -1.271 21.171 1.00 70.35 O ATOM 794 CG2 THR A 56 6.200 0.197 19.256 1.00 70.10 C ATOM 0 H THR A 56 6.742 -2.452 18.980 1.00 5.23 H new ATOM 0 HA THR A 56 8.804 -0.582 19.288 1.00 13.43 H new ATOM 0 HB THR A 56 7.339 0.378 21.053 1.00 42.34 H new ATOM 0 HG1 THR A 56 5.334 -0.750 21.495 1.00 70.35 H new ATOM 0 HG21 THR A 56 5.352 0.762 19.643 1.00 70.10 H new ATOM 0 HG22 THR A 56 6.857 0.865 18.700 1.00 70.10 H new ATOM 0 HG23 THR A 56 5.840 -0.591 18.595 1.00 70.10 H new ATOM 802 N SER A 57 8.897 -3.032 21.354 1.00 13.42 N ATOM 803 CA SER A 57 9.616 -3.636 22.469 1.00 21.13 C ATOM 804 C SER A 57 10.631 -4.660 21.970 1.00 71.11 C ATOM 805 O SER A 57 11.635 -4.927 22.629 1.00 23.53 O ATOM 806 CB SER A 57 8.635 -4.303 23.435 1.00 10.24 C ATOM 807 OG SER A 57 8.038 -3.348 24.296 1.00 51.04 O ATOM 0 H SER A 57 8.338 -3.688 20.808 1.00 13.42 H new ATOM 0 HA SER A 57 10.151 -2.845 22.995 1.00 21.13 H new ATOM 0 HB2 SER A 57 7.861 -4.823 22.871 1.00 10.24 H new ATOM 0 HB3 SER A 57 9.157 -5.055 24.027 1.00 10.24 H new ATOM 0 HG SER A 57 7.414 -3.799 24.902 1.00 51.04 H new ATOM 813 N SER A 58 10.360 -5.230 20.800 1.00 43.00 N ATOM 814 CA SER A 58 11.247 -6.228 20.213 1.00 52.35 C ATOM 815 C SER A 58 12.082 -5.619 19.091 1.00 42.25 C ATOM 816 O SER A 58 11.544 -5.065 18.132 1.00 1.31 O ATOM 817 CB SER A 58 10.436 -7.409 19.676 1.00 14.14 C ATOM 818 OG SER A 58 10.817 -8.618 20.308 1.00 24.53 O ATOM 0 H SER A 58 9.534 -5.018 20.240 1.00 43.00 H new ATOM 0 HA SER A 58 11.921 -6.583 20.993 1.00 52.35 H new ATOM 0 HB2 SER A 58 9.373 -7.229 19.839 1.00 14.14 H new ATOM 0 HB3 SER A 58 10.583 -7.496 18.599 1.00 14.14 H new ATOM 0 HG SER A 58 10.182 -9.326 20.070 1.00 24.53 H new ATOM 824 N TRP A 59 13.400 -5.726 19.218 1.00 73.21 N ATOM 825 CA TRP A 59 14.311 -5.186 18.215 1.00 31.30 C ATOM 826 C TRP A 59 15.630 -5.951 18.210 1.00 72.11 C ATOM 827 O TRP A 59 16.029 -6.525 19.223 1.00 2.24 O ATOM 828 CB TRP A 59 14.569 -3.702 18.477 1.00 11.33 C ATOM 829 CG TRP A 59 14.348 -3.303 19.905 1.00 34.41 C ATOM 830 CD1 TRP A 59 13.179 -2.870 20.463 1.00 1.14 C ATOM 831 CD2 TRP A 59 15.321 -3.300 20.955 1.00 64.43 C ATOM 832 NE1 TRP A 59 13.368 -2.597 21.797 1.00 72.51 N ATOM 833 CE2 TRP A 59 14.673 -2.854 22.123 1.00 22.31 C ATOM 834 CE3 TRP A 59 16.677 -3.633 21.022 1.00 70.11 C ATOM 835 CZ2 TRP A 59 15.336 -2.732 23.341 1.00 21.23 C ATOM 836 CZ3 TRP A 59 17.334 -3.511 22.232 1.00 54.04 C ATOM 837 CH2 TRP A 59 16.663 -3.065 23.378 1.00 1.42 C ATOM 0 H TRP A 59 13.862 -6.182 20.005 1.00 73.21 H new ATOM 0 HA TRP A 59 13.843 -5.299 17.237 1.00 31.30 H new ATOM 0 HB2 TRP A 59 15.595 -3.464 18.195 1.00 11.33 H new ATOM 0 HB3 TRP A 59 13.917 -3.109 17.836 1.00 11.33 H new ATOM 0 HD1 TRP A 59 12.244 -2.759 19.934 1.00 1.14 H new ATOM 0 HE1 TRP A 59 12.652 -2.258 22.440 1.00 72.51 H new ATOM 0 HE3 TRP A 59 17.202 -3.979 20.144 1.00 70.11 H new ATOM 0 HZ2 TRP A 59 14.821 -2.387 24.226 1.00 21.23 H new ATOM 0 HZ3 TRP A 59 18.382 -3.764 22.295 1.00 54.04 H new ATOM 0 HH2 TRP A 59 17.204 -2.982 24.309 1.00 1.42 H new ATOM 848 N ASP A 60 16.302 -5.955 17.064 1.00 31.01 N ATOM 849 CA ASP A 60 17.577 -6.649 16.928 1.00 5.23 C ATOM 850 C ASP A 60 18.718 -5.655 16.730 1.00 20.32 C ATOM 851 O ASP A 60 19.770 -5.770 17.360 1.00 43.41 O ATOM 852 CB ASP A 60 17.527 -7.628 15.754 1.00 4.50 C ATOM 853 CG ASP A 60 16.688 -8.853 16.057 1.00 55.20 C ATOM 854 OD1 ASP A 60 15.998 -8.857 17.098 1.00 31.24 O ATOM 855 OD2 ASP A 60 16.719 -9.807 15.252 1.00 1.13 O ATOM 0 H ASP A 60 15.985 -5.485 16.216 1.00 31.01 H new ATOM 0 HA ASP A 60 17.759 -7.206 17.847 1.00 5.23 H new ATOM 0 HB2 ASP A 60 17.121 -7.121 14.879 1.00 4.50 H new ATOM 0 HB3 ASP A 60 18.541 -7.939 15.501 1.00 4.50 H new ATOM 860 N CYS A 61 18.502 -4.683 15.852 1.00 44.43 N ATOM 861 CA CYS A 61 19.513 -3.670 15.569 1.00 43.30 C ATOM 862 C CYS A 61 18.974 -2.271 15.850 1.00 44.35 C ATOM 863 O CYS A 61 17.951 -1.867 15.298 1.00 54.00 O ATOM 864 CB CYS A 61 19.973 -3.770 14.114 1.00 73.13 C ATOM 865 SG CYS A 61 20.486 -5.430 13.615 1.00 71.55 S ATOM 0 H CYS A 61 17.636 -4.574 15.324 1.00 44.43 H new ATOM 0 HA CYS A 61 20.365 -3.850 16.224 1.00 43.30 H new ATOM 0 HB2 CYS A 61 19.162 -3.441 13.464 1.00 73.13 H new ATOM 0 HB3 CYS A 61 20.804 -3.082 13.959 1.00 73.13 H new ATOM 0 HG CYS A 61 20.855 -5.414 12.369 1.00 71.55 H new