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 75 ASN : amide:sc= 0.018 X(o=-1.2,f=-1.2) USER MOD Set 1.2: A 78 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.2!) USER MOD Set 2.1: A 32 SER OG : rot 40:sc= -0.532 USER MOD Set 2.2: A 35 MET CE :methyl -153:sc= -1.44 (180deg=-2.57!) USER MOD Set 3.1: A 23 CYS SG : rot -164:sc= -3.98! USER MOD Set 3.2: A 97 CYS SG : rot 25:sc= 0.656 USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 22 SER OG : rot 45:sc= 0.0334 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.654 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0905 K(o=0.091,f=-3!) USER MOD Single : A 40 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -50:sc= -1.26! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 110:sc= 0.0127 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+ -171:sc= 0.579 (180deg=0.493) 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 77 LYS NZ :NH3+ 140:sc= 0.933 (180deg=-0.138) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0948 USER MOD Single : A 83 GLN : amide:sc= 0.582 K(o=0.58,f=-4.5!) USER MOD Single : A 84 MET CE :methyl -148:sc= -1.29 (180deg=-3.34!) USER MOD Single : A 85 ASN : amide:sc= -0.387 K(o=-0.39,f=-4!) USER MOD Single : A 86 SER OG : rot -54:sc= 0.209 USER MOD Single : A 88 LYS NZ :NH3+ 158:sc= -0.78 (180deg=-1.3) USER MOD Single : A 92 THR OG1 : rot 83:sc= 0.189 USER MOD Single : A 95 TYR OH : rot -38:sc= 1.22 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.044) USER MOD Single : A 117 THR OG1 : rot 160:sc= -0.247 USER MOD Single : A 118 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.63) 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= -0.103 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 1.061 2.766 -5.773 1.00 0.00 N ATOM 38 CA LEU A 3 1.987 3.169 -6.844 1.00 0.00 C ATOM 39 C LEU A 3 1.942 4.704 -6.947 1.00 0.00 C ATOM 40 O LEU A 3 0.940 5.282 -7.382 1.00 0.00 O ATOM 41 CB LEU A 3 1.612 2.479 -8.200 1.00 0.00 C ATOM 42 CG LEU A 3 2.727 2.395 -9.304 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.089 3.767 -9.905 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.983 1.669 -8.774 1.00 0.00 C ATOM 0 HA LEU A 3 3.003 2.848 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.279 1.465 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.759 3.010 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 3 2.306 1.806 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.864 3.640 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.204 4.208 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.455 4.424 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.737 1.626 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.382 2.211 -7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.717 0.656 -8.471 1.00 0.00 H new ATOM 56 N GLN A 4 3.046 5.335 -6.533 1.00 0.00 N ATOM 57 CA GLN A 4 3.210 6.793 -6.495 1.00 0.00 C ATOM 58 C GLN A 4 4.072 7.237 -7.679 1.00 0.00 C ATOM 59 O GLN A 4 5.011 6.531 -8.071 1.00 0.00 O ATOM 60 CB GLN A 4 3.884 7.202 -5.160 1.00 0.00 C ATOM 61 CG GLN A 4 3.199 6.618 -3.911 1.00 0.00 C ATOM 62 CD GLN A 4 3.894 6.998 -2.609 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.585 8.020 -2.001 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.841 6.183 -2.177 1.00 0.00 N ATOM 0 H GLN A 4 3.872 4.833 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 4 2.235 7.276 -6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.925 6.879 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.889 8.289 -5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.166 6.963 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.170 5.532 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.072 5.343 -2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.341 6.394 -1.313 1.00 0.00 H new ATOM 73 N LEU A 5 3.740 8.401 -8.247 1.00 0.00 N ATOM 74 CA LEU A 5 4.477 9.014 -9.360 1.00 0.00 C ATOM 75 C LEU A 5 4.771 10.489 -9.018 1.00 0.00 C ATOM 76 O LEU A 5 3.850 11.300 -8.881 1.00 0.00 O ATOM 77 CB LEU A 5 3.667 8.880 -10.681 1.00 0.00 C ATOM 78 CG LEU A 5 3.485 7.429 -11.240 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.536 7.415 -12.451 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.847 6.781 -11.596 1.00 0.00 C ATOM 0 H LEU A 5 2.939 8.954 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 5 5.425 8.498 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.679 9.311 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.158 9.482 -11.446 1.00 0.00 H new ATOM 0 HG LEU A 5 3.032 6.831 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.429 6.394 -12.818 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.560 7.798 -12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.946 8.043 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.682 5.775 -11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.348 7.382 -12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.470 6.730 -10.703 1.00 0.00 H new ATOM 92 N VAL A 6 6.065 10.809 -8.851 1.00 0.00 N ATOM 93 CA VAL A 6 6.545 12.165 -8.536 1.00 0.00 C ATOM 94 C VAL A 6 7.012 12.818 -9.841 1.00 0.00 C ATOM 95 O VAL A 6 8.085 12.497 -10.366 1.00 0.00 O ATOM 96 CB VAL A 6 7.721 12.136 -7.492 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.180 13.571 -7.118 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.318 11.323 -6.237 1.00 0.00 C ATOM 0 H VAL A 6 6.817 10.124 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 6 5.734 12.738 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 6 8.572 11.637 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.994 13.516 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.525 14.088 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.344 14.118 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.145 11.315 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.445 11.781 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.080 10.300 -6.527 1.00 0.00 H new ATOM 108 N GLU A 7 6.197 13.732 -10.351 1.00 0.00 N ATOM 109 CA GLU A 7 6.327 14.252 -11.712 1.00 0.00 C ATOM 110 C GLU A 7 6.924 15.668 -11.714 1.00 0.00 C ATOM 111 O GLU A 7 6.514 16.515 -10.915 1.00 0.00 O ATOM 112 CB GLU A 7 4.941 14.229 -12.372 1.00 0.00 C ATOM 113 CG GLU A 7 4.935 14.501 -13.880 1.00 0.00 C ATOM 114 CD GLU A 7 3.561 14.310 -14.530 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.487 14.344 -15.767 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.553 14.102 -13.806 1.00 0.00 O ATOM 0 H GLU A 7 5.420 14.139 -9.830 1.00 0.00 H new ATOM 0 HA GLU A 7 7.014 13.625 -12.280 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.486 13.255 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.310 14.971 -11.882 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.274 15.522 -14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.652 13.838 -14.364 1.00 0.00 H new ATOM 123 N SER A 8 7.883 15.907 -12.628 1.00 0.00 N ATOM 124 CA SER A 8 8.617 17.182 -12.743 1.00 0.00 C ATOM 125 C SER A 8 9.321 17.273 -14.118 1.00 0.00 C ATOM 126 O SER A 8 9.174 16.381 -14.969 1.00 0.00 O ATOM 127 CB SER A 8 9.634 17.304 -11.574 1.00 0.00 C ATOM 128 OG SER A 8 10.448 16.146 -11.481 1.00 0.00 O ATOM 0 H SER A 8 8.174 15.212 -13.316 1.00 0.00 H new ATOM 0 HA SER A 8 7.916 18.014 -12.676 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.262 18.182 -11.725 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.099 17.452 -10.636 1.00 0.00 H new ATOM 0 HG SER A 8 11.080 16.249 -10.739 1.00 0.00 H new ATOM 134 N GLY A 9 10.077 18.370 -14.335 1.00 0.00 N ATOM 135 CA GLY A 9 10.776 18.619 -15.604 1.00 0.00 C ATOM 136 C GLY A 9 10.004 19.563 -16.522 1.00 0.00 C ATOM 137 O GLY A 9 10.419 19.798 -17.661 1.00 0.00 O ATOM 0 H GLY A 9 10.217 19.101 -13.637 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.759 19.042 -15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.939 17.671 -16.117 1.00 0.00 H new ATOM 141 N GLY A 10 8.887 20.119 -16.017 1.00 0.00 N ATOM 142 CA GLY A 10 8.036 21.023 -16.796 1.00 0.00 C ATOM 143 C GLY A 10 8.498 22.471 -16.726 1.00 0.00 C ATOM 144 O GLY A 10 9.064 22.900 -15.711 1.00 0.00 O ATOM 0 H GLY A 10 8.556 19.953 -15.067 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.026 20.699 -17.837 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.011 20.955 -16.431 1.00 0.00 H new ATOM 148 N GLY A 11 8.267 23.209 -17.818 1.00 0.00 N ATOM 149 CA GLY A 11 8.650 24.616 -17.919 1.00 0.00 C ATOM 150 C GLY A 11 8.265 25.199 -19.263 1.00 0.00 C ATOM 151 O GLY A 11 7.604 24.530 -20.074 1.00 0.00 O ATOM 0 H GLY A 11 7.810 22.845 -18.654 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.168 25.184 -17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.726 24.713 -17.773 1.00 0.00 H new ATOM 155 N LEU A 12 8.681 26.446 -19.505 1.00 0.00 N ATOM 156 CA LEU A 12 8.407 27.140 -20.762 1.00 0.00 C ATOM 157 C LEU A 12 9.581 26.930 -21.723 1.00 0.00 C ATOM 158 O LEU A 12 10.742 27.128 -21.350 1.00 0.00 O ATOM 159 CB LEU A 12 8.135 28.652 -20.501 1.00 0.00 C ATOM 160 CG LEU A 12 7.509 29.503 -21.671 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.796 30.759 -21.122 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.559 29.912 -22.737 1.00 0.00 C ATOM 0 H LEU A 12 9.216 26.999 -18.835 1.00 0.00 H new ATOM 0 HA LEU A 12 7.509 26.727 -21.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.471 28.728 -19.640 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.079 29.117 -20.218 1.00 0.00 H new ATOM 0 HG LEU A 12 6.777 28.861 -22.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.373 31.328 -21.950 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.998 30.457 -20.444 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.514 31.379 -20.584 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.075 30.496 -23.520 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.340 30.511 -22.268 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.002 29.017 -23.174 1.00 0.00 H new ATOM 174 N VAL A 13 9.259 26.508 -22.954 1.00 0.00 N ATOM 175 CA VAL A 13 10.213 26.435 -24.075 1.00 0.00 C ATOM 176 C VAL A 13 9.612 27.163 -25.283 1.00 0.00 C ATOM 177 O VAL A 13 8.397 27.350 -25.362 1.00 0.00 O ATOM 178 CB VAL A 13 10.590 24.949 -24.457 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.354 24.245 -23.305 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.337 24.137 -24.867 1.00 0.00 C ATOM 0 H VAL A 13 8.318 26.204 -23.204 1.00 0.00 H new ATOM 0 HA VAL A 13 11.140 26.917 -23.764 1.00 0.00 H new ATOM 0 HB VAL A 13 11.255 24.994 -25.319 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.598 23.225 -23.601 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.273 24.791 -23.091 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.728 24.224 -22.413 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.631 23.119 -25.124 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.632 24.112 -24.036 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.865 24.607 -25.730 1.00 0.00 H new ATOM 190 N GLN A 14 10.475 27.603 -26.199 1.00 0.00 N ATOM 191 CA GLN A 14 10.055 28.251 -27.455 1.00 0.00 C ATOM 192 C GLN A 14 9.657 27.184 -28.502 1.00 0.00 C ATOM 193 O GLN A 14 10.188 26.058 -28.499 1.00 0.00 O ATOM 194 CB GLN A 14 11.164 29.209 -28.009 1.00 0.00 C ATOM 195 CG GLN A 14 12.459 28.549 -28.547 1.00 0.00 C ATOM 196 CD GLN A 14 13.282 27.824 -27.486 1.00 0.00 C ATOM 197 OE1 GLN A 14 14.127 28.424 -26.822 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.007 26.543 -27.285 1.00 0.00 N ATOM 0 H GLN A 14 11.487 27.523 -26.097 1.00 0.00 H new ATOM 0 HA GLN A 14 9.181 28.866 -27.243 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.728 29.804 -28.812 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.442 29.901 -27.214 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.193 27.840 -29.331 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.079 29.317 -29.009 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.300 26.078 -27.854 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.502 26.023 -26.561 1.00 0.00 H new ATOM 207 N ALA A 15 8.709 27.561 -29.380 1.00 0.00 N ATOM 208 CA ALA A 15 8.160 26.700 -30.442 1.00 0.00 C ATOM 209 C ALA A 15 9.240 26.310 -31.465 1.00 0.00 C ATOM 210 O ALA A 15 9.884 27.182 -32.058 1.00 0.00 O ATOM 211 CB ALA A 15 6.983 27.418 -31.119 1.00 0.00 C ATOM 0 H ALA A 15 8.295 28.493 -29.370 1.00 0.00 H new ATOM 0 HA ALA A 15 7.802 25.773 -29.995 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.574 26.784 -31.906 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.209 27.624 -30.