USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 736 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 2 GLN : amide:sc= 0.0713 X(o=0.21,f=0.52) USER MOD Set 1.2: A 4 ASN : amide:sc= 0.137 K(o=0.21,f=-8.6!) USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.0301 (180deg=-0.284) USER MOD Single : A 9 SER OG : rot -160:sc= -0.376 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.081) USER MOD Single : A 16 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.7!) USER MOD Single : A 17 TYR OH : rot -80:sc= -1.68 USER MOD Single : A 20 HIS : no HD1:sc= -0.958 K(o=-0.96,f=-0.35) USER MOD Single : A 21 SER OG : rot -90:sc= -1.15 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 88:sc= 0.00151 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.83) USER MOD Single : A 37 SER OG : rot 31:sc= 0.621 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.43) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 60 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= -0.2 (180deg=-0.339) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.32) USER MOD Single : A 68 SER OG : rot 180:sc= 0.031 USER MOD Single : A 70 THR OG1 : rot 54:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 95 ASN : amide:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0085 X(o=-0.0085,f=-0.00025) USER MOD Single : A 100 HIS : no HD1:sc= -0.0713 X(o=-0.071,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.015) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 0.367 K(o=0.37,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.735 0.480 -1.022 1.00 0.00 N ATOM 2 CA ALA A 1 2.097 -0.002 -0.832 1.00 0.00 C ATOM 3 C ALA A 1 2.267 -1.407 -1.400 1.00 0.00 C ATOM 4 O ALA A 1 3.110 -2.175 -0.937 1.00 0.00 O ATOM 5 CB ALA A 1 2.463 0.021 0.645 1.00 0.00 C ATOM 0 H1 ALA A 1 0.589 1.340 -0.456 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.581 0.697 -2.027 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.062 -0.252 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 1 2.770 0.663 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.483 -0.342 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.391 1.041 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.778 -0.620 1.200 1.00 0.00 H new ATOM 11 N GLN A 2 1.460 -1.736 -2.403 1.00 0.00 N ATOM 12 CA GLN A 2 1.521 -3.050 -3.032 1.00 0.00 C ATOM 13 C GLN A 2 2.938 -3.365 -3.499 1.00 0.00 C ATOM 14 O GLN A 2 3.511 -2.639 -4.312 1.00 0.00 O ATOM 15 CB GLN A 2 0.554 -3.118 -4.216 1.00 0.00 C ATOM 16 CG GLN A 2 0.181 -4.536 -4.616 1.00 0.00 C ATOM 17 CD GLN A 2 1.146 -5.132 -5.621 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.538 -4.477 -6.588 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.537 -6.382 -5.398 1.00 0.00 N ATOM 0 H GLN A 2 0.757 -1.111 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 2 1.229 -3.793 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.354 -2.570 -3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.004 -2.615 -5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.154 -5.165 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.824 -4.538 -5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.188 -6.888 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.187 -6.835 -6.040 1.00 0.00 H new ATOM 28 N VAL A 3 3.500 -4.452 -2.980 1.00 0.00 N ATOM 29 CA VAL A 3 4.850 -4.864 -3.344 1.00 0.00 C ATOM 30 C VAL A 3 4.897 -6.347 -3.692 1.00 0.00 C ATOM 31 O VAL A 3 4.592 -7.200 -2.860 1.00 0.00 O ATOM 32 CB VAL A 3 5.849 -4.583 -2.206 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.244 -5.049 -2.592 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.851 -3.103 -1.853 1.00 0.00 C ATOM 0 H VAL A 3 3.040 -5.064 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 3 5.134 -4.279 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 3 5.536 -5.143 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.936 -4.842 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.228 -6.121 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.570 -4.519 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.562 -2.922 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.138 -2.521 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.854 -2.805 -1.530 1.00 0.00 H new ATOM 44 N ASN A 4 5.284 -6.648 -4.928 1.00 0.00 N ATOM 45 CA ASN A 4 5.371 -8.029 -5.387 1.00 0.00 C ATOM 46 C ASN A 4 6.803 -8.383 -5.776 1.00 0.00 C ATOM 47 O ASN A 4 7.340 -7.859 -6.752 1.00 0.00 O ATOM 48 CB ASN A 4 4.437 -8.253 -6.578 1.00 0.00 C ATOM 49 CG ASN A 4 4.360 -7.042 -7.487 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.723 -6.043 -7.155 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.010 -7.128 -8.642 1.00 0.00 N ATOM 0 H ASN A 4 5.542 -5.954 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 4 5.064 -8.678 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.783 -9.113 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.439 -8.494 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.994 -6.345 -9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.525 -7.977 -8.875 1.00 0.00 H new ATOM 58 N ILE A 5 7.416 -9.276 -5.006 1.00 0.00 N ATOM 59 CA ILE A 5 8.785 -9.701 -5.271 1.00 0.00 C ATOM 60 C ILE A 5 8.869 -11.215 -5.433 1.00 0.00 C ATOM 61 O ILE A 5 8.274 -11.966 -4.660 1.00 0.00 O ATOM 62 CB ILE A 5 9.739 -9.263 -4.144 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.648 -7.751 -3.928 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.167 -9.673 -4.470 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.136 -7.305 -2.567 1.00 0.00 C ATOM 0 H ILE A 5 6.986 -9.719 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 5 9.090 -9.221 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 5 9.441 -9.761 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.232 -7.246 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.612 -7.436 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.829 -9.357 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.219 -10.756 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.478 -9.200 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.042 -6.222 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.537 -7.782 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.181 -7.589 -2.444 1.00 0.00 H new ATOM 77 N ALA A 6 9.612 -11.657 -6.442 1.00 0.00 N ATOM 78 CA ALA A 6 9.777 -13.082 -6.703 1.00 0.00 C ATOM 79 C ALA A 6 10.947 -13.653 -5.909 1.00 0.00 C ATOM 80 O ALA A 6 12.054 -13.115 -5.913 1.00 0.00 O ATOM 81 CB ALA A 6 9.978 -13.326 -8.191 1.00 0.00 C ATOM 0 H ALA A 6 10.109 -11.049 -7.092 1.00 0.00 H new ATOM 0 HA ALA A 6 8.869 -13.593 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.100 -14.394 -8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.110 -12.962 -8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.869 -12.797 -8.529 1.00 0.00 H new ATOM 87 N PRO A 7 10.698 -14.770 -5.209 1.00 0.00 N ATOM 88 CA PRO A 7 11.719 -15.439 -4.396 1.00 0.00 C ATOM 89 C PRO A 7 12.799 -16.096 -5.248 1.00 0.00 C ATOM 90 O PRO A 7 12.925 -15.809 -6.438 1.00 0.00 O ATOM 91 CB PRO A 7 10.924 -16.499 -3.630 1.00 0.00 C ATOM 92 CG PRO A 7 9.733 -16.769 -4.483 1.00 0.00 C ATOM 93 CD PRO A 7 9.402 -15.466 -5.157 1.00 0.00 C ATOM 0 HA PRO A 7 12.251 -14.738 -3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.514 -17.402 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.631 -16.138 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.947 -17.545 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.895 -17.122 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.990 -15.623 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.663 -14.898 -4.592 1.00 0.00 H new ATOM 101 N GLY A 8 13.577 -16.981 -4.631 1.00 0.00 N ATOM 102 CA GLY A 8 14.636 -17.665 -5.349 1.00 0.00 C ATOM 103 C GLY A 8 16.006 -17.091 -5.047 1.00 0.00 C ATOM 104 O GLY A 8 17.005 -17.513 -5.629 1.00 0.00 O ATOM 0 H GLY A 8 13.492 -17.236 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.623 -18.723 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.446 -17.599 -6.420 1.00 0.00 H new ATOM 108 N SER A 9 16.053 -16.125 -4.135 1.00 0.00 N ATOM 109 CA SER A 9 17.310 -15.488 -3.761 1.00 0.00 C ATOM 110 C SER A 9 17.078 -14.398 -2.718 1.00 0.00 C ATOM 111 O SER A 9 16.654 -13.289 -3.046 1.00 0.00 O ATOM 112 CB SER A 9 17.992 -14.892 -4.994 1.00 0.00 C ATOM 113 OG SER A 9 17.055 -14.657 -6.031 1.00 0.00 O ATOM 0 H SER A 9 15.235 -15.767 -3.642 1.00 0.00 H new ATOM 0 HA SER A 9 17.959 -16.249 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.484 -13.957 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.768 -15.570 -5.348 1.00 0.00 H new ATOM 0 HG SER A 9 17.526 -14.585 -6.887 1.00 0.00 H new ATOM 119 N LEU A 10 17.358 -14.723 -1.461 1.00 0.00 N ATOM 120 CA LEU A 10 17.180 -13.773 -0.368 1.00 0.00 C ATOM 121 C LEU A 10 17.896 -12.459 -0.666 1.00 0.00 C ATOM 122 O LEU A 10 17.530 -11.408 -0.141 1.00 0.00 O ATOM 123 CB LEU A 10 17.703 -14.367 0.941 1.00 0.00 C ATOM 124 CG LEU A 10 19.200 -14.196 1.204 1.00 0.00 C ATOM 125 CD1 LEU A 10 20.012 -14.730 0.035 1.00 0.00 C ATOM 126 CD2 LEU A 10 19.532 -12.733 1.463 1.00 0.00 C ATOM 0 H LEU A 10 17.709 -15.636 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 10 16.114 -13.569 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.155 -13.914 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 10 17.472 -15.432 0.952 1.00 0.00 H new ATOM 0 HG LEU A 10 19.461 -14.770 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 10 21.075 -14.600 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.797 -15.789 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.748 -14.184 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 10 20.601 -12.630 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.255 -12.138 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.978 -12.383 2.334 1.00 0.00 H new ATOM 138 N ASP A 11 18.917 -12.527 -1.513 1.00 0.00 N ATOM 139 CA ASP A 11 19.683 -11.343 -1.884 1.00 0.00 C ATOM 140 C ASP A 11 18.855 -10.415 -2.767 1.00 0.00 C ATOM 141 O ASP A 11 18.768 -9.213 -2.513 1.00 0.00 O ATOM 142 CB ASP A 11 20.967 -11.747 -2.611 1.00 0.00 C ATOM 143 CG ASP A 11 20.701 -12.668 -3.786 1.00 0.00 C ATOM 144 OD1 ASP A 11 20.595 -13.893 -3.567 1.00 0.00 O ATOM 145 OD2 ASP A 11 20.602 -12.164 -4.925 1.00 0.00 O ATOM 0 H ASP A 11 19.233 -13.390 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 11 19.944 -10.809 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.479 -10.851 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.638 -12.242 -1.909 1.00 0.00 H new ATOM 150 N LYS A 12 18.247 -10.980 -3.805 1.00 0.00 N ATOM 151 CA LYS A 12 17.425 -10.204 -4.726 1.00 0.00 C ATOM 152 C LYS A 12 16.264 -9.540 -3.992 1.00 0.00 C ATOM 153 O LYS A 12 16.074 -8.328 -4.081 1.00 0.00 O ATOM 154 CB LYS A 12 16.889 -11.102 -5.843 1.00 0.00 C ATOM 155 CG LYS A 12 17.895 -11.359 -6.952 1.00 0.00 C ATOM 156 CD LYS A 12 17.304 -11.066 -8.321 1.00 0.00 C ATOM 157 CE LYS A 12 16.198 -12.050 -8.672 1.00 0.00 C ATOM 158 NZ LYS A 12 16.218 -12.415 -10.115 1.00 0.00 N ATOM 0 H LYS A 12 18.308 -11.973 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 12 18.049 -9.424 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.581 -12.056 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.998 -10.643 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.777 -10.738 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.225 -12.397 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.908 -10.051 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.089 -11.115 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.308 -12.951 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.231 -11.614 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.449 -13.087 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.088 -11.559 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.131 -12.854 -10.349 1.00 0.00 H new ATOM 172 N ALA A 13 15.492 -10.343 -3.267 1.00 0.00 N ATOM 173 CA ALA A 13 14.352 -9.833 -2.515 1.00 0.00 C ATOM 174 C ALA A 13 14.763 -8.671 -1.616 1.00 0.00 C ATOM 175 O ALA A 13 14.080 -7.648 -1.555 1.00 0.00 O ATOM 176 CB ALA A 13 13.724 -10.945 -1.689 1.00 0.00 C ATOM 0 H ALA A 13 15.635 -11.349 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 13 13.614 -9.464 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.874 -10.550 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.386 -11.743 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.462 -11.341 -0.991 1.00 0.00 H new ATOM 182 N LEU A 14 15.883 -8.836 -0.920 1.00 0.00 N ATOM 183 CA LEU A 14 16.385 -7.800 -0.023 1.00 0.00 C ATOM 184 C LEU A 14 16.490 -6.460 -0.743 1.00 0.00 C ATOM 185 O LEU A 14 16.001 -5.442 -0.255 1.00 0.00 O ATOM 186 CB LEU A 14 17.752 -8.201 0.535 1.00 0.00 C ATOM 187 CG LEU A 14 18.675 -7.051 0.939 1.00 0.00 C ATOM 188 CD1 LEU A 14 18.036 -6.214 2.037 1.00 0.00 C ATOM 189 CD2 LEU A 14 20.026 -7.585 1.391 1.00 0.00 C ATOM 0 H LEU A 14 16.460 -9.676 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 14 15.679 -7.694 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.594 -8.837 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.264 -8.806 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 14 18.831 -6.413 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.707 -5.400 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.093 -5.801 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.849 -6.840 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.670 -6.753 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.888 -8.245 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.489 -8.140 0.575 1.00 0.00 H new ATOM 201 N ASN A 15 17.129 -6.469 -1.909 1.00 0.00 N ATOM 202 CA ASN A 15 17.296 -5.254 -2.698 1.00 0.00 C ATOM 203 C ASN A 15 15.970 -4.818 -3.314 1.00 0.00 C ATOM 204 O ASN A 15 15.713 -3.626 -3.477 1.00 0.00 O ATOM 205 CB ASN A 15 18.334 -5.475 -3.799 1.00 0.00 C ATOM 206 CG ASN A 15 19.589 -6.152 -3.283 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.184 -5.715 -2.298 1.00 0.00 O ATOM 208 ND2 ASN A 15 19.998 -7.226 -3.949 1.00 0.00 N ATOM 0 H ASN A 15 17.539 -7.304 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 15 17.644 -4.464 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.896 -6.083 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.599 -4.515 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.836 -7.724 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.474 -7.553 -4.760 1.00 0.00 H new ATOM 215 N GLN A 16 15.132 -5.793 -3.652 1.00 0.00 N ATOM 216 CA GLN A 16 13.833 -5.510 -4.250 1.00 0.00 C ATOM 217 C GLN A 16 12.972 -4.672 -3.310 1.00 0.00 C ATOM 218 O GLN A 16 12.508 -3.592 -3.674 1.00 0.00 O ATOM 219 CB GLN A 16 13.112 -6.814 -4.595 1.00 0.00 C ATOM 220 CG GLN A 16 13.794 -7.614 -5.693 1.00 0.00 C ATOM 221 CD GLN A 16 13.080 -7.503 -7.026 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.235 -6.629 -7.219 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.418 -8.391 -7.954 1.00 0.00 N ATOM 0 H GLN A 16 15.330 -6.785 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 16 13.998 -4.942 -5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.043 -7.429 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.092 -6.585 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.821 -7.267 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.842 -8.662 -5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.124 -9.098 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.972 -8.366 -8.871 1.00 0.00 H new ATOM 232 N TYR A 17 12.762 -5.179 -2.100 1.00 0.00 N ATOM 233 CA TYR A 17 11.954 -4.478 -1.108 1.00 0.00 C ATOM 234 C TYR A 17 12.670 -3.227 -0.608 1.00 0.00 C ATOM 235 O TYR A 17 12.042 -2.199 -0.356 1.00 0.00 O ATOM 236 CB TYR A 17 11.638 -5.404 0.068 1.00 0.00 C ATOM 237 CG TYR A 17 12.599 -5.261 1.226 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.367 -4.339 2.238 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.740 -6.051 1.308 1.00 0.00 C ATOM 240 CE1 TYR A 17 13.243 -4.205 3.298 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.621 -5.925 2.365 1.00 0.00 C ATOM 242 CZ TYR A 17 14.369 -5.000 3.357 1.00 0.00 C ATOM 243 OH TYR A 17 15.243 -4.871 4.411 1.00 0.00 O ATOM 0 H TYR A 17 13.139 -6.072 -1.782 1.00 0.00 H new ATOM 0 HA TYR A 17 11.021 -4.174 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.626 -5.200 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.652 -6.437 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.486 -3.716 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.941 -6.775 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.047 -3.482 4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.502 -6.547 2.414 1.00 0.00 H new ATOM 0 HH TYR A 17 15.826 -4.098 4.259 1.00 0.00 H new ATOM 253 N ALA A 18 13.988 -3.324 -0.467 1.00 0.00 N ATOM 254 CA ALA A 18 14.790 -2.201 0.001 1.00 0.00 C ATOM 255 C ALA A 18 14.681 -1.014 -0.950 1.00 0.00 C ATOM 256 O ALA A 18 14.613 0.136 -0.518 1.00 0.00 O ATOM 257 CB ALA A 18 16.244 -2.621 0.159 1.00 0.00 C ATOM 0 H ALA A 18 14.522 -4.169 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 18 14.405 -1.891 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.832 -1.772 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.312 -3.433 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.632 -2.959 -0.802 1.00 0.00 H new ATOM 263 N ALA A 19 14.666 -1.302 -2.248 1.00 0.00 N ATOM 264 CA ALA A 19 14.564 -0.258 -3.260 1.00 0.00 C ATOM 265 C ALA A 19 13.137 0.269 -3.363 1.00 0.00 C ATOM 266 O ALA A 19 12.912 1.400 -3.797 1.00 0.00 O ATOM 267 CB ALA A 19 15.034 -0.783 -4.609 1.00 0.00 C ATOM 0 H ALA A 19 14.723 -2.249 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 19 15.208 0.569 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.952 0.007 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.073 -1.104 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.414 -1.629 -4.906 1.00 0.00 H new ATOM 273 N HIS A 20 12.176 -0.557 -2.963 1.00 0.00 N ATOM 274 CA HIS A 20 10.769 -0.173 -3.011 1.00 0.00 C ATOM 275 C HIS A 20 10.426 0.775 -1.866 1.00 0.00 C ATOM 276 O HIS A 20 9.497 1.577 -1.969 1.00 0.00 O ATOM 277 CB HIS A 20 9.878 -1.413 -2.946 1.00 0.00 C ATOM 278 CG HIS A 20 9.730 -2.115 -4.261 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.521 -1.448 -5.450 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.764 -3.432 -4.571 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.431 -2.325 -6.434 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.575 -3.536 -5.927 1.00 0.00 N ATOM 0 H HIS A 20 12.345 -1.496 -2.602 1.00 0.00 H new ATOM 0 HA HIS A 20 10.591 0.344 -3.954 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.292 -2.109 -2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.891 -1.123 -2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.912 -4.249 -3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.268 -2.091 -7.476 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.550 -4.407 -6.457 1.00 0.00 H new ATOM 290 N SER A 21 11.180 0.678 -0.776 1.00 0.00 N ATOM 291 CA SER A 21 10.953 1.524 0.390 1.00 0.00 C ATOM 292 C SER A 21 11.779 2.803 0.302 1.00 0.00 C ATOM 293 O SER A 21 11.234 3.903 0.223 1.00 0.00 O ATOM 294 CB SER A 21 11.301 0.765 1.672 1.00 0.00 C ATOM 295 OG SER A 21 11.130 1.588 2.813 1.00 0.00 O ATOM 0 H SER A 21 11.954 0.021 -0.676 1.00 0.00 H new ATOM 0 HA SER A 21 9.897 1.795 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.668 -0.118 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.332 0.415 1.623 1.00 0.00 H new ATOM 0 HG SER A 21 11.968 2.058 3.006 1.00 0.00 H new ATOM 301 N GLY A 22 13.100 2.650 0.316 1.00 0.00 N ATOM 302 CA GLY A 22 13.981 3.800 0.237 1.00 0.00 C ATOM 303 C GLY A 22 14.820 3.974 1.488 1.00 0.00 C ATOM 304 O GLY A 22 15.302 5.071 1.773 1.00 0.00 O ATOM 0 H GLY A 22 13.575 1.750 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.638 3.692 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.386 4.699 0.074 1.00 0.00 H new ATOM 308 N PHE A 23 14.994 2.891 2.237 1.00 0.00 N ATOM 309 CA PHE A 23 15.778 2.929 3.466 1.00 0.00 C ATOM 310 C PHE A 23 16.955 1.961 3.390 1.00 0.00 C ATOM 311 O PHE A 23 17.048 1.149 2.469 1.00 0.00 O ATOM 312 CB PHE A 23 14.897 2.585 4.669 1.00 0.00 C ATOM 313 CG PHE A 23 14.725 1.108 4.883 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.031 0.338 3.963 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.256 0.491 6.003 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.871 -1.021 4.158 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.099 -0.868 6.204 1.00 0.00 C ATOM 318 CZ PHE A 23 14.406 -1.625 5.279 1.00 0.00 C ATOM 0 H PHE A 23 14.603 1.976 2.015 1.00 0.00 H new ATOM 0 HA PHE A 23 16.168 3.939 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.332 3.026 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.916 3.041 4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.611 0.805 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.799 1.078 6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.328 -1.610 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.517 -1.337 7.082 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.283 -2.687 5.432 1.00 0.00 H new ATOM 328 N THR A 24 17.854 2.055 4.365 1.00 0.00 N ATOM 329 CA THR A 24 19.026 1.190 4.409 1.00 0.00 C ATOM 330 C THR A 24 18.859 0.089 5.450 1.00 0.00 C ATOM 331 O THR A 24 18.175 0.272 6.459 1.00 0.00 O ATOM 332 CB THR A 24 20.303 1.991 4.727 1.00 0.00 C ATOM 333 OG1 THR A 24 20.366 3.161 3.903 1.00 0.00 O ATOM 334 CG2 THR A 24 21.545 1.141 4.504 1.00 0.00 C ATOM 0 H THR A 24 17.793 2.722 5.135 1.00 0.00 H new ATOM 0 HA THR A 24 19.124 0.740 3.421 1.00 0.00 H new ATOM 0 HB THR A 24 20.268 2.287 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.180 3.665 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.434 1.728 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.509 0.266 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.583 0.819 3.463 1.00 0.00 H new ATOM 342 N LEU A 25 19.486 -1.055 5.201 1.00 0.00 N ATOM 343 CA LEU A 25 19.407 -2.187 6.118 1.00 0.00 C ATOM 344 C LEU A 25 20.768 -2.858 6.273 1.00 0.00 C ATOM 345 O LEU A 25 21.464 -3.108 5.289 1.00 0.00 O ATOM 346 CB LEU A 25 18.379 -3.203 5.617 1.00 0.00 C ATOM 347 CG LEU A 25 18.157 -4.427 6.506 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.895 -4.260 7.338 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.080 -5.692 5.664 1.00 0.00 C ATOM 0 H LEU A 25 20.055 -1.224 4.371 1.00 0.00 H new ATOM 0 HA LEU A 25 19.094 -1.813 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.424 -2.692 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.689 -3.547 4.630 1.00 0.00 H new ATOM 0 HG LEU A 25 19.005 -4.518 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.753 -5.141 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.990 -3.377 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.036 -4.143 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.922 -6.553 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.251 -5.611 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.012 -5.820 5.113 1.00 0.00 H new ATOM 361 N SER A 26 21.141 -3.147 7.516 1.00 0.00 N ATOM 362 CA SER A 26 22.419 -3.788 7.801 1.00 0.00 C ATOM 363 C SER A 26 22.219 -5.060 8.619 1.00 0.00 C ATOM 364 O SER A 26 21.985 -5.006 9.826 1.00 0.00 O ATOM 365 CB SER A 26 23.340 -2.825 8.552 1.00 0.00 C ATOM 366 OG SER A 26 24.350 -2.315 7.699 1.00 0.00 O ATOM 0 H SER A 26 20.576 -2.947 8.341 1.00 0.00 H new ATOM 0 HA SER A 26 22.882 -4.057 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.755 -2.001 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.799 -3.340 9.396 1.00 0.00 H new ATOM 0 HG SER A 26 24.924 -1.701 8.203 1.00 0.00 H new ATOM 372 N VAL A 27 22.312 -6.206 7.952 1.00 0.00 N ATOM 373 CA VAL A 27 22.142 -7.493 8.615 1.00 0.00 C ATOM 374 C VAL A 27 23.262 -8.458 8.239 1.00 0.00 C ATOM 375 O VAL A 27 23.664 -8.535 7.078 1.00 0.00 O ATOM 376 CB VAL A 27 20.787 -8.133 8.260 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.577 -8.138 6.753 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.701 -9.544 8.823 1.00 0.00 C ATOM 0 H VAL A 27 22.504 -6.269 6.952 1.00 0.00 H new ATOM 0 HA VAL A 27 22.175 -7.303 9.688 1.00 0.00 H new ATOM 0 HB VAL A 27 19.994 -7.537 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.614 -8.594 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.593 -7.114 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.373 -8.710 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.737 -9.981 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.501 -10.153 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.803 -9.510 9.908 1.00 0.00 H new ATOM 388 N ASP A 28 23.760 -9.191 9.228 1.00 0.00 N ATOM 389 CA ASP A 28 24.833 -10.153 9.001 1.00 0.00 C ATOM 390 C ASP A 28 24.424 -11.186 7.956 1.00 0.00 C ATOM 391 O ASP A 28 23.728 -12.153 8.263 1.00 0.00 O ATOM 392 CB ASP A 28 25.205 -10.852 10.309 1.00 0.00 C ATOM 393 CG ASP A 28 26.031 -9.969 11.224 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.248 -9.833 10.978 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.459 -9.412 12.185 1.00 0.00 O ATOM 0 H ASP A 28 23.438 -9.138 10.195 1.00 0.00 H new ATOM 0 HA ASP A 28 25.702 -9.610 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.295 -11.156 10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.763 -11.761 10.086 1.00 0.00 H new ATOM 400 N ALA A 29 24.861 -10.973 6.719 1.00 0.00 N ATOM 401 CA ALA A 29 24.542 -11.886 5.628 1.00 0.00 C ATOM 402 C ALA A 29 25.324 -13.189 5.756 1.00 0.00 C ATOM 403 O ALA A 29 25.062 -14.155 5.039 1.00 0.00 O ATOM 404 CB ALA A 29 24.827 -11.227 4.287 1.00 0.00 C ATOM 0 H ALA A 29 25.437 -10.176 6.447 1.00 0.00 H new ATOM 0 HA ALA A 29 23.480 -12.123 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.584 -11.920 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.219 -10.328 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.882 -10.960 4.230 1.00 0.00 H new ATOM 410 N SER A 30 26.286 -13.209 6.673 1.00 0.00 N ATOM 411 CA SER A 30 27.110 -14.392 6.891 1.00 0.00 C ATOM 412 C SER A 30 26.243 -15.608 7.203 1.00 0.00 C ATOM 413 O SER A 30 26.422 -16.678 6.621 1.00 0.00 O ATOM 414 CB SER A 30 28.097 -14.148 8.035 1.00 0.00 C ATOM 415 OG SER A 30 28.893 -15.296 8.275 1.00 0.00 O ATOM 0 H SER A 30 26.514 -12.419 7.277 1.00 0.00 H new ATOM 0 HA SER A 30 27.667 -14.590 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.739 -13.301 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 30 27.551 -13.884 8.941 1.00 0.00 H new ATOM 0 HG SER A 30 29.516 -15.114 9.009 1.00 0.00 H new ATOM 421 N LEU A 31 25.303 -15.435 8.126 1.00 0.00 N ATOM 422 CA LEU A 31 24.407 -16.517 8.517 1.00 0.00 C ATOM 423 C LEU A 31 23.225 -16.619 7.557 1.00 0.00 C ATOM 424 O LEU A 31 22.817 -17.715 7.170 1.00 0.00 O ATOM 425 CB LEU A 31 23.901 -16.298 9.944 1.00 0.00 C ATOM 426 CG LEU A 31 24.904 -15.688 10.924 1.00 0.00 C ATOM 427 CD1 LEU A 31 24.707 -14.183 11.023 1.00 0.00 C ATOM 428 CD2 LEU A 31 24.772 -16.336 12.294 1.00 0.00 C ATOM 0 H LEU A 31 25.142 -14.556 8.617 1.00 0.00 H new ATOM 0 HA LEU A 31 24.967 -17.451 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.024 -15.651 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.571 -17.257 10.343 1.00 0.00 H new ATOM 0 HG LEU A 31 25.910 -15.878 10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.430 -13.767 11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.853 -13.732 10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.697 -13.971 11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.493 -15.890 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.763 -16.178 12.676 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.965 -17.406 12.211 1.00 0.00 H new ATOM 440 N THR A 32 22.680 -15.469 7.174 1.00 0.00 N ATOM 441 CA THR A 32 21.547 -15.428 6.258 1.00 0.00 C ATOM 442 C THR A 32 21.862 -16.161 4.959 1.00 0.00 C ATOM 443 O THR A 32 21.064 -16.968 4.482 1.00 0.00 O ATOM 444 CB THR A 32 21.141 -13.979 5.931 1.00 0.00 C ATOM 445 OG1 THR A 32 20.783 -13.287 7.132 1.00 0.00 O ATOM 446 CG2 THR A 32 19.973 -13.951 4.956 1.00 0.00 C ATOM 0 H THR A 32 23.005 -14.553 7.484 1.00 0.00 H new ATOM 0 HA THR A 32 20.717 -15.926 6.760 1.00 0.00 H new ATOM 0 HB THR A 32 21.993 -13.483 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 32 21.584 -12.886 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 32 19.704 -12.917 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 32 20.259 -14.452 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 19.118 -14.464 5.397 1.00 0.00 H new ATOM 454 N ARG A 33 23.030 -15.876 4.393 1.00 0.00 N ATOM 455 CA ARG A 33 23.450 -16.509 3.148 1.00 0.00 C ATOM 456 C ARG A 33 23.333 -18.027 3.244 1.00 0.00 C ATOM 457 O ARG A 33 23.738 -18.630 4.237 1.00 0.00 O ATOM 458 CB ARG A 33 24.891 -16.118 2.814 1.00 0.00 C ATOM 459 CG ARG A 33 25.926 -16.788 3.702 1.00 0.00 C ATOM 460 CD ARG A 33 26.582 -17.967 3.001 1.00 0.00 C ATOM 461 NE ARG A 33 27.736 -17.558 2.206 1.00 0.00 N ATOM 462 CZ ARG A 33 28.550 -18.414 1.597 1.00 0.00 C ATOM 463 NH1 ARG A 33 28.336 -19.719 1.691 1.00 0.00 N ATOM 464 NH2 ARG A 33 29.579 -17.964 0.891 1.00 0.00 N ATOM 0 H ARG A 33 23.702 -15.211 4.776 1.00 0.00 H new ATOM 0 HA ARG A 33 22.792 -16.161 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.096 -16.374 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.995 -15.037 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.688 -16.062 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.452 -17.129 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.895 -18.701 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.853 -18.457 2.356 1.00 0.00 H new ATOM 0 HE ARG A 33 27.928 -16.561 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.545 -20.068 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.962 -20.374 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.746 -16.961 0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 33 30.203 -18.621 0.424 1.00 0.00 H new ATOM 478 N GLY A 34 22.775 -18.639 2.203 1.00 0.00 N ATOM 479 CA GLY A 34 22.614 -20.081 2.190 1.00 0.00 C ATOM 480 C GLY A 34 21.267 -20.509 1.642 1.00 0.00 C ATOM 481 O GLY A 34 21.180 -21.449 0.851 1.00 0.00 O ATOM 0 H GLY A 34 22.432 -18.162 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.406 -20.526 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.729 -20.466 3.203 1.00 0.00 H new ATOM 485 N LYS A 35 20.212 -19.819 2.062 1.00 0.00 N ATOM 486 CA LYS A 35 18.862 -20.132 1.609 1.00 0.00 C ATOM 487 C LYS A 35 18.211 -18.916 0.959 1.00 0.00 C ATOM 488 O LYS A 35 18.780 -17.824 0.956 1.00 0.00 O ATOM 489 CB LYS A 35 18.007 -20.615 2.783 1.00 0.00 C ATOM 490 CG LYS A 35 17.586 -19.503 3.727 1.00 0.00 C ATOM 491 CD LYS A 35 17.728 -19.922 5.181 1.00 0.00 C ATOM 492 CE LYS A 35 18.160 -18.757 6.057 1.00 0.00 C ATOM 493 NZ LYS A 35 18.082 -19.094 7.506 1.00 0.00 N ATOM 0 H LYS A 35 20.266 -19.038 2.716 1.00 0.00 H new ATOM 0 HA LYS A 35 18.930 -20.927 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.115 -21.107 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.565 -21.364 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.194 -18.617 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.551 -19.227 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.778 -20.317 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.458 -20.728 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.181 -18.472 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.528 -17.893 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.385 -18.274 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.102 -19.341 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.705 -19.902 7.708 1.00 0.00 H new ATOM 507 N GLN A 36 17.016 -19.112 0.411 1.00 0.00 N ATOM 508 CA GLN A 36 16.288 -18.030 -0.241 1.00 0.00 C ATOM 509 C GLN A 36 15.311 -17.370 0.727 1.00 0.00 C ATOM 510 O GLN A 36 15.180 -17.792 1.876 1.00 0.00 O ATOM 511 CB GLN A 36 15.536 -18.557 -1.464 1.00 0.00 C ATOM 512 CG GLN A 36 16.447 -19.110 -2.547 1.00 0.00 C ATOM 513 CD GLN A 36 16.956 -20.502 -2.227 1.00 0.00 C ATOM 514 OE1 GLN A 36 16.178 -21.401 -1.905 1.00 0.00 O ATOM 515 NE2 GLN A 36 18.268 -20.688 -2.315 1.00 0.00 N ATOM 0 H GLN A 36 16.532 -20.010 0.406 1.00 0.00 H new ATOM 0 HA GLN A 36 17.012 -17.282 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.846 -19.339 -1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.933 -17.752 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.907 -19.133 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.295 -18.439 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.876 -19.915 -2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.668 -21.604 -2.112 1.00 0.00 H new ATOM 524 N SER A 37 14.627 -16.333 0.255 1.00 0.00 N ATOM 525 CA SER A 37 13.664 -15.613 1.080 1.00 0.00 C ATOM 526 C SER A 37 12.277 -15.642 0.447 1.00 0.00 C ATOM 527 O SER A 37 12.141 -15.730 -0.773 1.00 0.00 O ATOM 528 CB SER A 37 14.115 -14.164 1.280 1.00 0.00 C ATOM 529 OG SER A 37 13.173 -13.439 2.050 1.00 0.00 O ATOM 0 H SER A 37 14.722 -15.972 -0.694 1.00 0.00 H new ATOM 0 HA SER A 37 13.612 -16.108 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.085 -14.147 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.244 -13.683 0.311 1.00 0.00 H new ATOM 0 HG SER A 37 12.726 -14.046 2.677 1.00 0.00 H new ATOM 535 N ASN A 38 11.249 -15.568 1.286 1.00 0.00 N ATOM 536 CA ASN A 38 9.870 -15.587 0.809 1.00 0.00 C ATOM 537 C ASN A 38 9.493 -14.248 0.183 1.00 0.00 C ATOM 538 O ASN A 38 9.400 -13.233 0.871 1.00 0.00 O ATOM 539 CB ASN A 38 8.915 -15.911 1.960 1.00 0.00 C ATOM 540 CG ASN A 38 7.645 -16.588 1.484 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.723 -15.932 0.998 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.591 -17.908 1.621 1.00 0.00 N ATOM 0 H ASN A 38 11.344 -15.494 2.299 1.00 0.00 H new ATOM 0 HA ASN A 38 9.786 -16.361 0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.421 -16.557 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.658 -14.991 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.762 -18.419 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.379 -18.411 2.029 1.00 0.00 H new ATOM 549 N GLY A 39 9.277 -14.255 -1.129 1.00 0.00 N ATOM 550 CA GLY A 39 8.912 -13.036 -1.827 1.00 0.00 C ATOM 551 C GLY A 39 7.699 -12.361 -1.220 1.00 0.00 C ATOM 552 O GLY A 39 6.926 -12.990 -0.495 1.00 0.00 O ATOM 0 H GLY A 39 9.348 -15.083 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.755 -12.345 