USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 946 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 36 HIS : no HD1:sc= 0.599 K(o=0.98,f=-1.8) USER MOD Set 1.2: A 87 TYR OH : rot 26:sc= 0.379 USER MOD Set 1.3: A 102 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 HIS : no HE2:sc= -0.123 X(o=-0.12,f=-0.16) USER MOD Set 3.1: A 26 TYR OH : rot 134:sc= 1.29 USER MOD Set 3.2: A 93 THR OG1 : rot 84:sc= 0.0503 USER MOD Set 4.1: A 9 GLN : amide:sc= -0.237 K(o=0.38,f=-0.27) USER MOD Set 4.2: A 11 HIS : no HE2:sc=-0.00963 K(o=0.38,f=-2.3) USER MOD Set 4.3: A 18 THR OG1 : rot 146:sc= 0.622 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0116 (180deg=0) USER MOD Single : A 2 MET CE :methyl -140:sc= 0 (180deg=-0.0341) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 0.559 (180deg=0.391) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -121:sc= 0.632 USER MOD Single : A 43 GLN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.0566 K(o=0.057,f=-4!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 51 GLN : amide:sc= -2.96 X(o=-3,f=-3.1) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.11) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 89 TYR OH : rot -52:sc= 0.937 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 94:sc= 1.27 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 121:sc= 0.986 USER MOD Single : A 118 SER OG : rot 16:sc= 0.0512 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.223 0.256 12.036 1.00 55.41 N ATOM 2 CA GLY A 1 20.555 -0.804 11.277 1.00 54.10 C ATOM 3 C GLY A 1 19.287 -0.265 10.637 1.00 74.34 C ATOM 4 O GLY A 1 18.525 0.456 11.283 1.00 72.21 O ATOM 0 H1 GLY A 1 21.521 -0.115 12.961 1.00 55.41 H new ATOM 0 H2 GLY A 1 22.057 0.587 11.510 1.00 55.41 H new ATOM 0 H3 GLY A 1 20.565 1.049 12.177 1.00 55.41 H new ATOM 0 HA2 GLY A 1 21.225 -1.189 10.508 1.00 54.10 H new ATOM 0 HA3 GLY A 1 20.313 -1.638 11.936 1.00 54.10 H new ATOM 8 N MET A 2 19.041 -0.643 9.382 1.00 21.43 N ATOM 9 CA MET A 2 17.804 -0.420 8.647 1.00 71.22 C ATOM 10 C MET A 2 17.445 -1.726 7.942 1.00 1.51 C ATOM 11 O MET A 2 18.267 -2.642 7.841 1.00 21.03 O ATOM 12 CB MET A 2 17.953 0.730 7.630 1.00 21.35 C ATOM 13 CG MET A 2 17.894 2.116 8.283 1.00 30.45 C ATOM 14 SD MET A 2 19.485 2.842 8.761 1.00 71.12 S ATOM 15 CE MET A 2 20.065 3.326 7.113 1.00 23.11 C ATOM 0 H MET A 2 19.738 -1.138 8.826 1.00 21.43 H new ATOM 0 HA MET A 2 17.011 -0.127 9.335 1.00 71.22 H new ATOM 0 HB2 MET A 2 18.901 0.622 7.104 1.00 21.35 H new ATOM 0 HB3 MET A 2 17.163 0.652 6.883 1.00 21.35 H new ATOM 0 HG2 MET A 2 17.399 2.799 7.593 1.00 30.45 H new ATOM 0 HG3 MET A 2 17.266 2.050 9.172 1.00 30.45 H new ATOM 0 HE1 MET A 2 21.132 3.121 7.028 1.00 23.11 H new ATOM 0 HE2 MET A 2 19.525 2.757 6.356 1.00 23.11 H new ATOM 0 HE3 MET A 2 19.887 4.391 6.963 1.00 23.11 H new ATOM 25 N ARG A 3 16.221 -1.807 7.435 1.00 51.54 N ATOM 26 CA ARG A 3 15.715 -2.893 6.613 1.00 65.11 C ATOM 27 C ARG A 3 15.700 -2.360 5.187 1.00 11.14 C ATOM 28 O ARG A 3 14.649 -2.092 4.625 1.00 53.40 O ATOM 29 CB ARG A 3 14.344 -3.337 7.171 1.00 22.12 C ATOM 30 CG ARG A 3 14.479 -4.106 8.502 1.00 53.32 C ATOM 31 CD ARG A 3 14.229 -5.598 8.288 1.00 13.23 C ATOM 32 NE ARG A 3 14.520 -6.401 9.481 1.00 33.21 N ATOM 33 CZ ARG A 3 15.457 -7.351 9.561 1.00 21.45 C ATOM 34 NH1 ARG A 3 16.408 -7.473 8.640 1.00 21.04 N ATOM 35 NH2 ARG A 3 15.436 -8.181 10.589 1.00 44.44 N ATOM 0 H ARG A 3 15.523 -1.081 7.595 1.00 51.54 H new ATOM 0 HA ARG A 3 16.326 -3.795 6.624 1.00 65.11 H new ATOM 0 HB2 ARG A 3 13.714 -2.461 7.322 1.00 22.12 H new ATOM 0 HB3 ARG A 3 13.842 -3.968 6.438 1.00 22.12 H new ATOM 0 HG2 ARG A 3 15.476 -3.954 8.916 1.00 53.32 H new ATOM 0 HG3 ARG A 3 13.768 -3.713 9.229 1.00 53.32 H new ATOM 0 HD2 ARG A 3 13.189 -5.749 7.999 1.00 13.23 H new ATOM 0 HD3 ARG A 3 14.845 -5.950 7.460 1.00 13.23 H new ATOM 0 HE ARG A 3 13.963 -6.220 10.316 1.00 33.21 H new ATOM 0 HH11 ARG A 3 16.435 -6.832 7.847 1.00 21.04 H new ATOM 0 HH12 ARG A 3 17.110 -8.207 8.726 1.00 21.04 H new ATOM 0 HH21 ARG A 3 14.714 -8.090 11.303 1.00 44.44 H new ATOM 0 HH22 ARG A 3 16.142 -8.913 10.668 1.00 44.44 H new ATOM 49 N ILE A 4 16.873 -2.133 4.602 1.00 14.21 N ATOM 50 CA ILE A 4 16.959 -1.720 3.205 1.00 62.02 C ATOM 51 C ILE A 4 16.669 -2.984 2.375 1.00 24.01 C ATOM 52 O ILE A 4 17.175 -4.059 2.716 1.00 3.53 O ATOM 53 CB ILE A 4 18.333 -1.097 2.874 1.00 71.34 C ATOM 54 CG1 ILE A 4 18.693 0.011 3.892 1.00 11.24 C ATOM 55 CG2 ILE A 4 18.304 -0.511 1.444 1.00 73.33 C ATOM 56 CD1 ILE A 4 20.096 0.584 3.700 1.00 73.11 C ATOM 0 H ILE A 4 17.773 -2.228 5.072 1.00 14.21 H new ATOM 0 HA ILE A 4 16.239 -0.934 2.976 1.00 62.02 H new ATOM 0 HB ILE A 4 19.093 -1.876 2.933 1.00 71.34 H new ATOM 0 HG12 ILE A 4 17.965 0.818 3.810 1.00 11.24 H new ATOM 0 HG13 ILE A 4 18.609 -0.393 4.901 1.00 11.24 H new ATOM 0 HG21 ILE A 4 19.274 -0.072 1.211 1.00 73.33 H new ATOM 0 HG22 ILE A 4 18.084 -1.305 0.730 1.00 73.33 H new ATOM 0 HG23 ILE A 4 17.533 0.257 1.381 1.00 73.33 H new ATOM 0 HD11 ILE A 4 20.280 1.355 4.448 1.00 73.11 H new ATOM 0 HD12 ILE A 4 20.832 -0.212 3.811 1.00 73.11 H new ATOM 0 HD13 ILE A 4 20.178 1.018 2.704 1.00 73.11 H new ATOM 68 N PRO A 5 15.851 -2.925 1.318 1.00 54.21 N ATOM 69 CA PRO A 5 15.643 -4.054 0.421 1.00 11.55 C ATOM 70 C PRO A 5 16.858 -4.317 -0.462 1.00 34.34 C ATOM 71 O PRO A 5 17.759 -3.486 -0.579 1.00 33.13 O ATOM 72 CB PRO A 5 14.399 -3.715 -0.401 1.00 43.43 C ATOM 73 CG PRO A 5 14.338 -2.194 -0.347 1.00 1.23 C ATOM 74 CD PRO A 5 14.995 -1.812 0.969 1.00 31.13 C ATOM 0 HA PRO A 5 15.502 -4.978 0.982 1.00 11.55 H new ATOM 0 HB2 PRO A 5 14.485 -4.077 -1.426 1.00 43.43 H new ATOM 0 HB3 PRO A 5 13.503 -4.168 0.023 1.00 43.43 H new ATOM 0 HG2 PRO A 5 14.863 -1.749 -1.192 1.00 1.23 H new ATOM 0 HG3 PRO A 5 13.308 -1.840 -0.390 1.00 1.23 H new ATOM 0 HD2 PRO A 5 15.571 -0.892 0.866 1.00 31.13 H new ATOM 0 HD3 PRO A 5 14.248 -1.635 1.743 1.00 31.13 H new ATOM 82 N SER A 6 16.854 -5.474 -1.120 1.00 10.12 N ATOM 83 CA SER A 6 17.785 -5.810 -2.184 1.00 54.41 C ATOM 84 C SER A 6 17.072 -6.379 -3.413 1.00 74.03 C ATOM 85 O SER A 6 17.728 -6.589 -4.432 1.00 65.43 O ATOM 86 CB SER A 6 18.852 -6.771 -1.646 1.00 42.41 C ATOM 87 OG SER A 6 19.715 -6.099 -0.753 1.00 42.21 O ATOM 0 H SER A 6 16.186 -6.218 -0.920 1.00 10.12 H new ATOM 0 HA SER A 6 18.275 -4.895 -2.518 1.00 54.41 H new ATOM 0 HB2 SER A 6 18.373 -7.608 -1.138 1.00 42.41 H new ATOM 0 HB3 SER A 6 19.427 -7.187 -2.474 1.00 42.41 H new ATOM 0 HG SER A 6 20.390 -6.725 -0.416 1.00 42.21 H new ATOM 93 N ALA A 7 15.756 -6.612 -3.363 1.00 54.50 N ATOM 94 CA ALA A 7 15.001 -7.178 -4.469 1.00 42.44 C ATOM 95 C ALA A 7 13.757 -6.340 -4.683 1.00 24.25 C ATOM 96 O ALA A 7 12.654 -6.779 -4.363 1.00 50.12 O ATOM 97 CB ALA A 7 14.686 -8.659 -4.196 1.00 54.12 C ATOM 0 H ALA A 7 15.186 -6.408 -2.542 1.00 54.50 H new ATOM 0 HA ALA A 7 15.586 -7.155 -5.389 1.00 42.44 H new ATOM 0 HB1 ALA A 7 14.120 -9.071 -5.032 1.00 54.12 H new ATOM 0 HB2 ALA A 7 15.617 -9.214 -4.080 1.00 54.12 H new ATOM 0 HB3 ALA A 7 14.097 -8.743 -3.283 1.00 54.12 H new ATOM 103 N ILE A 8 13.934 -5.108 -5.156 1.00 43.41 N ATOM 104 CA ILE A 8 12.804 -4.312 -5.598 1.00 72.12 C ATOM 105 C ILE A 8 12.326 -4.902 -6.921 1.00 45.43 C ATOM 106 O ILE A 8 12.953 -4.678 -7.968 1.00 42.41 O ATOM 107 CB ILE A 8 13.154 -2.816 -5.713 1.00 1.14 C ATOM 108 CG1 ILE A 8 13.680 -2.199 -4.410 1.00 45.43 C ATOM 109 CG2 ILE A 8 11.904 -2.064 -6.178 1.00 31.43 C ATOM 110 CD1 ILE A 8 12.694 -2.306 -3.252 1.00 34.03 C ATOM 0 H ILE A 8 14.841 -4.648 -5.240 1.00 43.41 H new ATOM 0 HA ILE A 8 12.003 -4.353 -4.860 1.00 72.12 H new ATOM 0 HB ILE A 8 13.968 -2.726 -6.433 1.00 1.14 H new ATOM 0 HG12 ILE A 8 14.611 -2.693 -4.132 1.00 45.43 H new ATOM 0 HG13 ILE A 8 13.915 -1.149 -4.582 1.00 45.43 H new ATOM 0 HG21 ILE A 8 12.130 -1.001 -6.266 1.00 31.43 H new ATOM 0 HG22 ILE A 8 11.587 -2.449 -7.147 1.00 31.43 H new ATOM 0 HG23 ILE A 8 11.103 -2.205 -5.452 1.00 31.43 H new ATOM 0 HD11 ILE A 8 13.128 -1.851 -2.362 1.00 34.03 H new ATOM 0 HD12 ILE A 8 11.771 -1.788 -3.511 1.00 34.03 H new ATOM 0 HD13 ILE A 8 12.478 -3.356 -3.054 1.00 34.03 H new ATOM 122 N GLN A 9 11.236 -5.659 -6.853 1.00 72.11 N ATOM 123 CA GLN A 9 10.581 -6.285 -7.981 1.00 64.34 C ATOM 124 C GLN A 9 9.163 -5.751 -8.059 1.00 25.05 C ATOM 125 O GLN A 9 8.371 -5.996 -7.153 1.00 12.15 O ATOM 126 CB GLN A 9 10.605 -7.809 -7.824 1.00 71.04 C ATOM 127 CG GLN A 9 11.900 -8.416 -8.365 1.00 25.45 C ATOM 128 CD GLN A 9 12.016 -9.919 -8.119 1.00 11.45 C ATOM 129 OE1 GLN A 9 13.010 -10.423 -7.597 1.00 51.51 O ATOM 130 NE2 GLN A 9 10.998 -10.675 -8.474 1.00 64.42 N ATOM 0 H GLN A 9 10.769 -5.858 -5.968 1.00 72.11 H new ATOM 0 HA GLN A 9 11.102 -6.050 -8.909 1.00 64.34 H new ATOM 0 HB2 GLN A 9 10.495 -8.068 -6.771 1.00 71.04 H new ATOM 0 HB3 GLN A 9 9.754 -8.242 -8.349 1.00 71.04 H new ATOM 0 HG2 GLN A 9 11.962 -8.225 -9.436 1.00 25.45 H new ATOM 0 HG3 GLN A 9 12.749 -7.913 -7.902 1.00 25.45 H new ATOM 0 HE21 GLN A 9 10.176 -10.253 -8.906 1.00 64.42 H new ATOM 0 HE22 GLN A 9 11.031 -11.682 -8.317 1.00 64.42 H new ATOM 139 N LEU A 10 8.864 -5.026 -9.141 1.00 31.34 N ATOM 140 CA LEU A 10 7.548 -4.436 -9.375 1.00 51.11 C ATOM 141 C LEU A 10 6.600 -5.364 -10.134 1.00 12.35 C ATOM 142 O LEU A 10 5.424 -5.006 -10.275 1.00 14.13 O ATOM 143 CB LEU A 10 7.662 -3.078 -10.099 1.00 50.31 C ATOM 144 CG LEU A 10 7.737 -3.105 -11.635 1.00 32.43 C ATOM 145 CD1 LEU A 10 7.763 -1.664 -12.153 1.00 42.53 C ATOM 146 CD2 LEU A 10 8.978 -3.848 -12.130 1.00 74.01 C ATOM 0 H LEU A 10 9.536 -4.832 -9.884 1.00 31.34 H new ATOM 0 HA LEU A 10 7.114 -4.276 -8.388 1.00 51.11 H new ATOM 0 HB2 LEU A 10 6.804 -2.470 -9.813 1.00 50.31 H new ATOM 0 HB3 LEU A 10 8.551 -2.570 -9.726 1.00 50.31 H new ATOM 0 HG LEU A 10 6.862 -3.635 -12.012 1.00 32.43 H new ATOM 0 HD11 LEU A 10 7.816 -1.670 -13.242 1.00 42.53 H new ATOM 0 HD12 LEU A 10 6.857 -1.147 -11.837 1.00 42.53 H new ATOM 0 HD13 LEU A 10 8.634 -1.148 -11.750 1.00 42.53 H new ATOM 0 HD21 LEU A 10 8.994 -3.844 -13.220 1.00 74.01 H new ATOM 0 HD22 LEU A 10 9.873 -3.353 -11.753 1.00 74.01 H new ATOM 0 HD23 LEU A 10 8.954 -4.877 -11.771 1.00 74.01 H new ATOM 158 N HIS A 11 7.100 -6.477 -10.669 1.00 32.32 N ATOM 159 CA HIS A 11 6.363 -7.460 -11.448 1.00 74.12 C ATOM 160 C HIS A 11 5.459 -6.760 -12.463 1.00 14.43 C ATOM 161 O HIS A 11 4.238 -6.759 -12.288 1.00 52.53 O ATOM 162 CB HIS A 11 5.643 -8.458 -10.535 1.00 14.21 C ATOM 163 CG HIS A 11 6.605 -9.344 -9.795 1.00 44.51 C ATOM 164 ND1 HIS A 11 7.074 -10.544 -10.262 1.00 32.43 N ATOM 165 CD2 HIS A 11 7.219 -9.089 -8.596 1.00 45.43 C ATOM 166 CE1 HIS A 11 7.935 -11.024 -9.353 1.00 50.31 C ATOM 167 NE2 HIS A 11 8.068 -10.168 -8.323 1.00 2.34 N ATOM 0 H HIS A 11 8.083 -6.727 -10.562 1.00 32.32 H new ATOM 0 HA HIS A 11 7.057 -8.064 -12.033 1.00 74.12 H new ATOM 0 HB2 HIS A 11 5.027 -7.914 -9.819 1.00 14.21 H new ATOM 0 HB3 HIS A 11 4.970 -9.073 -11.131 1.00 14.21 H new ATOM 0 HD1 HIS A 11 6.815 -10.991 -11.142 1.00 32.43 H new ATOM 0 HD2 HIS A 11 7.074 -8.216 -7.976 1.00 45.43 H new ATOM 0 HE1 HIS A 11 8.451 -11.969 -9.436 1.00 50.31 H new ATOM 175 N LYS A 12 6.017 -6.151 -13.516 1.00 45.51 N ATOM 176 CA LYS A 12 5.223 -5.499 -14.565 1.00 41.31 C ATOM 177 C LYS A 12 4.141 -6.446 -15.106 1.00 34.13 C ATOM 178 O LYS A 12 3.087 -5.964 -15.523 1.00 34.24 O ATOM 179 CB LYS A 12 6.115 -5.005 -15.729 1.00 73.13 C ATOM 180 CG LYS A 12 6.779 -3.625 -15.557 1.00 64.21 C ATOM 181 CD LYS A 12 5.795 -2.438 -15.622 1.00 23.02 C ATOM 182 CE LYS A 12 6.364 -1.216 -16.370 1.00 45.13 C ATOM 183 NZ LYS A 12 7.396 -0.442 -15.636 1.00 70.31 N ATOM 0 H LYS A 12 7.025 -6.096 -13.665 1.00 45.51 H new ATOM 0 HA LYS A 12 4.741 -4.634 -14.110 1.00 41.31 H new ATOM 0 HB2 LYS A 12 6.901 -5.742 -15.892 1.00 73.13 H new ATOM 0 HB3 LYS A 12 5.509 -4.980 -16.635 1.00 73.13 H new ATOM 0 HG2 LYS A 12 7.298 -3.601 -14.599 1.00 64.21 H new ATOM 0 HG3 LYS A 12 7.535 -3.499 -16.332 1.00 64.21 H new ATOM 0 HD2 LYS A 12 4.878 -2.762 -16.114 1.00 23.02 H new ATOM 0 HD3 LYS A 12 5.526 -2.142 -14.608 1.00 23.02 H new ATOM 0 HE2 LYS A 12 6.792 -1.556 -17.313 1.00 45.13 H new ATOM 0 HE3 LYS A 12 5.540 -0.547 -16.617 1.00 45.13 H new ATOM 0 HZ1 LYS A 12 7.857 0.225 -16.287 1.00 70.31 H new ATOM 0 HZ2 LYS A 12 6.948 0.085 -14.860 1.00 70.31 H new ATOM 0 HZ3 LYS A 12 8.107 -1.094 -15.247 1.00 70.31 H new ATOM 197 N ALA A 13 4.371 -7.762 -15.035 1.00 22.02 N ATOM 198 CA ALA A 13 3.415 -8.837 -15.239 1.00 74.40 C ATOM 199 C ALA A 13 2.081 -8.601 -14.514 1.00 61.21 C ATOM 200 O ALA A 13 1.050 -8.475 -15.174 1.00 13.23 O ATOM 201 CB ALA A 13 4.062 -10.148 -14.774 1.00 53.10 C ATOM 0 H ALA A 13 5.300 -8.121 -14.817 1.00 22.02 H new ATOM 0 HA ALA A 13 3.170 -8.882 -16.300 1.00 74.40 H new ATOM 0 HB1 ALA A 13 3.361 -10.971 -14.918 1.00 53.10 H new ATOM 0 HB2 ALA A 13 4.965 -10.334 -15.355 1.00 53.10 H new ATOM 0 HB3 ALA A 13 4.320 -10.072 -13.718 1.00 53.10 H new ATOM 207 N SER A 14 2.095 -8.556 -13.178 1.00 32.04 N ATOM 208 CA SER A 14 0.901 -8.645 -12.326 1.00 70.14 C ATOM 209 C SER A 14 0.821 -7.532 -11.260 1.00 4.15 C ATOM 210 O SER A 14 -0.022 -7.567 -10.368 1.00 12.52 O ATOM 211 CB SER A 14 0.810 -10.060 -11.730 1.00 43.10 C ATOM 212 OG SER A 14 0.831 -11.054 -12.751 1.00 65.11 O ATOM 0 H SER A 14 2.958 -8.454 -12.644 1.00 32.04 H new ATOM 0 HA SER A 14 0.024 -8.472 -12.949 1.00 70.14 H new ATOM 0 HB2 SER A 14 1.642 -10.222 -11.044 1.00 43.10 H new ATOM 0 HB3 SER A 14 -0.106 -10.153 -11.147 1.00 43.10 H new ATOM 0 HG SER A 14 0.774 -11.943 -12.343 1.00 65.11 H new ATOM 218 N LYS A 15 1.660 -6.498 -11.383 1.00 61.24 N ATOM 219 CA LYS A 15 1.728 -5.276 -10.571 1.00 30.15 C ATOM 220 C LYS A 15 1.913 -5.594 -9.088 1.00 2.43 C ATOM 221 O LYS A 15 1.299 -4.979 -8.212 1.00 41.23 O ATOM 222 CB LYS A 15 0.536 -4.335 -10.840 1.00 24.02 C ATOM 223 CG LYS A 15 0.048 -4.277 -12.307 1.00 71.45 C ATOM 224 CD LYS A 15 -0.009 -2.871 -12.899 1.00 63.24 C ATOM 225 CE LYS A 15 -1.239 -2.700 -13.794 1.00 23.22 C ATOM 226 NZ LYS A 15 -1.240 -3.532 -15.013 1.00 65.34 N ATOM 0 H LYS A 15 2.370 -6.493 -12.115 1.00 61.24 H new ATOM 0 HA LYS A 15 2.618 -4.728 -10.881 1.00 30.15 H new ATOM 0 HB2 LYS A 15 -0.298 -4.645 -10.210 1.00 24.02 H new ATOM 0 HB3 LYS A 15 0.813 -3.328 -10.528 1.00 24.02 H new ATOM 0 HG2 LYS A 15 0.708 -4.890 -12.921 1.00 71.45 H new ATOM 0 HG3 LYS A 15 -0.945 -4.722 -12.364 1.00 71.45 H new ATOM 0 HD2 LYS A 15 -0.035 -2.135 -12.095 1.00 63.24 H new ATOM 0 HD3 LYS A 15 0.895 -2.679 -13.477 1.00 63.24 H new ATOM 0 HE2 LYS A 15 -2.130 -2.934 -13.211 1.00 23.22 H new ATOM 0 HE3 LYS A 15 -1.315 -1.653 -14.086 1.00 23.22 H new ATOM 0 HZ1 LYS A 15 -2.108 -3.351 -15.556 1.00 65.34 H new ATOM 0 HZ2 LYS A 15 -0.411 -3.295 -15.595 1.00 65.34 H new ATOM 0 HZ3 LYS A 15 -1.201 -4.537 -14.748 1.00 65.34 H new ATOM 240 N THR A 16 2.791 -6.541 -8.791 1.00 41.12 N ATOM 241 CA THR A 16 3.004 -7.042 -7.440 1.00 51.21 C ATOM 242 C THR A 16 4.333 -6.480 -6.944 1.00 71.14 C ATOM 243 O THR A 16 5.322 -6.520 -7.673 1.00 74.11 O ATOM 244 CB THR A 16 2.944 -8.573 -7.498 1.00 2.24 C ATOM 245 OG1 THR A 16 1.694 -8.962 -8.045 1.00 54.24 O ATOM 246 CG2 THR A 16 3.141 -9.220 -6.132 1.00 52.51 C ATOM 0 H THR A 16 3.383 -6.989 -9.490 1.00 41.12 H new ATOM 0 HA THR A 16 2.242 -6.724 -6.728 1.00 51.21 H new ATOM 0 HB THR A 16 3.763 -8.918 -8.129 1.00 2.24 H new ATOM 0 HG1 THR A 16 1.646 -9.940 -8.088 1.00 54.24 H new ATOM 0 HG21 THR A 16 3.089 -10.304 -6.232 1.00 52.51 H new ATOM 0 HG22 THR A 16 4.116 -8.939 -5.733 1.00 52.51 H new ATOM 0 HG23 THR A 16 2.359 -8.880 -5.452 1.00 52.51 H new ATOM 254 N LEU A 17 4.357 -5.804 -5.796 1.00 34.24 N ATOM 255 CA LEU A 17 5.596 -5.342 -5.174 1.00 72.34 C ATOM 256 C LEU A 17 6.106 -6.458 -4.268 1.00 54.44 C ATOM 257 O LEU A 17 5.510 -6.722 -3.224 1.00 25.14 O ATOM 258 CB LEU A 17 5.377 -4.026 -4.410 1.00 22.41 C ATOM 259 CG LEU A 17 6.621 -3.563 -3.612 1.00 52.42 C ATOM 260 CD1 LEU A 17 7.964 -3.710 -4.338 1.00 1.51 C ATOM 261 CD2 LEU A 17 6.481 -2.081 -3.230 1.00 23.44 C ATOM 0 H LEU A 17 3.517 -5.561 -5.271 1.00 34.24 H new ATOM 0 HA LEU A 17 6.346 -5.123 -5.934 1.00 72.34 H new ATOM 0 HB2 LEU A 17 5.098 -3.246 -5.118 1.00 22.41 H new ATOM 0 HB3 LEU A 17 4.539 -4.148 -3.724 1.00 22.41 H new ATOM 0 HG LEU A 17 6.643 -4.228 -2.748 1.00 52.42 H new ATOM 0 HD11 LEU A 17 8.768 -3.357 -3.691 1.00 1.51 H new ATOM 0 HD12 LEU A 17 8.131 -4.758 -4.586 1.00 1.51 H new ATOM 0 HD13 LEU A 17 7.949 -3.119 -5.254 1.00 1.51 H new ATOM 0 HD21 LEU A 17 7.361 -1.765 -2.669 1.00 23.44 H new ATOM 0 HD22 LEU A 17 6.392 -1.479 -4.134 1.00 23.44 H new ATOM 0 HD23 LEU A 17 5.591 -1.946 -2.615 1.00 23.44 H new ATOM 273 N THR A 18 7.194 -7.111 -4.667 1.00 30.25 N ATOM 274 CA THR A 18 7.803 -8.152 -3.849 1.00 13.31 C ATOM 275 C THR A 18 8.860 -7.482 -2.968 1.00 14.33 C ATOM 276 O THR A 18 9.680 -6.699 -3.457 1.00 22.33 O ATOM 277 CB THR A 18 8.327 -9.288 -4.742 1.00 45.31 C ATOM 278 OG1 THR A 18 7.280 -9.747 -5.583 1.00 54.51 O ATOM 279 CG2 THR A 18 8.832 -10.487 -3.933 1.00 44.34 C ATOM 0 H THR A 18 7.671 -6.937 -5.552 1.00 30.25 H new ATOM 0 HA THR A 18 7.085 -8.635 -3.186 1.00 13.31 H new ATOM 0 HB THR A 18 9.159 -8.880 -5.316 1.00 45.31 H new ATOM 0 HG1 THR A 18 7.651 -10.017 -6.449 1.00 54.51 H new ATOM 0 HG21 THR A 18 9.190 -11.260 -4.613 1.00 44.34 H new ATOM 0 HG22 THR A 18 9.647 -10.170 -3.282 1.00 44.34 H new ATOM 0 HG23 THR A 18 8.018 -10.886 -3.327 1.00 44.34 H new ATOM 287 N LEU A 19 8.815 -7.757 -1.663 1.00 31.33 N ATOM 288 CA LEU A 19 9.712 -7.231 -0.647 1.00 64.13 C ATOM 289 C LEU A 19 10.247 -8.405 0.161 1.00 2.45 C ATOM 290 O LEU A 19 9.500 -9.051 0.899 1.00 25.44 O ATOM 291 CB LEU A 19 9.006 -6.210 0.263 1.00 71.04 C ATOM 292 CG LEU A 19 8.820 -4.796 -0.316 1.00 11.41 C ATOM 293 CD1 LEU A 19 8.308 -3.884 0.807 1.00 24.21 C ATOM 294 CD2 LEU A 19 10.111 -4.185 -0.885 1.00 12.32 C ATOM 0 H LEU A 19 8.113 -8.386 -1.272 1.00 31.33 H new ATOM 0 HA LEU A 19 10.533 -6.698 -1.127 1.00 64.13 H new ATOM 0 HB2 LEU A 19 8.024 -6.605 0.524 1.00 71.04 H new ATOM 0 HB3 LEU A 19 9.573 -6.128 1.190 1.00 71.04 H new ATOM 0 HG LEU A 19 8.116 -4.878 -1.144 1.00 11.41 H new ATOM 0 HD11 LEU A 19 8.168 -2.874 0.421 1.00 24.21 H new ATOM 0 HD12 LEU A 19 7.357 -4.265 1.180 1.00 24.21 H new ATOM 0 HD13 LEU A 19 9.035 -3.864 1.619 1.00 24.21 H new ATOM 0 HD21 LEU A 19 9.901 -3.189 -1.275 1.00 12.32 H new ATOM 0 HD22 LEU A 19 10.859 -4.116 -0.096 1.00 12.32 H new ATOM 0 HD23 LEU A 19 10.489 -4.817 -1.689 1.00 12.32 H new ATOM 306 N ARG A 20 11.544 -8.694 0.035 1.00 44.52 N ATOM 307 CA ARG A 20 12.169 -9.789 0.771 1.00 25.02 C ATOM 308 C ARG A 20 12.459 -9.322 2.191 1.00 65.23 C ATOM 309 O ARG A 20 13.513 -8.710 2.392 1.00 54.21 O ATOM 310 CB ARG A 20 13.438 -10.239 0.044 1.00 10.12 C ATOM 311 CG ARG A 20 14.101 -11.449 0.722 1.00 2.43 C ATOM 312 CD ARG A 20 15.513 -11.656 0.178 1.00 53.50 C ATOM 313 NE ARG A 20 16.442 -10.642 0.706 1.00 74.34 N ATOM 314 CZ ARG A 20 17.742 -10.571 0.406 1.00 63.32 C ATOM 315 NH1 ARG A 20 18.214 -11.208 -0.659 1.00 44.14 N ATOM 316 NH2 ARG A 20 18.558 -9.838 1.150 1.00 3.15 N ATOM 0 H ARG A 20 12.182 -8.181 -0.573 1.00 44.52 H new ATOM 0 HA ARG A 20 11.502 -10.649 0.824 1.00 25.02 H new ATOM 0 HB2 ARG A 20 13.193 -10.493 -0.987 1.00 10.12 H new ATOM 0 HB3 ARG A 20 14.147 -9.412 0.009 1.00 10.12 H new ATOM 0 HG2 ARG A 20 14.139 -11.294 1.800 1.00 2.43 H new ATOM 0 HG3 ARG A 20 13.503 -12.344 0.549 1.00 2.43 H new ATOM 0 HD2 ARG A 20 15.866 -12.652 0.446 1.00 53.50 H new ATOM 0 HD3 ARG A 20 15.497 -11.606 -0.911 1.00 53.50 H new ATOM 0 HE ARG A 20 16.066 -9.944 1.347 1.00 74.34 H new ATOM 0 HH11 ARG A 20 17.584 -11.752 -1.249 1.00 44.14 H new ATOM 0 HH12 ARG A 20 19.207 -11.153 -0.888 1.00 44.14 H new ATOM 0 HH21 ARG A 20 18.194 -9.326 1.954 1.00 3.15 H new ATOM 0 HH22 ARG A 20 19.550 -9.786 0.919 1.00 3.15 H new ATOM 330 N TYR A 21 11.531 -9.462 3.140 1.00 14.13 N ATOM 331 CA TYR A 21 11.790 -9.063 4.516 1.00 63.24 C ATOM 332 C TYR A 21 12.856 -9.978 5.108 1.00 33.43 C ATOM 333 O TYR A 21 12.520 -11.036 5.628 1.00 12.33 O ATOM 334 CB TYR A 21 10.513 -9.016 5.371 1.00 23.03 C ATOM 335 CG TYR A 21 10.660 -8.319 6.722 1.00 13.44 C ATOM 336 CD1 TYR A 21 11.666 -8.685 7.645 1.00 62.03 C ATOM 337 CD2 TYR A 21 9.753 -7.306 7.086 1.00 10.43 C ATOM 338 CE1 TYR A 21 11.752 -8.078 8.899 1.00 4.35 C ATOM 339 CE2 TYR A 21 9.834 -6.688 8.351 1.00 33.25 C ATOM 340 CZ TYR A 21 10.823 -7.090 9.272 1.00 13.25 C ATOM 341 OH TYR A 21 10.905 -6.542 10.513 1.00 22.32 O ATOM 0 H TYR A 21 10.600 -9.847 2.978 1.00 14.13 H new ATOM 0 HA TYR A 21 12.165 -8.040 4.517 1.00 63.24 H new ATOM 0 HB2 TYR A 21 9.733 -8.510 4.802 1.00 23.03 H new ATOM 0 HB3 TYR A 21 10.172 -10.037 5.542 1.00 23.03 H new ATOM 0 HD1 TYR A 21 12.381 -9.448 7.375 1.00 62.03 H new ATOM 0 HD2 TYR A 21 8.987 -6.999 6.389 1.00 10.43 H new ATOM 0 HE1 TYR A 21 12.534 -8.368 9.585 1.00 4.35 H new ATOM 0 HE2 TYR A 21 9.138 -5.906 8.615 1.00 33.25 H new ATOM 0 HH TYR A 21 10.197 -5.874 10.623 1.00 22.32 H new ATOM 351 N GLY A 22 14.119 -9.554 5.110 1.00 30.22 N ATOM 352 CA GLY A 22 15.185 -10.231 5.831 1.00 73.40 C ATOM 353 C GLY A 22 15.580 -11.519 5.132 1.00 5.45 C ATOM 354 O GLY A 22 16.573 -11.562 4.399 1.00 5.32 O ATOM 0 H GLY A 22 14.429 -8.723 4.606 1.00 30.22 H new ATOM 0 HA2 GLY A 22 16.051 -9.574 5.908 1.00 73.40 H new ATOM 0 HA3 GLY A 22 14.859 -10.450 6.848 1.00 73.40 H new ATOM 358 N GLU A 23 14.824 -12.569 5.417 1.00 23.03 N ATOM 359 CA GLU A 23 14.917 -13.909 4.865 1.00 22.44 C ATOM 360 C GLU A 23 13.520 -14.442 4.489 1.00 53.12 C ATOM 361 O GLU A 23 13.416 -15.491 3.850 1.00 33.04 O ATOM 362 CB GLU A 23 15.661 -14.803 5.878 1.00 22.03 C ATOM 363 CG GLU A 23 17.020 -14.198 6.247 1.00 60.23 C ATOM 364 CD GLU A 23 17.935 -15.086 7.084 1.00 1.44 C ATOM 365 OE1 GLU A 23 18.756 -15.831 6.512 1.00 12.33 O ATOM 366 OE2 GLU A 23 17.981 -14.900 8.327 1.00 53.40 O ATOM 0 H GLU A 23 14.067 -12.497 6.097 1.00 23.03 H new ATOM 0 HA GLU A 23 15.488 -13.906 3.937 1.00 22.44 H new ATOM 0 HB2 GLU A 23 15.056 -14.923 6.777 1.00 22.03 H new ATOM 0 HB3 GLU A 23 15.804 -15.797 5.455 1.00 22.03 H new ATOM 0 HG2 GLU A 23 17.542 -13.935 5.327 1.00 60.23 H new ATOM 0 HG3 GLU A 23 16.848 -13.270 6.792 1.00 60.23 H new ATOM 373 N ASP A 24 12.453 -13.711 4.828 1.00 45.14 N ATOM 374 CA ASP A 24 11.067 -13.904 4.396 1.00 1.34 C ATOM 375 C ASP A 24 10.929 -13.232 3.024 1.00 23.35 C ATOM 376 O ASP A 24 11.757 -12.392 2.655 1.00 10.33 O ATOM 377 CB ASP A 24 10.050 -13.182 5.319 1.00 42.13 C ATOM 378 CG ASP A 24 10.171 -13.327 6.841 1.00 41.54 C ATOM 379 OD1 ASP A 24 11.222 -13.744 7.379 1.00 63.03 O ATOM 380 OD2 ASP A 24 9.237 -12.916 7.568 1.00 11.11 O ATOM 0 H ASP A 24 12.543 -12.912 5.456 1.00 45.14 H new ATOM 0 HA ASP A 24 10.859 -14.974 4.401 1.00 1.34 H new ATOM 0 HB2 ASP A 24 10.099 -12.118 5.088 1.00 42.13 H new ATOM 0 HB3 ASP A 24 9.054 -13.524 5.037 1.00 42.13 H new ATOM 385 N SER A 25 9.864 -13.496 2.267 1.00 50.50 N ATOM 386 CA SER A 25 9.537 -12.741 1.088 1.00 10.21 C ATOM 387 C SER A 25 8.029 -12.614 0.945 1.00 24.35 C ATOM 388 O SER A 25 7.334 -13.614 0.785 1.00 32.05 O ATOM 389 CB SER A 25 10.167 -13.407 -0.124 1.00 2.31 C ATOM 390 OG SER A 25 10.293 -14.819 -0.040 1.00 3.55 O ATOM 0 H SER A 25 9.207 -14.250 2.469 1.00 50.50 H new ATOM 0 HA SER A 25 9.939 -11.731 1.170 1.00 10.21 H new ATOM 0 HB2 SER A 25 9.571 -13.163 -1.004 1.00 2.31 H new ATOM 0 HB3 SER A 25 11.157 -12.978 -0.281 1.00 2.31 H new ATOM 0 HG SER A 25 10.705 -15.160 -0.861 1.00 3.55 H new ATOM 396 N TYR A 26 7.546 -11.376 0.959 1.00 32.43 N ATOM 397 CA TYR A 26 6.137 -11.048 0.831 1.00 13.24 C ATOM 398 C TYR A 26 5.930 -10.356 -0.513 1.00 72.02 C ATOM 399 O TYR A 26 6.791 -9.592 -0.950 1.00 31.02 O ATOM 400 CB TYR A 26 5.729 -10.144 2.002 1.00 43.21 C ATOM 401 CG TYR A 26 5.998 -10.737 3.375 1.00 45.40 C ATOM 402 CD1 TYR A 26 5.235 -11.834 3.808 1.00 2.24 C ATOM 403 CD2 TYR A 26 7.007 -10.214 4.211 1.00 42.31 C ATOM 404 CE1 TYR A 26 5.465 -12.409 5.068 1.00 54.21 C ATOM 405 CE2 TYR A 26 7.239 -10.779 5.479 1.00 63.40 C ATOM 406 CZ TYR A 26 6.469 -11.886 5.906 1.00 25.05 C ATOM 407 OH TYR A 26 6.657 -12.420 7.140 1.00 73.22 O ATOM 0 H TYR A 26 8.142 -10.555 1.062 1.00 32.43 H new ATOM 0 HA TYR A 26 5.514 -11.942 0.863 1.00 13.24 H new ATOM 0 HB2 TYR A 26 6.263 -9.197 1.917 1.00 43.21 H new ATOM 0 HB3 TYR A 26 4.666 -9.919 1.918 1.00 43.21 H new ATOM 0 HD1 TYR A 26 4.466 -12.238 3.167 1.00 2.24 H new ATOM 0 HD2 TYR A 26 7.603 -9.378 3.877 1.00 42.31 H new ATOM 0 HE1 TYR A 26 4.873 -13.251 5.394 1.00 54.21 H new ATOM 0 HE2 TYR A 26 8.002 -10.369 6.124 1.00 63.40 H new ATOM 0 HH TYR A 26 7.614 -12.566 7.291 1.00 73.22 H new ATOM 417 N ASP A 27 4.787 -10.589 -1.153 1.00 30.42 N ATOM 418 CA ASP A 27 4.465 -10.140 -2.505 1.00 14.25 C ATOM 419 C ASP A 27 3.133 -9.395 -2.454 1.00 23.03 C ATOM 420 O ASP A 27 2.059 -9.990 -2.408 1.00 11.52 O ATOM 421 CB ASP A 27 4.503 -11.323 -3.488 1.00 74.02 C ATOM 422 CG ASP A 27 3.358 -12.325 -3.309 1.00 21.14 C ATOM 423 OD1 ASP A 27 3.326 -13.013 -2.261 1.00 63.21 O ATOM 424 OD2 ASP A 27 2.530 -12.481 -4.228 1.00 41.51 O ATOM 0 H ASP A 27 4.027 -11.119 -0.725 1.00 30.42 H new ATOM 0 HA ASP A 27 5.210 -9.441 -2.885 1.00 14.25 H new ATOM 0 HB2 ASP A 27 4.476 -10.936 -4.506 1.00 74.02 H new ATOM 0 HB3 ASP A 27 5.451 -11.847 -3.371 1.00 74.02 H new ATOM 429 N LEU A 28 3.192 -8.074 -2.302 1.00 41.53 N ATOM 430 CA LEU A 28 2.012 -7.276 -1.989 1.00 4.45 C ATOM 431 C LEU A 28 1.357 -6.763 -3.278 1.00 1.55 C ATOM 432 O LEU A 28 2.071 -6.423 -4.228 1.00 30.02 O ATOM 433 CB LEU A 28 2.391 -6.098 -1.082 1.00 62.44 C ATOM 434 CG LEU A 28 3.391 -6.409 0.051 1.00 33.33 C ATOM 435 CD1 LEU A 28 3.386 -5.240 1.034 1.00 41.43 C ATOM 436 CD2 LEU A 28 3.099 -7.697 0.836 1.00 65.14 C ATOM 0 H LEU A 28 4.051 -7.532 -2.392 1.00 41.53 H new ATOM 0 HA LEU A 28 1.297 -7.907 -1.462 1.00 4.45 H new ATOM 0 HB2 LEU A 28 2.812 -5.308 -1.704 1.00 62.44 H new ATOM 0 HB3 LEU A 28 1.479 -5.701 -0.636 1.00 62.44 H new ATOM 0 HG LEU A 28 4.357 -6.557 -0.431 1.00 33.33 H new ATOM 0 HD11 LEU A 28 4.088 -5.442 1.843 1.00 41.43 H new ATOM 0 HD12 LEU A 28 3.682 -4.328 0.516 1.00 41.43 H new ATOM 0 HD13 LEU A 28 2.384 -5.115 1.445 1.00 41.43 H new ATOM 0 HD21 LEU A 28 3.855 -7.831 1.610 1.00 65.14 H new ATOM 0 HD22 LEU A 28 2.115 -7.626 1.298 1.00 65.14 H new ATOM 0 HD23 LEU A 28 3.120 -8.550 0.157 1.00 65.14 H new ATOM 448 N PRO A 29 0.019 -6.653 -3.342 1.00 4.34 N ATOM 449 CA PRO A 29 -0.649 -6.110 -4.518 1.00 3.51 C ATOM 450 C PRO A 29 -0.495 -4.586 -4.572 1.00 33.44 C ATOM 451 O PRO A 29 -0.400 -3.921 -3.535 1.00 45.25 O ATOM 452 CB PRO A 29 -2.117 -6.519 -4.373 1.00 65.21 C ATOM 453 CG PRO A 29 -2.311 -6.612 -2.864 1.00 71.32 C ATOM 454 CD PRO A 29 -0.952 -7.104 -2.354 1.00 33.02 C ATOM 0 HA PRO A 29 -0.221 -6.490 -5.446 1.00 3.51 H new ATOM 0 HB2 PRO A 29 -2.785 -5.782 -4.819 1.00 65.21 H new ATOM 0 HB3 PRO A 29 -2.319 -7.471 -4.863 1.00 65.21 H new ATOM 0 HG2 PRO A 29 -2.575 -5.646 -2.434 1.00 71.32 H new ATOM 0 HG3 PRO A 29 -3.111 -7.305 -2.605 1.00 71.32 H new ATOM 0 HD2 PRO A 29 -0.730 -6.693 -1.369 1.00 33.02 H new ATOM 0 HD3 PRO A 29 -0.938 -8.190 -2.257 