USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 815 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 77 LYS NZ :NH3+ -153:sc= 0.656 (180deg=0.359) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= -0.114 USER MOD Set 2.1: A 23 CYS SG : rot -42:sc= -1.77! USER MOD Set 2.2: A 97 CYS SG : rot -166:sc= -0.0672 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot -10:sc= 0.318 USER MOD Single : A 14 GLN : amide:sc= -0.98 K(o=-0.98,f=-2.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -90:sc= 1.25 USER MOD Single : A 26 SER OG : rot -116:sc= 0.355 USER MOD Single : A 29 THR OG1 : rot 102:sc= 0.701 USER MOD Single : A 32 SER OG : rot 53:sc= 0.527 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -168:sc= -0.029 (180deg=-0.212) USER MOD Single : A 40 GLN : amide:sc= 0.493 K(o=0.49,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 10:sc= 1.36 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= 0.863 (180deg=-0.0578) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.94!) USER MOD Single : A 78 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 83 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.1) USER MOD Single : A 84 MET CE :methyl -141:sc= -0.2 (180deg=-3.14!) USER MOD Single : A 85 ASN : amide:sc= -0.651 K(o=-0.65,f=-1.9!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= 0.522 (180deg=0.275) USER MOD Single : A 92 THR OG1 : rot 87:sc= 0.198 USER MOD Single : A 95 TYR OH : rot 28:sc= 0.283 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.0136 K(o=0.014,f=-2.4) USER MOD Single : A 117 THR OG1 : rot 110:sc= 0.0846 USER MOD Single : A 118 GLN : amide:sc= -1.55 K(o=-1.5,f=-0.079) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.946 3.282 -6.471 1.00 0.00 N ATOM 38 CA LEU A 3 1.715 4.064 -7.462 1.00 0.00 C ATOM 39 C LEU A 3 1.643 5.554 -7.144 1.00 0.00 C ATOM 40 O LEU A 3 0.565 6.156 -7.158 1.00 0.00 O ATOM 41 CB LEU A 3 1.254 3.792 -8.927 1.00 0.00 C ATOM 42 CG LEU A 3 1.849 2.527 -9.604 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.393 2.564 -9.539 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.258 1.225 -9.017 1.00 0.00 C ATOM 0 HA LEU A 3 2.752 3.735 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.167 3.707 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.510 4.660 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 3 1.563 2.532 -10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.799 1.672 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.758 3.451 -10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.713 2.595 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.702 0.365 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.476 1.175 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.178 1.215 -9.167 1.00 0.00 H new ATOM 56 N GLN A 4 2.812 6.119 -6.830 1.00 0.00 N ATOM 57 CA GLN A 4 3.014 7.556 -6.700 1.00 0.00 C ATOM 58 C GLN A 4 3.783 8.015 -7.936 1.00 0.00 C ATOM 59 O GLN A 4 4.910 7.587 -8.154 1.00 0.00 O ATOM 60 CB GLN A 4 3.825 7.881 -5.422 1.00 0.00 C ATOM 61 CG GLN A 4 3.246 7.287 -4.126 1.00 0.00 C ATOM 62 CD GLN A 4 4.117 7.591 -2.911 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.933 8.603 -2.230 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.087 6.734 -2.649 1.00 0.00 N ATOM 0 H GLN A 4 3.658 5.576 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 4 2.055 8.069 -6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.843 7.514 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.888 8.964 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.245 7.686 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.145 6.207 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.209 5.907 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.714 6.899 -1.861 1.00 0.00 H new ATOM 73 N LEU A 5 3.160 8.828 -8.773 1.00 0.00 N ATOM 74 CA LEU A 5 3.824 9.414 -9.936 1.00 0.00 C ATOM 75 C LEU A 5 4.110 10.886 -9.625 1.00 0.00 C ATOM 76 O LEU A 5 3.178 11.654 -9.341 1.00 0.00 O ATOM 77 CB LEU A 5 2.930 9.262 -11.191 1.00 0.00 C ATOM 78 CG LEU A 5 2.506 7.807 -11.552 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.445 7.817 -12.668 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.734 6.934 -11.922 1.00 0.00 C ATOM 0 H LEU A 5 2.183 9.102 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 5 4.763 8.901 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.028 9.857 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.459 9.688 -12.044 1.00 0.00 H new ATOM 0 HG LEU A 5 2.055 7.352 -10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.160 6.793 -12.908 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.567 8.368 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.856 8.297 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.402 5.925 -12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.244 7.369 -12.782 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.420 6.894 -11.076 1.00 0.00 H new ATOM 92 N VAL A 6 5.403 11.261 -9.614 1.00 0.00 N ATOM 93 CA VAL A 6 5.823 12.660 -9.481 1.00 0.00 C ATOM 94 C VAL A 6 6.565 13.071 -10.761 1.00 0.00 C ATOM 95 O VAL A 6 7.731 12.701 -10.966 1.00 0.00 O ATOM 96 CB VAL A 6 6.720 12.913 -8.207 1.00 0.00 C ATOM 97 CG1 VAL A 6 7.037 14.428 -8.050 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.063 12.336 -6.919 1.00 0.00 C ATOM 0 H VAL A 6 6.178 10.603 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 6 4.932 13.273 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 6 7.661 12.383 -8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.656 14.580 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.571 14.781 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.106 14.985 -7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.709 12.529 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.096 12.813 -6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.923 11.261 -7.032 1.00 0.00 H new ATOM 108 N GLU A 7 5.858 13.823 -11.617 1.00 0.00 N ATOM 109 CA GLU A 7 6.385 14.343 -12.878 1.00 0.00 C ATOM 110 C GLU A 7 7.129 15.652 -12.604 1.00 0.00 C ATOM 111 O GLU A 7 6.788 16.404 -11.678 1.00 0.00 O ATOM 112 CB GLU A 7 5.260 14.572 -13.940 1.00 0.00 C ATOM 113 CG GLU A 7 4.411 13.330 -14.307 1.00 0.00 C ATOM 114 CD GLU A 7 3.255 13.037 -13.330 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.492 12.441 -12.276 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.111 13.397 -13.622 1.00 0.00 O ATOM 0 H GLU A 7 4.888 14.089 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 7 7.067 13.601 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.591 15.349 -13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.720 14.955 -14.851 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.999 13.469 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.064 12.458 -14.350 1.00 0.00 H new ATOM 123 N SER A 8 8.137 15.914 -13.432 1.00 0.00 N ATOM 124 CA SER A 8 9.035 17.058 -13.285 1.00 0.00 C ATOM 125 C SER A 8 9.726 17.351 -14.626 1.00 0.00 C ATOM 126 O SER A 8 9.645 16.548 -15.564 1.00 0.00 O ATOM 127 CB SER A 8 10.059 16.766 -12.160 1.00 0.00 C ATOM 128 OG SER A 8 10.667 15.496 -12.337 1.00 0.00 O ATOM 0 H SER A 8 8.357 15.328 -14.237 1.00 0.00 H new ATOM 0 HA SER A 8 8.470 17.947 -13.004 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.825 17.541 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.560 16.801 -11.192 1.00 0.00 H new ATOM 0 HG SER A 8 10.194 15.002 -13.039 1.00 0.00 H new ATOM 134 N GLY A 9 10.386 18.515 -14.711 1.00 0.00 N ATOM 135 CA GLY A 9 11.093 18.940 -15.928 1.00 0.00 C ATOM 136 C GLY A 9 10.276 19.894 -16.786 1.00 0.00 C ATOM 137 O GLY A 9 10.783 20.413 -17.782 1.00 0.00 O ATOM 0 H GLY A 9 10.445 19.184 -13.944 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.029 19.423 -15.648 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.352 18.060 -16.517 1.00 0.00 H new ATOM 141 N GLY A 10 9.005 20.127 -16.392 1.00 0.00 N ATOM 142 CA GLY A 10 8.122 21.059 -17.097 1.00 0.00 C ATOM 143 C GLY A 10 8.553 22.514 -16.945 1.00 0.00 C ATOM 144 O GLY A 10 9.106 22.899 -15.907 1.00 0.00 O ATOM 0 H GLY A 10 8.574 19.676 -15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.100 20.800 -18.156 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.106 20.945 -16.720 1.00 0.00 H new ATOM 148 N GLY A 11 8.315 23.315 -17.993 1.00 0.00 N ATOM 149 CA GLY A 11 8.680 24.728 -17.999 1.00 0.00 C ATOM 150 C GLY A 11 8.294 25.405 -19.294 1.00 0.00 C ATOM 151 O GLY A 11 7.680 24.778 -20.175 1.00 0.00 O ATOM 0 H GLY A 11 7.867 22.999 -18.853 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.191 25.233 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.755 24.826 -17.845 1.00 0.00 H new ATOM 155 N LEU A 12 8.653 26.692 -19.416 1.00 0.00 N ATOM 156 CA LEU A 12 8.365 27.486 -20.610 1.00 0.00 C ATOM 157 C LEU A 12 9.508 27.346 -21.627 1.00 0.00 C ATOM 158 O LEU A 12 10.647 27.753 -21.361 1.00 0.00 O ATOM 159 CB LEU A 12 8.081 28.977 -20.243 1.00 0.00 C ATOM 160 CG LEU A 12 7.536 29.924 -21.392 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.656 31.061 -20.819 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.679 30.525 -22.261 1.00 0.00 C ATOM 0 H LEU A 12 9.150 27.207 -18.689 1.00 0.00 H new ATOM 0 HA LEU A 12 7.457 27.102 -21.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.360 28.990 -19.426 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.005 29.411 -19.860 1.00 0.00 H new ATOM 0 HG LEU A 12 6.923 29.294 -22.037 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.299 31.691 -21.634 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.804 30.631 -20.293 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.244 31.663 -20.126 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.251 31.165 -23.032 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.345 31.113 -21.630 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.242 29.718 -22.730 1.00 0.00 H new ATOM 174 N VAL A 13 9.187 26.735 -22.771 1.00 0.00 N ATOM 175 CA VAL A 13 10.012 26.768 -23.994 1.00 0.00 C ATOM 176 C VAL A 13 9.205 27.501 -25.081 1.00 0.00 C ATOM 177 O VAL A 13 8.003 27.683 -24.924 1.00 0.00 O ATOM 178 CB VAL A 13 10.436 25.322 -24.482 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.302 24.601 -23.411 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.206 24.467 -24.878 1.00 0.00 C ATOM 0 H VAL A 13 8.331 26.192 -22.881 1.00 0.00 H new ATOM 0 HA VAL A 13 10.944 27.293 -23.782 1.00 0.00 H new ATOM 0 HB VAL A 13 11.045 25.446 -25.377 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.578 23.611 -23.773 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.204 25.183 -23.221 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.732 24.503 -22.487 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.538 23.482 -25.207 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.546 24.358 -24.017 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.667 24.958 -25.689 1.00 0.00 H new ATOM 190 N GLN A 14 9.864 27.950 -26.155 1.00 0.00 N ATOM 191 CA GLN A 14 9.182 28.604 -27.295 1.00 0.00 C ATOM 192 C GLN A 14 8.658 27.534 -28.269 1.00 0.00 C ATOM 193 O GLN A 14 9.104 26.376 -28.229 1.00 0.00 O ATOM 194 CB GLN A 14 10.127 29.610 -28.038 1.00 0.00 C ATOM 195 CG GLN A 14 11.323 28.979 -28.800 1.00 0.00 C ATOM 196 CD GLN A 14 12.439 28.452 -27.896 1.00 0.00 C ATOM 197 OE1 GLN A 14 12.696 28.999 -26.826 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.092 27.380 -28.303 1.00 0.00 N ATOM 0 H GLN A 14 10.875 27.875 -26.266 1.00 0.00 H new ATOM 0 HA GLN A 14 8.343 29.179 -26.904 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.530 30.183 -28.748 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.519 30.318 -27.307 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.954 28.160 -29.417 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.741 29.724 -29.477 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.856 26.948 -29.196 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.833 26.984 -27.724 1.00 0.00 H new ATOM 207 N ALA A 15 7.688 27.929 -29.114 1.00 0.00 N ATOM 208 CA ALA A 15 7.153 27.081 -30.192 1.00 0.00 C ATOM 209 C ALA A 15 8.252 26.819 -31.237 1.00 0.00 C ATOM 210 O ALA A 15 8.720 27.749 -31.900 1.00 0.00 O ATOM 211 CB ALA A 15 5.919 27.740 -30.826 1.00 0.00 C ATOM 0 H ALA A 15 7.252 28.850 -29.067 1.00 0.00 H new ATOM 0 HA ALA A 15 6.838 26.123 -29.779 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.534 27.102 -31.621 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.149 27.877 -30.