USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 21 ASN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Set 1.2: A 87 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 160:sc= 0 (180deg=-0.129) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00741) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -160:sc= 0.662 USER MOD Single : A 25 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.77) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0046) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -4:sc= 1.04 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 1.23 (180deg=0.991) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= -0.197 (180deg=-0.549) USER MOD Single : A 54 HIS : no HD1:sc= -0.547 K(o=-0.55,f=-1.9) USER MOD Single : A 55 MET CE :methyl 146:sc= 0 (180deg=-0.0439) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0545 K(o=-0.055,f=-2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 166:sc= 0.364 USER MOD Single : A 74 SER OG : rot 62:sc= 1.18 USER MOD Single : A 78 ASN : amide:sc=-0.00685 K(o=-0.0068,f=-8.5!) USER MOD Single : A 79 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.7) USER MOD Single : A 81 ASN : amide:sc= -0.211 K(o=-0.21,f=-3!) USER MOD Single : A 83 LYS NZ :NH3+ -154:sc= -1.49 (180deg=-2.55!) USER MOD Single : A 85 SER OG : rot -88:sc= 0.992 USER MOD Single : A 88 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.97) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 1.73 (180deg=1.52) USER MOD Single : A 93 ASN : amide:sc= 0.405 X(o=0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.305 6.555 -0.752 1.00 18.66 N ATOM 2 CA GLY A 1 0.670 5.513 -0.496 1.00 18.87 C ATOM 3 C GLY A 1 0.247 4.598 0.631 1.00 18.23 C ATOM 4 O GLY A 1 -0.297 3.521 0.389 1.00 18.31 O ATOM 0 H1 GLY A 1 0.149 7.336 -1.268 1.00 18.66 H new ATOM 0 H2 GLY A 1 -1.084 6.169 -1.323 1.00 18.66 H new ATOM 0 H3 GLY A 1 -0.680 6.909 0.151 1.00 18.66 H new ATOM 0 HA2 GLY A 1 0.818 4.926 -1.402 1.00 18.87 H new ATOM 0 HA3 GLY A 1 1.630 5.968 -0.251 1.00 18.87 H new ATOM 8 N ALA A 2 0.474 5.037 1.861 1.00 17.70 N ATOM 9 CA ALA A 2 0.148 4.231 3.032 1.00 17.18 C ATOM 10 C ALA A 2 -1.358 4.195 3.277 1.00 16.38 C ATOM 11 O ALA A 2 -1.910 3.176 3.691 1.00 16.21 O ATOM 12 CB ALA A 2 0.874 4.756 4.260 1.00 17.38 C ATOM 0 H ALA A 2 0.883 5.947 2.075 1.00 17.70 H new ATOM 0 HA ALA A 2 0.481 3.211 2.839 1.00 17.18 H new ATOM 0 HB1 ALA A 2 0.619 4.142 5.124 1.00 17.38 H new ATOM 0 HB2 ALA A 2 1.950 4.715 4.092 1.00 17.38 H new ATOM 0 HB3 ALA A 2 0.575 5.787 4.446 1.00 17.38 H new ATOM 18 N LYS A 3 -2.018 5.316 3.018 1.00 16.02 N ATOM 19 CA LYS A 3 -3.464 5.406 3.170 1.00 15.35 C ATOM 20 C LYS A 3 -4.125 5.692 1.831 1.00 14.78 C ATOM 21 O LYS A 3 -5.251 6.187 1.769 1.00 14.87 O ATOM 22 CB LYS A 3 -3.834 6.477 4.200 1.00 15.66 C ATOM 23 CG LYS A 3 -3.786 5.976 5.641 1.00 16.14 C ATOM 24 CD LYS A 3 -4.864 4.929 5.897 1.00 16.34 C ATOM 25 CE LYS A 3 -4.741 4.298 7.278 1.00 16.93 C ATOM 26 NZ LYS A 3 -4.951 5.286 8.369 1.00 17.44 N ATOM 0 H LYS A 3 -1.574 6.178 2.701 1.00 16.02 H new ATOM 0 HA LYS A 3 -3.832 4.446 3.533 1.00 15.35 H new ATOM 0 HB2 LYS A 3 -3.154 7.322 4.094 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -4.837 6.846 3.985 