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.330 28.356 -31.553 1.00 0.00 H new ATOM 217 N GLY A 16 9.424 24.993 -31.653 1.00 0.00 N ATOM 218 CA GLY A 16 10.508 24.430 -32.464 1.00 0.00 C ATOM 219 C GLY A 16 11.506 23.678 -31.594 1.00 0.00 C ATOM 220 O GLY A 16 12.176 22.743 -32.060 1.00 0.00 O ATOM 0 H GLY A 16 8.817 24.285 -31.241 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.094 23.756 -33.214 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.018 25.230 -33.001 1.00 0.00 H new ATOM 224 N GLY A 17 11.576 24.082 -30.308 1.00 0.00 N ATOM 225 CA GLY A 17 12.500 23.500 -29.335 1.00 0.00 C ATOM 226 C GLY A 17 12.038 22.162 -28.757 1.00 0.00 C ATOM 227 O GLY A 17 11.109 21.524 -29.277 1.00 0.00 O ATOM 0 H GLY A 17 10.989 24.822 -29.923 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.471 23.362 -29.810 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.642 24.207 -28.518 1.00 0.00 H new ATOM 231 N SER A 18 12.704 21.736 -27.677 1.00 0.00 N ATOM 232 CA SER A 18 12.454 20.452 -27.010 1.00 0.00 C ATOM 233 C SER A 18 12.401 20.641 -25.481 1.00 0.00 C ATOM 234 O SER A 18 12.908 21.641 -24.959 1.00 0.00 O ATOM 235 CB SER A 18 13.562 19.450 -27.406 1.00 0.00 C ATOM 236 OG SER A 18 14.852 19.970 -27.138 1.00 0.00 O ATOM 0 H SER A 18 13.443 22.282 -27.235 1.00 0.00 H new ATOM 0 HA SER A 18 11.489 20.057 -27.328 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.423 18.518 -26.859 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.477 19.213 -28.466 1.00 0.00 H new ATOM 0 HG SER A 18 15.530 19.312 -27.398 1.00 0.00 H new ATOM 242 N LEU A 19 11.788 19.668 -24.779 1.00 0.00 N ATOM 243 CA LEU A 19 11.694 19.658 -23.306 1.00 0.00 C ATOM 244 C LEU A 19 11.545 18.209 -22.819 1.00 0.00 C ATOM 245 O LEU A 19 10.721 17.456 -23.349 1.00 0.00 O ATOM 246 CB LEU A 19 10.497 20.521 -22.812 1.00 0.00 C ATOM 247 CG LEU A 19 10.325 20.646 -21.258 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.563 21.292 -20.591 1.00 0.00 C ATOM 249 CD2 LEU A 19 9.032 21.415 -20.903 1.00 0.00 C ATOM 0 H LEU A 19 11.342 18.863 -25.220 1.00 0.00 H new ATOM 0 HA LEU A 19 12.605 20.092 -22.893 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.604 21.524 -23.226 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.580 20.102 -23.225 1.00 0.00 H new ATOM 0 HG LEU A 19 10.237 19.636 -20.859 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.403 21.360 -19.515 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.443 20.681 -20.789 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.716 22.291 -20.999 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.937 21.487 -19.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.075 22.417 -21.331 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.170 20.884 -21.308 1.00 0.00 H new ATOM 261 N ARG A 20 12.357 17.825 -21.823 1.00 0.00 N ATOM 262 CA ARG A 20 12.325 16.478 -21.235 1.00 0.00 C ATOM 263 C ARG A 20 11.594 16.497 -19.885 1.00 0.00 C ATOM 264 O ARG A 20 11.916 17.293 -18.997 1.00 0.00 O ATOM 265 CB ARG A 20 13.758 15.920 -21.062 1.00 0.00 C ATOM 266 CG ARG A 20 13.830 14.504 -20.439 1.00 0.00 C ATOM 267 CD ARG A 20 15.273 13.985 -20.337 1.00 0.00 C ATOM 268 NE ARG A 20 15.911 13.898 -21.661 1.00 0.00 N ATOM 269 CZ ARG A 20 17.207 13.651 -21.889 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.072 13.510 -20.883 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.635 13.579 -23.140 1.00 0.00 N ATOM 0 H ARG A 20 13.054 18.440 -21.403 1.00 0.00 H new ATOM 0 HA ARG A 20 11.781 15.823 -21.916 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.245 15.898 -22.037 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.328 16.607 -20.436 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.382 14.523 -19.446 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.240 13.814 -21.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.854 14.647 -19.695 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.275 13.002 -19.866 1.00 0.00 H new ATOM 0 HE ARG A 20 15.314 14.038 -22.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.750 13.590 -19.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.055 13.322 -21.078 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.981 13.711 -23.911 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.619 13.392 -23.332 1.00 0.00 H new ATOM 285 N LEU A 21 10.601 15.612 -19.759 1.00 0.00 N ATOM 286 CA LEU A 21 9.859 15.370 -18.520 1.00 0.00 C ATOM 287 C LEU A 21 10.429 14.127 -17.825 1.00 0.00 C ATOM 288 O LEU A 21 11.044 13.265 -18.474 1.00 0.00 O ATOM 289 CB LEU A 21 8.342 15.178 -18.811 1.00 0.00 C ATOM 290 CG LEU A 21 7.569 16.393 -19.431 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.830 17.687 -18.652 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.882 16.571 -20.926 1.00 0.00 C ATOM 0 H LEU A 21 10.284 15.030 -20.535 1.00 0.00 H new ATOM 0 HA LEU A 21 9.967 16.236 -17.867 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.233 14.329 -19.486 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.851 14.907 -17.876 1.00 0.00 H new ATOM 0 HG LEU A 21 6.506 16.166 -19.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.277 18.506 -19.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.503 17.563 -17.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.896 17.914 -18.670 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.326 17.424 -21.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.950 16.745 -21.056 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.592 15.671 -21.468 1.00 0.00 H new ATOM 304 N SER A 22 10.203 14.038 -16.514 1.00 0.00 N ATOM 305 CA SER A 22 10.743 12.970 -15.673 1.00 0.00 C ATOM 306 C SER A 22 9.767 12.683 -14.524 1.00 0.00 C ATOM 307 O SER A 22 9.365 13.597 -13.796 1.00 0.00 O ATOM 308 CB SER A 22 12.133 13.391 -15.141 1.00 0.00 C ATOM 309 OG SER A 22 12.095 14.680 -14.544 1.00 0.00 O ATOM 0 H SER A 22 9.634 14.712 -16.001 1.00 0.00 H new ATOM 0 HA SER A 22 10.862 12.055 -16.254 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.480 12.661 -14.410 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.853 13.389 -15.960 1.00 0.00 H new ATOM 0 HG SER A 22 11.306 14.750 -13.967 1.00 0.00 H new ATOM 315 N CYS A 23 9.388 11.409 -14.376 1.00 0.00 N ATOM 316 CA CYS A 23 8.414 10.958 -13.376 1.00 0.00 C ATOM 317 C CYS A 23 9.019 9.798 -12.573 1.00 0.00 C ATOM 318 O CYS A 23 9.151 8.679 -13.080 1.00 0.00 O ATOM 319 CB CYS A 23 7.109 10.523 -14.070 1.00 0.00 C ATOM 320 SG CYS A 23 5.814 9.995 -12.935 1.00 0.00 S ATOM 0 H CYS A 23 9.754 10.653 -14.955 1.00 0.00 H new ATOM 0 HA CYS A 23 8.178 11.775 -12.695 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.735 11.353 -14.670 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.330 9.706 -14.757 1.00 0.00 H new ATOM 0 HG CYS A 23 4.907 9.333 -13.590 1.00 0.00 H new ATOM 326 N VAL A 24 9.403 10.085 -11.325 1.00 0.00 N ATOM 327 CA VAL A 24 10.075 9.126 -10.445 1.00 0.00 C ATOM 328 C VAL A 24 9.017 8.250 -9.743 1.00 0.00 C ATOM 329 O VAL A 24 8.169 8.758 -9.004 1.00 0.00 O ATOM 330 CB VAL A 24 10.947 9.878 -9.378 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.782 8.892 -8.535 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.856 10.951 -10.039 1.00 0.00 C ATOM 0 H VAL A 24 9.254 10.998 -10.894 1.00 0.00 H new ATOM 0 HA VAL A 24 10.733 8.494 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 24 10.260 10.393 -8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.374 9.447 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.116 8.204 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.447 8.327 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.445 11.452 -9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.524 10.471 -10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.237 11.684 -10.556 1.00 0.00 H new ATOM 342 N ALA A 25 9.098 6.930 -9.953 1.00 0.00 N ATOM 343 CA ALA A 25 8.080 5.986 -9.488 1.00 0.00 C ATOM 344 C ALA A 25 8.383 5.515 -8.054 1.00 0.00 C ATOM 345 O ALA A 25 9.269 4.680 -7.844 1.00 0.00 O ATOM 346 CB ALA A 25 8.004 4.791 -10.457 1.00 0.00 C ATOM 0 H ALA A 25 9.872 6.489 -10.450 1.00 0.00 H new ATOM 0 HA ALA A 25 7.112 6.488 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.246 4.089 -10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.740 5.147 -11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.972 4.291 -10.495 1.00 0.00 H new ATOM 352 N SER A 26 7.658 6.125 -7.084 1.00 0.00 N ATOM 353 CA SER A 26 7.683 5.769 -5.644 1.00 0.00 C ATOM 354 C SER A 26 9.117 5.792 -5.061 1.00 0.00 C ATOM 355 O SER A 26 9.476 4.981 -4.191 1.00 0.00 O ATOM 356 CB SER A 26 6.990 4.397 -5.440 1.00 0.00 C ATOM 357 OG SER A 26 5.735 4.346 -6.095 1.00 0.00 O ATOM 0 H SER A 26 7.024 6.898 -7.287 1.00 0.00 H new ATOM 0 HA SER A 26 7.128 6.525 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.633 3.603 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.853 4.212 -4.375 1.00 0.00 H new ATOM 0 HG SER A 26 5.325 3.468 -5.949 1.00 0.00 H new ATOM 363 N GLY A 27 9.923 6.761 -5.531 1.00 0.00 N ATOM 364 CA GLY A 27 11.329 6.876 -5.143 1.00 0.00 C ATOM 365 C GLY A 27 12.230 6.027 -6.024 1.00 0.00 C ATOM 366 O GLY A 27 13.022 6.557 -6.804 1.00 0.00 O ATOM 0 H GLY A 27 9.615 7.479 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.639 7.919 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.445 6.570 -4.103 1.00 0.00 H new ATOM 370 N ARG A 28 12.100 4.701 -5.892 1.00 0.00 N ATOM 371 CA ARG A 28 12.788 3.724 -6.746 1.00 0.00 C ATOM 372 C ARG A 28 12.113 2.354 -6.552 1.00 0.00 C ATOM 373 O ARG A 28 12.695 1.404 -6.024 1.00 0.00 O ATOM 374 CB ARG A 28 14.324 3.692 -6.451 1.00 0.00 C ATOM 375 CG ARG A 28 15.140 2.832 -7.442 1.00 0.00 C ATOM 376 CD ARG A 28 16.656 3.065 -7.352 1.00 0.00 C ATOM 377 NE ARG A 28 17.242 2.631 -6.070 1.00 0.00 N ATOM 378 CZ ARG A 28 18.447 3.016 -5.614 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.118 4.002 -6.200 1.00 0.00 N ATOM 380 NH2 ARG A 28 18.952 2.453 -4.534 1.00 0.00 N ATOM 0 H ARG A 28 11.508 4.271 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 28 12.700 4.011 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.708 4.712 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.481 3.311 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.931 1.779 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.807 3.047 -8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.147 2.531 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.862 4.126 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 28 16.696 1.995 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.720 4.479 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.031 4.281 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.429 1.726 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.866 2.744 -4.187 1.00 0.00 H new ATOM 394 N THR A 29 10.830 2.297 -6.942 1.00 0.00 N ATOM 395 CA THR A 29 9.973 1.112 -6.779 1.00 0.00 C ATOM 396 C THR A 29 9.110 0.897 -8.048 1.00 0.00 C ATOM 397 O THR A 29 8.707 1.859 -8.709 1.00 0.00 O ATOM 398 CB THR A 29 9.059 1.262 -5.509 1.00 0.00 C ATOM 399 OG1 THR A 29 9.865 1.441 -4.335 1.00 0.00 O ATOM 400 CG2 THR A 29 8.139 0.052 -5.287 1.00 0.00 C ATOM 0 H THR A 29 10.353 3.082 -7.385 1.00 0.00 H new ATOM 0 HA THR A 29 10.610 0.239 -6.639 1.00 0.00 H new ATOM 0 HB THR A 29 8.432 2.136 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.285 1.535 -3.551 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.533 0.214 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.487 -0.073 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.744 -0.845 -5.156 1.00 0.00 H new ATOM 408 N PHE A 30 8.850 -0.380 -8.366 1.00 0.00 N ATOM 409 CA PHE A 30 8.055 -0.811 -9.530 1.00 0.00 C ATOM 410 C PHE A 30 6.979 -1.808 -9.062 1.00 0.00 C ATOM 411 O PHE A 30 7.241 -2.622 -8.170 1.00 0.00 O ATOM 412 CB PHE A 30 8.994 -1.456 -10.596 1.00 0.00 C ATOM 413 CG PHE A 30 9.872 -2.601 -10.058 1.00 0.00 C ATOM 414 CD1 PHE A 30 11.082 -2.337 -9.404 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.484 -3.937 -10.198 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.862 -3.366 -8.909 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.271 -4.962 -9.701 1.00 0.00 C ATOM 418 CZ PHE A 30 11.457 -4.676 -9.058 1.00 0.00 C ATOM 0 H PHE A 30 9.194 -1.162 -7.809 1.00 0.00 H new ATOM 0 HA PHE A 30 7.561 0.046 -9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.386 -1.835 -11.417 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.640 -0.682 -11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.411 -1.315 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.558 -4.173 -10.701 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.791 -3.143 -8.404 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.955 -5.988 -9.817 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.069 -5.478 -8.671 1.00 0.00 H new ATOM 428 N ARG A 31 5.773 -1.718 -9.655 1.00 0.00 N ATOM 429 CA ARG A 31 4.649 -2.652 -9.393 1.00 0.00 C ATOM 430 C ARG A 31 3.691 -2.663 -10.591 1.00 0.00 C ATOM 431 O ARG A 31 3.324 -3.737 -11.088 1.00 0.00 O ATOM 432 CB ARG A 31 3.884 -2.307 -8.063 1.00 0.00 C ATOM 433 CG ARG A 31 4.412 -3.054 -6.816 1.00 0.00 C ATOM 434 CD ARG A 31 3.774 -2.571 -5.504 1.00 0.00 C ATOM 435 NE ARG A 31 4.242 -3.341 -4.335 1.00 0.00 N ATOM 436 CZ ARG A 31 5.461 -3.257 -3.781 1.00 0.00 C ATOM 437 NH1 ARG A 31 6.404 -2.488 -4.305 1.00 0.00 N ATOM 438 NH2 ARG A 31 5.732 -3.966 -2.704 1.00 0.00 N ATOM 0 H