ATOM 871 N ARG A 62 19.670 -1.536 16.712 1.00 71.33 N ATOM 872 CA ARG A 62 19.260 -0.183 17.068 1.00 74.51 C ATOM 873 C ARG A 62 20.285 0.470 17.990 1.00 54.40 C ATOM 874 O ARG A 62 20.669 -0.081 19.022 1.00 52.23 O ATOM 875 CB ARG A 62 17.889 -0.205 17.746 1.00 35.40 C ATOM 876 CG ARG A 62 17.229 1.162 17.831 1.00 22.51 C ATOM 877 CD ARG A 62 15.829 1.069 18.416 1.00 74.00 C ATOM 878 NE ARG A 62 15.835 0.509 19.765 1.00 54.22 N ATOM 879 CZ ARG A 62 14.898 0.766 20.671 1.00 4.34 C ATOM 880 NH1 ARG A 62 13.886 1.570 20.375 1.00 64.14 N ATOM 881 NH2 ARG A 62 14.973 0.219 21.878 1.00 61.22 N ATOM 0 H ARG A 62 20.520 -1.855 17.176 1.00 71.33 H new ATOM 0 HA ARG A 62 19.195 0.404 16.152 1.00 74.51 H new ATOM 0 HB2 ARG A 62 17.233 -0.882 17.199 1.00 35.40 H new ATOM 0 HB3 ARG A 62 17.997 -0.610 18.752 1.00 35.40 H new ATOM 0 HG2 ARG A 62 17.838 1.824 18.446 1.00 22.51 H new ATOM 0 HG3 ARG A 62 17.180 1.606 16.837 1.00 22.51 H new ATOM 0 HD2 ARG A 62 15.379 2.061 18.438 1.00 74.00 H new ATOM 0 HD3 ARG A 62 15.206 0.450 17.770 1.00 74.00 H new ATOM 0 HE ARG A 62 16.600 -0.113 20.026 1.00 54.22 H new ATOM 0 HH11 ARG A 62 13.825 1.993 19.449 1.00 64.14 H new ATOM 0 HH12 ARG A 62 13.168 1.765 21.073 1.00 64.14 H new ATOM 0 HH21 ARG A 62 15.750 -0.399 22.110 1.00 61.22 H new ATOM 0 HH22 ARG A 62 14.253 0.417 22.573 1.00 61.22 H new ATOM 895 N PRO A 63 20.739 1.674 17.611 1.00 63.03 N ATOM 896 CA PRO A 63 21.725 2.429 18.389 1.00 25.03 C ATOM 897 C PRO A 63 21.151 2.951 19.702 1.00 23.20 C ATOM 898 O PRO A 63 21.863 3.554 20.506 1.00 53.34 O ATOM 899 CB PRO A 63 22.091 3.593 17.465 1.00 11.32 C ATOM 900 CG PRO A 63 20.901 3.766 16.585 1.00 4.22 C ATOM 901 CD PRO A 63 20.325 2.391 16.393 1.00 61.31 C ATOM 0 HA PRO A 63 22.576 1.812 18.677 1.00 25.03 H new ATOM 0 HB2 PRO A 63 22.298 4.500 18.033 1.00 11.32 H new ATOM 0 HB3 PRO A 63 22.985 3.370 16.883 1.00 11.32 H new ATOM 0 HG2 PRO A 63 20.171 4.434 17.042 1.00 4.22 H new ATOM 0 HG3 PRO A 63 21.183 4.208 15.629 1.00 4.22 H new ATOM 0 HD2 PRO A 63 19.240 2.420 16.293 1.00 61.31 H new ATOM 0 HD3 PRO A 63 20.715 1.914 15.494 1.00 61.31 H new ATOM 982 N ASN A 68 16.349 10.622 13.277 1.00 21.44 N ATOM 983 CA ASN A 68 17.255 10.029 12.300 1.00 73.10 C ATOM 984 C ASN A 68 18.668 9.919 12.864 1.00 32.35 C ATOM 985 O ASN A 68 18.883 10.090 14.064 1.00 61.35 O ATOM 986 CB ASN A 68 17.270 10.862 11.017 1.00 73.13 C ATOM 987 CG ASN A 68 18.004 12.178 11.190 1.00 72.51 C ATOM 988 OD1 ASN A 68 19.190 12.285 10.877 1.00 55.44 O ATOM 989 ND2 ASN A 68 17.300 13.186 11.692 1.00 63.15 N ATOM 0 HA ASN A 68 16.896 9.026 12.071 1.00 73.10 H new ATOM 0 HB2 ASN A 68 17.742 10.288 10.220 1.00 73.13 H new ATOM 0 HB3 ASN A 68 16.245 11.059 10.703 1.00 73.13 H new ATOM 0 HD21 ASN A 68 17.740 14.095 11.832 1.00 63.15 H new ATOM 0 HD22 ASN A 68 16.319 13.051 11.937 1.00 63.15 H new ATOM 996 N ASN A 69 19.628 9.632 11.991 1.00 54.43 N ATOM 997 CA ASN A 69 21.021 9.499 12.402 1.00 55.43 C ATOM 998 C ASN A 69 21.184 8.368 13.412 1.00 11.12 C ATOM 999 O ASN A 69 22.129 8.359 14.200 1.00 32.13 O ATOM 1000 CB ASN A 69 21.524 10.813 13.004 1.00 71.31 C ATOM 1001 CG ASN A 69 23.010 11.018 12.782 1.00 0.33 C ATOM 1002 OD1 ASN A 69 23.519 10.813 11.680 1.00 32.12 O ATOM 1003 ND2 ASN A 69 23.714 11.426 13.832 1.00 32.31 N ATOM 0 H ASN A 69 19.467 9.487 10.994 1.00 54.43 H new ATOM 0 HA ASN A 69 21.614 9.261 11.519 1.00 55.43 H new ATOM 0 HB2 ASN A 69 20.975 11.645 12.563 1.00 71.31 H new ATOM 0 HB3 ASN A 69 21.314 10.824 14.074 1.00 71.31 H new ATOM 0 HD21 ASN A 69 24.718 11.582 13.743 1.00 32.31 H new ATOM 0 HD22 ASN A 69 23.250 11.583 14.727 1.00 32.31 H new ATOM 1010 N GLU A 70 20.257 7.416 13.382 1.00 74.15 N ATOM 1011 CA GLU A 70 20.298 6.280 14.295 1.00 4.21 C ATOM 1012 C GLU A 70 20.170 4.964 13.533 1.00 0.23 C ATOM 1013 O GLU A 70 19.066 4.466 13.316 1.00 73.23 O ATOM 1014 CB GLU A 70 19.181 6.392 15.334 1.00 31.23 C ATOM 1015 CG GLU A 70 19.434 7.456 16.389 1.00 63.02 C ATOM 1016 CD GLU A 70 20.818 7.353 17.001 1.00 73.20 C ATOM 1017 OE1 GLU A 70 21.061 6.388 17.755 1.00 25.34 O ATOM 1018 OE2 GLU A 70 21.656 8.236 16.726 1.00 1.43 O ATOM 0 H GLU A 70 19.468 7.409 12.735 1.00 74.15 H new ATOM 0 HA GLU A 70 21.261 6.291 14.805 1.00 4.21 H new ATOM 0 HB2 GLU A 70 18.243 6.614 14.824 1.00 31.23 H new ATOM 0 HB3 GLU A 70 19.056 