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.197 28.709 -31.241 1.00 0.00 H new ATOM 217 N GLY A 16 8.670 25.550 -31.334 1.00 0.00 N ATOM 218 CA GLY A 16 9.823 25.134 -32.137 1.00 0.00 C ATOM 219 C GLY A 16 10.972 24.651 -31.265 1.00 0.00 C ATOM 220 O GLY A 16 12.020 24.242 -31.775 1.00 0.00 O ATOM 0 H GLY A 16 8.211 24.777 -30.852 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.524 24.337 -32.818 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.159 25.969 -32.751 1.00 0.00 H new ATOM 224 N GLY A 17 10.768 24.715 -29.938 1.00 0.00 N ATOM 225 CA GLY A 17 11.754 24.272 -28.960 1.00 0.00 C ATOM 226 C GLY A 17 11.612 22.801 -28.595 1.00 0.00 C ATOM 227 O GLY A 17 10.918 22.039 -29.282 1.00 0.00 O ATOM 0 H GLY A 17 9.910 25.077 -29.521 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.754 24.447 -29.356 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.658 24.875 -28.057 1.00 0.00 H new ATOM 231 N SER A 18 12.285 22.403 -27.507 1.00 0.00 N ATOM 232 CA SER A 18 12.295 21.019 -27.018 1.00 0.00 C ATOM 233 C SER A 18 12.321 21.013 -25.481 1.00 0.00 C ATOM 234 O SER A 18 13.047 21.806 -24.863 1.00 0.00 O ATOM 235 CB SER A 18 13.507 20.256 -27.604 1.00 0.00 C ATOM 236 OG SER A 18 14.731 20.901 -27.295 1.00 0.00 O ATOM 0 H SER A 18 12.843 23.039 -26.937 1.00 0.00 H new ATOM 0 HA SER A 18 11.389 20.510 -27.347 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.522 19.239 -27.211 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.400 20.178 -28.686 1.00 0.00 H new ATOM 0 HG SER A 18 15.475 20.392 -27.679 1.00 0.00 H new ATOM 242 N LEU A 19 11.526 20.114 -24.879 1.00 0.00 N ATOM 243 CA LEU A 19 11.391 19.998 -23.422 1.00 0.00 C ATOM 244 C LEU A 19 11.311 18.516 -23.026 1.00 0.00 C ATOM 245 O LEU A 19 10.506 17.764 -23.582 1.00 0.00 O ATOM 246 CB LEU A 19 10.128 20.763 -22.941 1.00 0.00 C ATOM 247 CG LEU A 19 9.929 20.875 -21.398 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.107 21.607 -20.727 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.587 21.557 -21.073 1.00 0.00 C ATOM 0 H LEU A 19 10.956 19.444 -25.395 1.00 0.00 H new ATOM 0 HA LEU A 19 12.264 20.442 -22.942 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.161 21.771 -23.355 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.251 20.273 -23.364 1.00 0.00 H new ATOM 0 HG LEU A 19 9.904 19.865 -20.989 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.934 21.666 -19.652 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.031 21.060 -20.916 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.191 22.613 -21.137 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.466 21.626 -19.992 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.574 22.558 -21.504 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.770 20.970 -21.493 1.00 0.00 H new ATOM 261 N ARG A 20 12.166 18.109 -22.073 1.00 0.00 N ATOM 262 CA ARG A 20 12.196 16.732 -21.550 1.00 0.00 C ATOM 263 C ARG A 20 11.516 16.676 -20.172 1.00 0.00 C ATOM 264 O ARG A 20 11.684 17.581 -19.348 1.00 0.00 O ATOM 265 CB ARG A 20 13.656 16.212 -21.453 1.00 0.00 C ATOM 266 CG ARG A 20 13.781 14.726 -21.021 1.00 0.00 C ATOM 267 CD ARG A 20 15.235 14.298 -20.767 1.00 0.00 C ATOM 268 NE ARG A 20 15.855 15.054 -19.656 1.00 0.00 N ATOM 269 CZ ARG A 20 16.777 14.572 -18.803 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.194 13.307 -18.885 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.280 15.365 -17.871 1.00 0.00 N ATOM 0 H ARG A 20 12.856 18.725 -21.643 1.00 0.00 H new ATOM 0 HA ARG A 20 11.650 16.088 -22.240 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.138 16.338 -22.422 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.203 16.831 -20.742 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.197 14.566 -20.115 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.350 14.090 -21.795 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.264 13.232 -20.539 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.819 14.446 -21.675 1.00 0.00 H new ATOM 0 HE ARG A 20 15.559 16.021 -19.526 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.813 12.690 -19.602 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.894 12.957 -18.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.968 16.334 -17.803 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.979 15.007 -17.220 1.00 0.00 H new ATOM 285 N LEU A 21 10.744 15.603 -19.949 1.00 0.00 N ATOM 286 CA LEU A 21 10.045 15.332 -18.685 1.00 0.00 C ATOM 287 C LEU A 21 10.637 14.075 -18.034 1.00 0.00 C ATOM 288 O LEU A 21 11.283 13.264 -18.707 1.00 0.00 O ATOM 289 CB LEU A 21 8.511 15.145 -18.912 1.00 0.00 C ATOM 290 CG LEU A 21 7.721 16.353 -19.526 1.00 0.00 C ATOM 291 CD1 LEU A 21 8.089 17.681 -18.841 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.889 16.432 -21.059 1.00 0.00 C ATOM 0 H LEU A 21 10.585 14.885 -20.656 1.00 0.00 H new ATOM 0 HA LEU A 21 10.182 16.189 -18.025 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.369 14.283 -19.564 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.056 14.897 -17.953 1.00 0.00 H new ATOM 0 HG LEU A 21 6.663 16.174 -19.332 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.521 18.494 -19.294 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.852 17.621 -17.779 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.155 17.871 -18.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.326 17.282 -21.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.944 16.555 -21.304 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.516 15.514 -21.514 1.00 0.00 H new ATOM 304 N SER A 22 10.438 13.946 -16.716 1.00 0.00 N ATOM 305 CA SER A 22 10.888 12.790 -15.922 1.00 0.00 C ATOM 306 C SER A 22 9.865 12.548 -14.796 1.00 0.00 C ATOM 307 O SER A 22 9.531 13.484 -14.064 1.00 0.00 O ATOM 308 CB SER A 22 12.290 13.067 -15.323 1.00 0.00 C ATOM 309 OG SER A 22 13.207 13.507 -16.319 1.00 0.00 O ATOM 0 H SER A 22 9.953 14.651 -16.161 1.00 0.00 H new ATOM 0 HA SER A 22 10.959 11.906 -16.556 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.210 13.823 -14.542 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.671 12.161 -14.852 1.00 0.00 H new ATOM 0 HG SER A 22 13.665 12.732 -16.707 1.00 0.00 H new ATOM 315 N CYS A 23 9.359 11.311 -14.671 1.00 0.00 N ATOM 316 CA CYS A 23 8.379 10.938 -13.630 1.00 0.00 C ATOM 317 C CYS A 23 8.913 9.747 -12.825 1.00 0.00 C ATOM 318 O CYS A 23 9.117 8.665 -13.380 1.00 0.00 O ATOM 319 CB CYS A 23 7.022 10.586 -14.277 1.00 0.00 C ATOM 320 SG CYS A 23 7.093 9.210 -15.446 1.00 0.00 S ATOM 0 H CYS A 23 9.615 10.539 -15.287 1.00 0.00 H new ATOM 0 HA CYS A 23 8.230 11.783 -12.958 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.309 10.342 -13.489 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.639 11.467 -14.793 1.00 0.00 H new ATOM 0 HG CYS A 23 8.152 9.327 -16.191 1.00 0.00 H new ATOM 326 N VAL A 24 9.170 9.957 -11.523 1.00 0.00 N ATOM 327 CA VAL A 24 9.644 8.888 -10.628 1.00 0.00 C ATOM 328 C VAL A 24 8.425 8.120 -10.071 1.00 0.00 C ATOM 329 O VAL A 24 7.426 8.734 -9.668 1.00 0.00 O ATOM 330 CB VAL A 24 10.526 9.454 -9.451 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.088 8.305 -8.563 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.664 10.369 -9.997 1.00 0.00 C ATOM 0 H VAL A 24 9.057 10.862 -11.065 1.00 0.00 H new ATOM 0 HA VAL A 24 10.278 8.212 -11.202 1.00 0.00 H new ATOM 0 HB VAL A 24 9.887 10.068 -8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.692 8.728 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.261 7.738 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.705 7.644 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.258 10.747 -9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.303 9.794 -10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.228 11.207 -10.541 1.00 0.00 H new ATOM 342 N ALA A 25 8.527 6.782 -10.070 1.00 0.00 N ATOM 343 CA ALA A 25 7.448 5.875 -9.662 1.00 0.00 C ATOM 344 C ALA A 25 7.707 5.357 -8.236 1.00 0.00 C ATOM 345 O ALA A 25 8.568 4.488 -8.022 1.00 0.00 O ATOM 346 CB ALA A 25 7.335 4.706 -10.661 1.00 0.00 C ATOM 0 H ALA A 25 9.375 6.294 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 25 6.503 6.418 -9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.532 4.038 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.118 5.097 -11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.276 4.156 -10.685 1.00 0.00 H new ATOM 352 N SER A 26 6.997 5.974 -7.278 1.00 0.00 N ATOM 353 CA SER A 26 6.885 5.538 -5.878 1.00 0.00 C ATOM 354 C SER A 26 8.246 5.599 -5.148 1.00 0.00 C ATOM 355 O SER A 26 8.507 4.804 -4.239 1.00 0.00 O ATOM 356 CB SER A 26 6.228 4.132 -5.810 1.00 0.00 C ATOM 357 OG SER A 26 4.982 4.103 -6.490 1.00 0.00 O ATOM 0 H SER A 26 6.465 6.824 -7.466 1.00 0.00 H new ATOM 0 HA SER A 26 6.234 6.232 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.900 3.394 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.081 3.849 -4.768 1.00 0.00 H new ATOM 0 HG SER A 26 4.264 3.919 -5.849 1.00 0.00 H new ATOM 363 N GLY A 27 9.081 6.590 -5.540 1.00 0.00 N ATOM 364 CA GLY A 27 10.424 6.768 -4.976 1.00 0.00 C ATOM 365 C GLY A 27 11.292 5.531 -5.187 1.00 0.00 C ATOM 366 O GLY A 27 11.744 4.913 -4.215 1.00 0.00 O ATOM 0 H GLY A 27 8.838 7.280 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.902 7.631 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.346 6.981 -3.910 1.00 0.00 H new ATOM 370 N ARG A 28 11.462 5.155 -6.472 1.00 0.00 N ATOM 371 CA ARG A 28 12.220 3.955 -6.897 1.00 0.00 C ATOM 372 C ARG A 28 11.556 2.666 -6.356 1.00 0.00 C ATOM 373 O ARG A 28 12.056 2.018 -5.425 1.00 0.00 O ATOM 374 CB ARG A 28 13.724 4.048 -6.488 1.00 0.00 C ATOM 375 CG ARG A 28 14.603 2.859 -6.941 1.00 0.00 C ATOM 376 CD ARG A 28 16.026 2.924 -6.377 1.00 0.00 C ATOM 377 NE ARG A 28 16.033 2.837 -4.908 1.00 0.00 N ATOM 378 CZ ARG A 28 17.123 2.822 -4.136 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.336 2.939 -4.663 1.00 0.00 N ATOM 380 NH2 ARG A 28 16.990 2.694 -2.825 1.00 0.00 N ATOM 0 H ARG A 28 11.073 5.681 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 28 12.193 3.911 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.141 4.966 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.785 4.132 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.135 1.926 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.649 2.841 -8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.620 2.110 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.499 3.855 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 28 15.129 2.784 -4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.446 3.042 -5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.158 2.926 -4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.061 2.608 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.816 2.681 -2.227 1.00 0.00 H new ATOM 394 N THR A 29 10.367 2.359 -6.891 1.00 0.00 N ATOM 395 CA THR A 29 9.643 1.109 -6.608 1.00 0.00 C ATOM 396 C THR A 29 8.997 0.595 -7.907 1.00 0.00 C ATOM 397 O THR A 29 8.521 1.393 -8.726 1.00 0.00 O ATOM 398 CB THR A 29 8.551 1.311 -5.509 1.00 0.00 C ATOM 399 OG1 THR A 29 9.132 1.959 -4.369 1.00 0.00 O ATOM 400 CG2 THR A 29 7.906 -0.016 -5.061 1.00 0.00 C ATOM 0 H THR A 29 9.875 2.975 -7.538 1.00 0.00 H new ATOM 0 HA THR A 29 10.356 0.376 -6.230 1.00 0.00 H new ATOM 0 HB THR A 29 7.766 1.927 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.893 2.909 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.155 0.184 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.433 -0.498 -5.917 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.673 -0.674 -4.652 1.00 0.00 H new ATOM 408 N PHE A 30 8.968 -0.734 -8.079 1.00 0.00 N ATOM 409 CA PHE A 30 8.347 -1.384 -9.241 1.00 0.00 C ATOM 410 C PHE A 30 7.019 -2.007 -8.792 1.00 0.00 C ATOM 411 O PHE A 30 6.994 -2.849 -7.893 1.00 0.00 O ATOM 412 CB PHE A 30 9.298 -2.464 -9.828 1.00 0.00 C ATOM 413 CG PHE A 30 8.755 -3.168 -11.076 1.00 0.00 C ATOM 414 CD1 PHE A 30 8.671 -2.490 -12.297 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.318 -4.496 -11.030 1.00 0.00 C ATOM 416 CE1 PHE A 30 8.174 -3.119 -13.425 1.00 0.00 C ATOM 417 CE2 PHE A 30 7.821 -5.121 -12.162 1.00 0.00 C ATOM 418 CZ PHE A 30 7.748 -4.434 -13.358 1.00 0.00 C ATOM 0 H PHE A 30 9.376 -1.390 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 30 8.159 -0.652 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.252 -1.997 -10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.498 -3.212 -9.061 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.998 -1.463 -12.360 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.369 -5.042 -10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.118 -2.582 -14.360 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.490 -6.148 -12.