1.00 33.02 H new ATOM 462 N ALA A 30 -0.577 -4.016 -5.778 1.00 53.23 N ATOM 463 CA ALA A 30 -0.490 -2.572 -5.979 1.00 13.21 C ATOM 464 C ALA A 30 -1.550 -1.826 -5.166 1.00 54.34 C ATOM 465 O ALA A 30 -1.249 -0.802 -4.546 1.00 53.24 O ATOM 466 CB ALA A 30 -0.605 -2.244 -7.474 1.00 61.05 C ATOM 0 H ALA A 30 -0.706 -4.545 -6.640 1.00 53.23 H new ATOM 0 HA ALA A 30 0.482 -2.234 -5.620 1.00 13.21 H new ATOM 0 HB1 ALA A 30 -0.539 -1.165 -7.616 1.00 61.05 H new ATOM 0 HB2 ALA A 30 0.205 -2.731 -8.017 1.00 61.05 H new ATOM 0 HB3 ALA A 30 -1.562 -2.602 -7.852 1.00 61.05 H new ATOM 472 N GLU A 31 -2.784 -2.342 -5.143 1.00 53.32 N ATOM 473 CA GLU A 31 -3.865 -1.694 -4.416 1.00 70.15 C ATOM 474 C GLU A 31 -3.602 -1.638 -2.914 1.00 74.31 C ATOM 475 O GLU A 31 -3.978 -0.652 -2.288 1.00 2.43 O ATOM 476 CB GLU A 31 -5.232 -2.304 -4.753 1.00 30.10 C ATOM 477 CG GLU A 31 -5.506 -3.681 -4.133 1.00 21.00 C ATOM 478 CD GLU A 31 -6.910 -4.171 -4.481 1.00 61.03 C ATOM 479 OE1 GLU A 31 -7.889 -3.489 -4.060 1.00 44.15 O ATOM 480 OE2 GLU A 31 -7.025 -5.231 -5.132 1.00 5.40 O ATOM 0 H GLU A 31 -3.052 -3.203 -5.620 1.00 53.32 H new ATOM 0 HA GLU A 31 -3.896 -0.659 -4.756 1.00 70.15 H new ATOM 0 HB2 GLU A 31 -6.010 -1.615 -4.425 1.00 30.10 H new ATOM 0 HB3 GLU A 31 -5.317 -2.388 -5.836 1.00 30.10 H new ATOM 0 HG2 GLU A 31 -4.768 -4.398 -4.492 1.00 21.00 H new ATOM 0 HG3 GLU A 31 -5.395 -3.624 -3.050 1.00 21.00 H new ATOM 487 N PHE A 32 -2.920 -2.634 -2.330 1.00 74.03 N ATOM 488 CA PHE A 32 -2.634 -2.616 -0.899 1.00 30.01 C ATOM 489 C PHE A 32 -1.826 -1.367 -0.542 1.00 43.25 C ATOM 490 O PHE A 32 -2.230 -0.604 0.339 1.00 61.03 O ATOM 491 CB PHE A 32 -1.932 -3.909 -0.467 1.00 74.03 C ATOM 492 CG PHE A 32 -1.363 -3.883 0.931 1.00 63.31 C ATOM 493 CD1 PHE A 32 -2.223 -3.918 2.040 1.00 30.34 C ATOM 494 CD2 PHE A 32 0.027 -3.812 1.128 1.00 65.15 C ATOM 495 CE1 PHE A 32 -1.696 -3.899 3.339 1.00 32.32 C ATOM 496 CE2 PHE A 32 0.548 -3.793 2.431 1.00 4.10 C ATOM 497 CZ PHE A 32 -0.308 -3.834 3.541 1.00 33.44 C ATOM 0 H PHE A 32 -2.562 -3.451 -2.825 1.00 74.03 H new ATOM 0 HA PHE A 32 -3.572 -2.570 -0.346 1.00 30.01 H new ATOM 0 HB2 PHE A 32 -2.642 -4.733 -0.540 1.00 74.03 H new ATOM 0 HB3 PHE A 32 -1.125 -4.120 -1.169 1.00 74.03 H new ATOM 0 HD1 PHE A 32 -3.292 -3.960 1.892 1.00 30.34 H new ATOM 0 HD2 PHE A 32 0.693 -3.772 0.278 1.00 65.15 H new ATOM 0 HE1 PHE A 32 -2.361 -3.935 4.189 1.00 32.32 H new ATOM 0 HE2 PHE A 32 1.617 -3.746 2.580 1.00 4.10 H new ATOM 0 HZ PHE A 32 0.097 -3.816 4.542 1.00 33.44 H new ATOM 507 N LEU A 33 -0.704 -1.121 -1.227 1.00 24.33 N ATOM 508 CA LEU A 33 0.110 0.063 -0.943 1.00 44.21 C ATOM 509 C LEU A 33 -0.660 1.344 -1.266 1.00 52.21 C ATOM 510 O LEU A 33 -0.548 2.323 -0.533 1.00 4.22 O ATOM 511 CB LEU A 33 1.435 0.041 -1.714 1.00 13.51 C ATOM 512 CG LEU A 33 2.427 -1.034 -1.234 1.00 4.23 C ATOM 513 CD1 LEU A 33 2.729 -2.013 -2.372 1.00 44.13 C ATOM 514 CD2 LEU A 33 3.723 -0.377 -0.746 1.00 63.03 C ATOM 0 H LEU A 33 -0.343 -1.717 -1.972 1.00 24.33 H new ATOM 0 HA LEU A 33 0.339 0.045 0.123 1.00 44.21 H new ATOM 0 HB2 LEU A 33 1.225 -0.121 -2.771 1.00 13.51 H new ATOM 0 HB3 LEU A 33 1.908 1.019 -1.629 1.00 13.51 H new ATOM 0 HG LEU A 33 1.979 -1.582 -0.405 1.00 4.23 H new ATOM 0 HD11 LEU A 33 3.432 -2.770 -2.024 1.00 44.13 H new ATOM 0 HD12 LEU A 33 1.805 -2.495 -2.692 1.00 44.13 H new ATOM 0 HD13 LEU A 33 3.165 -1.472 -3.211 1.00 44.13 H new ATOM 0 HD21 LEU A 33 4.417 -1.147 -0.409 1.00 63.03 H new ATOM 0 HD22 LEU A 33 4.175 0.187 -1.562 1.00 63.03 H new ATOM 0 HD23 LEU A 33 3.500 0.297 0.081 1.00 63.03 H new ATOM 526 N ARG A 34 -1.485 1.351 -2.321 1.00 54.51 N ATOM 527 CA ARG A 34 -2.277 2.530 -2.676 1.00 13.54 C ATOM 528 C ARG A 34 -3.302 2.912 -1.601 1.00 73.35 C ATOM 529 O ARG A 34 -3.825 4.027 -1.660 1.00 73.42 O ATOM 530 CB ARG A 34 -2.955 2.316 -4.045 1.00 23.33 C ATOM 531 CG ARG A 34 -3.837 3.486 -4.523 1.00 4.50 C ATOM 532 CD ARG A 34 -3.043 4.808 -4.591 1.00 53.32 C ATOM 533 NE ARG A 34 -3.868 5.947 -5.019 1.00 62.31 N ATOM 534 CZ ARG A 34 -4.729 6.632 -4.260 1.00 33.21 C ATOM 535 NH1 ARG A 34 -4.949 6.320 -2.985 1.00 3.53 N ATOM 536 NH2 ARG A 34 -5.395 7.651 -4.792 1.00 70.02 N ATOM 0 H ARG A 34 -1.620 0.553 -2.942 1.00 54.51 H new ATOM 0 HA ARG A 34 -1.589 3.373 -2.744 1.00 13.54 H new ATOM 0 HB2 ARG A 34 -2.182 2.134 -4.792 1.00 23.33 H new ATOM 0 HB3 ARG A 34 -3.567 1.416 -3.994 1.00 23.33 H new ATOM 0 HG2 ARG A 34 -4.245 3.256 -5.507 1.00 4.50 H new ATOM 0 HG3 ARG A 34 -4.683 3.604 -3.846 1.00 4.50 H new ATOM 0 HD2 ARG A 34 -2.617 5.022 -3.611 1.00 53.32 H new ATOM 0 HD3 ARG A 34 -2.208 4.690 -5.282 1.00 53.32 H new ATOM 0 HE ARG A 34 -3.774 6.244 -5.990 1.00 62.31 H new ATOM 0 HH11 ARG A 34 -4.453 5.537 -2.559 1.00 3.53 H new ATOM 0 HH12 ARG A 34 -5.613 6.864 -2.434 1.00 3.53 H new ATOM 0 HH21 ARG A 34 -5.247 7.903 -5.769 1.00 70.02 H new ATOM 0 HH22 ARG A 34 -6.055 8.182 -4.223 1.00 70.02 H new ATOM 550 N VAL A 35 -3.637 2.032 -0.656 1.00 71.23 N ATOM 551 CA VAL A 35 -4.592 2.375 0.386 1.00 2.24 C ATOM 552 C VAL A 35 -3.893 2.700 1.702 1.00 71.12 C ATOM 553 O VAL A 35 -4.402 3.565 2.401 1.00 63.11 O ATOM 554 CB VAL A 35 -5.761 1.383 0.445 1.00 32.01 C ATOM 555 CG1 VAL A 35 -6.445 1.327 -0.942 1.00 71.04 C ATOM 556 CG2 VAL A 35 -5.380 -0.028 0.909 1.00 10.12 C ATOM 0 H VAL A 35 -3.262 1.085 -0.595 1.00 71.23 H new ATOM 0 HA VAL A 35 -5.086 3.312 0.127 1.00 2.24 H new ATOM 0 HB VAL A 35 -6.446 1.756 1.207 1.00 32.01 H new ATOM 0 HG11 VAL A 35 -7.277 0.624 -0.909 1.00 71.04 H new ATOM 0 HG12 VAL A 35 -6.817 2.317 -1.205 1.00 71.04 H new ATOM 0 HG13 VAL A 35 -5.723 1.000 -1.691 1.00 71.04 H new ATOM 0 HG21 VAL A 35 -6.268 -0.660 0.920 1.00 10.12 H new ATOM 0 HG22 VAL A 35 -4.643 -0.449 0.225 1.00 10.12 H new ATOM 0 HG23 VAL A 35 -4.957 0.021 1.912 1.00 10.12 H new ATOM 566 N HIS A 36 -2.703 2.165 2.004 1.00 1.12 N ATOM 567 CA HIS A 36 -1.864 2.660 3.104 1.00 13.31 C ATOM 568 C HIS A 36 -0.827 3.632 2.511 1.00 23.11 C ATOM 569 O HIS A 36 0.382 3.380 2.525 1.00 65.35 O ATOM 570 CB HIS A 36 -1.286 1.490 3.934 1.00 12.33 C ATOM 571 CG HIS A 36 -1.076 1.788 5.407 1.00 45.43 C ATOM 572 ND1 HIS A 36 -0.682 2.997 5.933 1.00 72.25 N ATOM 573 CD2 HIS A 36 -1.188 0.911 6.459 1.00 52.23 C ATOM 574 CE1 HIS A 36 -0.513 2.852 7.250 1.00 24.33 C ATOM 575 NE2 HIS A 36 -0.808 1.595 7.622 1.00 32.10 N ATOM 0 H HIS A 36 -2.296 1.380 1.495 1.00 1.12 H new ATOM 0 HA HIS A 36 -2.445 3.224 3.833 1.00 13.31 H new ATOM 0 HB2 HIS A 36 -1.956 0.635 3.844 1.00 12.33 H new ATOM 0 HB3 HIS A 36 -0.331 1.193 3.499 1.00 12.33 H new ATOM 0 HD2 HIS A 36 -1.510 -0.118 6.400 1.00 52.23 H new ATOM 0 HE1 HIS A 36 -0.186 3.633 7.920 1.00 24.33 H new ATOM 0 HE2 HIS A 36 -0.764 1.213 8.567 1.00 32.10 H new ATOM 583 N SER A 37 -1.296 4.752 1.964 1.00 41.15 N ATOM 584 CA SER A 37 -0.499 5.747 1.271 1.00 73.31 C ATOM 585 C SER A 37 -0.487 7.027 2.113 1.00 5.50 C ATOM 586 O SER A 37 -1.357 7.883 1.921 1.00 41.33 O ATOM 587 CB SER A 37 -1.102 5.959 -0.118 1.00 45.31 C ATOM 588 OG SER A 37 -2.511 6.105 -0.040 1.00 73.21 O ATOM 0 H SER A 37 -2.286 4.996 1.996 1.00 41.15 H new ATOM 0 HA SER A 37 0.535 5.428 1.140 1.00 73.31 H new ATOM 0 HB2 SER A 37 -0.665 6.846 -0.577 1.00 45.31 H new ATOM 0 HB3 SER A 37 -0.855 5.113 -0.759 1.00 45.31 H new ATOM 0 HG SER A 37 -2.942 5.412 -0.582 1.00 73.21 H new ATOM 594 N PRO A 38 0.410 7.164 3.099 1.00 45.12 N ATOM 595 CA PRO A 38 0.545 8.380 3.870 1.00 73.13 C ATOM 596 C PRO A 38 1.122 9.452 2.951 1.00 65.05 C ATOM 597 O PRO A 38 2.188 9.259 2.348 1.00 11.14 O ATOM 598 CB PRO A 38 1.477 8.028 5.034 1.00 11.12 C ATOM 599 CG PRO A 38 2.335 6.899 4.499 1.00 62.21 C ATOM 600 CD PRO A 38 1.404 6.195 3.514 1.00 14.51 C ATOM 0 HA PRO A 38 -0.394 8.767 4.265 1.00 73.13 H new ATOM 0 HB2 PRO A 38 2.084 8.883 5.330 1.00 11.12 H new ATOM 0 HB3 PRO A 38 0.914 7.717 5.914 1.00 11.12 H new ATOM 0 HG2 PRO A 38 3.233 7.273 4.008 1.00 62.21 H new ATOM 0 HG3 PRO A 38 2.662 6.229 5.294 1.00 62.21 H new ATOM 0 HD2 PRO A 38 1.962 5.824 2.655 1.00 14.51 H new ATOM 0 HD3 PRO A 38 0.929 5.333 3.982 1.00 14.51 H new ATOM 608 N SER A 39 0.433 10.584 2.829 1.00 71.04 N ATOM 609 CA SER A 39 1.081 11.833 2.480 1.00 74.03 C ATOM 610 C SER A 39 2.169 12.031 3.529 1.00 12.12 C ATOM 611 O SER A 39 1.885 11.953 4.727 1.00 34.24 O ATOM 612 CB SER A 39 0.066 12.973 2.532 1.00 34.33 C ATOM 613 OG SER A 39 -1.057 12.695 1.709 1.00 61.22 O ATOM 0 H SER A 39 -0.575 10.656 2.968 1.00 71.04 H new ATOM 0 HA SER A 39 1.497 11.818 1.473 1.00 74.03 H new ATOM 0 HB2 SER A 39 -0.262 13.126 3.560 1.00 34.33 H new ATOM 0 HB3 SER A 39 0.538 13.900 2.207 1.00 34.33 H new ATOM 0 HG SER A 39 -1.693 13.439 1.761 1.00 61.22 H new ATOM 619 N ALA A 40 3.408 12.233 3.100 1.00 42.41 N ATOM 620 CA ALA A 40 4.522 12.448 4.010 1.00 70.12 C ATOM 621 C ALA A 40 4.718 13.944 4.278 1.00 32.24 C ATOM 622 O ALA A 40 5.677 14.326 4.957 1.00 53.22 O ATOM 623 CB ALA A 40 5.765 11.771 3.444 1.00 44.45 C ATOM 0 H ALA A 40 3.667 12.252 2.114 1.00 42.41 H new ATOM 0 HA ALA A 40 4.313 11.995 4.979 1.00 70.12 H new ATOM 0 HB1 ALA A 40 6.605 11.928 4.121 1.00 44.45 H new ATOM 0 HB2 ALA A 40 5.580 10.702 3.337 1.00 44.45 H new ATOM 0 HB3 ALA A 40 6.000 12.198 2.469 1.00 44.45 H new ATOM 629 N GLU A 41 3.826 14.802 3.777 1.00 63.12 N ATOM 630 CA GLU A 41 3.868 16.249 3.960 1.00 33.13 C ATOM 631 C GLU A 41 3.183 16.713 5.250 1.00 52.25 C ATOM 632 O GLU A 41 3.000 17.909 5.484 1.00 73.21 O ATOM 633 CB GLU A 41 3.213 16.953 2.754 1.00 13.50 C ATOM 634 CG GLU A 41 3.645 16.490 1.356 1.00 45.41 C ATOM 635 CD GLU A 41 2.919 15.234 0.849 1.00 13.14 C ATOM 636 OE1 GLU A 41 1.788 15.353 0.324 1.00 34.24 O ATOM 637 OE2 GLU A 41 3.504 14.130 1.001 1.00 50.42 O ATOM 0 H GLU A 41 3.031 14.496 3.216 1.00 63.12 H new ATOM 0 HA GLU A 41 4.921 16.521 4.037 1.00 33.13 H new ATOM 0 HB2 GLU A 41 2.133 16.827 2.834 1.00 13.50 H new ATOM 0 HB3 GLU A 41 3.416 18.021 2.834 1.00 13.50 H new ATOM 0 HG2 GLU A 41 3.476 17.302 0.649 1.00 45.41 H new ATOM 0 HG3 GLU A 41 4.717 16.295 1.367 1.00 45.41 H new ATOM 644 N VAL A 42 2.901 15.763 6.129 1.00 31.22 N ATOM 645 CA VAL A 42 2.053 15.933 7.301 1.00 5.43 C ATOM 646 C VAL A 42 2.951 16.346 8.458 1.00 13.40 C ATOM 647 O VAL A 42 2.983 17.524 8.804 1.00 14.33 O ATOM 648 CB VAL A 42 1.216 14.667 7.568 1.00 22.14 C ATOM 649 CG1 VAL A 42 0.274 14.909 8.752 1.00 44.13 C ATOM 650 CG2 VAL A 42 0.374 14.287 6.346 1.00 54.12 C ATOM 0 H VAL A 42 3.270 14.816 6.043 1.00 31.22 H new ATOM 0 HA VAL A 42 1.312 16.718 7.149 1.00 5.43 H new ATOM 0 HB VAL A 42 1.907 13.853 7.789 1.00 22.14 H new ATOM 0 HG11 VAL A 42 -0.316 14.011 8.937 1.00 44.13 H new ATOM 0 HG12 VAL A 42 0.859 15.148 9.640 1.00 44.13 H new ATOM 0 HG13 VAL A 42 -0.393 15.740 8.523 1.00 44.13 H new ATOM 0 HG21 VAL A 42 -0.204 13.390 6.567 1.00 54.12 H new ATOM 0 HG22 VAL A 42 -0.304 15.105 6.103 1.00 54.12 H new ATOM 0 HG23 VAL A 42 1.030 14.095 5.497 1.00 54.12 H new ATOM 660 N GLN A 43 3.756 15.417 8.984 1.00 11.23 N ATOM 661 CA GLN A 43 4.806 15.703 9.958 1.00 24.20 C ATOM 662 C GLN A 43 4.199 16.396 11.187 1.00 70.35 C ATOM 663 O GLN A 43 4.635 17.476 11.603 1.00 12.44 O ATOM 664 CB GLN A 43 5.943 16.488 9.274 1.00 51.54 C ATOM 665 CG GLN A 43 6.507 15.767 8.027 1.00 21.41 C ATOM 666 CD GLN A 43 7.041 16.706 6.944 1.00 32.10 C ATOM 667 OE1 GLN A 43 8.182 16.602 6.503 1.00 32.30 O ATOM 668 NE2 GLN A 43 6.231 17.635 6.456 1.00 10.22 N ATOM 0 H GLN A 43 3.692 14.429 8.738 1.00 11.23 H new ATOM 0 HA GLN A 43 5.259 14.784 10.331 1.00 24.20 H new ATOM 0 HB2 GLN A 43 5.575 17.472 8.983 1.00 51.54 H new ATOM 0 HB3 GLN A 43 6.749 16.648 9.990 1.00 51.54 H new ATOM 0 HG2 GLN A 43 7.309 15.099 8.340 1.00 21.41 H new ATOM 0 HG3 GLN A 43 5.723 15.144 7.597 1.00 21.41 H new ATOM 0 HE21 GLN A 43 5.282 17.726 6.819 1.00 10.22 H new ATOM 0 HE22 GLN A 43 6.557 18.259 5.718 1.00 10.22 H new ATOM 677 N GLY A 44 3.158 15.778 11.753 1.00 54.53 N ATOM 678 CA GLY A 44 2.500 16.324 12.927 1.00 33.11 C ATOM 679 C GLY A 44 1.330 15.537 13.517 1.00 32.11 C ATOM 680 O GLY A 44 0.927 15.890 14.625 1.00 70.13 O ATOM 0 H GLY A 44 2.759 14.903 11.413 1.00 54.53 H new ATOM 0 HA2 GLY A 44 3.251 16.443 13.708 1.00 33.11 H new ATOM 0 HA3 GLY A 44 2.140 17.322 12.676 1.00 33.11 H new ATOM 684 N HIS A 45 0.769 14.530 12.844 1.00 63.05 N ATOM 685 CA HIS A 45 -0.221 13.551 13.339 1.00 74.34 C ATOM 686 C HIS A 45 -0.636 12.654 12.162 1.00 43.25 C ATOM 687 O HIS A 45 -0.069 12.784 11.077 1.00 71.15 O ATOM 688 CB HIS A 45 -1.475 14.161 14.010 1.00 4.31 C ATOM 689 CG HIS A 45 -2.281 15.054 13.110 1.00 33.13 C ATOM 690 ND1 HIS A 45 -3.307 14.686 12.275 1.00 51.22 N ATOM 691 CD2 HIS A 45 -2.091 16.391 12.968 1.00 62.32 C ATOM 692 CE1 HIS A 45 -3.693 15.780 11.601 1.00 70.02 C ATOM 693 NE2 HIS A 45 -2.994 16.855 12.006 1.00 61.02 N ATOM 0 H HIS A 45 1.007 14.359 11.867 1.00 63.05 H new ATOM 0 HA HIS A 45 0.268 12.987 14.134 1.00 74.34 H new ATOM 0 HB2 HIS A 45 -2.113 13.352 14.366 1.00 4.31 H new ATOM 0 HB3 HIS A 45 -1.164 14.731 14.885 1.00 4.31 H new ATOM 0 HD1 HIS A 45 -3.704 13.751 12.184 1.00 51.22 H new ATOM 0 HD2 HIS A 45 -1.370 16.990 13.504 1.00 62.32 H new ATOM 0 HE1 HIS A 45 -4.458 15.795 10.839 1.00 70.02 H new ATOM 701 N GLY A 46 -1.630 11.781 12.344 1.00 65.23 N ATOM 702 CA GLY A 46 -2.413 11.178 11.268 1.00 21.01 C ATOM 703 C GLY A 46 -3.888 11.565 11.453 1.00 22.10 C ATOM 704 O GLY A 46 -4.278 12.051 12.519 1.00 41.55 O ATOM 0 H GLY A 46 -1.919 11.467 13.271 1.00 65.23 H new ATOM 0 HA2 GLY A 46 -2.051 11.522 10.299 1.00 21.01 H new ATOM 0 HA3 GLY A 46 -2.303 10.094 11.283 1.00 21.01 H new ATOM 708 N ASN A 