USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0322 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0901 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -68:sc= -1.19 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 165:sc= -0.114 (180deg=-0.578) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 71:sc= 1.11 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.805 USER MOD Single : A 44 MET CE :methyl 159:sc= 0 (180deg=-0.234) USER MOD Single : A 45 THR OG1 : rot 45:sc= 0.22 USER MOD Single : A 47 SER OG : rot -70:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -153:sc= -1.05 (180deg=-2.25) USER MOD Single : A 59 THR OG1 : rot -71:sc= 0.015 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0448 K(o=-0.045,f=-2.4!) USER MOD Single : A 66 HIS : no HD1:sc= -4.15! C(o=-4.2!,f=-8.2!) USER MOD Single : A 73 MET CE :methyl -111:sc= -0.0941 (180deg=-3.01) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 82 SER OG : rot 16:sc= 0.903 USER MOD Single : A 84 GLN : amide:sc= -0.0971 K(o=-0.097,f=-1.2) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -117:sc= -0.888 (180deg=-2.11!) USER MOD Single : A 90 THR OG1 : rot 71:sc= 1.11 USER MOD Single : A 92 TYR OH : rot -2:sc= -3.11! USER MOD Single : A 95 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0277) USER MOD Single : A 96 THR OG1 : rot 80:sc= -1.2 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0993 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 36:sc= 0.77 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.940 11.739 -11.503 1.00 0.00 N ATOM 2 CA GLY A 1 -18.492 13.022 -10.993 1.00 0.00 C ATOM 3 C GLY A 1 -17.156 12.930 -10.284 1.00 0.00 C ATOM 4 O GLY A 1 -16.325 12.086 -10.619 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.356 11.867 -12.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.131 11.089 -11.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.655 11.341 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.414 13.730 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.239 13.416 -10.304 1.00 0.00 H new ATOM 8 N SER A 2 -16.948 13.801 -9.302 1.00 0.00 N ATOM 9 CA SER A 2 -15.700 13.818 -8.547 1.00 0.00 C ATOM 10 C SER A 2 -15.456 12.472 -7.871 1.00 0.00 C ATOM 11 O SER A 2 -16.287 11.567 -7.946 1.00 0.00 O ATOM 12 CB SER A 2 -15.729 14.931 -7.498 1.00 0.00 C ATOM 13 OG SER A 2 -15.486 16.195 -8.088 1.00 0.00 O ATOM 0 H SER A 2 -17.627 14.504 -9.010 1.00 0.00 H new ATOM 0 HA SER A 2 -14.884 14.008 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.698 14.939 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.978 14.733 -6.733 1.00 0.00 H new ATOM 0 HG SER A 2 -15.512 16.889 -7.397 1.00 0.00 H new ATOM 19 N SER A 3 -14.309 12.348 -7.211 1.00 0.00 N ATOM 20 CA SER A 3 -13.952 11.112 -6.525 1.00 0.00 C ATOM 21 C SER A 3 -14.253 11.213 -5.032 1.00 0.00 C ATOM 22 O SER A 3 -15.012 10.415 -4.485 1.00 0.00 O ATOM 23 CB SER A 3 -12.470 10.795 -6.737 1.00 0.00 C ATOM 24 OG SER A 3 -12.074 9.671 -5.971 1.00 0.00 O ATOM 0 H SER A 3 -13.611 13.088 -7.137 1.00 0.00 H new ATOM 0 HA SER A 3 -14.553 10.306 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.284 10.603 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.867 11.659 -6.459 1.00 0.00 H new ATOM 0 HG SER A 3 -11.124 9.488 -6.125 1.00 0.00 H new ATOM 30 N GLY A 4 -13.650 12.202 -4.379 1.00 0.00 N ATOM 31 CA GLY A 4 -13.864 12.391 -2.956 1.00 0.00 C ATOM 32 C GLY A 4 -12.695 11.903 -2.124 1.00 0.00 C ATOM 33 O GLY A 4 -12.058 12.685 -1.418 1.00 0.00 O ATOM 0 H GLY A 4 -13.017 12.876 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.033 13.449 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.767 11.861 -2.654 1.00 0.00 H new ATOM 37 N SER A 5 -12.413 10.607 -2.204 1.00 0.00 N ATOM 38 CA SER A 5 -11.316 10.014 -1.448 1.00 0.00 C ATOM 39 C SER A 5 -10.012 10.763 -1.706 1.00 0.00 C ATOM 40 O SER A 5 -9.861 11.435 -2.726 1.00 0.00 O ATOM 41 CB SER A 5 -11.152 8.539 -1.817 1.00 0.00 C ATOM 42 OG SER A 5 -10.124 7.933 -1.053 1.00 0.00 O ATOM 0 H SER A 5 -12.929 9.947 -2.785 1.00 0.00 H new ATOM 0 HA SER A 5 -11.555 10.090 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.092 8.013 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.921 8.450 -2.879 1.00 0.00 H new ATOM 0 HG SER A 5 -10.040 6.990 -1.307 1.00 0.00 H new ATOM 48 N SER A 6 -9.073 10.641 -0.774 1.00 0.00 N ATOM 49 CA SER A 6 -7.782 11.309 -0.897 1.00 0.00 C ATOM 50 C SER A 6 -6.690 10.516 -0.186 1.00 0.00 C ATOM 51 O SER A 6 -6.974 9.604 0.590 1.00 0.00 O ATOM 52 CB SER A 6 -7.858 12.724 -0.320 1.00 0.00 C ATOM 53 OG SER A 6 -6.662 13.441 -0.568 1.00 0.00 O ATOM 0 H SER A 6 -9.181 10.086 0.075 1.00 0.00 H new ATOM 0 HA SER A 6 -7.532 11.369 -1.956 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.702 13.255 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.039 12.673 0.754 1.00 0.00 H new ATOM 0 HG SER A 6 -6.737 14.342 -0.191 1.00 0.00 H new ATOM 59 N GLY A 7 -5.437 10.870 -0.458 1.00 0.00 N ATOM 60 CA GLY A 7 -4.321 10.182 0.163 1.00 0.00 C ATOM 61 C GLY A 7 -3.358 9.603 -0.855 1.00 0.00 C ATOM 62 O GLY A 7 -3.147 10.184 -1.919 1.00 0.00 O ATOM 0 H GLY A 7 -5.176 11.621 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.786 10.876 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.700 9.381 0.797 1.00 0.00 H new ATOM 66 N GLU A 8 -2.771 8.456 -0.527 1.00 0.00 N ATOM 67 CA GLU A 8 -1.823 7.801 -1.420 1.00 0.00 C ATOM 68 C GLU A 8 -2.193 6.335 -1.626 1.00 0.00 C ATOM 69 O GLU A 8 -2.825 5.704 -0.778 1.00 0.00 O ATOM 70 CB GLU A 8 -0.403 7.906 -0.860 1.00 0.00 C ATOM 71 CG GLU A 8 0.095 9.336 -0.727 1.00 0.00 C ATOM 72 CD GLU A 8 -0.271 9.959 0.606 1.00 0.00 C ATOM 73 OE1 GLU A 8 -0.349 9.218 1.607 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.479 11.190 0.647 1.00 0.00 O ATOM 0 H GLU A 8 -2.935 7.962 0.350 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.863 8.307 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.371 7.427 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.276 7.353 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.178 9.352 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.323 9.939 -1.533 1.00 0.00 H new ATOM 81 N PRO A 9 -1.792 5.780 -2.779 1.00 0.00 N ATOM 82 CA PRO A 9 -2.070 4.383 -3.124 1.00 0.00 C ATOM 83 C PRO A 9 -1.277 3.405 -2.263 1.00 0.00 C ATOM 84 O PRO A 9 -1.709 2.276 -2.033 1.00 0.00 O ATOM 85 CB PRO A 9 -1.632 4.284 -4.587 1.00 0.00 C ATOM 86 CG PRO A 9 -0.612 5.358 -4.750 1.00 0.00 C ATOM 87 CD PRO A 9 -1.035 6.474 -3.835 1.00 0.00 C ATOM 0 HA PRO A 9 -3.116 4.123 -2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.213 3.303 -4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.474 4.432 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.382 4.995 -4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.565 5.698 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.176 7.008 -3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.651 7.208 -4.355 1.00 0.00 H new ATOM 95 N GLU A 10 -0.115 3.846 -1.791 1.00 0.00 N ATOM 96 CA GLU A 10 0.737 3.008 -0.956 1.00 0.00 C ATOM 97 C GLU A 10 -0.027 2.498 0.262 1.00 0.00 C ATOM 98 O GLU A 10 0.131 1.347 0.669 1.00 0.00 O ATOM 99 CB GLU A 10 1.974 3.788 -0.507 1.00 0.00 C ATOM 100 CG GLU A 10 3.155 3.655 -1.454 1.00 0.00 C ATOM 101 CD GLU A 10 3.192 4.754 -2.498 1.00 0.00 C ATOM 102 OE1 GLU A 10 2.414 4.675 -3.471 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.999 5.694 -2.340 1.00 0.00 O ATOM 0 H GLU A 10 0.257 4.778 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 10 1.053 2.150 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.713 4.842 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.272 3.442 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.081 3.674 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.109 2.687 -1.953 1.00 0.00 H new ATOM 110 N GLN A 11 -0.854 3.364 0.839 1.00 0.00 N ATOM 111 CA GLN A 11 -1.642 3.001 2.012 1.00 0.00 C ATOM 112 C GLN A 11 -2.743 2.013 1.644 1.00 0.00 C ATOM 113 O GLN A 11 -2.936 1.003 2.321 1.00 0.00 O ATOM 114 CB GLN A 11 -2.253 4.251 2.647 1.00 0.00 C ATOM 115 CG GLN A 11 -1.306 4.983 3.585 1.00 0.00 C ATOM 116 CD GLN A 11 -1.392 4.478 5.012 1.00 0.00 C ATOM 117 OE1 GLN A 11 -1.297 3.277 5.264 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.572 5.396 5.954 1.00 0.00 N ATOM 0 H GLN A 11 -0.996 4.320 0.514 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.977 2.523 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.567 4.933 1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.149 3.967 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.284 4.869 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.534 6.049 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.645 6.381 5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.637 5.116 6.933 1.00 0.00 H new ATOM 127 N VAL A 12 -3.463 2.310 0.567 1.00 0.00 N ATOM 128 CA VAL A 12 -4.545 1.447 0.109 1.00 0.00 C ATOM 129 C VAL A 12 -4.100 -0.010 0.054 1.00 0.00 C ATOM 130 O VAL A 12 -4.870 -0.917 0.371 1.00 0.00 O ATOM 131 CB VAL A 12 -5.050 1.871 -1.283 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.184 0.966 -1.739 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.491 3.327 -1.269 1.00 0.00 C ATOM 0 H VAL A 12 -3.316 3.142 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.357 1.549 0.829 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.230 1.771 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.527 1.281 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.830 -0.064 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.009 1.031 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.845 3.610 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.296 3.456 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.648 3.960 -0.991 1.00 0.00 H new ATOM 143 N ILE A 13 -2.853 -0.227 -0.350 1.00 0.00 N ATOM 144 CA ILE A 13 -2.304 -1.574 -0.445 1.00 0.00 C ATOM 145 C ILE A 13 -2.078 -2.174 0.938 1.00 0.00 C ATOM 146 O ILE A 13 -2.631 -3.223 1.269 1.00 0.00 O ATOM 147 CB ILE A 13 -0.975 -1.587 -1.222 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.182 -1.049 -2.639 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.400 -2.995 -1.264 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.265 -1.771 -3.408 1.00 0.00 C ATOM 0 H ILE A 13 -2.204 0.513 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.036 -2.176 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.264 -0.940 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.432 0.010 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.244 -1.127 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.539 -2.988 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.220 -3.345 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.107 -3.662 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.356 -1.336 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.007 -2.826 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.214 -1.672 -2.881 1.00 0.00 H new ATOM 162 N ARG A 14 -1.263 -1.501 1.743 1.00 0.00 N ATOM 163 CA ARG A 14 -0.964 -1.967 3.092 1.00 0.00 C ATOM 164 C ARG A 14 -2.235 -2.054 3.931 1.00 0.00 C ATOM 165 O ARG A 14 -2.289 -2.784 4.921 1.00 0.00 O ATOM 166 CB ARG A 14 0.043 -1.032 3.766 1.00 0.00 C ATOM 167 CG ARG A 14 1.484 -1.293 3.357 1.00 0.00 C ATOM 168 CD ARG A 14 2.011 -2.582 3.967 1.00 0.00 C ATOM 169 NE ARG A 14 2.338 -2.426 5.381 1.00 0.00 N ATOM 170 CZ ARG A 14 3.499 -1.953 5.819 1.00 0.00 C ATOM 171 NH1 ARG A 14 4.439 -1.592 4.957 1.00 0.00 N ATOM 172 NH2 ARG A 14 3.722 -1.840 7.123 1.00 0.00 N ATOM 0 H ARG A 14 -0.798 -0.631 1.485 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.530 -2.964 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.213 -0.001 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.044 -1.137 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.550 -1.350 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.110 -0.458 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.265 -3.368 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.899 -2.903 3.423 1.00 0.00 H new ATOM 0 HE ARG A 14 1.636 -2.695 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.272 -1.677 3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.330 -1.229 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.001 -2.117 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.614 -1.477 7.458 1.00 0.00 H new ATOM 186 N LYS A 15 -3.255 -1.303 3.530 1.00 0.00 N ATOM 187 CA LYS A 15 -4.526 -1.295 4.244 1.00 0.00 C ATOM 188 C LYS A 15 -5.289 -2.595 4.012 1.00 0.00 C ATOM 189 O LYS A 15 -5.868 -3.161 4.941 1.00 0.00 O ATOM 190 CB LYS A 15 -5.378 -0.105 3.796 1.00 0.00 C ATOM 191 CG LYS A 15 -6.806 -0.150 4.314 1.00 0.00 C ATOM 192 CD LYS A 15 -7.770 0.521 3.350 1.00 0.00 C ATOM 193 CE LYS A 15 -7.601 2.033 3.355 1.00 0.00 C ATOM 194 NZ LYS A 15 -8.241 2.659 4.545 1.00 0.00 N ATOM 0 H LYS A 15 -3.226 -0.692 