USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -6.81! C(o=-22!,f=-31!) USER MOD Set 1.2: A 107 ASN : amide:sc= -15.1! C(o=-22!,f=-21!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN : amide:sc= -3.6! K(o=-3.6!,f=-0.44) USER MOD Set 3.1: A 27 GLN : amide:sc= -2.67! C(o=-10!,f=-9!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -7.7! C(o=-10!,f=-16!) USER MOD Single : A 8 GLN : amide:sc= -6.19! C(o=-6.2!,f=-1.8!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 13 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.22) USER MOD Single : A 15 THR OG1 : rot -12:sc= -0.32 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 8:sc= -0.159 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.0716 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0944 (180deg=-0.716) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.25! K(o=-4.2!,f=-0.28) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 53 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.87) USER MOD Single : A 55 HIS : no HE2:sc= -11.1! C(o=-11!,f=-19!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -91:sc= 1.06 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -108:sc= -0.729 (180deg=-2.69) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 38:sc= 0.148 USER MOD Single : A 108 THR OG1 : rot -110:sc= -0.48 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.2!) USER MOD Single : A 123 THR OG1 : rot 122:sc= 0.782 USER MOD Single : A 125 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 128 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.41) USER MOD Single : A 134 CYS SG : rot 68:sc= -1.22! USER MOD Single : A 150 SER OG : rot -89:sc= 0.656 USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 CYS SG : rot 180:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -11.882 8.531 -5.033 1.00 1.00 N ATOM 79 CA ASP A 7 -10.649 9.254 -4.754 1.00 1.00 C ATOM 80 C ASP A 7 -9.916 8.634 -3.568 1.00 1.00 C ATOM 81 O ASP A 7 -10.040 9.096 -2.435 1.00 1.00 O ATOM 82 CB ASP A 7 -10.954 10.724 -4.462 1.00 1.00 C ATOM 83 CG ASP A 7 -11.507 11.406 -5.709 1.00 1.00 C ATOM 84 OD1 ASP A 7 -11.389 10.829 -6.777 1.00 1.00 O ATOM 85 OD2 ASP A 7 -12.036 12.498 -5.578 1.00 1.00 O ATOM 0 HA ASP A 7 -10.008 9.188 -5.633 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -11.675 10.798 -3.648 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -10.048 11.232 -4.132 1.00 1.00 H new ATOM 90 N GLN A 8 -9.149 7.590 -3.850 1.00 1.00 N ATOM 91 CA GLN A 8 -8.385 6.907 -2.810 1.00 1.00 C ATOM 92 C GLN A 8 -7.292 7.834 -2.273 1.00 1.00 C ATOM 93 O GLN A 8 -7.140 7.997 -1.061 1.00 1.00 O ATOM 94 CB GLN A 8 -7.753 5.619 -3.380 1.00 1.00 C ATOM 95 CG GLN A 8 -8.698 4.429 -3.185 1.00 1.00 C ATOM 96 CD GLN A 8 -10.088 4.747 -3.723 1.00 1.00 C ATOM 97 OE1 GLN A 8 -11.084 4.242 -3.205 1.00 1.00 O ATOM 98 NE2 GLN A 8 -10.220 5.560 -4.732 1.00 1.00 N ATOM 0 H GLN A 8 -9.038 7.197 -4.785 1.00 1.00 H new ATOM 0 HA GLN A 8 -9.056 6.640 -1.993 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -7.538 5.750 -4.440 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.803 5.422 -2.884 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.297 3.553 -3.696 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -8.762 4.179 -2.126 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -9.395 5.978 -5.161 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -11.149 5.778 -5.093 1.00 1.00 H new ATOM 107 N SER A 9 -6.518 8.406 -3.187 1.00 1.00 N ATOM 108 CA SER A 9 -5.414 9.289 -2.799 1.00 1.00 C ATOM 109 C SER A 9 -5.884 10.370 -1.836 1.00 1.00 C ATOM 110 O SER A 9 -5.204 10.670 -0.853 1.00 1.00 O ATOM 111 CB SER A 9 -4.796 9.944 -4.033 1.00 1.00 C ATOM 112 OG SER A 9 -5.773 10.746 -4.683 1.00 1.00 O ATOM 0 H SER A 9 -6.628 8.279 -4.193 1.00 1.00 H new ATOM 0 HA SER A 9 -4.664 8.677 -2.297 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.942 10.556 -3.744 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.424 9.180 -4.716 1.00 1.00 H new ATOM 0 HG SER A 9 -5.377 11.168 -5.474 1.00 1.00 H new ATOM 118 N VAL A 10 -7.037 10.958 -2.114 1.00 1.00 N ATOM 119 CA VAL A 10 -7.561 12.008 -1.251 1.00 1.00 C ATOM 120 C VAL A 10 -7.788 11.459 0.156 1.00 1.00 C ATOM 121 O VAL A 10 -7.391 12.071 1.147 1.00 1.00 O ATOM 122 CB VAL A 10 -8.883 12.522 -1.823 1.00 1.00 C ATOM 123 CG1 VAL A 10 -9.508 13.531 -0.861 1.00 1.00 C ATOM 124 CG2 VAL A 10 -8.628 13.190 -3.178 1.00 1.00 C ATOM 0 H VAL A 10 -7.622 10.731 -2.918 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.843 12.826 -1.201 1.00 1.00 H new ATOM 0 HB VAL A 10 -9.568 11.684 -1.954 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -10.449 13.893 -1.275 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.695 13.051 0.099 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -8.827 14.370 -0.721 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -9.570 13.556 -3.586 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -7.940 14.025 -3.048 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -8.193 12.464 -3.865 1.00 1.00 H new ATOM 134 N ALA A 11 -8.454 10.314 0.226 1.00 1.00 N ATOM 135 CA ALA A 11 -8.756 9.695 1.510 1.00 1.00 C ATOM 136 C ALA A 11 -7.531 9.694 2.415 1.00 1.00 C ATOM 137 O ALA A 11 -7.627 10.021 3.596 1.00 1.00 O ATOM 138 CB ALA A 11 -9.243 8.257 1.313 1.00 1.00 C ATOM 0 H ALA A 11 -8.794 9.798 -0.585 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.544 10.281 1.983 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.463 7.811 2.283 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -10.145 8.259 0.701 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.468 7.675 0.814 1.00 1.00 H new ATOM 144 N ILE A 12 -6.381 9.315 1.872 1.00 1.00 N ATOM 145 CA ILE A 12 -5.166 9.268 2.673 1.00 1.00 C ATOM 146 C ILE A 12 -4.825 10.657 3.222 1.00 1.00 C ATOM 147 O ILE A 12 -4.612 10.835 4.422 1.00 1.00 O ATOM 148 CB ILE A 12 -4.009 8.760 1.811 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.406 7.428 1.151 1.00 1.00 C ATOM 150 CG2 ILE A 12 -2.762 8.565 2.676 1.00 1.00 C ATOM 151 CD1 ILE A 12 -4.835 6.399 2.207 1.00 1.00 C ATOM 0 H ILE A 12 -6.265 9.040 0.897 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.327 8.593 3.513 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.788 9.493 1.035 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.222 7.595 0.448 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.566 7.037 0.577 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.942 8.203 2.056 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.482 9.516 3.130 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -2.973 7.837 3.460 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.111 5.466 1.715 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.009 6.217 2.894 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.691 6.783 2.763 1.00 1.00 H new ATOM 163 N GLN A 13 -4.752 11.621 2.315 1.00 1.00 N ATOM 164 CA GLN A 13 -4.406 12.992 2.695 1.00 1.00 C ATOM 165 C GLN A 13 -5.287 13.458 3.853 1.00 1.00 C ATOM 166 O GLN A 13 -4.788 13.989 4.846 1.00 1.00 O ATOM 167 CB GLN A 13 -4.559 13.940 1.481 1.00 1.00 C ATOM 168 CG GLN A 13 -3.183 14.241 0.875 1.00 1.00 C ATOM 169 CD GLN A 13 -2.385 15.121 1.835 1.00 1.00 C ATOM 170 OE1 GLN A 13 -2.828 16.217 2.181 1.00 1.00 O ATOM 171 NE2 GLN A 13 -1.237 14.706 2.298 1.00 1.00 N ATOM 0 H GLN A 13 -4.925 11.486 1.319 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.366 13.014 3.021 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -5.204 13.483 0.731 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.040 14.868 1.792 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -2.646 13.312 0.685 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -3.299 14.744 -0.085 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.870 13.798 2.012 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -0.707 15.289 2.946 1.00 1.00 H new ATOM 180 N GLU A 14 -6.590 13.261 3.726 1.00 1.00 N ATOM 181 CA GLU A 14 -7.516 13.667 4.772 1.00 1.00 C ATOM 182 C GLU A 14 -7.319 12.824 6.030 1.00 1.00 C ATOM 183 O GLU A 14 -7.721 13.217 7.125 1.00 1.00 O ATOM 184 CB GLU A 14 -8.951 13.503 4.266 1.00 1.00 C ATOM 185 CG GLU A 14 -9.206 14.499 3.132 1.00 1.00 C ATOM 186 CD GLU A 14 -10.585 14.262 2.531 1.00 1.00 C ATOM 187 OE1 GLU A 14 -11.266 13.362 2.996 1.00 1.00 O ATOM 188 OE2 GLU A 14 -10.941 14.980 1.611 1.00 1.00 O ATOM 0 H GLU A 14 -7.028 12.825 2.915 1.00 1.00 H new ATOM 0 HA GLU A 14 -7.325 14.710 5.023 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -9.110 12.484 3.913 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.657 13.672 5.079 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -9.135 15.519 3.510 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -8.441 14.390 2.363 1.00 1.00 H new ATOM 195 N THR A 15 -6.716 11.647 5.857 1.00 1.00 N ATOM 196 CA THR A 15 -6.486 10.725 6.979 1.00 1.00 C ATOM 197 C THR A 15 -5.007 10.643 7.339 1.00 1.00 C ATOM 198 O THR A 15 -4.590 9.724 8.044 1.00 1.00 O ATOM 199 CB THR A 15 -6.979 9.316 6.614 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.119 8.764 5.634 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.419 9.361 6.066 1.00 1.00 C ATOM 0 H THR A 15 -6.378 11.307 4.957 1.00 1.00 H new ATOM 0 HA THR A 15 -7.039 11.110 7.836 1.00 1.00 H new ATOM 0 HB THR A 15 -6.972 8.699 7.513 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.532 9.465 5.282 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.745 8.351 5.815 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.083 9.779 6.822 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.449 9.984 5.172 1.00 1.00 H new ATOM 209 N LEU A 16 -4.212 11.600 6.868 1.00 1.00 N ATOM 210 CA LEU A 16 -2.778 11.600 7.165 1.00 1.00 C ATOM 211 C LEU A 16 -2.475 12.573 8.308 1.00 1.00 C ATOM 212 O LEU A 16 -3.083 12.496 9.376 1.00 1.00 O ATOM 213 CB LEU A 16 -1.999 11.997 5.901 1.00 1.00 C ATOM 214 CG LEU A 16 -0.519 11.583 6.018 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.377 10.047 6.019 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.248 12.165 4.824 1.00 1.00 C ATOM 0 H LEU A 16 -4.528 12.376 6.287 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.471 10.602 7.477 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.446 11.521 5.028 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.069 13.074 5.748 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.115 11.965 6.955 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.676 9.779 6.102 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.925 9.631 6.865 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.782 9.644 5.091 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.298 11.881 4.892 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.173 11.777 3.897 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.165 13.252 4.833 1.00 1.00 H new ATOM 228 N VAL A 17 -1.550 13.492 8.069 1.00 1.00 N ATOM 229 CA VAL A 17 -1.184 14.490 9.065 1.00 1.00 C ATOM 230 C VAL A 17 -0.490 15.655 8.366 1.00 1.00 C ATOM 231 O VAL A 17 0.280 15.454 7.427 1.00 1.00 O ATOM 232 CB VAL A 17 -0.272 13.871 10.137 1.00 1.00 C ATOM 233 CG1 VAL A 17 0.821 13.016 9.469 1.00 1.00 C ATOM 234 CG2 VAL A 17 0.375 14.990 10.974 1.00 1.00 C ATOM 0 H VAL A 17 -1.037 13.567 7.190 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.081 14.855 9.566 1.00 1.00 H new ATOM 0 HB VAL A 17 -0.868 13.233 10.790 1.00 1.00 H new ATOM 0 HG11 VAL A 17 1.462 12.581 10.236 1.00 1.00 H new ATOM 0 HG12 VAL A 17 0.356 12.218 8.890 1.00 1.00 H new ATOM 0 HG13 VAL A 17 1.420 13.642 8.808 1.00 1.00 H new ATOM 0 HG21 VAL A 17 1.021 14.549 11.733 1.00 1.00 H new ATOM 0 HG22 VAL A 17 0.967 15.635 10.324 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -0.404 15.579 11.458 1.00 1.00 H new ATOM 244 N GLU A 18 -0.786 16.871 8.804 1.00 1.00 N ATOM 245 CA GLU A 18 -0.205 18.054 8.187 1.00 1.00 C ATOM 246 C GLU A 18 1.305 18.127 8.394 1.00 1.00 C ATOM 247 O GLU A 18 1.778 18.392 9.499 1.00 1.00 O ATOM 248 CB GLU A 18 -0.855 19.298 8.790 1.00 1.00 C ATOM 249 CG GLU A 18 -2.324 19.362 8.371 1.00 1.00 C ATOM 250 CD GLU A 18 -3.012 20.531 9.068 1.00 1.00 C ATOM 251 OE1 GLU A 18 -2.365 21.172 9.880 1.00 1.00 O ATOM 252 OE2 GLU A 18 -4.175 20.760 8.785 1.00 1.00 O ATOM 0 H GLU A 18 -1.421 17.063 9.579 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.390 17.999 7.114 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.777 19.271 9.877 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.331 20.193 8.455 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.398 19.477 7.290 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.825 18.429 8.627 1.00 1.00 H new ATOM 259 N GLY A 19 2.059 17.905 7.314 1.00 1.00 N ATOM 260 CA GLY A 19 3.523 17.965 7.381 1.00 1.00 C ATOM 261 C GLY A 19 4.180 16.852 6.570 1.00 1.00 C ATOM 262 O GLY A 19 5.397 16.676 6.631 1.00 1.00 O ATOM 0 H GLY A 19 1.685 17.684 6.391 1.00 1.00 H new ATOM 0 HA2 GLY A 19 3.863 18.932 7.011 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.841 17.892 8.421 1.00 1.00 H new ATOM 266 N GLU A 20 3.379 16.094 5.816 1.00 1.00 N ATOM 267 CA GLU A 20 3.908 14.989 5.008 1.00 1.00 C ATOM 268 C GLU A 20 3.510 15.132 3.545 1.00 1.00 C ATOM 269 O GLU A 20 2.946 16.147 3.134 1.00 1.00 O ATOM 270 CB GLU A 20 3.415 13.644 5.557 1.00 1.00 C ATOM 271 CG GLU A 20 4.156 13.297 6.860 1.00 1.00 C ATOM 272 CD GLU A 20 3.583 14.095 8.028 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.731 14.934 7.789 1.00 1.00 O ATOM 274 OE2 GLU A 20 4.011 13.858 9.145 1.00 1.00 O ATOM 0 H GLU A 20 2.369 16.223 5.747 1.00 1.00 H new ATOM 0 HA GLU A 20 4.996 15.023 5.068 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.342 13.690 5.742 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.578 12.860 4.818 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.068 12.230 7.063 1.00 1.00 H new ATOM 0 HG3 GLU A 20 5.219 13.514 6.750 1.00 1.00 H new ATOM 281 N TYR A 21 3.848 14.112 2.760 1.00 1.00 N ATOM 282 CA TYR A 21 3.571 14.120 1.325 1.00 1.00 C ATOM 283 C TYR A 21 2.962 12.806 0.869 1.00 1.00 C ATOM 284 O TYR A 21 3.555 11.743 1.044 1.00 1.00 O ATOM 285 CB TYR A 21 4.887 14.344 0.582 1.00 1.00 C ATOM 286 CG TYR A 21 4.626 14.645 -0.870 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.246 15.935 -1.260 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.776 13.637 -1.828 1.00 1.00 C ATOM 289 CE1 TYR A 21 4.015 16.214 -2.612 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.548 13.916 -3.177 1.00 1.00 C ATOM 291 CZ TYR A 21 4.166 15.204 -3.571 1.00 1.00 C ATOM 292 OH TYR A 21 3.939 15.480 -4.904 1.00 1.00 O ATOM 0 H TYR A 21 4.315 13.268 3.093 1.00 1.00 H new ATOM 0 HA TYR A 21 2.857 14.915 1.111 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.434 15.169 1.038 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.516 13.458 0.669 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.131 16.713 -0.519 1.00 1.00 H new ATOM 0 HD2 TYR A 21 5.068 12.643 -1.524 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.720 17.208 -2.916 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.666 13.138 -3.917 1.00 1.00 H new ATOM 0 HH TYR A 21 4.089 14.671 -5.436 1.00 1.00 H new ATOM 302 N CYS A 22 1.800 12.891 0.233 1.00 1.00 N ATOM 303 CA CYS A 22 1.146 11.706 -0.311 1.00 1.00 C ATOM 304 C CYS A 22 1.557 11.585 -1.767 1.00 1.00 C ATOM 305 O CYS A 22 1.716 12.596 -2.452 1.00 1.00 O ATOM 306 CB CYS A 22 -0.376 11.815 -0.177 1.00 1.00 C ATOM 307 SG CYS A 22 -1.033 12.944 -1.432 1.00 1.00 S ATOM 0 H CYS A 22 1.293 13.763 0.081 1.00 1.00 H new ATOM 0 HA CYS A 22 1.450 10.817 0.241 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.830 10.830 -0.289 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.636 12.174 0.819 1.00 1.00 H new ATOM 0 HG CYS A 22 -0.086 13.269 -2.261 1.00 