47 -4.715 11.401 10.421 1.00 72.15 N ATOM 709 CA ASN A 47 -6.135 11.765 10.371 1.00 54.12 C ATOM 710 C ASN A 47 -6.890 10.706 9.565 1.00 44.15 C ATOM 711 O ASN A 47 -6.253 10.072 8.722 1.00 52.32 O ATOM 712 CB ASN A 47 -6.300 13.157 9.724 1.00 70.13 C ATOM 713 CG ASN A 47 -5.676 13.248 8.336 1.00 41.11 C ATOM 714 OD1 ASN A 47 -4.467 13.425 8.235 1.00 44.44 O ATOM 715 ND2 ASN A 47 -6.420 13.079 7.257 1.00 53.51 N ATOM 0 H ASN A 47 -4.395 10.987 9.545 1.00 72.15 H new ATOM 0 HA ASN A 47 -6.542 11.808 11.381 1.00 54.12 H new ATOM 0 HB2 ASN A 47 -7.361 13.396 9.655 1.00 70.13 H new ATOM 0 HB3 ASN A 47 -5.846 13.908 10.370 1.00 70.13 H new ATOM 0 HD21 ASN A 47 -5.989 13.095 6.333 1.00 53.51 H new ATOM 0 HD22 ASN A 47 -7.425 12.932 7.349 1.00 53.51 H new ATOM 722 N PRO A 48 -8.203 10.515 9.774 1.00 31.31 N ATOM 723 CA PRO A 48 -8.937 9.427 9.156 1.00 4.14 C ATOM 724 C PRO A 48 -9.091 9.690 7.664 1.00 1.43 C ATOM 725 O PRO A 48 -9.771 10.649 7.269 1.00 54.42 O ATOM 726 CB PRO A 48 -10.264 9.306 9.901 1.00 12.14 C ATOM 727 CG PRO A 48 -10.457 10.701 10.476 1.00 33.24 C ATOM 728 CD PRO A 48 -9.040 11.198 10.739 1.00 10.32 C ATOM 0 HA PRO A 48 -8.413 8.474 9.230 1.00 4.14 H new ATOM 0 HB2 PRO A 48 -11.079 9.028 9.233 1.00 12.14 H new ATOM 0 HB3 PRO A 48 -10.221 8.548 10.684 1.00 12.14 H new ATOM 0 HG2 PRO A 48 -10.983 11.351 9.776 1.00 33.24 H new ATOM 0 HG3 PRO A 48 -11.046 10.676 11.393 1.00 33.24 H new ATOM 0 HD2 PRO A 48 -8.975 12.279 10.619 1.00 10.32 H new ATOM 0 HD3 PRO A 48 -8.728 10.972 11.759 1.00 10.32 H new ATOM 736 N VAL A 49 -8.472 8.839 6.853 1.00 64.42 N ATOM 737 CA VAL A 49 -8.385 8.948 5.412 1.00 71.44 C ATOM 738 C VAL A 49 -8.796 7.621 4.791 1.00 45.34 C ATOM 739 O VAL A 49 -8.498 6.557 5.332 1.00 54.23 O ATOM 740 CB VAL A 49 -6.970 9.422 5.066 1.00 61.44 C ATOM 741 CG1 VAL A 49 -5.849 8.528 5.620 1.00 12.31 C ATOM 742 CG2 VAL A 49 -6.772 9.727 3.570 1.00 13.54 C ATOM 0 H VAL A 49 -7.993 8.012 7.209 1.00 64.42 H new ATOM 0 HA VAL A 49 -9.071 9.685 4.994 1.00 71.44 H new ATOM 0 HB VAL A 49 -6.880 10.371 5.594 1.00 61.44 H new ATOM 0 HG11 VAL A 49 -4.881 8.936 5.329 1.00 12.31 H new ATOM 0 HG12 VAL A 49 -5.916 8.493 6.707 1.00 12.31 H new ATOM 0 HG13 VAL A 49 -5.954 7.521 5.217 1.00 12.31 H new ATOM 0 HG21 VAL A 49 -5.747 10.057 3.398 1.00 13.54 H new ATOM 0 HG22 VAL A 49 -6.966 8.827 2.986 1.00 13.54 H new ATOM 0 HG23 VAL A 49 -7.462 10.513 3.264 1.00 13.54 H new ATOM 752 N LEU A 50 -9.451 7.688 3.633 1.00 14.34 N ATOM 753 CA LEU A 50 -10.046 6.569 2.947 1.00 72.43 C ATOM 754 C LEU A 50 -9.627 6.614 1.476 1.00 11.32 C ATOM 755 O LEU A 50 -9.420 7.695 0.915 1.00 71.43 O ATOM 756 CB LEU A 50 -11.568 6.681 3.101 1.00 13.23 C ATOM 757 CG LEU A 50 -12.289 5.372 3.376 1.00 32.32 C ATOM 758 CD1 LEU A 50 -11.988 4.328 2.335 1.00 64.04 C ATOM 759 CD2 LEU A 50 -12.002 4.823 4.770 1.00 50.23 C ATOM 0 H LEU A 50 -9.581 8.568 3.135 1.00 14.34 H new ATOM 0 HA LEU A 50 -9.715 5.618 3.364 1.00 72.43 H new ATOM 0 HB2 LEU A 50 -11.785 7.374 3.914 1.00 13.23 H new ATOM 0 HB3 LEU A 50 -11.978 7.119 2.191 1.00 13.23 H new ATOM 0 HG LEU A 50 -13.352 5.609 3.325 1.00 32.32 H new ATOM 0 HD11 LEU A 50 -12.526 3.410 2.574 1.00 64.04 H new ATOM 0 HD12 LEU A 50 -12.303 4.689 1.356 1.00 64.04 H new ATOM 0 HD13 LEU A 50 -10.917 4.128 2.320 1.00 64.04 H new ATOM 0 HD21 LEU A 50 -12.543 3.887 4.911 1.00 50.23 H new ATOM 0 HD22 LEU A 50 -10.932 4.643 4.877 1.00 50.23 H new ATOM 0 HD23 LEU A 50 -12.325 5.546 5.519 1.00 50.23 H new ATOM 771 N GLN A 51 -9.485 5.442 0.858 1.00 31.34 N ATOM 772 CA GLN A 51 -8.825 5.254 -0.430 1.00 42.51 C ATOM 773 C GLN A 51 -9.617 4.275 -1.307 1.00 65.25 C ATOM 774 O GLN A 51 -9.110 3.265 -1.802 1.00 52.35 O ATOM 775 CB GLN A 51 -7.381 4.777 -0.223 1.00 4.50 C ATOM 776 CG GLN A 51 -6.546 5.582 0.784 1.00 45.42 C ATOM 777 CD GLN A 51 -6.907 5.294 2.240 1.00 24.21 C ATOM 778 OE1 GLN A 51 -7.501 4.273 2.575 1.00 2.31 O ATOM 779 NE2 GLN A 51 -6.660 6.248 3.112 1.00 51.25 N ATOM 0 H GLN A 51 -9.838 4.571 1.254 1.00 31.34 H new ATOM 0 HA GLN A 51 -8.793 6.211 -0.951 1.00 42.51 H new ATOM 0 HB2 GLN A 51 -7.406 3.737 0.104 1.00 4.50 H new ATOM 0 HB3 GLN A 51 -6.871 4.796 -1.186 1.00 4.50 H new ATOM 0 HG2 GLN A 51 -5.490 5.360 0.629 1.00 45.42 H new ATOM 0 HG3 GLN A 51 -6.680 6.646 0.588 1.00 45.42 H new ATOM 0 HE21 GLN A 51 -6.165 7.091 2.819 1.00 51.25 H new ATOM 0 HE22 GLN A 51 -6.963 6.145 4.080 1.00 51.25 H new ATOM 788 N TYR A 52 -10.901 4.570 -1.463 1.00 42.44 N ATOM 789 CA TYR A 52 -11.825 3.842 -2.322 1.00 52.13 C ATOM 790 C TYR A 52 -11.566 4.154 -3.800 1.00 11.23 C ATOM 791 O TYR A 52 -10.679 4.940 -4.145 1.00 21.31 O ATOM 792 CB TYR A 52 -13.265 4.191 -1.930 1.00 70.15 C ATOM 793 CG TYR A 52 -13.606 5.662 -2.028 1.00 44.21 C ATOM 794 CD1 TYR A 52 -13.212 6.577 -1.032 1.00 64.25 C ATOM 795 CD2 TYR A 52 -14.353 6.105 -3.134 1.00 5.50 C ATOM 796 CE1 TYR A 52 -13.646 7.910 -1.103 1.00 42.14 C ATOM 797 CE2 TYR A 52 -14.783 7.435 -3.211 1.00 21.33 C ATOM 798 CZ TYR A 52 -14.455 8.342 -2.176 1.00 32.41 C ATOM 799 OH TYR A 52 -14.954 9.607 -2.151 1.00 64.42 O ATOM 0 H TYR A 52 -11.343 5.351 -0.977 1.00 42.44 H new ATOM 0 HA TYR A 52 -11.668 2.772 -2.185 1.00 52.13 H new ATOM 0 HB2 TYR A 52 -13.947 3.630 -2.568 1.00 70.15 H new ATOM 0 HB3 TYR A 52 -13.440 3.858 -0.907 1.00 70.15 H new ATOM 0 HD1 TYR A 52 -12.579 6.255 -0.218 1.00 64.25 H new ATOM 0 HD2 TYR A 52 -14.596 5.415 -3.929 1.00 5.50 H new ATOM 0 HE1 TYR A 52 -13.359 8.610 -0.332 1.00 42.14 H new ATOM 0 HE2 TYR A 52 -15.364 7.768 -4.059 1.00 21.33 H new ATOM 0 HH TYR A 52 -15.491 9.763 -2.956 1.00 64.42 H new ATOM 809 N GLY A 53 -12.374 3.555 -4.671 1.00 61.42 N ATOM 810 CA GLY A 53 -12.310 3.654 -6.122 1.00 31.23 C ATOM 811 C GLY A 53 -11.025 3.082 -6.722 1.00 54.51 C ATOM 812 O GLY A 53 -10.779 3.301 -7.905 1.00 70.44 O ATOM 0 H GLY A 53 -13.136 2.952 -4.361 1.00 61.42 H new ATOM 0 HA2 GLY A 53 -13.165 3.131 -6.551 1.00 31.23 H new ATOM 0 HA3 GLY A 53 -12.400 4.701 -6.410 1.00 31.23 H new ATOM 816 N LYS A 54 -10.179 2.406 -5.936 1.00 65.15 N ATOM 817 CA LYS A 54 -8.822 1.973 -6.273 1.00 73.24 C ATOM 818 C LYS A 54 -8.758 0.446 -6.111 1.00 43.35 C ATOM 819 O LYS A 54 -7.838 -0.067 -5.479 1.00 5.51 O ATOM 820 CB LYS A 54 -7.815 2.757 -5.386 1.00 21.02 C ATOM 821 CG LYS A 54 -7.295 4.098 -5.943 1.00 41.35 C ATOM 822 CD LYS A 54 -8.302 4.926 -6.752 1.00 11.30 C ATOM 823 CE LYS A 54 -7.829 6.355 -7.035 1.00 43.23 C ATOM 824 NZ LYS A 54 -8.233 6.790 -8.389 1.00 25.43 N ATOM 0 H LYS A 54 -10.442 2.131 -4.990 1.00 65.15 H new ATOM 0 HA LYS A 54 -8.551 2.193 -7.306 1.00 73.24 H new ATOM 0 HB2 LYS A 54 -8.289 2.950 -4.423 1.00 21.02 H new ATOM 0 HB3 LYS A 54 -6.957 2.113 -5.196 1.00 21.02 H new ATOM 0 HG2 LYS A 54 -6.944 4.704 -5.108 1.00 41.35 H new ATOM 0 HG3 LYS A 54 -6.430 3.895 -6.575 1.00 41.35 H new ATOM 0 HD2 LYS A 54 -8.498 4.422 -7.699 1.00 11.30 H new ATOM 0 HD3 LYS A 54 -9.247 4.965 -6.210 1.00 11.30 H new ATOM 0 HE2 LYS A 54 -8.247 7.034 -6.292 1.00 43.23 H new ATOM 0 HE3 LYS A 54 -6.744 6.408 -6.941 1.00 43.23 H new ATOM 0 HZ1 LYS A 54 -8.100 7.818 -8.477 1.00 25.43 H new ATOM 0 HZ2 LYS A 54 -7.649 6.303 -9.099 1.00 25.43 H new ATOM 0 HZ3 LYS A 54 -9.234 6.556 -8.545 1.00 25.43 H new ATOM 838 N LEU A 55 -9.740 -0.293 -6.633 1.00 50.11 N ATOM 839 CA LEU A 55 -9.690 -1.752 -6.745 1.00 53.52 C ATOM 840 C LEU A 55 -8.688 -2.165 -7.816 1.00 41.35 C ATOM 841 O LEU A 55 -7.934 -3.115 -7.632 1.00 42.31 O ATOM 842 CB LEU A 55 -11.087 -2.309 -7.100 1.00 44.13 C ATOM 843 CG LEU A 55 -11.170 -3.847 -7.094 1.00 53.41 C ATOM 844 CD1 LEU A 55 -10.743 -4.445 -5.750 1.00 54.34 C ATOM 845 CD2 LEU A 55 -12.628 -4.243 -7.329 1.00 45.25 C ATOM 0 H LEU A 55 -10.604 0.111 -6.995 1.00 50.11 H new ATOM 0 HA LEU A 55 -9.375 -2.161 -5.785 1.00 53.52 H new ATOM 0 HB2 LEU A 55 -11.815 -1.914 -6.392 1.00 44.13 H new ATOM 0 HB3 LEU A 55 -11.372 -1.944 -8.087 1.00 44.13 H new ATOM 0 HG LEU A 55 -10.502 -4.223 -7.869 1.00 53.41 H new ATOM 0 HD11 LEU A 55 -10.818 -5.531 -5.795 1.00 54.34 H new ATOM 0 HD12 LEU A 55 -9.712 -4.161 -5.537 1.00 54.34 H new ATOM 0 HD13 LEU A 55 -11.394 -4.068 -4.961 1.00 54.34 H new ATOM 0 HD21 LEU A 55 -12.714 -5.330 -7.329 1.00 45.25 H new ATOM 0 HD22 LEU A 55 -13.250 -3.830 -6.535 1.00 45.25 H new ATOM 0 HD23 LEU A 55 -12.961 -3.852 -8.291 1.00 45.25 H new ATOM 857 N ASN A 56 -8.684 -1.459 -8.947 1.00 14.11 N ATOM 858 CA ASN A 56 -8.007 -1.897 -10.163 1.00 51.53 C ATOM 859 C ASN A 56 -6.755 -1.067 -10.439 1.00 33.14 C ATOM 860 O ASN A 56 -6.206 -1.145 -11.537 1.00 52.45 O ATOM 861 CB ASN A 56 -8.992 -1.918 -11.346 1.00 24.13 C ATOM 862 CG ASN A 56 -10.185 -2.836 -11.092 1.00 10.53 C ATOM 863 OD1 ASN A 56 -10.024 -3.989 -10.683 1.00 43.34 O ATOM 864 ND2 ASN A 56 -11.397 -2.345 -11.304 1.00 32.04 N ATOM 0 H ASN A 56 -9.155 -0.560 -9.043 1.00 14.11 H new ATOM 0 HA ASN A 56 -7.657 -2.919 -10.020 1.00 51.53 H new ATOM 0 HB2 ASN A 56 -9.349 -0.906 -11.536 1.00 24.13 H new ATOM 0 HB3 ASN A 56 -8.470 -2.246 -12.245 1.00 24.13 H new ATOM 0 HD21 ASN A 56 -12.219 -2.923 -11.129 1.00 32.04 H new ATOM 0 HD22 ASN A 56 -11.508 -1.389 -11.642 1.00 32.04 H new ATOM 871 N VAL A 57 -6.304 -0.276 -9.458 1.00 30.42 N ATOM 872 CA VAL A 57 -5.066 0.487 -9.530 1.00 62.21 C ATOM 873 C VAL A 57 -3.899 -0.422 -9.874 1.00 54.21 C ATOM 874 O VAL A 57 -3.719 -1.484 -9.277 1.00 23.44 O ATOM 875 CB VAL A 57 -4.798 1.288 -8.237 1.00 2.22 C ATOM 876 CG1 VAL A 57 -4.895 0.433 -6.970 1.00 70.12 C ATOM 877 CG2 VAL A 57 -3.398 1.938 -8.241 1.00 32.13 C ATOM 0 H VAL A 57 -6.804 -0.150 -8.578 1.00 30.42 H new ATOM 0 HA VAL A 57 -5.177 1.219 -10.330 1.00 62.21 H new ATOM 0 HB VAL A 57 -5.577 2.050 -8.222 1.00 2.22 H new ATOM 0 HG11 VAL A 57 -4.696 1.054 -6.096 1.00 70.12 H new ATOM 0 HG12 VAL A 57 -5.896 0.008 -6.894 1.00 70.12 H new ATOM 0 HG13 VAL A 57 -4.162 -0.372 -7.017 1.00 70.12 H new ATOM 0 HG21 VAL A 57 -3.251 2.491 -7.314 1.00 32.13 H new ATOM 0 HG22 VAL A 57 -2.637 1.162 -8.325 1.00 32.13 H new ATOM 0 HG23 VAL A 57 -3.316 2.620 -9.087 1.00 32.13 H new ATOM 887 N GLY A 58 -3.035 0.072 -10.755 1.00 44.35 N ATOM 888 CA GLY A 58 -1.788 -0.576 -11.051 1.00 11.40 C ATOM 889 C GLY A 58 -0.600 0.300 -10.693 1.00 54.14 C ATOM 890 O GLY A 58 -0.581 1.500 -10.983 1.00 42.55 O ATOM 0 H GLY A 58 -3.191 0.934 -11.278 1.00 44.35 H new ATOM 0 HA2 GLY A 58 -1.726 -1.515 -10.501 1.00 11.40 H new ATOM 0 HA3 GLY A 58 -1.750 -0.825 -12.112 1.00 11.40 H new ATOM 894 N LEU A 59 0.422 -0.341 -10.127 1.00 3.23 N ATOM 895 CA LEU A 59 1.774 0.194 -10.039 1.00 13.31 C ATOM 896 C LEU A 59 2.308 0.422 -11.444 1.00 34.30 C ATOM 897 O LEU A 59 2.094 -0.406 -12.330 1.00 64.11 O ATOM 898 CB LEU A 59 2.706 -0.814 -9.334 1.00 42.14 C ATOM 899 CG LEU A 59 3.430 -0.310 -8.083 1.00 43.11 C ATOM 900 CD1 LEU A 59 4.476 0.732 -8.462 1.00 42.44 C ATOM 901 CD2 LEU A 59 2.437 0.222 -7.056 1.00 10.10 C ATOM 0 H LEU A 59 0.328 -1.267 -9.709 1.00 3.23 H new ATOM 0 HA LEU A 59 1.745 1.126 -9.474 1.00 13.31 H new ATOM 0 HB2 LEU A 59 2.117 -1.689 -9.059 1.00 42.14 H new ATOM 0 HB3 LEU A 59 3.456 -1.147 -10.052 1.00 42.14 H new ATOM 0 HG LEU A 59 3.951 -1.146 -7.617 1.00 43.11 H new ATOM 0 HD11 LEU A 59 4.983 1.082 -7.563 1.00 42.44 H new ATOM 0 HD12 LEU A 59 5.204 0.287 -9.140 1.00 42.44 H new ATOM 0 HD13 LEU A 59 3.989 1.574 -8.955 1.00 42.44 H new ATOM 0 HD21 LEU A 59 2.976 0.574 -6.177 1.00 10.10 H new ATOM 0 HD22 LEU A 59 1.872 1.047 -7.490 1.00 10.10 H new ATOM 0 HD23 LEU A 59 1.751 -0.574 -6.766 1.00 10.10 H new ATOM 913 N VAL A 60 3.083 1.486 -11.605 1.00 51.11 N ATOM 914 CA VAL A 60 3.661 1.888 -12.879 1.00 5.50 C ATOM 915 C VAL A 60 5.187 1.787 -12.828 1.00 51.41 C ATOM 916 O VAL A 60 5.798 1.282 -13.779 1.00 63.24 O ATOM 917 CB VAL A 60 3.123 3.279 -13.285 1.00 45.15 C ATOM 918 CG1 VAL A 60 1.874 3.090 -14.149 1.00 2.14 C ATOM 919 CG2 VAL A 60 2.766 4.193 -12.109 1.00 51.12 C ATOM 0 H VAL A 60 3.333 2.107 -10.836 1.00 51.11 H new ATOM 0 HA VAL A 60 3.352 1.205 -13.670 1.00 5.50 H new ATOM 0 HB VAL A 60 3.933 3.772 -13.823 1.00 45.15 H new ATOM 0 HG11 VAL A 60 1.484 4.064 -14.443 1.00 2.14 H new ATOM 0 HG12 VAL A 60 2.132 2.519 -15.041 1.00 2.14 H new ATOM 0 HG13 VAL A 60 1.116 2.552 -13.580 1.00 2.14 H new ATOM 0 HG21 VAL A 60 2.398 5.146 -12.488 1.00 51.12 H new ATOM 0 HG22 VAL A 60 1.993 3.721 -11.502 1.00 51.12 H new ATOM 0 HG23 VAL A 60 3.653 4.364 -11.498 1.00 51.12 H new ATOM 929 N GLY A 61 5.786 2.186 -11.707 1.00 31.42 N ATOM 930 CA GLY A 61 7.226 2.208 -11.485 1.00 65.45 C ATOM 931 C GLY A 61 7.514 2.734 -10.089 1.00 51.41 C ATOM 932 O GLY A 61 6.581 3.174 -9.420 1.00 21.42 O ATOM 0 H GLY A 61 5.258 2.515 -10.899 1.00 31.42 H new ATOM 0 HA2 GLY A 61 7.638 1.205 -11.600 1.00 65.45 H new ATOM 0 HA3 GLY A 61 7.710 2.839 -12.230 1.00 65.45 H new ATOM 936 N VAL A 62 8.763 2.634 -9.625 1.00 30.34 N ATOM 937 CA VAL A 62 9.186 2.996 -8.276 1.00 2.34 C ATOM 938 C VAL A 62 10.716 2.866 -8.174 1.00 44.30 C ATOM 939 O VAL A 62 11.281 1.882 -8.659 1.00 72.21 O ATOM 940 CB VAL A 62 8.392 2.136 -7.264 1.00 31.24 C ATOM 941 CG1 VAL A 62 8.373 0.638 -7.575 1.00 13.25 C ATOM 942 CG2 VAL A 62 8.715 2.297 -5.779 1.00 4.53 C ATOM 0 H VAL A 62 9.530 2.287 -10.200 1.00 30.34 H new ATOM 0 HA VAL A 62 8.962 4.036 -8.037 1.00 2.34 H new ATOM 0 HB VAL A 62 7.407 2.576 -7.422 1.00 31.24 H new ATOM 0 HG11 VAL A 62 7.794 0.116 -6.813 1.00 13.25 H new ATOM 0 HG12 VAL A 62 7.918 0.475 -8.552 1.00 13.25 H new ATOM 0 HG13 VAL A 62 9.393 0.255 -7.581 1.00 13.25 H new ATOM 0 HG21 VAL A 62 8.080 1.632 -5.194 1.00 4.53 H new ATOM 0 HG22 VAL A 62 9.761 2.046 -5.605 1.00 4.53 H new ATOM 0 HG23 VAL A 