2.714 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.315 -1.203 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.906 0.817 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.396 -0.072 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.106 -1.187 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.858 0.344 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.604 0.139 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.794 0.267 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.539 2.280 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.037 2.450 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.104 3.689 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.259 2.445 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.808 2.280 5.411 1.00 0.00 H new ATOM 208 N TYR A 16 -5.284 -3.065 2.770 1.00 0.00 N ATOM 209 CA TYR A 16 -5.977 -4.299 2.417 1.00 0.00 C ATOM 210 C TYR A 16 -5.050 -5.503 2.557 1.00 0.00 C ATOM 211 O TYR A 16 -5.482 -6.651 2.450 1.00 0.00 O ATOM 212 CB TYR A 16 -6.511 -4.217 0.986 1.00 0.00 C ATOM 213 CG TYR A 16 -7.459 -3.060 0.759 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.369 -2.680 1.737 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.443 -2.347 -0.433 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.237 -1.625 1.534 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.306 -1.290 -0.645 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.202 -0.933 0.341 1.00 0.00 C ATOM 219 OH TYR A 16 -10.064 0.120 0.135 1.00 0.00 O ATOM 0 H TYR A 16 -4.808 -2.611 1.991 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.814 -4.425 3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.670 -4.127 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.023 -5.148 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.398 -3.219 2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.743 -2.624 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.939 -1.343 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.280 -0.746 -1.578 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.909 0.500 -0.755 1.00 0.00 H new ATOM 229 N THR A 17 -3.771 -5.232 2.798 1.00 0.00 N ATOM 230 CA THR A 17 -2.781 -6.291 2.953 1.00 0.00 C ATOM 231 C THR A 17 -2.149 -6.254 4.339 1.00 0.00 C ATOM 232 O THR A 17 -2.073 -5.199 4.968 1.00 0.00 O ATOM 233 CB THR A 17 -1.671 -6.181 1.891 1.00 0.00 C ATOM 234 OG1 THR A 17 -0.912 -4.984 2.098 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.260 -6.178 0.489 1.00 0.00 C ATOM 0 H THR A 17 -3.396 -4.288 2.890 1.00 0.00 H new ATOM 0 HA THR A 17 -3.306 -7.237 2.822 1.00 0.00 H new ATOM 0 HB THR A 17 -1.017 -7.047 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.470 -4.204 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.456 -6.099 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.812 -7.103 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.935 -5.329 0.380 1.00 0.00 H new ATOM 243 N GLU A 18 -1.696 -7.412 4.809 1.00 0.00 N ATOM 244 CA GLU A 18 -1.071 -7.511 6.122 1.00 0.00 C ATOM 245 C GLU A 18 0.349 -8.059 6.009 1.00 0.00 C ATOM 246 O GLU A 18 0.558 -9.272 5.998 1.00 0.00 O ATOM 247 CB GLU A 18 -1.903 -8.407 7.042 1.00 0.00 C ATOM 248 CG GLU A 18 -1.530 -8.284 8.510 1.00 0.00 C ATOM 249 CD GLU A 18 -2.305 -9.246 9.391 1.00 0.00 C ATOM 250 OE1 GLU A 18 -3.444 -9.602 9.023 1.00 0.00 O ATOM 251 OE2 GLU A 18 -1.772 -9.641 10.449 1.00 0.00 O ATOM 0 H GLU A 18 -1.750 -8.294 4.300 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.023 -6.509 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.957 -8.158 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.783 -9.445 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.462 -8.470 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.714 -7.263 8.844 1.00 0.00 H new ATOM 258 N GLU A 19 1.321 -7.156 5.924 1.00 0.00 N ATOM 259 CA GLU A 19 2.720 -7.549 5.810 1.00 0.00 C ATOM 260 C GLU A 19 3.053 -8.669 6.792 1.00 0.00 C ATOM 261 O GLU A 19 2.595 -8.664 7.935 1.00 0.00 O ATOM 262 CB GLU A 19 3.633 -6.347 6.062 1.00 0.00 C ATOM 263 CG GLU A 19 5.102 -6.633 5.797 1.00 0.00 C ATOM 264 CD GLU A 19 6.018 -5.588 6.406 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.603 -4.414 6.495 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.150 -5.946 6.793 1.00 0.00 O ATOM 0 H GLU A 19 1.165 -6.148 5.932 1.00 0.00 H new ATOM 0 HA GLU A 19 2.886 -7.916 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.313 -5.519 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.515 -6.022 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.356 -7.613 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.272 -6.677 4.721 1.00 0.00 H new ATOM 273 N LEU A 20 3.851 -9.629 6.337 1.00 0.00 N ATOM 274 CA LEU A 20 4.245 -10.756 7.174 1.00 0.00 C ATOM 275 C LEU A 20 5.739 -10.712 7.479 1.00 0.00 C ATOM 276 O LEU A 20 6.546 -10.325 6.633 1.00 0.00 O ATOM 277 CB LEU A 20 3.893 -12.076 6.486 1.00 0.00 C ATOM 278 CG LEU A 20 2.475 -12.181 5.923 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.240 -13.558 5.322 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.448 -11.889 7.008 1.00 0.00 C ATOM 0 H LEU A 20 4.238 -9.649 5.393 1.00 0.00 H new ATOM 0 HA LEU A 20 3.698 -10.686 8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.599 -12.238 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.040 -12.886 7.201 1.00 0.00 H new ATOM 0 HG LEU A 20 2.362 -11.438 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.226 -13.614 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.954 -13.730 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.372 -14.318 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.444 -11.968 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.561 -12.608 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.602 -10.881 7.393 1.00 0.00 H new ATOM 292 N LYS A 21 6.102 -11.114 8.692 1.00 0.00 N ATOM 293 CA LYS A 21 7.500 -11.124 9.109 1.00 0.00 C ATOM 294 C LYS A 21 8.390 -11.705 8.015 1.00 0.00 C ATOM 295 O LYS A 21 9.538 -11.293 7.852 1.00 0.00 O ATOM 296 CB LYS A 21 7.663 -11.933 10.398 1.00 0.00 C ATOM 297 CG LYS A 21 9.081 -11.932 10.941 1.00 0.00 C ATOM 298 CD LYS A 21 9.408 -10.625 11.644 1.00 0.00 C ATOM 299 CE LYS A 21 10.875 -10.557 12.040 1.00 0.00 C ATOM 300 NZ LYS A 21 11.142 -11.293 13.307 1.00 0.00 N ATOM 0 H LYS A 21 5.447 -11.437 9.404 1.00 0.00 H new ATOM 0 HA LYS A 21 7.806 -10.094 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.992 -11.531 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.354 -12.962 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.206 -12.762 11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.785 -12.093 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.168 -9.788 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.785 -10.523 12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.487 -10.976 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.172 -9.515 12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.152 -11.223 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.578 -10.878 14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.883 -12.293 13.189 1.00 0.00 H new ATOM 314 N VAL A 22 7.851 -12.663 7.267 1.00 0.00 N ATOM 315 CA VAL A 22 8.596 -13.298 6.187 1.00 0.00 C ATOM 316 C VAL A 22 7.658 -13.801 5.095 1.00 0.00 C ATOM 317 O VAL A 22 6.590 -14.341 5.380 1.00 0.00 O ATOM 318 CB VAL A 22 9.441 -14.477 6.705 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.114 -15.201 5.549 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.471 -13.991 7.713 1.00 0.00 C ATOM 0 H VAL A 22 6.902 -13.016 7.389 1.00 0.00 H new ATOM 0 HA VAL A 22 9.260 -12.540 5.772 1.00 0.00 H new ATOM 0 HB VAL A 22 8.779 -15.183 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.706 -16.031 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.354 -15.584 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.764 -14.508 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.059 -14.837 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.130 -13.265 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.963 -13.523 8.556 1.00 0.00 H new ATOM 330 N ALA A 23 8.066 -13.619 3.843 1.00 0.00 N ATOM 331 CA ALA A 23 7.264 -14.056 2.707 1.00 0.00 C ATOM 332 C ALA A 23 6.777 -15.489 2.898 1.00 0.00 C ATOM 333 O ALA A 23 7.548 -16.396 3.212 1.00 0.00 O ATOM 334 CB ALA A 23 8.063 -13.936 1.418 1.00 0.00 C ATOM 0 H ALA A 23 8.947 -13.172 3.590 1.00 0.00 H new ATOM 0 HA ALA A 23 6.390 -13.408 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.451 -14.266 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.356 -12.897 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.955 -14.559 1.484 1.00 0.00 H new ATOM 340 N PRO A 24 5.466 -15.700 2.705 1.00 0.00 N ATOM 341 CA PRO A 24 4.848 -17.021 2.851 1.00 0.00 C ATOM 342 C PRO A 24 5.265 -17.982 1.744 1.00 0.00 C ATOM 343 O PRO A 24 6.010 -17.612 0.837 1.00 0.00 O ATOM 344 CB PRO A 24 3.349 -16.722 2.763 1.00 0.00 C ATOM 345 CG PRO A 24 3.260 -15.459 1.978 1.00 0.00 C ATOM 346 CD PRO A 24 4.488 -14.666 2.330 1.00 0.00 C ATOM 0 HA PRO A 24 5.146 -17.510 3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.812 -17.533 2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.910 -16.604 3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.222 -15.666 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.354 -14.907 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.837 -14.070 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.298 -13.975 3.152 1.00 0.00 H new ATOM 354 N GLU A 25 4.780 -19.217 1.824 1.00 0.00 N ATOM 355 CA GLU A 25 5.104 -20.231 0.828 1.00 0.00 C ATOM 356 C GLU A 25 4.150 -20.152 -0.360 1.00 0.00 C ATOM 357 O GLU A 25 3.833 -21.164 -0.983 1.00 0.00 O ATOM 358 CB GLU A 25 5.046 -21.628 1.450 1.00 0.00 C ATOM 359 CG GLU A 25 6.058 -21.841 2.563 1.00 0.00 C ATOM 360 CD GLU A 25 6.439 -23.299 2.733 1.00 0.00 C ATOM 361 OE1 GLU A 25 5.727 -24.015 3.468 1.00 0.00 O ATOM 362 OE2 GLU A 25 7.448 -23.723 2.133 1.00 0.00 O ATOM 0 H GLU A 25 4.161 -19.539 2.568 1.00 0.00 H new ATOM 0 HA GLU A 25 6.117 -20.042 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.044 -21.800 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.214 -22.371 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.954 -21.257 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.647 -21.465 3.500 1.00 0.00 H new ATOM 369 N GLU A 26 3.695 -18.940 -0.666 1.00 0.00 N ATOM 370 CA GLU A 26 2.776 -18.729 -1.778 1.00 0.00 C ATOM 371 C GLU A 26 3.532 -18.329 -3.042 1.00 0.00 C ATOM 372 O GLU A 26 4.763 -18.291 -3.055 1.00 0.00 O ATOM 373 CB GLU A 26 1.750 -17.651 -1.423 1.00 0.00 C ATOM 374 CG GLU A 26 0.706 -18.111 -0.419 1.00 0.00 C ATOM 375 CD GLU A 26 -0.362 -18.985 -1.049 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.001 -19.935 -1.774 1.00 0.00 O ATOM 377 OE2 GLU A 26 -1.560 -18.720 -0.816 1.00 0.00 O ATOM 0 H GLU A 26 3.948 -18.091 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 26 2.256 -19.668 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.272 -16.783 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.247 -17.326 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.196 -18.663 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.236 -17.239 0.036 1.00 0.00 H new ATOM 384 N ASP A 27 2.788 -18.033 -4.101 1.00 0.00 N ATOM 385 CA ASP A 27 3.387 -17.636 -5.370 1.00 0.00 C ATOM 386 C ASP A 27 2.619 -16.475 -5.994 1.00 0.00 C ATOM 387 O ASP A 27 1.411 -16.566 -6.219 1.00 0.00 O ATOM 388 CB ASP A 27 3.419 -18.821 -6.336 1.00 0.00 C ATOM 389 CG ASP A 27 3.510 -20.152 -5.617 1.00 0.00 C ATOM 390 OD1 ASP A 27 4.264 -20.242 -4.625 1.00 0.00 O ATOM 391 OD2 ASP A 27 2.825 -21.105 -6.044 1.00 0.00 O ATOM 0 H ASP A 27 1.768 -18.060 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 27 4.408 -17.309 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.522 -18.806 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.271 -18.715 -7.008 1.00 0.00 H new ATOM 396 N CYS A 28 3.326 -15.385 -6.271 1.00 0.00 N ATOM 397 CA CYS A 28 2.711 -14.205 -6.868 1.00 0.00 C ATOM 398 C CYS A 28 2.376 -14.451 -8.336 1.00 0.00 C ATOM 399 O CYS A 28 3.268 -14.643 -9.163 1.00 0.00 O ATOM 400 CB CYS A 28 3.644 -12.999 -6.741 1.00 0.00 C ATOM 401 SG CYS A 28 3.026 -11.492 -7.557 1.00 0.00 S ATOM 0 H CYS A 28 4.326 -15.294 -6.092 1.00 0.00 H new ATOM 0 HA CYS A 28 1.785 -13.997 -6.332 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.805 -12.787 -5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.614 -13.257 -7.165 1.00 0.00 H new ATOM 406 N ILE A 29 1.086 -14.441 -8.652 1.00 0.00 N ATOM 407 CA ILE A 29 0.633 -14.661 -10.020 1.00 0.00 C ATOM 408 C ILE A 29 0.716 -13.378 -10.840 1.00 0.00 C ATOM 409 O ILE A 29 0.706 -13.413 -12.070 1.00 0.00 O ATOM 410 CB ILE A 29 -0.814 -15.187 -10.057 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.768 -14.165 -9.435 