5.427 15.826 1.00 31.23 H new ATOM 0 HG2 GLU A 70 19.311 8.442 15.942 1.00 63.02 H new ATOM 0 HG3 GLU A 70 18.685 7.367 17.176 1.00 63.02 H new ATOM 1025 N SER A 71 21.308 4.407 13.130 1.00 14.13 N ATOM 1026 CA SER A 71 21.323 3.152 12.389 1.00 62.51 C ATOM 1027 C SER A 71 22.359 2.192 12.967 1.00 11.02 C ATOM 1028 O SER A 71 23.172 2.573 13.810 1.00 43.53 O ATOM 1029 CB SER A 71 21.621 3.411 10.911 1.00 41.11 C ATOM 1030 OG SER A 71 20.925 4.553 10.443 1.00 14.23 O ATOM 0 H SER A 71 22.231 4.805 13.304 1.00 14.13 H new ATOM 0 HA SER A 71 20.338 2.694 12.479 1.00 62.51 H new ATOM 0 HB2 SER A 71 22.693 3.552 10.772 1.00 41.11 H new ATOM 0 HB3 SER A 71 21.335 2.540 10.321 1.00 41.11 H new ATOM 0 HG SER A 71 21.211 5.341 10.951 1.00 14.23 H new ATOM 1036 N CYS A 72 22.322 0.946 12.509 1.00 61.20 N ATOM 1037 CA CYS A 72 23.257 -0.070 12.981 1.00 74.14 C ATOM 1038 C CYS A 72 24.079 -0.631 11.825 1.00 52.11 C ATOM 1039 O CYS A 72 23.649 -0.601 10.672 1.00 75.20 O ATOM 1040 CB CYS A 72 22.502 -1.201 13.681 1.00 10.35 C ATOM 1041 SG CYS A 72 23.217 -1.693 15.268 1.00 54.22 S ATOM 0 H CYS A 72 21.655 0.615 11.812 1.00 61.20 H new ATOM 0 HA CYS A 72 23.937 0.399 13.693 1.00 74.14 H new ATOM 0 HB2 CYS A 72 21.469 -0.890 13.840 1.00 10.35 H new ATOM 0 HB3 CYS A 72 22.476 -2.069 13.022 1.00 10.35 H new ATOM 0 HG CYS A 72 22.509 -2.653 15.784 1.00 54.22 H new ATOM 1047 N SER A 73 25.265 -1.140 12.142 1.00 71.42 N ATOM 1048 CA SER A 73 26.150 -1.703 11.129 1.00 24.11 C ATOM 1049 C SER A 73 26.605 -3.105 11.524 1.00 42.14 C ATOM 1050 O SER A 73 27.389 -3.276 12.457 1.00 23.12 O ATOM 1051 CB SER A 73 27.367 -0.798 10.926 1.00 61.35 C ATOM 1052 OG SER A 73 28.054 -0.585 12.147 1.00 50.15 O ATOM 0 H SER A 73 25.635 -1.174 13.092 1.00 71.42 H new ATOM 0 HA SER A 73 25.595 -1.770 10.193 1.00 24.11 H new ATOM 0 HB2 SER A 73 28.042 -1.249 10.199 1.00 61.35 H new ATOM 0 HB3 SER A 73 27.048 0.159 10.513 1.00 61.35 H new ATOM 0 HG SER A 73 28.049 -1.411 12.674 1.00 50.15 H new ATOM 1058 N VAL A 74 26.107 -4.106 10.805 1.00 31.10 N ATOM 1059 CA VAL A 74 26.462 -5.494 11.078 1.00 53.31 C ATOM 1060 C VAL A 74 26.409 -6.335 9.807 1.00 14.44 C ATOM 1061 O VAL A 74 25.667 -6.024 8.876 1.00 53.24 O ATOM 1062 CB VAL A 74 25.526 -6.116 12.131 1.00 11.55 C ATOM 1063 CG1 VAL A 74 26.014 -7.500 12.529 1.00 64.11 C ATOM 1064 CG2 VAL A 74 25.418 -5.209 13.349 1.00 60.53 C ATOM 0 H VAL A 74 25.457 -3.982 10.029 1.00 31.10 H new ATOM 0 HA VAL A 74 27.481 -5.490 11.465 1.00 53.31 H new ATOM 0 HB VAL A 74 24.533 -6.220 11.693 1.00 11.55 H new ATOM 0 HG11 VAL A 74 25.340 -7.923 13.274 1.00 64.11 H new ATOM 0 HG12 VAL A 74 26.035 -8.145 11.650 1.00 64.11 H new ATOM 0 HG13 VAL A 74 27.017 -7.425 12.949 1.00 64.11 H new ATOM 0 HG21 VAL A 74 24.753 -5.663 14.083 1.00 60.53 H new ATOM 0 HG22 VAL A 74 26.406 -5.072 13.790 1.00 60.53 H new ATOM 0 HG23 VAL A 74 25.018 -4.241 13.047 1.00 60.53 H new ATOM 1074 N SER A 75 27.200 -7.402 9.777 1.00 3.21 N ATOM 1075 CA SER A 75 27.246 -8.287 8.619 1.00 3.11 C ATOM 1076 C SER A 75 26.008 -9.177 8.566 1.00 2.11 C ATOM 1077 O SER A 75 25.882 -10.129 9.335 1.00 73.30 O ATOM 1078 CB SER A 75 28.508 -9.151 8.661 1.00 61.01 C ATOM 1079 OG SER A 75 28.307 -10.381 7.986 1.00 14.30 O ATOM 0 H SER A 75 27.818 -7.675 10.541 1.00 3.21 H new ATOM 0 HA SER A 75 27.267 -7.669 7.721 1.00 3.11 H new ATOM 0 HB2 SER A 75 29.337 -8.612 8.202 1.00 61.01 H new ATOM 0 HB3 SER A 75 28.787 -9.343 9.697 1.00 61.01 H new ATOM 0 HG SER A 75 29.128 -10.914 8.026 1.00 14.30 H new ATOM 1085 N ALA A 76 25.097 -8.859 7.652 1.00 1.55 N ATOM 1086 CA ALA A 76 23.870 -9.629 7.497 1.00 72.23 C ATOM 1087 C ALA A 76 24.108 -10.875 6.650 1.00 33.24 C ATOM 1088 O ALA A 76 24.813 -10.827 5.643 1.00 73.41 O ATOM 1089 CB ALA A 76 22.780 -8.767 6.876 1.00 65.22 C ATOM 0 H ALA A 76 25.186 -8.073 7.008 1.00 1.55 H new ATOM 0 HA ALA A 76 23.544 -9.950 8.486 1.00 72.23 H new ATOM 0 HB1 ALA A 76 21.869 -9.355 6.766 1.00 65.22 H new ATOM 0 HB2 ALA A 76 22.583 -7.910 7.520 1.00 65.22 H new ATOM 0 HB3 ALA A 76 23.106 -8.417 5.897 1.00 65.22 H new ATOM 1095 N ALA A 77 23.516 -11.990 7.067 1.00 55.31 N ATOM 1096 CA ALA A 77 23.662 -13.248 6.346 1.00 24.10 C ATOM 1097 C ALA A 77 22.402 -13.576 5.552 1.00 25.10 C ATOM 1098 O ALA A 77 21.284 -13.263 5.959 1.00 13.15 O ATOM 1099 CB ALA A 77 23.987 -14.376 7.314 1.00 21.11 C ATOM 0 H ALA A 77 22.931 -12.047 7.901 1.00 55.31 H new ATOM 0 HA ALA A 77 24.486 -13.140 5.641 1.00 24.10 H new ATOM 0 HB1 ALA A 77 24.093 -15.310 6.762 1.00 21.11 H new ATOM 0 HB2 ALA A 77 24.919 -14.153 7.833 1.00 21.11 H new ATOM 0 HB3 ALA A 77 23.181 -14.474 8.042 1.00 21.11 H new ATOM 1105 N PRO A 78 22.585 -14.221 4.390 1.00 24.44 N ATOM 1106 CA PRO A 78 21.474 -14.606 3.515 1.00 42.42 C ATOM 1107 C PRO A 78 20.624 -15.721 4.113 1.00 13.21 C ATOM 1108 O PRO A 78 21.037 -16.391 5.058 1.00 21.22 O ATOM 1109 CB PRO A 78 22.176 -15.091 2.244 1.00 73.21 C ATOM 1110 CG PRO A 78 23.524 -15.532 2.700 1.00 34.11 C ATOM 1111 CD PRO A 78 23.891 -14.626 3.843 1.00 70.04 C ATOM 0 HA PRO A 78 20.782 -13.781 3.348 1.00 42.42 H new ATOM 0 HB2 PRO A 78 21.629 -15.910 1.777 1.00 73.21 H new ATOM 0 HB3 PRO A 78 22.250 -14.294 1.504 1.00 73.21 H new ATOM 0 HG2 PRO A 78 23.507 -16.574 3.018 1.00 34.11 H new ATOM 0 HG3 PRO A 78 24.253 -15.457 1.893 1.00 34.11 H new ATOM 0 HD2 PRO A 78 24.496 -15.143 4.588 1.00 70.04 H new ATOM 0 HD3 PRO A 78 24.469 -13.766 3.505 1.00 70.04 H new ATOM 1119 N GLY A 79 19.432 -15.914 3.555 1.00 22.45 N ATOM 1120 CA GLY A 79 18.542 -16.950 4.047 1.00 25.12 C ATOM 1121 C GLY A 79 17.586 -16.438 5.106 1.00 71.13 C ATOM 1122 O GLY A 79 16.538 -17.038 5.350 1.00 4.11 O ATOM 0 H GLY A 79 19.067 -15.372 2.772 1.00 22.45 H new ATOM 0 HA2 GLY A 79 17.971 -17.360 3.214 1.00 25.12 H new ATOM 0 HA3 GLY A 79 19.134 -17.767 4.460 1.00 25.12 H new ATOM 1126 N THR A 80 17.946 -15.326 5.738 1.00 11.45 N ATOM 1127 CA THR A 80 17.114 -14.735 6.779 1.00 53.53 C ATOM 1128 C THR A 80 16.466 -13.441 6.296 1.00 24.43 C ATOM 1129 O THR A 80 17.153 -12.514 5.865 1.00 15.14 O ATOM 1130 CB THR A 80 17.929 -14.443 8.053 1.00 42.05 C ATOM 1131 OG1 THR A 80 18.669 -15.607 8.437 1.00 5.23 O ATOM 1132 CG2 THR A 80 17.017 -14.016 9.193 1.00 44.32 C ATOM 0 H THR A 80 18.809 -14.816 5.547 1.00 11.45 H new ATOM 0 HA THR A 80 16.337 -15.463 7.013 1.00 53.53 H new ATOM 0 HB THR A 80 18.620 -13.628 7.838 1.00 42.05 H new ATOM 0 HG1 THR A 80 19.186 -15.414 9.247 1.00 5.23 H new ATOM 0 HG21 THR A 80 17.615 -13.815 10.082 1.00 44.32 H new ATOM 0 HG22 THR A 80 16.476 -13.113 8.908 1.00 44.32 H new ATOM 0 HG23 THR A 80 16.305 -14.813 9.407 1.00 44.32 H new ATOM 1140 N THR A 81 15.140 -13.385 6.372 1.00 43.32 N ATOM 1141 CA THR A 81 14.400 -12.205 5.942 1.00 20.04 C ATOM 1142 C THR A 81 14.574 -11.057 6.930 1.00 44.11 C ATOM 1143 O THR A 81 14.471 -11.247 8.142 1.00 14.40 O ATOM 1144 CB THR A 81 12.898 -12.510 5.787 1.00 2.11 C ATOM 1145 OG1 THR A 81 12.717 -13.686 4.990 1.00 12.41 O ATOM 1146 CG2 THR A 81 12.172 -11.338 5.144 1.00 32.11 C ATOM 0 H THR A 81 14.557 -14.143 6.727 1.00 43.32 H new ATOM 0 HA THR A 81 14.806 -11.912 4.974 1.00 20.04 H new ATOM 0 HB THR A 81 12.479 -12.676 6.779 1.00 2.11 H new ATOM 0 HG1 THR A 81 11.760 -13.874 4.897 1.00 12.41 H new ATOM 0 HG21 THR A 81 11.113 -11.576 5.045 1.00 32.11 H new ATOM 0 HG22 THR A 81 12.288 -10.452 5.768 1.00 32.11 H new ATOM 0 HG23 THR A 81 12.594 -11.145 4.158 1.00 32.11 H new ATOM 1154 N TYR A 82 14.839 -9.866 6.404 1.00 22.05 N ATOM 1155 CA TYR A 82 15.030 -8.687 7.241 1.00 53.13 C ATOM 1156 C TYR A 82 13.854 -7.725 7.102 1.00 50.44 C ATOM 1157 O TYR A 82 13.368 -7.475 5.998 1.00 42.41 O ATOM 1158 CB TYR A 82 16.332 -7.976 6.868 1.00 73.14 C ATOM 1159 CG TYR A 82 17.571 -8.791 7.160 1.00 45.15 C ATOM 1160 CD1 TYR A 82 17.869 -9.199 8.454 1.00 61.41 C ATOM 1161 CD2 TYR A 82 18.446 -9.151 6.142 1.00 73.43 C ATOM 1162 CE1 TYR A 82 19.001 -9.943 8.726 1.00 60.33 C ATOM 1163 CE2 TYR A 82 19.579 -9.896 6.404 1.00 60.40 C ATOM 1164 CZ TYR A 82 19.852 -10.290 7.697 1.00 5.34 C ATOM 1165 OH TYR A 82 20.981 -11.031 7.963 1.00 2.30 O ATOM 0 H TYR A 82 14.926 -9.692 5.403 1.00 22.05 H new ATOM 0 HA TYR A 82 15.088 -9.015 8.279 1.00 53.13 H new ATOM 0 HB2 TYR A 82 16.311 -7.730 5.806 1.00 73.14 H new ATOM 0 HB3 TYR A 82 16.390 -7.033 7.412 1.00 73.14 H new ATOM 0 HD1 TYR A 82 17.204 -8.930 9.262 1.00 61.41 H new ATOM 0 HD2 TYR A 82 18.236 -8.843 5.128 1.00 73.43 H new ATOM 0 HE1 TYR A 82 19.218 -10.251 9.738 1.00 60.33 H new ATOM 0 HE2 TYR A 82 20.247 -10.168 5.601 1.00 60.40 H new ATOM 0 HH TYR A 82 21.020 -11.798 7.354 1.00 2.30 H new ATOM 1175 N HIS A 83 13.401 -7.187 8.230 1.00 43.22 N