ARG A 31 5.545 -0.992 -10.334 1.00 0.00 H new ATOM 0 HA ARG A 31 5.069 -3.649 -9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.952 -1.234 -7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.828 -2.542 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.223 -4.121 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.493 -2.927 -6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.005 -1.516 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.690 -2.652 -5.579 1.00 0.00 H new ATOM 0 HE ARG A 31 3.582 -3.993 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.210 -1.945 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.324 -2.439 -3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.018 -4.572 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.656 -3.909 -2.275 1.00 0.00 H new ATOM 452 N SER A 32 3.271 -1.467 -11.040 1.00 0.00 N ATOM 453 CA SER A 32 2.376 -1.333 -12.198 1.00 0.00 C ATOM 454 C SER A 32 3.150 -1.617 -13.502 1.00 0.00 C ATOM 455 O SER A 32 4.145 -0.938 -13.814 1.00 0.00 O ATOM 456 CB SER A 32 1.739 0.073 -12.223 1.00 0.00 C ATOM 457 OG SER A 32 2.724 1.088 -12.299 1.00 0.00 O ATOM 0 H SER A 32 3.539 -0.579 -10.616 1.00 0.00 H new ATOM 0 HA SER A 32 1.572 -2.065 -12.113 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.066 0.153 -13.076 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.136 0.216 -11.326 1.00 0.00 H new ATOM 0 HG SER A 32 3.435 0.808 -12.912 1.00 0.00 H new ATOM 463 N ASN A 33 2.700 -2.648 -14.242 1.00 0.00 N ATOM 464 CA ASN A 33 3.274 -3.026 -15.547 1.00 0.00 C ATOM 465 C ASN A 33 2.768 -2.093 -16.665 1.00 0.00 C ATOM 466 O ASN A 33 3.163 -2.233 -17.819 1.00 0.00 O ATOM 467 CB ASN A 33 2.958 -4.516 -15.872 1.00 0.00 C ATOM 468 CG ASN A 33 1.460 -4.836 -16.047 1.00 0.00 C ATOM 469 OD1 ASN A 33 0.588 -4.195 -15.450 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.162 -5.856 -16.847 1.00 0.00 N ATOM 0 H ASN A 33 1.925 -3.244 -13.950 1.00 0.00 H new ATOM 0 HA ASN A 33 4.357 -2.914 -15.489 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.483 -4.793 -16.786 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.357 -5.140 -15.073 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.189 -6.130 -16.983 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.906 -6.364 -17.325 1.00 0.00 H new ATOM 477 N ALA A 34 1.873 -1.161 -16.312 1.00 0.00 N ATOM 478 CA ALA A 34 1.438 -0.083 -17.203 1.00 0.00 C ATOM 479 C ALA A 34 1.818 1.276 -16.581 1.00 0.00 C ATOM 480 O ALA A 34 1.451 1.557 -15.441 1.00 0.00 O ATOM 481 CB ALA A 34 -0.078 -0.187 -17.439 1.00 0.00 C ATOM 0 H ALA A 34 1.429 -1.136 -15.394 1.00 0.00 H new ATOM 0 HA ALA A 34 1.936 -0.170 -18.169 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.399 0.616 -18.102 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.310 -1.149 -17.896 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.601 -0.102 -16.487 1.00 0.00 H new ATOM 487 N MET A 35 2.612 2.075 -17.318 1.00 0.00 N ATOM 488 CA MET A 35 2.944 3.478 -16.967 1.00 0.00 C ATOM 489 C MET A 35 3.013 4.268 -18.277 1.00 0.00 C ATOM 490 O MET A 35 3.810 3.928 -19.149 1.00 0.00 O ATOM 491 CB MET A 35 4.314 3.591 -16.213 1.00 0.00 C ATOM 492 CG MET A 35 4.346 3.009 -14.791 1.00 0.00 C ATOM 493 SD MET A 35 5.968 3.192 -14.008 1.00 0.00 S ATOM 494 CE MET A 35 5.704 2.410 -12.415 1.00 0.00 C ATOM 0 H MET A 35 3.049 1.765 -18.186 1.00 0.00 H new ATOM 0 HA MET A 35 2.180 3.871 -16.296 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.077 3.089 -16.808 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.592 4.644 -16.161 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.592 3.507 -14.180 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.080 1.953 -14.827 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.385 2.841 -11.681 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.675 2.574 -12.095 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.892 1.340 -12.500 1.00 0.00 H new ATOM 504 N GLY A 36 2.186 5.308 -18.411 1.00 0.00 N ATOM 505 CA GLY A 36 2.130 6.114 -19.628 1.00 0.00 C ATOM 506 C GLY A 36 1.965 7.593 -19.360 1.00 0.00 C ATOM 507 O GLY A 36 1.801 8.012 -18.214 1.00 0.00 O ATOM 0 H GLY A 36 1.541 5.612 -17.682 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.043 5.956 -20.202 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.301 5.769 -20.246 1.00 0.00 H new ATOM 511 N TRP A 37 2.031 8.385 -20.438 1.00 0.00 N ATOM 512 CA TRP A 37 1.866 9.843 -20.393 1.00 0.00 C ATOM 513 C TRP A 37 0.551 10.235 -21.076 1.00 0.00 C ATOM 514 O TRP A 37 0.209 9.726 -22.152 1.00 0.00 O ATOM 515 CB TRP A 37 3.063 10.554 -21.081 1.00 0.00 C ATOM 516 CG TRP A 37 4.389 10.304 -20.397 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.234 9.250 -20.601 1.00 0.00 C ATOM 518 CD2 TRP A 37 5.005 11.116 -19.382 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.344 9.378 -19.816 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.224 10.501 -19.046 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.652 12.310 -18.737 1.00 0.00 C ATOM 522 CZ2 TRP A 37 7.087 11.028 -18.091 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.512 12.831 -17.786 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.718 12.191 -17.472 1.00 0.00 C ATOM 0 H TRP A 37 2.203 8.026 -21.377 1.00 0.00 H new ATOM 0 HA TRP A 37 1.837 10.160 -19.351 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.128 10.218 -22.116 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.873 11.627 -21.105 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.051 8.434 -21.284 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.137 8.737 -19.806 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.727 12.813 -18.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.017 10.536 -17.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.249 13.747 -17.277 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.369 12.624 -16.727 1.00 0.00 H new ATOM 535 N PHE A 38 -0.186 11.109 -20.400 1.00 0.00 N ATOM 536 CA PHE A 38 -1.386 11.781 -20.912 1.00 0.00 C ATOM 537 C PHE A 38 -1.113 13.299 -20.888 1.00 0.00 C ATOM 538 O PHE A 38 -0.084 13.742 -20.356 1.00 0.00 O ATOM 539 CB PHE A 38 -2.636 11.442 -20.045 1.00 0.00 C ATOM 540 CG PHE A 38 -3.053 9.968 -20.034 1.00 0.00 C ATOM 541 CD1 PHE A 38 -4.220 9.545 -20.676 1.00 0.00 C ATOM 542 CD2 PHE A 38 -2.290 9.010 -19.368 1.00 0.00 C ATOM 543 CE1 PHE A 38 -4.600 8.216 -20.656 1.00 0.00 C ATOM 544 CE2 PHE A 38 -2.669 7.681 -19.353 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.825 7.284 -19.992 1.00 0.00 C ATOM 0 H PHE A 38 0.040 11.383 -19.444 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.598 11.441 -21.926 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.440 11.753 -19.019 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.477 12.036 -20.403 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.834 10.266 -21.195 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.388 9.311 -18.856 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.503 7.906 -21.160 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.059 6.952 -18.840 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.124 6.246 -19.974 1.00 0.00 H new ATOM 555 N ARG A 39 -2.021 14.088 -21.472 1.00 0.00 N ATOM 556 CA ARG A 39 -1.926 15.557 -21.458 1.00 0.00 C ATOM 557 C ARG A 39 -3.315 16.181 -21.331 1.00 0.00 C ATOM 558 O ARG A 39 -4.221 15.870 -22.098 1.00 0.00 O ATOM 559 CB ARG A 39 -1.202 16.090 -22.719 1.00 0.00 C ATOM 560 CG ARG A 39 -1.886 15.808 -24.080 1.00 0.00 C ATOM 561 CD ARG A 39 -1.093 16.421 -25.233 1.00 0.00 C ATOM 562 NE ARG A 39 -1.694 16.194 -26.551 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.152 16.637 -27.705 1.00 0.00 C ATOM 564 NH1 ARG A 39 0.049 17.220 -27.710 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.805 16.481 -28.848 1.00 0.00 N ATOM 0 H ARG A 39 -2.839 13.732 -21.966 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.333 15.845 -20.590 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.083 17.168 -22.614 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.201 15.660 -22.745 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.977 14.732 -24.229 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.897 16.215 -24.073 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.999 17.494 -25.067 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.084 16.008 -25.228 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.570 15.673 -26.598 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.564 17.334 -26.837 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.451 17.552 -28.587 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.718 16.026 -28.856 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.395 16.816 -29.720 1.00 0.00 H new ATOM 579 N GLN A 40 -3.458 17.065 -20.362 1.00 0.00 N ATOM 580 CA GLN A 40 -4.706 17.774 -20.080 1.00 0.00 C ATOM 581 C GLN A 40 -4.486 19.233 -20.487 1.00 0.00 C ATOM 582 O GLN A 40 -3.496 19.840 -20.096 1.00 0.00 O ATOM 583 CB GLN A 40 -5.050 17.605 -18.563 1.00 0.00 C ATOM 584 CG GLN A 40 -6.533 17.818 -18.185 1.00 0.00 C ATOM 585 CD GLN A 40 -7.016 19.267 -18.233 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.252 20.203 -17.978 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.279 19.465 -18.575 1.00 0.00 N ATOM 0 H GLN A 40 -2.698 17.320 -19.732 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.555 17.380 -20.638 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.755 16.603 -18.252 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.444 18.308 -17.991 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.152 17.223 -18.857 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.694 17.432 -17.179 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.883 18.669 -18.779 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.649 20.414 -18.634 1.00 0.00 H new ATOM 596 N ALA A 41 -5.405 19.786 -21.274 1.00 0.00 N ATOM 597 CA ALA A 41 -5.274 21.145 -21.829 1.00 0.00 C ATOM 598 C ALA A 41 -6.176 22.124 -21.042 1.00 0.00 C ATOM 599 O ALA A 41 -7.110 21.667 -20.377 1.00 0.00 O ATOM 600 CB ALA A 41 -5.609 21.106 -23.331 1.00 0.00 C ATOM 0 H ALA A 41 -6.264 19.311 -21.549 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.251 21.506 -21.725 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.515 22.107 -23.751 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.919 20.433 -23.840 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.630 20.750 -23.467 1.00 0.00 H new ATOM 606 N PRO A 42 -5.888 23.478 -21.065 1.00 0.00 N ATOM 607 CA PRO A 42 -6.712 24.490 -20.347 1.00 0.00 C ATOM 608 C PRO A 42 -8.230 24.358 -20.630 1.00 0.00 C ATOM 609 O PRO A 42 -8.728 24.810 -21.669 1.00 0.00 O ATOM 610 CB PRO A 42 -6.145 25.840 -20.861 1.00 0.00 C ATOM 611 CG PRO A 42 -4.720 25.529 -21.203 1.00 0.00 C ATOM 612 CD PRO A 42 -4.727 24.122 -21.755 1.00 0.00 C ATOM 0 HA PRO A 42 -6.646 24.376 -19.265 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.695 26.198 -21.731 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.212 26.617 -20.099 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.331 26.235 -21.937 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.082 25.600 -20.322 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.851 24.117 -22.838 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.794 23.602 -21.539 1.00 0.00 H new ATOM 620 N GLY A 43 -8.936 23.663 -19.716 1.00 0.00 N ATOM 621 CA GLY A 43 -10.383 23.451 -19.818 1.00 0.00 C ATOM 622 C GLY A 43 -10.780 22.291 -20.726 1.00 0.00 C ATOM 623 O GLY A 43 -11.942 21.881 -20.734 1.00 0.00 O ATOM 0 H GLY A 43 -8.515 23.236 -18.891 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.784 23.271 -18.821 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.848 24.364 -20.189 1.00 0.00 H new ATOM 627 N LYS A 44 -9.813 21.763 -21.499 1.00 0.00 N ATOM 628 CA LYS A 44 -10.050 20.685 -22.477 1.00 0.00 C ATOM 629 C LYS A 44 -9.545 19.355 -21.905 1.00 0.00 C ATOM 630 O LYS A 44 -8.451 19.300 -21.333 1.00 0.00 O ATOM 631 CB LYS A 44 -9.348 21.015 -23.820 1.00 0.00 C ATOM 632 CG LYS A 44 -9.598 22.443 -24.398 1.00 0.00 C ATOM 633 CD LYS A 44 -10.964 22.648 -25.121 1.00 0.00 C ATOM 634 CE LYS A 44 -12.187 22.660 -24.184 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.433 23.048 -24.880 1.00 0.00 N ATOM 0 H LYS A 44 -8.842 22.073 -21.463 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.119 20.598 -22.670 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.274 20.883 -23.686 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.669 20.284 -24.562 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.527 23.163 -23.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.797 22.677 -25.100 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.933 23.590 -25.669 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.094 21.855 -25.857 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.313 21.670 -23.745 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.004 23.352 -23.