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.911 -16.520 -9.330 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.955 -14.791 -8.738 1.00 0.00 C ATOM 0 H ILE A 29 0.336 -14.283 -7.979 1.00 0.00 H new ATOM 0 HA ILE A 29 1.295 -15.411 -10.454 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.103 -15.340 -11.097 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.217 -13.555 -8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.128 -13.494 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.940 -16.879 -9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.257 -17.246 -9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.606 -16.391 -8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.587 -14.007 -8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.530 -15.378 -9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.605 -15.440 -7.935 1.00 0.00 H new ATOM 425 N ILE A 30 0.800 -12.246 -10.149 1.00 0.00 N ATOM 426 CA ILE A 30 0.889 -10.951 -10.813 1.00 0.00 C ATOM 427 C ILE A 30 2.165 -10.844 -11.641 1.00 0.00 C ATOM 428 O ILE A 30 2.137 -10.400 -12.789 1.00 0.00 O ATOM 429 CB ILE A 30 0.850 -9.794 -9.797 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.499 -9.764 -9.076 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.113 -8.468 -10.495 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.570 -8.733 -7.971 1.00 0.00 C ATOM 0 H ILE A 30 0.808 -12.199 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 30 0.024 -10.874 -11.472 1.00 0.00 H new ATOM 0 HB ILE A 30 1.633 -9.954 -9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.286 -9.561 -9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.699 -10.750 -8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.082 -7.660 -9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.095 -8.494 -10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.350 -8.299 -11.255 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.554 -8.768 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.194 -8.947 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.401 -7.740 -8.388 1.00 0.00 H new ATOM 444 N CYS A 31 3.282 -11.254 -11.051 1.00 0.00 N ATOM 445 CA CYS A 31 4.570 -11.206 -11.734 1.00 0.00 C ATOM 446 C CYS A 31 5.134 -12.611 -11.930 1.00 0.00 C ATOM 447 O CYS A 31 6.270 -12.778 -12.374 1.00 0.00 O ATOM 448 CB CYS A 31 5.560 -10.354 -10.939 1.00 0.00 C ATOM 449 SG CYS A 31 5.996 -11.044 -9.310 1.00 0.00 S ATOM 0 H CYS A 31 3.322 -11.623 -10.101 1.00 0.00 H new ATOM 0 HA CYS A 31 4.417 -10.754 -12.714 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.471 -10.232 -11.525 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.136 -9.360 -10.799 1.00 0.00 H new ATOM 454 N MET A 32 4.332 -13.616 -11.597 1.00 0.00 N ATOM 455 CA MET A 32 4.750 -15.006 -11.738 1.00 0.00 C ATOM 456 C MET A 32 6.156 -15.210 -11.183 1.00 0.00 C ATOM 457 O MET A 32 7.043 -15.702 -11.880 1.00 0.00 O ATOM 458 CB MET A 32 4.704 -15.428 -13.208 1.00 0.00 C ATOM 459 CG MET A 32 5.582 -14.578 -14.112 1.00 0.00 C ATOM 460 SD MET A 32 5.674 -15.220 -15.795 1.00 0.00 S ATOM 461 CE MET A 32 3.936 -15.298 -16.223 1.00 0.00 C ATOM 0 H MET A 32 3.389 -13.494 -11.228 1.00 0.00 H new ATOM 0 HA MET A 32 4.059 -15.627 -11.167 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.015 -16.470 -13.288 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.674 -15.375 -13.561 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.193 -13.560 -14.136 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.586 -14.526 -13.692 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.832 -15.417 -17.301 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.475 -16.147 -15.718 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.443 -14.378 -15.910 1.00 0.00 H new ATOM 471 N GLU A 33 6.352 -14.827 -9.925 1.00 0.00 N ATOM 472 CA GLU A 33 7.651 -14.967 -9.278 1.00 0.00 C ATOM 473 C GLU A 33 7.489 -15.340 -7.807 1.00 0.00 C ATOM 474 O GLU A 33 6.581 -14.859 -7.129 1.00 0.00 O ATOM 475 CB GLU A 33 8.450 -13.668 -9.401 1.00 0.00 C ATOM 476 CG GLU A 33 8.950 -13.392 -10.809 1.00 0.00 C ATOM 477 CD GLU A 33 10.236 -14.130 -11.126 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.456 -15.214 -10.545 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.023 -13.625 -11.953 1.00 0.00 O ATOM 0 H GLU A 33 5.628 -14.418 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 33 8.194 -15.768 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.826 -12.835 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.303 -13.710 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.183 -13.682 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.111 -12.321 -10.930 1.00 0.00 H new ATOM 486 N LYS A 34 8.376 -16.201 -7.320 1.00 0.00 N ATOM 487 CA LYS A 34 8.334 -16.639 -5.930 1.00 0.00 C ATOM 488 C LYS A 34 8.485 -15.455 -4.981 1.00 0.00 C ATOM 489 O LYS A 34 9.430 -14.673 -5.093 1.00 0.00 O ATOM 490 CB LYS A 34 9.439 -17.664 -5.663 1.00 0.00 C ATOM 491 CG LYS A 34 9.053 -19.085 -6.035 1.00 0.00 C ATOM 492 CD LYS A 34 9.461 -19.420 -7.460 1.00 0.00 C ATOM 493 CE LYS A 34 8.349 -19.102 -8.447 1.00 0.00 C ATOM 494 NZ LYS A 34 8.338 -20.051 -9.595 1.00 0.00 N ATOM 0 H LYS A 34 9.133 -16.610 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 34 7.364 -17.104 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.330 -17.380 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.704 -17.633 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.528 -19.784 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.976 -19.211 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.356 -18.857 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.717 -20.477 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.387 -19.140 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.473 -18.085 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.566 -19.801 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.246 -19.997 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.194 -21.019 -9.244 1.00 0.00 H new ATOM 508 N LEU A 35 7.549 -15.328 -4.047 1.00 0.00 N ATOM 509 CA LEU A 35 7.579 -14.239 -3.076 1.00 0.00 C ATOM 510 C LEU A 35 8.981 -14.060 -2.503 1.00 0.00 C ATOM 511 O LEU A 35 9.404 -12.941 -2.212 1.00 0.00 O ATOM 512 CB LEU A 35 6.584 -14.510 -1.946 1.00 0.00 C ATOM 513 CG LEU A 35 5.138 -14.765 -2.372 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.317 -15.274 -1.197 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.520 -13.500 -2.948 1.00 0.00 C ATOM 0 H LEU A 35 6.760 -15.965 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 35 7.296 -13.319 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.933 -15.374 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.597 -13.658 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 35 5.138 -15.531 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.291 -15.450 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.747 -16.206 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.325 -14.531 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.491 -13.701 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.533 -12.713 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.093 -13.179 -3.818 1.00 0.00 H new ATOM 527 N ALA A 36 9.696 -15.168 -2.344 1.00 0.00 N ATOM 528 CA ALA A 36 11.052 -15.132 -1.810 1.00 0.00 C ATOM 529 C ALA A 36 11.930 -14.172 -2.605 1.00 0.00 C ATOM 530 O ALA A 36 12.733 -13.433 -2.035 1.00 0.00 O ATOM 531 CB ALA A 36 11.657 -16.528 -1.811 1.00 0.00 C ATOM 0 H ALA A 36 9.359 -16.102 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 36 11.002 -14.771 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.670 -16.486 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.049 -17.189 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.687 -16.911 -2.831 1.00 0.00 H new ATOM 537 N VAL A 37 11.774 -14.190 -3.925 1.00 0.00 N ATOM 538 CA VAL A 37 12.553 -13.320 -4.798 1.00 0.00 C ATOM 539 C VAL A 37 12.006 -11.897 -4.787 1.00 0.00 C ATOM 540 O VAL A 37 10.986 -11.618 -4.156 1.00 0.00 O ATOM 541 CB VAL A 37 12.562 -13.843 -6.247 1.00 0.00 C ATOM 542 CG1 VAL A 37 12.986 -15.303 -6.285 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.195 -13.659 -6.888 1.00 0.00 C ATOM 0 H VAL A 37 11.116 -14.797 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 37 13.573 -13.317 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 37 13.287 -13.264 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.986 -15.655 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.988 -15.402 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.288 -15.900 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.220 -14.034 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.448 -14.211 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.936 -12.600 -6.896 1.00 0.00 H new ATOM 553 N ALA A 38 12.690 -11.000 -5.489 1.00 0.00 N ATOM 554 CA ALA A 38 12.272 -9.606 -5.562 1.00 0.00 C ATOM 555 C ALA A 38 11.100 -9.434 -6.524 1.00 0.00 C ATOM 556 O ALA A 38 10.961 -10.187 -7.488 1.00 0.00 O ATOM 557 CB ALA A 38 13.438 -8.726 -5.986 1.00 0.00 C ATOM 0 H ALA A 38 13.537 -11.214 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 38 11.942 -9.299 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.111 -7.688 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.246 -8.817 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.794 -9.042 -6.966 1.00 0.00 H new ATOM 563 N SER A 39 10.261 -8.440 -6.254 1.00 0.00 N ATOM 564 CA SER A 39 9.098 -8.172 -7.093 1.00 0.00 C ATOM 565 C SER A 39 9.521 -7.871 -8.528 1.00 0.00 C ATOM 566 O SER A 39 10.569 -7.271 -8.765 1.00 0.00 O ATOM 567 CB SER A 39 8.295 -6.998 -6.529 1.00 0.00 C ATOM 568 OG SER A 39 7.218 -6.659 -7.385 1.00 0.00 O ATOM 0 H SER A 39 10.364 -7.807 -5.461 1.00 0.00 H new ATOM 0 HA SER A 39 8.471 -9.063 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.912 -7.256 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.948 -6.135 -6.401 1.00 0.00 H new ATOM 0 HG SER A 39 6.534 -7.360 -7.344 1.00 0.00 H new ATOM 574 N GLY A 40 8.698 -8.294 -9.482 1.00 0.00 N ATOM 575 CA GLY A 40 9.003 -8.061 -10.882 1.00 0.00 C ATOM 576 C GLY A 40 8.828 -6.609 -11.280 1.00 0.00 C ATOM 577 O GLY A 40 9.532 -6.110 -12.158 1.00 0.00 O ATOM 0 H GLY A 40 7.825 -8.794 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.029 -8.368 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.357 -8.684 -11.500 1.00 0.00 H new ATOM 581 N TYR A 41 7.887 -5.930 -10.634 1.00 0.00 N ATOM 582 CA TYR A 41 7.619 -4.527 -10.929 1.00 0.00 C ATOM 583 C TYR A 41 8.701 -3.630 -10.337 1.00 0.00 C ATOM 584 O TYR A 41 8.875 -2.487 -10.759 1.00 0.00 O ATOM 585 CB TYR A 41 6.249 -4.122 -10.381 1.00 0.00 C ATOM 586 CG TYR A 41 5.092 -4.612 -11.222 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.575 -5.890 -11.051 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.515 -3.795 -12.187 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.518 -6.341 -11.818 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.457 -4.238 -12.957 1.00 0.00 C ATOM 591 CZ TYR A 41 2.962 -5.511 -12.769 1.00 0.00 C ATOM 592 OH TYR A 41 1.908 -5.957 -13.534 1.00 0.00 O ATOM 0 H TYR A 41 7.297 -6.328 -9.903 1.00 0.00 H new ATOM 0 HA TYR A 41 7.621 -4.402 -12.012 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.142 -4.512 -9.369 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.202 -3.035 -10.311 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.007 -6.542 -10.306 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.900 -2.797 -12.337 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.129 -7.338 -11.674 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.020 -3.590 -13.703 1.00 0.00 H new ATOM 0 HH TYR A 41 1.633 -5.251 -14.155 1.00 0.00 H new ATOM 602 N SER A 42 9.428 -4.157 -9.357 1.00 0.00 N ATOM 603 CA SER A 42 10.492 -3.404 -8.704 1.00 0.00 C ATOM 604 C SER A 42 11.214 -2.507 -9.704 1.00 0.00 C ATOM 605 O SER A 42 11.477 -1.336 -9.427 1.00 0.00 O ATOM 606 CB SER A 42 11.489 -4.358 -8.044 1.00 0.00 C ATOM 607 OG SER A 42 12.365 -3.660 -7.175 1.00 0.00 O ATOM 0 H SER A 42 9.299 -5.103 -8.998 1.00 0.00 H new ATOM 0 HA SER A 42 10.041 -2.774 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.950 -5.122 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.067 -4.873 -8.811 1.00 0.00 H new ATOM 0 HG SER A 42 12.991 -4.292 -6.765 1.00 0.00 H new ATOM 613 N ASP A 43 11.533 -3.064 -10.866 1.00 0.00 N ATOM 614 CA ASP A 43 12.225 -2.315 -11.909 1.00 0.00 C ATOM 615 C ASP A 43 11.424 -1.081 -12.314 1.00 0.00 C ATOM 616 O ASP A 43 11.979 0.006 -12.474 1.00 0.00 O ATOM 617 CB ASP A 43 12.467 -3.203 -13.130 1.00 0.00 C ATOM 618 CG ASP A 43 13.631 -4.155 -12.932 1.00 0.00 C ATOM 619 OD1 ASP A 43 13.421 -5.232 -12.337 1.00 0.00 O ATOM 620 OD2 ASP A 43 14.752 -3.821 -13.371 1.00 0.00 O ATOM 0 H ASP A 43 11.324 -4.032 -11.110 1.00 0.00 H new ATOM 0 HA ASP A 43 13.186 -1.989 