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.359 -4.922 -14.239 1.00 0.00 H new ATOM 428 N ARG A 31 5.926 -1.568 -9.425 1.00 0.00 N ATOM 429 CA ARG A 31 4.545 -1.980 -9.098 1.00 0.00 C ATOM 430 C ARG A 31 3.725 -2.022 -10.398 1.00 0.00 C ATOM 431 O ARG A 31 3.063 -3.023 -10.702 1.00 0.00 O ATOM 432 CB ARG A 31 3.896 -0.997 -8.065 1.00 0.00 C ATOM 433 CG ARG A 31 4.181 -1.296 -6.572 1.00 0.00 C ATOM 434 CD ARG A 31 3.590 -2.650 -6.137 1.00 0.00 C ATOM 435 NE ARG A 31 3.531 -2.814 -4.673 1.00 0.00 N ATOM 436 CZ ARG A 31 2.723 -3.675 -4.030 1.00 0.00 C ATOM 437 NH1 ARG A 31 1.891 -4.468 -4.707 1.00 0.00 N ATOM 438 NH2 ARG A 31 2.741 -3.735 -2.711 1.00 0.00 N ATOM 0 H ARG A 31 5.971 -0.902 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 31 4.560 -2.969 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.244 0.012 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.817 -1.003 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.257 -1.297 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.761 -0.501 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.585 -2.750 -6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.190 -3.455 -6.562 1.00 0.00 H new ATOM 0 HE ARG A 31 4.148 -2.232 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.862 -4.426 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.284 -5.116 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.367 -3.129 -2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.129 -4.388 -2.222 1.00 0.00 H new ATOM 452 N SER A 32 3.776 -0.909 -11.155 1.00 0.00 N ATOM 453 CA SER A 32 3.108 -0.789 -12.461 1.00 0.00 C ATOM 454 C SER A 32 3.982 -1.390 -13.574 1.00 0.00 C ATOM 455 O SER A 32 5.186 -1.604 -13.399 1.00 0.00 O ATOM 456 CB SER A 32 2.800 0.700 -12.762 1.00 0.00 C ATOM 457 OG SER A 32 2.139 0.875 -14.007 1.00 0.00 O ATOM 0 H SER A 32 4.282 -0.069 -10.876 1.00 0.00 H new ATOM 0 HA SER A 32 2.171 -1.345 -12.426 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.180 1.109 -11.964 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.731 1.267 -12.765 1.00 0.00 H new ATOM 0 HG SER A 32 1.346 0.300 -14.040 1.00 0.00 H new ATOM 463 N ASN A 33 3.338 -1.639 -14.720 1.00 0.00 N ATOM 464 CA ASN A 33 3.980 -2.153 -15.945 1.00 0.00 C ATOM 465 C ASN A 33 3.268 -1.574 -17.183 1.00 0.00 C ATOM 466 O ASN A 33 3.535 -1.988 -18.310 1.00 0.00 O ATOM 467 CB ASN A 33 3.957 -3.708 -15.966 1.00 0.00 C ATOM 468 CG ASN A 33 2.546 -4.298 -16.072 1.00 0.00 C ATOM 469 OD1 ASN A 33 2.077 -4.617 -17.159 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.856 -4.416 -14.948 1.00 0.00 N ATOM 0 H ASN A 33 2.335 -1.487 -14.829 1.00 0.00 H new ATOM 0 HA ASN A 33 5.023 -1.838 -15.960 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.554 -4.061 -16.807 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.432 -4.083 -15.059 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.904 -4.782 -14.970 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.276 -4.141 -14.060 1.00 0.00 H new ATOM 477 N ALA A 34 2.371 -0.598 -16.946 1.00 0.00 N ATOM 478 CA ALA A 34 1.621 0.095 -17.985 1.00 0.00 C ATOM 479 C ALA A 34 1.453 1.530 -17.496 1.00 0.00 C ATOM 480 O ALA A 34 0.840 1.759 -16.450 1.00 0.00 O ATOM 481 CB ALA A 34 0.259 -0.594 -18.228 1.00 0.00 C ATOM 0 H ALA A 34 2.151 -0.270 -16.006 1.00 0.00 H new ATOM 0 HA ALA A 34 2.142 0.074 -18.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.285 -0.060 -19.008 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.424 -1.625 -18.541 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.324 -0.583 -17.307 1.00 0.00 H new ATOM 487 N MET A 35 2.009 2.488 -18.240 1.00 0.00 N ATOM 488 CA MET A 35 2.099 3.879 -17.790 1.00 0.00 C ATOM 489 C MET A 35 2.096 4.805 -19.013 1.00 0.00 C ATOM 490 O MET A 35 3.017 4.749 -19.825 1.00 0.00 O ATOM 491 CB MET A 35 3.404 4.060 -16.948 1.00 0.00 C ATOM 492 CG MET A 35 3.376 5.239 -15.977 1.00 0.00 C ATOM 493 SD MET A 35 4.955 5.511 -15.130 1.00 0.00 S ATOM 494 CE MET A 35 5.170 3.980 -14.213 1.00 0.00 C ATOM 0 H MET A 35 2.407 2.324 -19.165 1.00 0.00 H new ATOM 0 HA MET A 35 1.245 4.134 -17.163 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.586 3.146 -16.383 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.245 4.187 -17.629 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.104 6.143 -16.522 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.598 5.069 -15.233 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.980 4.098 -13.493 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.247 3.739 -13.685 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.414 3.173 -14.904 1.00 0.00 H new ATOM 504 N GLY A 36 1.087 5.678 -19.111 1.00 0.00 N ATOM 505 CA GLY A 36 0.888 6.517 -20.292 1.00 0.00 C ATOM 506 C GLY A 36 1.086 7.990 -19.998 1.00 0.00 C ATOM 507 O GLY A 36 0.723 8.459 -18.916 1.00 0.00 O ATOM 0 H GLY A 36 0.392 5.820 -18.378 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.583 6.209 -21.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.118 6.359 -20.680 1.00 0.00 H new ATOM 511 N TRP A 37 1.675 8.715 -20.963 1.00 0.00 N ATOM 512 CA TRP A 37 1.786 10.181 -20.917 1.00 0.00 C ATOM 513 C TRP A 37 0.538 10.793 -21.551 1.00 0.00 C ATOM 514 O TRP A 37 0.068 10.324 -22.598 1.00 0.00 O ATOM 515 CB TRP A 37 3.057 10.673 -21.649 1.00 0.00 C ATOM 516 CG TRP A 37 4.335 10.256 -20.968 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.031 9.097 -21.161 1.00 0.00 C ATOM 518 CD2 TRP A 37 5.059 10.995 -19.966 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.148 9.080 -20.369 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.185 10.228 -19.622 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.866 12.237 -19.336 1.00 0.00 C ATOM 522 CZ2 TRP A 37 7.115 10.653 -18.679 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.794 12.658 -18.396 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.908 11.866 -18.077 1.00 0.00 C ATOM 0 H TRP A 37 2.088 8.300 -21.798 1.00 0.00 H new ATOM 0 HA TRP A 37 1.866 10.496 -19.876 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.054 10.287 -22.668 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.029 11.760 -21.720 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.742 8.308 -21.840 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.841 8.332 -20.340 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.012 12.851 -19.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.973 10.046 -18.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.658 13.609 -17.902 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.616 12.220 -17.342 1.00 0.00 H new ATOM 535 N PHE A 38 -0.001 11.814 -20.888 1.00 0.00 N ATOM 536 CA PHE A 38 -1.214 12.526 -21.309 1.00 0.00 C ATOM 537 C PHE A 38 -0.978 14.038 -21.181 1.00 0.00 C ATOM 538 O PHE A 38 -0.264 14.480 -20.283 1.00 0.00 O ATOM 539 CB PHE A 38 -2.433 12.111 -20.434 1.00 0.00 C ATOM 540 CG PHE A 38 -2.882 10.652 -20.579 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.292 9.635 -19.826 1.00 0.00 C ATOM 542 CD2 PHE A 38 -3.888 10.297 -21.480 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.689 8.319 -19.975 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.285 8.981 -21.622 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.683 7.991 -20.872 1.00 0.00 C ATOM 0 H PHE A 38 0.399 12.180 -20.024 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.433 12.267 -22.345 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.187 12.295 -19.388 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.274 12.758 -20.683 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.515 9.880 -19.117 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.363 11.063 -22.075 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.219 7.545 -19.386 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.068 8.727 -22.321 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.990 6.962 -20.988 1.00 0.00 H new ATOM 555 N ARG A 39 -1.577 14.818 -22.091 1.00 0.00 N ATOM 556 CA ARG A 39 -1.595 16.297 -22.012 1.00 0.00 C ATOM 557 C ARG A 39 -2.990 16.727 -21.545 1.00 0.00 C ATOM 558 O ARG A 39 -3.966 16.091 -21.921 1.00 0.00 O ATOM 559 CB ARG A 39 -1.284 16.929 -23.405 1.00 0.00 C ATOM 560 CG ARG A 39 -2.422 16.780 -24.453 1.00 0.00 C ATOM 561 CD ARG A 39 -2.096 17.402 -25.811 1.00 0.00 C ATOM 562 NE ARG A 39 -1.050 16.643 -26.509 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.011 17.180 -27.173 1.00 0.00 C ATOM 564 NH1 ARG A 39 0.171 18.497 -27.199 1.00 0.00 N ATOM 565 NH2 ARG A 39 0.857 16.390 -27.783 1.00 0.00 N ATOM 0 H ARG A 39 -2.065 14.447 -22.906 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.832 16.639 -21.312 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.070 17.989 -23.269 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.379 16.470 -23.803 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.639 15.721 -24.592 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.328 17.242 -24.060 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.996 17.433 -26.425 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.769 18.433 -25.672 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.117 15.625 -26.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.481 19.112 -26.712 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.963 18.893 -27.706 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.737 15.378 -27.749 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.646 16.793 -28.288 1.00 0.00 H new ATOM 579 N GLN A 40 -3.105 17.797 -20.755 1.00 0.00 N ATOM 580 CA GLN A 40 -4.425 18.291 -20.309 1.00 0.00 C ATOM 581 C GLN A 40 -4.379 19.799 -20.069 1.00 0.00 C ATOM 582 O GLN A 40 -3.521 20.288 -19.364 1.00 0.00 O ATOM 583 CB GLN A 40 -4.869 17.535 -19.021 1.00 0.00 C ATOM 584 CG GLN A 40 -6.261 17.933 -18.484 1.00 0.00 C ATOM 585 CD GLN A 40 -6.798 17.025 -17.367 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.047 16.453 -16.585 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.115 16.896 -17.292 1.00 0.00 N ATOM 0 H GLN A 40 -2.313 18.339 -20.410 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.158 18.098 -21.092 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.867 16.464 -19.226 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.130 17.712 -18.240 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.213 18.956 -18.111 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.971 17.928 -19.311 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.714 17.385 -17.957 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.529 16.308 -16.569 1.00 0.00 H new ATOM 596 N ALA A 41 -5.324 20.527 -20.655 1.00 0.00 N ATOM 597 CA ALA A 41 -5.463 21.980 -20.450 1.00 0.00 C ATOM 598 C ALA A 41 -6.604 22.229 -19.432 1.00 0.00 C ATOM 599 O ALA A 41 -7.405 21.310 -19.189 1.00 0.00 O ATOM 600 CB ALA A 41 -5.715 22.666 -21.808 1.00 0.00 C ATOM 0 H ALA A 41 -6.020 20.133 -21.288 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.550 22.411 -20.039 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.818 23.741 -21.659 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.876 22.471 -22.475 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.630 22.272 -22.251 1.00 0.00 H new ATOM 606 N PRO A 42 -6.685 23.439 -18.777 1.00 0.00 N ATOM 607 CA PRO A 42 -7.786 23.761 -17.828 1.00 0.00 C ATOM 608 C PRO A 42 -9.176 23.669 -18.513 1.00 0.00 C ATOM 609 O PRO A 42 -9.471 24.429 -19.441 1.00 0.00 O ATOM 610 CB PRO A 42 -7.455 25.210 -17.351 1.00 0.00 C ATOM 611 CG PRO A 42 -6.532 25.755 -18.402 1.00 0.00 C ATOM 612 CD PRO A 42 -5.716 24.571 -18.874 1.00 0.00 C ATOM 0 HA PRO A 42 -7.846 23.059 -16.996 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.358 25.815 -17.265 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.980 25.205 -16.370 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.092 26.199 -19.225 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.891 26.537 -17.995 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.356 24.709 -19.894 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.840 24.408 -18.246 1.00 0.00 H new ATOM 620 N GLY A 43 -10.001 22.707 -18.062 1.00 0.00 N ATOM 621 CA GLY A 43 -11.337 22.468 -18.628 1.00 0.00 C ATOM 622 C GLY A 43 -11.312 21.617 -19.899 1.00 0.00 C ATOM 623 O GLY A 43 -12.261 21.642 -20.694 1.00 0.00 O ATOM 0 H GLY A 43 -9.760 22.076 -17.297 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.958 21.974 -17.880 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.807 23.426 -18.850 1.00 0.00 H new ATOM 627 N LYS A 44 -10.225 20.853 -20.080 1.00 0.00 N ATOM 628 CA LYS A 44 -10.025 19.951 -21.231 1.00 0.00 C ATOM 629 C LYS A 44 -9.664 18.553 -20.720 1.00 0.00 C ATOM 630 O LYS A 44 -9.133 18.415 -19.625 1.00 0.00 O ATOM 631 CB LYS A 44 -8.904 20.496 -22.166 1.00 0.00 C ATOM 632 CG LYS A 44 -9.206 21.855 -22.874 1.00 0.00 C ATOM 633 CD LYS A 44 -10.000 21.724 -24.204 1.00 0.00 C ATOM 634 CE LYS A 44 -11.462 21.273 -24.042 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.143 21.151 -25.347 1.00 0.00 N ATOM 0 H LYS A 44 -9.446 20.842 -19.422 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.948 19.897 -21.809 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.992 20.609 -21.580 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.700 19.747 -22.931 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.769 22.490 -22.190 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.263 22.363 -23.077 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.986 22.687 -24.715 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.485 21.013 -24.850 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.492 20.314 -23.525 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.997 21.989 -23.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.126 20.845 -25.