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.710 -13.267 -2.873 1.00 0.00 H new ATOM 556 N LEU A 40 7.530 -11.076 -1.512 1.00 0.00 N ATOM 557 CA LEU A 40 6.402 -10.314 -0.988 1.00 0.00 C ATOM 558 C LEU A 40 5.252 -10.284 -1.990 1.00 0.00 C ATOM 559 O LEU A 40 5.459 -10.440 -3.194 1.00 0.00 O ATOM 560 CB LEU A 40 6.838 -8.887 -0.652 1.00 0.00 C ATOM 561 CG LEU A 40 5.903 -8.098 0.266 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.636 -8.872 1.548 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.492 -6.730 0.579 1.00 0.00 C ATOM 0 H LEU A 40 8.160 -10.540 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 40 6.054 -10.805 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.822 -8.930 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.951 -8.334 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 40 4.954 -7.953 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.969 -8.295 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.171 -9.827 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.577 -9.049 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.813 -6.183 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.454 -6.853 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.631 -6.173 -0.348 1.00 0.00 H new ATOM 575 N HIS A 41 4.039 -10.080 -1.485 1.00 0.00 N ATOM 576 CA HIS A 41 2.856 -10.027 -2.336 1.00 0.00 C ATOM 577 C HIS A 41 1.697 -9.346 -1.614 1.00 0.00 C ATOM 578 O HIS A 41 1.032 -9.954 -0.777 1.00 0.00 O ATOM 579 CB HIS A 41 2.447 -11.436 -2.767 1.00 0.00 C ATOM 580 CG HIS A 41 2.230 -11.572 -4.242 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.984 -11.508 -4.829 1.00 0.00 N ATOM 582 CD2 HIS A 41 3.110 -11.769 -5.252 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.106 -11.661 -6.136 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.387 -11.820 -6.418 1.00 0.00 N ATOM 0 H HIS A 41 3.850 -9.949 -0.491 1.00 0.00 H new ATOM 0 HA HIS A 41 3.103 -9.442 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.218 -12.141 -2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.531 -11.715 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.181 -11.868 -5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.297 -11.657 -6.851 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.776 -11.958 -7.351 1.00 0.00 H new ATOM 592 N GLY A 42 1.463 -8.079 -1.943 1.00 0.00 N ATOM 593 CA GLY A 42 0.385 -7.337 -1.316 1.00 0.00 C ATOM 594 C GLY A 42 0.832 -5.978 -0.814 1.00 0.00 C ATOM 595 O GLY A 42 1.994 -5.603 -0.971 1.00 0.00 O ATOM 0 H GLY A 42 2.001 -7.554 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.427 -7.208 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.014 -7.916 -0.483 1.00 0.00 H new ATOM 599 N ASP A 43 -0.092 -5.239 -0.211 1.00 0.00 N ATOM 600 CA ASP A 43 0.213 -3.913 0.315 1.00 0.00 C ATOM 601 C ASP A 43 0.866 -4.011 1.691 1.00 0.00 C ATOM 602 O ASP A 43 0.191 -4.248 2.693 1.00 0.00 O ATOM 603 CB ASP A 43 -1.060 -3.070 0.400 1.00 0.00 C ATOM 604 CG ASP A 43 -1.885 -3.139 -0.870 1.00 0.00 C ATOM 605 OD1 ASP A 43 -1.658 -2.305 -1.771 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.760 -4.026 -0.962 1.00 0.00 O ATOM 0 H ASP A 43 -1.058 -5.535 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 43 0.914 -3.431 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.663 -3.412 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.793 -2.032 0.600 1.00 0.00 H new ATOM 611 N TYR A 44 2.181 -3.829 1.730 1.00 0.00 N ATOM 612 CA TYR A 44 2.925 -3.900 2.982 1.00 0.00 C ATOM 613 C TYR A 44 3.950 -2.773 3.071 1.00 0.00 C ATOM 614 O TYR A 44 4.748 -2.571 2.156 1.00 0.00 O ATOM 615 CB TYR A 44 3.627 -5.253 3.106 1.00 0.00 C ATOM 616 CG TYR A 44 2.676 -6.429 3.127 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.852 -6.662 4.221 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.601 -7.306 2.052 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.982 -7.735 4.245 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.734 -8.381 2.067 1.00 0.00 C ATOM 621 CZ TYR A 44 0.927 -8.591 3.165 1.00 0.00 C ATOM 622 OH TYR A 44 0.061 -9.661 3.184 1.00 0.00 O ATOM 0 H TYR A 44 2.754 -3.631 0.909 1.00 0.00 H new ATOM 0 HA TYR A 44 2.217 -3.789 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.319 -5.371 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.222 -5.262 4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.892 -5.993 5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.231 -7.144 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.349 -7.902 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.688 -9.054 1.223 1.00 0.00 H new ATOM 0 HH TYR A 44 0.144 -10.164 2.347 1.00 0.00 H new ATOM 632 N ASP A 45 3.920 -2.042 4.180 1.00 0.00 N ATOM 633 CA ASP A 45 4.846 -0.936 4.392 1.00 0.00 C ATOM 634 C ASP A 45 6.289 -1.432 4.415 1.00 0.00 C ATOM 635 O ASP A 45 6.554 -2.612 4.186 1.00 0.00 O ATOM 636 CB ASP A 45 4.521 -0.214 5.700 1.00 0.00 C ATOM 637 CG ASP A 45 3.107 0.333 5.724 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.722 1.026 4.759 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.385 0.067 6.707 1.00 0.00 O ATOM 0 H ASP A 45 3.264 -2.196 4.946 1.00 0.00 H new ATOM 0 HA ASP A 45 4.734 -0.237 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.655 -0.902 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.226 0.604 5.845 1.00 0.00 H new ATOM 644 N VAL A 46 7.218 -0.522 4.692 1.00 0.00 N ATOM 645 CA VAL A 46 8.633 -0.867 4.745 1.00 0.00 C ATOM 646 C VAL A 46 8.897 -1.947 5.788 1.00 0.00 C ATOM 647 O VAL A 46 9.601 -2.921 5.523 1.00 0.00 O ATOM 648 CB VAL A 46 9.499 0.365 5.067 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.000 1.054 6.329 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.960 -0.033 5.210 1.00 0.00 C ATOM 0 H VAL A 46 7.016 0.459 4.883 1.00 0.00 H new ATOM 0 HA VAL A 46 8.904 -1.245 3.759 1.00 0.00 H new ATOM 0 HB VAL A 46 9.418 1.070 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.624 1.922 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.968 1.375 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.049 0.359 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.557 0.850 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.062 -0.758 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.309 -0.477 4.278 1.00 0.00 H new ATOM 660 N GLU A 47 8.327 -1.767 6.975 1.00 0.00 N ATOM 661 CA GLU A 47 8.501 -2.727 8.059 1.00 0.00 C ATOM 662 C GLU A 47 7.676 -3.986 7.808 1.00 0.00 C ATOM 663 O GLU A 47 8.196 -5.101 7.857 1.00 0.00 O ATOM 664 CB GLU A 47 8.101 -2.099 9.396 1.00 0.00 C ATOM 665 CG GLU A 47 9.058 -1.020 9.872 1.00 0.00 C ATOM 666 CD GLU A 47 8.570 -0.319 11.126 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.114 -1.016 12.056 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.645 0.926 11.175 1.00 0.00 O ATOM 0 H GLU A 47 7.741 -0.966 7.211 1.00 0.00 H new ATOM 0 HA GLU A 47 9.554 -3.005 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.103 -1.672 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.044 -2.882 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.034 -1.465 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.194 -0.285 9.079 1.00 0.00 H new ATOM 675 N SER A 48 6.388 -3.799 7.541 1.00 0.00 N ATOM 676 CA SER A 48 5.489 -4.919 7.287 1.00 0.00 C ATOM 677 C SER A 48 6.033 -5.810 6.174 1.00 0.00 C ATOM 678 O SER A 48 6.145 -7.025 6.335 1.00 0.00 O ATOM 679 CB SER A 48 4.097 -4.408 6.912 1.00 0.00 C ATOM 680 OG SER A 48 3.085 -5.219 7.483 1.00 0.00 O ATOM 0 H SER A 48 5.943 -2.882 7.495 1.00 0.00 H new ATOM 0 HA SER A 48 5.417 -5.510 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.979 -3.380 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.990 -4.397 5.827 1.00 0.00 H new ATOM 0 HG SER A 48 2.205 -4.870 7.230 1.00 0.00 H new ATOM 686 N GLY A 49 6.369 -5.196 5.043 1.00 0.00 N ATOM 687 CA GLY A 49 6.897 -5.948 3.920 1.00 0.00 C ATOM 688 C GLY A 49 8.220 -6.615 4.239 1.00 0.00 C ATOM 689 O GLY A 49 8.446 -7.769 3.874 1.00 0.00 O ATOM 0 H GLY A 49 6.285 -4.192 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.173 -6.707 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.026 -5.280 3.068 1.00 0.00 H new ATOM 693 N LEU A 50 9.099 -5.887 4.920 1.00 0.00 N ATOM 694 CA LEU A 50 10.408 -6.415 5.287 1.00 0.00 C ATOM 695 C LEU A 50 10.270 -7.665 6.149 1.00 0.00 C ATOM 696 O LEU A 50 10.934 -8.673 5.907 1.00 0.00 O ATOM 697 CB LEU A 50 11.216 -5.353 6.035 1.00 0.00 C ATOM 698 CG LEU A 50 12.254 -5.876 7.029 1.00 0.00 C ATOM 699 CD1 LEU A 50 13.259 -6.775 6.328 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.961 -4.719 7.719 1.00 0.00 C ATOM 0 H LEU A 50 8.929 -4.930 5.229 1.00 0.00 H new ATOM 0 HA LEU A 50 10.933 -6.685 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.727 -4.730 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.521 -4.708 6.572 1.00 0.00 H new ATOM 0 HG LEU A 50 11.738 -6.465 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.989 -7.137 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.739 -7.623 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.770 -6.211 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.696 -5.109 8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.464 -4.103 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.230 -4.114 8.256 1.00 0.00 H new ATOM 712 N GLN A 51 9.402 -7.593 7.152 1.00 0.00 N ATOM 713 CA GLN A 51 9.175 -8.720 8.049 1.00 0.00 C ATOM 714 C GLN A 51 8.547 -9.892 7.302 1.00 0.00 C ATOM 715 O GLN A 51 8.681 -11.044 7.712 1.00 0.00 O ATOM 716 CB GLN A 51 8.275 -8.300 9.213 1.00 0.00 C ATOM 717 CG GLN A 51 8.812 -7.116 10.000 1.00 0.00 C ATOM 718 CD GLN A 51 9.473 -7.531 11.300 1.00 0.00 C ATOM 719 OE1 GLN A 51 9.015 -7.172 12.385 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.556 -8.292 11.197 1.00 0.00 N ATOM 0 H GLN A 51 8.844 -6.766 7.364 1.00 0.00 H new ATOM 0 HA GLN A 51 10.140 -9.039 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.287 -8.050 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.148 -9.147 9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.532 -6.574 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.995 -6.427 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.901 -8.566 10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.043 -8.603 12.038 1.00 0.00 H new ATOM 729 N GLN A 52 7.861 -9.588 6.204 1.00 0.00 N ATOM 730 CA GLN A 52 7.211 -10.617 5.401 1.00 0.00 C ATOM 731 C GLN A 52 8.231 -11.373 4.556 1.00 0.00 C ATOM 732 O GLN A 52 8.020 -12.533 4.199 1.00 0.00 O ATOM 733 CB GLN A 52 6.146 -9.993 4.498 1.00 0.00 C ATOM 734 CG GLN A 52 4.727 -10.184 5.009 1.00 0.00 C ATOM 735 CD GLN A 52 4.394 -11.639 5.276 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.013 -12.006 6.388 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.537 -12.476 4.255 1.00 0.00 N ATOM 0 H GLN A 52 7.741 -8.639 5.851 1.00 0.00 H new ATOM 0 HA GLN A 52 6.733 -11.323 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.347 -8.926 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.226 -10.428 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.595 -9.611 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.025 -9.783 4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.856 -12.128 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.328 -13.467 4.375 1.00 0.00 H new ATOM 746 N LEU A 53 9.338 -10.710 4.240 1.00 0.00 N ATOM 747 CA LEU A 53 10.392 -11.319 3.436 1.00 0.00 C ATOM 748 C LEU A 53 11.165 -12.355 4.247 1.00 0.00 C ATOM 749 O LEU A 53 11.275 -13.515 3.848 1.00 0.00 O ATOM 750 CB LEU A 53 11.348 -10.245 