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.565 -3.776 -13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.659 -2.575 -14.000 1.00 0.00 H new ATOM 625 N MET A 44 10.117 -1.258 -12.478 1.00 0.00 N ATOM 626 CA MET A 44 9.240 -0.158 -12.864 1.00 0.00 C ATOM 627 C MET A 44 8.917 0.726 -11.664 1.00 0.00 C ATOM 628 O MET A 44 9.179 1.929 -11.677 1.00 0.00 O ATOM 629 CB MET A 44 7.947 -0.700 -13.476 1.00 0.00 C ATOM 630 CG MET A 44 7.045 0.383 -14.047 1.00 0.00 C ATOM 631 SD MET A 44 6.099 -0.183 -15.474 1.00 0.00 S ATOM 632 CE MET A 44 4.927 -1.285 -14.687 1.00 0.00 C ATOM 0 H MET A 44 9.642 -2.152 -12.350 1.00 0.00 H new ATOM 0 HA MET A 44 9.760 0.446 -13.608 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.197 -1.407 -14.267 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.398 -1.254 -12.714 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.358 0.724 -13.273 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.652 1.241 -14.335 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.063 -1.421 -15.337 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.400 -2.250 -14.505 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.604 -0.855 -13.739 1.00 0.00 H new ATOM 642 N THR A 45 8.345 0.122 -10.626 1.00 0.00 N ATOM 643 CA THR A 45 7.984 0.855 -9.419 1.00 0.00 C ATOM 644 C THR A 45 9.210 1.130 -8.556 1.00 0.00 C ATOM 645 O THR A 45 9.728 0.232 -7.892 1.00 0.00 O ATOM 646 CB THR A 45 6.945 0.084 -8.583 1.00 0.00 C ATOM 647 OG1 THR A 45 7.339 -1.287 -8.455 1.00 0.00 O ATOM 648 CG2 THR A 45 5.568 0.163 -9.225 1.00 0.00 C ATOM 0 H THR A 45 8.122 -0.873 -10.598 1.00 0.00 H new ATOM 0 HA THR A 45 7.550 1.801 -9.742 1.00 0.00 H new ATOM 0 HB THR A 45 6.895 0.541 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.293 -1.334 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.851 -0.389 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.258 1.206 -9.295 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.607 -0.271 -10.224 1.00 0.00 H new ATOM 656 N ASP A 46 9.669 2.377 -8.570 1.00 0.00 N ATOM 657 CA ASP A 46 10.834 2.771 -7.786 1.00 0.00 C ATOM 658 C ASP A 46 10.411 3.409 -6.467 1.00 0.00 C ATOM 659 O ASP A 46 11.121 4.251 -5.917 1.00 0.00 O ATOM 660 CB ASP A 46 11.705 3.745 -8.582 1.00 0.00 C ATOM 661 CG ASP A 46 13.041 4.005 -7.914 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.119 4.939 -7.088 1.00 0.00 O ATOM 663 OD2 ASP A 46 14.009 3.276 -8.217 1.00 0.00 O ATOM 0 H ASP A 46 9.252 3.132 -9.115 1.00 0.00 H new ATOM 0 HA ASP A 46 11.413 1.874 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.874 3.344 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.173 4.688 -8.703 1.00 0.00 H new ATOM 668 N SER A 47 9.249 3.003 -5.964 1.00 0.00 N ATOM 669 CA SER A 47 8.729 3.538 -4.712 1.00 0.00 C ATOM 670 C SER A 47 9.782 3.463 -3.610 1.00 0.00 C ATOM 671 O SER A 47 10.841 2.860 -3.786 1.00 0.00 O ATOM 672 CB SER A 47 7.474 2.773 -4.288 1.00 0.00 C ATOM 673 OG SER A 47 7.807 1.651 -3.489 1.00 0.00 O ATOM 0 H SER A 47 8.650 2.305 -6.405 1.00 0.00 H new ATOM 0 HA SER A 47 8.470 4.585 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.811 3.436 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.928 2.445 -5.172 1.00 0.00 H new ATOM 0 HG SER A 47 8.247 0.973 -4.044 1.00 0.00 H new ATOM 679 N LYS A 48 9.482 4.079 -2.472 1.00 0.00 N ATOM 680 CA LYS A 48 10.400 4.082 -1.338 1.00 0.00 C ATOM 681 C LYS A 48 9.738 3.484 -0.101 1.00 0.00 C ATOM 682 O LYS A 48 10.404 2.881 0.740 1.00 0.00 O ATOM 683 CB LYS A 48 10.869 5.508 -1.040 1.00 0.00 C ATOM 684 CG LYS A 48 9.737 6.463 -0.702 1.00 0.00 C ATOM 685 CD LYS A 48 9.233 7.188 -1.938 1.00 0.00 C ATOM 686 CE LYS A 48 8.192 8.239 -1.582 1.00 0.00 C ATOM 687 NZ LYS A 48 8.116 9.315 -2.609 1.00 0.00 N ATOM 0 H LYS A 48 8.610 4.583 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 48 11.263 3.469 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.573 5.484 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.411 5.891 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.917 5.910 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.081 7.191 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.070 7.662 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.802 6.468 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.216 7.764 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.435 8.677 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.396 10.011 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.040 9.786 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.859 8.901 -3.528 1.00 0.00 H new ATOM 701 N ALA A 49 8.425 3.654 0.003 1.00 0.00 N ATOM 702 CA ALA A 49 7.673 3.128 1.135 1.00 0.00 C ATOM 703 C ALA A 49 7.560 1.609 1.061 1.00 0.00 C ATOM 704 O ALA A 49 7.787 0.910 2.050 1.00 0.00 O ATOM 705 CB ALA A 49 6.290 3.760 1.191 1.00 0.00 C ATOM 0 H ALA A 49 7.859 4.153 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 49 8.213 3.382 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.740 3.357 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.388 4.840 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.750 3.536 0.271 1.00 0.00 H new ATOM 711 N LEU A 50 7.208 1.103 -0.116 1.00 0.00 N ATOM 712 CA LEU A 50 7.064 -0.334 -0.319 1.00 0.00 C ATOM 713 C LEU A 50 8.378 -0.953 -0.784 1.00 0.00 C ATOM 714 O LEU A 50 9.229 -0.272 -1.355 1.00 0.00 O ATOM 715 CB LEU A 50 5.964 -0.616 -1.344 1.00 0.00 C ATOM 716 CG LEU A 50 4.526 -0.452 -0.848 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.565 -0.357 -2.022 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.142 -1.606 0.066 1.00 0.00 C ATOM 0 H LEU A 50 7.017 1.667 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 50 6.789 -0.785 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.111 0.047 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.087 -1.636 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 50 4.462 0.474 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.547 -0.241 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.827 0.503 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.631 -1.265 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.116 -1.473 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.222 -2.545 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.812 -1.628 0.925 1.00 0.00 H new ATOM 730 N GLY A 51 8.536 -2.250 -0.536 1.00 0.00 N ATOM 731 CA GLY A 51 9.749 -2.939 -0.937 1.00 0.00 C ATOM 732 C GLY A 51 9.473 -4.098 -1.874 1.00 0.00 C ATOM 733 O GLY A 51 8.431 -4.749 -1.801 1.00 0.00 O ATOM 0 H GLY A 51 7.846 -2.835 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.420 -2.233 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.264 -3.307 -0.050 1.00 0.00 H new ATOM 737 N PRO A 52 10.424 -4.369 -2.781 1.00 0.00 N ATOM 738 CA PRO A 52 10.300 -5.458 -3.755 1.00 0.00 C ATOM 739 C PRO A 52 10.393 -6.833 -3.102 1.00 0.00 C ATOM 740 O PRO A 52 10.061 -7.846 -3.717 1.00 0.00 O ATOM 741 CB PRO A 52 11.488 -5.230 -4.694 1.00 0.00 C ATOM 742 CG PRO A 52 12.486 -4.494 -3.870 1.00 0.00 C ATOM 743 CD PRO A 52 11.691 -3.634 -2.926 1.00 0.00 C ATOM 0 HA PRO A 52 9.333 -5.447 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.893 -6.175 -5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.195 -4.652 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.126 -5.186 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.137 -3.886 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.198 -3.514 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.532 -2.634 -3.330 1.00 0.00 H new ATOM 751 N MET A 53 10.848 -6.861 -1.854 1.00 0.00 N ATOM 752 CA MET A 53 10.982 -8.112 -1.117 1.00 0.00 C ATOM 753 C MET A 53 9.831 -8.291 -0.133 1.00 0.00 C ATOM 754 O MET A 53 9.262 -9.377 -0.018 1.00 0.00 O ATOM 755 CB MET A 53 12.317 -8.148 -0.370 1.00 0.00 C ATOM 756 CG MET A 53 13.475 -8.649 -1.218 1.00 0.00 C ATOM 757 SD MET A 53 13.696 -10.435 -1.106 1.00 0.00 S ATOM 758 CE MET A 53 14.421 -10.787 -2.706 1.00 0.00 C ATOM 0 H MET A 53 11.130 -6.032 -1.332 1.00 0.00 H new ATOM 0 HA MET A 53 10.953 -8.932 -1.835 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.549 -7.146 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.216 -8.788 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.305 -8.372 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.393 -8.153 -0.902 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.185 -11.811 -2.995 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.017 -10.098 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.503 -10.666 -2.650 1.00 0.00 H new ATOM 768 N VAL A 54 9.491 -7.218 0.574 1.00 0.00 N ATOM 769 CA VAL A 54 8.406 -7.256 1.548 1.00 0.00 C ATOM 770 C VAL A 54 7.119 -7.774 0.916 1.00 0.00 C ATOM 771 O VAL A 54 6.771 -7.401 -0.204 1.00 0.00 O ATOM 772 CB VAL A 54 8.145 -5.864 2.153 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.548 -4.932 1.110 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.235 -5.973 3.367 1.00 0.00 C ATOM 0 H VAL A 54 9.951 -6.312 0.491 1.00 0.00 H new ATOM 0 HA VAL A 54 8.717 -7.935 2.342 1.00 0.00 H new ATOM 0 HB VAL A 54 9.097 -5.444 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.370 -3.953 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.240 -4.830 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.605 -5.344 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.061 -4.980 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.283 -6.414 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.707 -6.603 4.120 1.00 0.00 H new ATOM 784 N VAL A 55 6.414 -8.635 1.643 1.00 0.00 N ATOM 785 CA VAL A 55 5.163 -9.203 1.155 1.00 0.00 C ATOM 786 C VAL A 55 4.128 -9.293 2.271 1.00 0.00 C ATOM 787 O VAL A 55 4.471 -9.488 3.436 1.00 0.00 O ATOM 788 CB VAL A 55 5.379 -10.605 0.556 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.071 -11.162 0.014 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.441 -10.561 -0.533 1.00 0.00 C ATOM 0 H VAL A 55 6.688 -8.954 2.572 1.00 0.00 H new ATOM 0 HA VAL A 55 4.795 -8.536 0.375 1.00 0.00 H new ATOM 0 HB VAL A 55 5.729 -11.269 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.244 -12.153 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.343 -11.231 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.688 -10.501 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.581 -11.560 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.122 -9.883 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.382 -10.208 -0.110 1.00 0.00 H new ATOM 800 N GLY A 56 2.857 -9.148 1.905 1.00 0.00 N ATOM 801 CA GLY A 56 1.791 -9.217 2.887 1.00 0.00 C ATOM 802 C GLY A 56 0.577 -9.966 2.373 1.00 0.00 C ATOM 803 O GLY A 56 0.255 -9.899 1.187 1.00 0.00 O ATOM 0 H GLY A 56 2.548 -8.984 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.162 -9.707 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.497 -8.207 3.171 1.00 0.00 H new ATOM 807 N ARG A 57 -0.097 -10.681 3.267 1.00 0.00 N ATOM 808 CA ARG A 57 -1.280 -11.449 2.897 1.00 0.00 C ATOM 809 C ARG A 57 -2.546 -10.615 3.073 1.00 0.00 C ATOM 810 O ARG A 57 -2.790 -10.057 4.144 1.00 0.00 O ATOM 811 CB ARG A 57 -1.373 -12.721 3.740 1.00 0.00 C ATOM 812 CG ARG A 57 -0.781 -13.946 3.062 1.00 0.00 C ATOM 813 CD ARG A 57 -1.140 -15.223 3.806 1.00 0.00 C ATOM 814 NE ARG A 57 -0.625 -15.224 5.172 1.00 0.00 N ATOM 815 CZ ARG A 57 -1.132 -15.968 6.148 1.00 0.00 C ATOM 816 NH1 ARG A 57 -2.163 -16.768 5.910 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.609 -15.914 7.366 1.00 0.00 N ATOM 0 H ARG A 57 0.156 -10.745 4.253 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.190 -11.724 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.860 -12.557 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.420 -12.916 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.145 -14.007 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.303 -13.846 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.224 -15.338 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.739 -16.081 3.267 1.00 0.00 H new ATOM 0 HE ARG A 57 0.168 -14.620 5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.569 -16.813 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.550 -17.338 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.184 -15.300 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.000 -16.486 8.115 1.00 0.00 H new ATOM 831 N LEU A 58 -3.347 -10.534 2.017 1.00 0.00 N ATOM 832 CA LEU A 58 -4.588 -9.768 2.054 1.00 0.00 C ATOM 833 C LEU A 58 -5.342 -10.017 3.356 1.00 0.00 C ATOM 834 O LEU A 58 -5.038 -10.955 4.093 1.00 0.00 O ATOM 835 CB LEU A 58 -5.472 -10.134 0.861 1.00 0.00 C ATOM 836 CG LEU A 58 -5.057 -9.544 -0.488 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.393 -10.506 -1.617 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.731 -8.199 -0.712 1.00 0.00 C ATOM 0 H LEU A 58 -3.160 -10.990 1.124 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.335 -8.709 