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.136 22.072 -25.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.647 20.449 -25.933 1.00 0.00 H new ATOM 649 N GLU A 45 -9.965 17.528 -21.517 1.00 0.00 N ATOM 650 CA GLU A 45 -9.666 16.126 -21.170 1.00 0.00 C ATOM 651 C GLU A 45 -8.193 15.802 -21.448 1.00 0.00 C ATOM 652 O GLU A 45 -7.571 16.417 -22.329 1.00 0.00 O ATOM 653 CB GLU A 45 -10.588 15.180 -21.971 1.00 0.00 C ATOM 654 CG GLU A 45 -12.082 15.378 -21.665 1.00 0.00 C ATOM 655 CD GLU A 45 -12.984 14.387 -22.409 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.222 13.275 -21.888 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.450 14.712 -23.523 1.00 0.00 O ATOM 0 H GLU A 45 -10.423 17.639 -22.422 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.849 15.981 -20.105 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.419 15.337 -23.036 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.314 14.148 -21.753 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.244 15.273 -20.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.370 16.394 -21.933 1.00 0.00 H new ATOM 664 N ARG A 46 -7.642 14.842 -20.675 1.00 0.00 N ATOM 665 CA ARG A 46 -6.259 14.385 -20.851 1.00 0.00 C ATOM 666 C ARG A 46 -6.152 13.460 -22.086 1.00 0.00 C ATOM 667 O ARG A 46 -6.721 12.364 -22.113 1.00 0.00 O ATOM 668 CB ARG A 46 -5.646 13.749 -19.547 1.00 0.00 C ATOM 669 CG ARG A 46 -6.217 12.396 -19.017 1.00 0.00 C ATOM 670 CD ARG A 46 -7.567 12.509 -18.276 1.00 0.00 C ATOM 671 NE ARG A 46 -8.728 12.552 -19.186 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.985 12.889 -18.835 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.268 13.338 -17.613 1.00 0.00 N ATOM 674 NH2 ARG A 46 -10.960 12.784 -19.724 1.00 0.00 N ATOM 0 H ARG A 46 -8.142 14.370 -19.921 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.643 15.264 -21.041 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.579 13.609 -19.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.745 14.482 -18.747 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.336 11.714 -19.859 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.486 11.948 -18.344 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.675 11.661 -17.600 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.562 13.409 -17.661 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.566 12.306 -20.162 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.526 13.433 -16.920 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.227 13.587 -17.371 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.757 12.450 -20.666 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.914 13.037 -19.467 1.00 0.00 H new ATOM 688 N GLU A 47 -5.426 13.941 -23.122 1.00 0.00 N ATOM 689 CA GLU A 47 -5.305 13.274 -24.423 1.00 0.00 C ATOM 690 C GLU A 47 -4.058 12.382 -24.444 1.00 0.00 C ATOM 691 O GLU A 47 -2.994 12.776 -23.959 1.00 0.00 O ATOM 692 CB GLU A 47 -5.229 14.342 -25.553 1.00 0.00 C ATOM 693 CG GLU A 47 -5.042 13.786 -26.984 1.00 0.00 C ATOM 694 CD GLU A 47 -6.160 12.826 -27.417 1.00 0.00 C ATOM 695 OE1 GLU A 47 -5.926 11.593 -27.467 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.280 13.292 -27.706 1.00 0.00 O ATOM 0 H GLU A 47 -4.904 14.816 -23.069 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.181 12.646 -24.588 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.143 14.936 -25.529 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.403 15.019 -25.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.996 14.619 -27.686 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.085 13.267 -27.042 1.00 0.00 H new ATOM 703 N PHE A 48 -4.226 11.197 -25.039 1.00 0.00 N ATOM 704 CA PHE A 48 -3.206 10.147 -25.137 1.00 0.00 C ATOM 705 C PHE A 48 -2.015 10.620 -26.001 1.00 0.00 C ATOM 706 O PHE A 48 -2.155 10.807 -27.216 1.00 0.00 O ATOM 707 CB PHE A 48 -3.887 8.890 -25.740 1.00 0.00 C ATOM 708 CG PHE A 48 -3.039 7.619 -25.763 1.00 0.00 C ATOM 709 CD1 PHE A 48 -3.036 6.743 -24.677 1.00 0.00 C ATOM 710 CD2 PHE A 48 -2.265 7.284 -26.879 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.285 5.586 -24.701 1.00 0.00 C ATOM 712 CE2 PHE A 48 -1.512 6.129 -26.898 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.528 5.279 -25.815 1.00 0.00 C ATOM 0 H PHE A 48 -5.106 10.933 -25.481 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.800 9.911 -24.153 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.797 8.687 -25.175 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.191 9.120 -26.761 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.630 6.974 -23.805 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.257 7.939 -27.738 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.289 4.921 -23.850 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.910 5.891 -27.762 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.947 4.369 -25.836 1.00 0.00 H new ATOM 723 N VAL A 49 -0.865 10.841 -25.352 1.00 0.00 N ATOM 724 CA VAL A 49 0.384 11.243 -26.029 1.00 0.00 C ATOM 725 C VAL A 49 1.242 9.995 -26.317 1.00 0.00 C ATOM 726 O VAL A 49 1.705 9.792 -27.449 1.00 0.00 O ATOM 727 CB VAL A 49 1.198 12.287 -25.163 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.524 12.721 -25.859 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.312 13.514 -24.814 1.00 0.00 C ATOM 0 H VAL A 49 -0.770 10.747 -24.341 1.00 0.00 H new ATOM 0 HA VAL A 49 0.125 11.728 -26.970 1.00 0.00 H new ATOM 0 HB VAL A 49 1.481 11.793 -24.233 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.049 13.438 -25.228 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.155 11.846 -26.017 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.296 13.182 -26.820 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.889 14.221 -24.218 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.018 13.998 -25.733 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.558 13.185 -24.245 1.00 0.00 H new ATOM 739 N ALA A 50 1.418 9.146 -25.282 1.00 0.00 N ATOM 740 CA ALA A 50 2.250 7.925 -25.359 1.00 0.00 C ATOM 741 C ALA A 50 1.802 6.890 -24.309 1.00 0.00 C ATOM 742 O ALA A 50 0.964 7.190 -23.451 1.00 0.00 O ATOM 743 CB ALA A 50 3.739 8.286 -25.183 1.00 0.00 C ATOM 0 H ALA A 50 0.987 9.288 -24.368 1.00 0.00 H new ATOM 0 HA ALA A 50 2.119 7.475 -26.343 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.342 7.380 -25.241 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.042 8.975 -25.971 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.887 8.758 -24.212 1.00 0.00 H new ATOM 749 N ALA A 51 2.372 5.667 -24.391 1.00 0.00 N ATOM 750 CA ALA A 51 2.115 4.575 -23.431 1.00 0.00 C ATOM 751 C ALA A 51 3.286 3.589 -23.412 1.00 0.00 C ATOM 752 O ALA A 51 3.755 3.114 -24.462 1.00 0.00 O ATOM 753 CB ALA A 51 0.806 3.833 -23.739 1.00 0.00 C ATOM 0 H ALA A 51 3.027 5.410 -25.130 1.00 0.00 H new ATOM 0 HA ALA A 51 2.013 5.030 -22.446 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.658 3.038 -23.008 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.029 4.532 -23.690 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.859 3.401 -24.738 1.00 0.00 H new ATOM 759 N ILE A 52 3.743 3.292 -22.197 1.00 0.00 N ATOM 760 CA ILE A 52 4.836 2.373 -21.935 1.00 0.00 C ATOM 761 C ILE A 52 4.241 1.132 -21.254 1.00 0.00 C ATOM 762 O ILE A 52 3.778 1.210 -20.118 1.00 0.00 O ATOM 763 CB ILE A 52 5.951 3.034 -21.006 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.590 4.322 -21.653 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.054 2.010 -20.653 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.746 5.588 -21.599 1.00 0.00 C ATOM 0 H ILE A 52 3.349 3.698 -21.348 1.00 0.00 H new ATOM 0 HA ILE A 52 5.325 2.108 -22.872 1.00 0.00 H new ATOM 0 HB ILE A 52 5.448 3.345 -20.090 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.539 4.521 -21.155 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.817 4.105 -22.697 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.802 2.485 -20.019 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.611 1.167 -20.123 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.527 1.655 -21.568 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.287 6.407 -22.073 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.806 5.421 -22.125 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.540 5.844 -20.560 1.00 0.00 H new ATOM 778 N ARG A 53 4.250 -0.008 -21.965 1.00 0.00 N ATOM 779 CA ARG A 53 3.831 -1.321 -21.427 1.00 0.00 C ATOM 780 C ARG A 53 5.024 -2.277 -21.516 1.00 0.00 C ATOM 781 O ARG A 53 5.560 -2.462 -22.610 1.00 0.00 O ATOM 782 CB ARG A 53 2.610 -1.885 -22.205 1.00 0.00 C ATOM 783 CG ARG A 53 1.337 -1.019 -22.095 1.00 0.00 C ATOM 784 CD ARG A 53 0.132 -1.635 -22.828 1.00 0.00 C ATOM 785 NE ARG A 53 -1.061 -0.769 -22.740 1.00 0.00 N ATOM 786 CZ ARG A 53 -1.855 -0.418 -23.768 1.00 0.00 C ATOM 787 NH1 ARG A 53 -1.596 -0.830 -25.007 1.00 0.00 N ATOM 788 NH2 ARG A 53 -2.913 0.348 -23.547 1.00 0.00 N ATOM 0 H ARG A 53 4.551 -0.048 -22.939 1.00 0.00 H new ATOM 0 HA ARG A 53 3.520 -1.209 -20.388 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.878 -1.986 -23.257 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.388 -2.886 -21.835 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.086 -0.882 -21.043 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.539 -0.030 -22.505 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.387 -1.798 -23.875 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.094 -2.611 -22.400 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.305 -0.405 -21.819 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.785 -1.421 -25.189 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.209 -0.554 -25.775 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.122 0.668 -22.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.519 0.617 -24.322 1.00 0.00 H new ATOM 851 N SER A 58 6.080 -0.674 -24.681 1.00 0.00 N ATOM 852 CA SER A 58 7.046 0.216 -23.986 1.00 0.00 C ATOM 853 C SER A 58 7.236 1.585 -24.697 1.00 0.00 C ATOM 854 O SER A 58 8.068 2.392 -24.277 1.00 0.00 O ATOM 855 CB SER A 58 8.404 -0.497 -23.742 1.00 0.00 C ATOM 856 OG SER A 58 8.235 -1.684 -22.973 1.00 0.00 O ATOM 0 HA SER A 58 6.607 0.440 -23.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.865 -0.744 -24.699 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.085 0.180 -23.225 1.00 0.00 H new ATOM 0 HG SER A 58 7.280 -1.887 -22.890 1.00 0.00 H new ATOM 862 N THR A 59 6.377 1.868 -25.697 1.00 0.00 N ATOM 863 CA THR A 59 6.505 3.008 -26.625 1.00 0.00 C ATOM 864 C THR A 59 5.166 3.193 -27.372 1.00 0.00 C ATOM 865 O THR A 59 4.430 2.218 -27.582 1.00 0.00 O ATOM 866 CB THR A 59 7.671 2.831 -27.691 1.00 0.00 C ATOM 867 OG1 THR A 59 7.693 1.483 -28.184 1.00 0.00 O ATOM 868 CG2 THR A 59 9.068 3.213 -27.153 1.00 0.00 C ATOM 0 H THR A 59 5.554 1.295 -25.886 1.00 0.00 H new ATOM 0 HA THR A 59 6.757 3.882 -26.024 1.00 0.00 H new ATOM 0 HB THR A 59 7.448 3.526 -28.500 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.414 1.387 -28.841 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.812 3.066 -27.936 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.066 4.259 -26.846 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.313 2.584 -26.297 1.00 0.00 H new ATOM 876 N TYR A 60 4.863 4.445 -27.742 1.00 0.00 N ATOM 877 CA TYR A 60 3.708 4.806 -28.584 1.00 0.00 C ATOM 878 C TYR A 60 4.036 6.126 -29.297 1.00 0.00 C ATOM 879 O TYR A 60 4.277 7.146 -28.639 1.00 0.00 O ATOM 880 CB TYR A 60 2.381 4.915 -27.753 1.00 0.00 C ATOM 881 CG TYR A 60 1.368 3.797 -28.048 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.247 2.677 -27.218 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.548 3.863 -29.177 1.00 0.00 C ATOM 884 CE1 TYR A 60 0.343 1.672 -27.505 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.356 2.862 -29.462 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.456 1.769 -28.626 1.00 0.00 C ATOM 887 OH TYR A 60 -1.354 0.767 -28.917 1.00 0.00 O ATOM 0 H TYR A 60 5.422 5.251 -27.461 1.00 0.00 H new ATOM 0 HA TYR A 60 3.533 4.018 -29.317 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.626 4.899 -26.691 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.914 5.878 -27.957 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.870 2.597 -26.339 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.624 4.713 -29.838 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.262 0.814 -26.854 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.984 2.933 -30.337 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.839 0.991 -29.739 1.00 0.00 H new ATOM 897 N TYR A 61 4.073 6.073 -30.641 1.00 0.00 N ATOM 898 CA TYR A 61 4.456 7.207 -31.494 1.00 0.00 C ATOM 899 C TYR A 61 3.924 7.000 -32.924 1.00 0.00 C ATOM 900 O TYR A 61 3.912 5.876 -33.436 1.00 0.00 O ATOM 901 CB TYR A 61 6.014 7.389 -31.502 1.00 0.00 C ATOM 902 CG TYR A 61 6.810 6.126 -31.914 1.00 0.00 C ATOM 903 CD1 TYR A 61 7.261 5.931 -33.229 1.00 0.00 C ATOM 904 CD2 TYR A 61 7.090 5.113 -30.983 