62 8.535 3.329 -5.477 1.00 4.53 H new ATOM 952 N GLU A 63 11.397 3.853 -7.577 1.00 71.23 N ATOM 953 CA GLU A 63 12.848 3.901 -7.400 1.00 62.04 C ATOM 954 C GLU A 63 13.293 4.639 -6.132 1.00 32.22 C ATOM 955 O GLU A 63 12.567 5.500 -5.636 1.00 71.41 O ATOM 956 CB GLU A 63 13.505 4.609 -8.596 1.00 23.34 C ATOM 957 CG GLU A 63 13.869 3.597 -9.681 1.00 62.11 C ATOM 958 CD GLU A 63 15.243 3.906 -10.293 1.00 70.40 C ATOM 959 OE1 GLU A 63 15.330 4.789 -11.177 1.00 42.43 O ATOM 960 OE2 GLU A 63 16.251 3.306 -9.832 1.00 23.11 O ATOM 0 H GLU A 63 10.929 4.672 -7.189 1.00 71.23 H new ATOM 0 HA GLU A 63 13.162 2.861 -7.318 1.00 62.04 H new ATOM 0 HB2 GLU A 63 12.825 5.358 -9.002 1.00 23.34 H new ATOM 0 HB3 GLU A 63 14.400 5.137 -8.267 1.00 23.34 H new ATOM 0 HG2 GLU A 63 13.875 2.593 -9.258 1.00 62.11 H new ATOM 0 HG3 GLU A 63 13.109 3.609 -10.462 1.00 62.11 H new ATOM 967 N PRO A 64 14.510 4.351 -5.634 1.00 71.03 N ATOM 968 CA PRO A 64 15.057 4.917 -4.408 1.00 12.51 C ATOM 969 C PRO A 64 15.034 6.449 -4.409 1.00 71.20 C ATOM 970 O PRO A 64 15.338 7.093 -5.417 1.00 45.22 O ATOM 971 CB PRO A 64 16.477 4.351 -4.277 1.00 54.11 C ATOM 972 CG PRO A 64 16.803 3.735 -5.623 1.00 70.31 C ATOM 973 CD PRO A 64 15.442 3.394 -6.206 1.00 73.23 C ATOM 0 HA PRO A 64 14.448 4.641 -3.547 1.00 12.51 H new ATOM 0 HB2 PRO A 64 17.189 5.137 -4.024 1.00 54.11 H new ATOM 0 HB3 PRO A 64 16.529 3.606 -3.483 1.00 54.11 H new ATOM 0 HG2 PRO A 64 17.348 4.432 -6.260 1.00 70.31 H new ATOM 0 HG3 PRO A 64 17.426 2.847 -5.516 1.00 70.31 H new ATOM 0 HD2 PRO A 64 15.455 3.464 -7.294 1.00 73.23 H new ATOM 0 HD3 PRO A 64 15.155 2.373 -5.956 1.00 73.23 H new ATOM 981 N ALA A 65 14.698 7.038 -3.262 1.00 23.12 N ATOM 982 CA ALA A 65 14.601 8.468 -3.021 1.00 32.32 C ATOM 983 C ALA A 65 15.533 8.877 -1.872 1.00 52.54 C ATOM 984 O ALA A 65 15.080 9.407 -0.853 1.00 70.11 O ATOM 985 CB ALA A 65 13.140 8.819 -2.748 1.00 72.24 C ATOM 0 H ALA A 65 14.474 6.493 -2.430 1.00 23.12 H new ATOM 0 HA ALA A 65 14.926 9.029 -3.897 1.00 32.32 H new ATOM 0 HB1 ALA A 65 13.051 9.890 -2.565 1.00 72.24 H new ATOM 0 HB2 ALA A 65 12.533 8.547 -3.611 1.00 72.24 H new ATOM 0 HB3 ALA A 65 12.792 8.271 -1.872 1.00 72.24 H new ATOM 991 N GLY A 66 16.834 8.611 -2.009 1.00 4.22 N ATOM 992 CA GLY A 66 17.838 8.943 -1.009 1.00 5.32 C ATOM 993 C GLY A 66 18.496 7.691 -0.437 1.00 12.22 C ATOM 994 O GLY A 66 18.930 6.814 -1.193 1.00 21.13 O ATOM 0 H GLY A 66 17.221 8.151 -2.833 1.00 4.22 H new ATOM 0 HA2 GLY A 66 18.599 9.583 -1.455 1.00 5.32 H new ATOM 0 HA3 GLY A 66 17.375 9.512 -0.203 1.00 5.32 H new ATOM 998 N GLN A 67 18.569 7.595 0.895 1.00 10.15 N ATOM 999 CA GLN A 67 19.236 6.501 1.617 1.00 43.12 C ATOM 1000 C GLN A 67 18.364 5.934 2.754 1.00 5.43 C ATOM 1001 O GLN A 67 18.876 5.295 3.679 1.00 52.33 O ATOM 1002 CB GLN A 67 20.629 6.954 2.101 1.00 24.22 C ATOM 1003 CG GLN A 67 21.472 7.535 0.959 1.00 4.11 C ATOM 1004 CD GLN A 67 22.938 7.724 1.335 1.00 64.20 C ATOM 1005 OE1 GLN A 67 23.772 6.857 1.087 1.00 32.22 O ATOM 1006 NE2 GLN A 67 23.310 8.894 1.822 1.00 61.22 N ATOM 0 H GLN A 67 18.157 8.291 1.517 1.00 10.15 H new ATOM 0 HA GLN A 67 19.380 5.673 0.923 1.00 43.12 H new ATOM 0 HB2 GLN A 67 20.515 7.703 2.885 1.00 24.22 H new ATOM 0 HB3 GLN A 67 21.153 6.107 2.544 1.00 24.22 H new ATOM 0 HG2 GLN A 67 21.407 6.874 0.095 1.00 4.11 H new ATOM 0 HG3 GLN A 67 21.053 8.495 0.658 1.00 4.11 H new ATOM 0 HE21 GLN A 67 22.610 9.608 2.025 1.00 61.22 H new ATOM 0 HE22 GLN A 67 24.297 9.084 1.995 1.00 61.22 H new ATOM 1015 N TYR A 68 17.058 6.216 2.740 1.00 33.33 N ATOM 1016 CA TYR A 68 16.116 5.808 3.784 1.00 13.52 C ATOM 1017 C TYR A 68 14.656 5.726 3.300 1.00 42.41 C ATOM 1018 O TYR A 68 13.785 5.382 4.102 1.00 4.44 O ATOM 1019 CB TYR A 68 16.259 6.763 4.986 1.00 50.11 C ATOM 1020 CG TYR A 68 16.518 8.212 4.614 1.00 54.23 C ATOM 1021 CD1 TYR A 68 15.448 9.060 4.280 1.00 74.12 C ATOM 1022 CD2 TYR A 68 17.843 8.673 4.495 1.00 25.33 C ATOM 1023 CE1 TYR A 68 15.699 10.362 3.818 1.00 14.11 C ATOM 1024 CE2 TYR A 68 18.104 9.961 4.006 1.00 45.23 C ATOM 1025 CZ TYR A 68 17.028 10.816 3.674 1.00 44.21 C ATOM 1026 OH TYR A 68 17.291 12.049 3.161 1.00 74.33 O ATOM 0 H TYR A 68 16.618 6.745 1.987 1.00 33.33 H new ATOM 0 HA TYR A 68 16.371 4.791 4.082 1.00 13.52 H new ATOM 0 HB2 TYR A 68 15.349 6.712 5.584 1.00 50.11 H new ATOM 0 HB3 TYR A 68 17.075 6.412 5.617 1.00 50.11 H new ATOM 0 HD1 TYR A 68 14.431 8.710 4.379 1.00 74.12 H new ATOM 0 HD2 TYR A 68 18.663 8.031 4.782 1.00 25.33 H new ATOM 0 HE1 TYR A 68 14.875 11.016 3.573 1.00 14.11 H new ATOM 0 HE2 TYR A 68 19.123 10.298 3.883 1.00 45.23 H new ATOM 0 HH TYR A 68 18.260 12.193 3.136 1.00 74.33 H new ATOM 1036 N ALA A 69 14.371 6.051 2.032 1.00 23.43 N ATOM 1037 CA ALA A 69 13.034 6.334 1.510 1.00 21.33 C ATOM 1038 C ALA A 69 12.917 5.868 0.050 1.00 3.24 C ATOM 1039 O ALA A 69 13.936 5.526 -0.556 1.00 11.44 O ATOM 1040 CB ALA A 69 12.807 7.845 1.638 1.00 33.40 C ATOM 0 H ALA A 69 15.095 6.126 1.317 1.00 23.43 H new ATOM 0 HA ALA A 69 12.272 5.794 2.073 1.00 21.33 H new ATOM 0 HB1 ALA A 69 11.817 8.098 1.258 1.00 33.40 H new ATOM 0 HB2 ALA A 69 12.879 8.136 2.686 1.00 33.40 H new ATOM 0 HB3 ALA A 69 13.564 8.377 1.061 1.00 33.40 H new ATOM 1046 N LEU A 70 11.706 5.866 -0.518 1.00 74.43 N ATOM 1047 CA LEU A 70 11.382 5.277 -1.819 1.00 12.31 C ATOM 1048 C LEU A 70 10.351 6.144 -2.555 1.00 1.22 C ATOM 1049 O LEU A 70 9.311 6.481 -1.996 1.00 23.12 O ATOM 1050 CB LEU A 70 10.809 3.869 -1.574 1.00 62.30 C ATOM 1051 CG LEU A 70 10.403 3.103 -2.839 1.00 30.32 C ATOM 1052 CD1 LEU A 70 11.475 3.097 -3.930 1.00 64.42 C ATOM 1053 CD2 LEU A 70 10.038 1.663 -2.476 1.00 5.22 C ATOM 0 H LEU A 70 10.896 6.291 -0.066 1.00 74.43 H new ATOM 0 HA LEU A 70 12.278 5.220 -2.438 1.00 12.31 H new ATOM 0 HB2 LEU A 70 11.551 3.281 -1.034 1.00 62.30 H new ATOM 0 HB3 LEU A 70 9.937 3.956 -0.925 1.00 62.30 H new ATOM 0 HG LEU A 70 9.543 3.631 -3.252 1.00 30.32 H new ATOM 0 HD11 LEU A 70 11.114 2.536 -4.792 1.00 64.42 H new ATOM 0 HD12 LEU A 70 11.695 4.122 -4.230 1.00 64.42 H new ATOM 0 HD13 LEU A 70 12.382 2.629 -3.547 1.00 64.42 H new ATOM 0 HD21 LEU A 70 9.750 1.122 -3.378 1.00 5.22 H new ATOM 0 HD22 LEU A 70 10.898 1.174 -2.019 1.00 5.22 H new ATOM 0 HD23 LEU A 70 9.205 1.665 -1.773 1.00 5.22 H new ATOM 1065 N LYS A 71 10.600 6.491 -3.819 1.00 65.43 N ATOM 1066 CA LYS A 71 9.657 7.221 -4.663 1.00 70.25 C ATOM 1067 C LYS A 71 8.699 6.218 -5.304 1.00 42.22 C ATOM 1068 O LYS A 71 9.054 5.635 -6.332 1.00 74.14 O ATOM 1069 CB LYS A 71 10.445 8.004 -5.727 1.00 54.41 C ATOM 1070 CG LYS A 71 9.564 8.958 -6.542 1.00 63.14 C ATOM 1071 CD LYS A 71 10.440 9.616 -7.607 1.00 5.41 C ATOM 1072 CE LYS A 71 9.670 10.455 -8.642 1.00 24.21 C ATOM 1073 NZ LYS A 71 8.807 9.664 -9.543 1.00 65.41 N ATOM 0 H LYS A 71 11.477 6.269 -4.291 1.00 65.43 H new ATOM 0 HA LYS A 71 9.074 7.932 -4.077 1.00 70.25 H new ATOM 0 HB2 LYS A 71 11.235 8.575 -5.239 1.00 54.41 H new ATOM 0 HB3 LYS A 71 10.931 7.300 -6.403 1.00 54.41 H new ATOM 0 HG2 LYS A 71 8.742 8.414 -7.007 1.00 63.14 H new ATOM 0 HG3 LYS A 71 9.120 9.713 -5.894 1.00 63.14 H new ATOM 0 HD2 LYS A 71 11.172 10.255 -7.113 1.00 5.41 H new ATOM 0 HD3 LYS A 71 10.997 8.839 -8.131 1.00 5.41 H new ATOM 0 HE2 LYS A 71 9.054 11.185 -8.116 1.00 24.21 H new ATOM 0 HE3 LYS A 71 10.386 11.016 -9.243 1.00 24.21 H new ATOM 0 HZ1 LYS A 71 8.324 10.301 -10.209 1.00 65.41 H new ATOM 0 HZ2 LYS A 71 9.389 8.985 -10.074 1.00 65.41 H new ATOM 0 HZ3 LYS A 71 8.099 9.149 -8.982 1.00 65.41 H new ATOM 1087 N LEU A 72 7.535 5.964 -4.701 1.00 51.21 N ATOM 1088 CA LEU A 72 6.481 5.172 -5.332 1.00 61.31 C ATOM 1089 C LEU A 72 5.866 5.955 -6.489 1.00 32.40 C ATOM 1090 O LEU A 72 5.819 7.181 -6.430 1.00 50.44 O ATOM 1091 CB LEU A 72 5.383 4.821 -4.316 1.00 70.25 C ATOM 1092 CG LEU A 72 5.304 3.326 -3.984 1.00 51.52 C ATOM 1093 CD1 LEU A 72 5.070 2.392 -5.167 1.00 4.21 C ATOM 1094 CD2 LEU A 72 6.370 2.857 -3.017 1.00 25.43 C ATOM 0 H LEU A 72 7.299 6.300 -3.767 1.00 51.21 H new ATOM 0 HA LEU A 72 6.924 4.249 -5.706 1.00 61.31 H new ATOM 0 HB2 LEU A 72 5.559 5.379 -3.397 1.00 70.25 H new ATOM 0 HB3 LEU A 72 4.420 5.148 -4.708 1.00 70.25 H new ATOM 0 HG LEU A 72 4.366 3.244 -3.434 1.00 51.52 H new ATOM 0 HD11 LEU A 72 5.032 1.361 -4.815 1.00 4.21 H new ATOM 0 HD12 LEU A 72 4.126 2.646 -5.650 1.00 4.21 H new ATOM 0 HD13 LEU A 72 5.884 2.501 -5.883 1.00 4.21 H new ATOM 0 HD21 LEU A 72 6.249 1.790 -2.831 1.00 25.43 H new ATOM 0 HD22 LEU A 72 7.356 3.041 -3.445 1.00 25.43 H new ATOM 0 HD23 LEU A 72 6.274 3.402 -2.078 1.00 25.43 H new ATOM 1106 N SER A 73 5.287 5.260 -7.473 1.00 4.30 N ATOM 1107 CA SER A 73 4.455 5.845 -8.520 1.00 25.22 C ATOM 1108 C SER A 73 3.227 4.963 -8.683 1.00 62.34 C ATOM 1109 O SER A 73 3.343 3.798 -9.063 1.00 21.21 O ATOM 1110 CB SER A 73 5.219 5.956 -9.843 1.00 50.14 C ATOM 1111 OG SER A 73 6.431 6.657 -9.660 1.00 12.34 O ATOM 0 H SER A 73 5.389 4.249 -7.562 1.00 4.30 H new ATOM 0 HA SER A 73 4.164 6.857 -8.238 1.00 25.22 H new ATOM 0 HB2 SER A 73 5.424 4.960 -10.235 1.00 50.14 H new ATOM 0 HB3 SER A 73 4.604 6.469 -10.582 1.00 50.14 H new ATOM 0 HG SER A 73 6.906 6.717 -10.515 1.00 12.34 H new ATOM 1117 N PHE A 74 2.047 5.490 -8.376 1.00 12.34 N ATOM 1118 CA PHE A 74 0.792 4.775 -8.518 1.00 63.24 C ATOM 1119 C PHE A 74 0.002 5.503 -9.601 1.00 3.54 C ATOM 1120 O PHE A 74 -0.222 6.708 -9.500 1.00 25.11 O ATOM 1121 CB PHE A 74 0.020 4.829 -7.191 1.00 34.43 C ATOM 1122 CG PHE A 74 0.720 4.267 -5.968 1.00 10.52 C ATOM 1123 CD1 PHE A 74 0.654 2.891 -5.696 1.00 74.01 C ATOM 1124 CD2 PHE A 74 1.372 5.121 -5.054 1.00 24.32 C ATOM 1125 CE1 PHE A 74 1.178 2.382 -4.500 1.00 65.24 C ATOM 1126 CE2 PHE A 74 1.881 4.614 -3.849 1.00 62.21 C ATOM 1127 CZ PHE A 74 1.769 3.246 -3.563 1.00 64.03 C ATOM 0 H PHE A 74 1.938 6.439 -8.017 1.00 12.34 H new ATOM 0 HA PHE A 74 0.954 3.729 -8.780 1.00 63.24 H new ATOM 0 HB2 PHE A 74 -0.235 5.869 -6.988 1.00 34.43 H new ATOM 0 HB3 PHE A 74 -0.919 4.291 -7.322 1.00 34.43 H new ATOM 0 HD1 PHE A 74 0.198 2.222 -6.411 1.00 74.01 H new ATOM 0 HD2 PHE A 74 1.480 6.171 -5.283 1.00 24.32 H new ATOM 0 HE1 PHE A 74 1.127 1.322 -4.298 1.00 65.24 H new ATOM 0 HE2 PHE A 74 2.359 5.277 -3.142 1.00 62.21 H new ATOM 0 HZ PHE A 74 2.136 2.857 -2.625 1.00 64.03 H new ATOM 1137 N ASP A 75 -0.480 4.773 -10.601 1.00 53.43 N ATOM 1138 CA ASP A 75 -1.258 5.307 -11.737 1.00 30.01 C ATOM 1139 C ASP A 75 -2.660 5.814 -11.349 1.00 74.44 C ATOM 1140 O ASP A 75 -3.508 6.090 -12.196 1.00 62.05 O ATOM 1141 CB ASP A 75 -1.385 4.189 -12.758 1.00 71.12 C ATOM 1142 CG ASP A 75 -1.929 4.611 -14.121 1.00 41.11 C ATOM 1143 OD1 ASP A 75 -1.687 5.748 -14.592 1.00 61.04 O ATOM 1144 OD2 ASP A 75 -2.588 3.749 -14.743 1.00 21.22 O ATOM 0 H ASP A 75 -0.342 3.764 -10.655 1.00 53.43 H new ATOM 0 HA ASP A 75 -0.730 6.175 -12.132 1.00 30.01 H new ATOM 0 HB2 ASP A 75 -0.404 3.736 -12.901 1.00 71.12 H new ATOM 0 HB3 ASP A 75 -2.036 3.417 -12.348 1.00 71.12 H new ATOM 1149 N ASP A 76 -2.940 5.894 -10.053 1.00 62.14 N ATOM 1150 CA ASP A 76 -4.200 6.342 -9.477 1.00 70.44 C ATOM 1151 C ASP A 76 -3.939 7.465 -8.473 1.00 42.45 C ATOM 1152 O ASP A 76 -4.733 7.709 -7.555 1.00 21.04 O ATOM 1153 CB ASP A 76 -4.939 5.127 -8.915 1.00 72.14 C ATOM 1154 CG ASP A 76 -5.859 4.553 -9.985 1.00 33.21 C ATOM 1155 OD1 ASP A 76 -6.952 5.144 -10.146 1.00 10.50 O ATOM 1156 OD2 ASP A 76 -5.491 3.565 -10.652 1.00 62.34 O ATOM 0 H ASP A 76 -2.258 5.634 -9.340 1.00 62.14 H new ATOM 0 HA ASP A 76 -4.859 6.780 -10.226 1.00 70.44 H new ATOM 0 HB2 ASP A 76 -4.224 4.371 -8.591 1.00 72.14 H new ATOM 0 HB3 ASP A 76 -5.519 5.414 -8.038 1.00 72.14 H new ATOM 1161 N GLY A 77 -2.805 8.145 -8.656 1.00 41.34 N ATOM 1162 CA GLY A 77 -2.388 9.305 -7.903 1.00 65.45 C ATOM 1163 C GLY A 77 -1.955 8.938 -6.491 1.00 5.32 C ATOM 1164 O GLY A 77 -1.821 7.763 -6.146 1.00 42.24 O ATOM 0 H GLY A 77 -2.127 7.880 -9.371 1.00 41.34 H new ATOM 0 HA2 GLY A 77 -1.563 9.796 -8.420 1.00 65.45 H new ATOM 0 HA3 GLY A 77 -3.208 10.022 -7.857 1.00 65.45 H new ATOM 1168 N HIS A 78 -1.768 9.970 -5.664 1.00 24.43 N ATOM 1169 CA HIS A 78 -1.321 9.921 -4.284 1.00 24.43 C ATOM 1170 C HIS A 78 0.137 9.441 -4.176 1.00 10.21 C ATOM 1171 O HIS A 78 0.554 8.949 -3.134 1.00 64.24 O ATOM 1172 CB HIS A 78 -2.339 9.100 -3.488 1.00 44.44 C ATOM 1173 CG HIS A 78 -2.526 9.503 -2.051 1.00 5.12 C ATOM 1174 ND1 HIS A 78 -1.570 9.602 -1.067 1.00 42.22 N ATOM 1175 CD2 HIS A 78 -3.719 9.872 -1.501 1.00 54.44 C ATOM 1176 CE1 HIS A 78 -2.184 10.057 0.041 1.00 52.25 C ATOM 1177 NE2 HIS A 78 -3.504 10.232 -0.172 1.00 32.44 N ATOM 0 H HIS A 78 -1.940 10.927 -5.971 1.00 24.43 H new ATOM 0 HA HIS A 78 -1.290 10.917 -3.843 1.00 24.43 H new ATOM 0 HB2 HIS A 78 -3.303 9.165 -3.992 1.00 44.44 H new ATOM 0 HB3 HIS A 78 -2.035 8.054 -3.515 1.00 44.44 H new ATOM 0 HD1 HIS A 78 -0.580 9.373 -1.160 1.00 42.22 H new ATOM 0 HD2 HIS A 78 -4.671 9.883 -2.011 1.00 54.44 H new ATOM 0 HE1 HIS A 78 -1.685 10.256 0.978 1.00 52.25 H new ATOM 1185 N ASP A 79 0.926 9.588 -5.246 1.00 63.25 N ATOM 1186 CA ASP A 79 2.352 9.252 -5.270 1.00 32.21 C ATOM 1187 C ASP A 79 3.204 10.172 -4.389 1.00 70.31 C ATOM 1188 O ASP A 79 4.333 9.806 -4.052 1.00 45.25 O ATOM 1189 CB ASP A 79 2.888 9.256 -6.710 1.00 42.45 C ATOM 1190 CG ASP A 79 3.011 10.655 -7.322 1.00 10.31 C ATOM 1191 OD1 ASP A 79 3.962 11.396 -7.000 1.00 33.20 O ATOM 1192 OD2 ASP A 79 2.161 10.986 -8.183 1.00 51.13 O ATOM 0 H ASP A 79 0.584 9.951 -6.136 1.00 63.25 H new ATOM 0 HA ASP A 79 2.434 8.248 -4.853 1.00 32.21 H new ATOM 0 HB2 ASP A 79 3.867 8.776 -6.724 1.00 42.45 H new ATOM 0 HB3 ASP A 79 2.228 8.653 -7.335 1.00 42.45 H new ATOM 1197 N SER A 80 2.683 11.334 -3.989 1.00 4.13 N ATOM 1198 CA SER A 80 3.362 12.245 -3.076 1.00 34.20 C ATOM 1199 C SER A 80 3.448 11.574 -1.701 1.00 12.20 C ATOM 1200 O SER A 80 2.433 11.207 -1.102 1.00 51.35 O ATOM 1201 CB SER A 80 2.647 13.601 -3.042 1.00 41.32 C ATOM 1202 OG SER A 80 2.460 14.042 -4.381 1.00 73.41 O ATOM 0 H SER A 80 1.769 11.669 -4.295 1.00 4.13 H new ATOM 0 HA SER A 80 4.377 12.452 -3.416 1.00 34.20 H new ATOM 0 HB2 SER A 80 1.687 13.511 -2.534 1.00 41.32 H new ATOM 0 HB3 SER A 80 3.237 14.327 -2.482 1.00 41.32 H new ATOM 0 HG SER A 80 2.002 14.908 -4.379 1.00 73.41 H new ATOM 1208 N GLY A 81 4.670 11.340 -1.232 1.00 32.13 N ATOM 1209 CA GLY A 81 4.967 10.525 -0.069 1.00 62.14 C ATOM 1210 C GLY A 81 6.478 10.370 0.059 1.00 44.12 C ATOM 1211 O GLY A 81 7.222 10.937 -0.746 1.00 41.32 O ATOM 0 H GLY A 81 5.506 11.728 -1.669 1.00 32.13 H new ATOM 0 HA2 GLY A 81 4.559 10.989 0.829 1.00 62.14 H new ATOM 0 HA3 GLY A 81 4.495 9.547 -0.165 1.00 62.14 H new ATOM 1215 N LEU A 82 6.931 9.604 1.052 1.00 64.24 N ATOM 1216 CA LEU A 82 8.343 9.311 1.304 1.00 65.03 C ATOM 1217 C LEU A 82 8.595 7.808 1.314 1.00 34.10 C ATOM 1218 O LEU A 82 9.634 7.395 0.818 1.00 42.52 O ATOM 1219 CB LEU A 82 8.817 9.937 2.632 1.00 73.23 C ATOM 1220 CG LEU A 82 9.708 11.189 2.505 1.00 11.50 C ATOM 1221 CD1 LEU A 82 9.157 12.279 1.579 1.00 44.12 C ATOM 1222 CD2 LEU A 82 9.889 11.801 3.899 1.00 73.05 C ATOM 0 H LEU A 82 6.307 9.157 1.724 1.00 64.24 H new ATOM 0 HA LEU A 82 8.918 9.755 0.492 1.00 65.03 H new ATOM 0 HB2 LEU A 82 7.939 10.198 3.222 1.00 73.23 H new ATOM 0 HB3 LEU A 82 9.365 9.180 3.193 1.00 73.23 H new ATOM 0 HG LEU A 82 10.644 10.848 2.062 1.00 11.50 H new ATOM 0 HD11 LEU A 82 9.851 13.119 1.553 1.00 44.12 H new ATOM 0 HD12 LEU A 82 9.037 11.876 0.573 1.00 44.12 H new ATOM 0 HD13 LEU A 82 8.190 12.618 1.951 1.00 44.12 H new ATOM 0 HD21 LEU A 82 10.517 12.689 3.828 1.00 73.05 H new ATOM 0 HD22 LEU A 82 8.916 12.077 4.304 1.00 73.05 H new ATOM 0 HD23 LEU A 82 10.363 11.073 4.557 1.00 73.05 H new ATOM 1234 N PHE A 83 7.664 7.014 1.852 1.00 64.01 N ATOM 1235 CA PHE A 83 7.755 5.569 2.032 1.00 64.25 C ATOM 1236 C PHE A 83 9.113 5.139 2.605 1.00 51.13 C ATOM 1237 O PHE A 83 9.984 4.642 1.882 1.00 32.41 O ATOM 1238 CB PHE A 83 7.355 4.840 0.739 1.00 42.42 C ATOM 1239 CG PHE A 83 5.887 4.997 0.371 1.00 25.30 C ATOM 1240 CD1 PHE A 83 5.473 6.074 -0.434 1.00 52.31 C ATOM 1241 CD2 PHE A 83 4.926 4.078 0.839 1.00 24.34 C ATOM 1242 CE1 PHE A 83 4.112 6.246 -0.750 1.00 31.13 C ATOM 1243 CE2 PHE A 83 3.565 4.244 0.524 1.00 53.14 C ATOM 1244 CZ PHE A 83 3.161 5.331 -0.265 1.00 2.34 C ATOM 0 H PHE A 83 6.778 7.388 2.192 1.00 64.01 H new ATOM 0 HA PHE A 83 7.034 5.266 2.791 1.00 64.25 H new ATOM 0 HB2 PHE A 83 7.967 5.214 -0.082 1.00 42.42 H new ATOM 0 HB3 PHE A 83 7.581 3.779 0.847 1.00 42.42 H new ATOM 0 HD1 PHE A 83 6.204 6.773 -0.812 1.00 52.31 H new ATOM 0 HD2 PHE A 83 5.237 3.240 1.444 1.00 24.34 H new ATOM 0 HE1 PHE A 83 3.799 7.078 -1.363 1.00 31.13 H new ATOM 0 HE2 PHE A 83 2.834 3.537 0.888 1.00 53.14 H new ATOM 0 HZ PHE A 83 2.116 5.466 -0.501 1.00 2.34 H new ATOM 1254 N THR A 84 9.307 5.336 3.910 1.00 11.24 N ATOM 1255 CA THR A 84 10.513 4.910 4.610 1.00 61.32 C ATOM 1256 C THR A 84 10.689 3.384 4.578 1.00 10.12 C ATOM 1257 O THR A 84 9.720 2.627 4.478 1.00 14.52 O ATOM 1258 CB THR A 84 10.520 5.444 6.053 1.00 73.13 C ATOM 1259 OG1 THR A 84 9.213 5.546 6.589 1.00 12.10 O ATOM 1260 CG2 THR A 84 11.202 6.808 6.131 1.00 50.15 C ATOM 0 H THR A 84 8.626 5.799 4.512 1.00 11.24 H new ATOM 0 HA THR A 84 11.367 5.337 4.083 1.00 61.32 H new ATOM 0 HB THR A 84 11.081 4.722 6.646 1.00 73.13 H new ATOM 0 HG1 THR A 84 9.261 5.887 7.507 1.00 12.10 H new ATOM 0 HG21 THR A 84 11.192 7.161 7.162 1.00 50.15 H new ATOM 0 HG22 THR A 84 12.233 6.720 5.787 1.00 50.15 H new ATOM 0 HG23 THR A 84 10.668 7.518 5.499 1.00 50.15 H new ATOM 1268 N TRP A 85 11.935 2.918 4.710 1.00 1.44 N ATOM 1269 CA TRP A 85 12.269 1.499 4.656 1.00 33.35 C ATOM 1270 C TRP A 85 11.599 0.673 5.743 1.00 4.33 C ATOM 1271 O TRP A 85 11.044 -0.390 5.454 1.00 10.34 O ATOM 1272 CB TRP A 85 13.784 1.303 4.742 1.00 31.01 C ATOM 1273 CG TRP A 85 14.530 1.677 3.504 1.00 25.35 C ATOM 1274 CD1 TRP A 85 15.711 2.322 3.493 1.00 21.03 C ATOM 1275 CD2 TRP A 85 14.184 1.458 2.096 1.00 42.11 C ATOM 1276 NE1 TRP A 85 16.110 2.538 2.196 1.00 72.04 N ATOM 1277 CE2 TRP A 85 15.195 2.051 1.282 1.00 45.30 C ATOM 1278 CE3 TRP A 85 13.133 0.809 1.410 1.00 73.40 C ATOM 1279 CZ2 TRP A 85 15.131 2.041 -0.127 1.00 3.43 C ATOM 1280 CZ3 TRP A 85 13.054 0.797 0.007 1.00 61.31 C ATOM 1281 CH2 TRP A 85 14.051 1.412 -0.761 1.00 70.32 C ATOM 0 H TRP A 85 12.743 3.523 4.858 1.00 1.44 H new ATOM 0 HA TRP A 85 11.889 1.142 3.699 1.00 33.35 H new ATOM 0 HB2 TRP A 85 14.167 1.894 5.574 1.00 31.01 H new ATOM 0 HB3 TRP A 85 13.989 0.258 4.973 1.00 31.01 H new ATOM 0 HD1 TRP A 85 16.262 2.624 4.371 1.00 21.03 H new ATOM 0 HE1 TRP A 85 16.980 3.004 1.938 1.00 72.04 H new ATOM 0 HE3 TRP A 85 12.367 0.307 1.982 1.00 73.40 H new ATOM 0 HZ2 TRP A 85 15.907 2.513 -0.711 1.00 3.43 H new ATOM 0 HZ3 TRP A 85 12.222 0.312 -0.481 1.00 61.31 H new ATOM 0 HH2 TRP A 85 13.988 1.401 -1.839 1.00 70.32 H new ATOM 1292 N ASP A 86 11.669 1.152 6.984 1.00 33.13 N ATOM 1293 CA ASP A 86 11.061 0.487 8.127 1.00 34.03 C ATOM 1294 C ASP A 86 9.569 0.323 7.902 1.00 4.12 C ATOM 1295 O ASP A 86 9.054 -0.781 8.064 1.00 44.22 O ATOM 1296 CB ASP A 86 11.353 1.231 9.436 1.00 63.40 C ATOM 1297 CG ASP A 86 10.721 2.615 9.511 1.00 4.12 C ATOM 1298 OD1 ASP A 86 11.204 3.526 8.802 1.00 25.31 O ATOM 1299 OD2 ASP A 86 9.791 2.828 10.316 1.00 14.31 O ATOM 0 H ASP A 86 12.153 2.018 7.222 1.00 33.13 H new ATOM 0 HA ASP A 86 11.506 -0.503 8.222 1.00 34.03 H new ATOM 0 HB2 ASP A 86 10.993 0.631 10.272 1.00 63.40 H new ATOM 0 HB3 ASP A 86 12.432 1.328 9.555 1.00 63.40 H new ATOM 1304 N TYR A 87 8.915 1.391 7.451 1.00 12.13 N ATOM 1305 CA TYR A 87 7.501 1.430 7.135 1.00 73.42 C ATOM 1306 C TYR A 87 7.159 0.437 6.012 1.00 54.13 C ATOM 1307 O TYR A 87 6.206 -0.332 6.134 1.00 32.42 O ATOM 1308 CB TYR A 87 7.133 2.883 6.792 1.00 63.12 C ATOM 1309 CG TYR A 87 5.720 3.084 6.298 1.00 41.53 C ATOM 1310 CD1 TYR A 87 4.662 2.378 6.896 1.00 72.32 C ATOM 1311 CD2 TYR A 87 5.466 3.964 5.224 1.00 72.41 C ATOM 1312 CE1 TYR A 87 3.368 2.499 6.381 1.00 70.02 C ATOM 1313 CE2 TYR A 87 4.169 4.070 4.687 1.00 21.24 C ATOM 1314 CZ TYR A 87 3.123 3.315 5.261 1.00 72.35 C ATOM 1315 OH TYR A 87 1.864 3.369 4.779 1.00 14.33 O ATOM 0 H TYR A 87 9.380 2.285 7.292 1.00 12.13 H new ATOM 0 HA TYR A 87 6.904 1.113 7.990 1.00 73.42 H new ATOM 0 HB2 TYR A 87 7.283 3.499 7.679 1.00 63.12 H new ATOM 0 HB3 TYR A 87 7.823 3.247 6.031 1.00 63.12 H new ATOM 0 HD1 TYR A 87 4.848 1.744 7.750 1.00 72.32 H new ATOM 0 HD2 TYR A 87 6.269 4.558 4.813 1.00 72.41 H new ATOM 0 HE1 TYR A 87 2.553 1.964 6.845 1.00 70.02 H new ATOM 0 HE2 TYR A 87 3.977 4.721 3.847 1.00 21.24 H new ATOM 0 HH TYR A 87 1.230 3.166 5.498 1.00 14.33 H new ATOM 1325 N LEU A 88 7.933 0.413 4.923 1.00 72.32 N ATOM 1326 CA LEU A 88 7.714 -0.500 3.799 1.00 22.14 C ATOM 1327 C LEU A 88 7.738 -1.951 4.261 1.00 30.32 C ATOM 1328 O LEU A 88 6.834 -2.718 3.919 1.00 22.45 O ATOM 1329 CB LEU A 88 8.754 -0.256 2.696 1.00 3.24 C ATOM 1330 CG LEU A 88 8.420 0.965 1.822 1.00 11.51 C ATOM 1331 CD1 LEU A 88 9.691 1.446 1.127 1.00 73.11 C ATOM 1332 CD2 LEU A 88 7.362 0.629 0.759 1.00 12.33 C ATOM 0 H LEU A 88 8.734 1.031 4.796 1.00 72.32 H new ATOM 0 HA LEU A 88 6.726 -0.300 3.385 1.00 22.14 H new ATOM 0 HB2 LEU A 88 9.734 -0.114 3.152 1.00 3.24 H new ATOM 0 HB3 LEU A 88 8.822 -1.142 2.064 1.00 3.24 H new ATOM 0 HG LEU A 88 8.016 1.744 2.469 1.00 11.51 H new ATOM 0 HD11 LEU A 88 9.461 2.312 0.506 1.00 73.11 H new ATOM 0 HD12 LEU A 88 10.432 1.724 1.876 1.00 73.11 H new ATOM 0 HD13 LEU A 88 10.089 0.646 0.502 1.00 73.11 H new ATOM 0 HD21 LEU A 88 7.152 1.516 0.161 1.00 12.33 H new ATOM 0 HD22 LEU A 88 7.736 -0.165 0.112 1.00 12.33 H new ATOM 0 HD23 LEU A 88 6.447 0.297 1.249 1.00 12.33 H new ATOM 1344 N TYR A 89 8.759 -2.347 5.019 1.00 52.44 N ATOM 1345 CA TYR A 89 8.858 -3.720 5.485 1.00 24.25 C ATOM 1346 C TYR A 89 7.880 -4.032 6.611 1.00 61.33 C ATOM 1347 O TYR A 89 7.393 -5.159 6.656 1.00 51.40 O ATOM 1348 CB TYR A 89 10.305 -4.032 5.846 1.00 41.33 C ATOM 1349 CG TYR A 89 11.090 -4.526 4.649 1.00 2.15 C ATOM 1350 CD1 TYR A 89 10.716 -5.703 3.973 1.00 52.24 C ATOM 1351 CD2 TYR A 89 12.214 -3.811 4.217 1.00 5.43 C ATOM 1352 CE1 TYR A 89 11.499 -6.178 2.914 1.00 12.35 C ATOM 1353 CE2 TYR A 89 13.037 -4.325 3.198 1.00 70.01 C ATOM 1354 CZ TYR A 89 12.698 -5.538 2.566 1.00 43.50 C ATOM 1355 OH TYR A 89 13.556 -6.135 1.701 1.00 54.34 O ATOM 0 H TYR A 89 9.521 -1.739 5.319 1.00 52.44 H new ATOM 0 HA TYR A 89 8.561 -4.383 4.673 1.00 24.25 H new ATOM 0 HB2 TYR A 89 10.780 -3.137 6.248 1.00 41.33 H new ATOM 0 HB3 TYR A 89 10.329 -4.786 6.633 1.00 41.33 H new ATOM 0 HD1 TYR A 89 9.827 -6.239 4.271 1.00 52.24 H new ATOM 0 HD2 TYR A 89 12.451 -2.859 4.669 1.00 5.43 H new ATOM 0 HE1 TYR A 89 11.177 -7.047 2.359 1.00 12.35 H new ATOM 0 HE2 TYR A 89 13.927 -3.791 2.901 1.00 70.01 H new ATOM 0 HH TYR A 89 13.746 -7.047 2.006 1.00 54.34 H new ATOM 1365 N GLU A 90 7.523 -3.063 7.451 1.00 34.03 N ATOM 1366 CA GLU A 90 6.461 -3.207 8.438 1.00 25.01 C ATOM 1367 C GLU A 90 5.192 -3.686 7.723 1.00 54.20 C ATOM 1368 O GLU A 90 4.652 -4.743 8.061 1.00 70.24 O ATOM 1369 CB GLU A 90 6.300 -1.881 9.213 1.00 73.34 C ATOM 1370 CG GLU A 90 5.021 -1.794 10.066 1.00 43.31 C ATOM 1371 CD GLU A 90 5.288 -1.379 11.516 1.00 34.42 C ATOM 1372 OE1 GLU A 90 5.355 -0.172 11.839 1.00 34.03 O ATOM 1373 OE2 GLU A 90 5.469 -2.292 12.359 1.00 13.51 O ATOM 0 H GLU A 90 7.970 -2.146 7.464 1.00 34.03 H new ATOM 0 HA GLU A 90 6.698 -3.961 9.188 1.00 25.01 H new ATOM 0 HB2 GLU A 90 7.165 -1.747 9.862 1.00 73.34 H new ATOM 0 HB3 GLU A 90 6.304 -1.055 8.501 1.00 73.34 H new ATOM 0 HG2 GLU A 90 4.337 -1.078 9.611 1.00 43.31 H new ATOM 0 HG3 GLU A 90 4.521 -2.762 10.059 1.00 43.31 H new ATOM 1380 N LEU A 91 4.767 -2.964 6.680 1.00 2.15 N ATOM 1381 CA LEU A 91 3.597 -3.333 5.891 1.00 52.32 C ATOM 1382 C LEU A 91 3.742 -4.700 5.218 1.00 52.54 C ATOM 1383 O LEU A 91 2.738 -5.392 5.075 1.00 23.41 O ATOM 1384 CB LEU A 91 3.335 -2.301 4.788 1.00 24.12 C ATOM 1385 CG LEU A 91 2.899 -0.892 5.204 1.00 14.34 C ATOM 1386 CD1 LEU A 91 2.600 -0.118 3.918 1.00 50.32 C ATOM 1387 CD2 LEU A 91 1.645 -0.890 6.077 1.00 34.32 C ATOM 0 H LEU A 91 5.227 -2.110 6.363 1.00 2.15 H new ATOM 0 HA LEU A 91 2.768 -3.371 6.597 1.00 52.32 H new ATOM 0 HB2 LEU A 91 4.246 -2.207 4.197 1.00 24.12 H new ATOM 0 HB3 LEU A 91 2.567 -2.706 4.128 1.00 24.12 H new ATOM 0 HG LEU A 91 3.697 -0.442 5.794 1.00 14.34 H new ATOM 0 HD11 LEU A 91 2.285 0.895 4.168 1.00 50.32 H new ATOM 0 HD12 LEU A 91 3.498 -0.077 3.301 1.00 50.32 H new ATOM 0 HD13 LEU A 91 1.804 -0.620 3.368 1.00 50.32 H new ATOM 0 HD21 LEU A 91 1.386 0.136 6.339 1.00 34.32 H new ATOM 0 HD22 LEU A 91 0.819 -1.344 5.529 1.00 34.32 H new ATOM 0 HD23 LEU A 91 1.834 -1.460 6.986 1.00 34.32 H new ATOM 1399 N ALA A 92 4.950 -5.082 4.784 1.00 14.45 N ATOM 1400 CA ALA A 92 5.201 -6.335 4.077 1.00 62.42 C ATOM 1401 C ALA A 92 4.720 -7.523 4.911 1.00 62.21 C ATOM 1402 O ALA A 92 3.902 -8.313 4.437 1.00 44.44 O ATOM 1403 CB ALA A 92 6.687 -6.456 3.707 1.00 50.11 C ATOM 0 H ALA A 92 5.789 -4.518 4.918 1.00 14.45 H new ATOM 0 HA ALA A 92 4.633 -6.338 3.146 1.00 62.42 H new ATOM 0 HB1 ALA A 92 6.856 -7.396 3.181 1.00 50.11 H new ATOM 0 HB2 ALA A 92 6.971 -5.624 3.063 1.00 50.11 H new ATOM 0 HB3 ALA A 92 7.291 -6.435 4.614 1.00 50.11 H new ATOM 1409 N THR A 93 5.194 -7.639 6.154 1.00 4.53 N ATOM 1410 CA THR A 93 4.832 -8.770 6.999 1.00 11.13 C ATOM 1411 C THR A 93 3.392 -8.621 7.507 1.00 50.33 C ATOM 1412 O THR A 93 2.693 -9.623 7.678 1.00 50.30 O ATOM 1413 CB THR A 93 5.895 -8.995 8.093 1.00 45.50 C ATOM 1414 OG1 THR A 93 5.527 -10.033 8.972 1.00 60.04 O ATOM 1415 CG2 THR A 93 6.237 -7.757 8.911 1.00 0.14 C ATOM 0 H THR A 93 5.824 -6.967 6.591 1.00 4.53 H new ATOM 0 HA THR A 93 4.833 -9.691 6.416 1.00 11.13 H new ATOM 0 HB THR A 93 6.791 -9.269 7.536 1.00 45.50 H new ATOM 0 HG1 THR A 93 5.791 -10.895 8.588 1.00 60.04 H new ATOM 0 HG21 THR A 93 6.992 -8.010 9.655 1.00 0.14 H new ATOM 0 HG22 THR A 93 6.624 -6.980 8.251 1.00 0.14 H new ATOM 0 HG23 THR A 93 5.340 -7.393 9.413 1.00 0.14 H new ATOM 1423 N ARG A 94 2.911 -7.391 7.717 1.00 3.45 N ATOM 1424 CA ARG A 94 1.576 -7.123 8.255 1.00 63.00 C ATOM 1425 C ARG A 94 0.467 -7.192 7.203 1.00 50.31 C ATOM 1426 O ARG A 94 -0.697 -7.055 7.577 1.00 13.42 O ATOM 1427 CB ARG A 94 1.586 -5.733 8.907 1.00 61.34 C ATOM 1428 CG ARG A 94 2.429 -5.667 10.190 1.00 2.43 C ATOM 1429 CD ARG A 94 1.567 -5.538 11.460 1.00 72.11 C ATOM 1430 NE ARG A 94 0.982 -6.815 11.908 1.00 14.44 N ATOM 1431 CZ ARG A 94 1.629 -7.801 12.540 1.00 31.25 C ATOM 1432 NH1 ARG A 94 2.848 -7.602 13.033 1.00 42.40 N ATOM 1433 NH2 ARG A 94 1.055 -8.990 12.686 1.00 62.24 N ATOM 0 H ARG A 94 3.445 -6.545 7.516 1.00 3.45 H new ATOM 0 HA ARG A 94 1.353 -7.904 8.982 1.00 63.00 H new ATOM 0 HB2 ARG A 94 1.970 -5.007 8.191 1.00 61.34 H new ATOM 0 HB3 ARG A 94 0.562 -5.441 9.139 1.00 61.34 H new ATOM 0 HG2 ARG A 94 3.044 -6.564 10.263 1.00 2.43 H new ATOM 0 HG3 ARG A 94 3.110 -4.818 10.130 1.00 2.43 H new ATOM 0 HD2 ARG A 94 2.178 -5.126 12.263 1.00 72.11 H new ATOM 0 HD3 ARG A 94 0.764 -4.826 11.273 1.00 72.11 H new ATOM 0 HE ARG A 94 -0.010 -6.961 11.718 1.00 14.44 H new ATOM 0 HH11 ARG A 94 3.297 -6.692 12.931 1.00 