1.00 H new ATOM 313 N VAL A 23 1.741 10.362 -2.246 1.00 1.00 N ATOM 314 CA VAL A 23 2.157 10.137 -3.634 1.00 1.00 C ATOM 315 C VAL A 23 1.068 9.436 -4.437 1.00 1.00 C ATOM 316 O VAL A 23 0.764 9.831 -5.564 1.00 1.00 O ATOM 317 CB VAL A 23 3.405 9.255 -3.640 1.00 1.00 C ATOM 318 CG1 VAL A 23 3.920 9.083 -5.071 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.485 9.908 -2.779 1.00 1.00 C ATOM 0 H VAL A 23 1.611 9.510 -1.701 1.00 1.00 H new ATOM 0 HA VAL A 23 2.356 11.107 -4.090 1.00 1.00 H new ATOM 0 HB VAL A 23 3.156 8.274 -3.236 1.00 1.00 H new ATOM 0 HG11 VAL A 23 4.809 8.453 -5.064 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.148 8.615 -5.682 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.170 10.059 -5.488 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.378 9.283 -2.780 1.00 1.00 H new ATOM 0 HG22 VAL A 23 4.729 10.890 -3.184 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.119 10.018 -1.758 1.00 1.00 H new ATOM 329 N ILE A 24 0.501 8.381 -3.865 1.00 1.00 N ATOM 330 CA ILE A 24 -0.525 7.620 -4.561 1.00 1.00 C ATOM 331 C ILE A 24 -1.226 6.650 -3.614 1.00 1.00 C ATOM 332 O ILE A 24 -0.764 6.409 -2.498 1.00 1.00 O ATOM 333 CB ILE A 24 0.133 6.865 -5.723 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.886 5.971 -6.445 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.280 6.001 -5.196 1.00 1.00 C ATOM 336 CD1 ILE A 24 -0.287 5.481 -7.764 1.00 1.00 C ATOM 0 H ILE A 24 0.731 8.037 -2.933 1.00 1.00 H new ATOM 0 HA ILE A 24 -1.285 8.301 -4.945 1.00 1.00 H new ATOM 0 HB ILE A 24 0.517 7.599 -6.431 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -1.151 5.122 -5.816 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -1.804 6.527 -6.634 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.744 5.467 -6.025 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.022 6.637 -4.713 1.00 1.00 H new ATOM 0 HG23 ILE A 24 0.892 5.283 -4.473 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -1.009 4.846 -8.278 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -0.044 6.337 -8.393 1.00 1.00 H new ATOM 0 HD13 ILE A 24 0.619 4.910 -7.562 1.00 1.00 H new ATOM 348 N ALA A 25 -2.345 6.098 -4.072 1.00 1.00 N ATOM 349 CA ALA A 25 -3.111 5.151 -3.274 1.00 1.00 C ATOM 350 C ALA A 25 -4.125 4.436 -4.150 1.00 1.00 C ATOM 351 O ALA A 25 -5.084 5.044 -4.627 1.00 1.00 O ATOM 352 CB ALA A 25 -3.844 5.876 -2.144 1.00 1.00 C ATOM 0 H ALA A 25 -2.741 6.291 -4.992 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.421 4.425 -2.845 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -4.412 5.154 -1.557 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -3.119 6.376 -1.502 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.524 6.615 -2.567 1.00 1.00 H new ATOM 358 N VAL A 26 -3.906 3.143 -4.369 1.00 1.00 N ATOM 359 CA VAL A 26 -4.804 2.347 -5.200 1.00 1.00 C ATOM 360 C VAL A 26 -5.392 1.206 -4.395 1.00 1.00 C ATOM 361 O VAL A 26 -4.681 0.301 -3.958 1.00 1.00 O ATOM 362 CB VAL A 26 -4.034 1.795 -6.405 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.359 2.957 -7.148 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.965 0.790 -5.928 1.00 1.00 C ATOM 0 H VAL A 26 -3.116 2.625 -3.984 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.618 2.981 -5.551 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.725 1.284 -7.076 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.810 2.570 -8.006 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -4.118 3.660 -7.490 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.669 3.467 -6.476 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.421 0.401 -6.789 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.269 1.291 -5.255 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.449 -0.033 -5.402 1.00 1.00 H new ATOM 374 N GLN A 27 -6.696 1.273 -4.170 1.00 1.00 N ATOM 375 CA GLN A 27 -7.373 0.260 -3.385 1.00 1.00 C ATOM 376 C GLN A 27 -7.201 -1.115 -4.015 1.00 1.00 C ATOM 377 O GLN A 27 -7.013 -1.239 -5.224 1.00 1.00 O ATOM 378 CB GLN A 27 -8.862 0.606 -3.279 1.00 1.00 C ATOM 379 CG GLN A 27 -9.583 -0.450 -2.444 1.00 1.00 C ATOM 380 CD GLN A 27 -11.019 -0.013 -2.187 1.00 1.00 C ATOM 381 OE1 GLN A 27 -11.466 1.002 -2.725 1.00 1.00 O ATOM 382 NE2 GLN A 27 -11.769 -0.714 -1.384 1.00 1.00 N ATOM 0 H GLN A 27 -7.301 2.016 -4.520 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.933 0.236 -2.388 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.984 1.588 -2.823 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.304 0.659 -4.274 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.572 -1.408 -2.964 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.063 -0.596 -1.497 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.396 -1.553 -0.941 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.729 -0.423 -1.199 1.00 1.00 H new ATOM 391 N GLY A 28 -7.255 -2.144 -3.175 1.00 1.00 N ATOM 392 CA GLY A 28 -7.095 -3.512 -3.636 1.00 1.00 C ATOM 393 C GLY A 28 -7.967 -4.462 -2.835 1.00 1.00 C ATOM 394 O GLY A 28 -8.525 -4.097 -1.800 1.00 1.00 O ATOM 0 H GLY A 28 -7.409 -2.052 -2.171 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.356 -3.576 -4.692 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.050 -3.810 -3.547 1.00 1.00 H new ATOM 398 N VAL A 29 -8.066 -5.687 -3.323 1.00 1.00 N ATOM 399 CA VAL A 29 -8.854 -6.722 -2.666 1.00 1.00 C ATOM 400 C VAL A 29 -7.914 -7.764 -2.085 1.00 1.00 C ATOM 401 O VAL A 29 -6.747 -7.829 -2.450 1.00 1.00 O ATOM 402 CB VAL A 29 -9.811 -7.385 -3.668 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.911 -8.151 -2.922 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.448 -6.312 -4.550 1.00 1.00 C ATOM 0 H VAL A 29 -7.606 -5.993 -4.180 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.447 -6.272 -1.870 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.248 -8.084 -4.287 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.583 -8.617 -3.643 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.458 -8.921 -2.298 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.474 -7.460 -2.295 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.127 -6.782 -5.261 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.003 -5.611 -3.927 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.668 -5.777 -5.092 1.00 1.00 H new ATOM 414 N LEU A 30 -8.447 -8.602 -1.221 1.00 1.00 N ATOM 415 CA LEU A 30 -7.684 -9.688 -0.623 1.00 1.00 C ATOM 416 C LEU A 30 -8.619 -10.875 -0.511 1.00 1.00 C ATOM 417 O LEU A 30 -9.656 -10.788 0.147 1.00 1.00 O ATOM 418 CB LEU A 30 -7.159 -9.275 0.757 1.00 1.00 C ATOM 419 CG LEU A 30 -6.031 -10.226 1.214 1.00 1.00 C ATOM 420 CD1 LEU A 30 -5.190 -9.542 2.303 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.618 -11.542 1.758 1.00 1.00 C ATOM 0 H LEU A 30 -9.418 -8.554 -0.911 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.817 -9.940 -1.234 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.787 -8.251 0.719 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.973 -9.292 1.482 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.399 -10.457 0.356 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.395 -10.214 2.624 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.753 -8.627 1.904 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.826 -9.299 3.154 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -5.808 -12.198 2.075 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.265 -11.328 2.609 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.198 -12.033 0.976 1.00 1.00 H new ATOM 433 N CYS A 31 -8.285 -11.978 -1.176 1.00 1.00 N ATOM 434 CA CYS A 31 -9.145 -13.157 -1.157 1.00 1.00 C ATOM 435 C CYS A 31 -8.598 -14.231 -0.236 1.00 1.00 C ATOM 436 O CYS A 31 -7.418 -14.577 -0.289 1.00 1.00 O ATOM 437 CB CYS A 31 -9.256 -13.730 -2.573 1.00 1.00 C ATOM 438 SG CYS A 31 -10.112 -15.325 -2.519 1.00 1.00 S ATOM 0 H CYS A 31 -7.434 -12.080 -1.729 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.124 -12.851 -0.788 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -9.799 -13.036 -3.215 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -8.263 -13.854 -3.005 1.00 1.00 H new ATOM 0 HG CYS A 31 -10.206 -15.808 -3.722 1.00 1.00 H new ATOM 444 N LYS A 32 -9.489 -14.791 0.570 1.00 1.00 N ATOM 445 CA LYS A 32 -9.141 -15.880 1.477 1.00 1.00 C ATOM 446 C LYS A 32 -10.108 -17.028 1.237 1.00 1.00 C ATOM 447 O LYS A 32 -11.124 -17.159 1.917 1.00 1.00 O ATOM 448 CB LYS A 32 -9.195 -15.423 2.936 1.00 1.00 C ATOM 449 CG LYS A 32 -7.964 -14.568 3.245 1.00 1.00 C ATOM 450 CD LYS A 32 -7.973 -14.176 4.721 1.00 1.00 C ATOM 451 CE LYS A 32 -6.801 -13.235 4.995 1.00 1.00 C ATOM 452 NZ LYS A 32 -5.530 -13.908 4.609 1.00 1.00 N ATOM 0 H LYS A 32 -10.468 -14.507 0.615 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.119 -16.205 1.281 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -10.104 -14.850 3.116 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -9.227 -16.288 3.599 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -7.055 -15.122 3.011 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -7.963 -13.675 2.621 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -8.914 -13.688 4.975 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -7.896 -15.065 5.347 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -6.922 -12.310 4.431 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.776 -12.964 6.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -4.732 -13.443 5.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -5.568 -14.908 4.891 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -5.402 -13.843 3.579 1.00 1.00 H new ATOM 466 N GLY A 33 -9.770 -17.853 0.253 1.00 1.00 N ATOM 467 CA GLY A 33 -10.598 -19.000 -0.108 1.00 1.00 C ATOM 468 C GLY A 33 -12.085 -18.672 0.028 1.00 1.00 C ATOM 469 O GLY A 33 -12.728 -19.092 0.989 1.00 1.00 O ATOM 0 H GLY A 33 -8.926 -17.750 -0.311 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.381 -19.300 -1.133 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.350 -19.847 0.531 1.00 1.00 H new ATOM 473 N ASP A 34 -12.621 -17.921 -0.939 1.00 1.00 N ATOM 474 CA ASP A 34 -14.040 -17.536 -0.927 1.00 1.00 C ATOM 475 C ASP A 34 -14.259 -16.302 -0.045 1.00 1.00 C ATOM 476 O ASP A 34 -14.879 -15.327 -0.471 1.00 1.00 O ATOM 477 CB ASP A 34 -14.908 -18.705 -0.416 1.00 1.00 C ATOM 478 CG ASP A 34 -16.315 -18.632 -1.004 1.00 1.00 C ATOM 479 OD1 ASP A 34 -16.671 -17.580 -1.509 1.00 1.00 O ATOM 480 OD2 ASP A 34 -17.017 -19.630 -0.936 1.00 1.00 O ATOM 0 H ASP A 34 -12.097 -17.567 -1.739 1.00 1.00 H new ATOM 0 HA ASP A 34 -14.335 -17.293 -1.948 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -14.444 -19.654 -0.687 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -14.962 -18.676 0.672 1.00 1.00 H new ATOM 485 N SER A 35 -13.744 -16.358 1.176 1.00 1.00 N ATOM 486 CA SER A 35 -13.885 -15.242 2.107 1.00 1.00 C ATOM 487 C SER A 35 -13.171 -14.017 1.554 1.00 1.00 C ATOM 488 O SER A 35 -11.988 -13.805 1.819 1.00 1.00 O ATOM 489 CB SER A 35 -13.286 -15.623 3.462 1.00 1.00 C ATOM 490 OG SER A 35 -13.638 -14.645 4.430 1.00 1.00 O ATOM 0 H SER A 35 -13.228 -17.157 1.545 1.00 1.00 H new ATOM 0 HA SER A 35 -14.943 -15.012 2.234 1.00 1.00 H new ATOM 0 HB2 SER A 35 -13.652 -16.603 3.770 1.00 1.00 H new ATOM 0 HB3 SER A 35 -12.201 -15.698 3.384 1.00 1.00 H new ATOM 0 HG SER A 35 -13.255 -14.891 5.298 1.00 1.00 H new ATOM 496 N ARG A 36 -13.885 -13.221 0.758 1.00 1.00 N ATOM 497 CA ARG A 36 -13.292 -12.035 0.151 1.00 1.00 C ATOM 498 C ARG A 36 -13.271 -10.864 1.128 1.00 1.00 C ATOM 499 O ARG A 36 -14.197 -10.677 1.916 1.00 1.00 O ATOM 500 CB ARG A 36 -14.077 -11.653 -1.124 1.00 1.00 C ATOM 501 CG ARG A 36 -13.118 -11.083 -2.190 1.00 1.00 C ATOM 502 CD ARG A 36 -12.519 -12.232 -3.008 1.00 1.00 C ATOM 503 NE ARG A 36 -13.559 -12.875 -3.802 1.00 1.00 N ATOM 504 CZ ARG A 36 -13.918 -12.390 -4.988 1.00 1.00 C ATOM 505 NH1 ARG A 36 -13.330 -11.328 -5.464 1.00 1.00 N ATOM 506 NH2 ARG A 36 -14.858 -12.980 -5.674 1.00 1.00 N ATOM 0 H ARG A 36 -14.865 -13.376 0.522 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.260 -12.266 -0.114 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.592 -12.529 -1.519 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -14.842 -10.916 -0.881 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -13.653 -10.397 -2.846 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -12.323 -10.511 -1.711 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -11.733 -11.853 -3.662 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -12.056 -12.960 -2.342 1.00 1.00 H new ATOM 0 HE ARG A 36 -14.019 -13.711 -3.442 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -12.594 -10.869 -4.927 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -13.606 -10.957 -6.373 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -15.316 -13.811 -5.301 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -15.135 -12.610 -6.583 1.00 1.00 H new ATOM 520 N GLN A 37 -12.197 -10.081 1.062 1.00 1.00 N ATOM 521 CA GLN A 37 -12.031 -8.921 1.932 1.00 1.00 C ATOM 522 C GLN A 37 -11.604 -7.712 1.108 1.00 1.00 C ATOM 523 O GLN A 37 -10.934 -7.850 0.084 1.00 1.00 O ATOM 524 CB GLN A 37 -10.975 -9.232 2.994 1.00 1.00 C ATOM 525 CG GLN A 37 -11.476 -10.373 3.880 1.00 1.00 C ATOM 526 CD GLN A 37 -10.334 -10.906 4.727 1.00 1.00 C ATOM 527 OE1 GLN A 37 -10.357 -10.794 5.953 1.00 1.00 O ATOM 528 NE2 GLN A 37 -9.326 -11.483 4.136 1.00 1.00 N ATOM 0 H GLN A 37 -11.426 -10.230 0.412 1.00 1.00 H new ATOM 0 HA GLN A 37 -12.978 -8.694 2.421 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.035 -9.510 2.519 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.777 -8.346 3.598 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.283 -10.020 4.522 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -11.887 -11.172 3.262 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -9.314 -11.572 3.120 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -8.550 -11.845 4.689 1.00 1.00 H new ATOM 537 N SER A 38 -11.990 -6.527 1.571 1.00 1.00 N ATOM 538 CA SER A 38 -11.645 -5.283 0.878 1.00 1.00 C ATOM 539 C SER A 38 -10.663 -4.478 1.715 1.00 1.00 C ATOM 540 O SER A 38 -10.934 -4.143 2.867 1.00 1.00 O ATOM 541 CB SER A 38 -12.904 -4.459 0.609 1.00 1.00 C ATOM 542 OG SER A 38 -13.909 -5.307 0.069 1.00 1.00 O ATOM 0 H SER A 38 -12.540 -6.398 2.420 1.00 1.00 H new ATOM 0 HA SER A 38 -11.179 -5.530 -0.076 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.257 -3.999 1.532 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.682 -3.649 -0.086 1.00 1.00 H new ATOM 0 HG SER A 38 -14.720 -4.784 -0.104 1.00 1.00 H new ATOM 548 N ARG A 39 -9.511 -4.181 1.120 1.00 1.00 N ATOM 549 CA ARG A 39 -8.462 -3.425 1.802 1.00 1.00 C ATOM 550 C ARG A 39 -8.020 -2.248 0.945 1.00 1.00 C ATOM 551 O ARG A 39 -8.083 -2.301 -0.282 1.00 1.00 O ATOM 552 CB ARG A 39 -7.264 -4.336 2.060 1.00 1.00 C ATOM 553 CG ARG A 39 -7.673 -5.532 2.935 1.00 1.00 C ATOM 554 CD ARG A 39 -7.755 -5.113 4.408 1.00 1.00 C ATOM 555 NE ARG A 39 -8.008 -6.284 5.249 1.00 1.00 N ATOM 556 CZ ARG A 39 -9.242 -6.632 5.619 1.00 1.00 C ATOM 557 NH1 ARG A 39 -10.273 -5.943 5.210 1.00 1.00 N ATOM 558 NH2 ARG A 39 -9.419 -7.672 6.387 1.00 1.00 N ATOM 0 H ARG A 39 -9.279 -4.453 0.165 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.855 -3.051 2.748 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.861 -4.693 1.112 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.471 -3.773 2.552 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -8.638 -5.919 2.606 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -6.950 -6.339 2.820 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.824 -4.632 4.710 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -8.551 -4.380 4.542 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.219 -6.850 5.561 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -10.138 -5.134 4.604 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -11.214 -6.214 5.496 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -8.616 -8.216 6.702 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -10.361 -7.941 6.672 1.00 1.00 H new ATOM 572 N LEU A 40 -7.571 -1.187 1.611 1.00 1.00 N ATOM 573 CA LEU A 40 -7.115 0.020 0.921 1.00 1.00 C ATOM 574 C LEU A 40 -5.633 0.250 1.199 1.00 1.00 C ATOM 575 O LEU A 40 -5.222 0.364 2.354 1.00 1.00 O ATOM 576 CB LEU A 40 -7.953 1.216 1.406 1.00 1.00 C ATOM 577 CG LEU A 40 -7.766 2.455 0.485 1.00 1.00 C ATOM 578 CD1 LEU A 40 -9.085 3.254 0.413 1.00 1.00 C ATOM 579 CD2 LEU A 40 -6.658 3.367 1.039 1.00 1.00 C ATOM 0 H LEU A 40 -7.513 -1.137 2.628 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.243 -0.095 -0.155 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -9.006 0.937 1.432 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.666 1.473 2.426 1.00 1.00 H new ATOM 0 HG LEU A 40 -7.486 2.110 -0.511 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -8.950 4.121 -0.233 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -9.873 2.619 0.008 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -9.364 3.586 1.413 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -6.537 4.231 0.385 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -6.930 3.704 2.039 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -5.720 2.813 1.086 1.00 1.00 H new ATOM 591 N LEU A 41 -4.823 0.299 0.134 1.00 1.00 N ATOM 592 CA LEU A 41 -3.378 0.492 0.276 1.00 1.00 C ATOM 593 C LEU A 41 -2.996 1.950 0.045 1.00 1.00 C ATOM 594 O LEU A 41 -3.788 2.736 -0.478 1.00 1.00 O ATOM 595 CB LEU A 41 -2.639 -0.373 -0.749 1.00 1.00 C ATOM 596 CG LEU A 41 -2.815 -1.862 -0.420 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.255 -2.319 -0.709 1.00 1.00 C ATOM 598 CD2 LEU A 41 -1.836 -2.674 -1.276 1.00 1.00 C ATOM 0 H LEU A 41 -5.143 0.208 -0.830 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.098 0.205 1.290 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -3.020 -0.168 -1.749 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.579 -0.118 -0.753 1.00 1.00 H new ATOM 0 HG LEU A 41 -2.613 -2.020 0.639 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.356 -3.377 -0.468 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -4.950 -1.740 -0.100 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.481 -2.164 -1.764 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -1.950 -3.735 -1.052 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -2.046 -2.501 -2.332 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -0.815 -2.364 -1.054 1.00 1.00 H new ATOM 610 N GLY A 42 -1.770 2.298 0.424 1.00 1.00 N ATOM 611 CA GLY A 42 -1.279 3.657 0.243 1.00 1.00 C ATOM 612 C GLY A 42 0.241 3.707 0.348 1.00 1.00 C ATOM 613 O GLY A 42 0.844 2.944 1.098 1.00 1.00 O ATOM 0 H GLY A 42 -1.102 1.660 0.856 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.592 4.034 -0.730 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.721 4.310 0.995 1.00 1.00 H new ATOM 617 N LEU A 43 0.851 4.640 -0.381 1.00 1.00 N ATOM 618 CA LEU A 43 2.306 4.824 -0.348 1.00 1.00 C ATOM 619 C LEU A 43 2.623 6.258 0.048 1.00 1.00 C ATOM 620 O LEU A 43 2.091 7.200 -0.538 1.00 1.00 O ATOM 621 CB LEU A 43 2.905 4.494 -1.720 1.00 1.00 C ATOM 622 CG LEU A 43 4.396 4.850 -1.760 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.139 4.157 -0.610 1.00 1.00 C ATOM 624 CD2 LEU A 43 4.974 4.376 -3.096 1.00 1.00 C ATOM 0 H LEU A 43 0.362 5.283 -1.004 1.00 1.00 H new ATOM 0 HA LEU A 43 2.746 4.150 0.387 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.773 3.433 -1.934 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.374 5.044 -2.496 1.00 1.00 H new ATOM 0 HG LEU A 43 4.516 5.928 -1.655 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.196 4.418 -0.650 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.721 4.483 0.342 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.028 3.077 -0.704 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.035 4.622 -3.141 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.847 3.297 -3.185 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.452 4.871 -3.915 1.00 1.00 H new ATOM 636 N VAL A 44 3.476 6.423 1.064 1.00 1.00 N ATOM 637 CA VAL A 44 3.832 7.761 1.546 1.00 1.00 C ATOM 638 C VAL A 44 5.334 7.987 1.539 1.00 1.00 C ATOM 639 O VAL A 44 6.101 7.198 2.091 1.00 1.00 O ATOM 640 CB VAL A 44 3.313 7.944 2.974 1.00 1.00 C ATOM 641 CG1 VAL A 44 3.949 6.899 3.896 1.00 1.00 C ATOM 642 CG2 VAL A 44 3.663 9.350 3.471 1.00 1.00 C ATOM 0 H VAL A 44 3.928 5.657 1.563 1.00 1.00 H new ATOM 0 HA VAL A 44 3.375 8.485 0.872 1.00 1.00 H new ATOM 0 HB VAL A 44 2.231 7.816 2.981 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.576 7.034 4.911 1.00 1.00 H new ATOM 0 HG12 VAL A 44 3.692 5.900 3.545 1.00 1.00 H new ATOM 0 HG13 VAL A 44 5.032 7.019 3.889 1.00 1.00 H new ATOM 0 HG21 VAL A 44 3.293 9.479 4.488 1.00 1.00 H new ATOM 0 HG22 VAL A 44 4.745 9.481 3.459 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.201 10.092 2.820 1.00 1.00 H new ATOM 652 N ARG A 45 5.742 9.101 0.933 1.00 1.00 N ATOM 653 CA ARG A 45 7.149 9.480 0.876 1.00 1.00 C ATOM 654 C ARG A 45 7.362 10.708 1.748 1.00 1.00 C ATOM 655 O ARG A 45 6.627 11.687 1.646 1.00 1.00 O ATOM 656 CB ARG A 45 7.557 9.787 -0.563 1.00 1.00 C ATOM 657 CG ARG A 45 9.050 10.113 -0.613 1.00 1.00 C ATOM 658 CD ARG A 45 9.462 10.366 -2.062 1.00 1.00 C ATOM 659 NE ARG A 45 8.787 11.554 -2.568 1.00 1.00 N ATOM 660 CZ ARG A 45 9.278 12.771 -2.354 1.00 1.00 C ATOM 661 NH1 ARG A 45 10.388 12.915 -1.682 1.00 1.00 N ATOM 662 NH2 ARG A 45 8.651 13.819 -2.814 1.00 1.00 N ATOM 0 H ARG A 45 5.113 9.759 0.473 1.00 1.00 H new ATOM 0 HA ARG A 45 7.763 8.656 1.239 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.339 8.933 -1.204 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.978 10.628 -0.945 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.263 10.991 -0.003 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.628 9.288 -0.197 1.00 1.00 H new ATOM 0 HD2 ARG A 45 10.542 10.496 -2.125 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.209 9.503 -2.678 1.00 1.00 H new ATOM 0 HE ARG A 45 7.921 11.450 -3.097 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.877 12.095 -1.322 1.00 1.00 H new ATOM 0 HH12 ARG A 45 10.767 13.848 -1.517 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.783 13.705 -3.338 1.00 1.00 H new ATOM 0 HH22 ARG A 45 9.028 14.752 -2.649 1.00 1.00 H new ATOM 676 N TYR A 46 8.353 10.641 2.622 1.00 1.00 N ATOM 677 CA TYR A 46 8.650 11.740 3.536 1.00 1.00 C ATOM 678 C TYR A 46 10.160 11.959 3.609 1.00 1.00 C ATOM 679 O TYR A 46 10.925 10.998 3.674 1.00 1.00 O ATOM 680 CB TYR A 46 8.083 11.395 4.914 1.00 1.00 C ATOM 681 CG TYR A 46 8.523 12.418 5.925 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.875 13.655 6.001 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.582 12.125 6.791 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.285 14.600 6.946 1.00 1.00 C ATOM 685 CE2 TYR A 46 9.994 13.070 7.735 1.00 1.00 C ATOM 686 CZ TYR A 46 9.346 14.309 7.812 1.00 1.00 C ATOM 687 OH TYR A 46 9.752 15.240 8.744 1.00 1.00 O ATOM 0 H TYR A 46 8.970 9.835 2.720 1.00 1.00 H new ATOM 0 HA TYR A 46 8.192 12.663 3.179 1.00 1.00 H new ATOM 0 HB2 TYR A 46 6.994 11.361 4.870 1.00 1.00 H new ATOM 0 HB3 TYR A 46 8.421 10.404 5.217 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.059 13.880 5.330 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.081 11.169 6.730 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.783 15.554 7.008 1.00 1.00 H new ATOM 0 HE2 TYR A 46 10.811 12.845 8.404 1.00 1.00 H new ATOM 0 HH TYR A 46 10.499 14.877 9.265 1.00 1.00 H new ATOM 697 N ARG A 47 10.590 13.220 3.583 1.00 1.00 N ATOM 698 CA ARG A 47 12.021 13.531 3.631 1.00 1.00 C ATOM 699 C ARG A 47 12.512 13.633 5.073 1.00 1.00 C ATOM 700 O ARG A 47 11.768 14.034 5.967 1.00 1.00 O ATOM 701 CB ARG A 47 12.294 14.847 2.895 1.00 1.00 C ATOM 702 CG ARG A 47 13.805 15.108 2.856 1.00 1.00 C ATOM 703 CD ARG A 47 14.087 16.379 2.054 1.00 1.00 C ATOM 704 NE ARG A 47 15.526 16.643 2.013 1.00 1.00 N ATOM 705 CZ ARG A 47 16.303 16.097 1.080 1.00 1.00 C ATOM 706 NH1 ARG A 47 15.787 15.299 0.186 1.00 1.00 N ATOM 707 NH2 ARG A 47 17.582 16.358 1.059 1.00 1.00 N ATOM 0 H ARG A 47 9.978 14.034 3.530 1.00 1.00 H new ATOM 0 HA ARG A 47 12.562 12.721 3.141 1.00 1.00 H new ATOM 0 HB2 ARG A 47 11.896 14.798 1.881 1.00 1.00 H new ATOM 0 HB3 ARG A 47 11.785 15.669 3.398 1.00 1.00 H new ATOM 0 HG2 ARG A 47 14.192 15.212 3.870 1.00 1.00 H new ATOM 0 HG3 ARG A 47 14.319 14.260 2.404 1.00 1.00 H new ATOM 0 HD2 ARG A 47 13.701 16.271 1.040 1.00 1.00 H new ATOM 0 HD3 ARG A 47 13.568 17.225 2.505 1.00 1.00 H new ATOM 0 HE ARG A 47 15.942 17.257 2.713 1.00 1.00 H new ATOM 0 HH11 ARG A 47 14.788 15.093 0.202 1.00 1.00 H new ATOM 0 HH12 ARG A 47 16.383 14.881 -0.529 1.00 1.00 H new ATOM 0 HH21 ARG A 47 17.987 16.981 1.758 1.00 1.00 H new ATOM 0 HH22 ARG A 47 18.176 15.939 0.344 1.00 1.00 H new ATOM 721 N LEU A 48 13.779 13.273 5.285 1.00 1.00 N ATOM 722 CA LEU A 48 14.381 13.329 6.620 1.00 1.00 C ATOM 723 C LEU A 48 15.205 14.601 6.777 1.00 1.00 C ATOM 724 O LEU A 48 15.896 15.027 5.851 1.00 1.00 O ATOM 725 CB LEU A 48 15.287 12.112 6.845 1.00 1.00 C ATOM 726 CG LEU A 48 14.464 10.816 6.788 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.417 9.616 6.754 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.555 10.702 8.026 1.00 1.00 C ATOM 0 H LEU A 48 14.407 12.941 4.553 1.00 1.00 H new ATOM 0 HA LEU A 48 13.578 13.325 7.357 1.00 1.00 H new ATOM 0 HB2 LEU A 48 16.069 12.087 6.086 1.00 1.00 H new ATOM 0 HB3 LEU A 48 15.783 12.193 7.812 1.00 1.00 H new ATOM 0 HG LEU A 48 13.843 10.831 5.892 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.839 8.693 6.714 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.055 9.683 5.873 1.00 1.00 H new ATOM 0 HD13 LEU A 48 16.036 9.617 7.651 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.979 9.779 7.970 1.00 1.00 H new ATOM 0 HD22 LEU A 48 14.167 10.694 8.928 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.875 11.553 8.057 1.00 1.00 H new ATOM 740 N GLU A 49 15.123 15.199 7.957 1.00 1.00 N ATOM 741 CA GLU A 49 15.862 16.422 8.241 1.00 1.00 C ATOM 742 C GLU A 49 17.346 16.232 7.942 1.00 1.00 C ATOM 743 O GLU A 49 18.095 17.202 7.821 1.00 1.00 O ATOM 744 CB GLU A 49 15.672 16.806 9.709 1.00 1.00 C ATOM 745 CG GLU A 49 14.220 17.229 9.939 1.00 1.00 C ATOM 746 CD GLU A 49 13.977 17.485 11.421 1.00 1.00 C ATOM 747 OE1 GLU A 49 14.921 17.360 12.185 1.00 1.00 O ATOM 748 OE2 GLU A 49 12.852 17.800 11.771 1.00 1.00 O ATOM 0 H GLU A 49 14.554 14.859 8.732 1.00 1.00 H new ATOM 0 HA GLU A 49 15.480 17.220 7.604 1.00 1.00 H new ATOM 0 HB2 GLU A 49 15.923 15.963 10.352 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.346 17.621 9.974 1.00 1.00 H new ATOM 0 HG2 GLU A 49 14.000 18.130 9.366 1.00 1.00 H new ATOM 0 HG3 GLU A 49 13.546 16.451 9.581 1.00 1.00 H new ATOM 755 N ASN A 50 17.763 14.976 7.828 1.00 1.00 N ATOM 756 CA ASN A 50 19.160 14.665 7.548 1.00 1.00 C ATOM 757 C ASN A 50 19.463 14.866 6.067 1.00 1.00 C ATOM 758 O ASN A 50 20.605 14.722 5.637 1.00 1.00 O ATOM 759 CB ASN A 50 19.454 13.216 7.935 1.00 1.00 C ATOM 760 CG ASN A 50 19.322 13.045 9.443 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.788 13.890 10.207 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.703 12.000 9.920 1.00 1.00 N ATOM 0 H ASN A 50 17.158 14.161 7.924 1.00 1.00 H new ATOM 0 HA ASN A 50 19.790 15.335 8.133 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.763 12.546 7.423 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.460 12.942 7.616 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.604 11.882 10.928 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.318 11.301 9.285 1.00 1.00 H new ATOM 769 N ASP A 51 18.417 15.168 5.299 1.00 1.00 N ATOM 770 CA ASP A 51 18.535 15.364 3.852 1.00 1.00 C ATOM 771 C ASP A 51 18.438 14.011 3.160 1.00 1.00 C ATOM 772 O ASP A 51 18.662 13.892 1.955 1.00 1.00 O ATOM 773 CB ASP A 51 19.862 16.049 3.475 1.00 1.00 C ATOM 774 CG ASP A 51 20.216 17.121 4.500 1.00 1.00 C ATOM 775 OD1 ASP A 51 19.316 17.827 4.926 1.00 1.00 O ATOM 776 OD2 ASP A 51 21.382 17.219 4.848 1.00 1.00 O ATOM 0 H ASP A 51 17.469 15.283 5.658 1.00 1.00 H new ATOM 0 HA ASP A 51 17.725 16.016 3.526 1.00 1.00 H new ATOM 0 HB2 ASP A 51 20.660 15.308 3.424 1.00 1.00 H new ATOM 0 HB3 ASP A 51 19.779 16.497 2.485 1.00 1.00 H new ATOM 781 N ALA A 52 18.109 12.989 3.952 1.00 1.00 N ATOM 782 CA ALA A 52 17.985 11.623 3.446 1.00 1.00 C ATOM 783 C ALA A 52 16.531 11.295 3.115 1.00 1.00 C ATOM 784 O ALA A 52 15.610 11.722 3.811 1.00 1.00 O ATOM 785 CB ALA A 52 18.505 10.640 4.499 1.00 1.00 C ATOM 0 H ALA A 52 17.923 13.083 4.950 1.00 1.00 H new ATOM 0 HA ALA A 52 18.575 11.536 2.533 1.00 1.00 H new ATOM 0 HB1 ALA A 52 18.413 9.621 4.123 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.552 10.855 4.712 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.920 10.743 5.413 1.00 1.00 H new ATOM 791 N GLN A 53 16.339 10.541 2.037 1.00 1.00 N ATOM 792 CA GLN A 53 14.998 10.155 1.594 1.00 1.00 C ATOM 793 C GLN A 53 14.629 8.765 2.107 1.00 1.00 C ATOM 794 O GLN A 53 15.497 7.913 2.292 1.00 1.00 O ATOM 795 CB GLN A 53 14.955 10.154 0.066 1.00 1.00 C ATOM 796 CG GLN A 53 15.044 11.592 -0.456 1.00 1.00 C ATOM 797 CD GLN A 53 13.694 12.285 -0.299 1.00 1.00 C ATOM 798 OE1 GLN A 53 13.527 13.426 -0.729 1.00 1.00 O ATOM 799 NE2 GLN A 53 12.716 11.658 0.294 1.00 1.00 N ATOM 0 H GLN A 53 17.094 10.183 1.452 1.00 1.00 H new ATOM 0 HA GLN A 53 14.282 10.873 1.994 1.00 1.00 H new ATOM 0 HB2 GLN A 53 15.780 9.562 -0.330 1.00 1.00 H new ATOM 0 HB3 GLN A 53 14.033 9.688 -0.281 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.810 12.140 0.092 1.00 1.00 H new ATOM 0 HG3 GLN A 53 15.342 11.590 -1.504 1.00 1.00 H new ATOM 0 HE21 GLN A 53 12.857 10.712 0.649 1.00 1.00 H new ATOM 0 HE22 GLN A 53 11.810 12.113 0.402 1.00 1.00 H new ATOM 808 N GLU A 54 13.333 8.538 2.314 1.00 1.00 N ATOM 809 CA GLU A 54 12.859 7.240 2.781 1.00 1.00 C ATOM 810 C GLU A 54 11.390 7.052 2.406 1.00 1.00 C ATOM 811 O GLU A 54 10.686 8.020 2.112 1.00 1.00 O ATOM 812 CB GLU A 54 13.042 7.115 4.304 1.00 1.00 C ATOM 813 CG GLU A 54 13.094 5.633 4.706 1.00 1.00 C ATOM 814 CD GLU A 54 14.374 4.991 4.181 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.344 5.709 4.005 1.00 1.00 O ATOM 816 OE2 GLU A 54 14.367 3.788 3.969 1.00 1.00 O ATOM 0 H GLU A 54 12.599 9.231 2.167 1.00 1.00 H new ATOM 0 HA GLU A 54 13.448 6.460 2.299 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.960 7.616 4.611 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.220 7.612 4.820 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.051 5.541 5.791 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.225 5.109 4.307 1.00 1.00 H new ATOM 823 N HIS A 55 10.938 5.800 2.406 1.00 1.00 N ATOM 824 CA HIS A 55 9.555 5.482 2.048 1.00 1.00 C ATOM 825 C HIS A 55 9.028 4.326 2.889 1.00 1.00 C ATOM 826 O HIS A 55 9.796 3.618 3.542 1.00 1.00 O ATOM 827 CB HIS A 55 9.484 5.076 0.579 1.00 1.00 C ATOM 828 CG HIS A 55 10.124 6.128 -0.281 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.468 6.450 -0.181 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.622 6.926 -1.279 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.727 7.400 -1.096 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.637 7.727 -1.792 1.00 1.00 N ATOM 0 H HIS A 55 11.507 4.989 2.649 1.00 1.00 H new ATOM 0 HA HIS A 55 8.948 6.369 2.231 1.00 1.00 H new ATOM 0 HB2 HIS A 55 9.988 4.121 0.433 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.444 