1.00 0.00 C ATOM 905 CE1 TYR A 61 7.950 4.785 -33.590 1.00 0.00 C ATOM 906 CE2 TYR A 61 7.780 3.971 -31.345 1.00 0.00 C ATOM 907 CZ TYR A 61 8.206 3.812 -32.645 1.00 0.00 C ATOM 908 OH TYR A 61 8.895 2.671 -33.003 1.00 0.00 O ATOM 0 H TYR A 61 3.835 5.233 -31.168 1.00 0.00 H new ATOM 0 HA TYR A 61 4.011 8.115 -31.088 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.268 8.201 -32.184 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.336 7.696 -30.507 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.067 6.689 -33.973 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.759 5.228 -29.961 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.286 4.653 -34.608 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.984 3.206 -30.611 1.00 0.00 H new ATOM 0 HH TYR A 61 8.992 2.089 -32.221 1.00 0.00 H new ATOM 918 N ALA A 62 3.446 8.090 -33.537 1.00 0.00 N ATOM 919 CA ALA A 62 3.135 8.148 -34.977 1.00 0.00 C ATOM 920 C ALA A 62 4.389 8.582 -35.755 1.00 0.00 C ATOM 921 O ALA A 62 5.365 9.042 -35.151 1.00 0.00 O ATOM 922 CB ALA A 62 1.974 9.131 -35.226 1.00 0.00 C ATOM 0 H ALA A 62 3.262 8.965 -33.047 1.00 0.00 H new ATOM 0 HA ALA A 62 2.829 7.161 -35.324 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.751 9.168 -36.292 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.091 8.796 -34.682 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.258 10.125 -34.880 1.00 0.00 H new ATOM 928 N ASP A 63 4.356 8.446 -37.095 1.00 0.00 N ATOM 929 CA ASP A 63 5.464 8.890 -37.977 1.00 0.00 C ATOM 930 C ASP A 63 5.663 10.427 -37.884 1.00 0.00 C ATOM 931 O ASP A 63 6.790 10.931 -37.998 1.00 0.00 O ATOM 932 CB ASP A 63 5.195 8.459 -39.446 1.00 0.00 C ATOM 933 CG ASP A 63 6.334 8.853 -40.405 1.00 0.00 C ATOM 934 OD1 ASP A 63 6.179 9.833 -41.171 1.00 0.00 O ATOM 935 OD2 ASP A 63 7.402 8.205 -40.377 1.00 0.00 O ATOM 0 H ASP A 63 3.571 8.030 -37.597 1.00 0.00 H new ATOM 0 HA ASP A 63 6.383 8.410 -37.639 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.054 7.379 -39.482 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.265 8.914 -39.788 1.00 0.00 H new ATOM 940 N SER A 64 4.548 11.141 -37.641 1.00 0.00 N ATOM 941 CA SER A 64 4.510 12.610 -37.481 1.00 0.00 C ATOM 942 C SER A 64 5.305 13.093 -36.243 1.00 0.00 C ATOM 943 O SER A 64 5.782 14.231 -36.218 1.00 0.00 O ATOM 944 CB SER A 64 3.037 13.066 -37.379 1.00 0.00 C ATOM 945 OG SER A 64 2.358 12.379 -36.332 1.00 0.00 O ATOM 0 H SER A 64 3.630 10.706 -37.548 1.00 0.00 H new ATOM 0 HA SER A 64 4.987 13.056 -38.354 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.997 14.140 -37.199 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.530 12.883 -38.327 1.00 0.00 H new ATOM 0 HG SER A 64 1.429 12.687 -36.288 1.00 0.00 H new ATOM 951 N VAL A 65 5.425 12.224 -35.217 1.00 0.00 N ATOM 952 CA VAL A 65 6.163 12.534 -33.963 1.00 0.00 C ATOM 953 C VAL A 65 7.365 11.578 -33.760 1.00 0.00 C ATOM 954 O VAL A 65 8.035 11.634 -32.724 1.00 0.00 O ATOM 955 CB VAL A 65 5.206 12.484 -32.706 1.00 0.00 C ATOM 956 CG1 VAL A 65 4.056 13.516 -32.836 1.00 0.00 C ATOM 957 CG2 VAL A 65 4.663 11.055 -32.463 1.00 0.00 C ATOM 0 H VAL A 65 5.016 11.290 -35.229 1.00 0.00 H new ATOM 0 HA VAL A 65 6.549 13.549 -34.062 1.00 0.00 H new ATOM 0 HB VAL A 65 5.796 12.758 -31.831 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.414 13.458 -31.957 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.475 14.519 -32.914 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.470 13.297 -33.728 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.009 11.058 -31.591 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.101 10.726 -33.337 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.496 10.374 -32.289 1.00 0.00 H new ATOM 967 N LYS A 66 7.631 10.719 -34.765 1.00 0.00 N ATOM 968 CA LYS A 66 8.735 9.733 -34.738 1.00 0.00 C ATOM 969 C LYS A 66 10.092 10.467 -34.776 1.00 0.00 C ATOM 970 O LYS A 66 10.419 11.128 -35.766 1.00 0.00 O ATOM 971 CB LYS A 66 8.566 8.745 -35.938 1.00 0.00 C ATOM 972 CG LYS A 66 9.572 7.559 -36.042 1.00 0.00 C ATOM 973 CD LYS A 66 10.875 7.882 -36.822 1.00 0.00 C ATOM 974 CE LYS A 66 10.619 8.394 -38.251 1.00 0.00 C ATOM 975 NZ LYS A 66 9.845 7.428 -39.085 1.00 0.00 N ATOM 0 H LYS A 66 7.083 10.688 -35.625 1.00 0.00 H new ATOM 0 HA LYS A 66 8.706 9.153 -33.816 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.560 8.329 -35.892 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.630 9.322 -36.860 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.838 7.236 -35.035 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.074 6.719 -36.525 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.443 8.632 -36.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.493 6.985 -36.870 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.077 9.339 -38.201 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.574 8.599 -38.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.388 7.196 -39.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.671 6.560 -38.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.936 7.854 -39.357 1.00 0.00 H new ATOM 989 N GLY A 67 10.849 10.358 -33.670 1.00 0.00 N ATOM 990 CA GLY A 67 12.139 11.041 -33.509 1.00 0.00 C ATOM 991 C GLY A 67 12.011 12.336 -32.715 1.00 0.00 C ATOM 992 O GLY A 67 12.964 12.774 -32.061 1.00 0.00 O ATOM 0 H GLY A 67 10.581 9.793 -32.864 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.840 10.376 -33.005 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.557 11.259 -34.492 1.00 0.00 H new ATOM 996 N ARG A 68 10.820 12.950 -32.786 1.00 0.00 N ATOM 997 CA ARG A 68 10.478 14.169 -32.037 1.00 0.00 C ATOM 998 C ARG A 68 10.134 13.803 -30.584 1.00 0.00 C ATOM 999 O ARG A 68 10.901 14.082 -29.660 1.00 0.00 O ATOM 1000 CB ARG A 68 9.283 14.882 -32.722 1.00 0.00 C ATOM 1001 CG ARG A 68 9.582 15.450 -34.120 1.00 0.00 C ATOM 1002 CD ARG A 68 8.312 15.961 -34.821 1.00 0.00 C ATOM 1003 NE ARG A 68 7.532 16.903 -33.988 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.412 17.526 -34.382 1.00 0.00 C ATOM 1005 NH1 ARG A 68 5.946 17.386 -35.621 1.00 0.00 N ATOM 1006 NH2 ARG A 68 5.768 18.314 -33.535 1.00 0.00 N ATOM 0 H ARG A 68 10.058 12.610 -33.372 1.00 0.00 H new ATOM 0 HA ARG A 68 11.330 14.848 -32.031 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.455 14.177 -32.802 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.948 15.696 -32.079 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.301 16.265 -34.034 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.048 14.678 -34.732 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.591 16.453 -35.753 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.683 15.111 -35.085 1.00 0.00 H new ATOM 0 HE ARG A 68 7.871 17.092 -33.045 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.443 16.797 -36.289 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.092 17.868 -35.902 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.124 18.445 -32.588 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.915 18.790 -33.829 1.00 0.00 H new ATOM 1020 N PHE A 69 8.974 13.155 -30.409 1.00 0.00 N ATOM 1021 CA PHE A 69 8.491 12.697 -29.105 1.00 0.00 C ATOM 1022 C PHE A 69 9.007 11.267 -28.881 1.00 0.00 C ATOM 1023 O PHE A 69 8.729 10.359 -29.681 1.00 0.00 O ATOM 1024 CB PHE A 69 6.935 12.756 -29.062 1.00 0.00 C ATOM 1025 CG PHE A 69 6.341 14.180 -29.127 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.650 14.729 -28.038 1.00 0.00 C ATOM 1027 CD2 PHE A 69 6.478 14.969 -30.273 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.126 16.012 -28.100 1.00 0.00 C ATOM 1029 CE2 PHE A 69 5.954 16.250 -30.332 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.279 16.771 -29.247 1.00 0.00 C ATOM 0 H PHE A 69 8.341 12.933 -31.178 1.00 0.00 H new ATOM 0 HA PHE A 69 8.861 13.341 -28.308 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.540 12.174 -29.895 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.592 12.275 -28.146 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.524 14.145 -27.138 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.003 14.572 -31.129 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.597 16.420 -27.251 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.074 16.841 -31.228 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.871 17.770 -29.293 1.00 0.00 H new ATOM 1040 N THR A 70 9.769 11.087 -27.803 1.00 0.00 N ATOM 1041 CA THR A 70 10.414 9.817 -27.453 1.00 0.00 C ATOM 1042 C THR A 70 10.211 9.544 -25.959 1.00 0.00 C ATOM 1043 O THR A 70 10.305 10.457 -25.137 1.00 0.00 O ATOM 1044 CB THR A 70 11.944 9.854 -27.808 1.00 0.00 C ATOM 1045 OG1 THR A 70 12.103 10.085 -29.221 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.677 8.552 -27.424 1.00 0.00 C ATOM 0 H THR A 70 9.961 11.833 -27.134 1.00 0.00 H new ATOM 0 HA THR A 70 9.959 9.012 -28.031 1.00 0.00 H new ATOM 0 HB THR A 70 12.388 10.663 -27.229 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.057 10.110 -29.443 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.730 8.635 -27.692 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.588 8.388 -26.350 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.231 7.713 -27.958 1.00 0.00 H new ATOM 1054 N ILE A 71 9.917 8.284 -25.631 1.00 0.00 N ATOM 1055 CA ILE A 71 9.722 7.816 -24.255 1.00 0.00 C ATOM 1056 C ILE A 71 10.760 6.737 -23.931 1.00 0.00 C ATOM 1057 O ILE A 71 11.125 5.926 -24.789 1.00 0.00 O ATOM 1058 CB ILE A 71 8.260 7.270 -23.975 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.770 6.216 -25.033 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.258 8.431 -23.854 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.329 6.765 -26.392 1.00 0.00 C ATOM 0 H ILE A 71 9.806 7.546 -26.326 1.00 0.00 H new ATOM 0 HA ILE A 71 9.854 8.680 -23.604 1.00 0.00 H new ATOM 0 HB ILE A 71 8.311 6.741 -23.023 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.575 5.500 -25.199 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.936 5.663 -24.602 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.262 8.033 -23.662 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.553 9.082 -23.031 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.248 9.001 -24.783 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.014 5.941 -27.032 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.497 7.455 -26.253 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.162 7.290 -26.860 1.00 0.00 H new ATOM 1073 N SER A 72 11.232 6.765 -22.683 1.00 0.00 N ATOM 1074 CA SER A 72 12.231 5.834 -22.153 1.00 0.00 C ATOM 1075 C SER A 72 11.809 5.438 -20.738 1.00 0.00 C ATOM 1076 O SER A 72 11.279 6.264 -20.001 1.00 0.00 O ATOM 1077 CB SER A 72 13.627 6.510 -22.140 1.00 0.00 C ATOM 1078 OG SER A 72 14.639 5.637 -21.652 1.00 0.00 O ATOM 0 H SER A 72 10.923 7.452 -21.996 1.00 0.00 H new ATOM 0 HA SER A 72 12.295 4.944 -22.780 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.883 6.833 -23.149 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.590 7.405 -21.519 1.00 0.00 H new ATOM 0 HG SER A 72 15.503 6.100 -21.661 1.00 0.00 H new ATOM 1084 N ARG A 73 12.028 4.176 -20.379 1.00 0.00 N ATOM 1085 CA ARG A 73 11.729 3.659 -19.035 1.00 0.00 C ATOM 1086 C ARG A 73 13.044 3.234 -18.371 1.00 0.00 C ATOM 1087 O ARG A 73 13.781 2.405 -18.919 1.00 0.00 O ATOM 1088 CB ARG A 73 10.749 2.457 -19.137 1.00 0.00 C ATOM 1089 CG ARG A 73 10.380 1.792 -17.783 1.00 0.00 C ATOM 1090 CD ARG A 73 9.461 0.566 -17.958 1.00 0.00 C ATOM 1091 NE ARG A 73 10.081 -0.465 -18.828 1.00 0.00 N ATOM 1092 CZ ARG A 73 9.479 -1.087 -19.859 1.00 0.00 C ATOM 1093 NH1 ARG A 73 8.218 -0.820 -20.164 1.00 0.00 N ATOM 1094 NH2 ARG A 73 10.130 -1.986 -20.575 1.00 0.00 N ATOM 0 H ARG A 73 12.419 3.476 -21.010 1.00 0.00 H new ATOM 0 HA ARG A 73 11.253 4.432 -18.431 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.832 2.795 -19.620 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.191 1.702 -19.787 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.293 1.488 -17.271 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.886 2.525 -17.145 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.241 0.134 -16.982 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.511 0.882 -18.388 1.00 0.00 H new ATOM 0 HE ARG A 73 11.047 -0.725 -18.627 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.694 -0.138 -19.616 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.771 -1.297 -20.947 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.098 -2.215 -20.349 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.665 -2.452 -21.354 1.00 0.00 H new ATOM 1108 N ASP A 74 13.319 3.811 -17.195 1.00 0.00 N ATOM 1109 CA ASP A 74 14.516 3.517 -16.400 1.00 0.00 C ATOM 1110 C ASP A 74 14.111 2.596 -15.242 1.00 0.00 C ATOM 1111 O ASP A 74 13.147 2.885 -14.530 1.00 0.00 O ATOM 1112 CB ASP A 74 15.147 4.831 -15.857 1.00 0.00 C ATOM 1113 CG ASP A 74 16.551 4.632 -15.274 1.00 0.00 C ATOM 1114 OD1 ASP A 74 17.545 4.998 -15.936 1.00 0.00 O ATOM 1115 OD2 ASP A 74 16.665 4.119 -14.150 