2.915 1.00 0.00 C ATOM 751 CG LEU A 53 11.264 -9.941 1.419 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.819 -9.989 0.945 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.882 -8.584 1.115 1.00 0.00 C ATOM 0 H LEU A 53 9.529 -9.750 4.528 1.00 0.00 H new ATOM 0 HA LEU A 53 9.925 -11.822 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.160 -9.322 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.368 -10.552 3.146 1.00 0.00 H new ATOM 0 HG LEU A 53 11.827 -10.703 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.779 -9.770 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.409 -10.982 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.233 -9.249 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.813 -8.384 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.347 -7.809 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.929 -8.585 1.417 1.00 0.00 H new ATOM 765 N LEU A 54 11.697 -11.929 5.387 1.00 0.00 N ATOM 766 CA LEU A 54 12.459 -12.819 6.256 1.00 0.00 C ATOM 767 C LEU A 54 11.528 -13.689 7.095 1.00 0.00 C ATOM 768 O LEU A 54 11.978 -14.566 7.832 1.00 0.00 O ATOM 769 CB LEU A 54 13.379 -12.008 7.170 1.00 0.00 C ATOM 770 CG LEU A 54 12.831 -11.688 8.561 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.370 -11.275 8.477 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.997 -12.884 9.488 1.00 0.00 C ATOM 0 H LEU A 54 11.615 -10.972 5.731 1.00 0.00 H new ATOM 0 HA LEU A 54 13.065 -13.470 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.315 -12.554 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.618 -11.069 6.671 1.00 0.00 H new ATOM 0 HG LEU A 54 13.400 -10.854 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.997 -11.051 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.278 -10.389 7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.786 -12.088 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.602 -12.638 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.454 -13.737 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.054 -13.134 9.573 1.00 0.00 H new ATOM 784 N ASP A 55 10.228 -13.441 6.976 1.00 0.00 N ATOM 785 CA ASP A 55 9.233 -14.203 7.720 1.00 0.00 C ATOM 786 C ASP A 55 9.499 -15.701 7.607 1.00 0.00 C ATOM 787 O ASP A 55 9.437 -16.273 6.520 1.00 0.00 O ATOM 788 CB ASP A 55 7.827 -13.883 7.210 1.00 0.00 C ATOM 789 CG ASP A 55 6.832 -14.981 7.527 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.363 -15.042 8.684 1.00 0.00 O ATOM 791 OD2 ASP A 55 6.520 -15.779 6.619 1.00 0.00 O ATOM 0 H ASP A 55 9.839 -12.718 6.371 1.00 0.00 H new ATOM 0 HA ASP A 55 9.304 -13.917 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.486 -12.948 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.861 -13.728 6.132 1.00 0.00 H new ATOM 796 N GLY A 56 9.798 -16.331 8.740 1.00 0.00 N ATOM 797 CA GLY A 56 10.071 -17.756 8.746 1.00 0.00 C ATOM 798 C GLY A 56 10.884 -18.186 9.951 1.00 0.00 C ATOM 799 O GLY A 56 10.785 -19.328 10.400 1.00 0.00 O ATOM 0 H GLY A 56 9.856 -15.880 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.128 -18.303 8.734 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.607 -18.024 7.836 1.00 0.00 H new ATOM 803 N SER A 57 11.691 -17.269 10.475 1.00 0.00 N ATOM 804 CA SER A 57 12.529 -17.561 11.633 1.00 0.00 C ATOM 805 C SER A 57 12.038 -16.805 12.863 1.00 0.00 C ATOM 806 O SER A 57 12.023 -17.341 13.970 1.00 0.00 O ATOM 807 CB SER A 57 13.985 -17.193 11.341 1.00 0.00 C ATOM 808 OG SER A 57 14.069 -15.969 10.631 1.00 0.00 O ATOM 0 H SER A 57 11.783 -16.318 10.117 1.00 0.00 H new ATOM 0 HA SER A 57 12.466 -18.630 11.836 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.538 -17.113 12.277 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.455 -17.987 10.760 1.00 0.00 H new ATOM 0 HG SER A 57 15.010 -15.755 10.458 1.00 0.00 H new ATOM 814 N GLY A 58 11.638 -15.553 12.660 1.00 0.00 N ATOM 815 CA GLY A 58 11.152 -14.742 13.761 1.00 0.00 C ATOM 816 C GLY A 58 12.263 -13.979 14.454 1.00 0.00 C ATOM 817 O GLY A 58 12.919 -14.505 15.355 1.00 0.00 O ATOM 0 H GLY A 58 11.642 -15.086 11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.409 -14.037 13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.649 -15.382 14.485 1.00 0.00 H new ATOM 821 N LEU A 59 12.478 -12.738 14.033 1.00 0.00 N ATOM 822 CA LEU A 59 13.520 -11.901 14.619 1.00 0.00 C ATOM 823 C LEU A 59 13.014 -10.479 14.844 1.00 0.00 C ATOM 824 O LEU A 59 11.904 -10.135 14.440 1.00 0.00 O ATOM 825 CB LEU A 59 14.752 -11.879 13.713 1.00 0.00 C ATOM 826 CG LEU A 59 15.639 -13.124 13.755 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.401 -13.990 12.528 1.00 0.00 C ATOM 828 CD2 LEU A 59 17.106 -12.731 13.857 1.00 0.00 C ATOM 0 H LEU A 59 11.945 -12.289 13.288 1.00 0.00 H new ATOM 0 HA LEU A 59 13.794 -12.326 15.585 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.420 -11.729 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.360 -11.015 13.981 1.00 0.00 H new ATOM 0 HG LEU A 59 15.377 -13.704 14.640 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.041 -14.871 12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.357 -14.301 12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.635 -13.420 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.722 -13.630 13.886 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.382 -12.129 12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.265 -12.153 14.767 1.00 0.00 H new ATOM 840 N GLN A 60 13.838 -9.659 15.489 1.00 0.00 N ATOM 841 CA GLN A 60 13.474 -8.275 15.766 1.00 0.00 C ATOM 842 C GLN A 60 14.284 -7.316 14.899 1.00 0.00 C ATOM 843 O GLN A 60 15.449 -7.569 14.596 1.00 0.00 O ATOM 844 CB GLN A 60 13.694 -7.954 17.245 1.00 0.00 C ATOM 845 CG GLN A 60 15.152 -7.719 17.607 1.00 0.00 C ATOM 846 CD GLN A 60 15.553 -8.414 18.893 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.362 -7.880 19.986 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.112 -9.612 18.770 1.00 0.00 N ATOM 0 H GLN A 60 14.761 -9.929 15.829 1.00 0.00 H new ATOM 0 HA GLN A 60 12.418 -8.148 15.528 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.116 -7.067 17.505 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.307 -8.775 17.848 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.786 -8.073 16.794 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.330 -6.648 17.706 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.251 -10.017 17.844 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.402 -10.127 19.601 1.00 0.00 H new ATOM 857 N VAL A 61 13.657 -6.212 14.503 1.00 0.00 N ATOM 858 CA VAL A 61 14.320 -5.214 13.672 1.00 0.00 C ATOM 859 C VAL A 61 14.219 -3.826 14.294 1.00 0.00 C ATOM 860 O VAL A 61 13.123 -3.332 14.564 1.00 0.00 O ATOM 861 CB VAL A 61 13.717 -5.174 12.255 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.647 -4.442 11.299 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.431 -6.583 11.758 1.00 0.00 C ATOM 0 H VAL A 61 12.692 -5.987 14.744 1.00 0.00 H new ATOM 0 HA VAL A 61 15.369 -5.504 13.605 1.00 0.00 H new ATOM 0 HB VAL A 61 12.774 -4.629 12.296 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.204 -4.424 10.303 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.797 -3.420 11.648 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.607 -4.957 11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.005 -6.536 10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.359 -7.155 11.732 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.724 -7.069 12.430 1.00 0.00 H new ATOM 873 N LYS A 62 15.368 -3.200 14.519 1.00 0.00 N ATOM 874 CA LYS A 62 15.412 -1.867 15.109 1.00 0.00 C ATOM 875 C LYS A 62 16.380 -0.966 14.348 1.00 0.00 C ATOM 876 O LYS A 62 17.431 -1.401 13.879 1.00 0.00 O ATOM 877 CB LYS A 62 15.825 -1.950 16.580 1.00 0.00 C ATOM 878 CG LYS A 62 16.985 -2.898 16.833 1.00 0.00 C ATOM 879 CD LYS A 62 16.519 -4.186 17.489 1.00 0.00 C ATOM 880 CE LYS A 62 17.523 -4.681 18.519 1.00 0.00 C ATOM 881 NZ LYS A 62 18.877 -4.866 17.929 1.00 0.00 N ATOM 0 H LYS A 62 16.283 -3.595 14.302 1.00 0.00 H new ATOM 0 HA LYS A 62 14.413 -1.435 15.043 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.098 -0.954 16.929 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.968 -2.272 17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.481 -3.128 15.890 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.723 -2.410 17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.554 -4.023 17.969 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.371 -4.951 16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.580 -3.969 19.342 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.177 -5.626 18.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.511 -5.284 18.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.814 -5.499 17.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.253 -3.944 17.628 1.00 0.00 H new ATOM 895 N PRO A 63 16.019 0.320 14.223 1.00 0.00 N ATOM 896 CA PRO A 63 16.844 1.308 13.521 1.00 0.00 C ATOM 897 C PRO A 63 18.124 1.639 14.280 1.00 0.00 C ATOM 898 O PRO A 63 18.228 1.386 15.481 1.00 0.00 O ATOM 899 CB PRO A 63 15.935 2.537 13.444 1.00 0.00 C ATOM 900 CG PRO A 63 14.995 2.387 14.590 1.00 0.00 C ATOM 901 CD PRO A 63 14.779 0.908 14.757 1.00 0.00 C ATOM 0 HA PRO A 63 17.177 0.945 12.549 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.510 3.460 13.522 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.400 2.574 12.495 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.412 2.825 15.497 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.053 2.899 14.392 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.625 0.640 15.802 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.902 0.565 14.207 1.00 0.00 H new ATOM 909 N LEU A 64 19.095 2.206 13.574 1.00 0.00 N ATOM 910 CA LEU A 64 20.370 2.573 14.182 1.00 0.00 C ATOM 911 C LEU A 64 20.704 4.035 13.906 1.00 0.00 C ATOM 912 O LEU A 64 20.781 4.849 14.826 1.00 0.00 O ATOM 913 CB LEU A 64 21.488 1.673 13.652 1.00 0.00 C ATOM 914 CG LEU A 64 21.097 0.227 13.344 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.233 -0.493 12.633 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.715 -0.506 14.621 1.00 0.00 C ATOM 0 H LEU A 64 19.025 2.422 12.580 1.00 0.00 H new ATOM 0 HA LEU A 64 20.283 2.437 15.