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.493 -11.220 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.491 -9.813 1.077 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.978 -9.389 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.091 -10.070 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.863 -11.446 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.467 -10.693 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.424 -7.794 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.813 -8.328 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.439 -7.509 0.080 1.00 0.00 H new ATOM 850 N THR A 59 -6.330 -9.171 3.633 1.00 0.00 N ATOM 851 CA THR A 59 -7.130 -9.300 4.845 1.00 0.00 C ATOM 852 C THR A 59 -8.505 -9.880 4.537 1.00 0.00 C ATOM 853 O THR A 59 -9.252 -10.249 5.443 1.00 0.00 O ATOM 854 CB THR A 59 -7.304 -7.942 5.550 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.898 -6.997 4.653 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.965 -7.411 6.039 1.00 0.00 C ATOM 0 H THR A 59 -6.595 -8.389 3.034 1.00 0.00 H new ATOM 0 HA THR A 59 -6.593 -9.979 5.508 1.00 0.00 H new ATOM 0 HB THR A 59 -7.957 -8.086 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.248 -6.747 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.113 -6.451 6.534 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.528 -8.119 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.293 -7.282 5.191 1.00 0.00 H new ATOM 864 N LYS A 60 -8.835 -9.959 3.252 1.00 0.00 N ATOM 865 CA LYS A 60 -10.121 -10.496 2.823 1.00 0.00 C ATOM 866 C LYS A 60 -10.037 -12.004 2.609 1.00 0.00 C ATOM 867 O LYS A 60 -10.600 -12.783 3.379 1.00 0.00 O ATOM 868 CB LYS A 60 -10.578 -9.812 1.533 1.00 0.00 C ATOM 869 CG LYS A 60 -12.083 -9.630 1.441 1.00 0.00 C ATOM 870 CD LYS A 60 -12.450 -8.461 0.543 1.00 0.00 C ATOM 871 CE LYS A 60 -12.325 -7.134 1.276 1.00 0.00 C ATOM 872 NZ LYS A 60 -13.515 -6.856 2.127 1.00 0.00 N ATOM 0 H LYS A 60 -8.229 -9.658 2.489 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.849 -10.298 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.097 -8.836 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.239 -10.400 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.538 -10.543 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.492 -9.466 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.802 -8.456 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.471 -8.584 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.429 -7.145 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.201 -6.329 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.391 -5.943 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.367 -6.820 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.619 -7.610 2.835 1.00 0.00 H new ATOM 886 N CYS A 61 -9.329 -12.409 1.561 1.00 0.00 N ATOM 887 CA CYS A 61 -9.169 -13.824 1.246 1.00 0.00 C ATOM 888 C CYS A 61 -7.925 -14.394 1.919 1.00 0.00 C ATOM 889 O CYS A 61 -7.713 -15.607 1.931 1.00 0.00 O ATOM 890 CB CYS A 61 -9.080 -14.024 -0.269 1.00 0.00 C ATOM 891 SG CYS A 61 -7.982 -12.839 -1.111 1.00 0.00 S ATOM 0 H CYS A 61 -8.856 -11.777 0.915 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.042 -14.356 1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.729 -15.036 -0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.080 -13.943 -0.695 1.00 0.00 H new ATOM 896 N SER A 62 -7.105 -13.511 2.480 1.00 0.00 N ATOM 897 CA SER A 62 -5.879 -13.925 3.153 1.00 0.00 C ATOM 898 C SER A 62 -4.896 -14.540 2.162 1.00 0.00 C ATOM 899 O SER A 62 -4.278 -15.568 2.439 1.00 0.00 O ATOM 900 CB SER A 62 -6.196 -14.929 4.263 1.00 0.00 C ATOM 901 OG SER A 62 -6.381 -14.274 5.506 1.00 0.00 O ATOM 0 H SER A 62 -7.267 -12.504 2.482 1.00 0.00 H new ATOM 0 HA SER A 62 -5.419 -13.040 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.096 -15.488 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.384 -15.652 4.347 1.00 0.00 H new ATOM 0 HG SER A 62 -6.584 -14.937 6.198 1.00 0.00 H new ATOM 907 N HIS A 63 -4.757 -13.902 1.004 1.00 0.00 N ATOM 908 CA HIS A 63 -3.848 -14.384 -0.030 1.00 0.00 C ATOM 909 C HIS A 63 -2.570 -13.552 -0.063 1.00 0.00 C ATOM 910 O HIS A 63 -2.616 -12.324 0.004 1.00 0.00 O ATOM 911 CB HIS A 63 -4.531 -14.345 -1.398 1.00 0.00 C ATOM 912 CG HIS A 63 -5.518 -15.453 -1.606 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.087 -15.733 -2.831 1.00 0.00 N ATOM 914 CD2 HIS A 63 -6.034 -16.354 -0.738 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.912 -16.757 -2.706 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.898 -17.152 -1.446 1.00 0.00 N ATOM 0 H HIS A 63 -5.262 -13.051 0.758 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.583 -15.414 0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.041 -13.389 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.770 -14.396 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.808 -16.431 0.315 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.498 -17.196 -3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.441 -17.925 -1.061 1.00 0.00 H new ATOM 924 N ALA A 64 -1.431 -14.228 -0.165 1.00 0.00 N ATOM 925 CA ALA A 64 -0.141 -13.551 -0.208 1.00 0.00 C ATOM 926 C ALA A 64 0.051 -12.818 -1.531 1.00 0.00 C ATOM 927 O ALA A 64 -0.474 -13.234 -2.565 1.00 0.00 O ATOM 928 CB ALA A 64 0.986 -14.548 0.014 1.00 0.00 C ATOM 0 H ALA A 64 -1.375 -15.245 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.120 -12.812 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.944 -14.028 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.866 -15.022 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.958 -15.309 -0.766 1.00 0.00 H new ATOM 934 N PHE A 65 0.805 -11.725 -1.493 1.00 0.00 N ATOM 935 CA PHE A 65 1.064 -10.933 -2.690 1.00 0.00 C ATOM 936 C PHE A 65 2.115 -9.861 -2.415 1.00 0.00 C ATOM 937 O PHE A 65 2.122 -9.240 -1.352 1.00 0.00 O ATOM 938 CB PHE A 65 -0.228 -10.281 -3.186 1.00 0.00 C ATOM 939 CG PHE A 65 -0.956 -11.099 -4.214 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.391 -11.336 -5.457 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.205 -11.631 -3.938 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.057 -12.089 -6.405 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.876 -12.385 -4.882 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.302 -12.613 -6.118 1.00 0.00 C ATOM 0 H PHE A 65 1.248 -11.367 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 65 1.445 -11.601 -3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.888 -10.109 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.007 -9.305 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.582 -10.927 -5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.659 -11.455 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.604 -12.268 -7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.848 -12.796 -4.654 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.826 -13.200 -6.858 1.00 0.00 H new ATOM 954 N HIS A 66 3.002 -9.649 -3.382 1.00 0.00 N ATOM 955 CA HIS A 66 4.058 -8.652 -3.245 1.00 0.00 C ATOM 956 C HIS A 66 3.470 -7.272 -2.970 1.00 0.00 C ATOM 957 O HIS A 66 2.950 -6.615 -3.873 1.00 0.00 O ATOM 958 CB HIS A 66 4.916 -8.610 -4.510 1.00 0.00 C ATOM 959 CG HIS A 66 5.824 -9.793 -4.658 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.492 -10.908 -5.397 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.059 -10.029 -4.156 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.483 -11.780 -5.343 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.446 -11.271 -4.597 1.00 0.00 N ATOM 0 H HIS A 66 3.011 -10.154 -4.268 1.00 0.00 H new ATOM 0 HA HIS A 66 4.684 -8.936 -2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.263 -8.553 -5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.516 -7.700 -4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.633 -9.365 -3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.502 -12.745 -5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 66 8.333 -11.726 -4.383 1.00 0.00 H new ATOM 971 N LEU A 67 3.554 -6.837 -1.717 1.00 0.00 N ATOM 972 CA LEU A 67 3.029 -5.535 -1.322 1.00 0.00 C ATOM 973 C LEU A 67 3.381 -4.470 -2.356 1.00 0.00 C ATOM 974 O LEU A 67 2.713 -3.440 -2.454 1.00 0.00 O ATOM 975 CB LEU A 67 3.582 -5.134 0.047 1.00 0.00 C ATOM 976 CG LEU A 67 3.218 -6.054 1.213 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.775 -5.508 2.518 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.709 -6.227 1.306 1.00 0.00 C ATOM 0 H LEU A 67 3.981 -7.367 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 67 1.943 -5.612 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.668 -5.082 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.229 -4.129 0.279 1.00 0.00 H new ATOM 0 HG LEU A 67 3.665 -7.032 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.506 -6.176 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.861 -5.438 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.358 -4.518 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.469 -6.885 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.240 -5.255 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.335 -6.665 0.380 1.00 0.00 H new ATOM 990 N LEU A 68 4.432 -4.725 -3.127 1.00 0.00 N ATOM 991 CA LEU A 68 4.871 -3.790 -4.157 1.00 0.00 C ATOM 992 C LEU A 68 4.075 -3.983 -5.444 1.00 0.00 C ATOM 993 O LEU A 68 3.575 -3.020 -6.027 1.00 0.00 O ATOM 994 CB LEU A 68 6.364 -3.971 -4.435 1.00 0.00 C ATOM 995 CG LEU A 68 7.036 -2.861 -5.244 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.009 -1.549 -4.475 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.466 -3.247 -5.594 1.00 0.00 C ATOM 0 H LEU A 68 4.996 -5.572 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 68 4.696 -2.778 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.882 -4.062 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.503 -4.914 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 68 6.480 -2.726 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.492 -0.771 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.976 -1.265 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.540 -1.670 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.929 -2.445 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.033 -3.410 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.461 -4.162 -6.186 1.00 0.00 H new ATOM 1009 N CYS A 69 3.959 -5.232 -5.880 1.00 0.00 N ATOM 1010 CA CYS A 69 3.222 -5.553 -7.096 1.00 0.00 C ATOM 1011 C CYS A 69 1.821 -4.949 -7.059 1.00 0.00 C ATOM 1012 O CYS A 69 1.439 -4.186 -7.947 1.00 0.00 O ATOM 1013 CB CYS A 69 3.131 -7.070 -7.277 1.00 0.00 C ATOM 1014 SG CYS A 69 4.679 -7.846 -7.841 1.00 0.00 S ATOM 0 H CYS A 69 4.366 -6.040 -5.409 1.00 0.00 H new ATOM 0 HA CYS A 69 3.761 -5.125 -7.941 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.835 -7.521 -6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.343 -7.293 -7.996 1.00 0.00 H new ATOM 1019 N LEU A 70 1.061 -5.295 -6.026 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.298 -4.787 -5.872 1.00 0.00 C ATOM 1021 C LEU A 70 -0.368 -3.305 -6.227 1.00 0.00 C ATOM 1022 O LEU A 70 -1.304 -2.860 -6.894 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.784 -5.002 -4.438 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.966 -6.457 -4.002 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.107 -6.548 -2.491 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.175 -7.073 -4.690 1.00 0.00 C ATOM 0 H LEU A 70 1.362 -5.925 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.945 -5.337 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.075 -4.526 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.736 -4.486 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.080 -7.018 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.236 -7.590 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.211 -6.147 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.976 -5.972 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.289 -8.108 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.070 -6.510 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.033 -7.043 -5.770 1.00 0.00 H new ATOM 1038 N LEU A 71 0.627 -2.547 -5.781 1.00 0.00 N ATOM 1039 CA LEU A 71 0.679 -1.114 -6.054 1.00 0.00 C ATOM 1040 C LEU A 71 0.742 -0.848 -7.555 1.00 0.00 C ATOM 1041 O LEU A 71 0.122 0.089 -8.055 1.00 0.00 O ATOM 1042 CB LEU A 71 1.890 -0.487 -5.362 1.00 0.00 C ATOM 1043 CG LEU A 71 2.080 1.015 -5.572 1.00 0.00 C ATOM 1044 CD1 LEU A 71 1.060 1.801 -4.763 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.495 1.432 -5.198 1.00 0.00 C ATOM 0 H LEU A 71 1.409 -2.900 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.231 -0.661 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.810 -0.677 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.787 -0.999 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 71 1.925 1.236 