1.00 0.00 O ATOM 0 H ASP A 74 12.708 4.504 -16.764 1.00 0.00 H new ATOM 0 HA ASP A 74 15.263 3.024 -17.022 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.196 5.563 -16.663 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.497 5.247 -15.088 1.00 0.00 H new ATOM 1120 N ASN A 75 14.847 1.493 -15.078 1.00 0.00 N ATOM 1121 CA ASN A 75 14.593 0.481 -14.033 1.00 0.00 C ATOM 1122 C ASN A 75 15.313 0.876 -12.721 1.00 0.00 C ATOM 1123 O ASN A 75 14.773 0.674 -11.624 1.00 0.00 O ATOM 1124 CB ASN A 75 15.082 -0.907 -14.557 1.00 0.00 C ATOM 1125 CG ASN A 75 14.732 -2.115 -13.664 1.00 0.00 C ATOM 1126 OD1 ASN A 75 14.651 -2.019 -12.449 1.00 0.00 O ATOM 1127 ND2 ASN A 75 14.540 -3.278 -14.266 1.00 0.00 N ATOM 0 H ASN A 75 15.646 1.270 -15.671 1.00 0.00 H new ATOM 0 HA ASN A 75 13.527 0.423 -13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.656 -1.073 -15.546 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.165 -0.869 -14.679 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.321 -4.108 -13.715 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.611 -3.344 -15.281 1.00 0.00 H new ATOM 1134 N ALA A 76 16.514 1.476 -12.869 1.00 0.00 N ATOM 1135 CA ALA A 76 17.461 1.740 -11.760 1.00 0.00 C ATOM 1136 C ALA A 76 16.846 2.610 -10.645 1.00 0.00 C ATOM 1137 O ALA A 76 16.942 2.255 -9.467 1.00 0.00 O ATOM 1138 CB ALA A 76 18.747 2.383 -12.300 1.00 0.00 C ATOM 0 H ALA A 76 16.859 1.796 -13.774 1.00 0.00 H new ATOM 0 HA ALA A 76 17.701 0.777 -11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.434 2.572 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.217 1.710 -13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.504 3.325 -12.792 1.00 0.00 H new ATOM 1144 N LYS A 77 16.210 3.745 -11.018 1.00 0.00 N ATOM 1145 CA LYS A 77 15.484 4.610 -10.046 1.00 0.00 C ATOM 1146 C LYS A 77 13.984 4.694 -10.386 1.00 0.00 C ATOM 1147 O LYS A 77 13.262 5.534 -9.823 1.00 0.00 O ATOM 1148 CB LYS A 77 16.122 6.033 -9.884 1.00 0.00 C ATOM 1149 CG LYS A 77 16.211 6.918 -11.149 1.00 0.00 C ATOM 1150 CD LYS A 77 17.376 6.533 -12.084 1.00 0.00 C ATOM 1151 CE LYS A 77 17.555 7.520 -13.245 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.631 7.092 -14.171 1.00 0.00 N ATOM 0 H LYS A 77 16.182 4.086 -11.979 1.00 0.00 H new ATOM 0 HA LYS A 77 15.585 4.128 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.549 6.576 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.130 5.908 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.273 6.847 -11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.325 7.959 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.299 6.486 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.200 5.535 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.617 7.609 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 77 17.788 8.508 -12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.036 7.926 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.375 6.601 -13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.237 6.448 -14.887 1.00 0.00 H new ATOM 1166 N ASN A 78 13.525 3.767 -11.264 1.00 0.00 N ATOM 1167 CA ASN A 78 12.110 3.633 -11.683 1.00 0.00 C ATOM 1168 C ASN A 78 11.538 4.971 -12.165 1.00 0.00 C ATOM 1169 O ASN A 78 10.579 5.493 -11.600 1.00 0.00 O ATOM 1170 CB ASN A 78 11.246 3.013 -10.552 1.00 0.00 C ATOM 1171 CG ASN A 78 11.626 1.571 -10.238 1.00 0.00 C ATOM 1172 OD1 ASN A 78 12.483 1.313 -9.394 1.00 0.00 O ATOM 1173 ND2 ASN A 78 10.993 0.625 -10.917 1.00 0.00 N ATOM 0 H ASN A 78 14.138 3.082 -11.706 1.00 0.00 H new ATOM 0 HA ASN A 78 12.079 2.948 -12.530 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.351 3.616 -9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.196 3.052 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.211 -0.357 -10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.288 0.879 -11.609 1.00 0.00 H new ATOM 1180 N THR A 79 12.166 5.540 -13.196 1.00 0.00 N ATOM 1181 CA THR A 79 11.782 6.859 -13.721 1.00 0.00 C ATOM 1182 C THR A 79 11.529 6.759 -15.232 1.00 0.00 C ATOM 1183 O THR A 79 12.366 6.257 -15.975 1.00 0.00 O ATOM 1184 CB THR A 79 12.900 7.919 -13.401 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.106 7.996 -11.976 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.553 9.324 -13.943 1.00 0.00 C ATOM 0 H THR A 79 12.948 5.108 -13.689 1.00 0.00 H new ATOM 0 HA THR A 79 10.862 7.188 -13.238 1.00 0.00 H new ATOM 0 HB THR A 79 13.810 7.587 -13.900 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.804 8.656 -11.782 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.356 10.018 -13.696 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.434 9.277 -15.025 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.623 9.669 -13.491 1.00 0.00 H new ATOM 1194 N VAL A 80 10.373 7.264 -15.683 1.00 0.00 N ATOM 1195 CA VAL A 80 10.005 7.277 -17.105 1.00 0.00 C ATOM 1196 C VAL A 80 10.209 8.699 -17.646 1.00 0.00 C ATOM 1197 O VAL A 80 9.714 9.668 -17.070 1.00 0.00 O ATOM 1198 CB VAL A 80 8.523 6.793 -17.336 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.173 6.741 -18.848 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.274 5.422 -16.649 1.00 0.00 C ATOM 0 H VAL A 80 9.667 7.675 -15.072 1.00 0.00 H new ATOM 0 HA VAL A 80 10.644 6.577 -17.643 1.00 0.00 H new ATOM 0 HB VAL A 80 7.858 7.523 -16.875 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.144 6.403 -18.972 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.283 7.735 -19.281 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.846 6.048 -19.354 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.244 5.110 -16.823 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.954 4.678 -17.064 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.449 5.515 -15.577 1.00 0.00 H new ATOM 1210 N TYR A 81 10.988 8.811 -18.723 1.00 0.00 N ATOM 1211 CA TYR A 81 11.308 10.092 -19.367 1.00 0.00 C ATOM 1212 C TYR A 81 10.461 10.280 -20.635 1.00 0.00 C ATOM 1213 O TYR A 81 10.074 9.303 -21.281 1.00 0.00 O ATOM 1214 CB TYR A 81 12.815 10.142 -19.731 1.00 0.00 C ATOM 1215 CG TYR A 81 13.775 9.960 -18.540 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.092 8.690 -18.042 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.373 11.063 -17.926 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.965 8.535 -16.980 1.00 0.00 C ATOM 1219 CE2 TYR A 81 15.244 10.911 -16.865 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.539 9.650 -16.397 1.00 0.00 C ATOM 1221 OH TYR A 81 16.411 9.502 -15.345 1.00 0.00 O ATOM 0 H TYR A 81 11.421 8.008 -19.180 1.00 0.00 H new ATOM 0 HA TYR A 81 11.081 10.898 -18.669 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.022 9.366 -20.468 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.027 11.099 -20.208 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.647 7.816 -18.495 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.150 12.055 -18.289 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.197 7.548 -16.608 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.692 11.779 -16.404 1.00 0.00 H new ATOM 0 HH TYR A 81 16.724 10.384 -15.053 1.00 0.00 H new ATOM 1231 N LEU A 82 10.175 11.548 -20.969 1.00 0.00 N ATOM 1232 CA LEU A 82 9.522 11.939 -22.228 1.00 0.00 C ATOM 1233 C LEU A 82 10.297 13.117 -22.844 1.00 0.00 C ATOM 1234 O LEU A 82 10.137 14.263 -22.422 1.00 0.00 O ATOM 1235 CB LEU A 82 8.036 12.321 -21.974 1.00 0.00 C ATOM 1236 CG LEU A 82 7.243 12.919 -23.187 1.00 0.00 C ATOM 1237 CD1 LEU A 82 7.148 11.945 -24.379 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.851 13.412 -22.747 1.00 0.00 C ATOM 0 H LEU A 82 10.393 12.340 -20.365 1.00 0.00 H new ATOM 0 HA LEU A 82 9.531 11.100 -22.924 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.510 11.430 -21.630 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.006 13.044 -21.159 1.00 0.00 H new ATOM 0 HG LEU A 82 7.812 13.778 -23.542 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.588 12.414 -25.188 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.151 11.697 -24.727 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.638 11.034 -24.065 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.322 13.822 -23.607 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.283 12.578 -22.335 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.962 14.185 -21.987 1.00 0.00 H new ATOM 1250 N GLN A 83 11.158 12.815 -23.819 1.00 0.00 N ATOM 1251 CA GLN A 83 11.898 13.829 -24.578 1.00 0.00 C ATOM 1252 C GLN A 83 11.036 14.297 -25.759 1.00 0.00 C ATOM 1253 O GLN A 83 10.893 13.585 -26.753 1.00 0.00 O ATOM 1254 CB GLN A 83 13.268 13.269 -25.057 1.00 0.00 C ATOM 1255 CG GLN A 83 14.128 14.245 -25.901 1.00 0.00 C ATOM 1256 CD GLN A 83 14.342 15.616 -25.239 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.263 15.793 -24.443 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.515 16.602 -25.590 1.00 0.00 N ATOM 0 H GLN A 83 11.363 11.858 -24.106 1.00 0.00 H new ATOM 0 HA GLN A 83 12.110 14.684 -23.937 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.844 12.968 -24.182 1.00 0.00 H new ATOM 0 HB3 GLN A 83 13.088 12.369 -25.645 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.099 13.788 -26.090 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.650 14.391 -26.870 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.761 16.423 -26.253 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.637 17.535 -25.196 1.00 0.00 H new ATOM 1267 N MET A 84 10.428 15.480 -25.602 1.00 0.00 N ATOM 1268 CA MET A 84 9.617 16.120 -26.643 1.00 0.00 C ATOM 1269 C MET A 84 10.490 17.109 -27.425 1.00 0.00 C ATOM 1270 O MET A 84 11.052 18.034 -26.837 1.00 0.00 O ATOM 1271 CB MET A 84 8.411 16.870 -26.011 1.00 0.00 C ATOM 1272 CG MET A 84 7.529 16.036 -25.079 1.00 0.00 C ATOM 1273 SD MET A 84 6.001 16.887 -24.605 1.00 0.00 S ATOM 1274 CE MET A 84 6.593 18.400 -23.834 1.00 0.00 C ATOM 0 H MET A 84 10.486 16.024 -24.741 1.00 0.00 H new ATOM 0 HA MET A 84 9.233 15.353 -27.316 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.790 17.726 -25.453 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.789 17.264 -26.815 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.278 15.096 -25.570 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.093 15.786 -24.181 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.971 18.635 -22.970 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.625 18.264 -23.512 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.541 19.219 -24.552 1.00 0.00 H new ATOM 1284 N ASN A 85 10.635 16.878 -28.734 1.00 0.00 N ATOM 1285 CA ASN A 85 11.341 17.794 -29.657 1.00 0.00 C ATOM 1286 C ASN A 85 10.340 18.330 -30.690 1.00 0.00 C ATOM 1287 O ASN A 85 9.357 17.638 -31.005 1.00 0.00 O ATOM 1288 CB ASN A 85 12.517 17.069 -30.370 1.00 0.00 C ATOM 1289 CG ASN A 85 13.588 16.550 -29.403 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.506 15.425 -28.918 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.599 17.363 -29.119 1.00 0.00 N ATOM 0 H ASN A 85 10.265 16.046 -29.193 1.00 0.00 H new ATOM 0 HA ASN A 85 11.760 18.622 -29.086 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.122 16.232 -30.946 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.980 17.755 -31.080 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.335 17.058 -28.482 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.639 18.292 -29.538 1.00 0.00 H new ATOM 1298 N SER A 86 10.604 19.557 -31.199 1.00 0.00 N ATOM 1299 CA SER A 86 9.731 20.250 -32.167 1.00 0.00 C ATOM 1300 C SER A 86 8.327 20.464 -31.555 1.00 0.00 C ATOM 1301 O SER A 86 7.358 19.792 -31.917 1.00 0.00 O ATOM 1302 CB SER A 86 9.686 19.482 -33.522 1.00 0.00 C ATOM 1303 OG SER A 86 8.876 20.130 -34.489 1.00 0.00 O ATOM 0 H SER A 86 11.434 20.094 -30.946 1.00 0.00 H new ATOM 0 HA SER A 86 10.144 21.235 -32.384 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.699 19.380 -33.911 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.307 18.474 -33.352 1.00 0.00 H new ATOM 0 HG SER A 86 8.881 19.611 -35.321 1.00 0.00 H new ATOM 1309 N LEU A 87 8.263 21.349 -30.546 1.00 0.00 N ATOM 1310 CA LEU A 87 7.029 21.620 -29.789 1.00 0.00 C ATOM 1311 C LEU A 87 6.178 22.721 -30.434 1.00 0.00 C ATOM 1312 O LEU A 87 6.679 23.566 -31.177 1.00 0.00 O ATOM 1313 CB LEU A 87 7.386 21.944 -28.316 1.00 0.00 C ATOM 1314 CG LEU A 87 7.803 20.702 -27.470 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.305 21.105 -26.073 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.631 19.690 -27.387 1.00 0.00 C ATOM 0 H LEU A 87 9.065 21.896 -30.232 1.00 0.00 H new ATOM 0 HA LEU A 87 6.409 20.723 -29.808 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.200 22.669 -28.302 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.528 22.420 -27.842 1.00 0.00 H new ATOM 0 HG LEU A 87 8.639 20.215 -27.973 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.586 20.211 -25.515 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.172 21.758 -26.172 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.513 21.632 -25.540 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.936 18.828 -26.794 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.771 20.167 -26.