ATOM 1176 CA HIS A 83 12.283 -6.250 8.235 1.00 20.34 C ATOM 1177 C HIS A 83 12.715 -4.892 8.780 1.00 35.13 C ATOM 1178 O HIS A 83 13.474 -4.812 9.746 1.00 51.10 O ATOM 1179 CB HIS A 83 11.130 -6.805 9.072 1.00 73.33 C ATOM 1180 CG HIS A 83 10.420 -7.955 8.425 1.00 53.41 C ATOM 1181 ND1 HIS A 83 9.150 -8.068 7.969 1.00 4.25 N flip ATOM 1182 CD2 HIS A 83 11.021 -9.172 8.184 1.00 2.52 C flip ATOM 1183 CE1 HIS A 83 9.010 -9.337 7.466 1.00 22.13 C flip ATOM 1184 NE2 HIS A 83 10.153 -9.983 7.607 1.00 73.42 N flip ATOM 0 H HIS A 83 13.791 -7.384 9.152 1.00 43.22 H new ATOM 0 HA HIS A 83 11.946 -6.119 7.207 1.00 20.34 H new ATOM 0 HB2 HIS A 83 11.516 -7.125 10.040 1.00 73.33 H new ATOM 0 HB3 HIS A 83 10.413 -6.007 9.263 1.00 73.33 H new ATOM 0 HD2 HIS A 83 12.042 -9.423 8.429 1.00 2.52 H new ATOM 0 HE1 HIS A 83 8.111 -9.742 7.026 1.00 22.13 H new ATOM 0 HE2 HIS A 83 10.335 -10.945 7.319 1.00 73.42 H new ATOM 1192 N VAL A 84 12.226 -3.826 8.154 1.00 32.22 N ATOM 1193 CA VAL A 84 12.561 -2.471 8.576 1.00 35.34 C ATOM 1194 C VAL A 84 11.324 -1.728 9.068 1.00 11.33 C ATOM 1195 O VAL A 84 10.314 -1.651 8.369 1.00 44.02 O ATOM 1196 CB VAL A 84 13.206 -1.670 7.431 1.00 42.25 C ATOM 1197 CG1 VAL A 84 13.791 -0.367 7.954 1.00 50.34 C ATOM 1198 CG2 VAL A 84 14.273 -2.501 6.735 1.00 62.24 C ATOM 0 H VAL A 84 11.597 -3.875 7.353 1.00 32.22 H new ATOM 0 HA VAL A 84 13.276 -2.561 9.393 1.00 35.34 H new ATOM 0 HB VAL A 84 12.434 -1.427 6.701 1.00 42.25 H new ATOM 0 HG11 VAL A 84 14.243 0.186 7.130 1.00 50.34 H new ATOM 0 HG12 VAL A 84 12.999 0.233 8.403 1.00 50.34 H new ATOM 0 HG13 VAL A 84 14.551 -0.585 8.705 1.00 50.34 H new ATOM 0 HG21 VAL A 84 14.719 -1.919 5.928 1.00 62.24 H new ATOM 0 HG22 VAL A 84 15.045 -2.777 7.453 1.00 62.24 H new ATOM 0 HG23 VAL A 84 13.821 -3.404 6.324 1.00 62.24 H new ATOM 1208 N MET A 85 11.411 -1.181 10.276 1.00 13.34 N ATOM 1209 CA MET A 85 10.298 -0.441 10.862 1.00 45.14 C ATOM 1210 C MET A 85 10.726 0.973 11.241 1.00 51.41 C ATOM 1211 O MET A 85 11.732 1.165 11.924 1.00 1.13 O ATOM 1212 CB MET A 85 9.764 -1.173 12.094 1.00 12.52 C ATOM 1213 CG MET A 85 8.593 -0.467 12.759 1.00 2.04 C ATOM 1214 SD MET A 85 7.073 -0.584 11.796 1.00 23.23 S ATOM 1215 CE MET A 85 6.421 1.073 11.990 1.00 31.53 C ATOM 0 H MET A 85 12.240 -1.236 10.868 1.00 13.34 H new ATOM 0 HA MET A 85 9.505 -0.374 10.117 1.00 45.14 H new ATOM 0 HB2 MET A 85 9.455 -2.178 11.805 1.00 12.52 H new ATOM 0 HB3 MET A 85 10.570 -1.284 12.819 1.00 12.52 H new ATOM 0 HG2 MET A 85 8.427 -0.898 13.746 1.00 2.04 H new ATOM 0 HG3 MET A 85 8.844 0.583 12.908 1.00 2.04 H new ATOM 0 HE1 MET A 85 5.435 1.024 12.451 1.00 31.53 H new ATOM 0 HE2 MET A 85 7.090 1.655 12.624 1.00 31.53 H new ATOM 0 HE3 MET A 85 6.341 1.549 11.013 1.00 31.53 H new ATOM 1225 N ILE A 86 9.956 1.959 10.793 1.00 1.41 N ATOM 1226 CA ILE A 86 10.256 3.355 11.087 1.00 53.32 C ATOM 1227 C ILE A 86 9.182 3.972 11.977 1.00 4.32 C ATOM 1228 O ILE A 86 7.993 3.923 11.661 1.00 25.31 O ATOM 1229 CB ILE A 86 10.378 4.188 9.797 1.00 2.32 C ATOM 1230 CG1 ILE A 86 11.305 3.490 8.799 1.00 13.34 C ATOM 1231 CG2 ILE A 86 10.890 5.585 10.116 1.00 53.34 C ATOM 1232 CD1 ILE A 86 12.705 3.270 9.327 1.00 1.32 C ATOM 0 H ILE A 86 9.120 1.817 10.226 1.00 1.41 H new ATOM 0 HA ILE A 86 11.212 3.369 11.611 1.00 53.32 H new ATOM 0 HB ILE A 86 9.390 4.278 9.345 1.00 2.32 H new ATOM 0 HG12 ILE A 86 10.873 2.527 8.526 1.00 13.34 H new ATOM 0 HG13 ILE A 86 11.359 4.085 7.887 1.00 13.34 H new ATOM 0 HG21 ILE A 86 10.971 6.162 9.195 1.00 53.34 H new ATOM 0 HG22 ILE A 86 10.196 6.081 10.795 1.00 53.34 H new ATOM 0 HG23 ILE A 86 11.870 5.514 10.587 1.00 53.34 H new ATOM 0 HD11 ILE A 86 13.306 2.771 8.567 1.00 1.32 H new ATOM 0 HD12 ILE A 86 13.156 4.231 9.573 1.00 1.32 H new ATOM 0 HD13 ILE A 86 12.663 2.649 10.222 1.00 1.32 H new ATOM 1244 N LYS A 87 9.610 4.556 13.092 1.00 73.31 N ATOM 1245 CA LYS A 87 8.687 5.186 14.028 1.00 11.32 C ATOM 1246 C LYS A 87 8.777 6.706 13.941 1.00 43.52 C ATOM 1247 O LYS A 87 9.847 7.261 13.694 1.00 4.13 O ATOM 1248 CB LYS A 87 8.986 4.728 15.457 1.00 11.35 C ATOM 1249 CG LYS A 87 7.752 4.285 16.225 1.00 42.03 C ATOM 1250 CD LYS A 87 7.019 5.469 16.833 1.00 32.52 C ATOM 1251 CE LYS A 87 5.554 5.488 16.423 1.00 64.33 C ATOM 1252 NZ LYS A 87 4.723 4.612 17.294 1.00 73.35 N ATOM 0 H LYS A 87 10.590 4.606 