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -2.805 5.549 5.848 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -3.920 6.814 6.325 1.00 16.14 H new ATOM 0 HD2 LYS A 3 -5.846 5.390 5.797 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -4.799 4.150 5.137 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -5.470 3.493 7.374 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -3.754 3.848 7.383 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -4.891 4.805 9.289 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -4.219 6.023 8.316 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -5.890 5.722 8.266 1.00 17.44 H new ATOM 40 N GLY A 4 -3.416 5.363 0.762 1.00 14.34 N ATOM 41 CA GLY A 4 -3.974 5.501 -0.562 1.00 13.91 C ATOM 42 C GLY A 4 -4.824 4.303 -0.922 1.00 13.19 C ATOM 43 O GLY A 4 -4.317 3.318 -1.465 1.00 13.08 O ATOM 0 H GLY A 4 -2.462 5.002 0.790 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -4.577 6.407 -0.613 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -3.170 5.612 -1.289 1.00 13.91 H new ATOM 47 N ASP A 5 -6.107 4.371 -0.598 1.00 12.83 N ATOM 48 CA ASP A 5 -7.015 3.264 -0.857 1.00 12.29 C ATOM 49 C ASP A 5 -7.490 3.291 -2.305 1.00 11.32 C ATOM 50 O ASP A 5 -7.236 4.251 -3.038 1.00 11.07 O ATOM 51 CB ASP A 5 -8.211 3.301 0.102 1.00 12.76 C ATOM 52 CG ASP A 5 -9.143 4.474 -0.147 1.00 13.25 C ATOM 53 OD1 ASP A 5 -8.658 5.623 -0.159 1.00 13.69 O ATOM 54 OD2 ASP A 5 -10.356 4.248 -0.347 1.00 13.33 O ATOM 0 H ASP A 5 -6.542 5.181 -0.156 1.00 12.83 H new ATOM 0 HA ASP A 5 -6.473 2.334 -0.687 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -8.773 2.372 0.007 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -7.845 3.348 1.127 1.00 12.76 H new ATOM 59 N LEU A 6 -8.179 2.239 -2.712 1.00 10.94 N ATOM 60 CA LEU A 6 -8.582 2.081 -4.102 1.00 10.15 C ATOM 61 C LEU A 6 -9.894 2.807 -4.371 1.00 9.46 C ATOM 62 O LEU A 6 -10.961 2.362 -3.945 1.00 9.68 O ATOM 63 CB LEU A 6 -8.710 0.594 -4.471 1.00 10.29 C ATOM 64 CG LEU A 6 -7.397 -0.204 -4.496 1.00 10.86 C ATOM 65 CD1 LEU A 6 -6.840 -0.413 -3.093 1.00 11.39 C ATOM 66 CD2 LEU A 6 -7.604 -1.542 -5.182 1.00 10.88 C ATOM 0 H LEU A 6 -8.473 1.478 -2.099 1.00 10.94 H new ATOM 0 HA LEU A 6 -7.807 2.525 -4.727 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -9.388 0.120 -3.761 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -9.176 0.522 -5.454 1.00 10.29 H new ATOM 0 HG LEU A 6 -6.669 0.378 -5.061 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -5.912 -0.981 -3.151 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -6.645 0.555 -2.631 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -7.565 -0.963 -2.492 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -6.665 -2.095 -5.192 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -8.357 -2.115 -4.642 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -7.939 -1.378 -6.206 1.00 10.88 H new ATOM 78 N VAL A 7 -9.803 3.936 -5.061 1.00 8.82 N ATOM 79 CA VAL A 7 -10.979 4.727 -5.401 1.00 8.29 C ATOM 80 C VAL A 7 -11.236 4.700 -6.910 1.00 7.44 C ATOM 81 O VAL A 7 -10.301 4.776 -7.710 1.00 7.11 O ATOM 82 CB VAL A 7 -10.833 6.197 -4.913 1.00 8.29 C ATOM 83 CG1 VAL A 7 -9.622 6.879 -5.542 1.00 8.14 C ATOM 84 CG2 VAL A 7 -12.104 6.990 -5.188 1.00 8.52 C ATOM 0 H VAL A 7 -8.923 