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.211 2.868 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.054 1.525 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.183 1.574 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.612 2.504 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.679 1.196 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.209 0.895 -5.822 1.00 0.00 H new ATOM 1057 N ALA A 72 1.495 -1.681 -8.267 1.00 0.00 N ATOM 1058 CA ALA A 72 1.635 -1.538 -9.711 1.00 0.00 C ATOM 1059 C ALA A 72 0.331 -1.873 -10.425 1.00 0.00 C ATOM 1060 O ALA A 72 -0.145 -1.105 -11.261 1.00 0.00 O ATOM 1061 CB ALA A 72 2.762 -2.424 -10.221 1.00 0.00 C ATOM 0 H ALA A 72 2.017 -2.461 -7.867 1.00 0.00 H new ATOM 0 HA ALA A 72 1.879 -0.498 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.856 -2.308 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.697 -2.135 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.541 -3.465 -9.986 1.00 0.00 H new ATOM 1067 N MET A 73 -0.243 -3.024 -10.091 1.00 0.00 N ATOM 1068 CA MET A 73 -1.494 -3.460 -10.702 1.00 0.00 C ATOM 1069 C MET A 73 -2.582 -2.406 -10.524 1.00 0.00 C ATOM 1070 O MET A 73 -3.320 -2.098 -11.460 1.00 0.00 O ATOM 1071 CB MET A 73 -1.948 -4.788 -10.091 1.00 0.00 C ATOM 1072 CG MET A 73 -2.900 -5.571 -10.981 1.00 0.00 C ATOM 1073 SD MET A 73 -3.632 -6.987 -10.138 1.00 0.00 S ATOM 1074 CE MET A 73 -4.694 -6.164 -8.953 1.00 0.00 C ATOM 0 H MET A 73 0.138 -3.672 -9.401 1.00 0.00 H new ATOM 0 HA MET A 73 -1.320 -3.600 -11.769 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.071 -5.401 -9.882 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.435 -4.592 -9.136 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.694 -4.909 -11.328 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.364 -5.917 -11.865 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.303 -6.315 -7.947 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.726 -5.097 -9.173 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.700 -6.578 -9.017 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.676 -1.857 -9.318 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.676 -0.840 -9.017 1.00 0.00 C ATOM 1086 C TYR A 74 -3.484 0.390 -9.899 1.00 0.00 C ATOM 1087 O TYR A 74 -4.432 0.881 -10.513 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.600 -0.440 -7.542 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.392 0.804 -7.210 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -5.773 0.753 -7.061 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -3.761 2.031 -7.048 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -6.501 1.887 -6.758 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -4.481 3.170 -6.744 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.850 3.093 -6.600 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.571 4.226 -6.299 1.00 0.00 O ATOM 0 H TYR A 74 -2.072 -2.099 -8.533 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.660 -1.262 -9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.964 -1.266 -6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.556 -0.279 -7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.286 -0.190 -7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.689 2.095 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.574 1.830 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.974 4.116 -6.620 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.962 4.990 -6.220 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.251 0.882 -9.957 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.933 2.055 -10.763 1.00 0.00 C ATOM 1107 C CYS A 75 -2.386 1.861 -12.207 1.00 0.00 C ATOM 1108 O CYS A 75 -2.994 2.750 -12.802 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.431 2.336 -10.721 1.00 0.00 C ATOM 1110 SG CYS A 75 0.011 4.048 -11.100 1.00 0.00 S ATOM 0 H CYS A 75 -1.456 0.487 -9.456 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.467 2.908 -10.345 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.053 2.085 -9.730 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.071 1.677 -11.430 1.00 0.00 H new ATOM 0 HG CYS A 75 1.302 4.187 -11.037 1.00 0.00 H new ATOM 1116 N ASN A 76 -2.085 0.693 -12.764 1.00 0.00 N ATOM 1117 CA ASN A 76 -2.459 0.383 -14.140 1.00 0.00 C ATOM 1118 C ASN A 76 -3.874 0.868 -14.440 1.00 0.00 C ATOM 1119 O ASN A 76 -4.128 1.468 -15.484 1.00 0.00 O ATOM 1120 CB ASN A 76 -2.360 -1.123 -14.390 1.00 0.00 C ATOM 1121 CG ASN A 76 -3.004 -1.534 -15.700 1.00 0.00 C ATOM 1122 OD1 ASN A 76 -2.420 -1.367 -16.771 1.00 0.00 O ATOM 1123 ND2 ASN A 76 -4.214 -2.076 -15.620 1.00 0.00 N ATOM 0 H ASN A 76 -1.583 -0.055 -12.285 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.767 0.901 -14.805 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.311 -1.420 -14.395 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.839 -1.657 -13.569 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.697 -2.373 -16.468 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.660 -2.195 -14.711 1.00 0.00 H new ATOM 1130 N GLY A 77 -4.794 0.604 -13.517 1.00 0.00 N ATOM 1131 CA GLY A 77 -6.172 1.021 -13.701 1.00 0.00 C ATOM 1132 C GLY A 77 -7.017 0.791 -12.464 1.00 0.00 C ATOM 1133 O GLY A 77 -6.548 0.220 -11.481 1.00 0.00 O ATOM 0 H GLY A 77 -4.609 0.109 -12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.196 2.079 -13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.605 0.475 -14.540 1.00 0.00 H new ATOM 1137 N ASN A 78 -8.268 1.239 -12.512 1.00 0.00 N ATOM 1138 CA ASN A 78 -9.180 1.081 -11.386 1.00 0.00 C ATOM 1139 C ASN A 78 -8.668 1.833 -10.161 1.00 0.00 C ATOM 1140 O ASN A 78 -8.733 1.332 -9.039 1.00 0.00 O ATOM 1141 CB ASN A 78 -9.358 -0.401 -11.051 1.00 0.00 C ATOM 1142 CG ASN A 78 -10.479 -1.043 -11.845 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -10.244 -1.927 -12.669 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -11.707 -0.599 -11.601 1.00 0.00 N ATOM 0 H ASN A 78 -8.673 1.714 -13.319 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.145 1.501 -11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.426 -0.930 -11.250 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.564 -0.508 -9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.501 -0.993 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.856 0.136 -10.909 1.00 0.00 H new ATOM 1151 N LYS A 79 -8.158 3.039 -10.385 1.00 0.00 N ATOM 1152 CA LYS A 79 -7.635 3.863 -9.301 1.00 0.00 C ATOM 1153 C LYS A 79 -8.763 4.598 -8.584 1.00 0.00 C ATOM 1154 O LYS A 79 -8.643 5.782 -8.268 1.00 0.00 O ATOM 1155 CB LYS A 79 -6.619 4.870 -9.843 1.00 0.00 C ATOM 1156 CG LYS A 79 -5.278 4.251 -10.197 1.00 0.00 C ATOM 1157 CD LYS A 79 -4.253 5.311 -10.563 1.00 0.00 C ATOM 1158 CE LYS A 79 -4.473 5.836 -11.973 1.00 0.00 C ATOM 1159 NZ LYS A 79 -3.198 6.268 -12.610 1.00 0.00 N ATOM 0 H LYS A 79 -8.096 3.468 -11.308 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.140 3.207 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.033 5.350 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.464 5.652 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.912 3.666 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.404 3.562 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.312 6.136 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.250 4.892 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.938 5.060 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.167 6.676 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.391 6.619 -13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.767 7.026 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.545 5.460 -12.662 1.00 0.00 H new ATOM 1173 N ASP A 80 -9.857 3.889 -8.329 1.00 0.00 N ATOM 1174 CA ASP A 80 -11.006 4.474 -7.647 1.00 0.00 C ATOM 1175 C ASP A 80 -11.023 4.077 -6.174 1.00 0.00 C ATOM 1176 O ASP A 80 -12.068 3.728 -5.627 1.00 0.00 O ATOM 1177 CB ASP A 80 -12.305 4.034 -8.322 1.00 0.00 C ATOM 1178 CG ASP A 80 -12.476 4.641 -9.701 1.00 0.00 C ATOM 1179 OD1 ASP A 80 -11.912 5.729 -9.945 1.00 0.00 O ATOM 1180 OD2 ASP A 80 -13.173 4.028 -10.536 1.00 0.00 O ATOM 0 H ASP A 80 -9.973 2.908 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.922 5.559 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.319 2.947 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.151 4.318 -7.696 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.857 4.132 -5.538 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.760 3.774 -4.135 1.00 0.00 C ATOM 1187 C GLY A 81 -10.217 2.353 -3.866 1.00 0.00 C ATOM 1188 O GLY A 81 -11.166 2.131 -3.115 1.00 0.00 O ATOM 0 H GLY A 81 -8.978 4.418 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.728 3.889 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.363 4.464 -3.545 1.00 0.00 H new ATOM 1192 N SER A 82 -9.540 1.389 -4.482 1.00 0.00 N ATOM 1193 CA SER A 82 -9.885 -0.017 -4.309 1.00 0.00 C ATOM 1194 C SER A 82 -8.715 -0.915 -4.699 1.00 0.00 C ATOM 1195 O SER A 82 -7.657 -0.434 -5.106 1.00 0.00 O ATOM 1196 CB SER A 82 -11.115 -0.369 -5.149 1.00 0.00 C ATOM 1197 OG SER A 82 -12.296 0.154 -4.567 1.00 0.00 O ATOM 0 H SER A 82 -8.750 1.556 -5.105 1.00 0.00 H new ATOM 0 HA SER A 82 -10.113 -0.183 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.996 0.027 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.199 -1.452 -5.240 1.00 0.00 H new ATOM 0 HG SER A 82 -12.060 0.833 -3.901 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.913 -2.222 -4.572 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.876 -3.190 -4.911 1.00 0.00 C ATOM 1205 C LEU A 83 -8.465 -4.588 -5.069 1.00 0.00 C ATOM 1206 O LEU A 83 -9.042 -5.138 -4.130 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.790 -3.201 -3.834 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.415 -3.708 -4.272 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.488 -5.176 -4.663 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.881 -2.872 -5.426 1.00 0.00 C ATOM 0 H LEU A 83 -9.783 -2.636 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.434 -2.893 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.676 -2.187 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.135 -3.818 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.728 -3.611 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.501 -5.520 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.826 -5.763 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.189 -5.298 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.902 -3.247 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.567 -2.937 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.791 -1.832 -5.111 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.315 -5.158 -6.260 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.831 -6.492 -6.539 1.00 0.00 C ATOM 1224 C GLN A 84 -7.719 -7.533 -6.464 1.00 0.00 C ATOM 1225 O GLN A 84 -6.548 -7.222 -6.682 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.488 -6.529 -7.920 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.418 -7.715 -8.120 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.798 -7.921 -9.573 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.381 -7.162 -10.449 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.592 -8.951 -9.838 1.00 0.00 N ATOM 0 H GLN A 84 -7.840 -4.716 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.578 -6.730 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.050 -5.608 -8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.710 -6.555 -8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.936 -8.617 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.322 -7.566 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.914 -9.555 -9.081 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.880 -9.139 -10.798 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.093 -8.770 -6.154 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.128 -9.857 -6.049 1.00 0.00 C ATOM 1241 C CYS A 85 -7.152 -10.729 -7.301 1.00 0.00 C ATOM 1242 O CYS A 85 -8.133 -11.414 -7.592 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.422 -10.711 -4.814 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.373 -12.193 -4.667 1.00 0.00 S ATOM 0 H CYS A 85 -9.058 -9.044 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.135 -9.419 -5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.293 -10.098 -3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.467 -11.020 -4.840 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.047 -10.705 -8.060 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.916 -11.488 -9.293 1.00 0.00 C ATOM 1251 C PRO A 86 -5.815 -12.985 -9.021 1.00 0.00 C ATOM 1252 O PRO A 86 -5.498 -13.768 -9.916 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.614 -10.967 -9.907 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.830 -10.449 -8.751 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.839 -9.912 -7.773 1.00 0.00 C ATOM 