42.40 H new ATOM 0 HH12 ARG A 94 3.334 -8.359 13.513 1.00 42.40 H new ATOM 0 HH21 ARG A 94 0.119 -9.153 12.316 1.00 62.24 H new ATOM 0 HH22 ARG A 94 1.551 -9.740 13.168 1.00 62.24 H new ATOM 1447 N LYS A 95 0.778 -7.358 5.910 1.00 51.43 N ATOM 1448 CA LYS A 95 -0.182 -7.167 4.818 1.00 61.30 C ATOM 1449 C LYS A 95 -1.473 -7.923 5.055 1.00 44.23 C ATOM 1450 O LYS A 95 -2.554 -7.368 4.930 1.00 14.12 O ATOM 1451 CB LYS A 95 0.430 -7.613 3.480 1.00 11.55 C ATOM 1452 CG LYS A 95 -0.515 -7.353 2.288 1.00 25.35 C ATOM 1453 CD LYS A 95 -0.871 -8.537 1.370 1.00 71.20 C ATOM 1454 CE LYS A 95 -1.907 -9.451 2.027 1.00 51.30 C ATOM 1455 NZ LYS A 95 -2.528 -10.417 1.096 1.00 31.21 N ATOM 0 H LYS A 95 1.708 -7.630 5.592 1.00 51.43 H new ATOM 0 HA LYS A 95 -0.414 -6.103 4.782 1.00 61.30 H new ATOM 0 HB2 LYS A 95 1.369 -7.084 3.318 1.00 11.55 H new ATOM 0 HB3 LYS A 95 0.667 -8.676 3.528 1.00 11.55 H new ATOM 0 HG2 LYS A 95 -1.446 -6.947 2.684 1.00 25.35 H new ATOM 0 HG3 LYS A 95 -0.065 -6.576 1.670 1.00 25.35 H new ATOM 0 HD2 LYS A 95 -1.260 -8.163 0.423 1.00 71.20 H new ATOM 0 HD3 LYS A 95 0.029 -9.108 1.142 1.00 71.20 H new ATOM 0 HE2 LYS A 95 -1.430 -9.999 2.840 1.00 51.30 H new ATOM 0 HE3 LYS A 95 -2.689 -8.836 2.473 1.00 51.30 H new ATOM 0 HZ1 LYS A 95 -3.218 -11.001 1.611 1.00 31.21 H new ATOM 0 HZ2 LYS A 95 -3.012 -9.902 0.333 1.00 31.21 H new ATOM 0 HZ3 LYS A 95 -1.792 -11.029 0.689 1.00 31.21 H new ATOM 1469 N ASP A 96 -1.328 -9.214 5.289 1.00 52.21 N ATOM 1470 CA ASP A 96 -2.408 -10.190 5.360 1.00 52.30 C ATOM 1471 C ASP A 96 -3.430 -9.850 6.457 1.00 64.03 C ATOM 1472 O ASP A 96 -4.635 -10.002 6.259 1.00 11.25 O ATOM 1473 CB ASP A 96 -1.726 -11.564 5.523 1.00 50.10 C ATOM 1474 CG ASP A 96 -2.629 -12.790 5.419 1.00 64.20 C ATOM 1475 OD1 ASP A 96 -3.639 -12.733 4.681 1.00 10.31 O ATOM 1476 OD2 ASP A 96 -2.271 -13.853 5.966 1.00 44.12 O ATOM 0 H ASP A 96 -0.411 -9.634 5.443 1.00 52.21 H new ATOM 0 HA ASP A 96 -3.016 -10.190 4.456 1.00 52.30 H new ATOM 0 HB2 ASP A 96 -0.946 -11.650 4.766 1.00 50.10 H new ATOM 0 HB3 ASP A 96 -1.231 -11.586 6.494 1.00 50.10 H new ATOM 1481 N GLN A 97 -2.967 -9.291 7.573 1.00 65.23 N ATOM 1482 CA GLN A 97 -3.765 -8.730 8.660 1.00 75.11 C ATOM 1483 C GLN A 97 -4.382 -7.383 8.272 1.00 45.25 C ATOM 1484 O GLN A 97 -5.590 -7.194 8.424 1.00 32.01 O ATOM 1485 CB GLN A 97 -2.810 -8.646 9.867 1.00 44.14 C ATOM 1486 CG GLN A 97 -3.218 -7.809 11.082 1.00 4.22 C ATOM 1487 CD GLN A 97 -4.394 -8.379 11.862 1.00 35.33 C ATOM 1488 OE1 GLN A 97 -4.218 -9.226 12.744 1.00 51.12 O ATOM 1489 NE2 GLN A 97 -5.593 -7.897 11.594 1.00 42.13 N ATOM 0 H GLN A 97 -1.966 -9.213 7.753 1.00 65.23 H new ATOM 0 HA GLN A 97 -4.627 -9.351 8.902 1.00 75.11 H new ATOM 0 HB2 GLN A 97 -2.629 -9.663 10.214 1.00 44.14 H new ATOM 0 HB3 GLN A 97 -1.857 -8.258 9.506 1.00 44.14 H new ATOM 0 HG2 GLN A 97 -2.362 -7.718 11.751 1.00 4.22 H new ATOM 0 HG3 GLN A 97 -3.471 -6.803 10.748 1.00 4.22 H new ATOM 0 HE21 GLN A 97 -5.709 -7.198 10.860 1.00 42.13 H new ATOM 0 HE22 GLN A 97 -6.403 -8.223 12.121 1.00 42.13 H new ATOM 1498 N LEU A 98 -3.570 -6.451 7.766 1.00 61.14 N ATOM 1499 CA LEU A 98 -4.004 -5.104 7.399 1.00 4.24 C ATOM 1500 C LEU A 98 -5.030 -5.114 6.276 1.00 32.42 C ATOM 1501 O LEU A 98 -5.875 -4.230 6.216 1.00 14.43 O ATOM 1502 CB LEU A 98 -2.794 -4.278 6.936 1.00 74.24 C ATOM 1503 CG LEU A 98 -2.236 -3.293 7.964 1.00 22.02 C ATOM 1504 CD1 LEU A 98 -2.034 -3.901 9.347 1.00 43.31 C ATOM 1505 CD2 LEU A 98 -0.895 -2.771 7.441 1.00 23.23 C ATOM 0 H LEU A 98 -2.577 -6.616 7.598 1.00 61.14 H new ATOM 0 HA LEU A 98 -4.464 -4.666 8.285 1.00 4.24 H new ATOM 0 HB2 LEU A 98 -1.998 -4.964 6.646 1.00 74.24 H new ATOM 0 HB3 LEU A 98 -3.077 -3.722 6.042 1.00 74.24 H new ATOM 0 HG LEU A 98 -2.968 -2.494 8.085 1.00 22.02 H new ATOM 0 HD11 LEU A 98 -1.636 -3.144 10.023 1.00 43.31 H new ATOM 0 HD12 LEU A 98 -2.989 -4.262 9.729 1.00 43.31 H new ATOM 0 HD13 LEU A 98 -1.332 -4.732 9.280 1.00 43.31 H new ATOM 0 HD21 LEU A 98 -0.475 -2.065 8.157 1.00 23.23 H new ATOM 0 HD22 LEU A 98 -0.207 -3.606 7.308 1.00 23.23 H new ATOM 0 HD23 LEU A 98 -1.047 -2.270 6.485 1.00 23.23 H new ATOM 1517 N TRP A 99 -4.942 -6.063 5.348 1.00 4.12 N ATOM 1518 CA TRP A 99 -5.855 -6.138 4.223 1.00 50.43 C ATOM 1519 C TRP A 99 -7.273 -6.318 4.744 1.00 31.22 C ATOM 1520 O TRP A 99 -8.151 -5.522 4.415 1.00 63.42 O ATOM 1521 CB TRP A 99 -5.450 -7.250 3.250 1.00 41.53 C ATOM 1522 CG TRP A 99 -6.302 -7.286 2.019 1.00 5.34 C ATOM 1523 CD1 TRP A 99 -7.102 -8.306 1.634 1.00 44.12 C ATOM 1524 CD2 TRP A 99 -6.537 -6.210 1.061 1.00 73.44 C ATOM 1525 NE1 TRP A 99 -7.727 -7.975 0.447 1.00 31.04 N ATOM 1526 CE2 TRP A 99 -7.484 -6.666 0.099 1.00 41.44 C ATOM 1527 CE3 TRP A 99 -6.085 -4.877 0.940 1.00 34.31 C ATOM 1528 CZ2 TRP A 99 -7.989 -5.828 -0.904 1.00 24.30 C ATOM 1529 CZ3 TRP A 99 -6.562 -4.033 -0.077 1.00 72.13 C ATOM 1530 CH2 TRP A 99 -7.524 -4.507 -0.983 1.00 23.10 C ATOM 0 H TRP A 99 -4.235 -6.798 5.359 1.00 4.12 H new ATOM 0 HA TRP A 99 -5.810 -5.208 3.656 1.00 50.43 H new ATOM 0 HB2 TRP A 99 -4.408 -7.111 2.961 1.00 41.53 H new ATOM 0 HB3 TRP A 99 -5.514 -8.212 3.758 1.00 41.53 H new ATOM 0 HD1 TRP A 99 -7.232 -9.234 2.170 1.00 44.12 H new ATOM 0 HE1 TRP A 99 -8.296 -8.619 -0.102 1.00 31.04 H new ATOM 0 HE3 TRP A 99 -5.358 -4.499 1.644 1.00 34.31 H new ATOM 0 HZ2 TRP A 99 -8.725 -6.193 -1.605 1.00 24.30 H new ATOM 0 HZ3 TRP A 99 -6.190 -3.023 -0.161 1.00 72.13 H new ATOM 0 HH2 TRP A 99 -7.909 -3.849 -1.748 1.00 23.10 H new ATOM 1541 N ALA A 100 -7.468 -7.307 5.618 1.00 22.23 N ATOM 1542 CA ALA A 100 -8.755 -7.552 6.256 1.00 10.52 C ATOM 1543 C ALA A 100 -9.316 -6.316 6.980 1.00 14.42 C ATOM 1544 O ALA A 100 -10.536 -6.127 7.005 1.00 61.04 O ATOM 1545 CB ALA A 100 -8.580 -8.714 7.223 1.00 70.04 C ATOM 0 H ALA A 100 -6.736 -7.959 5.901 1.00 22.23 H new ATOM 0 HA ALA A 100 -9.487 -7.792 5.484 1.00 10.52 H new ATOM 0 HB1 ALA A 100 -9.529 -8.922 7.717 1.00 70.04 H new ATOM 0 HB2 ALA A 100 -8.255 -9.598 6.674 1.00 70.04 H new ATOM 0 HB3 ALA A 100 -7.830 -8.455 7.971 1.00 70.04 H new ATOM 1551 N ASP A 101 -8.454 -5.482 7.570 1.00 74.24 N ATOM 1552 CA ASP A 101 -8.842 -4.195 8.163 1.00 53.14 C ATOM 1553 C ASP A 101 -9.258 -3.177 7.089 1.00 13.43 C ATOM 1554 O ASP A 101 -10.327 -2.577 7.168 1.00 32.01 O ATOM 1555 CB ASP A 101 -7.698 -3.669 9.032 1.00 5.40 C ATOM 1556 CG ASP A 101 -8.032 -2.361 9.751 1.00 62.11 C ATOM 1557 OD1 ASP A 101 -9.143 -2.297 10.340 1.00 31.40 O ATOM 1558 OD2 ASP A 101 -7.157 -1.484 9.808 1.00 31.43 O ATOM 0 H ASP A 101 -7.457 -5.682 7.651 1.00 74.24 H new ATOM 0 HA ASP A 101 -9.717 -4.349 8.794 1.00 53.14 H new ATOM 0 HB2 ASP A 101 -7.437 -4.425 9.772 1.00 5.40 H new ATOM 0 HB3 ASP A 101 -6.818 -3.517 8.407 1.00 5.40 H new ATOM 1563 N TYR A 102 -8.487 -3.041 6.010 1.00 43.13 N ATOM 1564 CA TYR A 102 -8.816 -2.162 4.892 1.00 31.20 C ATOM 1565 C TYR A 102 -10.121 -2.544 4.182 1.00 45.13 C ATOM 1566 O TYR A 102 -10.774 -1.668 3.598 1.00 43.15 O ATOM 1567 CB TYR A 102 -7.648 -2.134 3.897 1.00 52.22 C ATOM 1568 CG TYR A 102 -6.690 -0.992 4.166 1.00 62.45 C ATOM 1569 CD1 TYR A 102 -7.128 0.333 3.981 1.00 70.12 C ATOM 1570 CD2 TYR A 102 -5.406 -1.239 4.682 1.00 3.40 C ATOM 1571 CE1 TYR A 102 -6.307 1.412 4.344 1.00 54.24 C ATOM 1572 CE2 TYR A 102 -4.579 -0.163 5.051 1.00 42.32 C ATOM 1573 CZ TYR A 102 -5.039 1.166 4.911 1.00 64.13 C ATOM 1574 OH TYR A 102 -4.280 2.199 5.368 1.00 71.15 O ATOM 0 H TYR A 102 -7.608 -3.544 5.888 1.00 43.13 H new ATOM 0 HA TYR A 102 -8.978 -1.166 5.305 1.00 31.20 H new ATOM 0 HB2 TYR A 102 -7.107 -3.079 3.949 1.00 52.22 H new ATOM 0 HB3 TYR A 102 -8.039 -2.046 2.883 1.00 52.22 H new ATOM 0 HD1 TYR A 102 -8.103 0.521 3.557 1.00 70.12 H new ATOM 0 HD2 TYR A 102 -5.055 -2.254 4.795 1.00 3.40 H new ATOM 0 HE1 TYR A 102 -6.645 2.426 4.190 1.00 54.24 H new ATOM 0 HE2 TYR A 102 -3.590 -0.353 5.442 1.00 42.32 H new ATOM 0 HH TYR A 102 -3.720 1.890 6.111 1.00 71.15 H new ATOM 1584 N LEU A 103 -10.524 -3.818 4.200 1.00 12.50 N ATOM 1585 CA LEU A 103 -11.862 -4.223 3.767 1.00 54.32 C ATOM 1586 C LEU A 103 -12.933 -3.649 4.694 1.00 41.54 C ATOM 1587 O LEU A 103 -14.024 -3.336 4.215 1.00 3.12 O ATOM 1588 CB LEU A 103 -12.047 -5.755 3.764 1.00 2.30 C ATOM 1589 CG LEU A 103 -11.606 -6.577 2.542 1.00 43.23 C ATOM 1590 CD1 LEU A 103 -12.051 -5.972 1.214 1.00 34.34 C ATOM 1591 CD2 LEU A 103 -10.110 -6.826 2.470 1.00 32.02 C ATOM 0 H LEU A 103 -9.936 -4.591 4.513 1.00 12.50 H new ATOM 0 HA LEU A 103 -11.968 -3.839 2.752 1.00 54.32 H new ATOM 0 HB2 LEU A 103 -11.514 -6.148 4.630 1.00 2.30 H new ATOM 0 HB3 LEU A 103 -13.106 -5.955 3.925 1.00 2.30 H new ATOM 0 HG LEU A 103 -12.112 -7.531 2.695 1.00 43.23 H new ATOM 0 HD11 LEU A 103 -11.707 -6.602 0.394 1.00 34.34 H new ATOM 0 HD12 LEU A 103 -13.139 -5.907 1.190 1.00 34.34 H new ATOM 0 HD13 LEU A 103 -11.626 -4.974 1.108 1.00 34.34 H new ATOM 0 HD21 LEU A 103 -9.881 -7.412 1.580 1.00 32.02 H new ATOM 0 HD22 LEU A 103 -9.584 -5.872 2.422 1.00 32.02 H new ATOM 0 HD23 LEU A 103 -9.789 -7.373 3.357 1.00 32.02 H new ATOM 1603 N ALA A 104 -12.685 -3.576 6.005 1.00 41.54 N ATOM 1604 CA ALA A 104 -13.667 -3.096 6.968 1.00 22.10 C ATOM 1605 C ALA A 104 -13.890 -1.602 6.773 1.00 24.24 C ATOM 1606 O ALA A 104 -15.036 -1.163 6.738 1.00 71.45 O ATOM 1607 CB ALA A 104 -13.217 -3.389 8.400 1.00 74.45 C ATOM 0 H ALA A 104 -11.796 -3.849 6.424 1.00 41.54 H new ATOM 0 HA ALA A 104 -14.607 -3.622 6.800 1.00 22.10 H new ATOM 0 HB1 ALA A 104 -13.967 -3.021 9.100 1.00 74.45 H new ATOM 0 HB2 ALA A 104 -13.096 -4.464 8.530 1.00 74.45 H new ATOM 0 HB3 ALA A 104 -12.267 -2.891 8.592 1.00 74.45 H new ATOM 1613 N GLU A 105 -12.815 -0.843 6.564 1.00 51.41 N ATOM 1614 CA GLU A 105 -12.864 0.588 6.303 1.00 10.53 C ATOM 1615 C GLU A 105 -13.830 0.876 5.156 1.00 41.41 C ATOM 1616 O GLU A 105 -14.817 1.588 5.316 1.00 21.44 O ATOM 1617 CB GLU A 105 -11.452 1.101 6.013 1.00 63.15 C ATOM 1618 CG GLU A 105 -10.667 1.324 7.305 1.00 22.22 C ATOM 1619 CD GLU A 105 -11.007 2.623 8.047 1.00 10.11 C ATOM 1620 OE1 GLU A 105 -12.187 2.866 8.371 1.00 13.21 O ATOM 1621 OE2 GLU A 105 -10.069 3.395 8.371 1.00 64.33 O ATOM 0 H GLU A 105 -11.866 -1.218 6.572 1.00 51.41 H new ATOM 0 HA GLU A 105 -13.237 1.117 7.180 1.00 10.53 H new ATOM 0 HB2 GLU A 105 -10.924 0.385 5.383 1.00 63.15 H new ATOM 0 HB3 GLU A 105 -11.510 2.035 5.454 1.00 63.15 H new ATOM 0 HG2 GLU A 105 -10.848 0.482 7.973 1.00 22.22 H new ATOM 0 HG3 GLU A 105 -9.602 1.323 7.072 1.00 22.22 H new ATOM 1628 N LEU A 106 -13.591 0.269 3.993 1.00 32.04 N ATOM 1629 CA LEU A 106 -14.426 0.472 2.812 1.00 50.12 C ATOM 1630 C LEU A 106 -15.871 0.032 3.018 1.00 12.14 C ATOM 1631 O LEU A 106 -16.774 0.669 2.481 1.00 64.33 O ATOM 1632 CB LEU A 106 -13.821 -0.292 1.615 1.00 74.44 C ATOM 1633 CG LEU A 106 -13.523 0.576 0.382 1.00 71.15 C ATOM 1634 CD1 LEU A 106 -14.661 1.529 0.052 1.00 53.44 C ATOM 1635 CD2 LEU A 106 -12.179 1.287 0.567 1.00 52.51 C ATOM 0 H LEU A 106 -12.815 -0.376 3.845 1.00 32.04 H new ATOM 0 HA LEU A 106 -14.444 1.544 2.616 1.00 50.12 H new ATOM 0 HB2 LEU A 106 -12.896 -0.771 1.937 1.00 74.44 H new ATOM 0 HB3 LEU A 106 -14.507 -1.087 1.325 1.00 74.44 H new ATOM 0 HG LEU A 106 -13.443 -0.074 -0.490 1.00 71.15 H new ATOM 0 HD11 LEU A 106 -14.399 2.118 -0.827 1.00 53.44 H new ATOM 0 HD12 LEU A 106 -15.567 0.958 -0.151 1.00 53.44 H new ATOM 0 HD13 LEU A 106 -14.834 2.195 0.897 1.00 53.44 H new ATOM 0 HD21 LEU A 106 -11.969 1.902 -0.308 1.00 52.51 H new ATOM 0 HD22 LEU A 106 -12.221 1.920 1.454 1.00 52.51 H new ATOM 0 HD23 LEU A 106 -11.389 0.546 0.687 1.00 52.51 H new ATOM 1647 N ALA A 107 -16.093 -1.026 3.801 1.00 41.52 N ATOM 1648 CA ALA A 107 -17.419 -1.556 4.084 1.00 2.11 C ATOM 1649 C ALA A 107 -18.281 -0.581 4.876 1.00 4.33 C ATOM 1650 O ALA A 107 -19.499 -0.758 4.930 1.00 24.04 O ATOM 1651 CB ALA A 107 -17.285 -2.810 4.939 1.00 34.14 C ATOM 0 H ALA A 107 -15.343 -1.542 4.260 1.00 41.52 H new ATOM 0 HA ALA A 107 -17.889 -1.753 3.121 1.00 2.11 H new ATOM 0 HB1 ALA A 107 -18.275 -3.211 5.154 1.00 34.14 H new ATOM 0 HB2 ALA A 107 -16.700 -3.556 4.401 1.00 34.14 H new ATOM 0 HB3 ALA A 107 -16.784 -2.561 5.874 1.00 34.14 H new ATOM 1657 N SER A 108 -17.646 0.384 5.537 1.00 50.24 N ATOM 1658 CA SER A 108 -18.249 1.197 6.575 1.00 12.13 C ATOM 1659 C SER A 108 -18.249 2.664 6.143 1.00 10.43 C ATOM 1660 O SER A 108 -19.213 3.390 6.408 1.00 11.23 O ATOM 1661 CB SER A 108 -17.476 0.950 7.881 1.00 61.12 C ATOM 1662 OG SER A 108 -17.179 -0.428 8.060 1.00 12.22 O ATOM 0 H SER A 108 -16.671 0.624 5.356 1.00 50.24 H new ATOM 0 HA SER A 108 -19.291 0.927 6.744 1.00 12.13 H new ATOM 0 HB2 SER A 108 -16.550 1.524 7.870 1.00 61.12 H new ATOM 0 HB3 SER A 108 -18.064 1.309 8.726 1.00 61.12 H new ATOM 0 HG SER A 108 -16.289 -0.620 7.699 1.00 12.22 H new ATOM 1668 N ALA A 109 -17.215 3.073 5.402 1.00 65.13 N ATOM 1669 CA ALA A 109 -17.052 4.405 4.851 1.00 45.25 C ATOM 1670 C ALA A 109 -18.142 4.785 3.843 1.00 33.00 C ATOM 1671 O ALA A 109 -18.242 5.959 3.483 1.00 13.30 O ATOM 1672 CB ALA A 109 -15.685 4.507 4.177 1.00 13.14 C ATOM 0 H ALA A 109 -16.441 2.453 5.165 1.00 65.13 H new ATOM 0 HA ALA A 109 -17.135 5.104 5.684 1.00 45.25 H new ATOM 0 HB1 ALA A 109 -15.558 5.507 3.761 1.00 13.14 H new ATOM 0 HB2 ALA A 109 -14.902 4.317 4.911 1.00 13.14 H new ATOM 0 HB3 ALA A 109 -15.618 3.770 3.377 1.00 13.14 H new ATOM 1678 N GLY A 110 -18.970 3.852 3.368 1.00 11.43 N ATOM 1679 CA GLY A 110 -20.034 4.187 2.426 1.00 12.13 C ATOM 1680 C GLY A 110 -19.536 4.301 0.991 1.00 30.10 C ATOM 1681 O GLY A 110 -20.197 4.959 0.181 1.00 21.10 O ATOM 0 H GLY A 110 -18.923 2.865 3.620 1.00 11.43 