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.224 23.040 -24.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.326 24.003 -25.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.626 22.374 -25.648 1.00 0.00 H new ATOM 649 N GLU A 45 -10.335 18.293 -22.107 1.00 0.00 N ATOM 650 CA GLU A 45 -10.120 16.972 -21.478 1.00 0.00 C ATOM 651 C GLU A 45 -8.741 16.348 -21.797 1.00 0.00 C ATOM 652 O GLU A 45 -8.154 16.599 -22.864 1.00 0.00 O ATOM 653 CB GLU A 45 -11.249 16.001 -21.893 1.00 0.00 C ATOM 654 CG GLU A 45 -12.657 16.452 -21.448 1.00 0.00 C ATOM 655 CD GLU A 45 -13.761 15.472 -21.864 1.00 0.00 C ATOM 656 OE1 GLU A 45 -14.042 14.521 -21.103 1.00 0.00 O ATOM 657 OE2 GLU A 45 -14.344 15.639 -22.956 1.00 0.00 O ATOM 0 H GLU A 45 -11.152 18.321 -22.717 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.139 17.137 -20.401 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.239 15.890 -22.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.043 15.018 -21.470 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.670 16.566 -20.364 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.870 17.432 -21.874 1.00 0.00 H new ATOM 664 N ARG A 46 -8.242 15.547 -20.832 1.00 0.00 N ATOM 665 CA ARG A 46 -6.984 14.774 -20.954 1.00 0.00 C ATOM 666 C ARG A 46 -6.984 13.845 -22.190 1.00 0.00 C ATOM 667 O ARG A 46 -8.022 13.298 -22.578 1.00 0.00 O ATOM 668 CB ARG A 46 -6.674 13.953 -19.661 1.00 0.00 C ATOM 669 CG ARG A 46 -7.646 12.787 -19.322 1.00 0.00 C ATOM 670 CD ARG A 46 -9.041 13.255 -18.872 1.00 0.00 C ATOM 671 NE ARG A 46 -9.924 12.129 -18.512 1.00 0.00 N ATOM 672 CZ ARG A 46 -10.670 12.050 -17.397 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.596 12.986 -16.452 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.475 11.016 -17.220 1.00 0.00 N ATOM 0 H ARG A 46 -8.707 15.416 -19.933 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.191 15.510 -21.088 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.669 13.542 -19.752 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.661 14.641 -18.816 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.752 12.148 -20.199 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.206 12.176 -18.534 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.939 13.921 -18.015 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.503 13.834 -19.672 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.972 11.346 -19.163 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.965 13.779 -16.568 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.170 12.909 -15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.527 10.283 -17.928 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.043 10.951 -16.376 1.00 0.00 H new ATOM 688 N GLU A 47 -5.794 13.672 -22.781 1.00 0.00 N ATOM 689 CA GLU A 47 -5.595 12.934 -24.028 1.00 0.00 C ATOM 690 C GLU A 47 -4.363 12.021 -23.905 1.00 0.00 C ATOM 691 O GLU A 47 -3.309 12.464 -23.450 1.00 0.00 O ATOM 692 CB GLU A 47 -5.415 13.947 -25.190 1.00 0.00 C ATOM 693 CG GLU A 47 -5.146 13.314 -26.566 1.00 0.00 C ATOM 694 CD GLU A 47 -5.121 14.351 -27.697 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.202 14.685 -28.230 1.00 0.00 O ATOM 696 OE2 GLU A 47 -4.032 14.846 -28.050 1.00 0.00 O ATOM 0 H GLU A 47 -4.929 14.050 -22.395 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.463 12.307 -24.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.312 14.562 -25.259 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.589 14.615 -24.946 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.192 12.787 -26.540 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.915 12.570 -26.776 1.00 0.00 H new ATOM 703 N PHE A 48 -4.518 10.758 -24.327 1.00 0.00 N ATOM 704 CA PHE A 48 -3.453 9.748 -24.300 1.00 0.00 C ATOM 705 C PHE A 48 -2.335 10.106 -25.297 1.00 0.00 C ATOM 706 O PHE A 48 -2.567 10.152 -26.512 1.00 0.00 O ATOM 707 CB PHE A 48 -4.068 8.357 -24.623 1.00 0.00 C ATOM 708 CG PHE A 48 -3.076 7.196 -24.628 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.666 6.601 -23.438 1.00 0.00 C ATOM 710 CD2 PHE A 48 -2.569 6.687 -25.827 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.786 5.542 -23.442 1.00 0.00 C ATOM 712 CE2 PHE A 48 -1.686 5.630 -25.830 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.296 5.056 -24.638 1.00 0.00 C ATOM 0 H PHE A 48 -5.399 10.406 -24.702 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.004 9.719 -23.307 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.849 8.144 -23.893 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.549 8.408 -25.600 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.044 6.976 -22.498 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.874 7.129 -26.764 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.479 5.091 -22.510 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.299 5.251 -26.765 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.606 4.225 -24.640 1.00 0.00 H new ATOM 723 N VAL A 49 -1.134 10.376 -24.759 1.00 0.00 N ATOM 724 CA VAL A 49 0.069 10.658 -25.561 1.00 0.00 C ATOM 725 C VAL A 49 0.763 9.334 -25.925 1.00 0.00 C ATOM 726 O VAL A 49 0.967 9.034 -27.108 1.00 0.00 O ATOM 727 CB VAL A 49 1.085 11.592 -24.795 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.341 11.920 -25.652 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.393 12.884 -24.310 1.00 0.00 C ATOM 0 H VAL A 49 -0.969 10.405 -23.753 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.247 11.182 -26.463 1.00 0.00 H new ATOM 0 HB VAL A 49 1.429 11.040 -23.921 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.011 12.565 -25.084 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.858 10.995 -25.908 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.035 12.430 -26.566 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.116 13.509 -23.786 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.003 13.428 -25.167 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.423 12.628 -23.634 1.00 0.00 H new ATOM 739 N ALA A 50 1.081 8.532 -24.881 1.00 0.00 N ATOM 740 CA ALA A 50 1.931 7.336 -25.017 1.00 0.00 C ATOM 741 C ALA A 50 1.881 6.445 -23.764 1.00 0.00 C ATOM 742 O ALA A 50 1.271 6.822 -22.759 1.00 0.00 O ATOM 743 CB ALA A 50 3.370 7.771 -25.307 1.00 0.00 C ATOM 0 H ALA A 50 0.755 8.699 -23.929 1.00 0.00 H new ATOM 0 HA ALA A 50 1.549 6.739 -25.846 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.003 6.890 -25.408 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.397 8.346 -26.233 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.736 8.388 -24.486 1.00 0.00 H new ATOM 749 N ALA A 51 2.531 5.254 -23.842 1.00 0.00 N ATOM 750 CA ALA A 51 2.630 4.319 -22.705 1.00 0.00 C ATOM 751 C ALA A 51 3.765 3.288 -22.886 1.00 0.00 C ATOM 752 O ALA A 51 4.250 3.022 -24.002 1.00 0.00 O ATOM 753 CB ALA A 51 1.286 3.604 -22.441 1.00 0.00 C ATOM 0 H ALA A 51 2.994 4.923 -24.688 1.00 0.00 H new ATOM 0 HA ALA A 51 2.876 4.924 -21.832 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.396 2.923 -21.597 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.519 4.344 -22.213 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.994 3.040 -23.327 1.00 0.00 H new ATOM 759 N ILE A 52 4.174 2.735 -21.733 1.00 0.00 N ATOM 760 CA ILE A 52 5.175 1.674 -21.606 1.00 0.00 C ATOM 761 C ILE A 52 4.465 0.459 -20.985 1.00 0.00 C ATOM 762 O ILE A 52 3.961 0.552 -19.855 1.00 0.00 O ATOM 763 CB ILE A 52 6.408 2.095 -20.681 1.00 0.00 C ATOM 764 CG1 ILE A 52 7.164 3.375 -21.217 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.397 0.906 -20.506 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.495 4.710 -20.929 1.00 0.00 C ATOM 0 H ILE A 52 3.799 3.029 -20.831 1.00 0.00 H new ATOM 0 HA ILE A 52 5.586 1.456 -22.592 1.00 0.00 H new ATOM 0 HB ILE A 52 5.994 2.358 -19.707 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.164 3.391 -20.784 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.285 3.276 -22.296 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.229 1.215 -19.873 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.879 0.067 -20.041 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.777 0.602 -21.481 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.100 5.517 -21.342 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.506 4.728 -21.387 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.398 4.844 -19.852 1.00 0.00 H new ATOM 778 N ARG A 53 4.384 -0.660 -21.730 1.00 0.00 N ATOM 779 CA ARG A 53 3.850 -1.926 -21.193 1.00 0.00 C ATOM 780 C ARG A 53 5.013 -2.772 -20.677 1.00 0.00 C ATOM 781 O ARG A 53 5.609 -3.547 -21.436 1.00 0.00 O ATOM 782 CB ARG A 53 3.028 -2.703 -22.262 1.00 0.00 C ATOM 783 CG ARG A 53 1.856 -1.910 -22.856 1.00 0.00 C ATOM 784 CD ARG A 53 0.864 -1.407 -21.794 1.00 0.00 C ATOM 785 NE ARG A 53 -0.209 -0.598 -22.398 1.00 0.00 N ATOM 786 CZ ARG A 53 -0.872 0.393 -21.782 1.00 0.00 C ATOM 787 NH1 ARG A 53 -0.526 0.793 -20.560 1.00 0.00 N ATOM 788 NH2 ARG A 53 -1.884 0.991 -22.398 1.00 0.00 N ATOM 0 H ARG A 53 4.681 -0.713 -22.704 1.00 0.00 H new ATOM 0 HA ARG A 53 3.167 -1.702 -20.374 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.696 -3.002 -23.070 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.642 -3.618 -21.812 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.247 -1.057 -23.411 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.325 -2.539 -23.570 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.429 -2.258 -21.269 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.395 -0.812 -21.051 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.469 -0.808 -23.362 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.253 0.345 -20.078 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.040 1.548 -20.106 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.155 0.697 -23.336 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.390 1.745 -21.933 1.00 0.00 H new ATOM 851 N SER A 58 7.588 -0.143 -25.011 1.00 0.00 N ATOM 852 CA SER A 58 7.802 1.222 -24.486 1.00 0.00 C ATOM 853 C SER A 58 7.426 2.306 -25.525 1.00 0.00 C ATOM 854 O SER A 58 8.092 3.342 -25.626 1.00 0.00 O ATOM 855 CB SER A 58 9.280 1.357 -23.998 1.00 0.00 C ATOM 856 OG SER A 58 9.508 2.588 -23.343 1.00 0.00 O ATOM 0 HA SER A 58 7.138 1.385 -23.637 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.515 0.536 -23.320 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.953 1.269 -24.851 1.00 0.00 H new ATOM 0 HG SER A 58 9.172 3.322 -23.899 1.00 0.00 H new ATOM 862 N THR A 59 6.308 2.091 -26.256 1.00 0.00 N ATOM 863 CA THR A 59 5.938 2.924 -27.430 1.00 0.00 C ATOM 864 C THR A 59 4.427 2.830 -27.721 1.00 0.00 C ATOM 865 O THR A 59 3.890 1.735 -27.898 1.00 0.00 O ATOM 866 CB THR A 59 6.744 2.533 -28.737 1.00 0.00 C ATOM 867 OG1 THR A 59 6.856 1.104 -28.830 1.00 0.00 O ATOM 868 CG2 THR A 59 8.148 3.169 -28.799 1.00 0.00 C ATOM 0 H THR A 59 5.642 1.345 -26.054 1.00 0.00 H new ATOM 0 HA THR A 59 6.201 3.948 -27.166 1.00 0.00 H new ATOM 0 HB THR A 59 6.181 2.927 -29.583 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.353 0.867 -29.640 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.647 2.861 -29.718 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.057 4.255 -28.782 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.734 2.841 -27.941 1.00 0.00 H new ATOM 876 N TYR A 60 3.770 4.004 -27.744 1.00 0.00 N ATOM 877 CA TYR A 60 2.408 4.216 -28.270 1.00 0.00 C ATOM 878 C TYR A 60 2.362 5.655 -28.784 1.00 0.00 C ATOM 879 O TYR A 60 2.479 6.583 -27.997 1.00 0.00 O ATOM 880 CB TYR A 60 1.301 4.033 -27.187 1.00 0.00 C ATOM 881 CG TYR A 60 1.007 2.586 -26.767 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.112 1.788 -27.489 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.595 2.031 -25.635 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.172 0.495 -27.094 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.320 0.743 -25.241 1.00 0.00 C ATOM 886 CZ TYR A 60 0.433 -0.021 -25.967 1.00 0.00 C ATOM 887 OH TYR A 60 0.148 -1.307 -25.560 1.00 0.00 O ATOM 0 H TYR A 60 4.187 4.862 -27.384 1.00 0.00 H new ATOM 0 HA TYR A 60 2.209 3.477 -29.046 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.591 4.597 -26.300 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.378 4.477 -27.560 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.365 2.190 -28.371 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.283 2.626 -25.052 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.863 -0.108 -27.664 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.798 0.331 -24.365 1.00 0.00 H new ATOM 0 HH TYR A 60 0.931 -1.878 -25.708 1.00 0.00 H new ATOM 897 N TYR A 61 2.226 5.839 -30.094 1.00 0.00 N ATOM 898 CA TYR A 61 2.207 7.179 -30.713 1.00 0.00 C ATOM 899 C TYR A 61 1.654 7.109 -32.138 1.00 0.00 C ATOM 900 O TYR A 61 1.876 6.133 -32.851 1.00 0.00 O ATOM 901 CB TYR A 61 3.626 7.874 -30.675 1.00 0.00 C ATOM 902 CG TYR A 61 4.878 7.016 -31.012 1.00 0.00 C ATOM 903 CD1 TYR A 61 4.819 5.825 -31.751 1.00 0.00 C ATOM 904 CD2 TYR A 61 