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.361 19.362 -28.391 1.00 0.00 H new ATOM 1328 N LYS A 88 4.877 22.675 -30.132 1.00 0.00 N ATOM 1329 CA LYS A 88 3.856 23.572 -30.691 1.00 0.00 C ATOM 1330 C LYS A 88 3.235 24.418 -29.563 1.00 0.00 C ATOM 1331 O LYS A 88 3.255 23.984 -28.412 1.00 0.00 O ATOM 1332 CB LYS A 88 2.765 22.702 -31.371 1.00 0.00 C ATOM 1333 CG LYS A 88 3.224 21.899 -32.605 1.00 0.00 C ATOM 1334 CD LYS A 88 3.468 22.787 -33.845 1.00 0.00 C ATOM 1335 CE LYS A 88 2.231 23.631 -34.225 1.00 0.00 C ATOM 1336 NZ LYS A 88 0.986 22.818 -34.301 1.00 0.00 N ATOM 0 H LYS A 88 4.493 21.996 -29.475 1.00 0.00 H new ATOM 0 HA LYS A 88 4.302 24.246 -31.422 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.370 22.004 -30.633 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.942 23.351 -31.668 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.142 21.363 -32.362 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.470 21.149 -32.845 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.311 23.451 -33.652 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.746 22.157 -34.690 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.098 24.425 -33.490 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.406 24.113 -35.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.282 23.315 -34.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.200 21.895 -34.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.605 22.676 -33.344 1.00 0.00 H new ATOM 1350 N PRO A 89 2.656 25.632 -29.859 1.00 0.00 N ATOM 1351 CA PRO A 89 2.019 26.494 -28.821 1.00 0.00 C ATOM 1352 C PRO A 89 0.819 25.803 -28.113 1.00 0.00 C ATOM 1353 O PRO A 89 0.463 26.161 -26.983 1.00 0.00 O ATOM 1354 CB PRO A 89 1.577 27.758 -29.617 1.00 0.00 C ATOM 1355 CG PRO A 89 1.500 27.310 -31.045 1.00 0.00 C ATOM 1356 CD PRO A 89 2.587 26.271 -31.203 1.00 0.00 C ATOM 0 HA PRO A 89 2.703 26.723 -28.004 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.613 28.128 -29.267 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.293 28.571 -29.496 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.520 26.890 -31.272 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.654 28.146 -31.727 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.340 25.547 -31.979 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.538 26.725 -31.481 1.00 0.00 H new ATOM 1364 N GLU A 90 0.221 24.798 -28.790 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.892 23.975 -28.249 1.00 0.00 C ATOM 1366 C GLU A 90 -0.435 23.083 -27.063 1.00 0.00 C ATOM 1367 O GLU A 90 -1.258 22.651 -26.246 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.482 23.090 -29.380 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.480 22.073 -29.954 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.999 21.304 -31.176 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -0.884 21.822 -32.312 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.510 20.178 -31.015 1.00 0.00 O ATOM 0 H GLU A 90 0.497 24.530 -29.735 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.655 24.655 -27.871 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.350 22.555 -28.995 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.836 23.733 -30.186 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.435 22.597 -30.230 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.216 21.359 -29.174 1.00 0.00 H new ATOM 1379 N ASP A 91 0.891 22.818 -26.981 1.00 0.00 N ATOM 1380 CA ASP A 91 1.514 22.030 -25.888 1.00 0.00 C ATOM 1381 C ASP A 91 1.692 22.876 -24.597 1.00 0.00 C ATOM 1382 O ASP A 91 2.487 22.526 -23.728 1.00 0.00 O ATOM 1383 CB ASP A 91 2.890 21.458 -26.350 1.00 0.00 C ATOM 1384 CG ASP A 91 2.806 20.427 -27.490 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.576 20.827 -28.646 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.972 19.211 -27.234 1.00 0.00 O ATOM 0 H ASP A 91 1.563 23.146 -27.675 1.00 0.00 H new ATOM 0 HA ASP A 91 0.842 21.204 -25.653 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.523 22.285 -26.672 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.382 20.995 -25.495 1.00 0.00 H new ATOM 1391 N THR A 92 0.979 24.011 -24.490 1.00 0.00 N ATOM 1392 CA THR A 92 0.799 24.719 -23.214 1.00 0.00 C ATOM 1393 C THR A 92 -0.315 24.013 -22.416 1.00 0.00 C ATOM 1394 O THR A 92 -1.513 24.263 -22.630 1.00 0.00 O ATOM 1395 CB THR A 92 0.469 26.229 -23.438 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.547 26.838 -24.166 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.245 26.994 -22.115 1.00 0.00 C ATOM 0 H THR A 92 0.515 24.459 -25.280 1.00 0.00 H new ATOM 0 HA THR A 92 1.730 24.688 -22.648 1.00 0.00 H new ATOM 0 HB THR A 92 -0.463 26.283 -24.001 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.394 26.730 -25.128 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.019 28.038 -22.332 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.589 26.548 -21.573 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.146 26.937 -21.505 1.00 0.00 H new ATOM 1405 N ALA A 93 0.103 23.089 -21.539 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.801 22.202 -20.788 1.00 0.00 C ATOM 1407 C ALA A 93 -0.061 21.583 -19.589 1.00 0.00 C ATOM 1408 O ALA A 93 1.096 21.901 -19.327 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.346 21.102 -21.731 1.00 0.00 C ATOM 0 H ALA A 93 1.089 22.934 -21.328 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.641 22.780 -20.403 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.015 20.445 -21.175 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.892 21.565 -22.553 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.515 20.520 -22.130 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.750 20.736 -18.829 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.131 19.897 -17.801 1.00 0.00 C ATOM 1417 C VAL A 94 0.055 18.472 -18.370 1.00 0.00 C ATOM 1418 O VAL A 94 -0.915 17.802 -18.747 1.00 0.00 O ATOM 1419 CB VAL A 94 -0.961 19.913 -16.447 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.402 19.361 -16.583 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.192 19.195 -15.325 1.00 0.00 C ATOM 0 H VAL A 94 -1.759 20.610 -18.908 1.00 0.00 H new ATOM 0 HA VAL A 94 0.849 20.299 -17.543 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.077 20.964 -16.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.902 19.406 -15.615 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.955 19.961 -17.305 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.365 18.326 -16.924 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.780 19.219 -14.408 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.011 18.159 -15.613 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.761 19.697 -15.158 1.00 0.00 H new ATOM 1431 N TYR A 95 1.326 18.054 -18.518 1.00 0.00 N ATOM 1432 CA TYR A 95 1.677 16.688 -18.926 1.00 0.00 C ATOM 1433 C TYR A 95 1.720 15.796 -17.678 1.00 0.00 C ATOM 1434 O TYR A 95 2.598 15.948 -16.824 1.00 0.00 O ATOM 1435 CB TYR A 95 3.027 16.651 -19.702 1.00 0.00 C ATOM 1436 CG TYR A 95 2.874 16.719 -21.237 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.524 17.902 -21.888 1.00 0.00 C ATOM 1438 CD2 TYR A 95 3.090 15.590 -22.035 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.402 17.962 -23.270 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.966 15.646 -23.409 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.625 16.829 -24.023 1.00 0.00 C ATOM 1442 OH TYR A 95 2.517 16.877 -25.392 1.00 0.00 O ATOM 0 H TYR A 95 2.134 18.655 -18.358 1.00 0.00 H new ATOM 0 HA TYR A 95 0.918 16.311 -19.612 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.646 17.485 -19.372 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.559 15.736 -19.441 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.344 18.792 -21.304 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.359 14.655 -21.566 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.134 18.891 -23.752 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.137 14.760 -24.002 1.00 0.00 H new ATOM 0 HH TYR A 95 2.721 17.783 -25.705 1.00 0.00 H new ATOM 1452 N LEU A 96 0.738 14.895 -17.577 1.00 0.00 N ATOM 1453 CA LEU A 96 0.601 13.975 -16.451 1.00 0.00 C ATOM 1454 C LEU A 96 0.788 12.529 -16.924 1.00 0.00 C ATOM 1455 O LEU A 96 0.438 12.181 -18.058 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.778 14.201 -15.745 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.083 14.048 -16.627 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.628 12.597 -16.656 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.183 15.048 -16.196 1.00 0.00 C ATOM 0 H LEU A 96 0.010 14.785 -18.283 1.00 0.00 H new ATOM 0 HA LEU A 96 1.380 14.173 -15.715 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.849 13.500 -14.914 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.777 15.203 -15.317 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.786 14.289 -17.648 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.523 12.557 -17.277 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.870 11.932 -17.069 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.875 12.281 -15.643 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.064 14.913 -16.824 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.449 14.869 -15.154 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.812 16.067 -16.306 1.00 0.00 H new ATOM 1471 N CYS A 97 1.376 11.712 -16.056 1.00 0.00 N ATOM 1472 CA CYS A 97 1.496 10.270 -16.260 1.00 0.00 C ATOM 1473 C CYS A 97 0.294 9.571 -15.612 1.00 0.00 C ATOM 1474 O CYS A 97 -0.354 10.128 -14.718 1.00 0.00 O ATOM 1475 CB CYS A 97 2.818 9.761 -15.660 1.00 0.00 C ATOM 1476 SG CYS A 97 4.270 10.546 -16.375 1.00 0.00 S ATOM 0 H CYS A 97 1.788 12.035 -15.181 1.00 0.00 H new ATOM 0 HA CYS A 97 1.503 10.046 -17.327 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.812 9.935 -14.584 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.886 8.683 -15.808 1.00 0.00 H new ATOM 0 HG CYS A 97 5.332 9.871 -16.050 1.00 0.00 H new ATOM 1482 N ALA A 98 0.000 8.355 -16.074 1.00 0.00 N ATOM 1483 CA ALA A 98 -1.089 7.539 -15.531 1.00 0.00 C ATOM 1484 C ALA A 98 -0.641 6.072 -15.495 1.00 0.00 C ATOM 1485 O ALA A 98 -0.413 5.469 -16.545 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.350 7.733 -16.383 1.00 0.00 C ATOM 0 H ALA A 98 0.510 7.907 -16.835 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.330 7.847 -14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.160 7.126 -15.978 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.642 8.783 -16.367 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.146 7.428 -17.409 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.537 5.503 -14.282 1.00 0.00 N ATOM 1493 CA ALA A 99 0.021 4.158 -14.062 1.00 0.00 C ATOM 1494 C ALA A 99 -1.065 3.197 -13.582 1.00 0.00 C ATOM 1495 O ALA A 99 -1.828 3.506 -12.666 1.00 0.00 O ATOM 1496 CB ALA A 99 1.165 4.206 -13.040 1.00 0.00 C ATOM 0 H ALA A 99 -0.839 5.965 -13.424 1.00 0.00 H new ATOM 0 HA ALA A 99 0.415 3.797 -15.012 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.563 3.202 -12.892 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.956 4.859 -13.409 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.790 4.591 -12.092 1.00 0.00 H new ATOM 1502 N GLY A 100 -1.103 2.036 -14.221 1.00 0.00 N ATOM 1503 CA GLY A 100 -2.006 0.959 -13.874 1.00 0.00 C ATOM 1504 C GLY A 100 -1.535 -0.341 -14.487 1.00 0.00 C ATOM 1505 O GLY A 100 -0.332 -0.513 -14.740 1.00 0.00 O ATOM 0 H GLY A 100 -0.494 1.817 -15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.063 0.858 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.011 1.191 -14.225 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.339 2.643 -16.353 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.478 3.460 -15.483 1.00 0.00 C ATOM 1654 C PRO A 110 -5.242 3.831 -14.190 1.00 0.00 C ATOM 1655 O PRO A 110 -6.049 4.766 -14.171 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.145 4.689 -16.359 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.318 4.825 -17.286 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.790 3.410 -17.557 1.00 0.00 C ATOM 0 HA PRO A 110 -3.572 2.957 -15.145 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.014 5.585 -15.752 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.218 4.541 -16.913 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.109 5.422 -16.832 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.031 5.326 -18.210 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.873 3.366 -17.676 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.352 3.011 -18.472 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.017 3.039 -13.131 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.755 3.158 -11.856 1.00 0.00 C ATOM 1668 C ASP A 111 -5.327 4.415 -11.080 1.00 0.00 C ATOM 1669 O ASP A 111 -6.110 4.998 -10.322 