0 HA PRO A 86 -6.785 -11.375 -9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.076 -11.760 -10.426 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.807 -10.182 -10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.232 -11.240 -8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.139 -9.668 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.508 -10.042 -6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.014 -8.846 -7.920 1.00 0.00 H new ATOM 1263 N SER A 87 -6.085 -13.376 -7.780 1.00 0.00 N ATOM 1264 CA SER A 87 -6.022 -14.779 -7.389 1.00 0.00 C ATOM 1265 C SER A 87 -7.422 -15.355 -7.202 1.00 0.00 C ATOM 1266 O SER A 87 -7.705 -16.478 -7.621 1.00 0.00 O ATOM 1267 CB SER A 87 -5.217 -14.935 -6.097 1.00 0.00 C ATOM 1268 OG SER A 87 -4.765 -16.268 -5.936 1.00 0.00 O ATOM 0 H SER A 87 -6.350 -12.740 -7.028 1.00 0.00 H new ATOM 0 HA SER A 87 -5.525 -15.331 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.363 -14.258 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.834 -14.651 -5.244 1.00 0.00 H new ATOM 0 HG SER A 87 -4.252 -16.341 -5.104 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.295 -14.578 -6.570 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.666 -15.009 -6.326 1.00 0.00 C ATOM 1276 C CYS A 88 -10.662 -14.011 -6.910 1.00 0.00 C ATOM 1277 O CYS A 88 -11.874 -14.167 -6.762 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.912 -15.171 -4.824 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.417 -13.728 -3.829 1.00 0.00 S ATOM 0 H CYS A 88 -8.077 -13.646 -6.217 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.811 -15.971 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.972 -15.366 -4.659 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.368 -16.047 -4.470 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.142 -12.985 -7.575 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.983 -11.962 -8.185 1.00 0.00 C ATOM 1286 C LYS A 89 -11.850 -11.275 -7.135 1.00 0.00 C ATOM 1287 O LYS A 89 -13.025 -10.993 -7.372 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.869 -12.580 -9.269 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.208 -12.637 -10.635 1.00 0.00 C ATOM 1290 CD LYS A 89 -9.990 -13.546 -10.627 1.00 0.00 C ATOM 1291 CE LYS A 89 -8.707 -12.756 -10.417 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.395 -11.884 -11.583 1.00 0.00 N ATOM 0 H LYS A 89 -9.141 -12.840 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.332 -11.215 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.147 -13.590 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.791 -12.004 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.926 -12.995 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.912 -11.633 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.094 -14.289 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.934 -14.089 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.800 -12.143 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.880 -13.445 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.496 -12.185 -12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.157 -11.960 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.314 -10.897 -11.266 1.00 0.00 H new ATOM 1306 N THR A 90 -11.264 -11.007 -5.972 1.00 0.00 N ATOM 1307 CA THR A 90 -11.983 -10.353 -4.886 1.00 0.00 C ATOM 1308 C THR A 90 -11.762 -8.845 -4.910 1.00 0.00 C ATOM 1309 O THR A 90 -10.629 -8.372 -4.813 1.00 0.00 O ATOM 1310 CB THR A 90 -11.549 -10.902 -3.514 1.00 0.00 C ATOM 1311 OG1 THR A 90 -11.849 -12.299 -3.428 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.249 -10.157 -2.387 1.00 0.00 C ATOM 0 H THR A 90 -10.293 -11.233 -5.758 1.00 0.00 H new ATOM 0 HA THR A 90 -13.042 -10.565 -5.035 1.00 0.00 H new ATOM 0 HB THR A 90 -10.474 -10.755 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.241 -12.801 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.927 -10.562 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.995 -9.098 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.328 -10.276 -2.487 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.850 -8.094 -5.041 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.774 -6.639 -5.076 1.00 0.00 C ATOM 1322 C ILE A 91 -12.816 -6.052 -3.669 1.00 0.00 C ATOM 1323 O ILE A 91 -13.640 -6.448 -2.844 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.922 -6.035 -5.906 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.802 -6.462 -7.370 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.920 -4.518 -5.788 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.093 -6.328 -8.146 1.00 0.00 C ATOM 0 H ILE A 91 -13.795 -8.469 -5.125 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.824 -6.384 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.869 -6.409 -5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.033 -5.860 -7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.469 -7.499 -7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.737 -4.106 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.050 -4.234 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.972 -4.126 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.934 -6.648 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.860 -6.952 -7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.417 -5.287 -8.136 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.923 -5.105 -3.402 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.856 -4.464 -2.094 1.00 0.00 C ATOM 1341 C TYR A 92 -12.415 -3.045 -2.155 1.00 0.00 C ATOM 1342 O TYR A 92 -12.315 -2.369 -3.177 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.412 -4.434 -1.591 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.876 -5.795 -1.208 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.965 -6.869 -2.085 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.282 -6.007 0.029 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.477 -8.115 -1.740 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.790 -7.249 0.382 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.890 -8.299 -0.506 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.402 -9.538 -0.157 1.00 0.00 O ATOM 0 H TYR A 92 -11.236 -4.764 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.463 -5.046 -1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.775 -4.007 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.351 -3.772 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.423 -6.728 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.203 -5.187 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.555 -8.940 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.330 -7.396 1.348 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.581 -10.175 -0.880 1.00 0.00 H new ATOM 1360 N GLY A 93 -13.005 -2.601 -1.049 1.00 0.00 N ATOM 1361 CA GLY A 93 -13.571 -1.266 -0.995 1.00 0.00 C ATOM 1362 C GLY A 93 -15.017 -1.231 -1.449 1.00 0.00 C ATOM 1363 O GLY A 93 -15.925 -1.531 -0.675 1.00 0.00 O ATOM 0 H GLY A 93 -13.101 -3.142 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.504 -0.887 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.980 -0.598 -1.622 1.00 0.00 H new ATOM 1367 N GLU A 94 -15.231 -0.861 -2.708 1.00 0.00 N ATOM 1368 CA GLU A 94 -16.578 -0.786 -3.262 1.00 0.00 C ATOM 1369 C GLU A 94 -16.965 -2.100 -3.934 1.00 0.00 C ATOM 1370 O GLU A 94 -16.243 -2.609 -4.792 1.00 0.00 O ATOM 1371 CB GLU A 94 -16.675 0.362 -4.270 1.00 0.00 C ATOM 1372 CG GLU A 94 -15.931 0.097 -5.568 1.00 0.00 C ATOM 1373 CD GLU A 94 -16.026 1.254 -6.542 1.00 0.00 C ATOM 1374 OE1 GLU A 94 -17.096 1.420 -7.164 1.00 0.00 O ATOM 1375 OE2 GLU A 94 -15.030 1.995 -6.682 1.00 0.00 O ATOM 0 H GLU A 94 -14.490 -0.609 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 94 -17.271 -0.600 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -17.725 0.549 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -16.280 1.270 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.882 -0.102 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -16.334 -0.801 -6.036 1.00 0.00 H new ATOM 1382 N LYS A 95 -18.109 -2.647 -3.536 1.00 0.00 N ATOM 1383 CA LYS A 95 -18.594 -3.902 -4.097 1.00 0.00 C ATOM 1384 C LYS A 95 -20.053 -3.778 -4.526 1.00 0.00 C ATOM 1385 O LYS A 95 -20.442 -4.265 -5.588 1.00 0.00 O ATOM 1386 CB LYS A 95 -18.445 -5.032 -3.077 1.00 0.00 C ATOM 1387 CG LYS A 95 -17.009 -5.282 -2.651 1.00 0.00 C ATOM 1388 CD LYS A 95 -16.826 -6.687 -2.101 1.00 0.00 C ATOM 1389 CE LYS A 95 -17.047 -6.729 -0.597 1.00 0.00 C ATOM 1390 NZ LYS A 95 -18.472 -6.989 -0.253 1.00 0.00 N ATOM 0 H LYS A 95 -18.718 -2.240 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 95 -17.993 -4.134 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -19.041 -4.795 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.854 -5.949 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.345 -5.135 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.721 -4.553 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.524 -7.365 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.822 -7.042 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.420 -7.506 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.734 -5.782 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.708 -6.505 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.084 -6.632 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.621 -8.012 -0.140 1.00 0.00 H new ATOM 1404 N THR A 96 -20.856 -3.123 -3.693 1.00 0.00 N ATOM 1405 CA THR A 96 -22.271 -2.935 -3.986 1.00 0.00 C ATOM 1406 C THR A 96 -22.511 -2.814 -5.487 1.00 0.00 C ATOM 1407 O THR A 96 -23.445 -3.406 -6.025 1.00 0.00 O ATOM 1408 CB THR A 96 -22.828 -1.681 -3.286 1.00 0.00 C ATOM 1409 OG1 THR A 96 -21.963 -0.564 -3.522 1.00 0.00 O ATOM 1410 CG2 THR A 96 -22.968 -1.913 -1.790 1.00 0.00 C ATOM 0 H THR A 96 -20.550 -2.714 -2.810 1.00 0.00 H new ATOM 0 HA THR A 96 -22.791 -3.815 -3.608 1.00 0.00 H new ATOM 0 HB THR A 96 -23.815 -1.470 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.140 -0.195 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 96 -23.363 -1.014 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 96 -23.650 -2.745 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.992 -2.147 -1.365 1.00 0.00 H new ATOM 1418 N GLY A 97 -21.659 -2.044 -6.158 1.00 0.00 N ATOM 1419 CA GLY A 97 -21.796 -1.861 -7.591 1.00 0.00 C ATOM 1420 C GLY A 97 -21.897 -0.400 -7.981 1.00 0.00 C ATOM 1421 O GLY A 97 -21.031 0.125 -8.683 1.00 0.00 O ATOM 0 H GLY A 97 -20.877 -1.544 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -20.940 -2.310 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.684 -2.389 -7.938 1.00 0.00 H new ATOM 1425 N THR A 98 -22.958 0.260 -7.528 1.00 0.00 N ATOM 1426 CA THR A 98 -23.171 1.669 -7.836 1.00 0.00 C ATOM 1427 C THR A 98 -22.667 2.561 -6.708 1.00 0.00 C ATOM 1428 O THR A 98 -21.756 3.366 -6.901 1.00 0.00 O ATOM 1429 CB THR A 98 -24.661 1.970 -8.087 1.00 0.00 C ATOM 1430 OG1 THR A 98 -25.441 1.557 -6.959 1.00 0.00 O ATOM 1431 CG2 THR A 98 -25.154 1.258 -9.338 1.00 0.00 C ATOM 0 H THR A 98 -23.684 -0.159 -6.946 1.00 0.00 H new ATOM 0 HA THR A 98 -22.607 1.883 -8.744 1.00 0.00 H new ATOM 0 HB THR A 98 -24.772 3.045 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 98 -26.387 1.753 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 98 -26.208 1.486 -9.495 1.00 0.00 H new ATOM 0 HG22 THR A 98 -24.578 1.596 -10.200 1.00 0.00 H new ATOM 0 HG23 THR A 98 -25.029 0.182 -9.217 1.00 0.00 H new ATOM 1439 N GLN A 99 -23.265 2.412 -5.530 1.00 0.00 N ATOM 1440 CA GLN A 99 -22.875 3.206 -4.371 1.00 0.00 C ATOM 1441 C GLN A 99 -22.494 2.307 -3.199 1.00 0.00 C ATOM 1442 O GLN A 99 -23.320 1.573 -2.654 1.00 0.00 O ATOM 1443 CB GLN A 99 -24.013 4.143 -3.962 1.00 0.00 C ATOM 1444 CG GLN A 99 -23.542 5.387 -3.226 1.00 0.00 C ATOM 1445 CD GLN A 99 -24.691 6.259 -2.760 1.00 0.00 C ATOM 1446 OE1 GLN A 99 -25.663 6.465 -3.487 1.00 0.00 O ATOM 1447 NE2 GLN A 99 -24.585 6.778 -1.542 1.00 0.00 N ATOM 0 H GLN A 99 -24.020 1.750 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 99 -22.005 3.802 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -24.562 4.445 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -24.711 3.598 -3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -22.944 5.090 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -22.892 5.968 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -23.761 6.581 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -25.327 7.374 -1.175 1.00 0.00 H new ATOM 1456 N PRO A 100 -21.215 2.363 -2.801 1.00 0.00 N ATOM 1457 CA PRO A 100 -20.696 1.560 -1.689 1.00 0.00 C ATOM 1458 C PRO A 100 -21.238 2.019 -0.340 1.00 0.00 C ATOM 1459 O PRO A 100 -21.096 3.184 0.033 1.00 0.00 O ATOM 1460 CB PRO A 100 -19.184 1.788 -1.763 1.00 0.00 C ATOM 1461 CG PRO A 100 -19.032 3.109 -2.435 1.00 0.00 C ATOM 1462 CD PRO A 100 -20.176 3.215 -3.404 1.00 0.00 C ATOM 0 HA PRO A 100 -20.988 0.513 -1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -18.736 1.795 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -18.692 0.997 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -19.059 3.922 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -18.075 3.176 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.515 4.245 -3.514 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -19.895 2.864 -4.397 1.00 0.00 H new ATOM 1470 N TRP A 101 -21.859 1.097 0.387 1.00 0.00 N ATOM 1471 CA TRP A 101 -22.422 1.408 1.696 1.00 0.00 C ATOM 1472 C TRP A 101 -21.390 2.094 2.584 1.00 0.00 C ATOM 1473 O TRP A 101 -20.488 1.448 3.116 1.00 0.00 O ATOM 1474 CB TRP A 101 -22.929 0.133 2.372 1.00 0.00 C ATOM 1475 CG TRP A 101 -21.889 -0.942 2.467 1.00 0.00 C ATOM 1476 CD1 TRP A 101 -21.447 -1.746 1.455 1.00 0.00 C ATOM 1477 CD2 TRP A 101 -21.162 -1.330 3.638 1.00 0.00 C ATOM 1478 NE1 TRP A 101 -20.490 -2.612 1.927 1.00 0.00 N ATOM 1479 CE2 TRP A 101 -20.296 -2.376 3.262 1.00 0.00 C ATOM 1480 CE3 TRP A 101 -21.157 -0.895 4.966 1.00 0.00 C ATOM 1481 CZ2 TRP A 101 -19.437 -2.992 4.169 1.00 0.00 C ATOM 1482 CZ3 TRP A 101 -20.303 -1.508 5.864 1.00 0.00 C ATOM 1483 CH2 TRP A 101 -19.453 -2.546 5.462 1.00 0.00 C ATOM 0 H TRP A 101 -21.985 0.129 0.093 1.00 0.00 H new ATOM 0 HA TRP A 101 -23.259 2.091 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -23.282 0.377 3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -23.786 -0.248 1.817 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -21.798 -1.707 0.434 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -20.003 -3.316 1.373 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -21.808 -0.095 5.