6.143 7.431 -30.581 1.00 0.00 C ATOM 905 CE1 TYR A 61 5.959 5.091 -32.039 1.00 0.00 C ATOM 906 CE2 TYR A 61 7.285 6.703 -30.869 1.00 0.00 C ATOM 907 CZ TYR A 61 7.193 5.532 -31.595 1.00 0.00 C ATOM 908 OH TYR A 61 8.337 4.803 -31.878 1.00 0.00 O ATOM 0 H TYR A 61 2.126 5.074 -30.761 1.00 0.00 H new ATOM 0 HA TYR A 61 1.539 7.804 -30.120 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.603 8.714 -31.369 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.766 8.288 -29.677 1.00 0.00 H new ATOM 0 HD1 TYR A 61 3.862 5.471 -32.104 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.231 8.343 -30.009 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.884 4.177 -32.609 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.248 7.051 -30.526 1.00 0.00 H new ATOM 0 HH TYR A 61 9.117 5.255 -31.493 1.00 0.00 H new ATOM 918 N ALA A 62 0.894 8.146 -32.522 1.00 0.00 N ATOM 919 CA ALA A 62 0.491 8.374 -33.918 1.00 0.00 C ATOM 920 C ALA A 62 1.688 8.944 -34.703 1.00 0.00 C ATOM 921 O ALA A 62 2.600 9.507 -34.097 1.00 0.00 O ATOM 922 CB ALA A 62 -0.713 9.331 -33.968 1.00 0.00 C ATOM 0 H ALA A 62 0.542 8.850 -31.873 1.00 0.00 H new ATOM 0 HA ALA A 62 0.189 7.432 -34.376 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.005 9.494 -35.005 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.548 8.894 -33.421 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.440 10.283 -33.514 1.00 0.00 H new ATOM 928 N ASP A 63 1.669 8.816 -36.040 1.00 0.00 N ATOM 929 CA ASP A 63 2.770 9.302 -36.919 1.00 0.00 C ATOM 930 C ASP A 63 2.959 10.833 -36.783 1.00 0.00 C ATOM 931 O ASP A 63 4.070 11.353 -36.956 1.00 0.00 O ATOM 932 CB ASP A 63 2.475 8.912 -38.390 1.00 0.00 C ATOM 933 CG ASP A 63 3.580 9.329 -39.390 1.00 0.00 C ATOM 934 OD1 ASP A 63 4.637 8.661 -39.448 1.00 0.00 O ATOM 935 OD2 ASP A 63 3.391 10.314 -40.140 1.00 0.00 O ATOM 0 H ASP A 63 0.901 8.378 -36.548 1.00 0.00 H new ATOM 0 HA ASP A 63 3.700 8.828 -36.606 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.337 7.832 -38.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.534 9.370 -38.694 1.00 0.00 H new ATOM 940 N SER A 64 1.856 11.531 -36.443 1.00 0.00 N ATOM 941 CA SER A 64 1.839 12.988 -36.228 1.00 0.00 C ATOM 942 C SER A 64 2.679 13.405 -34.993 1.00 0.00 C ATOM 943 O SER A 64 3.286 14.485 -34.979 1.00 0.00 O ATOM 944 CB SER A 64 0.378 13.459 -36.060 1.00 0.00 C ATOM 945 OG SER A 64 -0.425 13.053 -37.162 1.00 0.00 O ATOM 0 H SER A 64 0.945 11.093 -36.309 1.00 0.00 H new ATOM 0 HA SER A 64 2.290 13.464 -37.099 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.034 13.051 -35.137 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.352 14.545 -35.968 1.00 0.00 H new ATOM 0 HG SER A 64 -1.345 13.363 -37.028 1.00 0.00 H new ATOM 951 N VAL A 65 2.703 12.543 -33.956 1.00 0.00 N ATOM 952 CA VAL A 65 3.429 12.811 -32.692 1.00 0.00 C ATOM 953 C VAL A 65 4.681 11.910 -32.543 1.00 0.00 C ATOM 954 O VAL A 65 5.453 12.079 -31.595 1.00 0.00 O ATOM 955 CB VAL A 65 2.487 12.649 -31.438 1.00 0.00 C ATOM 956 CG1 VAL A 65 1.323 13.675 -31.470 1.00 0.00 C ATOM 957 CG2 VAL A 65 1.954 11.202 -31.306 1.00 0.00 C ATOM 0 H VAL A 65 2.222 11.644 -33.968 1.00 0.00 H new ATOM 0 HA VAL A 65 3.764 13.847 -32.738 1.00 0.00 H new ATOM 0 HB VAL A 65 3.089 12.856 -30.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.692 13.537 -30.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.729 14.686 -31.469 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.729 13.523 -32.371 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.309 11.130 -30.430 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.385 10.941 -32.198 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.792 10.514 -31.196 1.00 0.00 H new ATOM 967 N LYS A 66 4.864 10.961 -33.484 1.00 0.00 N ATOM 968 CA LYS A 66 6.041 10.066 -33.511 1.00 0.00 C ATOM 969 C LYS A 66 7.283 10.850 -33.950 1.00 0.00 C ATOM 970 O LYS A 66 7.224 11.625 -34.910 1.00 0.00 O ATOM 971 CB LYS A 66 5.792 8.863 -34.468 1.00 0.00 C ATOM 972 CG LYS A 66 7.015 7.938 -34.700 1.00 0.00 C ATOM 973 CD LYS A 66 6.672 6.670 -35.521 1.00 0.00 C ATOM 974 CE LYS A 66 6.008 6.987 -36.875 1.00 0.00 C ATOM 975 NZ LYS A 66 6.863 7.822 -37.756 1.00 0.00 N ATOM 0 H LYS A 66 4.204 10.793 -34.243 1.00 0.00 H new ATOM 0 HA LYS A 66 6.207 9.675 -32.507 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.975 8.264 -34.067 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.461 9.249 -35.432 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.794 8.499 -35.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.425 7.639 -33.735 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.584 6.100 -35.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.006 6.035 -34.936 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.772 6.053 -37.385 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.064 7.502 -36.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.313 8.130 -38.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.194 8.656 -37.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.682 7.265 -38.073 1.00 0.00 H new ATOM 989 N GLY A 67 8.392 10.664 -33.217 1.00 0.00 N ATOM 990 CA GLY A 67 9.631 11.417 -33.442 1.00 0.00 C ATOM 991 C GLY A 67 9.696 12.677 -32.592 1.00 0.00 C ATOM 992 O GLY A 67 10.784 13.124 -32.211 1.00 0.00 O ATOM 0 H GLY A 67 8.453 9.989 -32.455 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.487 10.782 -33.215 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.705 11.686 -34.496 1.00 0.00 H new ATOM 996 N ARG A 68 8.517 13.239 -32.287 1.00 0.00 N ATOM 997 CA ARG A 68 8.381 14.382 -31.390 1.00 0.00 C ATOM 998 C ARG A 68 8.432 13.889 -29.940 1.00 0.00 C ATOM 999 O ARG A 68 9.383 14.156 -29.202 1.00 0.00 O ATOM 1000 CB ARG A 68 7.040 15.110 -31.650 1.00 0.00 C ATOM 1001 CG ARG A 68 6.905 15.783 -33.023 1.00 0.00 C ATOM 1002 CD ARG A 68 5.572 16.542 -33.149 1.00 0.00 C ATOM 1003 NE ARG A 68 5.337 17.421 -31.984 1.00 0.00 N ATOM 1004 CZ ARG A 68 4.228 18.136 -31.754 1.00 0.00 C ATOM 1005 NH1 ARG A 68 3.194 18.091 -32.592 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.158 18.876 -30.662 1.00 0.00 N ATOM 0 H ARG A 68 7.629 12.906 -32.662 1.00 0.00 H new ATOM 0 HA ARG A 68 9.197 15.082 -31.570 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.229 14.391 -31.537 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.904 15.868 -30.879 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.734 16.474 -33.174 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.971 15.029 -33.807 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.577 17.139 -34.061 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.753 15.828 -33.239 1.00 0.00 H new ATOM 0 HE ARG A 68 6.085 17.489 -31.294 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.238 17.505 -33.426 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.358 18.643 -32.400 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.941 18.897 -30.009 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.321 19.427 -30.472 1.00 0.00 H new ATOM 1020 N PHE A 69 7.397 13.131 -29.572 1.00 0.00 N ATOM 1021 CA PHE A 69 7.214 12.598 -28.226 1.00 0.00 C ATOM 1022 C PHE A 69 7.851 11.200 -28.156 1.00 0.00 C ATOM 1023 O PHE A 69 7.478 10.299 -28.911 1.00 0.00 O ATOM 1024 CB PHE A 69 5.696 12.565 -27.908 1.00 0.00 C ATOM 1025 CG PHE A 69 5.044 13.952 -27.901 1.00 0.00 C ATOM 1026 CD1 PHE A 69 4.496 14.495 -29.064 1.00 0.00 C ATOM 1027 CD2 PHE A 69 4.992 14.716 -26.742 1.00 0.00 C ATOM 1028 CE1 PHE A 69 3.923 15.750 -29.067 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.415 15.973 -26.747 1.00 0.00 C ATOM 1030 CZ PHE A 69 3.882 16.490 -27.908 1.00 0.00 C ATOM 0 H PHE A 69 6.650 12.867 -30.215 1.00 0.00 H new ATOM 0 HA PHE A 69 7.701 13.225 -27.480 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.192 11.939 -28.644 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.546 12.097 -26.935 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.521 13.922 -29.979 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.407 14.324 -25.826 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.507 16.151 -29.979 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.382 16.552 -25.836 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.434 17.473 -27.908 1.00 0.00 H new ATOM 1040 N THR A 70 8.821 11.050 -27.252 1.00 0.00 N ATOM 1041 CA THR A 70 9.598 9.821 -27.071 1.00 0.00 C ATOM 1042 C THR A 70 9.488 9.397 -25.604 1.00 0.00 C ATOM 1043 O THR A 70 9.741 10.202 -24.709 1.00 0.00 O ATOM 1044 CB THR A 70 11.099 10.058 -27.464 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.155 10.614 -28.790 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.930 8.760 -27.407 1.00 0.00 C ATOM 0 H THR A 70 9.095 11.795 -26.611 1.00 0.00 H new ATOM 0 HA THR A 70 9.207 9.034 -27.716 1.00 0.00 H new ATOM 0 HB THR A 70 11.531 10.750 -26.741 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.090 10.766 -29.042 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.961 8.976 -27.687 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.906 8.357 -26.395 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.511 8.029 -28.099 1.00 0.00 H new ATOM 1054 N ILE A 71 9.100 8.139 -25.360 1.00 0.00 N ATOM 1055 CA ILE A 71 8.833 7.626 -24.001 1.00 0.00 C ATOM 1056 C ILE A 71 9.669 6.378 -23.727 1.00 0.00 C ATOM 1057 O ILE A 71 9.881 5.549 -24.622 1.00 0.00 O ATOM 1058 CB ILE A 71 7.304 7.319 -23.736 1.00 0.00 C ATOM 1059 CG1 ILE A 71 6.724 6.175 -24.644 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.466 8.601 -23.864 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.621 6.475 -26.136 1.00 0.00 C ATOM 0 H ILE A 71 8.961 7.445 -26.095 1.00 0.00 H new ATOM 0 HA ILE A 71 9.119 8.422 -23.314 1.00 0.00 H new ATOM 0 HB ILE A 71 7.239 6.948 -22.713 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.347 5.290 -24.516 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.729 5.920 -24.278 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.417 8.370 -23.678 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.810 9.335 -23.136 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.575 9.008 -24.869 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.207 5.609 -26.653 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.970 7.335 -26.290 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.612 6.695 -26.532 1.00 0.00 H new ATOM 1073 N SER A 72 10.169 6.284 -22.493 1.00 0.00 N ATOM 1074 CA SER A 72 10.927 5.126 -22.012 1.00 0.00 C ATOM 1075 C SER A 72 10.981 5.147 -20.481 1.00 0.00 C ATOM 1076 O SER A 72 10.817 6.203 -19.860 1.00 0.00 O ATOM 1077 CB SER A 72 12.350 5.106 -22.631 1.00 0.00 C ATOM 1078 OG SER A 72 13.110 3.982 -22.197 1.00 0.00 O ATOM 0 H SER A 72 10.058 7.017 -21.792 1.00 0.00 H new ATOM 0 HA SER A 72 10.424 4.211 -22.327 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.271 5.091 -23.718 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.874 6.023 -22.362 1.00 0.00 H new ATOM 0 HG SER A 72 13.998 4.008 -22.612 1.00 0.00 H new ATOM 1084 N ARG A 73 11.217 3.975 -19.881 1.00 0.00 N ATOM 1085 CA ARG A 73 11.286 3.808 -18.423 1.00 0.00 C ATOM 1086 C ARG A 73 12.513 2.963 -18.066 1.00 0.00 C ATOM 1087 O ARG A 73 12.675 1.856 -18.587 1.00 0.00 O ATOM 1088 CB ARG A 73 9.989 3.137 -17.898 1.00 0.00 C ATOM 1089 CG ARG A 73 9.940 2.957 -16.360 1.00 0.00 C ATOM 1090 CD ARG A 73 8.645 2.278 -15.875 1.00 0.00 C ATOM 1091 NE ARG A 73 8.531 0.874 -16.329 1.00 0.00 N ATOM 1092 CZ ARG A 73 7.632 -0.019 -15.872 1.00 0.00 C ATOM 1093 NH1 ARG A 73 6.686 0.333 -15.008 1.00 0.00 N ATOM 1094 NH2 ARG A 73 7.683 -1.267 -16.292 1.00 0.00 N ATOM 0 H ARG A 73 11.367 3.108 -20.397 1.00 0.00 H new ATOM 0 HA ARG A 73 11.378 4.786 -17.950 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.133 3.736 -18.209 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.883 2.160 -18.370 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.797 2.363 -16.042 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.033 3.932 -15.882 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.610 2.307 -14.786 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.786 2.843 -16.237 1.00 0.00 H new ATOM 0 HE ARG A 73 9.185 0.557 -17.045 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.630 1.296 -14.677 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.016 -0.360 -14.675 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.400 -1.552 -16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.005 -1.948 -15.950 1.00 0.00 H new ATOM 1108 N ASP A 74 13.378 3.504 -17.191 1.00 0.00 N ATOM 1109 CA ASP A 74 14.566 2.793 -16.685 1.00 0.00 C ATOM 1110 C ASP A 74 14.289 2.306 -15.257 1.00 0.00 C ATOM 1111 O ASP A 74 14.004 3.124 -14.382 1.00 0.00 O ATOM 1112 CB ASP A 74 15.816 3.714 -16.685 1.00 0.00 C ATOM 1113 CG ASP A 74 16.063 4.425 -18.026 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.349 3.748 -19.032 1.00 0.00 O ATOM 1115 OD2 ASP A 74 15.995 5.677 -18.072 1.00 0.00 O ATOM 0 H ASP A 74 13.274 4.446 -16.814 1.00 0.00 H new ATOM 0 HA ASP A 74 14.769 1.947 -17.341 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.703 4.464 -15.902 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.694 3.119 -16.433 1.00 0.00 H new ATOM 1120 N ASN A 75 14.394 0.986 -15.029 1.00 0.00 N ATOM 1121 CA ASN A 75 14.160 0.364 -13.706 1.00 0.00 C ATOM 1122 C ASN A 75 15.377 0.596 -12.766 1.00 0.00 C ATOM 1123 O ASN A 75 15.291 0.352 -11.557 1.00 0.00 O ATOM 1124 CB ASN A 75 13.870 -1.156 -13.892 1.00 0.00 C ATOM 1125 CG ASN A 75 13.250 -1.819 -12.654 1.00 0.00 C ATOM 1126 OD1 ASN A 75 12.031 -1.862 -12.514 1.00 0.00 O ATOM 1127 ND2 ASN A 75 14.076 -2.332 -11.754 1.00 0.00 N ATOM 0 H ASN A 75 14.644 0.315 -15.756 1.00 0.00 H new ATOM 0 HA ASN A 75 13.294 0.830 -13.237 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.198 -1.288 -14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.800 -1.667 -14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.704 -2.779 -10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.084 -2.280 -11.899 1.00 0.00 H new ATOM 1134 N ALA A 76 16.503 1.067 -13.361 1.00 0.00 N ATOM 1135 CA ALA A 76 17.755 1.401 -12.646 1.00 0.00 C ATOM 1136 C ALA A 76 17.505 2.371 -11.478 1.00 0.00 C ATOM 1137 O ALA A 76 17.972 2.150 -10.357 1.00 0.00 O ATOM 1138 CB ALA A 76 18.769 2.009 -13.635 1.00 0.00 C ATOM 0 H ALA A 76 16.564 1.227 -14.367 1.00 0.00 H new ATOM 0 HA ALA A 76 18.159 0.480 -12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.690 2.254 -13.107 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.984 1.289 -14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.351 2.915 -14.074 1.00 0.00 H new ATOM 1144 N LYS A 77 16.762 3.452 -11.769 1.00 0.00 N ATOM 1145 CA LYS A 77 16.330 4.436 -10.755 1.00 0.00 C ATOM 1146 C LYS A 77 14.792 4.513 -10.675 1.00 0.00 C ATOM 1147 O LYS A 77 14.256 5.255 -9.849 1.00 0.00 O ATOM 1148 CB LYS A 77 16.948 5.846 -11.006 1.00 0.00 C ATOM 1149 CG LYS A 77 16.553 6.543 -12.332 1.00 0.00 C ATOM 1150 CD LYS A 77 17.342 6.033 -13.562 1.00 0.00 C ATOM 1151 CE LYS A 77 16.945 6.763 -14.854 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.822 6.409 -16.001 1.00 0.00 N ATOM 0 H LYS A 77 16.443 3.671 -12.713 1.00 0.00 H new ATOM 0 HA LYS A 77 16.704 4.087 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.663 6.497 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.034 5.753 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.488 6.394 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.712 7.616 -12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.410 6.165 -13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.169 4.964 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.912 6.520 -15.102 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.988 7.839 -14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.246 6.312 -16.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.530 7.158 -16.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.304 5.509 -15.804 1.00 0.00 H new ATOM 1166 N ASN A 78 14.105 3.703 -11.511 1.00 0.00 N ATOM 1167 CA ASN A 78 12.634 3.705 -11.654 1.00 0.00 C ATOM 1168 C ASN A 78 12.118 5.119 -11.955 1.00 0.00 C ATOM 1169 O ASN A 78 11.515 5.777 -11.107 1.00 0.00 O ATOM 1170 CB ASN A 78 11.915 3.067 -10.436 1.00 0.00 C ATOM 1171 CG ASN A 78 12.256 1.590 -10.252 1.00 0.00 C ATOM 1172 OD1 ASN A 78 13.188 1.239 -9.543 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.512 0.714 -10.906 1.00 0.00 N ATOM 0 H ASN A 78 14.565 3.020 -12.113 1.00 0.00 H new ATOM 0 HA ASN A 78 12.390 3.072 -12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.187 3.613 -9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.837 3.173 -10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.710 -0.283 -10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.740 1.036 -11.491 1.00 0.00 H new ATOM 1180 N THR A 79 12.454 5.607 -13.152 1.00 0.00 N ATOM 1181 CA THR A 79 12.023 6.922 -13.635 1.00 0.00 C ATOM 1182 C THR A 79 11.593 6.812 -15.106 1.00 0.00 C ATOM 1183 O THR A 79 12.288 6.198 -15.929 1.00 0.00 O ATOM 1184 CB THR A 79 13.155 7.996 -13.467 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.560 8.056 -12.084 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.709 9.402 -13.921 1.00 0.00 C ATOM 0 H THR A 79 13.036 5.098 -13.817 1.00 0.00 H new ATOM 0 HA THR A 79 11.175 7.250 -13.034 1.00 0.00 H new ATOM 0 HB THR A 79 13.986 7.690 -14.102 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.268 8.725 -11.979 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.530 10.106 -13.783 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.429 9.373 -14.974 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.853 9.722 -13.327 1.00 0.00 H new ATOM 1194 N VAL A 80 10.439 7.412 -15.413 1.00 0.00 N ATOM 1195 CA VAL A 80 9.854 7.425 -16.754 1.00 0.00 C ATOM 1196 C VAL A 80 10.137 8.800 -17.379 1.00 0.00 C ATOM 1197 O VAL A 80 9.845 9.824 -16.763 1.00 0.00 O ATOM 1198 CB VAL A 80 8.293 7.185 -16.707 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.731 6.864 -18.111 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.908 6.084 -15.687 1.00 0.00 C ATOM 0 H VAL A 80 9.877 7.911 -14.723 1.00 0.00 H new ATOM 0 HA VAL A 80 10.296 6.622 -17.344 1.00 0.00 H new ATOM 0 HB VAL A 80 7.837 8.115 -16.368 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.655 6.704 -18.044 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.933 7.698 -18.783 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.208 5.963 -18.497 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.826 5.951 -15.686 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.389 5.146 -15.965 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.238 6.379 -14.691 1.00 0.00 H new ATOM 1210 N TYR A 81 10.737 8.818 -18.571 1.00 0.00 N ATOM 1211 CA TYR A 81 11.042 10.063 -19.297 1.00 0.00 C ATOM 1212 C TYR A 81 10.090 10.249 -20.483 1.00 0.00 C ATOM 1213 O TYR A 81 9.702 9.274 -21.140 1.00 0.00 O ATOM 1214 CB TYR A 81 12.507 10.051 -19.801 1.00 0.00 C ATOM 1215 CG TYR A 81 13.559 10.039 -18.677 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.234 8.868 -18.319 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.875 11.208 -17.979 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.184 8.869 -17.317 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.824 11.209 -16.975 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.476 10.039 -16.649 1.00 0.00 C ATOM 1221 OH TYR A 81 16.426 10.041 -15.648 1.00 0.00 O ATOM 0 H TYR A 81 11.027 7.973 -19.064 1.00 0.00 H new ATOM 0 HA TYR A 81 10.909 10.896 -18.606 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.655 9.175 -20.432 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.671 10.927 -20.428 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.008 7.947 -18.835 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.368 12.128 -18.229 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.697 7.955 -17.057 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.054 12.123 -16.448 1.00 0.00 H new ATOM 0 HH TYR A 81 16.512 10.945 -15.280 1.00 0.00 H new ATOM 1231 N LEU A 82 9.711 11.514 -20.728 1.00 0.00 N ATOM 1232 CA LEU A 82 9.034 11.941 -21.957 1.00 0.00 C ATOM 1233 C LEU A 82 9.899 13.023 -22.610 1.00 0.00 C ATOM 1234 O LEU A 82 9.870 14.186 -22.206 1.00 0.00 O ATOM 1235 CB LEU A 82 7.609 12.480 -21.644 1.00 0.00 C ATOM 1236 CG LEU A 82 6.814 13.138 -22.820 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.589 12.170 -23.996 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.477 13.728 -22.320 1.00 0.00 C ATOM 0 H LEU A 82 9.869 12.276 -20.068 1.00 0.00 H new ATOM 0 HA LEU A 82 8.912 11.097 -22.636 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.014 11.653 -21.256 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.695 13.214 -20.843 1.00 0.00 H new ATOM 0 HG LEU A 82 7.429 13.953 -23.201 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.033 12.678 -24.784 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.552 11.841 -24.386 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.022 11.305 -23.652 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.943 14.180 -23.156 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.868 12.934 -21.887 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.675 14.487 -21.563 1.00 0.00 H new ATOM 1250 N GLN A 83 10.707 12.618 -23.593 1.00 0.00 N ATOM 1251 CA GLN A 83 11.503 13.549 -24.386 1.00 0.00 C ATOM 1252 C GLN A 83 10.621 14.102 -25.510 1.00 0.00 C ATOM 1253 O GLN A 83 10.375 13.428 -26.511 1.00 0.00 O ATOM 1254 CB GLN A 83 12.773 12.851 -24.949 1.00 0.00 C ATOM 1255 CG GLN A 83 13.704 13.758 -25.790 1.00 0.00 C ATOM 1256 CD GLN A 83 14.200 14.996 -25.031 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.221 14.948 -24.345 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.488 16.113 -25.161 1.00 0.00 N ATOM 0 H GLN A 83 10.825 11.640 -23.858 1.00 0.00 H new ATOM 0 HA GLN A 83 11.848 14.372 -23.760 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.345 12.444 -24.115 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.462 12.007 -25.564 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.564 13.176 -26.121 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.173 14.079 -26.686 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.647 16.117 -25.738 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.784 16.965 -24.684 1.00 0.00 H new ATOM 1267 N MET A 84 10.106 15.316 -25.294 1.00 0.00 N ATOM 1268 CA MET A 84 9.313 16.042 -26.291 1.00 0.00 C ATOM 1269 C MET A 84 10.263 16.831 -27.200 1.00 0.00 C ATOM 1270 O MET A 84 11.237 17.405 -26.715 1.00 0.00 O ATOM 1271 CB MET A 84 8.315 17.005 -25.604 1.00 0.00 C ATOM 1272 CG MET A 84 7.383 16.357 -24.578 1.00 0.00 C ATOM 1273 SD MET A 84 5.995 17.421 -24.093 1.00 0.00 S ATOM 1274 CE MET A 84 6.802 18.911 -23.501 1.00 0.00 C ATOM 0 H MET A 84 10.228 15.825 -24.419 1.00 0.00 H new ATOM 0 HA MET A 84 8.739 15.328 -26.882 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.880 17.795 -25.109 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.707 17.481 -26.373 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.992 15.427 -24.990 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.958 16.095 -23.690 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.204 19.358 -22.707 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.790 18.661 -23.114 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.903 19.621 -24.322 1.00 0.00 H new ATOM 1284 N ASN A 85 9.979 16.837 -28.505 1.00 0.00 N ATOM 1285 CA ASN A 85 10.763 17.575 -29.515 1.00 0.00 C ATOM 1286 C ASN A 85 9.811 18.151 -30.563 1.00 0.00 C ATOM 1287 O ASN A 85 8.654 17.711 -30.651 1.00 0.00 O ATOM 1288 CB ASN A 85 11.792 16.634 -30.202 1.00 0.00 C ATOM 1289 CG ASN A 85 12.828 17.373 -31.060 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.216 18.502 -30.752 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.261 16.756 -32.149 1.00 0.00 N ATOM 0 H ASN A 85 9.190 16.325 -28.901 1.00 0.00 H new ATOM 0 HA ASN A 85 11.308 18.381 -29.024 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.312 16.058 -29.436 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.257 15.921 -30.829 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.935 17.215 -32.761 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.920 15.822 -32.375 1.00 0.00 H new ATOM 1298 N SER A 86 10.308 19.135 -31.349 1.00 0.00 N ATOM 1299 CA SER A 86 9.549 19.787 -32.437 1.00 0.00 C ATOM 1300 C SER A 86 8.217 20.333 -31.883 1.00 0.00 C ATOM 1301 O SER A 86 7.147 20.191 -32.489 1.00 0.00 O ATOM 1302 CB SER A 86 9.348 18.797 -33.628 1.00 0.00 C ATOM 1303 OG SER A 86 8.731 19.416 -34.756 1.00 0.00 O ATOM 0 H SER A 86 11.255 19.500 -31.243 1.00 0.00 H new ATOM 0 HA SER A 86 10.112 20.635 -32.828 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.315 18.390 -33.925 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.736 17.957 -33.299 1.00 0.00 H new ATOM 0 HG SER A 86 7.896 19.847 -34.477 1.00 0.00 H new ATOM 1309 N LEU A 87 8.321 20.934 -30.688 1.00 0.00 N ATOM 1310 CA LEU A 87 7.170 21.366 -29.898 1.00 0.00 C ATOM 1311 C LEU A 87 6.444 22.540 -30.545 1.00 0.00 C ATOM 1312 O LEU A 87 7.047 23.557 -30.878 1.00 0.00 O ATOM 1313 CB LEU A 87 7.614 21.696 -28.455 1.00 0.00 C ATOM 1314 CG LEU A 87 7.883 20.448 -27.564 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.517 20.840 -26.217 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.574 19.638 -27.370 1.00 0.00 C ATOM 0 H LEU A 87 9.217 21.133 -30.243 1.00 0.00 H new ATOM 0 HA LEU A 87 6.455 20.544 -29.861 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.520 22.300 -28.496 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.845 22.306 -27.982 1.00 0.00 H new ATOM 0 HG LEU A 87 8.605 19.810 -28.075 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.690 19.943 -25.622 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.466 21.346 -26.395 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.844 21.508 -25.679 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.774 18.767 -26.745 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.825 20.266 -26.888 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.202 19.310 -28.341 1.00 0.00 H new ATOM 1328 N LYS A 88 5.144 22.353 -30.731 1.00 0.00 N ATOM 1329 CA LYS A 88 4.252 23.340 -31.316 1.00 0.00 C ATOM 1330 C LYS A 88 3.723 24.255 -30.192 1.00 0.00 C ATOM 1331 O LYS A 88 3.607 23.800 -29.052 1.00 0.00 O ATOM 1332 CB LYS A 88 3.098 22.585 -32.026 1.00 0.00 C ATOM 1333 CG LYS A 88 3.551 21.527 -33.064 1.00 0.00 C ATOM 1334 CD LYS A 88 4.132 22.138 -34.367 1.00 0.00 C ATOM 1335 CE LYS A 88 3.042 22.516 -35.396 1.00 0.00 C ATOM 1336 NZ LYS A 88 2.027 23.470 -34.869 1.00 0.00 N ATOM 0 H LYS A 88 4.670 21.488 -30.472 1.00 0.00 H new ATOM 0 HA LYS A 88 4.766 23.963 -32.048 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.487 22.092 -31.270 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.460 23.314 -32.526 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.303 20.883 -32.608 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.701 20.893 -33.318 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.712 23.026 -34.118 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.820 21.425 -34.821 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.519 22.954 -36.273 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.537 21.609 -35.