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.888 2.122 12.743 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.296 1.662 14.384 1.00 0.00 H new ATOM 0 HG LEU A 64 20.231 0.238 12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.937 -1.521 12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.459 0.019 11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.118 -0.494 13.269 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.440 -1.533 14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.562 -0.507 15.307 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.869 -0.003 15.090 1.00 0.00 H new ATOM 928 N GLY A 65 20.900 4.362 12.633 1.00 0.00 N ATOM 929 CA GLY A 65 21.222 5.727 12.258 1.00 0.00 C ATOM 930 C GLY A 65 20.291 6.270 11.193 1.00 0.00 C ATOM 931 O GLY A 65 19.098 6.452 11.435 1.00 0.00 O ATOM 0 H GLY A 65 20.842 3.706 11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.171 6.365 13.140 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.249 5.768 11.894 1.00 0.00 H new ATOM 935 N ASN A 66 20.837 6.533 10.010 1.00 0.00 N ATOM 936 CA ASN A 66 20.047 7.061 8.904 1.00 0.00 C ATOM 937 C ASN A 66 19.155 5.977 8.305 1.00 0.00 C ATOM 938 O ASN A 66 19.561 5.260 7.391 1.00 0.00 O ATOM 939 CB ASN A 66 20.965 7.636 7.823 1.00 0.00 C ATOM 940 CG ASN A 66 20.632 9.078 7.489 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.241 10.006 8.021 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.661 9.271 6.604 1.00 0.00 N ATOM 0 H ASN A 66 21.823 6.389 9.793 1.00 0.00 H new ATOM 0 HA ASN A 66 19.411 7.856 9.293 1.00 0.00 H new ATOM 0 HB2 ASN A 66 22.000 7.573 8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.885 7.029 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.393 10.219 6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.183 8.471 6.188 1.00 0.00 H new ATOM 949 N ASN A 67 17.938 5.865 8.827 1.00 0.00 N ATOM 950 CA ASN A 67 16.989 4.869 8.345 1.00 0.00 C ATOM 951 C ASN A 67 17.661 3.509 8.185 1.00 0.00 C ATOM 952 O ASN A 67 17.278 2.712 7.329 1.00 0.00 O ATOM 953 CB ASN A 67 16.387 5.312 7.010 1.00 0.00 C ATOM 954 CG ASN A 67 14.870 5.308 7.029 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.231 6.302 6.683 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.287 4.187 7.436 1.00 0.00 N ATOM 0 H ASN A 67 17.586 6.452 9.584 1.00 0.00 H new ATOM 0 HA ASN A 67 16.192 4.776 9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.742 6.314 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.739 4.651 6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.269 4.125 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.857 3.388 7.714 1.00 0.00 H new ATOM 963 N SER A 68 18.665 3.250 9.016 1.00 0.00 N ATOM 964 CA SER A 68 19.394 1.988 8.966 1.00 0.00 C ATOM 965 C SER A 68 18.836 0.998 9.985 1.00 0.00 C ATOM 966 O SER A 68 18.952 1.203 11.193 1.00 0.00 O ATOM 967 CB SER A 68 20.882 2.223 9.229 1.00 0.00 C ATOM 968 OG SER A 68 21.146 3.592 9.479 1.00 0.00 O ATOM 0 H SER A 68 18.993 3.898 9.733 1.00 0.00 H new ATOM 0 HA SER A 68 19.271 1.565 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.202 1.626 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.464 1.888 8.370 1.00 0.00 H new ATOM 0 HG SER A 68 22.104 3.715 9.646 1.00 0.00 H new ATOM 974 N TRP A 69 18.231 -0.074 9.488 1.00 0.00 N ATOM 975 CA TRP A 69 17.655 -1.097 10.354 1.00 0.00 C ATOM 976 C TRP A 69 18.507 -2.361 10.344 1.00 0.00 C ATOM 977 O TRP A 69 19.149 -2.682 9.344 1.00 0.00 O ATOM 978 CB TRP A 69 16.228 -1.425 9.911 1.00 0.00 C ATOM 979 CG TRP A 69 15.296 -0.255 9.998 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.420 0.942 9.352 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.097 -0.170 10.776 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.371 1.766 9.683 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.545 1.106 10.554 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.436 -1.049 11.638 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.365 1.523 11.164 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.265 -0.634 12.243 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.738 0.642 12.003 1.00 0.00 C ATOM 0 H TRP A 69 18.126 -0.258 8.490 1.00 0.00 H new ATOM 0 HA TRP A 69 17.631 -0.706 11.371 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.249 -1.788 8.884 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.841 -2.236 10.528 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.224 1.203 8.680 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.230 2.715 9.336 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.833 -2.035 11.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.959 2.507 10.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.747 -1.305 12.912 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.820 0.936 12.489 1.00 0.00 H new ATOM 998 N THR A 70 18.508 -3.077 11.464 1.00 0.00 N ATOM 999 CA THR A 70 19.282 -4.307 11.585 1.00 0.00 C ATOM 1000 C THR A 70 18.457 -5.415 12.227 1.00 0.00 C ATOM 1001 O THR A 70 17.510 -5.148 12.969 1.00 0.00 O ATOM 1002 CB THR A 70 20.560 -4.086 12.416 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.405 -5.240 12.331 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.218 -3.808 13.872 1.00 0.00 C ATOM 0 H THR A 70 17.981 -2.826 12.301 1.00 0.00 H new ATOM 0 HA THR A 70 19.561 -4.606 10.575 1.00 0.00 H new ATOM 0 HB THR A 70 21.085 -3.221 12.011 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.573 -5.454 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.136 -3.655 14.439 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.599 -2.913 13.936 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.673 -4.656 14.286 1.00 0.00 H new ATOM 1012 N LEU A 71 18.821 -6.660 11.940 1.00 0.00 N ATOM 1013 CA LEU A 71 18.114 -7.811 12.491 1.00 0.00 C ATOM 1014 C LEU A 71 18.888 -8.419 13.656 1.00 0.00 C ATOM 1015 O LEU A 71 20.119 -8.409 13.668 1.00 0.00 O ATOM 1016 CB LEU A 71 17.892 -8.866 11.406 1.00 0.00 C ATOM 1017 CG LEU A 71 16.536 -8.828 10.701 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.435 -9.305 11.636 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.237 -7.425 10.194 1.00 0.00 C ATOM 0 H LEU A 71 19.602 -6.898 11.329 1.00 0.00 H new ATOM 0 HA LEU A 71 17.147 -7.469 12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.673 -8.755 10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.019 -9.852 11.854 1.00 0.00 H new ATOM 0 HG LEU A 71 16.574 -9.501 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.477 -9.271 11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.642 -10.328 11.950 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.396 -8.658 12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.268 -7.417 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.218 -6.731 11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.010 -7.120 9.489 1.00 0.00 H new ATOM 1031 N GLU A 72 18.158 -8.948 14.633 1.00 0.00 N ATOM 1032 CA GLU A 72 18.777 -9.562 15.802 1.00 0.00 C ATOM 1033 C GLU A 72 17.951 -10.745 16.298 1.00 0.00 C ATOM 1034 O GLU A 72 16.754 -10.855 16.028 1.00 0.00 O ATOM 1035 CB GLU A 72 18.937 -8.532 16.922 1.00 0.00 C ATOM 1036 CG GLU A 72 20.231 -7.740 16.841 1.00 0.00 C ATOM 1037 CD GLU A 72 21.461 -8.628 16.867 1.00 0.00 C ATOM 1038 OE1 GLU A 72 21.956 -8.922 17.975 1.00 0.00 O ATOM 1039 OE2 GLU A 72 21.928 -9.027 15.780 1.00 0.00 O ATOM 0 H GLU A 72 17.138 -8.964 14.638 1.00 0.00 H new ATOM 0 HA GLU A 72 19.762 -9.927 15.510 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.095 -7.840 16.891 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.894 -9.044 17.883 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.234 -7.148 15.926 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.276 -7.039 17.674 1.00 0.00 H new ATOM 1046 N PRO A 73 18.602 -11.653 17.040 1.00 0.00 N ATOM 1047 CA PRO A 73 17.948 -12.844 17.589 1.00 0.00 C ATOM 1048 C PRO A 73 16.959 -12.502 18.699 1.00 0.00 C ATOM 1049 O PRO A 73 17.324 -11.887 19.700 1.00 0.00 O ATOM 1050 CB PRO A 73 19.114 -13.664 18.145 1.00 0.00 C ATOM 1051 CG PRO A 73 20.176 -12.662 18.439 1.00 0.00 C ATOM 1052 CD PRO A 73 20.029 -11.586 17.400 1.00 0.00 C ATOM 0 HA PRO A 73 17.360 -13.370 16.837 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.823 -14.207 19.044 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.457 -14.404 17.422 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.060 -12.254 19.443 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.165 -13.117 18.392 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.298 -10.606 17.795 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.670 -11.769 16.538 1.00 0.00 H new ATOM 1060 N ALA A 74 15.707 -12.906 18.514 1.00 0.00 N ATOM 1061 CA ALA A 74 14.667 -12.644 19.501 1.00 0.00 C ATOM 1062 C ALA A 74 14.351 -13.897 20.311 1.00 0.00 C ATOM 1063 O ALA A 74 14.648 -15.021 19.903 1.00 0.00 O ATOM 1064 CB ALA A 74 13.410 -12.124 18.819 1.00 0.00 C ATOM 0 H ALA A 74 15.388 -13.416 17.690 1.00 0.00 H new ATOM 0 HA ALA A 74 15.036 -11.882 20.187 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.642 -11.933 19.568 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.639 -11.199 18.290 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.047 -12.867 18.109 1.00 0.00 H new ATOM 1070 N PRO A 75 13.735 -13.704 21.486 1.00 0.00 N ATOM 1071 CA PRO A 75 13.366 -14.807 22.378 1.00 0.00 C ATOM 1072 C PRO A 75 12.232 -15.655 21.812 1.00 0.00 C ATOM 1073 O PRO A 75 11.556 -15.253 20.866 1.00 0.00 O ATOM 1074 CB PRO A 75 12.915 -14.095 23.656 1.00 0.00 C ATOM 1075 CG PRO A 75 12.470 -12.747 23.202 1.00 0.00 C ATOM 1076 CD PRO A 75 13.351 -12.392 22.035 1.00 0.00 C ATOM 0 HA PRO A 75 14.192 -15.502 22.530 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.105 -14.635 24.145 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.730 -14.021 24.377 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.420 -12.761 22.909 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.568 -12.014 24.002 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.820 -11.788 21.299 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.222 -11.817 22.349 1.00 0.00 H new ATOM 1084 N ALA A 76 12.028 -16.830 22.398 1.00 0.00 N ATOM 1085 CA ALA A 76 10.974 -17.734 21.954 1.00 0.00 C ATOM 1086 C ALA A 76 9.689 -17.509 22.743 1.00 0.00 C ATOM 1087 O ALA A 76 9.694 -16.937 23.834 1.00 0.00 O ATOM 1088 CB ALA A 76 11.429 -19.180 22.083 1.00 0.00 C ATOM 0 H ALA A 76 12.579 -17.179 23.182 1.00 0.00 H new ATOM 0 HA ALA A 76 10.767 -17.523 20.905 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.632 -19.844 21.748 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.315 -19.339 21.469 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.666 -19.395 23.125 1.00 0.00 H new ATOM 1094 N PRO A 77 8.561 -17.967 22.181 1.00 0.00 N ATOM 1095 CA PRO A 77 7.247 -17.826 22.816 1.00 0.00 C ATOM 1096 C PRO A 77 7.104 -18.705 24.053 1.00 0.00 C ATOM 1097 O PRO A 77 7.923 -19.591 24.297 1.00 0.00 O ATOM 1098 CB PRO A 77 6.275 -18.278 21.723 1.00 0.00 C ATOM 1099 CG PRO A 77 7.075 -19.191 20.859 1.00 0.00 C ATOM 1100 CD PRO A 77 8.481 -18.658 20.883 1.00 0.00 C ATOM 0 HA PRO A 77 7.071 -16.810 23.168 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.412 -18.790 22.148 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.894 -17.429 21.156 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.039 -20.214 21.234 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.682 -19.210 19.842 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.216 -19.459 20.808 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.667 -17.977 20.053 1.00 0.00 H new ATOM 1108 N LYS A 78 6.057 -18.456 24.833 1.00 0.00 N ATOM 1109 CA LYS A 78 5.805 -19.226 26.045 1.00 0.00 C ATOM 1110 C LYS A 78 5.025 -20.498 25.729 1.00 0.00 C ATOM 1111 O LYS A 78 4.645 -21.243 26.631 1.00 0.00 O ATOM 1112 CB LYS A 78 5.032 -18.380 27.060 1.00 0.00 C ATOM 1113 CG LYS A 78 3.689 -17.890 26.546 1.00 0.00 C ATOM 1114 CD LYS A 78 3.646 -16.374 26.455 1.00 0.00 C ATOM 1115 CE LYS A 78 2.890 -15.910 25.219 1.00 0.00 C ATOM 1116 NZ LYS A 78 3.283 -14.533 24.813 1.00 0.00 N ATOM 0 H LYS A 78 5.369 -17.726 24.647 1.00 0.00 H new ATOM 0 HA LYS A 78 6.767 -19.507 26.473 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.873 -18.968 27.964 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.640 -17.520 27.341 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.496 -18.320 25.563 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.896 -18.238 27.208 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.170 -15.968 27.348 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.662 -15.981 26.430 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.081 -16.599 24.397 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.818 -15.938 25.