4.326 -5.398 1.00 8.82 H new ATOM 0 HA VAL A 7 -11.832 4.280 -4.890 1.00 8.29 H new ATOM 0 HB VAL A 7 -10.673 6.170 -3.835 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -9.552 7.904 -5.178 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -8.717 6.335 -5.272 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -9.731 6.886 -6.627 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -11.977 8.014 -4.838 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -12.305 6.995 -6.259 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -12.941 6.529 -4.664 1.00 8.52 H new ATOM 94 N SER A 8 -12.500 4.564 -7.295 1.00 7.35 N ATOM 95 CA SER A 8 -12.873 4.597 -8.700 1.00 6.76 C ATOM 96 C SER A 8 -12.862 6.040 -9.190 1.00 6.25 C ATOM 97 O SER A 8 -13.821 6.787 -8.985 1.00 6.60 O ATOM 98 CB SER A 8 -14.253 3.966 -8.899 1.00 7.45 C ATOM 99 OG SER A 8 -14.538 3.771 -10.273 1.00 7.95 O ATOM 0 H SER A 8 -13.281 4.430 -6.653 1.00 7.35 H new ATOM 0 HA SER A 8 -12.153 4.020 -9.281 1.00 6.76 H new ATOM 0 HB2 SER A 8 -14.296 3.010 -8.377 1.00 7.45 H new ATOM 0 HB3 SER A 8 -15.015 4.606 -8.455 1.00 7.45 H new ATOM 0 HG SER A 8 -15.425 3.365 -10.369 1.00 7.95 H new ATOM 105 N PHE A 9 -11.751 6.437 -9.791 1.00 5.71 N ATOM 106 CA PHE A 9 -11.574 7.807 -10.233 1.00 5.49 C ATOM 107 C PHE A 9 -11.870 7.943 -11.723 1.00 4.56 C ATOM 108 O PHE A 9 -12.420 8.950 -12.169 1.00 4.58 O ATOM 109 CB PHE A 9 -10.145 8.262 -9.929 1.00 5.95 C ATOM 110 CG PHE A 9 -9.879 9.705 -10.258 1.00 6.09 C ATOM 111 CD1 PHE A 9 -9.223 10.059 -11.429 1.00 6.22 C ATOM 112 CD2 PHE A 9 -10.283 10.706 -9.392 1.00 6.41 C ATOM 113 CE1 PHE A 9 -8.976 11.384 -11.725 1.00 6.69 C ATOM 114 CE2 PHE A 9 -10.039 12.031 -9.684 1.00 6.91 C ATOM 115 CZ PHE A 9 -9.384 12.372 -10.852 1.00 7.07 C ATOM 0 H PHE A 9 -10.957 5.826 -9.983 1.00 5.71 H new ATOM 0 HA PHE A 9 -12.277 8.442 -9.694 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -9.940 8.097 -8.871 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -9.449 7.638 -10.490 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -8.903 9.289 -12.116 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -10.795 10.446 -8.477 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -8.464 11.648 -12.639 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -10.360 12.803 -9.000 1.00 6.91 H new ATOM 0 HZ PHE A 9 -9.192 13.410 -11.081 1.00 7.07 H new ATOM 125 N ARG A 10 -11.509 6.918 -12.484 1.00 4.03 N ATOM 126 CA ARG A 10 -11.672 6.938 -13.928 1.00 3.33 C ATOM 127 C ARG A 10 -11.703 5.517 -14.473 1.00 2.88 C ATOM 128 O ARG A 10 -11.122 4.607 -13.881 1.00 3.18 O ATOM 129 CB ARG A 10 -10.544 7.757 -14.581 1.00 3.50 C ATOM 130 CG ARG A 10 -9.135 7.312 -14.199 1.00 3.95 C ATOM 131 CD ARG A 10 -8.611 6.209 -15.109 1.00 4.08 C ATOM 132 NE ARG A 10 -7.251 5.804 -14.754 1.00 4.93 N ATOM 133 CZ ARG A 10 -6.586 4.816 -15.351 1.00 5.72 C ATOM 134 NH1 ARG A 10 -7.152 4.146 -16.346 1.00 5.83 N ATOM 135 NH2 ARG A 10 -5.360 4.504 -14.954 1.00 6.67 N ATOM 0 H ARG A 10 -11.099 6.058 -12.120 1.00 4.03 H new ATOM 0 HA ARG A 10 -12.621 7.416 -14.171 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -10.649 7.697 -15.664 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -10.667 8.805 -14.306 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -8.461 