4.936 0.283 1.00 1.00 H new ATOM 0 HD1 HIS A 55 12.139 6.040 0.469 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.595 6.931 -1.615 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.699 7.844 -1.249 1.00 1.00 H new ATOM 840 N ALA A 56 7.713 4.138 2.857 1.00 1.00 N ATOM 841 CA ALA A 56 7.071 3.061 3.601 1.00 1.00 C ATOM 842 C ALA A 56 5.724 2.729 2.956 1.00 1.00 C ATOM 843 O ALA A 56 5.076 3.601 2.378 1.00 1.00 O ATOM 844 CB ALA A 56 6.864 3.483 5.058 1.00 1.00 C ATOM 0 H ALA A 56 7.069 4.720 2.321 1.00 1.00 H new ATOM 0 HA ALA A 56 7.709 2.177 3.579 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.384 2.673 5.607 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.829 3.707 5.512 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.231 4.370 5.094 1.00 1.00 H new ATOM 850 N LEU A 57 5.306 1.466 3.053 1.00 1.00 N ATOM 851 CA LEU A 57 4.031 1.034 2.468 1.00 1.00 C ATOM 852 C LEU A 57 2.954 0.991 3.545 1.00 1.00 C ATOM 853 O LEU A 57 2.860 0.037 4.317 1.00 1.00 O ATOM 854 CB LEU A 57 4.199 -0.344 1.798 1.00 1.00 C ATOM 855 CG LEU A 57 2.832 -0.970 1.480 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.002 0.001 0.639 1.00 1.00 C ATOM 857 CD2 LEU A 57 3.043 -2.267 0.696 1.00 1.00 C ATOM 0 H LEU A 57 5.826 0.727 3.527 1.00 1.00 H new ATOM 0 HA LEU A 57 3.723 1.749 1.705 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.777 -0.238 0.880 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.763 -1.006 2.455 1.00 1.00 H new ATOM 0 HG LEU A 57 2.305 -1.182 2.410 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.034 -0.447 0.416 1.00 1.00 H new ATOM 0 HD12 LEU A 57 1.854 0.928 1.193 1.00 1.00 H new ATOM 0 HD13 LEU A 57 2.526 0.215 -0.293 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.076 -2.716 0.468 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.570 -2.049 -0.233 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.633 -2.962 1.294 1.00 1.00 H new ATOM 869 N PHE A 58 2.165 2.054 3.602 1.00 1.00 N ATOM 870 CA PHE A 58 1.110 2.169 4.594 1.00 1.00 C ATOM 871 C PHE A 58 -0.094 1.315 4.222 1.00 1.00 C ATOM 872 O PHE A 58 -0.441 1.173 3.049 1.00 1.00 O ATOM 873 CB PHE A 58 0.701 3.649 4.727 1.00 1.00 C ATOM 874 CG PHE A 58 1.643 4.383 5.672 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.990 3.994 5.804 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.157 5.452 6.433 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.831 4.674 6.687 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.003 6.128 7.319 1.00 1.00 C ATOM 879 CZ PHE A 58 3.339 5.739 7.446 1.00 1.00 C ATOM 0 H PHE A 58 2.237 2.851 2.970 1.00 1.00 H new ATOM 0 HA PHE A 58 1.485 1.805 5.550 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.716 4.126 3.747 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.321 3.717 5.099 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.373 3.169 5.222 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.125 5.756 6.336 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.865 4.376 6.784 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.623 6.951 7.905 1.00 1.00 H new ATOM 0 HZ PHE A 58 3.991 6.261 8.130 1.00 1.00 H new ATOM 889 N LEU A 59 -0.751 0.783 5.250 1.00 1.00 N ATOM 890 CA LEU A 59 -1.950 -0.027 5.063 1.00 1.00 C ATOM 891 C LEU A 59 -3.126 0.696 5.696 1.00 1.00 C ATOM 892 O LEU A 59 -3.098 1.048 6.876 1.00 1.00 O ATOM 893 CB LEU A 59 -1.786 -1.410 5.707 1.00 1.00 C ATOM 894 CG LEU A 59 -2.957 -2.327 5.285 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.743 -2.871 3.861 1.00 1.00 C ATOM 896 CD2 LEU A 59 -3.062 -3.500 6.263 1.00 1.00 C ATOM 0 H LEU A 59 -0.471 0.899 6.224 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.121 -0.171 3.996 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -0.838 -1.853 5.403 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.760 -1.315 6.793 1.00 1.00 H new ATOM 0 HG LEU A 59 -3.877 -1.742 5.300 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -3.580 -3.513 3.587 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -2.679 -2.039 3.159 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -1.818 -3.446 3.827 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -3.887 -4.148 5.967 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.132 -4.068 6.251 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -3.242 -3.120 7.269 1.00 1.00 H new ATOM 908 N TYR A 60 -4.149 0.927 4.893 1.00 1.00 N ATOM 909 CA TYR A 60 -5.350 1.619 5.341 1.00 1.00 C ATOM 910 C TYR A 60 -6.549 0.693 5.216 1.00 1.00 C ATOM 911 O TYR A 60 -6.745 0.077 4.169 1.00 1.00 O ATOM 912 CB TYR A 60 -5.589 2.833 4.444 1.00 1.00 C ATOM 913 CG TYR A 60 -4.509 3.879 4.635 1.00 1.00 C ATOM 914 CD1 TYR A 60 -4.655 4.867 5.616 1.00 1.00 C ATOM 915 CD2 TYR A 60 -3.372 3.876 3.812 1.00 1.00 C ATOM 916 CE1 TYR A 60 -3.666 5.847 5.777 1.00 1.00 C ATOM 917 CE2 TYR A 60 -2.387 4.859 3.971 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.533 5.844 4.954 1.00 1.00 C ATOM 919 OH TYR A 60 -1.564 6.816 5.109 1.00 1.00 O ATOM 0 H TYR A 60 -4.174 0.642 3.914 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.222 1.927 6.379 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.613 2.518 3.401 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.563 3.268 4.668 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -5.530 4.874 6.249 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -3.256 3.114 3.055 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -3.778 6.606 6.537 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -1.514 4.857 3.335 1.00 1.00 H new ATOM 0 HH TYR A 60 -0.845 6.668 4.460 1.00 1.00 H new ATOM 929 N THR A 61 -7.375 0.606 6.256 1.00 1.00 N ATOM 930 CA THR A 61 -8.564 -0.241 6.179 1.00 1.00 C ATOM 931 C THR A 61 -9.717 0.609 5.705 1.00 1.00 C ATOM 932 O THR A 61 -9.626 1.825 5.709 1.00 1.00 O ATOM 933 CB THR A 61 -8.921 -0.865 7.534 1.00 1.00 C ATOM 934 OG1 THR A 61 -10.131 -1.598 7.400 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.105 0.227 8.586 1.00 1.00 C ATOM 0 H THR A 61 -7.249 1.097 7.141 1.00 1.00 H new ATOM 0 HA THR A 61 -8.360 -1.059 5.488 1.00 1.00 H new ATOM 0 HB THR A 61 -8.114 -1.526 7.849 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.366 -2.002 8.261 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.358 -0.229 9.543 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.180 0.794 8.688 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.909 0.896 8.279 1.00 1.00 H new ATOM 943 N HIS A 62 -10.802 -0.023 5.316 1.00 1.00 N ATOM 944 CA HIS A 62 -11.966 0.719 4.859 1.00 1.00 C ATOM 945 C HIS A 62 -13.214 -0.137 4.996 1.00 1.00 C ATOM 946 O HIS A 62 -13.131 -1.361 5.090 1.00 1.00 O ATOM 947 CB HIS A 62 -11.768 1.176 3.405 1.00 1.00 C ATOM 948 CG HIS A 62 -11.975 0.027 2.461 1.00 1.00 C ATOM 949 ND1 HIS A 62 -13.171 -0.168 1.791 1.00 1.00 N ATOM 950 CD2 HIS A 62 -11.150 -0.990 2.061 1.00 1.00 C ATOM 951 CE1 HIS A 62 -13.035 -1.265 1.029 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.820 -1.807 1.156 1.00 1.00 N ATOM 0 H HIS A 62 -10.907 -1.037 5.305 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.090 1.607 5.479 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.468 1.978 3.171 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.764 1.582 3.279 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -14.004 0.416 1.863 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -10.134 -1.136 2.397 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.812 -1.661 0.392 1.00 1.00 H new ATOM 960 N ARG A 63 -14.368 0.512 5.011 1.00 1.00 N ATOM 961 CA ARG A 63 -15.628 -0.209 5.143 1.00 1.00 C ATOM 962 C ARG A 63 -16.097 -0.698 3.791 1.00 1.00 C ATOM 963 O ARG A 63 -15.335 -0.727 2.824 1.00 1.00 O ATOM 964 CB ARG A 63 -16.709 0.688 5.740 1.00 1.00 C ATOM 965 CG ARG A 63 -16.264 1.143 7.118 1.00 1.00 C ATOM 966 CD ARG A 63 -17.325 2.040 7.754 1.00 1.00 C ATOM 967 NE ARG A 63 -18.562 1.326 8.005 1.00 1.00 N ATOM 968 CZ ARG A 63 -19.605 1.971 8.507 1.00 1.00 C ATOM 969 NH1 ARG A 63 -19.531 3.259 8.744 1.00 1.00 N ATOM 970 NH2 ARG A 63 -20.692 1.321 8.783 1.00 1.00 N ATOM 0 H ARG A 63 -14.460 1.525 4.934 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.456 -1.057 5.806 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.882 1.550 5.096 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.653 0.147 5.808 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.084 0.276 7.753 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.320 1.683 7.042 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -16.943 2.444 8.692 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.523 2.888 7.098 1.00 1.00 H new ATOM 0 HE ARG A 63 -18.629 0.330 7.796 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -18.669 3.766 8.542 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -20.335 3.753 9.130 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -20.742 0.316 8.614 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -21.497 1.814 9.170 1.00 1.00 H new ATOM 984 N ARG A 64 -17.361 -1.071 3.734 1.00 1.00 N ATOM 985 CA ARG A 64 -17.943 -1.551 2.501 1.00 1.00 C ATOM 986 C ARG A 64 -17.931 -0.449 1.457 1.00 1.00 C ATOM 987 O ARG A 64 -17.758 -0.716 0.268 1.00 1.00 O ATOM 988 CB ARG A 64 -19.378 -2.005 2.751 1.00 1.00 C ATOM 989 CG ARG A 64 -19.365 -3.161 3.746 1.00 1.00 C ATOM 990 CD ARG A 64 -20.803 -3.597 4.042 1.00 1.00 C ATOM 991 NE ARG A 64 -21.500 -2.552 4.786 1.00 1.00 N ATOM 992 CZ ARG A 64 -22.790 -2.667 5.093 1.00 1.00 C ATOM 993 NH1 ARG A 64 -23.458 -3.725 4.725 1.00 1.00 N ATOM 994 NH2 ARG A 64 -23.387 -1.719 5.760 1.00 1.00 N ATOM 0 H ARG A 64 -18.002 -1.050 4.527 1.00 1.00 H new ATOM 0 HA ARG A 64 -17.356 -2.394 2.136 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.972 -1.179 3.141 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -19.843 -2.318 1.816 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -18.796 -3.998 3.340 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -18.869 -2.856 4.668 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -21.328 -3.803 3.109 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.800 -4.523 4.617 1.00 1.00 H new ATOM 0 HE ARG A 64 -20.989 -1.718 5.076 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -22.992 -4.466 4.201 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -24.447 -3.812 4.961 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -22.865 -0.890 6.046 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -24.376 -1.806 5.996 1.00 1.00 H new ATOM 1008 N MET A 65 -18.129 0.796 1.898 1.00 1.00 N ATOM 1009 CA MET A 65 -18.151 1.923 0.971 1.00 1.00 C ATOM 1010 C MET A 65 -17.755 3.214 1.687 1.00 1.00 C ATOM 1011 O MET A 65 -18.337 4.270 1.444 1.00 1.00 O ATOM 1012 CB MET A 65 -19.558 2.078 0.382 1.00 1.00 C ATOM 1013 CG MET A 65 -20.591 1.879 1.493 1.00 1.00 C ATOM 1014 SD MET A 65 -22.210 2.458 0.924 1.00 1.00 S ATOM 1015 CE MET A 65 -23.020 2.522 2.542 1.00 1.00 C ATOM 0 H MET A 65 -18.274 1.044 2.877 1.00 1.00 H new ATOM 0 HA MET A 65 -17.436 1.730 0.171 1.00 1.00 H new ATOM 0 HB2 MET A 65 -19.672 3.066 -0.065 1.00 1.00 H new ATOM 0 HB3 MET A 65 -19.715 1.349 -0.413 1.00 1.00 H new ATOM 0 HG2 MET A 65 -20.646 0.826 1.769 1.00 1.00 H new ATOM 0 HG3 MET A 65 -20.290 2.427 2.386 1.00 1.00 H new ATOM 0 HE1 MET A 65 -24.049 2.861 2.421 1.00 1.00 H new ATOM 0 HE2 MET A 65 -23.016 1.529 2.990 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.483 3.215 3.190 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.783 3.127 2.584 1.00 1.00 N ATOM 1026 CA ALA A 66 -16.343 4.294 3.340 1.00 1.00 C ATOM 1027 C ALA A 66 -16.248 5.520 2.448 1.00 1.00 C ATOM 1028 O ALA A 66 -17.204 6.288 2.364 1.00 1.00 O ATOM 1029 CB ALA A 66 -14.976 3.981 3.940 1.00 1.00 C ATOM 0 H ALA A 66 -16.285 2.265 2.806 1.00 1.00 H new ATOM 0 HA ALA A 66 -17.067 4.513 4.125 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -14.624 4.840 4.511 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -15.057 3.116 4.598 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -14.269 3.763 3.140 1.00 1.00 H new ATOM 1035 N ILE A 67 -15.112 5.686 1.776 1.00 1.00 N ATOM 1036 CA ILE A 67 -14.904 6.819 0.873 1.00 1.00 C ATOM 1037 C ILE A 67 -14.997 8.152 1.637 1.00 1.00 C ATOM 1038 O ILE A 67 -14.248 9.092 1.374 1.00 1.00 O ATOM 1039 CB ILE A 67 -15.946 6.797 -0.253 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -15.843 5.486 -1.042 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -15.675 7.959 -1.196 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -17.035 5.366 -2.000 1.00 1.00 C ATOM 0 H ILE A 67 -14.318 5.049 1.839 1.00 1.00 H new ATOM 0 HA ILE A 67 -13.906 6.731 0.444 1.00 1.00 H new ATOM 0 HB ILE A 67 -16.943 6.879 0.179 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -14.909 5.460 -1.603 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -15.827 4.638 -0.357 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -16.410 7.953 -2.001 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -15.746 8.898 -0.646 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -14.675 7.860 -1.617 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -16.960 4.434 -2.560 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -17.963 5.372 -1.429 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -17.030 6.207 -2.694 1.00 1.00 H new ATOM 1054 N THR A 68 -15.968 8.206 2.541 1.00 1.00 N ATOM 1055 CA THR A 68 -16.272 9.386 3.341 1.00 1.00 C ATOM 1056 C THR A 68 -15.084 10.334 3.495 1.00 1.00 C ATOM 1057 O THR A 68 -15.208 11.530 3.224 1.00 1.00 O ATOM 1058 CB THR A 68 -16.784 8.954 4.723 1.00 1.00 C ATOM 1059 OG1 THR A 68 -16.653 10.030 5.637 1.00 1.00 O ATOM 1060 CG2 THR A 68 -15.984 7.760 5.237 1.00 1.00 C ATOM 0 H THR A 68 -16.579 7.414 2.742 1.00 1.00 H new ATOM 0 HA THR A 68 -17.043 9.941 2.807 1.00 1.00 H new ATOM 0 HB THR A 68 -17.832 8.669 4.633 1.00 1.00 H new ATOM 0 HG1 THR A 68 -15.781 9.977 6.082 1.00 1.00 H new ATOM 0 HG21 THR A 68 -16.359 7.466 6.217 1.00 1.00 H new ATOM 0 HG22 THR A 68 -16.089 6.926 4.543 1.00 1.00 H new ATOM 0 HG23 THR A 68 -14.932 8.034 5.318 1.00 1.00 H new ATOM 1068 N GLY A 69 -13.946 9.825 3.953 1.00 1.00 N ATOM 1069 CA GLY A 69 -12.767 10.665 4.155 1.00 1.00 C ATOM 1070 C GLY A 69 -12.109 10.317 5.479 1.00 1.00 C ATOM 1071 O GLY A 69 -10.929 10.584 5.683 1.00 1.00 O ATOM 0 H GLY A 69 -13.813 8.842 4.191 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -12.061 10.519 3.338 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -13.052 11.717 4.146 1.00 1.00 H new ATOM 1075 N ASP A 70 -12.889 9.711 6.375 1.00 1.00 N ATOM 1076 CA ASP A 70 -12.380 9.311 7.690 1.00 1.00 C ATOM 1077 C ASP A 70 -12.310 7.785 7.814 1.00 1.00 C ATOM 1078 O ASP A 70 -11.231 7.245 8.030 1.00 1.00 O ATOM 1079 CB ASP A 70 -13.265 9.883 8.795 1.00 1.00 C ATOM 1080 CG ASP A 70 -14.722 9.538 8.525 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.068 9.387 7.368 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -15.472 9.437 9.483 1.00 1.00 O ATOM 0 H ASP A 70 -13.871 9.487 6.217 1.00 1.00 H new ATOM 0 HA ASP A 70 -11.371 9.710 7.796 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -12.960 9.481 9.761 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -13.142 10.965 8.847 1.00 1.00 H new ATOM 1087 N ASP A 71 -13.480 7.117 7.766 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.557 5.670 7.950 1.00 1.00 C ATOM 1089 C ASP A 71 -12.275 4.967 7.576 1.00 1.00 C ATOM 1090 O ASP A 71 -11.893 3.973 8.199 1.00 1.00 O ATOM 1091 CB ASP A 71 -14.712 5.110 7.129 1.00 1.00 C ATOM 1092 CG ASP A 71 -15.946 5.100 7.998 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -15.983 4.274 8.891 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -16.832 5.885 7.750 1.00 1.00 O ATOM 0 H ASP A 71 -14.381 7.565 7.601 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.725 