1.00 0.00 O ATOM 1670 CB ASP A 111 -5.523 1.885 -11.002 1.00 0.00 C ATOM 1671 CG ASP A 111 -6.427 1.816 -9.758 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -7.632 1.509 -9.914 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -5.943 2.058 -8.632 1.00 0.00 O ATOM 0 H ASP A 111 -4.318 2.296 -13.130 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.818 3.255 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.698 1.004 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.480 1.852 -10.687 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.075 4.823 -11.298 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.460 5.969 -10.622 1.00 0.00 C ATOM 1680 C TYR A 112 -3.059 7.002 -11.669 1.00 0.00 C ATOM 1681 O TYR A 112 -2.707 6.648 -12.799 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.212 5.518 -9.818 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.461 4.308 -8.906 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.941 4.461 -7.604 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.222 3.007 -9.362 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.158 3.366 -6.792 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.439 1.917 -8.553 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.907 2.096 -7.273 1.00 0.00 C ATOM 1689 OH TYR A 112 -3.109 0.996 -6.468 1.00 0.00 O ATOM 0 H TYR A 112 -3.450 4.360 -11.958 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.176 6.406 -9.926 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.411 5.275 -10.516 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.863 6.353 -9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.146 5.452 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.860 2.856 -10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.523 3.502 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.242 0.921 -8.923 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.885 0.182 -6.965 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.143 8.277 -11.295 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.665 9.397 -12.113 1.00 0.00 C ATOM 1701 C TRP A 113 -1.610 10.164 -11.311 1.00 0.00 C ATOM 1702 O TRP A 113 -1.548 10.056 -10.074 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.847 10.319 -12.532 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.838 9.653 -13.467 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.856 9.725 -14.836 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.946 8.809 -13.103 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.889 8.970 -15.335 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.573 8.404 -14.293 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.463 8.358 -11.883 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.687 7.567 -14.304 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.568 7.533 -11.891 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.172 7.142 -13.094 1.00 0.00 C ATOM 0 H TRP A 113 -3.549 8.568 -10.406 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.216 9.023 -13.033 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.372 10.651 -11.636 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.447 11.210 -13.016 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.159 10.293 -15.435 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.111 8.850 -16.323 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.004 8.651 -10.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.151 7.264 -15.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.975 7.182 -10.954 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.036 6.494 -13.067 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.779 10.926 -12.022 1.00 0.00 N ATOM 1724 CA GLY A 114 0.315 11.663 -11.409 1.00 0.00 C ATOM 1725 C GLY A 114 -0.092 13.030 -10.916 1.00 0.00 C ATOM 1726 O GLY A 114 -1.251 13.441 -11.075 1.00 0.00 O ATOM 0 H GLY A 114 -0.848 11.046 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.711 11.085 -10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.123 11.771 -12.133 1.00 0.00 H new ATOM 1730 N GLN A 115 0.870 13.745 -10.313 1.00 0.00 N ATOM 1731 CA GLN A 115 0.655 15.116 -9.812 1.00 0.00 C ATOM 1732 C GLN A 115 0.630 16.134 -10.969 1.00 0.00 C ATOM 1733 O GLN A 115 0.098 17.243 -10.819 1.00 0.00 O ATOM 1734 CB GLN A 115 1.711 15.472 -8.716 1.00 0.00 C ATOM 1735 CG GLN A 115 3.191 15.155 -9.050 1.00 0.00 C ATOM 1736 CD GLN A 115 3.891 16.163 -9.964 1.00 0.00 C ATOM 1737 OE1 GLN A 115 3.888 16.018 -11.180 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.509 17.179 -9.376 1.00 0.00 N ATOM 0 H GLN A 115 1.815 13.394 -10.158 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.325 15.166 -9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.631 16.537 -8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.446 14.940 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.750 15.089 -8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.237 14.172 -9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.491 17.268 -8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.003 17.871 -9.940 1.00 0.00 H new ATOM 1747 N GLY A 116 1.218 15.737 -12.116 1.00 0.00 N ATOM 1748 CA GLY A 116 1.200 16.533 -13.339 1.00 0.00 C ATOM 1749 C GLY A 116 2.252 17.635 -13.343 1.00 0.00 C ATOM 1750 O GLY A 116 2.282 18.468 -12.427 1.00 0.00 O ATOM 0 H GLY A 116 1.717 14.852 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.363 15.879 -14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.213 16.979 -13.462 1.00 0.00 H new ATOM 1754 N THR A 117 3.108 17.660 -14.377 1.00 0.00 N ATOM 1755 CA THR A 117 4.103 18.724 -14.559 1.00 0.00 C ATOM 1756 C THR A 117 3.568 19.741 -15.595 1.00 0.00 C ATOM 1757 O THR A 117 3.206 19.375 -16.722 1.00 0.00 O ATOM 1758 CB THR A 117 5.509 18.148 -14.969 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.486 19.201 -15.018 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.489 17.390 -16.314 1.00 0.00 C ATOM 0 H THR A 117 3.129 16.946 -15.106 1.00 0.00 H new ATOM 0 HA THR A 117 4.256 19.235 -13.609 1.00 0.00 H new ATOM 0 HB THR A 117 5.779 17.424 -14.201 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.117 19.097 -14.275 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.489 17.019 -16.537 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.797 16.551 -16.248 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.167 18.065 -17.107 1.00 0.00 H new ATOM 1768 N GLN A 118 3.445 21.009 -15.167 1.00 0.00 N ATOM 1769 CA GLN A 118 2.962 22.100 -16.023 1.00 0.00 C ATOM 1770 C GLN A 118 4.050 22.506 -17.018 1.00 0.00 C ATOM 1771 O GLN A 118 5.112 23.003 -16.630 1.00 0.00 O ATOM 1772 CB GLN A 118 2.505 23.321 -15.172 1.00 0.00 C ATOM 1773 CG GLN A 118 1.143 23.137 -14.458 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.111 23.431 -15.320 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -1.142 23.844 -14.792 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.054 23.239 -16.644 1.00 0.00 N ATOM 0 H GLN A 118 3.678 21.304 -14.219 1.00 0.00 H new ATOM 0 HA GLN A 118 2.095 21.744 -16.579 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.268 23.530 -14.422 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.446 24.196 -15.819 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.079 22.111 -14.095 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.121 23.787 -13.583 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.806 22.896 -17.073 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.870 23.436 -17.223 1.00 0.00 H new ATOM 1785 N VAL A 119 3.786 22.227 -18.295 1.00 0.00 N ATOM 1786 CA VAL A 119 4.611 22.674 -19.416 1.00 0.00 C ATOM 1787 C VAL A 119 3.899 23.862 -20.099 1.00 0.00 C ATOM 1788 O VAL A 119 2.662 23.917 -20.153 1.00 0.00 O ATOM 1789 CB VAL A 119 4.868 21.493 -20.438 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.481 20.262 -19.724 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.585 21.097 -21.197 1.00 0.00 C ATOM 0 H VAL A 119 2.979 21.674 -18.583 1.00 0.00 H new ATOM 0 HA VAL A 119 5.588 22.994 -19.053 1.00 0.00 H new ATOM 0 HB VAL A 119 5.585 21.858 -21.174 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.647 19.466 -20.450 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.431 20.541 -19.268 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.797 19.912 -18.951 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.807 20.283 -21.887 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.827 20.772 -20.485 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.213 21.956 -21.756 1.00 0.00 H new ATOM 1801 N THR A 120 4.662 24.840 -20.563 1.00 0.00 N ATOM 1802 CA THR A 120 4.124 25.976 -21.319 1.00 0.00 C ATOM 1803 C THR A 120 4.997 26.192 -22.539 1.00 0.00 C ATOM 1804 O THR A 120 6.102 26.707 -22.433 1.00 0.00 O ATOM 1805 CB THR A 120 4.064 27.272 -20.436 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.208 27.047 -19.302 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.564 28.510 -21.217 1.00 0.00 C ATOM 0 H THR A 120 5.673 24.875 -20.429 1.00 0.00 H new ATOM 0 HA THR A 120 3.102 25.757 -21.628 1.00 0.00 H new ATOM 0 HB THR A 120 5.083 27.483 -20.113 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.174 27.857 -18.752 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.544 29.375 -20.554 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.235 28.709 -22.052 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.560 28.320 -21.596 1.00 0.00 H new ATOM 1815 N VAL A 121 4.535 25.765 -23.707 1.00 0.00 N ATOM 1816 CA VAL A 121 5.242 26.068 -24.941 1.00 0.00 C ATOM 1817 C VAL A 121 4.697 27.395 -25.461 1.00 0.00 C ATOM 1818 O VAL A 121 3.640 27.445 -26.103 1.00 0.00 O ATOM 1819 CB VAL A 121 5.125 24.917 -25.985 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.967 25.226 -27.249 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.533 23.565 -25.343 1.00 0.00 C ATOM 0 H VAL A 121 3.684 25.215 -23.824 1.00 0.00 H new ATOM 0 HA VAL A 121 6.312 26.158 -24.752 1.00 0.00 H new ATOM 0 HB VAL A 121 4.085 24.839 -26.302 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.868 24.407 -27.961 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.612 26.150 -27.706 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.015 25.339 -26.970 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.447 22.770 -26.083 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.564 23.625 -24.993 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.876 23.349 -24.501 1.00 0.00 H new ATOM 1831 N SER A 122 5.410 28.478 -25.084 1.00 0.00 N ATOM 1832 CA SER A 122 5.097 29.852 -25.487 1.00 0.00 C ATOM 1833 C SER A 122 4.973 30.017 -27.017 1.00 0.00 C ATOM 1834 O SER A 122 5.670 29.351 -27.782 1.00 0.00 O ATOM 1835 CB SER A 122 6.178 30.805 -24.949 1.00 0.00 C ATOM 1836 OG SER A 122 5.863 32.145 -25.236 1.00 0.00 O ATOM 0 H SER A 122 6.231 28.413 -24.482 1.00 0.00 H new ATOM 0 HA SER A 122 4.124 30.098 -25.061 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.278 30.675 -23.871 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.142 30.553 -25.391 1.00 0.00 H new ATOM 0 HG SER A 122 6.565 32.729 -24.882 1.00 0.00 H new ATOM 1842 N SER A 123 4.091 30.941 -27.436 1.00 0.00 N ATOM 1843 CA SER A 123 3.876 31.292 -28.853 1.00 0.00 C ATOM 1844 C SER A 123 4.930 32.333 -29.313 1.00 0.00 C ATOM 1845 O SER A 123 4.584 33.415 -29.803 1.00 0.00 O ATOM 1846 CB SER A 123 2.430 31.831 -29.019 1.00 0.00 C ATOM 1847 OG SER A 123 1.467 30.871 -28.610 1.00 0.00 O ATOM 0 H SER A 123 3.501 31.471 -26.795 1.00 0.00 H new ATOM 0 HA SER A 123 3.996 30.410 -29.482 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.310 32.741 -28.432 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.258 32.099 -30.061 1.00 0.00 H new ATOM 0 HG SER A 123 0.567 31.241 -28.725 1.00 0.00 H new ATOM 1853 N LEU A 124 6.227 31.976 -29.128 1.00 0.00 N ATOM 1854 CA LEU A 124 7.398 32.861 -29.389 1.00 0.00 C ATOM 1855 C LEU A 124 7.359 34.153 -28.527 1.00 0.00 C ATOM 1856 O LEU A 124 8.060 35.126 -28.827 1.00 0.00 O ATOM 1857 CB LEU A 124 7.560 33.201 -30.916 1.00 0.00 C ATOM 1858 CG LEU A 124 8.016 32.042 -31.870 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.318 31.379 -31.378 1.00 0.00 C ATOM 1860 CD2 LEU A 124 6.893 31.012 -32.103 1.00 0.00 C ATOM 0 H LEU A 124 6.495 31.052 -28.788 1.00 0.00 H new ATOM 0 HA LEU A 124 8.280 32.295 -29.089 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.605 33.580 -31.280 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.281 34.014 -31.005 1.00 0.00 H new ATOM 0 HG LEU A 124 8.234 32.491 -32.839 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.602 30.581 -32.064 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.113 32.124 -31.338 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.161 30.963 -30.383 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.252 30.227 -32.769 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.599 30.573 -31.150 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.033 31.507 -32.555 1.00 0.00 H new