8.168 -14.244 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -9.135 6.960 -13.167 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -9.273 5.345 -15.050 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -8.628 6.554 -16.143 1.00 4.08 H new ATOM 0 HE ARG A 10 -6.782 6.310 -14.002 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -8.094 4.388 -16.652 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -6.645 3.389 -16.805 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -4.924 5.021 -14.190 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -4.853 3.747 -15.412 1.00 6.67 H new ATOM 149 N ILE A 11 -12.387 5.335 -15.589 1.00 2.34 N ATOM 150 CA ILE A 11 -12.531 4.023 -16.193 1.00 1.99 C ATOM 151 C ILE A 11 -11.423 3.796 -17.217 1.00 1.73 C ATOM 152 O ILE A 11 -11.278 4.560 -18.168 1.00 1.72 O ATOM 153 CB ILE A 11 -13.909 3.842 -16.884 1.00 1.97 C ATOM 154 CG1 ILE A 11 -15.070 4.105 -15.913 1.00 2.38 C ATOM 155 CG2 ILE A 11 -14.033 2.442 -17.464 1.00 2.00 C ATOM 156 CD1 ILE A 11 -15.380 5.574 -15.693 1.00 2.89 C ATOM 0 H ILE A 11 -12.854 6.085 -16.098 1.00 2.34 H new ATOM 0 HA ILE A 11 -12.459 3.290 -15.389 1.00 1.99 H new ATOM 0 HB ILE A 11 -13.967 4.574 -17.689 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -15.964 3.610 -16.292 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -14.835 3.647 -14.952 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -15.005 2.332 -17.945 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -13.244 2.282 -18.199 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -13.939 1.707 -16.664 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -16.212 5.670 -14.995 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -14.502 6.074 -15.283 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -15.649 6.035 -16.643 1.00 2.89 H new ATOM 168 N ASP A 12 -10.635 2.752 -17.011 1.00 1.73 N ATOM 169 CA ASP A 12 -9.549 2.417 -17.927 1.00 1.71 C ATOM 170 C ASP A 12 -10.120 1.931 -19.254 1.00 1.43 C ATOM 171 O ASP A 12 -9.559 2.161 -20.325 1.00 1.54 O ATOM 172 CB ASP A 12 -8.665 1.333 -17.309 1.00 2.04 C ATOM 173 CG ASP A 12 -7.324 1.221 -17.996 1.00 2.64 C ATOM 174 OD1 ASP A 12 -7.187 0.408 -18.928 1.00 3.29 O ATOM 175 OD2 ASP A 12 -6.394 1.958 -17.606 1.00 2.90 O ATOM 0 H ASP A 12 -10.725 2.119 -16.216 1.00 1.73 H new ATOM 0 HA ASP A 12 -8.946 3.307 -18.107 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -8.511 1.552 -16.252 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -9.179 0.374 -17.364 1.00 2.04 H new ATOM 180 N GLU A 13 -11.287 1.316 -19.152 1.00 1.24 N ATOM 181 CA GLU A 13 -11.979 0.696 -20.281 1.00 1.15 C ATOM 182 C GLU A 13 -12.761 1.745 -21.074 1.00 1.28 C ATOM 183 O GLU A 13 -13.632 1.424 -21.878 1.00 1.50 O ATOM 184 CB GLU A 13 -12.906 -0.395 -19.736 1.00 1.15 C ATOM 185 CG GLU A 13 -12.392 -0.956 -18.414 1.00 1.58 C ATOM 186 CD GLU A 13 -13.149 -2.159 -17.915 1.00 2.18 C ATOM 187 OE1 GLU A 13 -14.232 -1.976 -17.331 1.00 2.35 O ATOM 188 OE2 GLU A 13 -12.687 -3.294 -18.154 1.00 2.96 O ATOM 0 H GLU A 13 -11.792 1.230 -18.270 1.00 1.24 H new ATOM 0 HA GLU A 13 -11.257 0.250 -20.965 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -13.907 0.013 -19.595 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -12.991 -1.200 -20.466 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -11.342 -1.225 -18.530 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -12.439 -0.173 -17.658 1.00 1.58 H new ATOM 195 N SER A 14 -12.436 3.004 -20.820 1.00 1.27 N ATOM 196 CA SER A 14 -13.094 4.129 -21.462 1.00 1.50 C ATOM 197 C SER A 14 -12.711 4.232 -22.938 1.00 1.59 C ATOM 198 O SER A 14 -13.471 4.763 -23.747 1.00 1.85 O ATOM 199 CB SER A 14 -12.709 5.421 -20.738 1.00 1.61 C ATOM 200 OG SER A 14 -13.403 6.539 -21.263 1.00 2.31 O ATOM 0 H SER A 14 -11.706 3.273 -20.161 1.00 1.27 H new ATOM 0 HA SER A 14 -14.171 3.974 -21.405 1.00 1.50 H new ATOM 0 HB2 SER A 14 -12.928 5.322 -19.675 1.00 1.61 H new ATOM 0 HB3 SER A 14 -11.635 5.583 -20.828 1.00 1.61 H new ATOM 0 HG SER A 14 -13.136 7.347 -20.778 1.00 2.31 H new ATOM 206 N GLY A 15 -11.539 3.719 -23.284 1.00 1.50 N ATOM 207 CA GLY A 15 -11.047 3.874 -24.637 1.00 1.67 C ATOM 208 C GLY A 15 -9.781 4.698 -24.672 1.00 1.66 C ATOM 209 O GLY A 15 -9.739 5.761 -25.291 1.00 1.86 O ATOM 0 H GLY A 15 -10.924 3.201 -22.656 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -10.856 2.893 -25.071 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -11.811 4.351 -25.251 1.00 1.67 H new ATOM 213 N ARG A 16 -8.764 4.217 -23.976 1.00 1.69 N ATOM 214 CA ARG A 16 -7.496 4.925 -23.854 1.00 1.95 C ATOM 215 C ARG A 16 -6.803 5.077 -25.206 1.00 1.94 C ATOM 216 O ARG A 16 -6.293 4.111 -25.760 1.00 1.95 O ATOM 217 CB ARG A 16 -6.577 4.174 -22.891 1.00 2.42 C ATOM 218 CG ARG A 16 -7.050 4.188 -21.446 1.00 2.50 C ATOM 219 CD ARG A 16 -6.411 3.068 -20.643 1.00 2.87 C ATOM 220 NE ARG A 16 -4.953 3.031 -20.794 1.00 3.47 N ATOM 221 CZ ARG A 16 -4.185 2.001 -20.418 1.00 4.27 C ATOM 222 NH1 ARG A 16 -4.722 0.934 -19.832 1.00 4.62 N ATOM 223 NH2 ARG A 16 -2.872 2.044 -20.619 1.00 5.03 N ATOM 0 H ARG A 16 -8.792 3.326 -23.480 1.00 1.69 H new ATOM 0 HA ARG A 16 -7.706 5.923 -23.469 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -6.487 3.140 -23.223 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -5.580 4.612 -22.940 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -6.807 5.148 -20.991 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -8.135 4.086 -21.416 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -6.661 3.192 -19.589 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -6.830 2.113 -20.960 1.00 2.87 H new ATOM 0 HE ARG A 16 -4.495 3.841 -21.212 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -5.728 0.896 -19.666 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -4.128 0.154 -19.549 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -2.450 2.861 -21.060 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -2.286 1.260 -20.333 1.00 5.03 H new ATOM 237 N ALA A 17 -6.800 6.292 -25.734 1.00 2.02 N ATOM 238 CA ALA A 17 -6.071 6.590 -26.961 1.00 2.12 C ATOM 239 C ALA A 17 -4.605 6.874 -26.649 1.00 2.12 C ATOM 240 O ALA A 17 -3.746 6.846 -27.531 1.00 2.20 O ATOM 241 CB ALA A 17 -6.704 7.770 -27.685 1.00 2.37 C ATOM 0 H ALA A 17 -7.294 7.089 -25.333 1.00 2.02 H new ATOM 0 HA ALA A 17 -6.123 5.721 -27.616 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -6.147 7.978 -28.598 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -7.737 7.531 -27.937 