5.487 9.011 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -14.878 5.719 6.241 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -14.481 4.102 6.785 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.617 5.485 6.572 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.374 4.902 6.132 1.00 1.00 C ATOM 1101 C VAL A 72 -9.188 5.572 6.823 1.00 1.00 C ATOM 1102 O VAL A 72 -8.826 6.705 6.499 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.258 5.094 4.618 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -8.942 4.505 4.091 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -11.474 4.441 3.901 1.00 1.00 C ATOM 0 H VAL A 72 -11.918 6.305 6.045 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.363 3.842 6.386 1.00 1.00 H new ATOM 0 HB VAL A 72 -10.258 6.163 4.405 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -8.883 4.654 3.013 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -8.101 5.004 4.573 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -8.906 3.438 4.313 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -11.381 4.584 2.824 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -11.499 3.375 4.125 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -12.395 4.907 4.251 1.00 1.00 H new ATOM 1115 N SER A 73 -8.582 4.860 7.768 1.00 1.00 N ATOM 1116 CA SER A 73 -7.430 5.366 8.496 1.00 1.00 C ATOM 1117 C SER A 73 -6.430 4.223 8.686 1.00 1.00 C ATOM 1118 O SER A 73 -6.764 3.062 8.451 1.00 1.00 O ATOM 1119 CB SER A 73 -7.877 5.914 9.852 1.00 1.00 C ATOM 1120 OG SER A 73 -8.763 7.007 9.646 1.00 1.00 O ATOM 0 H SER A 73 -8.875 3.924 8.047 1.00 1.00 H new ATOM 0 HA SER A 73 -6.957 6.173 7.937 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.372 5.132 10.428 1.00 1.00 H new ATOM 0 HB3 SER A 73 -7.011 6.236 10.431 1.00 1.00 H new ATOM 0 HG SER A 73 -9.053 7.360 10.513 1.00 1.00 H new ATOM 1126 N LEU A 74 -5.192 4.552 9.036 1.00 1.00 N ATOM 1127 CA LEU A 74 -4.148 3.534 9.162 1.00 1.00 C ATOM 1128 C LEU A 74 -4.617 2.262 9.864 1.00 1.00 C ATOM 1129 O LEU A 74 -5.224 2.297 10.935 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.948 4.116 9.927 1.00 1.00 C ATOM 1131 CG LEU A 74 -2.086 4.957 8.983 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -1.108 5.798 9.815 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.307 4.033 8.006 1.00 1.00 C ATOM 0 H LEU A 74 -4.886 5.504 9.236 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.868 3.253 8.147 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -3.298 4.729 10.757 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.353 3.309 10.355 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.723 5.618 8.395 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.489 6.401 9.150 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.668 6.453 10.482 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.471 5.138 10.404 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.697 4.641 7.339 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.664 3.362 8.575 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.013 3.447 7.418 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.295 1.132 9.220 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.633 -0.201 9.724 1.00 1.00 C ATOM 1147 C ASP A 75 -3.368 -0.981 10.080 1.00 1.00 C ATOM 1148 O ASP A 75 -3.408 -1.878 10.923 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.405 -0.980 8.659 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.970 -2.265 9.260 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -6.144 -2.306 10.468 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -6.222 -3.190 8.506 1.00 1.00 O ATOM 0 H ASP A 75 -3.792 1.119 8.333 1.00 1.00 H new ATOM 0 HA ASP A 75 -5.245 -0.079 10.618 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.215 -0.367 8.264 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -4.748 -1.218 7.823 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.239 -0.629 9.454 1.00 1.00 N ATOM 1158 CA GLN A 76 -0.974 -1.307 9.744 1.00 1.00 C ATOM 1159 C GLN A 76 0.207 -0.488 9.207 1.00 1.00 C ATOM 1160 O GLN A 76 0.064 0.700 8.904 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.951 -2.733 9.144 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.173 -3.678 10.080 1.00 1.00 C ATOM 1163 CD GLN A 76 0.122 -4.999 9.379 1.00 1.00 C ATOM 1164 OE1 GLN A 76 -0.782 -5.630 8.833 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.346 -5.455 9.362 1.00 1.00 N ATOM 0 H GLN A 76 -2.176 0.110 8.754 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.882 -1.394 10.827 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.969 -3.097 9.008 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.485 -2.716 8.159 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.760 -3.207 10.389 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.752 -3.861 10.985 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.093 -4.929 9.816 1.00 1.00 H new ATOM 0 HE22 GLN A 76 1.555 -6.337 8.895 1.00 1.00 H new ATOM 1174 N ILE A 77 1.371 -1.134 9.084 1.00 1.00 N ATOM 1175 CA ILE A 77 2.581 -0.479 8.582 1.00 1.00 C ATOM 1176 C ILE A 77 3.533 -1.536 8.022 1.00 1.00 C ATOM 1177 O ILE A 77 3.821 -2.540 8.676 1.00 1.00 O ATOM 1178 CB ILE A 77 3.276 0.320 9.714 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.346 1.456 10.182 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.599 0.934 9.223 1.00 1.00 C ATOM 1181 CD1 ILE A 77 3.090 2.389 11.144 1.00 1.00 C ATOM 0 H ILE A 77 1.500 -2.116 9.327 1.00 1.00 H new ATOM 0 HA ILE A 77 2.307 0.219 7.791 1.00 1.00 H new ATOM 0 HB ILE A 77 3.488 -0.364 10.536 1.00 1.00 H new ATOM 0 HG12 ILE A 77 1.988 2.020 9.321 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.469 1.037 10.676 1.00 1.00 H new ATOM 0 HG21 ILE A 77 5.066 1.489 10.036 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.269 0.140 8.894 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.400 1.609 8.390 1.00 1.00 H new ATOM 0 HD11 ILE A 77 2.421 3.187 11.467 1.00 1.00 H new ATOM 0 HD12 ILE A 77 3.426 1.823 12.013 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.953 2.821 10.637 1.00 1.00 H new ATOM 1193 N VAL A 78 4.035 -1.290 6.814 1.00 1.00 N ATOM 1194 CA VAL A 78 4.974 -2.205 6.161 1.00 1.00 C ATOM 1195 C VAL A 78 6.122 -1.393 5.550 1.00 1.00 C ATOM 1196 O VAL A 78 5.996 -0.894 4.433 1.00 1.00 O ATOM 1197 CB VAL A 78 4.262 -2.997 5.057 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.108 -4.215 4.675 1.00 1.00 C ATOM 1199 CG2 VAL A 78 2.893 -3.464 5.558 1.00 1.00 C ATOM 0 H VAL A 78 3.807 -0.462 6.264 1.00 1.00 H new ATOM 0 HA VAL A 78 5.365 -2.905 6.899 1.00 1.00 H new ATOM 0 HB VAL A 78 4.128 -2.358 4.184 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.602 -4.778 3.891 1.00 1.00 H new ATOM 0 HG12 VAL A 78 6.081 -3.883 4.313 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.244 -4.852 5.549 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.390 -4.026 4.771 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.024 -4.101 6.433 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.289 -2.597 5.827 1.00 1.00 H new ATOM 1209 N PRO A 79 7.217 -1.218 6.254 1.00 1.00 N ATOM 1210 CA PRO A 79 8.363 -0.413 5.751 1.00 1.00 C ATOM 1211 C PRO A 79 9.282 -1.207 4.838 1.00 1.00 C ATOM 1212 O PRO A 79 9.609 -2.362 5.114 1.00 1.00 O ATOM 1213 CB PRO A 79 9.075 0.016 7.034 1.00 1.00 C ATOM 1214 CG PRO A 79 8.823 -1.097 8.012 1.00 1.00 C ATOM 1215 CD PRO A 79 7.499 -1.769 7.594 1.00 1.00 C ATOM 0 HA PRO A 79 8.041 0.426 5.134 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.142 0.158 6.864 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.683 0.963 7.405 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.642 -1.816 7.998 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.756 -0.710 9.029 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.596 -2.854 7.565 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.697 -1.539 8.296 1.00 1.00 H new ATOM 1223 N LEU A 80 9.684 -0.581 3.739 1.00 1.00 N ATOM 1224 CA LEU A 80 10.550 -1.232 2.777 1.00 1.00 C ATOM 1225 C LEU A 80 11.916 -1.522 3.382 1.00 1.00 C ATOM 1226 O LEU A 80 12.576 -0.643 3.939 1.00 1.00 O ATOM 1227 CB LEU A 80 10.708 -0.326 1.555 1.00 1.00 C ATOM 1228 CG LEU A 80 9.324 0.053 1.015 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.485 1.025 -0.157 1.00 1.00 C ATOM 1230 CD2 LEU A 80 8.580 -1.208 0.541 1.00 1.00 C ATOM 0 H LEU A 80 9.422 0.375 3.496 1.00 1.00 H new ATOM 0 HA LEU A 80 10.101 -2.181 2.484 1.00 1.00 H new ATOM 0 HB2 LEU A 80 11.263 0.572 1.825 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.284 -0.836 0.783 1.00 1.00 H new ATOM 0 HG LEU A 80 8.747 0.528 1.809 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.502 1.296 -0.543 1.00 1.00 H new ATOM 0 HD12 LEU A 80 10.001 1.923 0.183 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.066 0.549 -0.947 1.00 1.00 H new ATOM 0 HD21 LEU A 80 7.598 -0.929 0.159 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.153 -1.693 -0.250 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.462 -1.897 1.378 1.00 1.00 H new ATOM 1242 N SER A 81 12.320 -2.776 3.258 1.00 1.00 N ATOM 1243 CA SER A 81 13.602 -3.237 3.779 1.00 1.00 C ATOM 1244 C SER A 81 14.124 -4.386 2.927 1.00 1.00 C ATOM 1245 O SER A 81 13.472 -4.811 1.977 1.00 1.00 O ATOM 1246 CB SER A 81 13.453 -3.693 5.230 1.00 1.00 C ATOM 1247 OG SER A 81 12.363 -4.600 5.327 1.00 1.00 O ATOM 0 H SER A 81 11.773 -3.502 2.796 1.00 1.00 H new ATOM 0 HA SER A 81 14.312 -2.411 3.742 1.00 1.00 H new ATOM 0 HB2 SER A 81 14.371 -4.172 5.569 1.00 1.00 H new ATOM 0 HB3 SER A 81 13.284 -2.833 5.878 1.00 1.00 H new ATOM 0 HG SER A 81 12.265 -4.896 6.256 1.00 1.00 H new ATOM 1253 N LYS A 82 15.316 -4.867 3.245 1.00 1.00 N ATOM 1254 CA LYS A 82 15.916 -5.944 2.468 1.00 1.00 C ATOM 1255 C LYS A 82 14.953 -7.122 2.354 1.00 1.00 C ATOM 1256 O LYS A 82 14.768 -7.672 1.268 1.00 1.00 O ATOM 1257 CB LYS A 82 17.197 -6.406 3.147 1.00 1.00 C ATOM 1258 CG LYS A 82 18.202 -5.252 3.157 1.00 1.00 C ATOM 1259 CD LYS A 82 19.432 -5.636 3.991 1.00 1.00 C ATOM 1260 CE LYS A 82 20.373 -6.520 3.165 1.00 1.00 C ATOM 1261 NZ LYS A 82 21.615 -6.780 3.944 1.00 1.00 N ATOM 0 H LYS A 82 15.882 -4.535 4.026 1.00 1.00 H new ATOM 0 HA LYS A 82 16.138 -5.572 1.468 1.00 1.00 H new ATOM 0 HB2 LYS A 82 16.987 -6.730 4.166 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.614 -7.264 2.619 1.00 1.00 H new ATOM 0 HG2 LYS A 82 18.504 -5.013 2.137 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.737 -4.357 3.570 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.956 -4.737 4.315 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.120 -6.165 4.891 1.00 1.00 H new ATOM 0 HE2 LYS A 82 19.882 -7.461 2.917 1.00 1.00 H new ATOM 0 HE3 LYS A 82 20.617 -6.030 2.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 22.256 -7.380 3.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 22.085 -5.878 4.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 21.373 -7.264 4.832 1.00 1.00 H new ATOM 1275 N ASP A 83 14.345 -7.510 3.468 1.00 1.00 N ATOM 1276 CA ASP A 83 13.411 -8.628 3.461 1.00 1.00 C ATOM 1277 C ASP A 83 12.240 -8.330 2.524 1.00 1.00 C ATOM 1278 O ASP A 83 11.700 -9.232 1.884 1.00 1.00 O ATOM 1279 CB ASP A 83 12.894 -8.877 4.882 1.00 1.00 C ATOM 1280 CG ASP A 83 13.976 -9.543 5.731 1.00 1.00 C ATOM 1281 OD1 ASP A 83 14.941 -10.023 5.159 1.00 1.00 O ATOM 1282 OD2 ASP A 83 13.823 -9.563 6.941 1.00 1.00 O ATOM 0 H ASP A 83 14.480 -7.072 4.379 1.00 1.00 H new ATOM 0 HA ASP A 83 13.926 -9.520 3.105 1.00 1.00 H new ATOM 0 HB2 ASP A 83 12.594 -7.933 5.338 1.00 1.00 H new ATOM 0 HB3 ASP A 83 12.008 -9.510 4.848 1.00 1.00 H new ATOM 1287 N PHE A 84 11.866 -7.056 2.438 1.00 1.00 N ATOM 1288 CA PHE A 84 10.770 -6.650 1.563 1.00 1.00 C ATOM 1289 C PHE A 84 11.092 -7.048 0.126 1.00 1.00 C ATOM 1290 O PHE A 84 12.205 -6.832 -0.357 1.00 1.00 O ATOM 1291 CB PHE A 84 10.561 -5.133 1.653 1.00 1.00 C ATOM 1292 CG PHE A 84 9.210 -4.749 1.083 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.018 -4.718 -0.304 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.157 -4.401 1.940 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.775 -4.339 -0.831 1.00 1.00 C ATOM 1296 CE2 PHE A 84 6.915 -4.028 1.414 1.00 1.00 C ATOM 1297 CZ PHE A 84 6.724 -3.996 0.029 1.00 1.00 C ATOM 0 H PHE A 84 12.301 -6.294 2.958 1.00 1.00 H new ATOM 0 HA PHE A 84 9.854 -7.149 1.878 1.00 1.00 H new ATOM 0 HB2 PHE A 84 10.629 -4.812 2.692 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.352 -4.618 1.108 1.00 1.00 H new ATOM 0 HD1 PHE A 84 9.827 -4.986 -0.967 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.305 -4.421 3.010 1.00 1.00 H new ATOM 0 HE1 PHE A 84 7.628 -4.312 -1.901 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.104 -3.765 2.077 1.00 1.00 H new ATOM 0 HZ PHE A 84 5.766 -3.707 -0.377 1.00 1.00 H new ATOM 1307 N MET A 85 10.105 -7.613 -0.554 1.00 1.00 N ATOM 1308 CA MET A 85 10.270 -8.022 -1.946 1.00 1.00 C ATOM 1309 C MET A 85 8.917 -8.343 -2.568 1.00 1.00 C ATOM 1310 O MET A 85 8.100 -9.038 -1.967 1.00 1.00 O ATOM 1311 CB MET A 85 11.189 -9.245 -2.046 1.00 1.00 C ATOM 1312 CG MET A 85 11.399 -9.601 -3.521 1.00 1.00 C ATOM 1313 SD MET A 85 12.635 -10.916 -3.666 1.00 1.00 S ATOM 1314 CE MET A 85 11.667 -12.238 -2.897 1.00 1.00 C ATOM 0 H MET A 85 9.180 -7.800 -0.166 1.00 1.00 H new ATOM 0 HA MET A 85 10.726 -7.195 -2.491 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.147 -9.034 -1.571 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.749 -10.089 -1.515 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.457 -9.925 -3.964 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.725 -8.720 -4.074 1.00 1.00 H new ATOM 0 HE1 MET A 85 12.075 -12.462 -1.911 1.00 1.00 H new ATOM 0 HE2 MET A 85 10.630 -11.918 -2.796 1.00 1.00 H new ATOM 0 HE3 MET A 85 11.712 -13.131 -3.520 1.00 1.00 H new ATOM 1324 N LEU A 86 8.684 -7.845 -3.778 1.00 1.00 N ATOM 1325 CA LEU A 86 7.423 -8.098 -4.470 1.00 1.00 C ATOM 1326 C LEU A 86 7.570 -9.350 -5.327 1.00 1.00 C ATOM 1327 O LEU A 86 8.399 -9.389 -6.236 1.00 1.00 O ATOM 1328 CB LEU A 86 7.065 -6.889 -5.366 1.00 1.00 C ATOM 1329 CG LEU A 86 8.356 -6.185 -5.845 1.00 1.00 C ATOM 1330 CD1 LEU A 86 8.102 -5.498 -7.194 1.00 1.00 C ATOM 1331 CD2 LEU A 86 8.807 -5.130 -4.815 1.00 1.00 C ATOM 0 H LEU A 86 9.346 -7.268 -4.297 1.00 1.00 H new ATOM 0 HA LEU A 86 6.627 -8.244 -3.740 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.483 -7.222 -6.225 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.442 -6.187 -4.812 1.00 1.00 H new ATOM 0 HG LEU A 86 9.140 -6.934 -5.955 1.00 1.00 H new ATOM 0 HD11 LEU A 86 9.014 -5.003 -7.528 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.803 -6.243 -7.931 1.00 1.00 H new ATOM 0 HD13 LEU A 86 7.308 -4.759 -7.082 1.00 1.00 H new ATOM 0 HD21 LEU A 86 9.717 -4.644 -5.167 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.022 -4.384 -4.690 1.00 1.00 H new ATOM 0 HD23 LEU A 86 9.002 -5.615 -3.859 1.00 1.00 H new ATOM 1343 N GLU A 87 6.770 -10.378 -5.036 1.00 1.00 N ATOM 1344 CA GLU A 87 6.837 -11.628 -5.795 1.00 1.00 C ATOM 1345 C GLU A 87 5.598 -11.804 -6.659 1.00 1.00 C ATOM 1346 O GLU A 87 4.480 -11.909 -6.154 1.00 1.00 O ATOM 1347 CB GLU A 87 6.950 -12.820 -4.843 1.00 1.00 C ATOM 1348 CG GLU A 87 8.290 -12.761 -4.108 1.00 1.00 C ATOM 1349 CD GLU A 87 8.434 -13.968 -3.188 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.546 -14.805 -3.197 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.429 -14.037 -2.485 1.00 1.00 O ATOM 0 H GLU A 87 6.076 -10.371 -4.289 1.00 1.00 H new ATOM 0 HA GLU A 87 7.717 -11.582 -6.436 1.00 1.00 H new ATOM 0 HB2 GLU A 87 6.129 -12.805 -4.126 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.870 -13.753 -5.401 1.00 1.00 H new ATOM 0 HG2 GLU A 87 9.108 -12.742 -4.828 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.355 -11.841 -3.527 1.00 1.00 H new ATOM 1358 N GLU A 88 5.812 -11.863 -7.965 1.00 1.00 N ATOM 1359 CA GLU A 88 4.713 -12.059 -8.895 1.00 1.00 C ATOM 1360 C GLU A 88 4.167 -13.473 -8.733 1.00 1.00 C ATOM 1361 O GLU A 88 4.922 -14.403 -8.454 1.00 1.00 O ATOM 1362 CB GLU A 88 5.194 -11.854 -10.335 1.00 1.00 C ATOM 1363 CG GLU A 88 5.541 -10.380 -10.559 1.00 1.00 C ATOM 1364 CD GLU A 88 6.092 -10.183 -11.969 1.00 1.00 C ATOM 1365 OE1 GLU A 88 6.194 -11.164 -12.686 1.00 1.00 O ATOM 1366 OE2 GLU A 88 6.402 -9.053 -12.311 1.00 1.00 O ATOM 0 H GLU A 88 6.730 -11.779 -8.401 1.00 1.00 H new ATOM 0 HA GLU A 88 3.928 -11.333 -8.682 1.00 1.00 H new ATOM 0 HB2 GLU A 88 6.067 -12.477 -10.529 1.00 1.00 H new ATOM 0 HB3 GLU A 88 4.419 -12.165 -11.035 1.00 1.00 H new ATOM 0 HG2 GLU A 88 4.654 -9.763 -10.417 1.00 1.00 H new ATOM 0 HG3 GLU A 88 6.277 -10.055 -9.823 1.00 1.00 H new ATOM 1373 N VAL A 89 2.860 -13.643 -8.923 1.00 1.00 N ATOM 1374 CA VAL A 89 2.245 -14.969 -8.809 1.00 1.00 C ATOM 1375 C VAL A 89 2.001 -15.554 -10.197 1.00 1.00 C ATOM 1376 O VAL A 89 1.534 -14.860 -11.101 1.00 1.00 O ATOM 1377 CB VAL A 89 0.917 -14.882 -8.066 1.00 1.00 C ATOM 1378 CG1 VAL A 89 0.461 -16.286 -7.661 1.00 1.00 C ATOM 1379 CG2 VAL A 89 1.081 -14.012 -6.818 1.00 1.00 C ATOM 0 H VAL A 89 2.211 -12.891 -9.154 1.00 1.00 H new ATOM 0 HA VAL A 89 2.926 -15.613 -8.252 1.00 1.00 H new ATOM 0 HB VAL A 89 0.167 -14.435 -8.719 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.489 -16.221 -7.130 1.00 1.00 H new ATOM 0 HG12 VAL A 89 0.337 -16.900 -8.553 1.00 1.00 H new ATOM 0 HG13 VAL A 89 1.210 -16.738 -7.011 1.00 1.00 H new ATOM 0 HG21 VAL A 89 0.130 -13.952 -6.289 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.833 -14.453 -6.163 1.00 1.00 H new ATOM 0 HG23 VAL A 89 1.397 -13.011 -7.111 1.00 1.00 H new ATOM 1389 N SER A 90 2.323 -16.830 -10.352 1.00 1.00 N ATOM 1390 CA SER A 90 2.148 -17.520 -11.633 1.00 1.00 C ATOM 1391 C SER A 90 0.853 -17.061 -12.333 1.00 1.00 C ATOM 1392 O SER A 90 -0.234 -17.252 -11.788 1.00 1.00 O ATOM 1393 CB SER A 90 2.081 -19.029 -11.394 1.00 1.00 C ATOM 1394 OG SER A 90 3.299 -19.464 -10.803 1.00 1.00 O ATOM 0 H SER A 90 2.708 -17.414 -9.609 1.00 1.00 H new ATOM 0 HA SER A 90 2.996 -17.278 -12.273 1.00 1.00 H new ATOM 0 HB2 SER A 90 1.241 -19.269 -10.742 1.00 1.00 H new ATOM 0 HB3 SER A 90 1.913 -19.551 -12.336 1.00 1.00 H new ATOM 0 HG SER A 90 3.260 -20.431 -10.646 1.00 1.00 H new ATOM 1533 N SER A 100 -8.360 -6.897 -15.511 1.00 1.00 N ATOM 1534 CA SER A 100 -8.685 -6.005 -14.404 1.00 1.00 C ATOM 1535 C SER A 100 -8.563 -6.756 -13.087 1.00 1.00 C ATOM 1536 O SER A 100 -9.429 -6.659 -12.219 1.00 1.00 O ATOM 1537 CB SER A 100 -10.097 -5.440 -14.580 1.00 1.00 C ATOM 1538 OG SER A 100 -10.189 -4.802 -15.849 1.00 1.00 O ATOM 0 HA SER A 100 -7.984 -5.171 -14.395 1.00 1.00 H new ATOM 0 HB2 SER A 100 -10.834 -6.240 -14.507 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.319 -4.729 -13.785 1.00 1.00 H new ATOM 0 HG SER A 100 -9.688 -5.320 -16.513 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.468 -7.504 -12.955 1.00 1.00 N ATOM 1545 CA ASP A 101 -7.197 -8.289 -11.752 1.00 1.00 C ATOM 1546 C ASP A 101 -5.691 -8.502 -11.598 1.00 1.00 C ATOM 1547 O ASP A 101 -5.190 -9.604 -11.812 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.892 -9.657 -11.842 1.00 1.00 C ATOM 1549 CG ASP A 101 -9.391 -9.523 -11.585 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -9.781 -8.573 -10.929 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -10.129 -10.376 -12.052 1.00 1.00 O ATOM 0 H ASP A 101 -6.749 -7.583 -13.674 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.581 -7.745 -10.889 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.725 -10.090 -12.828 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -7.454 -10.341 -11.115 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.973 -7.443 -11.230 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.522 -7.533 -11.059 1.00 1.00 C ATOM 1558 C VAL A 102 -3.189 -8.441 -9.896 1.00 1.00 C ATOM 1559 O VAL A 102 -3.804 -8.348 -8.849 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.935 -6.153 -10.808 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.428 -6.264 -10.564 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -3.196 -5.284 -12.030 1.00 1.00 C ATOM 0 H VAL A 102 -5.366 -6.520 -11.046 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.092 -7.945 -11.972 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.400 -5.708 -9.928 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -1.014 -5.272 -10.385 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.246 -6.895 -9.694 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -0.949 -6.704 -11.439 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.780 -4.290 -11.865 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -2.725 -5.734 -12.904 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.270 -5.205 -12.198 1.00 1.00 H new ATOM 1572 N THR A 103 -2.210 -9.319 -10.083 1.00 1.00 N ATOM 1573 CA THR A 103 -1.814 -10.244 -9.015 1.00 1.00 C ATOM 1574 C THR A 103 -0.447 -9.869 -8.458 1.00 1.00 C ATOM 1575 O THR A 103 0.576 -9.984 -9.134 1.00 1.00 O ATOM 1576 CB THR A 103 -1.785 -11.683 -9.546 1.00 1.00 C ATOM 1577 OG1 THR A 103 -2.909 -11.897 -10.387 1.00 1.00 O ATOM 1578 CG2 THR A 103 -1.840 -12.671 -8.376 1.00 1.00 C ATOM 0 H THR A 103 -1.680 -9.414 -10.949 1.00 1.00 H new ATOM 0 HA THR A 103 -2.547 -10.174 -8.212 1.00 1.00 H new ATOM 0 HB THR A 103 -0.864 -11.838 -10.109 1.00 1.00 H new ATOM 0 HG1 THR A 103 -2.892 -12.815 -10.729 1.00 1.00 H new ATOM 0 HG21 THR A 103 -1.819 -13.691 -8.760 1.00 1.00 H new ATOM 0 HG22 THR A 103 -0.981 -12.511 -7.724 1.00 1.00 H new ATOM 0 HG23 THR A 103 -2.759 -12.515 -7.811 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.453 -9.422 -7.205 1.00 1.00 N ATOM 1587 CA VAL A 104 0.762 -9.020 -6.501 1.00 1.00 C ATOM 1588 C VAL A 104 0.789 -9.669 -5.118 1.00 1.00 C ATOM 1589 O VAL A 104 -0.213 -9.667 -4.404 1.00 1.00 O ATOM 1590 CB VAL A 104 0.808 -7.485 -6.387 1.00 1.00 C ATOM 1591 CG1 VAL A 104 1.841 -7.061 -5.336 1.00 1.00 C ATOM 1592 CG2 VAL A 104 1.199 -6.891 -7.747 1.00 1.00 C ATOM 0 H VAL A 104 -1.302 -9.328 -6.648 1.00 1.00 H new ATOM 0 HA VAL A 104 1.639 -9.352 -7.057 1.00 1.00 H new ATOM 0 HB VAL A 104 -0.174 -7.121 -6.087 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.863 -5.973 -5.266 1.00 1.00 H new ATOM 0 HG12 VAL A 104 1.569 -7.482 -4.368 1.00 1.00 H new ATOM 0 HG13 VAL A 104 2.826 -7.426 -5.626 1.00 1.00 H new ATOM 0 HG21 VAL A 104 1.233 -5.804 -7.673 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.180 -7.266 -8.039 1.00 1.00 H new ATOM 0 HG23 VAL A 104 0.462 -7.181 -8.496 1.00 1.00 H new ATOM 1602 N GLN A 105 1.943 -10.222 -4.750 1.00 1.00 N ATOM 1603 CA GLN A 105 2.100 -10.879 -3.447 1.00 1.00 C ATOM 1604 C GLN A 105 3.225 -10.225 -2.647 1.00 1.00 C ATOM 1605 O GLN A 105 4.383 -10.264 -3.060 1.00 1.00 O ATOM 1606 CB GLN A 105 2.417 -12.368 -3.665 1.00 1.00 C ATOM 1607 CG GLN A 105 2.084 -13.167 -2.399 1.00 1.00 C ATOM 1608 CD GLN A 105 3.034 -12.780 -1.272 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.218 -13.106 -1.320 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.584 -12.095 -0.256 1.00 1.00 N ATOM 0 H GLN A 105 2.782 -10.230 -5.330 1.00 1.00 H new ATOM 0 HA GLN A 105 1.172 -10.776 -2.885 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.842 -12.751 -4.508 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.471 -12.491 -3.916 1.00 1.00 H new ATOM 0 HG2 GLN A 105 1.054 -12.975 -2.099 1.00 1.00 H new ATOM 0 HG3 GLN A 105 2.164 -14.235 -2.602 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.601 -11.825 -0.218 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.215 -11.829 0.500 1.00 1.00 H new ATOM 1619 N LEU A 106 2.882 -9.602 -1.516 1.00 1.00 N ATOM 1620 CA LEU A 106 3.887 -8.927 -0.690 1.00 1.00 C ATOM 1621 C LEU A 106 4.597 -9.917 0.229 1.00 1.00 C ATOM 1622 O LEU A 106 3.972 -10.549 1.068 1.00 1.00 O ATOM 1623 CB LEU A 106 3.200 -7.866 0.167 1.00 1.00 C ATOM 1624 CG LEU A 106 2.371 -6.934 -0.723 1.00 1.00 C ATOM 1625 CD1 LEU A 106 1.631 -5.922 0.159 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.292 -6.194 -1.704 1.00 1.00 C ATOM 0 H LEU A 106 1.929 -9.551 -1.155 1.00 1.00 H new ATOM 0 HA LEU A 106 4.625 -8.471 -1.350 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.557 -8.344 0.907 1.00 1.00 H new ATOM 0 HB3 LEU A 106 3.945 -7.291 0.716 1.00 1.00 H new ATOM 0 HG LEU A 106 1.649 -7.520 -1.291 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.039 -5.256 -0.469 1.00 1.00 H new ATOM 0 HD12 LEU A 106 0.972 -6.452 0.847 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.354 -5.337 0.727 1.00 1.00 H new ATOM 0 HD21 LEU A 106 2.697 -5.533 -2.334 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.020 -5.605 -1.146 1.00 1.00 H new ATOM 0 HD23 LEU A 106 3.814 -6.918 -2.329 1.00 1.00 H new ATOM 1638 N ASN A 107 5.907 -10.058 0.036 1.00 1.00 N ATOM 1639 CA ASN A 107 6.697 -11.005 0.842 1.00 1.00 C ATOM 1640 C ASN A 107 7.606 -10.309 1.849 1.00 1.00 C ATOM 1641 O ASN A 107 8.827 -10.437 1.778 1.00 1.00 O ATOM 1642 CB ASN A 107 7.549 -11.877 -0.071 1.00 1.00 C ATOM 1643 CG ASN A 107 6.718 -12.336 -1.254 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.533 -13.535 -1.462 1.00 1.00 O ATOM 1645 ND2 ASN A 107 6.191 -11.443 -2.038 1.00 1.00 N ATOM 0 H ASN A 107 6.444 -9.540 -0.660 1.00 1.00 H new ATOM 0 HA ASN A 107 5.984 -11.611 1.401 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.418 -11.318 -0.419 1.00 1.00 H new ATOM 0 HB3 ASN A 107 7.925 -12.740 0.479 1.00 1.00 H new ATOM 0 HD21 ASN A 107 5.620 -11.734 -2.831 1.00 1.00 H new ATOM 0 HD22 ASN A 107 6.348 -10.451 -1.860 1.00 1.00 H new ATOM 1652 N THR A 108 7.017 -9.592 2.802 1.00 1.00 N ATOM 1653 CA THR A 108 7.819 -8.919 3.816 1.00 1.00 C ATOM 1654 C THR A 108 8.341 -9.936 4.827 1.00 1.00 C ATOM 1655 O THR A 108 8.005 -11.120 4.768 1.00 1.00 O ATOM 1656 CB THR A 108 6.993 -7.832 4.537 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.001 -7.333 3.653 1.00 1.00 O ATOM 1658 CG2 THR A 108 7.892 -6.672 4.997 1.00 1.00 C ATOM 0 H THR A 108 6.009 -9.464 2.893 1.00 1.00 H new ATOM 0 HA THR A 108 8.663 -8.437 3.323 1.00 1.00 H new ATOM 0 HB THR A 108 6.526 -8.278 5.415 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.224 -6.414 3.396 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.286 -5.920 5.502 1.00 1.00 H new ATOM 0 HG22 THR A 108 8.649 -7.049 5.684 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.379 -6.224 4.131 1.00 1.00 H new ATOM 1666 N ALA A 109 9.184 -9.464 5.731 1.00 1.00 N ATOM 1667 CA ALA A 109 9.782 -10.327 6.740 1.00 1.00 C ATOM 1668 C ALA A 109 8.725 -11.030 7.591 1.00 1.00 C ATOM 1669 O ALA A 109 8.889 -12.199 7.944 1.00 1.00 O ATOM 1670 CB ALA A 109 10.687 -9.495 7.646 1.00 1.00 C ATOM 0 H ALA A 109 9.471 -8.487 5.788 1.00 1.00 H new ATOM 0 HA ALA A 109 10.359 -11.094 6.223 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.136 -10.139 8.402 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.474 -9.033 7.049 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.098 -8.718 8.134 1.00 1.00 H new ATOM 1676 N GLU A 110 7.647 -10.322 7.931 1.00 1.00 N ATOM 1677 CA GLU A 110 6.580 -10.902 8.755 1.00 1.00 C ATOM 1678 C GLU A 110 5.217 -10.615 8.143 1.00 1.00 C ATOM 1679 O GLU A 110 4.204 -10.603 8.842 1.00 1.00 O ATOM 1680 CB GLU A 110 6.639 -10.305 10.165 1.00 1.00 C ATOM 1681 CG GLU A 110 6.225 -8.830 10.121 1.00 1.00 C ATOM 1682 CD GLU A 110 6.499 -8.177 11.472 1.00 1.00 C ATOM 1683 OE1 GLU A 110 6.804 -8.899 12.407 1.00 1.00 O ATOM 1684 OE2 GLU A 110 6.396 -6.963 11.552 1.00 1.00 O ATOM 0 H GLU A 110 7.488 -9.354 7.652 1.00 1.00 H new ATOM 0 HA GLU A 110 6.725 -11.981 8.803 1.00 1.00 H new ATOM 0 HB2 GLU A 110 5.978 -10.858 10.832 1.00 1.00 H new ATOM 0 HB3 GLU A 110 7.648 -10.397 10.567 1.00 1.00 H new ATOM 0 HG2 GLU A 110 6.777 -8.311 9.337 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.167 -8.747 9.874 1.00 1.00 H new ATOM 1691 N LEU A 111 5.193 -10.391 6.836 1.00 1.00 N ATOM 1692 CA LEU A 111 3.937 -10.108 6.147 1.00 1.00 C ATOM 1693 C LEU A 111 3.893 -10.888 4.845 1.00 1.00 C ATOM 1694 O LEU A 111 4.797 -10.796 4.013 1.00 1.00 O ATOM 1695 CB LEU A 111 3.823 -8.596 5.872 1.00 1.00 C ATOM 1696 CG LEU A 111 2.350 -8.163 5.751 1.00 1.00 C ATOM 1697 CD1 LEU A 111 2.278 -6.630 5.798 1.00 1.00 C ATOM 1698 CD2 LEU A 111 1.742 -8.673 4.431 1.00 1.00 C ATOM 0 H LEU A 111 6.018 -10.399 6.236 1.00 1.00 H new ATOM 0 HA LEU A 111 3.097 -10.411 6.772 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.304 -8.040 6.677 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.354 -8.350 4.953 1.00 1.00 H new ATOM 0 HG LEU A 111 1.781 -8.590 6.577 1.00 1.00 H new ATOM 0 HD11 LEU A 111 1.239 -6.312 5.713 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.690 -6.275 6.743 1.00 1.00 H new ATOM 0 HD13 LEU A 111 2.854 -6.213 4.972 1.00 1.00 H new ATOM 0 HD21 LEU A 111 0.701 -8.357 4.364 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.301 -8.262 3.590 1.00 1.00 H new ATOM 0 HD23 LEU A 111 1.793 -9.761 4.403 1.00 1.00 H new ATOM 1710 N LYS A 112 2.819 -11.636 4.668 1.00 1.00 N ATOM 1711 CA LYS A 112 2.625 -12.421 3.451 1.00 1.00 C ATOM 1712 C LYS A 112 1.150 -12.456 3.089 1.00 1.00 C ATOM 1713 O LYS A 112 0.358 -13.137 3.736 1.00 1.00 O ATOM 1714 CB LYS A 112 3.165 -13.848 3.628 1.00 1.00 C ATOM 1715 CG LYS A 112 3.476 -14.458 2.253 1.00 1.00 C ATOM 1716 CD LYS A 112 4.142 -15.820 2.432 1.00 1.00 C ATOM 1717 CE LYS A 112 4.497 -16.391 1.060 1.00 1.00 C ATOM 1718 NZ LYS A 112 5.193 -17.696 1.236 1.00 1.00 N ATOM 0 H LYS A 112 2.064 -11.720 5.349 1.00 1.00 H new ATOM 0 HA LYS A 112 3.180 -11.948 2.641 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.066 -13.833 4.242 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.432 -14.462 4.152 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.558 -14.565 1.676 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.131 -13.794 1.690 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.040 -15.721 3.041 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.472 -16.499 2.959 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.594 -16.525 0.464 1.00 1.00 H new ATOM 0 HE3 LYS A 112 5.137 -15.695 0.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 5.436 -18.088 0.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 6.062 -17.554 1.