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.746 -14.254 23.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.078 -13.871 25.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.301 -14.511 24.599 1.00 0.00 H new ATOM 1130 N GLU A 79 4.791 -20.740 24.443 1.00 0.00 N ATOM 1131 CA GLU A 79 4.057 -21.923 24.010 1.00 0.00 C ATOM 1132 C GLU A 79 4.621 -22.462 22.698 1.00 0.00 C ATOM 1133 O GLU A 79 4.395 -21.890 21.631 1.00 0.00 O ATOM 1134 CB GLU A 79 2.572 -21.596 23.843 1.00 0.00 C ATOM 1135 CG GLU A 79 1.662 -22.802 24.002 1.00 0.00 C ATOM 1136 CD GLU A 79 0.214 -22.414 24.236 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -0.442 -21.967 23.272 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -0.261 -22.558 25.381 1.00 0.00 O ATOM 0 H GLU A 79 5.099 -20.133 23.683 1.00 0.00 H new ATOM 0 HA GLU A 79 4.169 -22.690 24.777 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.290 -20.840 24.576 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.413 -21.159 22.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.728 -23.423 23.108 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.011 -23.408 24.838 1.00 0.00 H new ATOM 1145 N ASP A 80 5.354 -23.566 22.786 1.00 0.00 N ATOM 1146 CA ASP A 80 5.950 -24.184 21.607 1.00 0.00 C ATOM 1147 C ASP A 80 5.934 -25.705 21.725 1.00 0.00 C ATOM 1148 O ASP A 80 6.147 -26.257 22.804 1.00 0.00 O ATOM 1149 CB ASP A 80 7.385 -23.690 21.416 1.00 0.00 C ATOM 1150 CG ASP A 80 8.279 -24.041 22.589 1.00 0.00 C ATOM 1151 OD1 ASP A 80 8.194 -23.351 23.627 1.00 0.00 O ATOM 1152 OD2 ASP A 80 9.065 -25.004 22.469 1.00 0.00 O ATOM 0 H ASP A 80 5.550 -24.052 23.661 1.00 0.00 H new ATOM 0 HA ASP A 80 5.357 -23.898 20.738 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.798 -24.125 20.506 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.379 -22.609 21.279 1.00 0.00 H new ATOM 1157 N ALA A 81 5.680 -26.377 20.607 1.00 0.00 N ATOM 1158 CA ALA A 81 5.637 -27.834 20.584 1.00 0.00 C ATOM 1159 C ALA A 81 6.982 -28.429 20.987 1.00 0.00 C ATOM 1160 O ALA A 81 7.936 -27.702 21.267 1.00 0.00 O ATOM 1161 CB ALA A 81 5.231 -28.329 19.204 1.00 0.00 C ATOM 0 H ALA A 81 5.501 -25.936 19.705 1.00 0.00 H new ATOM 0 HA ALA A 81 4.892 -28.162 21.309 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.203 -29.419 19.202 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.244 -27.940 18.954 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.955 -27.983 18.466 1.00 0.00 H new ATOM 1167 N LEU A 82 7.053 -29.755 21.014 1.00 0.00 N ATOM 1168 CA LEU A 82 8.282 -30.449 21.383 1.00 0.00 C ATOM 1169 C LEU A 82 9.392 -30.161 20.378 1.00 0.00 C ATOM 1170 O LEU A 82 9.395 -30.695 19.268 1.00 0.00 O ATOM 1171 CB LEU A 82 8.034 -31.956 21.469 1.00 0.00 C ATOM 1172 CG LEU A 82 9.213 -32.804 21.950 1.00 0.00 C ATOM 1173 CD1 LEU A 82 9.502 -32.531 23.418 1.00 0.00 C ATOM 1174 CD2 LEU A 82 8.933 -34.282 21.724 1.00 0.00 C ATOM 0 H LEU A 82 6.274 -30.372 20.785 1.00 0.00 H new ATOM 0 HA LEU A 82 8.598 -30.083 22.360 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.192 -32.128 22.139 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.735 -32.312 20.483 1.00 0.00 H new ATOM 0 HG LEU A 82 10.095 -32.530 21.371 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.344 -33.143 23.743 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.747 -31.477 23.551 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.623 -32.777 24.014 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.782 -34.870 22.072 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.040 -34.572 22.277 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.776 -34.464 20.661 1.00 0.00 H new ATOM 1186 N THR A 83 10.338 -29.314 20.774 1.00 0.00 N ATOM 1187 CA THR A 83 11.454 -28.956 19.909 1.00 0.00 C ATOM 1188 C THR A 83 12.786 -29.129 20.630 1.00 0.00 C ATOM 1189 O THR A 83 12.829 -29.261 21.853 1.00 0.00 O ATOM 1190 CB THR A 83 11.337 -27.503 19.413 1.00 0.00 C ATOM 1191 OG1 THR A 83 12.358 -27.231 18.446 1.00 0.00 O ATOM 1192 CG2 THR A 83 11.456 -26.524 20.571 1.00 0.00 C ATOM 0 H THR A 83 10.353 -28.864 21.689 1.00 0.00 H new ATOM 0 HA THR A 83 11.418 -29.629 19.052 1.00 0.00 H new ATOM 0 HB THR A 83 10.357 -27.379 18.952 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.275 -26.306 18.135 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.370 -25.504 20.196 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.660 -26.714 21.291 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.423 -26.651 21.057 1.00 0.00 H new ATOM 1200 N VAL A 84 13.873 -29.127 19.865 1.00 0.00 N ATOM 1201 CA VAL A 84 15.207 -29.281 20.432 1.00 0.00 C ATOM 1202 C VAL A 84 15.603 -28.056 21.247 1.00 0.00 C ATOM 1203 O VAL A 84 15.523 -26.925 20.768 1.00 0.00 O ATOM 1204 CB VAL A 84 16.261 -29.515 19.332 1.00 0.00 C ATOM 1205 CG1 VAL A 84 17.611 -29.847 19.948 1.00 0.00 C ATOM 1206 CG2 VAL A 84 15.809 -30.620 18.389 1.00 0.00 C ATOM 0 H VAL A 84 13.856 -29.020 18.851 1.00 0.00 H new ATOM 0 HA VAL A 84 15.174 -30.153 21.085 1.00 0.00 H new ATOM 0 HB VAL A 84 16.369 -28.597 18.754 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.342 -30.009 19.156 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.936 -29.020 20.579 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.523 -30.751 20.551 1.00 0.00 H new ATOM 0 HG21 VAL A 84 16.565 -30.772 17.618 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.672 -31.544 18.951 1.00 0.00 H new ATOM 0 HG23 VAL A 84 14.866 -30.336 17.921 1.00 0.00 H new ATOM 1216 N VAL A 85 16.032 -28.288 22.484 1.00 0.00 N ATOM 1217 CA VAL A 85 16.443 -27.203 23.367 1.00 0.00 C ATOM 1218 C VAL A 85 17.941 -27.258 23.646 1.00 0.00 C ATOM 1219 O VAL A 85 18.365 -27.376 24.794 1.00 0.00 O ATOM 1220 CB VAL A 85 15.681 -27.249 24.705 1.00 0.00 C ATOM 1221 CG1 VAL A 85 14.233 -26.824 24.510 1.00 0.00 C ATOM 1222 CG2 VAL A 85 15.759 -28.640 25.314 1.00 0.00 C ATOM 0 H VAL A 85 16.104 -29.218 22.897 1.00 0.00 H new ATOM 0 HA VAL A 85 16.206 -26.271 22.854 1.00 0.00 H new ATOM 0 HB VAL A 85 16.151 -26.548 25.395 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.711 -26.863 25.466 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.202 -25.806 24.120 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.748 -27.498 23.804 1.00 0.00 H new ATOM 0 HG21 VAL A 85 15.215 -28.655 26.259 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.315 -29.363 24.629 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.802 -28.901 25.492 1.00 0.00 H new ATOM 1232 N GLY A 86 18.738 -27.172 22.585 1.00 0.00 N ATOM 1233 CA GLY A 86 20.181 -27.213 22.737 1.00 0.00 C ATOM 1234 C GLY A 86 20.705 -26.087 23.606 1.00 0.00 C ATOM 1235 O GLY A 86 19.965 -25.169 23.958 1.00 0.00 O ATOM 0 H GLY A 86 18.411 -27.075 21.624 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.470 -28.169 23.173 1.00 0.00 H new ATOM 0 HA3 GLY A 86 20.648 -27.157 21.754 1.00 0.00 H new ATOM 1239 N ASP A 87 21.985 -26.158 23.954 1.00 0.00 N ATOM 1240 CA ASP A 87 22.609 -25.136 24.787 1.00 0.00 C ATOM 1241 C ASP A 87 23.816 -24.524 24.085 1.00 0.00 C ATOM 1242 O ASP A 87 24.388 -25.124 23.175 1.00 0.00 O ATOM 1243 CB ASP A 87 23.032 -25.733 26.131 1.00 0.00 C ATOM 1244 CG ASP A 87 23.531 -24.679 27.100 1.00 0.00 C ATOM 1245 OD1 ASP A 87 22.697 -23.909 27.621 1.00 0.00 O ATOM 1246 OD2 ASP A 87 24.755 -24.626 27.339 1.00 0.00 O ATOM 0 H ASP A 87 22.611 -26.912 23.672 1.00 0.00 H new ATOM 0 HA ASP A 87 21.877 -24.348 24.962 1.00 0.00 H new ATOM 0 HB2 ASP A 87 22.186 -26.259 26.574 1.00 0.00 H new ATOM 0 HB3 ASP A 87 23.816 -26.472 25.967 1.00 0.00 H new ATOM 1251 N TRP A 88 24.198 -23.326 24.513 1.00 0.00 N ATOM 1252 CA TRP A 88 25.338 -22.632 23.924 1.00 0.00 C ATOM 1253 C TRP A 88 26.168 -21.940 24.999 1.00 0.00 C ATOM 1254 O TRP A 88 25.720 -21.776 26.134 1.00 0.00 O ATOM 1255 CB TRP A 88 24.860 -21.608 22.893 1.00 0.00 C ATOM 1256 CG TRP A 88 25.907 -21.250 21.882 1.00 0.00 C ATOM 1257 CD1 TRP A 88 26.548 -20.051 21.755 1.00 0.00 C ATOM 1258 CD2 TRP A 88 26.432 -22.099 20.855 1.00 0.00 C ATOM 1259 NE1 TRP A 88 27.440 -20.103 20.711 1.00 0.00 N ATOM 1260 CE2 TRP A 88 27.388 -21.349 20.143 1.00 0.00 C ATOM 1261 CE3 TRP A 88 26.189 -23.420 20.469 1.00 0.00 C ATOM 1262 CZ2 TRP A 88 28.098 -21.877 19.069 1.00 0.00 C ATOM 1263 CZ3 TRP A 88 26.894 -23.942 19.402 1.00 0.00 C ATOM 1264 CH2 TRP A 88 27.840 -23.173 18.712 1.00 0.00 C ATOM 0 H TRP A 88 23.736 -22.815 25.265 1.00 0.00 H new ATOM 0 HA TRP A 88 25.966 -23.372 23.427 1.00 0.00 H new ATOM 0 HB2 TRP A 88 23.986 -22.004 22.376 1.00 0.00 H new ATOM 0 HB3 TRP A 88 24.541 -20.704 23.411 1.00 0.00 H new ATOM 0 HD1 TRP A 88 26.379 -19.189 22.383 1.00 0.00 H new ATOM 0 HE1 TRP A 88 28.043 -19.338 20.408 1.00 0.00 H new ATOM 0 HE3 TRP A 88 25.463 -24.022 20.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 28.827 -21.285 18.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 26.713 -24.961 19.094 1.00 0.00 H new ATOM 0 HH2 TRP A 88 28.376 -23.611 17.883 1.00 0.00 H new ATOM 1275 N LEU A 89 27.380 -21.536 24.635 1.00 0.00 N ATOM 1276 CA LEU A 89 28.274 -20.860 25.569 1.00 0.00 C ATOM 1277 C LEU A 89 28.350 -19.367 25.267 1.00 0.00 C ATOM 1278 O LEU A 89 28.279 -18.536 26.172 1.00 0.00 O ATOM 1279 CB LEU A 89 29.673 -21.477 25.505 1.00 0.00 C ATOM 1280 CG LEU A 89 29.907 -22.701 26.390 1.00 0.00 C ATOM 1281 CD1 LEU A 89 29.905 -22.307 27.859 1.00 0.00 C ATOM 1282 CD2 LEU A 89 28.853 -23.765 26.120 1.00 0.00 C ATOM 0 H LEU A 89 27.766 -21.665 23.700 1.00 0.00 H new ATOM 0 HA LEU A 89 27.873 -20.988 26.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 29.878 -21.756 24.472 1.00 0.00 H new ATOM 0 HB3 LEU A 89 30.399 -20.711 25.779 1.00 0.00 H new ATOM 0 HG LEU A 89 30.885 -23.117 26.148 1.00 0.00 H new ATOM 0 HD11 LEU A 89 30.073 -23.192 28.473 1.00 0.00 H new ATOM 0 HD12 LEU A 89 30.698 -21.582 28.042 1.00 0.00 H new ATOM 0 HD13 LEU A 89 28.942 -21.865 28.116 1.00 0.00 H new ATOM 0 HD21 LEU A 89 29.036 -24.629 26.759 1.00 0.00 H new ATOM 0 HD22 LEU A 89 27.864 -23.359 26.332 1.00 0.00 H new ATOM 0 HD23 LEU A 89 28.903 -24.070 25.075 1.00 0.00 H new ATOM 1294 N GLY A 90 28.494 -19.033 23.988 1.00 0.00 N ATOM 1295 CA GLY A 90 28.575 -17.641 23.589 1.00 0.00 C ATOM 1296 C GLY A 90 29.896 -17.004 23.972 1.00 0.00 C ATOM 1297 O GLY A 90 30.439 -17.280 25.042 1.00 0.00 O ATOM 0 H GLY A 90 28.556 -19.703 23.221 1.00 0.00 H new ATOM 0 HA2 GLY A 90 28.439 -17.567 22.510 1.00 0.00 H new ATOM 0 HA3 GLY A 90 27.759 -17.085 24.052 1.00 0.00 H new ATOM 1301 N ASP A 91 30.416 -16.151 23.096 1.00 0.00 N ATOM 1302 CA ASP A 91 31.683 -15.474 23.347 1.00 0.00 C ATOM 1303 C ASP A 91 31.463 -13.986 23.597 1.00 0.00 C ATOM 1304 O ASP A 91 31.782 -13.150 22.752 1.00 0.00 O ATOM 1305 CB ASP A 91 32.633 -15.670 22.165 1.00 0.00 C ATOM 1306 CG ASP A 91 34.062 -15.292 22.502 1.00 0.00 C ATOM 1307 OD1 ASP A 91 34.554 -15.721 23.567 1.00 0.00 O ATOM 1308 OD2 ASP A 91 34.689 -14.569 21.701 1.00 0.00 O ATOM 0 H ASP A 91 29.979 -15.912 22.206 1.00 0.00 H new ATOM 0 HA ASP A 91 32.130 -15.912 24.239 1.00 0.00 H new ATOM 0 HB2 ASP A 91 32.601 -16.712 21.846 1.00 0.00 H new ATOM 0 HB3 ASP A 91 32.290 -15.068 21.323 1.00 0.00 H new ATOM 1313 N ALA A 92 30.914 -13.662 24.764 1.00 0.00 N ATOM 1314 CA ALA A 92 30.652 -12.274 25.126 1.00 0.00 C ATOM 1315 C ALA A 92 31.165 -11.967 26.529 1.00 0.00 C ATOM 1316 O ALA A 92 30.515 -12.295 27.523 1.00 0.00 O ATOM 1317 CB ALA A 92 29.164 -11.975 25.029 1.00 0.00 C ATOM 0 H ALA A 92 30.642 -14.342 25.474 1.00 0.00 H new ATOM 0 HA ALA A 92 31.186 -11.634 24.424 1.00 0.00 H new ATOM 0 