H new ATOM 0 HA2 GLY A 110 -20.811 3.425 2.477 1.00 12.13 H new ATOM 0 HA3 GLY A 110 -20.493 5.130 2.723 1.00 12.13 H new ATOM 1685 N LYS A 111 -18.367 3.725 0.661 1.00 11.50 N ATOM 1686 CA LYS A 111 -17.785 3.863 -0.676 1.00 12.42 C ATOM 1687 C LYS A 111 -17.604 2.483 -1.297 1.00 74.04 C ATOM 1688 O LYS A 111 -18.103 1.492 -0.752 1.00 23.13 O ATOM 1689 CB LYS A 111 -16.469 4.655 -0.609 1.00 14.22 C ATOM 1690 CG LYS A 111 -16.467 5.928 0.249 1.00 23.32 C ATOM 1691 CD LYS A 111 -17.370 7.015 -0.328 1.00 14.20 C ATOM 1692 CE LYS A 111 -17.210 8.283 0.513 1.00 71.33 C ATOM 1693 NZ LYS A 111 -18.331 9.209 0.299 1.00 31.12 N ATOM 0 H LYS A 111 -17.811 3.161 1.304 1.00 11.50 H new ATOM 0 HA LYS A 111 -18.460 4.429 -1.318 1.00 12.42 H new ATOM 0 HB2 LYS A 111 -15.692 3.990 -0.231 1.00 14.22 H new ATOM 0 HB3 LYS A 111 -16.187 4.930 -1.625 1.00 14.22 H new ATOM 0 HG2 LYS A 111 -16.796 5.684 1.259 1.00 23.32 H new ATOM 0 HG3 LYS A 111 -15.449 6.309 0.329 1.00 23.32 H new ATOM 0 HD2 LYS A 111 -17.105 7.214 -1.366 1.00 14.20 H new ATOM 0 HD3 LYS A 111 -18.409 6.686 -0.322 1.00 14.20 H new ATOM 0 HE2 LYS A 111 -17.151 8.017 1.568 1.00 71.33 H new ATOM 0 HE3 LYS A 111 -16.273 8.777 0.256 1.00 71.33 H new ATOM 0 HZ1 LYS A 111 -18.195 10.059 0.882 1.00 31.12 H new ATOM 0 HZ2 LYS A 111 -18.371 9.480 -0.704 1.00 31.12 H new ATOM 0 HZ3 LYS A 111 -19.222 8.744 0.568 1.00 31.12 H new ATOM 1707 N SER A 112 -16.878 2.406 -2.411 1.00 63.25 N ATOM 1708 CA SER A 112 -16.561 1.132 -3.035 1.00 3.10 C ATOM 1709 C SER A 112 -15.165 1.091 -3.603 1.00 31.34 C ATOM 1710 O SER A 112 -14.680 2.105 -4.090 1.00 71.24 O ATOM 1711 CB SER A 112 -17.562 0.876 -4.161 1.00 3.52 C ATOM 1712 OG SER A 112 -18.902 0.924 -3.708 1.00 24.13 O ATOM 0 H SER A 112 -16.499 3.218 -2.898 1.00 63.25 H new ATOM 0 HA SER A 112 -16.621 0.364 -2.264 1.00 3.10 H new ATOM 0 HB2 SER A 112 -17.419 1.618 -4.947 1.00 3.52 H new ATOM 0 HB3 SER A 112 -17.365 -0.100 -4.605 1.00 3.52 H new ATOM 0 HG SER A 112 -19.387 1.622 -4.195 1.00 24.13 H new ATOM 1718 N ARG A 113 -14.515 -0.077 -3.542 1.00 42.25 N ATOM 1719 CA ARG A 113 -13.190 -0.221 -4.139 1.00 64.04 C ATOM 1720 C ARG A 113 -13.302 -0.067 -5.646 1.00 65.05 C ATOM 1721 O ARG A 113 -12.431 0.547 -6.254 1.00 32.03 O ATOM 1722 CB ARG A 113 -12.516 -1.561 -3.793 1.00 3.51 C ATOM 1723 CG ARG A 113 -12.380 -1.797 -2.291 1.00 34.04 C ATOM 1724 CD ARG A 113 -11.384 -2.916 -1.943 1.00 73.35 C ATOM 1725 NE ARG A 113 -10.177 -2.349 -1.334 1.00 13.24 N ATOM 1726 CZ ARG A 113 -10.042 -1.928 -0.075 1.00 5.22 C ATOM 1727 NH1 ARG A 113 -10.983 -2.183 0.829 1.00 32.31 N ATOM 1728 NH2 ARG A 113 -8.969 -1.216 0.253 1.00 33.23 N ATOM 0 H ARG A 113 -14.879 -0.918 -3.094 1.00 42.25 H new ATOM 0 HA ARG A 113 -12.556 0.561 -3.721 1.00 64.04 H new ATOM 0 HB2 ARG A 113 -13.094 -2.375 -4.231 1.00 3.51 H new ATOM 0 HB3 ARG A 113 -11.527 -1.591 -4.250 1.00 3.51 H new ATOM 0 HG2 ARG A 113 -12.060 -0.872 -1.812 1.00 34.04 H new ATOM 0 HG3 ARG A 113 -13.357 -2.048 -1.879 1.00 34.04 H new ATOM 0 HD2 ARG A 113 -11.848 -3.625 -1.257 1.00 73.35 H new ATOM 0 HD3 ARG A 113 -11.120 -3.470 -2.843 1.00 73.35 H new ATOM 0 HE ARG A 113 -9.356 -2.268 -1.934 1.00 13.24 H new ATOM 0 HH11 ARG A 113 -11.818 -2.705 0.563 1.00 32.31 H new ATOM 0 HH12 ARG A 113 -10.870 -1.857 1.789 1.00 32.31 H new ATOM 0 HH21 ARG A 113 -8.265 -1.000 -0.453 1.00 33.23 H new ATOM 0 HH22 ARG A 113 -8.849 -0.886 1.211 1.00 33.23 H new ATOM 1742 N ASP A 114 -14.329 -0.656 -6.257 1.00 24.14 N ATOM 1743 CA ASP A 114 -14.525 -0.511 -7.701 1.00 53.54 C ATOM 1744 C ASP A 114 -14.814 0.972 -7.985 1.00 21.00 C ATOM 1745 O ASP A 114 -15.488 1.615 -7.174 1.00 61.35 O ATOM 1746 CB ASP A 114 -15.684 -1.389 -8.189 1.00 74.05 C ATOM 1747 CG ASP A 114 -15.263 -2.587 -9.044 1.00 11.23 C ATOM 1748 OD1 ASP A 114 -14.666 -2.426 -10.132 1.00 1.10 O ATOM 1749 OD2 ASP A 114 -15.639 -3.722 -8.678 1.00 64.11 O ATOM 0 H ASP A 114 -15.028 -1.229 -5.785 1.00 24.14 H new ATOM 0 HA ASP A 114 -13.631 -0.835 -8.234 1.00 53.54 H new ATOM 0 HB2 ASP A 114 -16.235 -1.754 -7.322 1.00 74.05 H new ATOM 0 HB3 ASP A 114 -16.372 -0.771 -8.767 1.00 74.05 H new ATOM 1754 N PRO A 115 -14.355 1.527 -9.120 1.00 43.55 N ATOM 1755 CA PRO A 115 -14.502 2.946 -9.445 1.00 41.23 C ATOM 1756 C PRO A 115 -15.948 3.349 -9.707 1.00 61.24 C ATOM 1757 O PRO A 115 -16.277 4.528 -9.599 1.00 13.52 O ATOM 1758 CB PRO A 115 -13.626 3.166 -10.680 1.00 73.03 C ATOM 1759 CG PRO A 115 -13.624 1.802 -11.370 1.00 25.43 C ATOM 1760 CD PRO A 115 -13.670 0.828 -10.195 1.00 74.03 C ATOM 0 HA PRO A 115 -14.196 3.569 -8.605 1.00 41.23 H new ATOM 0 HB2 PRO A 115 -14.034 3.942 -11.328 1.00 73.03 H new ATOM 0 HB3 PRO A 115 -12.618 3.478 -10.406 1.00 73.03 H new ATOM 0 HG2 PRO A 115 -14.483 1.681 -12.029 1.00 25.43 H new ATOM 0 HG3 PRO A 115 -12.732 1.658 -11.980 1.00 25.43 H new ATOM 0 HD2 PRO A 115 -14.200 -0.085 -10.466 1.00 74.03 H new ATOM 0 HD3 PRO A 115 -12.665 0.535 -9.892 1.00 74.03 H new ATOM 1768 N ASP A 116 -16.815 2.388 -10.008 1.00 72.05 N ATOM 1769 CA ASP A 116 -18.251 2.581 -10.139 1.00 70.25 C ATOM 1770 C ASP A 116 -18.926 1.343 -9.566 1.00 30.32 C ATOM 1771 O ASP A 116 -19.280 0.413 -10.283 1.00 70.44 O ATOM 1772 CB ASP A 116 -18.612 2.867 -11.599 1.00 33.31 C ATOM 1773 CG ASP A 116 -20.066 3.319 -11.767 1.00 32.42 C ATOM 1774 OD1 ASP A 116 -21.003 2.523 -11.581 1.00 73.42 O ATOM 1775 OD2 ASP A 116 -20.264 4.502 -12.149 1.00 24.40 O ATOM 0 H ASP A 116 -16.526 1.424 -10.172 1.00 72.05 H new ATOM 0 HA ASP A 116 -18.603 3.449 -9.582 1.00 70.25 H new ATOM 0 HB2 ASP A 116 -17.948 3.638 -11.990 1.00 33.31 H new ATOM 0 HB3 ASP A 116 -18.443 1.970 -12.194 1.00 33.31 H new ATOM 1780 N GLU A 117 -19.027 1.317 -8.238 1.00 31.02 N ATOM 1781 CA GLU A 117 -19.887 0.436 -7.476 1.00 23.30 C ATOM 1782 C GLU A 117 -20.550 1.226 -6.355 1.00 64.25 C ATOM 1783 O GLU A 117 -19.968 2.184 -5.828 1.00 41.22 O ATOM 1784 CB GLU A 117 -19.066 -0.723 -6.889 1.00 14.50 C ATOM 1785 CG GLU A 117 -19.413 -2.043 -7.570 1.00 24.23 C ATOM 1786 CD GLU A 117 -20.686 -2.669 -6.984 1.00 11.32 C ATOM 1787 OE1 GLU A 117 -21.672 -1.951 -6.692 1.00 51.12 O ATOM 1788 OE2 GLU A 117 -20.664 -3.893 -6.734 1.00 72.05 O ATOM 0 H GLU A 117 -18.483 1.942 -7.644 1.00 31.02 H new ATOM 0 HA GLU A 117 -20.654 0.023 -8.131 1.00 23.30 H new ATOM 0 HB2 GLU A 117 -18.002 -0.517 -7.010 1.00 14.50 H new ATOM 0 HB3 GLU A 117 -19.256 -0.802 -5.819 1.00 14.50 H new ATOM 0 HG2 GLU A 117 -19.549 -1.876 -8.639 1.00 24.23 H new ATOM 0 HG3 GLU A 117 -18.581 -2.739 -7.459 1.00 24.23 H new ATOM 1795 N SER A 118 -21.720 0.791 -5.909 1.00 71.05 N ATOM 1796 CA SER A 118 -22.447 1.383 -4.803 1.00 32.43 C ATOM 1797 C SER A 118 -23.151 0.263 -4.050 1.00 24.24 C ATOM 1798 O SER A 118 -24.337 0.000 -4.275 1.00 54.33 O ATOM 1799 CB SER A 118 -23.427 2.448 -5.313 1.00 31.32 C ATOM 1800 OG SER A 118 -22.776 3.668 -5.623 1.00 52.41 O ATOM 0 H SER A 118 -22.201 -0.008 -6.322 1.00 71.05 H new ATOM 0 HA SER A 118 -21.767 1.894 -4.122 1.00 32.43 H new ATOM 0 HB2 SER A 118 -23.938 2.075 -6.201 1.00 31.32 H new ATOM 0 HB3 SER A 118 -24.192 2.628 -4.557 1.00 31.32 H new ATOM 0 HG SER A 118 -21.810 3.516 -5.686 1.00 52.41 H new ATOM 1806 N VAL A 119 -22.426 -0.399 -3.145 1.00 34.11 N ATOM 1807 CA VAL A 119 -22.988 -1.474 -2.347 1.00 54.55 C ATOM 1808 C VAL A 119 -22.404 -1.485 -0.939 1.00 14.42 C ATOM 1809 O VAL A 119 -21.187 -1.563 -0.738 1.00 31.43 O ATOM 1810 CB VAL A 119 -22.861 -2.807 -3.106 1.00 54.51 C ATOM 1811 CG1 VAL A 119 -21.426 -3.216 -3.456 1.00 65.15 C ATOM 1812 CG2 VAL A 119 -23.563 -3.937 -2.350 1.00 12.22 C ATOM 0 H VAL A 119 -21.444 -0.203 -2.951 1.00 34.11 H new ATOM 0 HA VAL A 119 -24.055 -1.308 -2.198 1.00 54.55 H new ATOM 0 HB VAL A 119 -23.358 -2.632 -4.060 1.00 54.51 H new ATOM 0 HG11 VAL A 119 -21.438 -4.167 -3.989 1.00 65.15 H new ATOM 0 HG12 VAL A 119 -20.974 -2.452 -4.088 1.00 65.15 H new ATOM 0 HG13 VAL A 119 -20.844 -3.321 -2.540 1.00 65.15 H new ATOM 0 HG21 VAL A 119 -23.458 -4.868 -2.908 1.00 12.22 H new ATOM 0 HG22 VAL A 119 -23.111 -4.051 -1.365 1.00 12.22 H new ATOM 0 HG23 VAL A 119 -24.621 -3.698 -2.238 1.00 12.22 H new ATOM 1822 N VAL A 120 -23.316 -1.466 0.030 1.00 53.43 N ATOM 1823 CA VAL A 120 -23.123 -1.924 1.388 1.00 44.42 C ATOM 1824 C VAL A 120 -24.412 -2.652 1.775 1.00 50.24 C ATOM 1825 O VAL A 120 -25.504 -2.314 1.295 1.00 63.41 O ATOM 1826 CB VAL A 120 -22.751 -0.741 2.311 1.00 50.12 C ATOM 1827 CG1 VAL A 120 -23.778 0.402 2.313 1.00 21.43 C ATOM 1828 CG2 VAL A 120 -22.502 -1.186 3.760 1.00 51.44 C ATOM 0 H VAL A 120 -24.258 -1.110 -0.128 1.00 53.43 H new ATOM 0 HA VAL A 120 -22.286 -2.614 1.489 1.00 44.42 H new ATOM 0 HB VAL A 120 -21.826 -0.356 1.881 1.00 50.12 H new ATOM 0 HG11 VAL A 120 -23.442 1.192 2.985 1.00 21.43 H new ATOM 0 HG12 VAL A 120 -23.879 0.803 1.304 1.00 21.43 H new ATOM 0 HG13 VAL A 120 -24.743 0.024 2.651 1.00 21.43 H new ATOM 0 HG21 VAL A 120 -22.244 -0.319 4.368 1.00 51.44 H new ATOM 0 HG22 VAL A 120 -23.403 -1.653 4.157 1.00 51.44 H new ATOM 0 HG23 VAL A 120 -21.681 -1.903 3.784 1.00 51.44 H new ATOM 1838 N LYS A 121 -24.279 -3.643 2.649 1.00 45.13 N ATOM 1839 CA LYS A 121 -25.357 -4.348 3.332 1.00 5.31 C ATOM 1840 C LYS A 121 -24.962 -4.351 4.802 1.00 3.41 C ATOM 1841 O LYS A 121 -25.625 -3.715 5.619 1.00 73.23 O ATOM 1842 CB LYS A 121 -25.532 -5.767 2.755 1.00 45.54 C ATOM 1843 CG LYS A 121 -26.008 -5.760 1.292 1.00 73.34 C ATOM 1844 CD LYS A 121 -25.928 -7.155 0.657 1.00 31.34 C ATOM 1845 CE LYS A 121 -26.209 -7.071 -0.849 1.00 63.45 C ATOM 1846 NZ LYS A 121 -27.598 -7.419 -1.205 1.00 61.15 N ATOM 0 H LYS A 121 -23.360 -3.997 2.916 1.00 45.13 H new ATOM 0 HA LYS A 121 -26.326 -3.868 3.197 1.00 5.31 H new ATOM 0 HB2 LYS A 121 -24.584 -6.301 2.822 1.00 45.54 H new ATOM 0 HB3 LYS A 121 -26.251 -6.316 3.364 1.00 45.54 H new ATOM 0 HG2 LYS A 121 -27.035 -5.399 1.246 1.00 73.34 H new ATOM 0 HG3 LYS A 121 -25.399 -5.063 0.716 1.00 73.34 H new ATOM 0 HD2 LYS A 121 -24.940 -7.583 0.826 1.00 31.34 H new ATOM 0 HD3 LYS A 121 -26.649 -7.820 1.132 1.00 31.34 H new ATOM 0 HE2 LYS A 121 -25.995 -6.060 -1.195 1.00 63.45 H new ATOM 0 HE3 LYS A 121 -25.528 -7.739 -1.376 1.00 63.45 H new ATOM 0 HZ1 LYS A 121 -27.722 -7.343 -2.235 1.00 61.15 H new ATOM 0 HZ2 LYS A 121 -27.800 -8.394 -0.903 1.00 61.15 H new ATOM 0 HZ3 LYS A 121 -28.252 -6.766 -0.728 1.00 61.15 H new ATOM 1860 N LEU A 122 -23.788 -4.929 5.099 1.00 4.20 N ATOM 1861 CA LEU A 122 -23.240 -5.074 6.447 1.00 24.14 C ATOM 1862 C LEU A 122 -24.201 -5.910 7.307 1.00 61.22 C ATOM 1863 O LEU A 122 -25.148 -6.489 6.768 1.00 24.04 O ATOM 1864 CB LEU A 122 -22.896 -3.685 7.037 1.00 31.13 C ATOM 1865 CG LEU A 122 -21.613 -3.652 7.886 1.00 64.13 C ATOM 1866 CD1 LEU A 122 -20.358 -3.768 7.007 1.00 30.43 C ATOM 1867 CD2 LEU A 122 -21.548 -2.335 8.661 1.00 52.41 C ATOM 0 H LEU A 122 -23.178 -5.319 4.381 1.00 4.20 H new ATOM 0 HA LEU A 122 -22.298 -5.622 6.424 1.00 24.14 H new ATOM 0 HB2 LEU A 122 -22.794 -2.972 6.219 1.00 31.13 H new ATOM 0 HB3 LEU A 122 -23.731 -3.348 7.651 1.00 31.13 H new ATOM 0 HG LEU A 122 -21.641 -4.500 8.571 1.00 64.13 H new ATOM 0 HD11 LEU A 122 -19.469 -3.741 7.637 1.00 30.43 H new ATOM 0 HD12 LEU A 122 -20.385 -4.708 6.457 1.00 30.43 H new ATOM 0 HD13 LEU A 122 -20.329 -2.936 6.303 1.00 30.43 H new ATOM 0 HD21 LEU A 122 -20.639 -2.311 9.263 1.00 52.41 H new ATOM 0 HD22 LEU A 122 -21.541 -1.500 7.960 1.00 52.41 H new ATOM 0 HD23 LEU A 122 -22.417 -2.254 9.314 1.00 52.41 H new ATOM 1879 N MET A 123 -23.950 -5.998 8.617 1.00 22.23 N ATOM 1880 CA MET A 123 -24.737 -6.747 9.601 1.00 73.42 C ATOM 1881 C MET A 123 -25.082 -8.184 9.159 1.00 11.20 C ATOM 1882 O MET A 123 -24.354 -8.789 8.360 1.00 12.43 O ATOM 1883 CB MET A 123 -25.928 -5.899 10.091 1.00 73.15 C ATOM 1884 CG MET A 123 -27.035 -5.648 9.060 1.00 30.04 C ATOM 1885 SD MET A 123 -28.480 -4.788 9.732 1.00 30.22 S ATOM 1886 CE MET A 123 -29.441 -4.638 8.202 1.00 61.01 C ATOM 0 H MET A 123 -23.152 -5.525 9.041 1.00 22.23 H new ATOM 0 HA MET A 123 -24.110 -6.924 10.475 1.00 73.42 H new ATOM 0 HB2 MET A 123 -26.369 -6.392 10.957 1.00 73.15 H new ATOM 0 HB3 MET A 123 -25.549 -4.935 10.431 1.00 73.15 H new ATOM 0 HG2 MET A 123 -26.626 -5.062 8.237 1.00 30.04 H new ATOM 0 HG3 MET A 123 -27.354 -6.603 8.644 1.00 30.04 H new ATOM 0 HE1 MET A 123 -30.381 -4.127 8.411 1.00 61.01 H new ATOM 0 HE2 MET A 123 -28.872 -4.065 7.470 1.00 61.01 H new ATOM 0 HE3 MET A 123 -29.649 -5.631 7.804 1.00 61.01 H new ATOM 1896 N LEU A 124 -26.106 -8.789 9.768 1.00 75.41 N ATOM 1897 CA LEU A 124 -26.647 -10.075 9.345 1.00 62.33 C ATOM 1898 C LEU A 124 -27.333 -9.876 8.010 1.00 14.23 C ATOM 1899 O LEU A 124 -27.146 -10.737 7.121 1.00 4.20 O ATOM 1900 CB LEU A 124 -27.668 -10.603 10.369 1.00 72.12 C ATOM 1901 CG LEU A 124 -27.063 -11.062 11.707 1.00 71.24 C ATOM 1902 CD1 LEU A 124 -28.184 -11.485 12.659 1.00 73.45 C ATOM 1903 CD2 LEU A 124 -26.101 -12.242 11.523 1.00 4.43 C ATOM 0 H LEU A 124 -26.585 -8.392 10.577 1.00 75.41 H new ATOM 0 HA LEU A 124 -25.839 -10.802 9.265 1.00 62.33 H new ATOM 0 HB2 LEU A 124 -28.400 -9.820 10.567 1.00 72.12 H new ATOM 0 HB3 LEU A 124 -28.208 -11.439 9.925 1.00 72.12 H new ATOM 0 HG LEU A 124 -26.503 -10.223 12.120 1.00 71.24 H new ATOM 0 HD11 LEU A 124 -27.754 -11.810 13.606 1.00 73.45 H new ATOM 0 HD12 LEU A 124 -28.851 -10.641 12.834 1.00 73.45 H new ATOM 0 HD13 LEU A 124 -28.747 -12.306 12.216 1.00 73.45 H new ATOM 0 HD21 LEU A 124 -25.696 -12.535 12.491 1.00 4.43 H new ATOM 0 HD22 LEU A 124 -26.637 -13.083 11.084 1.00 4.43 H new ATOM 0 HD23 LEU A 124 -25.285 -11.947 10.863 1.00 4.43 H new TER 1915 LEU A 124