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.567 -18.358 1.737 1.00 1.00 H new ATOM 1732 N LEU A 113 0.793 -11.703 2.053 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.598 -11.627 1.599 1.00 1.00 C ATOM 1734 C LEU A 113 -0.666 -11.508 0.083 1.00 1.00 C ATOM 1735 O LEU A 113 0.338 -11.243 -0.579 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.299 -10.417 2.235 1.00 1.00 C ATOM 1737 CG LEU A 113 -1.520 -10.654 3.737 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -2.074 -9.383 4.406 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -2.485 -11.845 3.961 1.00 1.00 C ATOM 0 H LEU A 113 1.444 -11.136 1.510 1.00 1.00 H new ATOM 0 HA LEU A 113 -1.103 -12.543 1.905 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.697 -9.521 2.087 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -2.256 -10.243 1.743 1.00 1.00 H new ATOM 0 HG LEU A 113 -0.560 -10.896 4.193 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.225 -9.568 5.470 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -1.365 -8.565 4.277 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.025 -9.115 3.946 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.631 -11.999 5.030 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.445 -11.629 3.492 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -2.060 -12.746 3.519 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.869 -11.690 -0.457 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.092 -11.589 -1.905 1.00 1.00 C ATOM 1753 C VAL A 114 -3.130 -10.507 -2.184 1.00 1.00 C ATOM 1754 O VAL A 114 -4.273 -10.610 -1.735 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.603 -12.932 -2.456 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.031 -12.767 -3.921 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.496 -13.987 -2.368 1.00 1.00 C ATOM 0 H VAL A 114 -2.707 -11.908 0.083 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.150 -11.335 -2.392 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.459 -13.253 -1.862 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.392 -13.722 -4.304 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -3.827 -12.026 -3.986 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.178 -12.437 -4.514 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -1.865 -14.935 -2.760 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.636 -13.662 -2.954 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.198 -14.116 -1.327 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.735 -9.466 -2.923 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.650 -8.367 -3.248 1.00 1.00 C ATOM 1769 C PHE A 115 -4.007 -8.375 -4.733 1.00 1.00 C ATOM 1770 O PHE A 115 -3.143 -8.547 -5.593 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.017 -7.016 -2.887 1.00 1.00 C ATOM 1772 CG PHE A 115 -2.969 -6.861 -1.385 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -4.069 -6.328 -0.698 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -1.831 -7.260 -0.678 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -4.030 -6.200 0.693 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -1.788 -7.126 0.715 1.00 1.00 C ATOM 1777 CZ PHE A 115 -2.885 -6.599 1.403 1.00 1.00 C ATOM 0 H PHE A 115 -1.795 -9.361 -3.305 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.559 -8.509 -2.664 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.011 -6.953 -3.301 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.595 -6.204 -3.328 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -4.947 -6.016 -1.244 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -0.984 -7.672 -1.207 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -4.880 -5.795 1.222 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -0.906 -7.430 1.259 1.00 1.00 H new ATOM 0 HZ PHE A 115 -2.852 -6.499 2.478 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.294 -8.173 -5.018 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.794 -8.140 -6.396 1.00 1.00 C ATOM 1789 C GLN A 116 -6.160 -6.713 -6.800 1.00 1.00 C ATOM 1790 O GLN A 116 -7.315 -6.304 -6.682 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.020 -9.045 -6.543 1.00 1.00 C ATOM 1792 CG GLN A 116 -6.585 -10.512 -6.556 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.010 -10.881 -7.922 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.663 -12.039 -8.157 1.00 1.00 O ATOM 1795 NE2 GLN A 116 -5.889 -9.962 -8.843 1.00 1.00 N ATOM 0 H GLN A 116 -6.014 -8.029 -4.310 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.002 -8.503 -7.052 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.713 -8.869 -5.720 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.551 -8.806 -7.464 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -5.838 -10.684 -5.781 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.436 -11.153 -6.327 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -6.177 -9.003 -8.648 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -5.507 -10.204 -9.757 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.171 -5.961 -7.272 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.392 -4.574 -7.686 1.00 1.00 C ATOM 1806 C LEU A 117 -5.955 -4.537 -9.124 1.00 1.00 C ATOM 1807 O LEU A 117 -5.708 -5.455 -9.903 1.00 1.00 O ATOM 1808 CB LEU A 117 -4.062 -3.794 -7.612 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.212 -4.312 -6.438 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.896 -3.533 -6.370 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -3.988 -4.130 -5.128 1.00 1.00 C ATOM 0 H LEU A 117 -4.210 -6.285 -7.378 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.115 -4.108 -7.017 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.513 -3.906 -8.547 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.262 -2.730 -7.485 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.994 -5.370 -6.587 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.297 -3.903 -5.538 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.345 -3.667 -7.301 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.107 -2.474 -6.223 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.387 -4.496 -4.295 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.208 -3.073 -4.979 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -4.921 -4.691 -5.177 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.701 -3.514 -9.499 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.280 -3.416 -10.877 1.00 1.00 C ATOM 1825 C PRO A 118 -6.251 -2.919 -11.897 1.00 1.00 C ATOM 1826 O PRO A 118 -5.663 -1.852 -11.737 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.429 -2.421 -10.707 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.989 -1.517 -9.599 1.00 1.00 C ATOM 1829 CD PRO A 118 -7.080 -2.350 -8.675 1.00 1.00 C ATOM 0 HA PRO A 118 -7.606 -4.381 -11.265 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.608 -1.863 -11.626 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.360 -2.930 -10.457 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -7.452 -0.655 -9.994 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.849 -1.132 -9.050 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.204 -1.782 -8.360 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.604 -2.656 -7.770 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.028 -3.724 -12.931 1.00 1.00 N ATOM 1838 CA PHE A 119 -5.049 -3.423 -13.979 1.00 1.00 C ATOM 1839 C PHE A 119 -5.333 -2.125 -14.722 1.00 1.00 C ATOM 1840 O PHE A 119 -6.484 -1.723 -14.902 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.034 -4.576 -14.982 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.043 -4.295 -16.087 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -2.673 -4.296 -15.807 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.490 -4.051 -17.393 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -1.750 -4.052 -16.827 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.566 -3.804 -18.415 1.00 1.00 C ATOM 1847 CZ PHE A 119 -2.196 -3.806 -18.131 1.00 1.00 C ATOM 0 H PHE A 119 -6.520 -4.606 -13.069 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.083 -3.300 -13.488 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -4.771 -5.505 -14.475 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.030 -4.714 -15.403 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -2.328 -4.486 -14.801 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.548 -4.054 -17.611 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -0.692 -4.053 -16.609 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -3.910 -3.612 -19.421 1.00 1.00 H new ATOM 0 HZ PHE A 119 -1.482 -3.618 -18.919 1.00 1.00 H new ATOM 1857 N GLY A 120 -4.249 -1.486 -15.162 1.00 1.00 N ATOM 1858 CA GLY A 120 -4.335 -0.234 -15.907 1.00 1.00 C ATOM 1859 C GLY A 120 -3.215 0.719 -15.519 1.00 1.00 C ATOM 1860 O GLY A 120 -2.358 0.391 -14.699 1.00 1.00 O ATOM 0 H GLY A 120 -3.296 -1.819 -15.013 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -4.285 -0.441 -16.976 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -5.299 0.238 -15.718 1.00 1.00 H new ATOM 1864 N SER A 121 -3.239 1.906 -16.110 1.00 1.00 N ATOM 1865 CA SER A 121 -2.233 2.915 -15.816 1.00 1.00 C ATOM 1866 C SER A 121 -2.315 3.328 -14.352 1.00 1.00 C ATOM 1867 O SER A 121 -1.340 3.814 -13.778 1.00 1.00 O ATOM 1868 CB SER A 121 -2.443 4.138 -16.709 1.00 1.00 C ATOM 1869 OG SER A 121 -2.505 3.723 -18.068 1.00 1.00 O ATOM 0 H SER A 121 -3.941 2.192 -16.793 1.00 1.00 H new ATOM 0 HA SER A 121 -1.247 2.493 -16.011 1.00 1.00 H new ATOM 0 HB2 SER A 121 -3.363 4.652 -16.431 1.00 1.00 H new ATOM 0 HB3 SER A 121 -1.628 4.848 -16.570 1.00 1.00 H new ATOM 0 HG SER A 121 -2.641 4.505 -18.643 1.00 1.00 H new ATOM 1875 N HIS A 122 -3.488 3.141 -13.753 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.686 3.510 -12.356 1.00 1.00 C ATOM 1877 C HIS A 122 -2.825 2.639 -11.440 1.00 1.00 C ATOM 1878 O HIS A 122 -2.183 3.146 -10.521 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.163 3.356 -11.972 1.00 1.00 C ATOM 1880 CG HIS A 122 -5.442 4.091 -10.683 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -5.431 5.476 -10.611 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -5.761 3.655 -9.417 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -5.736 5.821 -9.346 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -5.946 4.750 -8.577 1.00 1.00 N ATOM 0 H HIS A 122 -4.308 2.740 -14.208 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.388 4.551 -12.233 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.797 3.748 -12.768 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.409 2.300 -11.859 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -5.854 2.621 -9.120 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -5.803 6.840 -8.996 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -6.190 4.737 -7.587 1.00 1.00 H new ATOM 1892 N THR A 123 -2.804 1.326 -11.696 1.00 1.00 N ATOM 1893 CA THR A 123 -2.010 0.409 -10.884 1.00 1.00 C ATOM 1894 C THR A 123 -0.539 0.434 -11.285 1.00 1.00 C ATOM 1895 O THR A 123 0.345 0.328 -10.437 1.00 1.00 O ATOM 1896 CB THR A 123 -2.535 -1.023 -11.009 1.00 1.00 C ATOM 1897 OG1 THR A 123 -3.853 -1.087 -10.490 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.630 -1.978 -10.219 1.00 1.00 C ATOM 0 H THR A 123 -3.324 0.882 -12.453 1.00 1.00 H new ATOM 0 HA THR A 123 -2.099 0.743 -9.850 1.00 1.00 H new ATOM 0 HB THR A 123 -2.539 -1.316 -12.059 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.464 -1.404 -11.187 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.008 -2.996 -10.311 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.616 -1.930 -10.616 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.623 -1.687 -9.169 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.286 0.540 -12.585 1.00 1.00 N ATOM 1907 CA ARG A 124 1.083 0.538 -13.089 1.00 1.00 C ATOM 1908 C ARG A 124 1.885 1.674 -12.477 1.00 1.00 C ATOM 1909 O ARG A 124 3.042 1.492 -12.107 1.00 1.00 O ATOM 1910 CB ARG A 124 1.074 0.685 -14.613 1.00 1.00 C ATOM 1911 CG ARG A 124 2.498 0.572 -15.158 1.00 1.00 C ATOM 1912 CD ARG A 124 2.475 0.803 -16.668 1.00 1.00 C ATOM 1913 NE ARG A 124 1.701 -0.246 -17.329 1.00 1.00 N ATOM 1914 CZ ARG A 124 2.247 -1.418 -17.633 1.00 1.00 C ATOM 1915 NH1 ARG A 124 3.496 -1.651 -17.342 1.00 1.00 N ATOM 1916 NH2 ARG A 124 1.533 -2.337 -18.225 1.00 1.00 N ATOM 0 H ARG A 124 -1.004 0.628 -13.304 1.00 1.00 H new ATOM 0 HA ARG A 124 1.549 -0.408 -12.813 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.444 -0.085 -15.057 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.645 1.648 -14.891 1.00 1.00 H new ATOM 0 HG2 ARG A 124 3.145 1.305 -14.675 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.909 -0.412 -14.934 1.00 1.00 H new ATOM 0 HD2 ARG A 124 2.040 1.778 -16.887 1.00 1.00 H new ATOM 0 HD3 ARG A 124 3.493 0.813 -17.057 1.00 1.00 H new ATOM 0 HE ARG A 124 0.723 -0.075 -17.561 1.00 1.00 H new ATOM 0 HH11 ARG A 124 4.055 -0.933 -16.881 1.00 1.00 H new ATOM 0 HH12 ARG A 124 3.915 -2.551 -17.576 1.00 1.00 H new ATOM 0 HH21 ARG A 124 0.556 -2.155 -18.454 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.952 -3.237 -18.458 1.00 1.00 H new ATOM 1930 N THR A 125 1.271 2.839 -12.372 1.00 1.00 N ATOM 1931 CA THR A 125 1.956 3.988 -11.808 1.00 1.00 C ATOM 1932 C THR A 125 2.474 3.647 -10.417 1.00 1.00 C ATOM 1933 O THR A 125 3.596 4.003 -10.054 1.00 1.00 O ATOM 1934 CB THR A 125 0.999 5.180 -11.725 1.00 1.00 C ATOM 1935 OG1 THR A 125 0.573 5.535 -13.032 1.00 1.00 O ATOM 1936 CG2 THR A 125 1.711 6.365 -11.075 1.00 1.00 C ATOM 0 H THR A 125 0.310 3.014 -12.666 1.00 1.00 H new ATOM 0 HA THR A 125 2.796 4.251 -12.451 1.00 1.00 H new ATOM 0 HB THR A 125 0.132 4.909 -11.123 1.00 1.00 H new ATOM 0 HG1 THR A 125 -0.239 5.035 -13.258 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.028 7.213 -11.017 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.034 6.089 -10.071 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.580 6.640 -11.673 1.00 1.00 H new ATOM 1944 N PHE A 126 1.647 2.960 -9.640 1.00 1.00 N ATOM 1945 CA PHE A 126 2.031 2.584 -8.287 1.00 1.00 C ATOM 1946 C PHE A 126 3.316 1.761 -8.295 1.00 1.00 C ATOM 1947 O PHE A 126 4.226 2.022 -7.509 1.00 1.00 O ATOM 1948 CB PHE A 126 0.912 1.770 -7.636 1.00 1.00 C ATOM 1949 CG PHE A 126 1.261 1.505 -6.192 1.00 1.00 C ATOM 1950 CD1 PHE A 126 0.876 2.419 -5.204 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.963 0.346 -5.840 1.00 1.00 C ATOM 1952 CE1 PHE A 126 1.193 2.175 -3.864 1.00 1.00 C ATOM 1953 CE2 PHE A 126 2.281 0.103 -4.498 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.895 1.017 -3.510 1.00 1.00 C ATOM 0 H PHE A 126 0.715 2.654 -9.920 1.00 1.00 H new ATOM 0 HA PHE A 126 2.203 3.496 -7.716 1.00 1.00 H new ATOM 0 HB2 PHE A 126 -0.032 2.312 -7.700 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.776 0.828 -8.168 1.00 1.00 H new ATOM 0 HD1 PHE A 126 0.334 3.313 -5.477 1.00 1.00 H new ATOM 0 HD2 PHE A 126 2.259 -0.360 -6.602 1.00 1.00 H new ATOM 0 HE1 PHE A 126 0.896 2.880 -3.102 1.00 1.00 H new ATOM 0 HE2 PHE A 126 2.824 -0.790 -4.225 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.139 0.828 -2.475 1.00 1.00 H new ATOM 1964 N LEU A 127 3.377 0.739 -9.146 1.00 1.00 N ATOM 1965 CA LEU A 127 4.547 -0.135 -9.181 1.00 1.00 C ATOM 1966 C LEU A 127 5.829 0.669 -9.303 1.00 1.00 C ATOM 1967 O LEU A 127 6.789 0.427 -8.571 1.00 1.00 O ATOM 1968 CB LEU A 127 4.473 -1.065 -10.397 1.00 1.00 C ATOM 1969 CG LEU A 127 3.111 -1.752 -10.462 1.00 1.00 C ATOM 1970 CD1 LEU A 127 3.087 -2.694 -11.671 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.868 -2.547 -9.175 1.00 1.00 C ATOM 0 H LEU A 127 2.642 0.498 -9.811 1.00 1.00 H new ATOM 0 HA LEU A 127 4.552 -0.705 -8.252 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.643 -0.494 -11.310 1.00 1.00 H new ATOM 0 HB3 LEU A 127 5.262 -1.814 -10.338 1.00 1.00 H new ATOM 0 HG LEU A 127 2.325 -1.004 -10.565 1.00 1.00 H new ATOM 0 HD11 LEU A 127 2.118 -3.190 -11.727 1.00 1.00 H new ATOM 0 HD12 LEU A 127 3.254 -2.120 -12.583 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.872 -3.443 -11.565 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.895 -3.035 -9.227 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.647 -3.301 -9.061 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.890 -1.871 -8.320 1.00 1.00 H new ATOM 1983 N GLN A 128 5.863 1.599 -10.246 1.00 1.00 N ATOM 1984 CA GLN A 128 7.057 2.398 -10.473 1.00 1.00 C ATOM 1985 C GLN A 128 7.427 3.233 -9.248 1.00 1.00 C ATOM 1986 O GLN A 128 8.605 3.365 -8.916 1.00 1.00 O ATOM 1987 CB GLN A 128 6.813 3.322 -11.670 1.00 1.00 C ATOM 1988 CG GLN A 128 6.192 2.519 -12.822 1.00 1.00 C ATOM 1989 CD GLN A 128 7.050 1.302 -13.153 1.00 1.00 C ATOM 1990 OE1 GLN A 128 8.275 1.395 -13.185 1.00 1.00 O ATOM 1991 NE2 GLN A 128 6.470 0.158 -13.411 1.00 1.00 N ATOM 0 H GLN A 128 5.081 1.818 -10.863 1.00 1.00 H new ATOM 0 HA GLN A 128 7.888 1.722 -10.672 1.00 1.00 H new ATOM 0 HB2 GLN A 128 6.150 4.138 -11.383 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.752 3.772 -11.992 1.00 1.00 H