13.369 1.00 73.31 H new ATOM 0 HA LYS A 87 7.675 4.884 13.760 1.00 11.32 H new ATOM 0 HB2 LYS A 87 9.698 3.904 15.424 1.00 11.35 H new ATOM 0 HB3 LYS A 87 9.467 5.543 15.998 1.00 11.35 H new ATOM 0 HG2 LYS A 87 7.081 3.745 15.557 1.00 42.03 H new ATOM 0 HG3 LYS A 87 8.043 3.592 17.014 1.00 42.03 H new ATOM 0 HD2 LYS A 87 7.093 5.425 17.920 1.00 32.52 H new ATOM 0 HD3 LYS A 87 7.498 6.396 16.518 1.00 32.52 H new ATOM 0 HE2 LYS A 87 5.177 6.510 16.470 1.00 64.33 H new ATOM 0 HE3 LYS A 87 5.463 5.162 15.387 1.00 64.33 H new ATOM 0 HZ1 LYS A 87 3.732 4.652 16.982 1.00 73.35 H new ATOM 0 HZ2 LYS A 87 5.066 3.632 17.230 1.00 73.35 H new ATOM 0 HZ3 LYS A 87 4.790 4.938 18.279 1.00 73.35 H new ATOM 1266 N GLY A 88 7.646 7.375 14.146 1.00 4.10 N ATOM 1267 CA GLY A 88 7.621 8.825 14.087 1.00 32.14 C ATOM 1268 C GLY A 88 7.256 9.453 15.418 1.00 24.42 C ATOM 1269 O GLY A 88 6.522 8.862 16.211 1.00 41.03 O ATOM 0 H GLY A 88 6.747 6.939 14.352 1.00 4.10 H new ATOM 0 HA2 GLY A 88 8.599 9.190 13.773 1.00 32.14 H new ATOM 0 HA3 GLY A 88 6.904 9.143 13.330 1.00 32.14 H new ATOM 1273 N TYR A 89 7.771 10.652 15.665 1.00 23.24 N ATOM 1274 CA TYR A 89 7.499 11.358 16.912 1.00 42.34 C ATOM 1275 C TYR A 89 6.586 12.557 16.670 1.00 23.54 C ATOM 1276 O TYR A 89 5.712 12.859 17.483 1.00 64.12 O ATOM 1277 CB TYR A 89 8.807 11.821 17.556 1.00 61.00 C ATOM 1278 CG TYR A 89 8.818 11.694 19.063 1.00 52.14 C ATOM 1279 CD1 TYR A 89 8.565 10.475 19.679 1.00 62.32 C ATOM 1280 CD2 TYR A 89 9.082 12.794 19.870 1.00 73.20 C ATOM 1281 CE1 TYR A 89 8.573 10.355 21.055 1.00 63.41 C ATOM 1282 CE2 TYR A 89 9.093 12.683 21.247 1.00 63.40 C ATOM 1283 CZ TYR A 89 8.838 11.461 21.835 1.00 40.24 C ATOM 1284 OH TYR A 89 8.848 11.345 23.206 1.00 44.32 O ATOM 0 H TYR A 89 8.379 11.155 15.019 1.00 23.24 H new ATOM 0 HA TYR A 89 6.993 10.669 17.588 1.00 42.34 H new ATOM 0 HB2 TYR A 89 9.631 11.238 17.145 1.00 61.00 H new ATOM 0 HB3 TYR A 89 8.987 12.862 17.286 1.00 61.00 H new ATOM 0 HD1 TYR A 89 8.358 9.606 19.072 1.00 62.32 H new ATOM 0 HD2 TYR A 89 9.282 13.752 19.413 1.00 73.20 H new ATOM 0 HE1 TYR A 89 8.373 9.400 21.518 1.00 63.41 H new ATOM 0 HE2 TYR A 89 9.300 13.548 21.860 1.00 63.40 H new ATOM 0 HH TYR A 89 9.052 12.216 23.606 1.00 44.32 H new ATOM 1294 N SER A 90 6.796 13.235 15.547 1.00 73.03 N ATOM 1295 CA SER A 90 5.995 14.402 15.198 1.00 14.51 C ATOM 1296 C SER A 90 6.114 14.719 13.710 1.00 4.04 C ATOM 1297 O SER A 90 7.203 14.666 13.139 1.00 34.22 O ATOM 1298 CB SER A 90 6.432 15.613 16.025 1.00 32.24 C ATOM 1299 OG SER A 90 7.844 15.721 16.064 1.00 42.25 O ATOM 0 H SER A 90 7.514 12.996 14.863 1.00 73.03 H new ATOM 0 HA SER A 90 4.952 14.175 15.421 1.00 14.51 H new ATOM 0 HB2 SER A 90 6.006 16.521 15.599 1.00 32.24 H new ATOM 0 HB3 SER A 90 6.043 15.524 17.039 1.00 32.24 H new ATOM 0 HG SER A 90 8.098 16.503 16.597 1.00 42.25 H new ATOM 1305 N ASN A 91 4.987 15.049 13.089 1.00 35.43 N ATOM 1306 CA ASN A 91 4.964 15.373 11.668 1.00 54.43 C ATOM 1307 C ASN A 91 6.274 16.026 11.238 1.00 61.44 C ATOM 1308 O ASN A 91 6.552 17.173 11.586 1.00 3.24 O ATOM 1309 CB ASN A 91 3.791 16.305 11.355 1.00 73.20 C ATOM 1310 CG ASN A 91 3.723 17.488 12.302 1.00 63.44 C ATOM 1311 OD1 ASN A 91 3.270 17.361 13.439 1.00 15.51 O ATOM 1312 ND2 ASN A 91 4.176 18.645 11.835 1.00 53.54 N ATOM 0 H ASN A 91 4.077 15.099 13.548 1.00 35.43 H new ATOM 0 HA ASN A 91 4.841 14.444 11.111 1.00 54.43 H new ATOM 0 HB2 ASN A 91 3.882 16.668 10.331 1.00 73.20 H new ATOM 0 HB3 ASN A 91 2.859 15.743 11.413 1.00 73.20 H new ATOM 0 HD21 ASN A 91 4.157 19.476 12.426 1.00 53.54 H new ATOM 0 HD22 ASN A 91 4.543 18.703 10.885 1.00 53.54 H new ATOM 1319 N TYR A 92 7.075 15.287 10.478 1.00 73.50 N ATOM 1320 CA TYR A 92 8.357 15.792 10.001 1.00 32.43 C ATOM 1321 C TYR A 92 9.001 14.810 9.027 1.00 30.02 C ATOM 1322 O TYR A 92 9.252 13.654 9.368 1.00 11.12 O ATOM 1323 CB TYR A 92 9.297 16.049 11.180 1.00 42.32 C ATOM 1324 CG TYR A 92 10.098 17.325 11.048 1.00 14.21 C ATOM 1325 CD1 TYR A 92 10.626 17.714 9.823 1.00 13.33 C ATOM 1326 CD2 TYR A 92 10.325 18.142 12.149 1.00 51.53 C ATOM 1327 CE1 TYR A 92 11.358 18.879 9.699 1.00 62.23 C ATOM 1328 CE2 TYR A 92 11.055 19.310 12.033 1.00 30.41 C ATOM 1329 CZ TYR A 92 11.570 19.673 10.806 1.00 11.23 C ATOM 1330 OH TYR A 92 12.298 20.835 10.686 1.00 32.30 O ATOM 0 H TYR A 92 6.859 