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.568 23.962 -35.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.311 22.949 -34.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.492 24.167 -34.253 1.00 0.00 H new ATOM 1350 N PRO A 89 3.406 25.554 -30.481 1.00 0.00 N ATOM 1351 CA PRO A 89 2.895 26.502 -29.452 1.00 0.00 C ATOM 1352 C PRO A 89 1.545 26.058 -28.824 1.00 0.00 C ATOM 1353 O PRO A 89 1.157 26.535 -27.746 1.00 0.00 O ATOM 1354 CB PRO A 89 2.756 27.830 -30.234 1.00 0.00 C ATOM 1355 CG PRO A 89 2.663 27.429 -31.671 1.00 0.00 C ATOM 1356 CD PRO A 89 3.537 26.210 -31.807 1.00 0.00 C ATOM 0 HA PRO A 89 3.563 26.571 -28.593 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.869 28.381 -29.920 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.613 28.481 -30.061 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.633 27.206 -31.950 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.004 28.231 -32.325 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.199 25.560 -32.614 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.571 26.477 -32.024 1.00 0.00 H new ATOM 1364 N GLU A 90 0.855 25.130 -29.515 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.409 24.515 -29.055 1.00 0.00 C ATOM 1366 C GLU A 90 -0.190 23.573 -27.837 1.00 0.00 C ATOM 1367 O GLU A 90 -1.145 23.242 -27.129 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.043 23.730 -30.236 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.202 22.522 -30.707 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.711 21.862 -31.998 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -0.207 22.201 -33.092 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.614 20.996 -31.927 1.00 0.00 O ATOM 0 H GLU A 90 1.163 24.780 -30.422 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.080 25.309 -28.726 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.031 23.379 -29.937 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.187 24.410 -31.076 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.827 22.848 -30.861 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.184 21.775 -29.913 1.00 0.00 H new ATOM 1379 N ASP A 91 1.080 23.165 -27.591 1.00 0.00 N ATOM 1380 CA ASP A 91 1.461 22.267 -26.470 1.00 0.00 C ATOM 1381 C ASP A 91 1.675 23.060 -25.158 1.00 0.00 C ATOM 1382 O ASP A 91 2.511 22.693 -24.320 1.00 0.00 O ATOM 1383 CB ASP A 91 2.739 21.456 -26.839 1.00 0.00 C ATOM 1384 CG ASP A 91 2.528 20.497 -28.023 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.073 19.354 -27.808 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.806 20.878 -29.179 1.00 0.00 O ATOM 0 H ASP A 91 1.872 23.450 -28.166 1.00 0.00 H new ATOM 0 HA ASP A 91 0.640 21.570 -26.302 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.544 22.150 -27.081 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.062 20.884 -25.969 1.00 0.00 H new ATOM 1391 N THR A 92 0.922 24.152 -24.984 1.00 0.00 N ATOM 1392 CA THR A 92 0.807 24.846 -23.704 1.00 0.00 C ATOM 1393 C THR A 92 -0.319 24.166 -22.896 1.00 0.00 C ATOM 1394 O THR A 92 -1.506 24.448 -23.105 1.00 0.00 O ATOM 1395 CB THR A 92 0.523 26.366 -23.914 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.604 26.959 -24.661 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.339 27.127 -22.587 1.00 0.00 C ATOM 0 H THR A 92 0.375 24.578 -25.732 1.00 0.00 H new ATOM 0 HA THR A 92 1.746 24.780 -23.154 1.00 0.00 H new ATOM 0 HB THR A 92 -0.414 26.445 -24.465 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.463 26.805 -25.619 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.144 28.179 -22.795 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.502 26.704 -22.038 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.245 27.037 -21.987 1.00 0.00 H new ATOM 1405 N ALA A 93 0.076 23.230 -22.018 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.859 22.362 -21.282 1.00 0.00 C ATOM 1407 C ALA A 93 -0.185 21.800 -20.021 1.00 0.00 C ATOM 1408 O ALA A 93 0.938 22.175 -19.676 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.340 21.223 -22.212 1.00 0.00 C ATOM 0 H ALA A 93 1.056 23.053 -21.798 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.724 22.944 -20.964 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.032 20.579 -21.670 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.844 21.650 -23.079 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.483 20.637 -22.543 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.881 20.903 -19.323 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.340 20.178 -18.176 1.00 0.00 C ATOM 1417 C VAL A 94 -0.330 18.673 -18.506 1.00 0.00 C ATOM 1418 O VAL A 94 -1.377 18.035 -18.594 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.145 20.502 -16.850 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.679 20.320 -17.005 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.603 19.687 -15.656 1.00 0.00 C ATOM 0 H VAL A 94 -1.847 20.657 -19.541 1.00 0.00 H new ATOM 0 HA VAL A 94 0.683 20.502 -17.985 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.984 21.561 -16.647 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.171 20.558 -16.062 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.048 20.987 -17.784 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.897 19.287 -17.278 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.174 19.930 -14.760 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.698 18.622 -15.869 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.447 19.932 -15.494 1.00 0.00 H new ATOM 1431 N TYR A 95 0.868 18.116 -18.726 1.00 0.00 N ATOM 1432 CA TYR A 95 1.049 16.684 -18.997 1.00 0.00 C ATOM 1433 C TYR A 95 1.058 15.948 -17.661 1.00 0.00 C ATOM 1434 O TYR A 95 1.632 16.437 -16.699 1.00 0.00 O ATOM 1435 CB TYR A 95 2.374 16.433 -19.780 1.00 0.00 C ATOM 1436 CG TYR A 95 2.304 16.771 -21.286 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.549 15.799 -22.264 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.974 18.055 -21.728 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.467 16.097 -23.614 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.895 18.356 -23.080 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.144 17.377 -24.015 1.00 0.00 C ATOM 1442 OH TYR A 95 2.039 17.664 -25.361 1.00 0.00 O ATOM 0 H TYR A 95 1.740 18.646 -18.721 1.00 0.00 H new ATOM 0 HA TYR A 95 0.233 16.315 -19.619 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.168 17.025 -19.325 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.654 15.385 -19.669 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.807 14.796 -21.959 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.776 18.829 -21.002 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.655 15.330 -24.351 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.639 19.356 -23.398 1.00 0.00 H new ATOM 0 HH TYR A 95 2.732 17.177 -25.854 1.00 0.00 H new ATOM 1452 N LEU A 96 0.365 14.805 -17.599 1.00 0.00 N ATOM 1453 CA LEU A 96 0.266 13.997 -16.374 1.00 0.00 C ATOM 1454 C LEU A 96 0.687 12.552 -16.685 1.00 0.00 C ATOM 1455 O LEU A 96 0.213 11.951 -17.650 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.167 14.119 -15.756 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.399 13.681 -16.643 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.745 12.185 -16.459 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.648 14.568 -16.381 1.00 0.00 C ATOM 0 H LEU A 96 -0.142 14.414 -18.393 1.00 0.00 H new ATOM 0 HA LEU A 96 0.950 14.370 -15.611 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.187 13.527 -14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.318 15.159 -15.466 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.097 13.827 -17.680 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.598 11.929 -17.088 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.888 11.575 -16.744 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.994 11.995 -15.415 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.471 14.232 -17.011 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.937 14.488 -15.333 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.412 15.606 -16.614 1.00 0.00 H new ATOM 1471 N CYS A 97 1.611 12.019 -15.881 1.00 0.00 N ATOM 1472 CA CYS A 97 2.076 10.642 -16.002 1.00 0.00 C ATOM 1473 C CYS A 97 1.186 9.768 -15.130 1.00 0.00 C ATOM 1474 O CYS A 97 1.092 9.982 -13.921 1.00 0.00 O ATOM 1475 CB CYS A 97 3.549 10.515 -15.565 1.00 0.00 C ATOM 1476 SG CYS A 97 4.224 8.845 -15.738 1.00 0.00 S ATOM 0 H CYS A 97 2.058 12.537 -15.124 1.00 0.00 H new ATOM 0 HA CYS A 97 2.019 10.323 -17.043 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.154 11.204 -16.155 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.637 10.826 -14.524 1.00 0.00 H new ATOM 0 HG CYS A 97 3.565 8.204 -16.657 1.00 0.00 H new ATOM 1482 N ALA A 98 0.510 8.813 -15.755 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.416 7.909 -15.084 1.00 0.00 C ATOM 1484 C ALA A 98 0.142 6.486 -15.105 1.00 0.00 C ATOM 1485 O ALA A 98 1.019 6.167 -15.903 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.788 7.982 -15.765 1.00 0.00 C ATOM 0 H ALA A 98 0.590 8.642 -16.757 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.536 8.207 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.480 7.306 -15.263 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.170 9.001 -15.706 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.691 7.691 -16.811 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.348 5.656 -14.192 1.00 0.00 N ATOM 1493 CA ALA A 99 -0.005 4.231 -14.108 1.00 0.00 C ATOM 1494 C ALA A 99 -1.291 3.418 -13.994 1.00 0.00 C ATOM 1495 O ALA A 99 -2.367 3.982 -13.804 1.00 0.00 O ATOM 1496 CB ALA A 99 0.925 3.966 -12.914 1.00 0.00 C ATOM 0 H ALA A 99 -1.008 5.954 -13.473 1.00 0.00 H new ATOM 0 HA ALA A 99 0.529 3.930 -15.009 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.167 2.904 -12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.842 4.543 -13.032 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.426 4.263 -11.991 1.00 0.00 H new ATOM 1502 N GLY A 100 -1.181 2.099 -14.133 1.00 0.00 N ATOM 1503 CA GLY A 100 -2.333 1.217 -14.009 1.00 0.00 C ATOM 1504 C GLY A 100 -1.958 -0.239 -14.077 1.00 0.00 C ATOM 1505 O GLY A 100 -0.774 -0.588 -14.192 1.00 0.00 O ATOM 0 H GLY A 100 -0.303 1.619 -14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.837 1.415 -13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.045 1.442 -14.803 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.858 4.228 -16.725 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.042 4.962 -15.731 1.00 0.00 C ATOM 1654 C PRO A 110 -5.659 4.817 -14.321 1.00 0.00 C ATOM 1655 O PRO A 110 -6.569 5.555 -13.945 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.066 6.425 -16.252 1.00 0.00 C ATOM 1657 CG PRO A 110 -6.347 6.529 -17.030 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.564 5.162 -17.654 1.00 0.00 C ATOM 0 HA PRO A 110 -4.022 4.590 -15.631 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.043 7.139 -15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.202 6.636 -16.882 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.179 6.798 -16.379 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.278 7.302 -17.796 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.624 4.922 -17.732 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.151 5.112 -18.661 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.206 3.795 -13.581 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.705 3.487 -12.217 1.00 0.00 C ATOM 1668 C ASP A 111 -4.983 4.326 -11.160 1.00 0.00 C ATOM 1669 O ASP A 111 -5.440 4.439 -10.022 1.00 0.00 O ATOM 1670 CB ASP A 111 -5.549 1.973 -11.928 1.00 0.00 C ATOM 1671 CG ASP A 111 -6.348 1.116 -12.928 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -7.589 1.266 -12.972 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -5.748 0.313 -13.672 1.00 0.00 O ATOM 0 H ASP A 111 -4.482 3.153 -13.904 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.763 3.745 -12.169 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.495 1.700 -11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.887 1.759 -10.914 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.851 4.907 -11.561 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.022 5.790 -10.733 1.00 0.00 C ATOM 1680 C TYR A 112 -2.648 7.010 -11.575 1.00 0.00 C ATOM 1681 O TYR A 112 -2.634 6.929 -12.804 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.738 5.057 -10.248 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.024 3.741 -9.511 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -1.914 2.506 -10.164 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.440 3.737 -8.176 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -2.211 1.325 -9.512 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.730 2.557 -7.519 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.618 1.356 -8.191 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.917 0.175 -7.537 1.00 0.00 O ATOM 0 H TYR A 112 -3.473 4.773 -12.499 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.579 6.093 -9.847 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.100 4.851 -11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.179 5.720 -9.588 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.592 2.477 -11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.536 4.674 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.126 0.382 -10.032 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.043 2.574 -6.485 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.186 0.371 -6.615 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.377 8.137 -10.915 1.00 0.00 N ATOM 1700 CA TRP A 113 -1.950 9.389 -11.577 1.00 0.00 C ATOM 1701 C TRP A 113 -0.778 10.004 -10.799 1.00 0.00 C ATOM 1702 O TRP A 113 -0.615 9.738 -9.599 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.133 10.396 -11.681 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.274 9.948 -12.580 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.376 10.132 -13.931 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.467 9.246 -12.190 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.550 9.603 -14.398 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.238 9.054 -13.350 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -5.955 8.763 -10.973 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.469 8.403 -13.331 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.177 8.117 -10.952 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.922 7.941 -12.126 1.00 0.00 C ATOM 0 H TRP A 113 -2.445 8.216 -9.900 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.624 9.159 -12.591 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.527 10.577 -10.681 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.750 11.348 -12.050 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.635 10.625 -14.543 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.861 9.616 -15.369 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.387 8.892 -10.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.045 8.268 -14.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.564 7.742 -10.016 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.873 7.431 -12.078 1.00 0.00 H new ATOM 1723 N GLY A 114 0.034 10.820 -11.494 1.00 0.00 N ATOM 1724 CA GLY A 114 1.173 11.500 -10.879 1.00 0.00 C ATOM 1725 C GLY A 114 0.752 12.721 -10.078 1.00 0.00 C ATOM 1726 O GLY A 114 0.234 12.588 -8.961 1.00 0.00 O ATOM 0 H GLY A 114 -0.084 11.021 -12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.700 10.804 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.875 11.802 -11.656 1.00 0.00 H new ATOM 1730 N GLN A 115 0.974 13.908 -10.652 1.00 0.00 N ATOM 1731 CA GLN A 115 0.532 15.190 -10.060 1.00 0.00 C ATOM 1732 C GLN A 115 0.324 16.272 -11.134 1.00 0.00 C ATOM 1733 O GLN A 115 -0.298 17.305 -10.859 1.00 0.00 O ATOM 1734 CB GLN A 115 1.542 15.672 -8.980 1.00 0.00 C ATOM 1735 CG GLN A 115 2.970 15.953 -9.502 1.00 0.00 C ATOM 1736 CD GLN A 115 3.968 16.368 -8.414 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.865 17.176 -8.658 1.00 0.00 O ATOM 1738 NE2 GLN A 115 3.851 15.799 -7.217 1.00 0.00 N ATOM 0 H GLN A 115 1.464 14.015 -11.540 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.432 15.016 -9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.154 16.581 -8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.600 14.918 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.345 15.059 -10.001 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.921 16.741 -10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.099 15.133 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.513 16.029 -6.476 1.00 0.00 H new ATOM 1747 N GLY A 116 0.847 16.026 -12.350 1.00 0.00 N ATOM 1748 CA GLY A 116 0.713 16.949 -13.467 1.00 0.00 C ATOM 1749 C GLY A 116 1.862 17.948 -13.526 1.00 0.00 C ATOM 1750 O GLY A 116 1.965 18.826 -12.661 1.00 0.00 O ATOM 0 H GLY A 116 1.371 15.180 -12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.675 16.386 -14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.231 17.487 -13.381 1.00 0.00 H new ATOM 1754 N THR A 117 2.722 17.820 -14.544 1.00 0.00 N ATOM 1755 CA THR A 117 3.802 18.778 -14.806 1.00 0.00 C ATOM 1756 C THR A 117 3.342 19.806 -15.878 1.00 0.00 C ATOM 1757 O THR A 117 2.885 19.440 -16.973 1.00 0.00 O ATOM 1758 CB THR A 117 5.114 18.027 -15.243 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.204 18.950 -15.371 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.948 17.237 -16.555 1.00 0.00 C ATOM 0 H THR A 117 2.688 17.048 -15.210 1.00 0.00 H new ATOM 0 HA THR A 117 4.032 19.323 -13.890 1.00 0.00 H new ATOM 0 HB THR A 117 5.329 17.305 -14.455 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.053 18.462 -15.323 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.887 16.742 -16.803 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.164 16.489 -16.433 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.675 17.920 -17.359 1.00 0.00 H new ATOM 1768 N GLN A 118 3.410 21.099 -15.516 1.00 0.00 N ATOM 1769 CA GLN A 118 2.975 22.206 -16.385 1.00 0.00 C ATOM 1770 C GLN A 118 4.063 22.556 -17.409 1.00 0.00 C ATOM 1771 O GLN A 118 5.168 22.963 -17.034 1.00 0.00 O ATOM 1772 CB GLN A 118 2.604 23.459 -15.532 1.00 0.00 C ATOM 1773 CG GLN A 118 1.209 23.407 -14.857 1.00 0.00 C ATOM 1774 CD GLN A 118 0.022 23.859 -15.753 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.959 24.407 -15.251 1.00 0.00 O ATOM 1776 NE2 GLN A 118 0.089 23.650 -17.076 1.00 0.00 N ATOM 0 H GLN A 118 3.768 21.406 -14.612 1.00 0.00 H new ATOM 0 HA GLN A 118 2.087 21.882 -16.928 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.360 23.589 -14.758 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.648 24.340 -16.172 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.023 22.386 -14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.231 24.035 -13.966 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.908 23.195 -17.480 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.679 23.946 -17.679 1.00 0.00 H new ATOM 1785 N VAL A 119 3.743 22.366 -18.700 1.00 0.00 N ATOM 1786 CA VAL A 119 4.598 22.783 -19.825 1.00 0.00 C ATOM 1787 C VAL A 119 3.916 23.952 -20.567 1.00 0.00 C ATOM 1788 O VAL A 119 2.686 23.997 -20.686 1.00 0.00 O ATOM 1789 CB VAL A 119 4.888 21.581 -20.812 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.510 20.382 -20.051 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.616 21.146 -21.584 1.00 0.00 C ATOM 0 H VAL A 119 2.877 21.915 -18.995 1.00 0.00 H new ATOM 0 HA VAL A 119 5.561 23.111 -19.434 1.00 0.00 H new ATOM 0 HB VAL A 119 5.609 21.933 -21.550 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.701 19.567 -20.749 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.448 20.691 -19.589 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.819 20.043 -19.279 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.860 20.318 -22.250 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.851 20.828 -20.875 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.241 21.985 -22.170 1.00 0.00 H new ATOM 1801 N THR A 120 4.705 24.924 -21.022 1.00 0.00 N ATOM 1802 CA THR A 120 4.199 26.063 -21.799 1.00 0.00 C ATOM 1803 C THR A 120 5.117 26.281 -22.994 1.00 0.00 C ATOM 1804 O THR A 120 6.237 26.745 -22.839 1.00 0.00 O ATOM 1805 CB THR A 120 4.113 27.359 -20.914 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.223 27.129 -19.806 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.635 28.594 -21.709 1.00 0.00 C ATOM 0 H THR A 120 5.713 24.948 -20.865 1.00 0.00 H new ATOM 0 HA THR A 120 3.189 25.846 -22.147 1.00 0.00 H new ATOM 0 HB THR A 120 5.121 27.572 -20.558 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.172 27.937 -19.254 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.595 29.459 -21.047 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.330 28.793 -22.525 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.642 28.402 -22.117 1.00 0.00 H new ATOM 1815 N VAL A 121 4.675 25.900 -24.191 1.00 0.00 N ATOM 1816 CA VAL A 121 5.457 26.161 -25.395 1.00 0.00 C ATOM 1817 C VAL A 121 5.028 27.522 -25.968 1.00 0.00 C ATOM 1818 O VAL A 121 3.984 27.630 -26.622 1.00 0.00 O ATOM 1819 CB VAL A 121 5.314 25.012 -26.449 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.270 25.234 -27.648 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.556 23.627 -25.793 1.00 0.00 C ATOM 0 H VAL A 121 3.792 25.416 -24.351 1.00 0.00 H new ATOM 0 HA VAL A 121 6.516 26.193 -25.137 1.00 0.00 H new ATOM 0 HB VAL A 121 4.293 25.030 -26.830 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.150 24.421 -28.364 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.033 26.182 -28.131 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.300 25.255 -27.293 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.451 22.845 -26.545 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.561 23.594 -25.373 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.826 23.468 -25.000 1.00 0.00 H new ATOM 1831 N SER A 122 5.812 28.584 -25.649 1.00 0.00 N ATOM 1832 CA SER A 122 5.595 29.930 -26.221 1.00 0.00 C ATOM 1833 C SER A 122 6.049 29.968 -27.700 1.00 0.00 C ATOM 1834 O SER A 122 6.990 29.270 -28.065 1.00 0.00 O ATOM 1835 CB SER A 122 6.359 30.985 -25.395 1.00 0.00 C ATOM 1836 OG SER A 122 6.095 32.299 -25.854 1.00 0.00 O ATOM 0 H SER A 122 6.597 28.530 -25.000 1.00 0.00 H new ATOM 0 HA SER A 122 4.530 30.160 -26.183 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.075 30.902 -24.346 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.429 30.787 -25.452 1.00 0.00 H new ATOM 0 HG SER A 122 6.593 32.943 -25.308 1.00 0.00 H new ATOM 1842 N SER A 123 5.376 30.782 -28.537 1.00 0.00 N ATOM 1843 CA SER A 123 5.709 30.935 -29.975 1.00 0.00 C ATOM 1844 C SER A 123 6.974 31.804 -30.140 1.00 0.00 C ATOM 1845 O SER A 123 6.876 33.014 -30.387 1.00 0.00 O ATOM 1846 CB SER A 123 4.514 31.559 -30.746 1.00 0.00 C ATOM 1847 OG SER A 123 3.309 30.892 -30.458 1.00 0.00 O ATOM 0 H SER A 123 4.586 31.354 -28.239 1.00 0.00 H new ATOM 0 HA SER A 123 5.909 29.949 -30.394 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.420 32.612 -30.482 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.708 31.515 -31.818 1.00 0.00 H new ATOM 0 HG SER A 123 2.576 31.310 -30.957 1.00 0.00 H new ATOM 1853 N LEU A 124 8.152 31.182 -29.882 1.00 0.00 N ATOM 1854 CA LEU A 124 9.502 31.804 -29.999 1.00 0.00 C ATOM 1855 C LEU A 124 9.814 32.775 -28.813 1.00 0.00 C ATOM 1856 O LEU A 124 10.979 32.893 -28.396 1.00 0.00 O ATOM 1857 CB LEU A 124 9.712 32.490 -31.400 1.00 0.00 C ATOM 1858 CG LEU A 124 11.163 32.506 -32.009 1.00 0.00 C ATOM 1859 CD1 LEU A 124 12.117 33.492 -31.300 1.00 0.00 C ATOM 1860 CD2 LEU A 124 11.757 31.080 -32.054 1.00 0.00 C ATOM 0 H LEU A 124 8.194 30.209 -29.579 1.00 0.00 H new ATOM 0 HA LEU A 124 10.228 30.994 -29.931 1.00 0.00 H new ATOM 0 HB2 LEU A 124 9.056 31.994 -32.115 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.373 33.523 -31.319 1.00 0.00 H new ATOM 0 HG LEU A 124 11.063 32.874 -33.030 1.00 0.00 H new ATOM 0 HD11 LEU A 124 13.099 33.451 -31.771 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.719 34.504 -31.379 1.00 0.00 H new ATOM 0 HD13 LEU A 124 12.207 33.218 -30.249 1.00 0.00 H new ATOM 0 HD21 LEU A 124 12.760 31.117 -32.479 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.805 30.674 -31.044 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.125 30.442 -32.671 1.00 0.00 H new