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -18.781 -3.794 3.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -20.291 -1.181 6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -18.797 -3.004 6.188 1.00 0.00 H new ATOM 1494 N GLY A 102 -21.528 3.407 2.741 1.00 0.00 N ATOM 1495 CA GLY A 102 -20.600 4.158 3.566 1.00 0.00 C ATOM 1496 C GLY A 102 -20.056 5.383 2.858 1.00 0.00 C ATOM 1497 O GLY A 102 -19.114 5.288 2.071 1.00 0.00 O ATOM 0 H GLY A 102 -22.266 3.964 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.101 4.465 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -19.771 3.512 3.856 1.00 0.00 H new ATOM 1501 N LYS A 103 -20.650 6.538 3.137 1.00 0.00 N ATOM 1502 CA LYS A 103 -20.221 7.788 2.522 1.00 0.00 C ATOM 1503 C LYS A 103 -18.951 8.313 3.185 1.00 0.00 C ATOM 1504 O LYS A 103 -18.498 7.772 4.193 1.00 0.00 O ATOM 1505 CB LYS A 103 -21.331 8.837 2.620 1.00 0.00 C ATOM 1506 CG LYS A 103 -21.700 9.200 4.048 1.00 0.00 C ATOM 1507 CD LYS A 103 -22.227 10.622 4.144 1.00 0.00 C ATOM 1508 CE LYS A 103 -23.714 10.687 3.831 1.00 0.00 C ATOM 1509 NZ LYS A 103 -24.335 11.939 4.344 1.00 0.00 N ATOM 0 H LYS A 103 -21.431 6.634 3.786 1.00 0.00 H new ATOM 0 HA LYS A 103 -20.007 7.592 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -21.015 9.738 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -22.218 8.464 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -22.455 8.506 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -20.826 9.091 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -22.048 11.011 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -21.680 11.262 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -23.861 10.624 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -24.216 9.826 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -25.348 11.945 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -24.217 11.987 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -23.874 12.761 3.904 1.00 0.00 H new ATOM 1523 N MET A 104 -18.383 9.369 2.612 1.00 0.00 N ATOM 1524 CA MET A 104 -17.167 9.968 3.150 1.00 0.00 C ATOM 1525 C MET A 104 -17.125 11.465 2.862 1.00 0.00 C ATOM 1526 O MET A 104 -16.922 11.880 1.721 1.00 0.00 O ATOM 1527 CB MET A 104 -15.933 9.287 2.557 1.00 0.00 C ATOM 1528 CG MET A 104 -14.620 9.821 3.108 1.00 0.00 C ATOM 1529 SD MET A 104 -14.045 8.900 4.547 1.00 0.00 S ATOM 1530 CE MET A 104 -14.108 10.170 5.809 1.00 0.00 C ATOM 0 H MET A 104 -18.745 9.827 1.776 1.00 0.00 H new ATOM 0 HA MET A 104 -17.168 9.825 4.231 1.00 0.00 H new ATOM 0 HB2 MET A 104 -15.990 8.216 2.752 1.00 0.00 H new ATOM 0 HB3 MET A 104 -15.942 9.415 1.475 1.00 0.00 H new ATOM 0 HG2 MET A 104 -13.860 9.780 2.328 1.00 0.00 H new ATOM 0 HG3 MET A 104 -14.744 10.870 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 104 -13.780 9.753 6.761 1.00 0.00 H new ATOM 0 HE2 MET A 104 -13.452 10.994 5.529 1.00 0.00 H new ATOM 0 HE3 MET A 104 -15.130 10.536 5.906 1.00 0.00 H new ATOM 1540 N GLU A 105 -17.317 12.270 3.902 1.00 0.00 N ATOM 1541 CA GLU A 105 -17.302 13.721 3.758 1.00 0.00 C ATOM 1542 C GLU A 105 -16.006 14.308 4.310 1.00 0.00 C ATOM 1543 O GLU A 105 -15.845 14.458 5.521 1.00 0.00 O ATOM 1544 CB GLU A 105 -18.502 14.340 4.477 1.00 0.00 C ATOM 1545 CG GLU A 105 -18.493 15.859 4.480 1.00 0.00 C ATOM 1546 CD GLU A 105 -18.678 16.446 3.094 1.00 0.00 C ATOM 1547 OE1 GLU A 105 -19.572 15.972 2.363 1.00 0.00 O ATOM 1548 OE2 GLU A 105 -17.928 17.381 2.741 1.00 0.00 O ATOM 0 H GLU A 105 -17.485 11.942 4.853 1.00 0.00 H new ATOM 0 HA GLU A 105 -17.364 13.956 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -19.419 13.992 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.521 13.983 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -19.287 16.222 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.550 16.212 4.897 1.00 0.00 H new ATOM 1555 N VAL A 106 -15.083 14.639 3.412 1.00 0.00 N ATOM 1556 CA VAL A 106 -13.802 15.210 3.807 1.00 0.00 C ATOM 1557 C VAL A 106 -13.904 16.721 3.982 1.00 0.00 C ATOM 1558 O VAL A 106 -14.037 17.463 3.009 1.00 0.00 O ATOM 1559 CB VAL A 106 -12.705 14.898 2.771 1.00 0.00 C ATOM 1560 CG1 VAL A 106 -11.386 15.534 3.183 1.00 0.00 C ATOM 1561 CG2 VAL A 106 -12.550 13.395 2.597 1.00 0.00 C ATOM 0 H VAL A 106 -15.199 14.521 2.406 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.533 14.754 4.760 1.00 0.00 H new ATOM 0 HB VAL A 106 -13.002 15.323 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.623 15.303 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.509 16.615 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.079 15.140 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.771 13.192 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.275 12.945 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -13.493 12.969 2.254 1.00 0.00 H new ATOM 1571 N PHE A 107 -13.841 17.172 5.231 1.00 0.00 N ATOM 1572 CA PHE A 107 -13.928 18.596 5.535 1.00 0.00 C ATOM 1573 C PHE A 107 -12.564 19.266 5.393 1.00 0.00 C ATOM 1574 O PHE A 107 -11.527 18.607 5.463 1.00 0.00 O ATOM 1575 CB PHE A 107 -14.466 18.804 6.952 1.00 0.00 C ATOM 1576 CG PHE A 107 -15.088 20.155 7.164 1.00 0.00 C ATOM 1577 CD1 PHE A 107 -16.285 20.485 6.549 1.00 0.00 C ATOM 1578 CD2 PHE A 107 -14.476 21.094 7.979 1.00 0.00 C ATOM 1579 CE1 PHE A 107 -16.860 21.727 6.742 1.00 0.00 C ATOM 1580 CE2 PHE A 107 -15.047 22.337 8.177 1.00 0.00 C ATOM 1581 CZ PHE A 107 -16.240 22.654 7.556 1.00 0.00 C ATOM 0 H PHE A 107 -13.730 16.572 6.049 1.00 0.00 H new ATOM 0 HA PHE A 107 -14.614 19.054 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -15.207 18.034 7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -13.652 18.672 7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -16.774 19.763 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -13.542 20.852 8.465 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -17.793 21.972 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.561 23.060 8.816 1.00 0.00 H new ATOM 0 HZ PHE A 107 -16.687 23.626 7.707 1.00 0.00 H new ATOM 1591 N ARG A 108 -12.575 20.580 5.194 1.00 0.00 N ATOM 1592 CA ARG A 108 -11.341 21.339 5.040 1.00 0.00 C ATOM 1593 C ARG A 108 -11.008 22.100 6.320 1.00 0.00 C ATOM 1594 O ARG A 108 -11.848 22.814 6.867 1.00 0.00 O ATOM 1595 CB ARG A 108 -11.461 22.317 3.870 1.00 0.00 C ATOM 1596 CG ARG A 108 -10.139 22.603 3.177 1.00 0.00 C ATOM 1597 CD ARG A 108 -9.434 23.801 3.794 1.00 0.00 C ATOM 1598 NE ARG A 108 -8.152 24.074 3.149 1.00 0.00 N ATOM 1599 CZ ARG A 108 -7.046 23.378 3.389 1.00 0.00 C ATOM 1600 NH1 ARG A 108 -7.065 22.374 4.254 1.00 0.00 N ATOM 1601 NH2 ARG A 108 -5.918 23.687 2.762 1.00 0.00 N ATOM 0 H ARG A 108 -13.425 21.141 5.136 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.534 20.635 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.164 21.914 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.881 23.255 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.495 21.726 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.315 22.789 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.074 24.679 3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.274 23.619 4.857 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.103 24.841 2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.930 22.134 4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.214 21.842 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.900 24.459 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.069 23.153 2.946 1.00 0.00 H new ATOM 1615 N SER A 109 -9.776 21.941 6.793 1.00 0.00 N ATOM 1616 CA SER A 109 -9.332 22.609 8.011 1.00 0.00 C ATOM 1617 C SER A 109 -8.396 23.769 7.685 1.00 0.00 C ATOM 1618 O SER A 109 -7.846 23.847 6.587 1.00 0.00 O ATOM 1619 CB SER A 109 -8.628 21.615 8.936 1.00 0.00 C ATOM 1620 OG SER A 109 -9.558 20.952 9.775 1.00 0.00 O ATOM 0 H SER A 109 -9.067 21.355 6.351 1.00 0.00 H new ATOM 0 HA SER A 109 -10.211 23.006 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.084 20.882 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.893 22.139 9.546 1.00 0.00 H new ATOM 0 HG SER A 109 -9.083 20.321 10.355 1.00 0.00 H new ATOM 1626 N GLY A 110 -8.219 24.668 8.649 1.00 0.00 N ATOM 1627 CA GLY A 110 -7.350 25.812 8.446 1.00 0.00 C ATOM 1628 C GLY A 110 -5.979 25.414 7.934 1.00 0.00 C ATOM 1629 O GLY A 110 -5.371 24.454 8.408 1.00 0.00 O ATOM 0 H GLY A 110 -8.662 24.624 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.815 26.496 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.241 26.353 9.386 1.00 0.00 H new ATOM 1633 N PRO A 111 -5.473 26.162 6.943 1.00 0.00 N ATOM 1634 CA PRO A 111 -4.161 25.901 6.345 1.00 0.00 C ATOM 1635 C PRO A 111 -3.015 26.217 7.300 1.00 0.00 C ATOM 1636 O PRO A 111 -1.946 25.611 7.224 1.00 0.00 O ATOM 1637 CB PRO A 111 -4.127 26.843 5.139 1.00 0.00 C ATOM 1638 CG PRO A 111 -5.061 27.948 5.494 1.00 0.00 C ATOM 1639 CD PRO A 111 -6.143 27.322 6.330 1.00 0.00 C ATOM 0 HA PRO A 111 -4.033 24.850 6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -3.120 27.219 4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -4.445 26.333 4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -4.545 28.733 6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -5.477 28.410 4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -6.519 28.014 7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.996 27.019 5.722 1.00 0.00 H new ATOM 1647 N SER A 112 -3.245 27.170 8.198 1.00 0.00 N ATOM 1648 CA SER A 112 -2.230 27.568 9.166 1.00 0.00 C ATOM 1649 C SER A 112 -2.739 27.385 10.593 1.00 0.00 C ATOM 1650 O SER A 112 -3.495 28.211 11.105 1.00 0.00 O ATOM 1651 CB SER A 112 -1.824 29.026 8.940 1.00 0.00 C ATOM 1652 OG SER A 112 -2.940 29.891 9.062 1.00 0.00 O ATOM 0 H SER A 112 -4.125 27.680 8.275 1.00 0.00 H new ATOM 0 HA SER A 112 -1.358 26.929 9.025 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.059 29.310 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 112 -1.382 29.134 7.949 1.00 0.00 H new ATOM 0 HG SER A 112 -3.536 29.559 9.766 1.00 0.00 H new ATOM 1658 N SER A 113 -2.318 26.297 11.229 1.00 0.00 N ATOM 1659 CA SER A 113 -2.733 26.002 12.596 1.00 0.00 C ATOM 1660 C SER A 113 -2.332 27.130 13.541 1.00 0.00 C ATOM 1661 O SER A 113 -1.148 27.366 13.777 1.00 0.00 O ATOM 1662 CB SER A 113 -2.115 24.684 13.066 1.00 0.00 C ATOM 1663 OG SER A 113 -2.278 24.514 14.463 1.00 0.00 O ATOM 0 H SER A 113 -1.690 25.605 10.820 1.00 0.00 H new ATOM 0 HA SER A 113 -3.819 25.910 12.608 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.581 23.852 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.054 24.666 12.816 1.00 0.00 H new ATOM 0 HG SER A 113 -1.876 23.664 14.738 1.00 0.00 H new ATOM 1669 N GLY A 114 -3.329 27.826 14.080 1.00 0.00 N ATOM 1670 CA GLY A 114 -3.061 28.921 14.993 1.00 0.00 C ATOM 1671 C GLY A 114 -2.948 28.461 16.433 1.00 0.00 C ATOM 1672 O GLY A 114 -2.181 29.052 17.192 1.00 0.00 O ATOM 0 H GLY A 114 -4.318 27.650 13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -2.136 29.416 14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -3.858 29.660 14.912 1.00 0.00 H new TER 1676 GLY A 114 HETATM 1677 ZN ZN A 201 4.895 -10.107 -7.496 1.00 0.00 ZN HETATM 1678 ZN ZN A 401 -7.205 -13.717 -3.123 1.00 0.00 ZN