14.336 10.179 1.00 73.50 H new ATOM 0 HA TYR A 92 8.177 16.730 9.476 1.00 32.43 H new ATOM 0 HB2 TYR A 92 8.711 16.091 12.098 1.00 42.32 H new ATOM 0 HB3 TYR A 92 9.983 15.208 11.277 1.00 42.32 H new ATOM 0 HD1 TYR A 92 10.461 17.095 8.953 1.00 13.33 H new ATOM 0 HD2 TYR A 92 9.924 17.860 13.111 1.00 51.53 H new ATOM 0 HE1 TYR A 92 11.762 19.166 8.740 1.00 62.23 H new ATOM 0 HE2 TYR A 92 11.221 19.935 12.898 1.00 30.41 H new ATOM 0 HH TYR A 92 12.354 21.278 11.558 1.00 32.30 H new ATOM 1340 N SER A 93 9.267 15.280 7.813 1.00 54.04 N ATOM 1341 CA SER A 93 9.879 14.444 6.786 1.00 12.15 C ATOM 1342 C SER A 93 11.191 15.053 6.302 1.00 63.41 C ATOM 1343 O SER A 93 11.503 16.204 6.603 1.00 64.11 O ATOM 1344 CB SER A 93 8.921 14.264 5.607 1.00 21.12 C ATOM 1345 OG SER A 93 8.474 15.516 5.117 1.00 11.24 O ATOM 0 H SER A 93 9.068 16.235 7.516 1.00 54.04 H new ATOM 0 HA SER A 93 10.091 13.469 7.224 1.00 12.15 H new ATOM 0 HB2 SER A 93 9.421 13.715 4.809 1.00 21.12 H new ATOM 0 HB3 SER A 93 8.065 13.665 5.918 1.00 21.12 H new ATOM 0 HG SER A 93 7.865 15.373 4.363 1.00 11.24 H new ATOM 1351 N GLY A 94 11.957 14.269 5.549 1.00 43.14 N ATOM 1352 CA GLY A 94 13.227 14.747 5.034 1.00 64.41 C ATOM 1353 C GLY A 94 14.394 13.890 5.483 1.00 21.43 C ATOM 1354 O GLY A 94 15.537 14.347 5.507 1.00 70.43 O ATOM 0 H GLY A 94 11.721 13.312 5.287 1.00 43.14 H new ATOM 0 HA2 GLY A 94 13.191 14.764 3.945 1.00 64.41 H new ATOM 0 HA3 GLY A 94 13.386 15.774 5.364 1.00 64.41 H new ATOM 1358 N VAL A 95 14.106 12.643 5.843 1.00 25.32 N ATOM 1359 CA VAL A 95 15.141 11.720 6.295 1.00 33.50 C ATOM 1360 C VAL A 95 15.324 10.573 5.307 1.00 50.23 C ATOM 1361 O VAL A 95 14.355 10.059 4.748 1.00 74.13 O ATOM 1362 CB VAL A 95 14.807 11.139 7.682 1.00 25.41 C ATOM 1363 CG1 VAL A 95 15.944 10.258 8.179 1.00 12.25 C ATOM 1364 CG2 VAL A 95 14.516 12.257 8.671 1.00 30.25 C ATOM 0 H VAL A 95 13.165 12.249 5.830 1.00 25.32 H new ATOM 0 HA VAL A 95 16.067 12.290 6.361 1.00 33.50 H new ATOM 0 HB VAL A 95 13.913 10.522 7.593 1.00 25.41 H new ATOM 0 HG11 VAL A 95 15.691 9.856 9.160 1.00 12.25 H new ATOM 0 HG12 VAL A 95 16.100 9.437 7.480 1.00 12.25 H new ATOM 0 HG13 VAL A 95 16.857 10.849 8.254 1.00 12.25 H new ATOM 0 HG21 VAL A 95 14.282 11.829 9.646 1.00 30.25 H new ATOM 0 HG22 VAL A 95 15.390 12.902 8.759 1.00 30.25 H new ATOM 0 HG23 VAL A 95 13.667 12.843 8.319 1.00 30.25 H new ATOM 1374 N THR A 96 16.575 10.176 5.095 1.00 31.32 N ATOM 1375 CA THR A 96 16.886 9.090 4.174 1.00 44.42 C ATOM 1376 C THR A 96 17.142 7.788 4.924 1.00 13.33 C ATOM 1377 O THR A 96 18.051 7.704 5.751 1.00 13.33 O ATOM 1378 CB THR A 96 18.118 9.422 3.311 1.00 44.32 C ATOM 1379 OG1 THR A 96 18.193 10.834 3.086 1.00 51.51 O ATOM 1380 CG2 THR A 96 18.057 8.694 1.977 1.00 71.32 C ATOM 0 H THR A 96 17.389 10.590 5.549 1.00 31.32 H new ATOM 0 HA THR A 96 16.018 8.968 3.526 1.00 44.42 H new ATOM 0 HB THR A 96 19.008 9.092 3.847 1.00 44.32 H new ATOM 0 HG1 THR A 96 18.536 11.276 3.891 1.00 51.51 H new ATOM 0 HG21 THR A 96 18.938 8.944 1.385 1.00 71.32 H new ATOM 0 HG22 THR A 96 18.030 7.618 2.150 1.00 71.32 H new ATOM 0 HG23 THR A 96 17.159 8.997 1.438 1.00 71.32 H new ATOM 1388 N LEU A 97 16.335 6.774 4.631 1.00 4.10 N ATOM 1389 CA LEU A 97 16.475 5.474 5.278 1.00 13.11 C ATOM 1390 C LEU A 97 17.079 4.452 4.321 1.00 22.43 C ATOM 1391 O LEU A 97 16.889 4.532 3.108 1.00 75.14 O ATOM 1392 CB LEU A 97 15.115 4.982 5.776 1.00 74.11 C ATOM 1393 CG LEU A 97 15.053 3.523 6.228 1.00 24.52 C ATOM 1394 CD1 LEU A 97 15.747 3.350 7.570 1.00 4.03 C ATOM 1395 CD2 LEU A 97 13.609 3.049 6.308 1.00 64.14 C ATOM 0 H LEU A 97 15.577 6.827 3.950 1.00 4.10 H new ATOM 0 HA LEU A 97 17.147 5.589 6.129 1.00 13.11 H new ATOM 0 HB2 LEU A 97 14.806 5.613 6.609 1.00 74.11 H new ATOM 0 HB3 LEU A 97 14.385 5.126 4.979 1.00 74.11 H new ATOM 0 HG LEU A 97 15.574 2.913 5.491 1.00 24.52 H new ATOM 0 HD11 LEU A 97 15.693 2.305 7.876 1.00 4.03 H new ATOM 0 HD12 LEU A 97 16.792 3.648 7.481 1.00 4.03 H new ATOM 0 HD13 LEU A 97 15.255 3.973 8.317 1.00 4.03 H new ATOM 0 HD21 LEU A 97 13.585 2.008 6.631 1.00 64.14 H new ATOM 0 HD22 LEU A 97 13.063 3.664 7.024 1.00 64.14 H new ATOM 0 HD23 LEU A 97 13.143 3.135 5.326 1.00 64.14 H new ATOM 1407 N LYS A 98 17.808 3.489 4.876 1.00 74.42 N ATOM 1408 CA LYS A 98 18.438 2.447 4.073 1.00 31.14 C ATOM 1409 C LYS A 