HB1 ALA A 92 28.983 -10.935 25.302 1.00 0.00 H new ATOM 0 HB2 ALA A 92 28.824 -12.146 24.008 1.00 0.00 H new ATOM 0 HB3 ALA A 92 28.616 -12.629 25.708 1.00 0.00 H new ATOM 1323 N ARG A 93 32.333 -11.338 26.603 1.00 0.00 N ATOM 1324 CA ARG A 93 32.933 -10.989 27.885 1.00 0.00 C ATOM 1325 C ARG A 93 32.402 -9.650 28.388 1.00 0.00 C ATOM 1326 O ARG A 93 32.499 -8.635 27.698 1.00 0.00 O ATOM 1327 CB ARG A 93 34.457 -10.931 27.760 1.00 0.00 C ATOM 1328 CG ARG A 93 35.057 -12.138 27.058 1.00 0.00 C ATOM 1329 CD ARG A 93 36.576 -12.073 27.038 1.00 0.00 C ATOM 1330 NE ARG A 93 37.146 -12.196 28.377 1.00 0.00 N ATOM 1331 CZ ARG A 93 38.435 -12.419 28.609 1.00 0.00 C ATOM 1332 NH1 ARG A 93 39.283 -12.543 27.597 1.00 0.00 N ATOM 1333 NH2 ARG A 93 38.878 -12.519 29.856 1.00 0.00 N ATOM 0 H ARG A 93 32.883 -11.060 25.790 1.00 0.00 H new ATOM 0 HA ARG A 93 32.663 -11.761 28.606 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.734 -10.029 27.214 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.892 -10.847 28.756 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.737 -13.050 27.563 1.00 0.00 H new ATOM 0 HG3 ARG A 93 34.681 -12.190 26.036 1.00 0.00 H new ATOM 0 HD2 ARG A 93 36.965 -12.870 26.404 1.00 0.00 H new ATOM 0 HD3 ARG A 93 36.893 -11.129 26.594 1.00 0.00 H new ATOM 0 HE ARG A 93 36.520 -12.106 29.178 1.00 0.00 H new ATOM 0 HH11 ARG A 93 38.946 -12.467 26.637 1.00 0.00 H new ATOM 0 HH12 ARG A 93 40.272 -12.714 27.778 1.00 0.00 H new ATOM 0 HH21 ARG A 93 38.229 -12.425 30.637 1.00 0.00 H new ATOM 0 HH22 ARG A 93 39.868 -12.690 30.033 1.00 0.00 H new ATOM 1347 N GLU A 94 31.841 -9.656 29.593 1.00 0.00 N ATOM 1348 CA GLU A 94 31.293 -8.442 30.186 1.00 0.00 C ATOM 1349 C GLU A 94 32.406 -7.558 30.741 1.00 0.00 C ATOM 1350 O GLU A 94 32.530 -7.386 31.953 1.00 0.00 O ATOM 1351 CB GLU A 94 30.303 -8.793 31.298 1.00 0.00 C ATOM 1352 CG GLU A 94 29.372 -7.650 31.668 1.00 0.00 C ATOM 1353 CD GLU A 94 28.644 -7.078 30.466 1.00 0.00 C ATOM 1354 OE1 GLU A 94 27.950 -7.849 29.771 1.00 0.00 O ATOM 1355 OE2 GLU A 94 28.768 -5.860 30.222 1.00 0.00 O ATOM 0 H GLU A 94 31.754 -10.488 30.177 1.00 0.00 H new ATOM 0 HA GLU A 94 30.770 -7.891 29.405 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.706 -9.649 30.984 1.00 0.00 H new ATOM 0 HB3 GLU A 94 30.859 -9.099 32.184 1.00 0.00 H new ATOM 0 HG2 GLU A 94 28.642 -8.002 32.397 1.00 0.00 H new ATOM 0 HG3 GLU A 94 29.947 -6.859 32.150 1.00 0.00 H new ATOM 1362 N ASN A 95 33.214 -7.000 29.845 1.00 0.00 N ATOM 1363 CA ASN A 95 34.318 -6.135 30.245 1.00 0.00 C ATOM 1364 C ASN A 95 33.913 -4.666 30.169 1.00 0.00 C ATOM 1365 O ASN A 95 34.066 -4.023 29.130 1.00 0.00 O ATOM 1366 CB ASN A 95 35.538 -6.386 29.357 1.00 0.00 C ATOM 1367 CG ASN A 95 36.806 -5.785 29.931 1.00 0.00 C ATOM 1368 OD1 ASN A 95 37.406 -4.889 29.337 1.00 0.00 O ATOM 1369 ND2 ASN A 95 37.219 -6.276 31.094 1.00 0.00 N ATOM 0 H ASN A 95 33.125 -7.131 28.837 1.00 0.00 H new ATOM 0 HA ASN A 95 34.575 -6.370 31.278 1.00 0.00 H new ATOM 0 HB2 ASN A 95 35.675 -7.460 29.228 1.00 0.00 H new ATOM 0 HB3 ASN A 95 35.356 -5.966 28.368 1.00 0.00 H new ATOM 0 HD21 ASN A 95 38.065 -5.910 31.530 1.00 0.00 H new ATOM 0 HD22 ASN A 95 36.690 -7.019 31.551 1.00 0.00 H new ATOM 1376 N ASP A 96 33.396 -4.142 31.275 1.00 0.00 N ATOM 1377 CA ASP A 96 32.971 -2.749 31.334 1.00 0.00 C ATOM 1378 C ASP A 96 34.168 -1.823 31.522 1.00 0.00 C ATOM 1379 O ASP A 96 34.753 -1.757 32.604 1.00 0.00 O ATOM 1380 CB ASP A 96 31.971 -2.547 32.474 1.00 0.00 C ATOM 1381 CG ASP A 96 31.816 -1.088 32.857 1.00 0.00 C ATOM 1382 OD1 ASP A 96 31.777 -0.237 31.944 1.00 0.00 O ATOM 1383 OD2 ASP A 96 31.735 -0.798 34.069 1.00 0.00 O ATOM 0 H ASP A 96 33.261 -4.661 32.143 1.00 0.00 H new ATOM 0 HA ASP A 96 32.488 -2.502 30.389 1.00 0.00 H new ATOM 0 HB2 ASP A 96 31.001 -2.947 32.178 1.00 0.00 H new ATOM 0 HB3 ASP A 96 32.298 -3.115 33.345 1.00 0.00 H new ATOM 1388 N LEU A 97 34.529 -1.109 30.461 1.00 0.00 N ATOM 1389 CA LEU A 97 35.658 -0.186 30.507 1.00 0.00 C ATOM 1390 C LEU A 97 35.654 0.741 29.296 1.00 0.00 C ATOM 1391 O LEU A 97 35.308 0.330 28.189 1.00 0.00 O ATOM 1392 CB LEU A 97 36.974 -0.963 30.565 1.00 0.00 C ATOM 1393 CG LEU A 97 38.227 -0.139 30.868 1.00 0.00 C ATOM 1394 CD1 LEU A 97 39.265 -0.990 31.582 1.00 0.00 C ATOM 1395 CD2 LEU A 97 38.803 0.446 29.587 1.00 0.00 C ATOM 0 H LEU A 97 34.056 -1.152 29.558 1.00 0.00 H new ATOM 0 HA LEU A 97 35.562 0.422 31.406 1.00 0.00 H new ATOM 0 HB2 LEU A 97 36.881 -1.739 31.325 1.00 0.00 H new ATOM 0 HB3 LEU A 97 37.117 -1.468 29.609 1.00 0.00 H new ATOM 0 HG LEU A 97 37.948 0.684 31.526 1.00 0.00 H new ATOM 0 HD11 LEU A 97 40.149 -0.387 31.789 1.00 0.00 H new ATOM 0 HD12 LEU A 97 38.850 -1.360 32.520 1.00 0.00 H new ATOM 0 HD13 LEU A 97 39.541 -1.834 30.950 1.00 0.00 H new ATOM 0 HD21 LEU A 97 39.694 1.029 29.822 1.00 0.00 H new ATOM 0 HD22 LEU A 97 39.067 -0.362 28.905 1.00 0.00 H new ATOM 0 HD23 LEU A 97 38.061 1.091 29.116 1.00 0.00 H new ATOM 1407 N GLU A 98 36.041 1.994 29.515 1.00 0.00 N ATOM 1408 CA GLU A 98 36.083 2.979 28.440 1.00 0.00 C ATOM 1409 C GLU A 98 37.343 3.835 28.536 1.00 0.00 C ATOM 1410 O GLU A 98 37.720 4.286 29.617 1.00 0.00 O ATOM 1411 CB GLU A 98 34.842 3.872 28.488 1.00 0.00 C ATOM 1412 CG GLU A 98 33.536 3.096 28.551 1.00 0.00 C ATOM 1413 CD GLU A 98 32.324 3.973 28.303 1.00 0.00 C ATOM 1414 OE1 GLU A 98 32.061 4.300 27.127 1.00 0.00 O ATOM 1415 OE2 GLU A 98 31.640 4.332 29.284 1.00 0.00 O ATOM 0 H GLU A 98 36.330 2.351 30.426 1.00 0.00 H new ATOM 0 HA GLU A 98 36.100 2.443 27.491 1.00 0.00 H new ATOM 0 HB2 GLU A 98 34.909 4.526 29.357 1.00 0.00 H new ATOM 0 HB3 GLU A 98 34.832 4.513 27.607 1.00 0.00 H new ATOM 0 HG2 GLU A 98 33.558 2.295 27.812 1.00 0.00 H new ATOM 0 HG3 GLU A 98 33.445 2.625 29.530 1.00 0.00 H new ATOM 1422 N HIS A 99 37.990 4.053 27.395 1.00 0.00 N ATOM 1423 CA HIS A 99 39.208 4.855 27.349 1.00 0.00 C ATOM 1424 C HIS A 99 39.574 5.205 25.910 1.00 0.00 C ATOM 1425 O HIS A 99 39.877 4.324 25.105 1.00 0.00 O ATOM 1426 CB HIS A 99 40.363 4.106 28.014 1.00 0.00 C ATOM 1427 CG HIS A 99 41.382 5.009 28.638 1.00 0.00 C ATOM 1428 ND1 HIS A 99 42.709 5.018 28.263 1.00 0.00 N ATOM 1429 CD2 HIS A 99 41.262 5.937 29.616 1.00 0.00 C ATOM 1430 CE1 HIS A 99 43.362 5.912 28.985 1.00 0.00 C ATOM 1431 NE2 HIS A 99 42.506 6.484 29.813 1.00 0.00 N ATOM 0 H HIS A 99 37.692 3.686 26.491 1.00 0.00 H new ATOM 0 HA HIS A 99 39.024 5.781 27.894 1.00 0.00 H new ATOM 0 HB2 HIS A 99 39.962 3.441 28.779 1.00 0.00 H new ATOM 0 HB3 HIS A 99 40.853 3.477 27.271 1.00 0.00 H new ATOM 0 HD2 HIS A 99 40.356 6.199 30.143 1.00 0.00 H new ATOM 0 HE1 HIS A 99 44.416 6.137 28.911 1.00 0.00 H new ATOM 0 HE2 HIS A 99 42.732 7.214 30.489 1.00 0.00 H new ATOM 1439 N HIS A 100 39.544 6.495 25.593 1.00 0.00 N ATOM 1440 CA HIS A 100 39.872 6.961 24.250 1.00 0.00 C ATOM 1441 C HIS A 100 40.614 8.293 24.304 1.00 0.00 C ATOM 1442 O HIS A 100 40.164 9.240 24.949 1.00 0.00 O ATOM 1443 CB HIS A 100 38.602 7.105 23.412 1.00 0.00 C ATOM 1444 CG HIS A 100 37.497 7.829 24.118 1.00 0.00 C ATOM 1445 ND1 HIS A 100 37.229 9.167 23.922 1.00 0.00 N ATOM 1446 CD2 HIS A 100 36.589 7.394 25.023 1.00 0.00 C ATOM 1447 CE1 HIS A 100 36.205 9.524 24.676 1.00 0.00 C ATOM 1448 NE2 HIS A 100 35.798 8.466 25.354 1.00 0.00 N ATOM 0 H HIS A 100 39.296 7.237 26.248 1.00 0.00 H new ATOM 0 HA HIS A 100 40.523 6.221 23.784 1.00 0.00 H new ATOM 0 HB2 HIS A 100 38.843 7.636 22.491 1.00 0.00 H new ATOM 0 HB3 HIS A 100 38.251 6.113 23.126 1.00 0.00 H new ATOM 0 HD2 HIS A 100 36.503 6.390 25.412 1.00 0.00 H new ATOM 0 HE1 HIS A 100 35.774 10.513 24.729 1.00 0.00 H new ATOM 0 HE2 HIS A 100 35.022 8.448 26.016 1.00 0.00 H new ATOM 1456 N HIS A 101 41.754 8.358 23.623 1.00 0.00 N ATOM 1457 CA HIS A 101 42.559 9.574 23.593 1.00 0.00 C ATOM 1458 C HIS A 101 42.541 10.203 22.203 1.00 0.00 C ATOM 1459 O HIS A 101 42.625 9.505 21.193 1.00 0.00 O ATOM 1460 CB HIS A 101 43.998 9.268 24.009 1.00 0.00 C ATOM 1461 CG HIS A 101 44.725 8.382 23.044 1.00 0.00 C ATOM 1462 ND1 HIS A 101 44.780 7.011 23.177 1.00 0.00 N ATOM 1463 CD2 HIS A 101 45.428 8.679 21.926 1.00 0.00 C ATOM 1464 CE1 HIS A 101 45.487 6.503 22.183 1.00 0.00 C ATOM 1465 NE2 HIS A 101 45.891 7.494 21.410 1.00 0.00 N ATOM 0 H HIS A 101 42.141 7.583 23.085 1.00 0.00 H new ATOM 0 HA HIS A 101 42.128 10.284 24.299 1.00 0.00 H new ATOM 0 HB2 HIS A 101 44.545 10.205 24.112 1.00 0.00 H new ATOM 0 HB3 HIS A 101 43.991 8.794 24.990 1.00 0.00 H new ATOM 0 HD2 HIS A 101 45.594 9.664 21.516 1.00 0.00 H new ATOM 0 HE1 HIS A 101 45.698 5.455 22.029 1.00 0.00 H new ATOM 0 HE2 HIS A 101 46.456 7.395 20.566 1.00 0.00 H new ATOM 1473 N HIS A 102 42.429 11.527 22.160 1.00 0.00 N ATOM 1474 CA HIS A 102 42.399 12.251 20.894 1.00 0.00 C ATOM 1475 C HIS A 102 43.400 13.403 20.903 1.00 0.00 C ATOM 1476 O HIS A 102 43.214 14.395 21.608 1.00 0.00 O ATOM 1477 CB HIS A 102 40.993 12.784 20.620 1.00 0.00 C ATOM 1478 CG HIS A 102 40.683 12.936 19.163 1.00 0.00 C ATOM 1479 ND1 HIS A 102 41.125 14.000 18.406 1.00 0.00 N ATOM 1480 CD2 HIS A 102 39.971 12.148 18.322 1.00 0.00 C ATOM 1481 CE1 HIS A 102 40.698 13.862 17.163 1.00 0.00 C ATOM 1482 NE2 HIS A 102 39.995 12.746 17.086 1.00 0.00 N ATOM 0 H HIS A 102 42.358 12.120 22.987 1.00 0.00 H new ATOM 0 HA HIS A 102 42.677 11.557 20.101 1.00 0.00 H new ATOM 0 HB2 HIS A 102 40.264 12.110 21.070 1.00 0.00 H new ATOM 0 HB3 HIS A 102 40.878 13.751 21.110 1.00 0.00 H new ATOM 0 HD2 HIS A 102 39.477 11.222 18.576 1.00 0.00 H new ATOM 0 HE1 HIS A 102 40.891 14.545 16.349 1.00 0.00 H new ATOM 0 HE2 HIS A 102 39.543 12.387 16.245 1.00 0.00 H new ATOM 1490 N HIS A 103 44.462 13.263 20.116 1.00 0.00 N ATOM 1491 CA HIS A 103 45.493 14.292 20.034 1.00 0.00 C ATOM 1492 C HIS A 103 44.883 15.646 19.683 1.00 0.00 C ATOM 1493 O HIS A 103 44.143 15.771 18.707 1.00 0.00 O ATOM 1494 CB HIS A 103 46.544 13.908 18.992 1.00 0.00 C ATOM 1495 CG HIS A 103 47.772 14.765 19.036 1.00 0.00 C ATOM 1496 ND1 HIS A 103 48.682 14.724 20.072 1.00 0.00 N ATOM 1497 CD2 HIS A 103 48.240 15.688 18.164 1.00 0.00 C ATOM 1498 CE1 HIS A 103 49.654 15.585 19.835 1.00 0.00 C ATOM 1499 NE2 HIS A 103 49.410 16.184 18.683 1.00 0.00 N ATOM 0 H HIS A 103 44.631 12.448 19.526 1.00 0.00 H new ATOM 0 HA HIS A 103 45.971 14.371 21.010 1.00 0.00 H new ATOM 0 HB2 HIS A 103 46.831 12.868 19.144 1.00 0.00 H new ATOM 0 HB3 HIS A 103 46.100 13.974 17.999 1.00 0.00 H new ATOM 0 HD2 HIS A 103 47.778 15.980 17.232 1.00 0.00 H new ATOM 0 HE1 HIS A 103 50.505 15.769 20.475 1.00 0.00 H new ATOM 0 HE2 HIS A 103 49.995 16.898 18.250 1.00 0.00 H new ATOM 1507 N HIS A 104 45.196 16.657 20.487 1.00 0.00 N ATOM 1508 CA HIS A 104 44.678 18.002 20.262 1.00 0.00 C ATOM 1509 C HIS A 104 45.650 18.824 19.420 1.00 0.00 C ATOM 1510 O HIS A 104 46.806 19.015 19.799 1.00 0.00 O ATOM 1511 CB HIS A 104 44.422 18.702 21.596 1.00 0.00 C ATOM 1512 CG HIS A 104 43.079 18.395 22.185 1.00 0.00 C ATOM 1513 ND1 HIS A 104 42.430 17.195 21.993 1.00 0.00 N ATOM 1514 CD2 HIS A 104 42.265 19.141 22.968 1.00 0.00 C ATOM 1515 CE1 HIS A 104 41.273 17.215 22.630 1.00 0.00 C ATOM 1516 NE2 HIS A 104 41.149 18.385 23.230 1.00 0.00 N ATOM 0 H HIS A 104 45.806 16.571 21.300 1.00 0.00 H new ATOM 0 HA HIS A 104 43.737 17.917 19.719 1.00 0.00 H new ATOM 0 HB2 HIS A 104 45.196 18.409 22.305 1.00 0.00 H new ATOM 0 HB3 HIS A 104 44.510 19.779 21.455 1.00 0.00 H new ATOM 0 HD1 HIS A 104 42.787 16.413 21.444 1.00 0.00 H new ATOM 0 HD2 HIS A 104 42.457 20.143 23.321 1.00 0.00 H new ATOM 0 HE1 HIS A 104 40.552 16.412 22.656 1.00 0.00 H new TER 1524 HIS A 104