new ATOM 0 HG2 GLN A 128 5.187 2.198 -12.548 1.00 1.00 H new ATOM 0 HG3 GLN A 128 6.095 3.153 -13.703 1.00 1.00 H new ATOM 0 HE21 GLN A 128 5.453 0.084 -13.384 1.00 1.00 H new ATOM 0 HE22 GLN A 128 7.035 -0.660 -13.640 1.00 1.00 H new ATOM 2000 N GLU A 129 6.429 3.805 -8.583 1.00 1.00 N ATOM 2001 CA GLU A 129 6.697 4.632 -7.410 1.00 1.00 C ATOM 2002 C GLU A 129 7.472 3.850 -6.355 1.00 1.00 C ATOM 2003 O GLU A 129 8.423 4.366 -5.772 1.00 1.00 O ATOM 2004 CB GLU A 129 5.385 5.133 -6.801 1.00 1.00 C ATOM 2005 CG GLU A 129 4.707 6.121 -7.754 1.00 1.00 C ATOM 2006 CD GLU A 129 5.529 7.405 -7.857 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.452 7.562 -7.075 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.214 8.217 -8.710 1.00 1.00 O ATOM 0 H GLU A 129 5.443 3.715 -8.829 1.00 1.00 H new ATOM 0 HA GLU A 129 7.298 5.482 -7.733 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.721 4.291 -6.605 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.580 5.615 -5.843 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.599 5.670 -8.740 1.00 1.00 H new ATOM 0 HG3 GLU A 129 3.703 6.351 -7.397 1.00 1.00 H new ATOM 2015 N VAL A 130 7.071 2.606 -6.122 1.00 1.00 N ATOM 2016 CA VAL A 130 7.747 1.766 -5.139 1.00 1.00 C ATOM 2017 C VAL A 130 9.199 1.532 -5.559 1.00 1.00 C ATOM 2018 O VAL A 130 10.115 1.573 -4.741 1.00 1.00 O ATOM 2019 CB VAL A 130 7.006 0.431 -5.002 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.806 -0.517 -4.104 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.629 0.678 -4.376 1.00 1.00 C ATOM 0 H VAL A 130 6.287 2.158 -6.596 1.00 1.00 H new ATOM 0 HA VAL A 130 7.744 2.270 -4.173 1.00 1.00 H new ATOM 0 HB VAL A 130 6.889 -0.019 -5.988 1.00 1.00 H new ATOM 0 HG11 VAL A 130 7.275 -1.464 -4.010 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.787 -0.694 -4.544 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.926 -0.069 -3.118 1.00 1.00 H new ATOM 0 HG21 VAL A 130 5.099 -0.269 -4.277 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.753 1.129 -3.392 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.055 1.350 -5.014 1.00 1.00 H new ATOM 2031 N ALA A 131 9.388 1.255 -6.838 1.00 1.00 N ATOM 2032 CA ALA A 131 10.721 0.984 -7.366 1.00 1.00 C ATOM 2033 C ALA A 131 11.733 2.057 -6.946 1.00 1.00 C ATOM 2034 O ALA A 131 12.802 1.737 -6.429 1.00 1.00 O ATOM 2035 CB ALA A 131 10.672 0.913 -8.892 1.00 1.00 C ATOM 0 H ALA A 131 8.640 1.211 -7.531 1.00 1.00 H new ATOM 0 HA ALA A 131 11.046 0.029 -6.953 1.00 1.00 H new ATOM 0 HB1 ALA A 131 11.671 0.710 -9.279 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.996 0.115 -9.198 1.00 1.00 H new ATOM 0 HB3 ALA A 131 10.315 1.863 -9.289 1.00 1.00 H new ATOM 2041 N ARG A 132 11.395 3.325 -7.167 1.00 1.00 N ATOM 2042 CA ARG A 132 12.298 4.421 -6.803 1.00 1.00 C ATOM 2043 C ARG A 132 12.210 4.728 -5.309 1.00 1.00 C ATOM 2044 O ARG A 132 13.073 5.409 -4.752 1.00 1.00 O ATOM 2045 CB ARG A 132 11.950 5.672 -7.610 1.00 1.00 C ATOM 2046 CG ARG A 132 12.298 5.433 -9.081 1.00 1.00 C ATOM 2047 CD ARG A 132 11.906 6.655 -9.909 1.00 1.00 C ATOM 2048 NE ARG A 132 12.242 6.436 -11.314 1.00 1.00 N ATOM 2049 CZ ARG A 132 11.401 5.812 -12.135 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.255 5.375 -11.687 1.00 1.00 N ATOM 2051 NH2 ARG A 132 11.723 5.631 -13.387 1.00 1.00 N ATOM 0 H ARG A 132 10.515 3.620 -7.590 1.00 1.00 H new ATOM 0 HA ARG A 132 13.318 4.113 -7.031 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.890 5.903 -7.507 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.501 6.531 -7.228 1.00 1.00 H new ATOM 0 HG2 ARG A 132 13.365 5.239 -9.185 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.776 4.550 -9.449 1.00 1.00 H new ATOM 0 HD2 ARG A 132 10.838 6.846 -9.808 1.00 1.00 H new ATOM 0 HD3 ARG A 132 12.424 7.539 -9.536 1.00 1.00 H new ATOM 0 HE ARG A 132 13.138 6.768 -11.672 1.00 1.00 H new ATOM 0 HH11 ARG A 132 10.004 5.512 -10.708 1.00 1.00 H new ATOM 0 HH12 ARG A 132 9.610 4.897 -12.316 1.00 1.00 H new ATOM 0 HH21 ARG A 132 12.620 5.968 -13.737 1.00 1.00 H new ATOM 0 HH22 ARG A 132 11.078 5.153 -14.016 1.00 1.00 H new ATOM 2065 N ALA A 133 11.153 4.237 -4.675 1.00 1.00 N ATOM 2066 CA ALA A 133 10.940 4.473 -3.251 1.00 1.00 C ATOM 2067 C ALA A 133 12.069 3.886 -2.403 1.00 1.00 C ATOM 2068 O ALA A 133 12.291 4.328 -1.276 1.00 1.00 O ATOM 2069 CB ALA A 133 9.602 3.868 -2.817 1.00 1.00 C ATOM 0 H ALA A 133 10.430 3.674 -5.123 1.00 1.00 H new ATOM 0 HA ALA A 133 10.928 5.551 -3.093 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.449 4.048 -1.753 1.00 1.00 H new ATOM 0 HB2 ALA A 133 8.793 4.330 -3.383 1.00 1.00 H new ATOM 0 HB3 ALA A 133 9.610 2.795 -3.006 1.00 1.00 H new ATOM 2075 N CYS A 134 12.791 2.906 -2.951 1.00 1.00 N ATOM 2076 CA CYS A 134 13.907 2.287 -2.222 1.00 1.00 C ATOM 2077 C CYS A 134 14.344 0.954 -2.853 1.00 1.00 C ATOM 2078 O CYS A 134 15.486 0.827 -3.293 1.00 1.00 O ATOM 2079 CB CYS A 134 13.541 2.074 -0.729 1.00 1.00 C ATOM 2080 SG CYS A 134 14.260 3.401 0.282 1.00 1.00 S ATOM 0 H CYS A 134 12.629 2.526 -3.884 1.00 1.00 H new ATOM 0 HA CYS A 134 14.749 2.977 -2.288 1.00 1.00 H new ATOM 0 HB2 CYS A 134 12.458 2.061 -0.610 1.00 1.00 H new ATOM 0 HB3 CYS A 134 13.911 1.106 -0.390 1.00 1.00 H new ATOM 0 HG CYS A 134 13.669 4.525 0.006 1.00 1.00 H new ATOM 2086 N PRO A 135 13.490 -0.046 -2.874 1.00 1.00 N ATOM 2087 CA PRO A 135 13.849 -1.389 -3.431 1.00 1.00 C ATOM 2088 C PRO A 135 14.373 -1.317 -4.865 1.00 1.00 C ATOM 2089 O PRO A 135 15.530 -1.657 -5.116 1.00 1.00 O ATOM 2090 CB PRO A 135 12.528 -2.190 -3.352 1.00 1.00 C ATOM 2091 CG PRO A 135 11.459 -1.158 -3.182 1.00 1.00 C ATOM 2092 CD PRO A 135 12.103 -0.027 -2.388 1.00 1.00 C ATOM 0 HA PRO A 135 14.663 -1.851 -2.872 1.00 1.00 H new ATOM 0 HB2 PRO A 135 12.369 -2.778 -4.256 1.00 1.00 H new ATOM 0 HB3 PRO A 135 12.539 -2.888 -2.515 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.099 -0.803 -4.148 1.00 1.00 H new ATOM 0 HG3 PRO A 135 10.599 -1.568 -2.653 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.619 0.930 -2.580 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.047 -0.202 -1.314 1.00 1.00 H new ATOM 2232 N GLU A 145 15.881 2.615 7.495 1.00 1.00 N ATOM 2233 CA GLU A 145 15.657 3.819 8.289 1.00 1.00 C ATOM 2234 C GLU A 145 14.182 3.935 8.670 1.00 1.00 C ATOM 2235 O GLU A 145 13.459 4.771 8.133 1.00 1.00 O ATOM 2236 CB GLU A 145 16.078 5.048 7.479 1.00 1.00 C ATOM 2237 CG GLU A 145 16.037 6.298 8.364 1.00 1.00 C ATOM 2238 CD GLU A 145 17.156 6.245 9.399 1.00 1.00 C ATOM 2239 OE1 GLU A 145 17.986 5.356 9.304 1.00 1.00 O ATOM 2240 OE2 GLU A 145 17.168 7.098 10.272 1.00 1.00 O ATOM 0 HA GLU A 145 16.251 3.759 9.201 1.00 1.00 H new ATOM 0 HB2 GLU A 145 17.083 4.906 7.083 1.00 1.00 H new ATOM 0 HB3 GLU A 145 15.414 5.176 6.624 1.00 1.00 H new ATOM 0 HG2 GLU A 145 16.142 7.192 7.749 1.00 1.00 H new ATOM 0 HG3 GLU A 145 15.071 6.367 8.865 1.00 1.00 H new ATOM 2247 N PHE A 146 13.745 3.084 9.598 1.00 1.00 N ATOM 2248 CA PHE A 146 12.350 3.091 10.047 1.00 1.00 C ATOM 2249 C PHE A 146 12.201 3.939 11.315 1.00 1.00 C ATOM 2250 O PHE A 146 11.194 3.864 12.013 1.00 1.00 O ATOM 2251 CB PHE A 146 11.887 1.647 10.317 1.00 1.00 C ATOM 2252 CG PHE A 146 13.047 0.836 10.852 1.00 1.00 C ATOM 2253 CD1 PHE A 146 13.594 1.144 12.101 1.00 1.00 C ATOM 2254 CD2 PHE A 146 13.577 -0.224 10.101 1.00 1.00 C ATOM 2255 CE1 PHE A 146 14.666 0.398 12.603 1.00 1.00 C ATOM 2256 CE2 PHE A 146 14.650 -0.971 10.602 1.00 1.00 C ATOM 2257 CZ PHE A 146 15.194 -0.659 11.853 1.00 1.00 C ATOM 0 H PHE A 146 14.332 2.384 10.052 1.00 1.00 H new ATOM 0 HA PHE A 146 11.728 3.528 9.266 1.00 1.00 H new ATOM 0 HB2 PHE A 146 11.067 1.645 11.035 1.00 1.00 H new ATOM 0 HB3 PHE A 146 11.508 1.198 9.399 1.00 1.00 H new ATOM 0 HD1 PHE A 146 13.188 1.960 12.680 1.00 1.00 H new ATOM 0 HD2 PHE A 146 13.157 -0.464 9.135 1.00 1.00 H new ATOM 0 HE1 PHE A 146 15.086 0.638 13.569 1.00 1.00 H new ATOM 0 HE2 PHE A 146 15.057 -1.787 10.024 1.00 1.00 H new ATOM 0 HZ PHE A 146 16.022 -1.234 12.240 1.00 1.00 H new ATOM 2267 N GLU A 147 13.230 4.714 11.615 1.00 1.00 N ATOM 2268 CA GLU A 147 13.233 5.549 12.814 1.00 1.00 C ATOM 2269 C GLU A 147 12.087 6.567 12.809 1.00 1.00 C ATOM 2270 O GLU A 147 11.577 6.933 13.868 1.00 1.00 O ATOM 2271 CB GLU A 147 14.571 6.288 12.908 1.00 1.00 C ATOM 2272 CG GLU A 147 14.686 7.008 14.256 1.00 1.00 C ATOM 2273 CD GLU A 147 14.851 5.990 15.380 1.00 1.00 C ATOM 2274 OE1 GLU A 147 15.012 4.820 15.074 1.00 1.00 O ATOM 2275 OE2 GLU A 147 14.817 6.397 16.529 1.00 1.00 O ATOM 0 H GLU A 147 14.075 4.785 11.048 1.00 1.00 H new ATOM 0 HA GLU A 147 13.093 4.898 13.677 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.393 5.582 12.794 1.00 1.00 H new ATOM 0 HB3 GLU A 147 14.654 7.009 12.095 1.00 1.00 H new ATOM 0 HG2 GLU A 147 15.538 7.688 14.243 1.00 1.00 H new ATOM 0 HG3 GLU A 147 13.797 7.614 14.431 1.00 1.00 H new ATOM 2282 N TRP A 148 11.698 7.038 11.628 1.00 1.00 N ATOM 2283 CA TRP A 148 10.624 8.032 11.529 1.00 1.00 C ATOM 2284 C TRP A 148 9.240 7.378 11.559 1.00 1.00 C ATOM 2285 O TRP A 148 8.242 8.049 11.822 1.00 1.00 O ATOM 2286 CB TRP A 148 10.791 8.878 10.263 1.00 1.00 C ATOM 2287 CG TRP A 148 10.761 8.004 9.049 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.748 7.160 8.674 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.717 7.888 8.039 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.369 6.515 7.512 1.00 1.00 N ATOM 2291 CE2 TRP A 148 10.123 6.933 7.077 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.464 8.508 7.870 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 9.316 6.604 5.985 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.650 8.181 6.773 1.00 1.00 C ATOM 2295 CH2 TRP A 148 8.072 7.231 5.833 1.00 1.00 C ATOM 0 H TRP A 148 12.101 6.755 10.735 1.00 1.00 H new ATOM 0 HA TRP A 148 10.698 8.683 12.400 1.00 1.00 H new ATOM 0 HB2 TRP A 148 9.995 9.620 10.205 1.00 1.00 H new ATOM 0 HB3 TRP A 148 11.733 9.424 10.304 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.681 7.013 9.197 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.938 5.816 7.033 1.00 1.00 H new ATOM 0 HE3 TRP A 148 8.127 9.240 8.589 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.648 5.872 5.264 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.692 8.665 6.653 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.440 6.983 4.993 1.00 1.00 H new ATOM 2306 N LEU A 149 9.172 6.075 11.293 1.00 1.00 N ATOM 2307 CA LEU A 149 7.891 5.368 11.304 1.00 1.00 C ATOM 2308 C LEU A 149 7.268 5.443 12.696 1.00 1.00 C ATOM 2309 O LEU A 149 6.058 5.618 12.835 1.00 1.00 O ATOM 2310 CB LEU A 149 8.084 3.892 10.899 1.00 1.00 C ATOM 2311 CG LEU A 149 8.116 3.731 9.365 1.00 1.00 C ATOM 2312 CD1 LEU A 149 6.701 3.843 8.772 1.00 1.00 C ATOM 2313 CD2 LEU A 149 9.014 4.803 8.739 1.00 1.00 C ATOM 0 H LEU A 149 9.978 5.492 11.069 1.00 1.00 H new ATOM 0 HA LEU A 149 7.226 5.844 10.584 1.00 1.00 H new ATOM 0 HB2 LEU A 149 9.013 3.514 11.326 1.00 1.00 H new ATOM 0 HB3 LEU A 149 7.275 3.290 11.313 1.00 1.00 H new ATOM 0 HG LEU A 149 8.516 2.742 9.139 1.00 1.00 H new ATOM 0 HD11 LEU A 149 6.750 3.726 7.689 1.00 1.00 H new ATOM 0 HD12 LEU A 149 6.067 3.062 9.193 1.00 1.00 H new ATOM 0 HD13 LEU A 149 6.282 4.820 9.013 1.00 1.00 H new ATOM 0 HD21 LEU A 149 9.028 4.679 7.656 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.627 5.792 8.986 1.00 1.00 H new ATOM 0 HD23 LEU A 149 10.027 4.702 9.129 1.00 1.00 H new ATOM 2325 N SER A 150 8.102 5.311 13.722 1.00 1.00 N ATOM 2326 CA SER A 150 7.614 5.370 15.094 1.00 1.00 C ATOM 2327 C SER A 150 6.682 6.561 15.264 1.00 1.00 C ATOM 2328 O SER A 150 5.712 6.505 16.020 1.00 1.00 O ATOM 2329 CB SER A 150 8.791 5.513 16.052 1.00 1.00 C ATOM 2330 OG SER A 150 9.430 6.762 15.818 1.00 1.00 O ATOM 0 H SER A 150 9.107 5.164 13.632 1.00 1.00 H new ATOM 0 HA SER A 150 7.071 4.451 15.315 1.00 1.00 H new ATOM 0 HB2 SER A 150 8.445 5.455 17.084 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.497 4.696 15.905 1.00 1.00 H new ATOM 0 HG SER A 150 10.116 6.654 15.127 1.00 1.00 H new ATOM 2336 N ARG A 151 6.981 7.634 14.544 1.00 1.00 N ATOM 2337 CA ARG A 151 6.168 8.838 14.605 1.00 1.00 C ATOM 2338 C ARG A 151 4.756 8.487 14.186 1.00 1.00 C ATOM 2339 O ARG A 151 3.779 8.926 14.792 1.00 1.00 O ATOM 2340 CB ARG A 151 6.729 9.889 13.639 1.00 1.00 C ATOM 2341 CG ARG A 151 8.219 10.139 13.918 1.00 1.00 C ATOM 2342 CD ARG A 151 8.388 11.089 15.103 1.00 1.00 C ATOM 2343 NE ARG A 151 9.805 11.241 15.416 1.00 1.00 N ATOM 2344 CZ ARG A 151 10.557 12.144 14.794 1.00 1.00 C ATOM 2345 NH1 ARG A 151 10.024 12.930 13.898 1.00 1.00 N ATOM 2346 NH2 ARG A 151 11.825 12.242 15.079 1.00 1.00 N ATOM 0 H ARG A 151 7.780 7.694 13.912 1.00 1.00 H new ATOM 0 HA ARG A 151 6.176 9.238 15.619 1.00 1.00 H new ATOM 0 HB2 ARG A 151 6.597 9.553 12.611 1.00 1.00 H new ATOM 0 HB3 ARG A 151 6.173 10.820 13.743 1.00 1.00 H new ATOM 0 HG2 ARG A 151 8.720 9.194 14.127 1.00 1.00 H new ATOM 0 HG3 ARG A 151 8.695 10.563 13.034 1.00 1.00 H new ATOM 0 HD2 ARG A 151 7.952 12.060 14.868 1.00 1.00 H new ATOM 0 HD3 ARG A 151 7.854 10.702 15.971 1.00 1.00 H new ATOM 0 HE ARG A 151 10.227 10.643 16.126 1.00 1.00 H new ATOM 0 HH11 ARG A 151 9.032 12.851 13.676 1.00 1.00 H new ATOM 0 HH12 ARG A 151 10.600 13.623 13.420 1.00 1.00 H new ATOM 0 HH21 ARG A 151 12.240 11.626 15.779 1.00 1.00 H new ATOM 0 HH22 ARG A 151 12.403 12.934 14.602 1.00 1.00 H new ATOM 2360 N HIS A 152 4.668 7.670 13.149 1.00 1.00 N ATOM 2361 CA HIS A 152 3.383 7.228 12.647 1.00 1.00 C ATOM 2362 C HIS A 152 2.841 6.117 13.538 1.00 1.00 C ATOM 2363 O HIS A 152 3.596 5.287 14.044 1.00 1.00 O ATOM 2364 CB HIS A 152 3.532 6.719 11.211 1.00 1.00 C ATOM 2365 CG HIS A 152 3.911 7.861 10.307 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.998 8.830 9.920 1.00 1.00 N ATOM 2367 CD2 HIS A 152 5.096 8.201 9.701 1.00 1.00 C ATOM 2368 CE1 HIS A 152 3.641 9.697 9.119 1.00 1.00 C ATOM 2369 NE2 HIS A 152 4.922 9.361 8.951 1.00 1.00 N ATOM 0 H HIS A 152 5.472 7.301 12.641 1.00 1.00 H new ATOM 0 HA HIS A 152 2.686 8.066 12.655 1.00 1.00 H new ATOM 0 HB2 HIS A 152 4.293 5.940 11.168 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.597 6.271 10.875 1.00 1.00 H new ATOM 0 HD2 HIS A 152 6.022 7.652 9.792 1.00 1.00 H new ATOM 0 HE1 HIS A 152 3.177 10.561 8.666 1.00 1.00 H new ATOM 0 HE2 HIS A 152 5.623 9.849 8.393 1.00 1.00 H new ATOM 2377 N THR A 153 1.528 6.095 13.698 1.00 1.00 N ATOM 2378 CA THR A 153 0.874 5.067 14.503 1.00 1.00 C ATOM 2379 C THR A 153 -0.550 4.860 14.014 1.00 1.00 C ATOM 2380 O THR A 153 -1.201 5.799 13.555 1.00 1.00 O ATOM 2381 CB THR A 153 0.865 5.451 15.987 1.00 1.00 C ATOM 2382 OG1 THR A 153 0.096 4.498 16.709 1.00 1.00 O ATOM 2383 CG2 THR A 153 0.253 6.842 16.169 1.00 1.00 C ATOM 0 H THR A 153 0.891 6.775 13.283 1.00 1.00 H new ATOM 0 HA THR A 153 1.435 4.139 14.395 1.00 1.00 H new ATOM 0 HB THR A 153 1.889 5.464 16.361 1.00 1.00 H new ATOM 0 HG1 THR A 153 0.088 4.737 17.659 1.00 1.00 H new ATOM 0 HG21 THR A 153 0.252 7.104 17.227 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.841 7.574 15.615 1.00 1.00 H new ATOM 0 HG23 THR A 153 -0.771 6.841 15.795 1.00 1.00 H new ATOM 2391 N CYS A 154 -1.026 3.627 14.103 1.00 1.00 N ATOM 2392 CA CYS A 154 -2.364 3.307 13.653 1.00 1.00 C ATOM 2393 C CYS A 154 -3.400 3.972 14.546 1.00 1.00 C ATOM 2394 O CYS A 154 -3.173 4.182 15.737 1.00 1.00 O ATOM 2395 CB CYS A 154 -2.562 1.794 13.660 1.00 1.00 C ATOM 2396 SG CYS A 154 -1.879 1.109 15.189 1.00 1.00 S ATOM 0 H CYS A 154 -0.504 2.837 14.482 1.00 1.00 H new ATOM 0 HA CYS A 154 -2.492 3.682 12.637 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -3.622 1.554 13.582 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -2.070 1.347 12.796 1.00 1.00 H new ATOM 0 HG CYS A 154 -2.048 -0.180 15.200 1.00 1.00 H new