98 18.711 1.203 4.914 1.00 41.54 C ATOM 1410 O LYS A 98 18.708 1.260 6.144 1.00 10.10 O ATOM 1411 CB LYS A 98 19.745 2.963 3.466 1.00 33.44 C ATOM 1412 CG LYS A 98 20.349 2.024 2.437 1.00 63.40 C ATOM 1413 CD LYS A 98 20.993 2.790 1.293 1.00 34.23 C ATOM 1414 CE LYS A 98 21.849 3.938 1.804 1.00 51.50 C ATOM 1415 NZ LYS A 98 23.079 4.120 0.985 1.00 24.31 N ATOM 0 H LYS A 98 17.977 3.409 5.879 1.00 74.42 H new ATOM 0 HA LYS A 98 17.753 2.177 3.269 1.00 31.14 H new ATOM 0 HB2 LYS A 98 19.562 3.931 2.999 1.00 33.44 H new ATOM 0 HB3 LYS A 98 20.468 3.126 4.265 1.00 33.44 H new ATOM 0 HG2 LYS A 98 21.094 1.389 2.916 1.00 63.40 H new ATOM 0 HG3 LYS A 98 19.574 1.366 2.045 1.00 63.40 H new ATOM 0 HD2 LYS A 98 21.607 2.112 0.700 1.00 34.23 H new ATOM 0 HD3 LYS A 98 20.218 3.178 0.632 1.00 34.23 H new ATOM 0 HE2 LYS A 98 21.266 4.859 1.793 1.00 51.50 H new ATOM 0 HE3 LYS A 98 22.128 3.750 2.841 1.00 51.50 H new ATOM 0 HZ1 LYS A 98 23.635 4.912 1.366 1.00 24.31 H new ATOM 0 HZ2 LYS A 98 23.648 3.250 1.016 1.00 24.31 H new ATOM 0 HZ3 LYS A 98 22.813 4.325 0.001 1.00 24.31 H new ATOM 1429 N LEU A 99 18.949 0.082 4.242 1.00 15.12 N ATOM 1430 CA LEU A 99 19.226 -1.176 4.927 1.00 14.33 C ATOM 1431 C LEU A 99 20.722 -1.347 5.167 1.00 1.14 C ATOM 1432 O LEU A 99 21.539 -1.013 4.310 1.00 24.30 O ATOM 1433 CB LEU A 99 18.691 -2.353 4.110 1.00 13.01 C ATOM 1434 CG LEU A 99 19.535 -3.628 4.138 1.00 54.33 C ATOM 1435 CD1 LEU A 99 18.654 -4.855 3.961 1.00 11.13 C ATOM 1436 CD2 LEU A 99 20.608 -3.580 3.060 1.00 21.12 C ATOM 0 H LEU A 99 18.956 0.018 3.224 1.00 15.12 H new ATOM 0 HA LEU A 99 18.722 -1.154 5.893 1.00 14.33 H new ATOM 0 HB2 LEU A 99 17.691 -2.595 4.470 1.00 13.01 H new ATOM 0 HB3 LEU A 99 18.587 -2.033 3.073 1.00 13.01 H new ATOM 0 HG LEU A 99 20.026 -3.695 5.109 1.00 54.33 H new ATOM 0 HD11 LEU A 99 19.272 -5.753 3.984 1.00 11.13 H new ATOM 0 HD12 LEU A 99 17.923 -4.897 4.768 1.00 11.13 H new ATOM 0 HD13 LEU A 99 18.135 -4.795 3.004 1.00 11.13 H new ATOM 0 HD21 LEU A 99 21.199 -4.495 3.094 1.00 21.12 H new ATOM 0 HD22 LEU A 99 20.137 -3.489 2.081 1.00 21.12 H new ATOM 0 HD23 LEU A 99 21.258 -2.722 3.231 1.00 21.12 H new ATOM 1448 N GLN A 100 21.072 -1.870 6.338 1.00 64.52 N ATOM 1449 CA GLN A 100 22.471 -2.087 6.689 1.00 32.32 C ATOM 1450 C GLN A 100 22.841 -3.561 6.565 1.00 62.54 C ATOM 1451 O GLN A 100 22.362 -4.399 7.329 1.00 74.11 O ATOM 1452 CB GLN A 100 22.742 -1.600 8.113 1.00 1.35 C ATOM 1453 CG GLN A 100 21.685 -2.033 9.117 1.00 65.24 C ATOM 1454 CD GLN A 100 20.520 -1.067 9.191 1.00 53.03 C ATOM 1455 OE1 GLN A 100 19.613 -1.304 10.132 1.00 64.04 O flip ATOM 1456 NE2 GLN A 100 20.434 -0.118 8.411 1.00 42.43 N flip ATOM 0 H GLN A 100 20.407 -2.151 7.059 1.00 64.52 H new ATOM 0 HA GLN A 100 23.087 -1.517 5.993 1.00 32.32 H new ATOM 0 HB2 GLN A 100 23.713 -1.974 8.437 1.00 1.35 H new ATOM 0 HB3 GLN A 100 22.804 -0.512 8.110 1.00 1.35 H new ATOM 0 HG2 GLN A 100 21.315 -3.022 8.846 1.00 65.24 H new ATOM 0 HG3 GLN A 100 22.141 -2.122 10.103 1.00 65.24 H new ATOM 0 HE21 GLN A 100 21.154 0.027 7.703 1.00 42.43 H new ATOM 0 HE22 GLN A 100 19.643 0.523 8.473 1.00 42.43 H new ATOM 1465 N TYR A 101 23.697 -3.871 5.597 1.00 74.52 N ATOM 1466 CA TYR A 101 24.129 -5.245 5.370 1.00 22.32 C ATOM 1467 C TYR A 101 25.622 -5.399 5.646 1.00 32.00 C ATOM 1468 O TYR A 101 26.044 -6.333 6.326 1.00 43.24 O ATOM 1469 CB TYR A 101 23.818 -5.670 3.934 1.00 43.20 C ATOM 1470 CG TYR A 101 24.592 -4.893 2.892 1.00 34.42 C ATOM 1471 CD1 TYR A 101 24.239 -3.590 2.564 1.00 33.33 C ATOM 1472 CD2 TYR A 101 25.676 -5.463 2.236 1.00 22.04 C ATOM 1473 CE1 TYR A 101 24.942 -2.878 1.613 1.00 40.34 C ATOM 1474 CE2 TYR A 101 26.386 -4.757 1.284 1.00 23.44 C ATOM 1475 CZ TYR A 101 26.015 -3.465 0.976 1.00 61.34 C ATOM 1476 OH TYR A 101 26.719 -2.758 0.028 1.00 22.30 O ATOM 0 H TYR A 101 24.105 -3.189 4.957 1.00 74.52 H new ATOM 0 HA TYR A 101 23.582 -5.889 6.058 1.00 22.32 H new ATOM 0 HB2 TYR A 101 24.039 -6.732 3.822 1.00 43.20 H new ATOM 0 HB3 TYR A 101 22.751 -5.545 3.750 1.00 43.20 H new ATOM 0 HD1 TYR A 101 23.400 -3.126 3.062 1.00 33.33 H new ATOM 0 HD2 TYR A 101 25.969 -6.475 2.474 1.00 22.04 H new ATOM 0 HE1 TYR A 101 24.653 -1.866 1.369 1.00 40.34 H new ATOM 0 HE2 TYR A 101 27.227 -5.214 0.784 1.00 23.44 H new ATOM 0 HH TYR A 101 27.445 -3.315 -0.324 1.00 22.30 H new