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -6.682 8.648 -27.039 1.00 2.37 H new ATOM 247 N ALA A 18 -4.336 7.152 -25.378 1.00 2.11 N ATOM 248 CA ALA A 18 -2.990 7.469 -24.919 1.00 2.25 C ATOM 249 C ALA A 18 -2.080 6.243 -24.965 1.00 2.18 C ATOM 250 O ALA A 18 -0.863 6.365 -25.088 1.00 2.38 O ATOM 251 CB ALA A 18 -3.041 8.042 -23.511 1.00 2.35 C ATOM 0 H ALA A 18 -5.041 7.164 -24.641 1.00 2.11 H new ATOM 0 HA ALA A 18 -2.570 8.216 -25.593 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -2.030 8.276 -23.177 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -3.643 8.951 -23.510 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -3.486 7.311 -22.836 1.00 2.35 H new ATOM 257 N CYS A 19 -2.674 5.064 -24.864 1.00 1.97 N ATOM 258 CA CYS A 19 -1.922 3.825 -24.942 1.00 1.94 C ATOM 259 C CYS A 19 -2.662 2.854 -25.842 1.00 1.77 C ATOM 260 O CYS A 19 -3.854 2.626 -25.658 1.00 1.77 O ATOM 261 CB CYS A 19 -1.765 3.213 -23.548 1.00 2.16 C ATOM 262 SG CYS A 19 -1.186 4.370 -22.280 1.00 2.75 S ATOM 0 H CYS A 19 -3.677 4.941 -24.728 1.00 1.97 H new ATOM 0 HA CYS A 19 -0.932 4.029 -25.349 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -2.725 2.802 -23.235 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -1.065 2.379 -23.608 1.00 2.16 H new ATOM 0 HG CYS A 19 -0.690 3.705 -21.279 1.00 2.75 H new ATOM 268 N VAL A 20 -1.957 2.273 -26.798 1.00 1.71 N ATOM 269 CA VAL A 20 -2.572 1.352 -27.739 1.00 1.67 C ATOM 270 C VAL A 20 -1.491 0.619 -28.538 1.00 1.62 C ATOM 271 O VAL A 20 -0.472 1.204 -28.908 1.00 1.57 O ATOM 272 CB VAL A 20 -3.562 2.097 -28.678 1.00 1.72 C ATOM 273 CG1 VAL A 20 -2.844 3.122 -29.545 1.00 1.74 C ATOM 274 CG2 VAL A 20 -4.362 1.122 -29.532 1.00 1.88 C ATOM 0 H VAL A 20 -0.959 2.423 -26.943 1.00 1.71 H new ATOM 0 HA VAL A 20 -3.146 0.612 -27.181 1.00 1.67 H new ATOM 0 HB VAL A 20 -4.266 2.635 -28.043 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -3.566 3.624 -30.189 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -2.353 3.858 -28.908 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -2.098 2.619 -30.160 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -5.044 1.677 -30.176 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -3.681 0.533 -30.146 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -4.934 0.457 -28.885 1.00 1.88 H new ATOM 284 N ASN A 21 -1.693 -0.672 -28.764 1.00 1.71 N ATOM 285 CA ASN A 21 -0.716 -1.493 -29.476 1.00 1.70 C ATOM 286 C ASN A 21 -1.322 -1.994 -30.789 1.00 1.72 C ATOM 287 O ASN A 21 -0.774 -2.860 -31.466 1.00 2.62 O ATOM 288 CB ASN A 21 -0.283 -2.670 -28.589 1.00 1.73 C ATOM 289 CG ASN A 21 0.908 -3.430 -29.148 1.00 2.10 C ATOM 290 OD1 ASN A 21 1.747 -2.865 -29.845 1.00 2.71 O ATOM 291 ND2 ASN A 21 0.990 -4.716 -28.849 1.00 2.48 N ATOM 0 H ASN A 21 -2.527 -1.177 -28.464 1.00 1.71 H new ATOM 0 HA ASN A 21 0.165 -0.895 -29.709 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -0.035 -2.297 -27.596 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -1.122 -3.356 -28.471 1.00 1.73 H new ATOM 0 HD21 ASN A 21 1.769 -5.273 -29.200 1.00 2.48 H new ATOM 0 HD22 ASN A 21 0.274 -5.151 -28.267 1.00 2.48 H new ATOM 298 N ALA A 22 -2.456 -1.415 -31.148 1.00 1.05 N ATOM 299 CA ALA A 22 -3.170 -1.796 -32.356 1.00 0.99 C ATOM 300 C ALA A 22 -3.773 -0.564 -33.018 1.00 1.10 C ATOM 301 O ALA A 22 -3.360 0.562 -32.732 1.00 1.95 O ATOM 302 CB ALA A 22 -4.247 -2.819 -32.027 1.00 0.96 C ATOM 0 H ALA A 22 -2.906 -0.672 -30.614 1.00 1.05 H new ATOM 0 HA ALA A 22 -2.470 -2.252 -33.056 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -4.775 -3.097 -32.939 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -3.786 -3.705 -31.590 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -4.952 -2.389 -31.316 1.00 0.96 H new ATOM 308 N VAL A 23 -4.736 -0.776 -33.903 1.00 0.94 N ATOM 309 CA VAL A 23 -5.390 0.322 -34.594 1.00 0.99 C ATOM 310 C VAL A 23 -6.545 0.845 -33.739 1.00 1.04 C ATOM 311 O VAL A 23 -6.852 0.279 -32.694 1.00 1.72 O ATOM 312 CB VAL A 23 -5.931 -0.124 -35.975 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.012 1.057 -36.938 1.00 1.60 C ATOM 314 CG2 VAL A 23 -5.086 -1.252 -36.556 1.00 1.68 C ATOM 0 H VAL A 23 -5.081 -1.701 -34.159 1.00 0.94 H new ATOM 0 HA VAL A 23 -4.655 1.110 -34.755 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.942 -0.507 -35.832 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.395 0.716 -37.900 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -6.680 1.815 -36.529 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.019 1.485 -37.074 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -5.488 -1.546 -37.526 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.058 -0.911 -36.678 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -5.107 -2.107 -35.881 1.00 1.68 H new ATOM 324 N ARG A 24 -7.185 1.913 -34.191 1.00 0.69 N ATOM 325 CA ARG A 24 -8.324 2.510 -33.489 1.00 0.69 C ATOM 326 C ARG A 24 -9.598 1.651 -33.583 1.00 0.61 C ATOM 327 O ARG A 24 -10.709 2.163 -33.448 1.00 0.84 O ATOM 328 CB ARG A 24 -8.591 3.911 -34.056 1.00 0.85 C ATOM 329 CG ARG A 24 -8.417 4.024 -35.572 1.00 0.94 C ATOM 330 CD ARG A 24 -9.463 3.230 -36.341 1.00 1.08 C ATOM 331 NE ARG A 24 -10.819 3.723 -36.109 1.00 1.57 N ATOM 332 CZ ARG A 24 -11.867 3.406 -36.870 1.00 2.12 C ATOM 333 NH1 ARG A 24 -11.714 2.619 -37.934 1.00 2.44 N ATOM 334 NH2 ARG A 24 -13.064 3.890 -36.577 1.00 2.92 N ATOM 0 H ARG A 24 -6.934 2.394 -35.054 1.00 0.69 H new ATOM 0 HA ARG A 24 -8.064 2.571 -32.432 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -9.607 4.207 -33.796 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -7.919 4.620 -33.572 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -8.475 5.073 -35.864 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -7.423 3.671 -35.847 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -9.240 3.277 -37.407 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -9.406 2.181 -36.049 1.00 1.08 H new ATOM 0 HE ARG A 24 -10.973 4.347 -35.317 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -10.791 2.255 -38.171 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -12.520 2.380 -38.512 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -13.183 4.504 -35.771 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -13.868 3.649 -37.157 1.00 2.92 H new ATOM 348 N GLN A 25 -9.432 0.354 -33.789 1.00 0.44 N ATOM 349 CA GLN A 25 -10.559 -0.550 -33.954 1.00 0.43 C ATOM 350 C GLN A 25 -10.736 -1.409 -32.717 1.00 0.37 C ATOM 351 O GLN A 25 -9.906 -2.271 -32.437 1.00 0.49 O ATOM 352 CB GLN A 25 -10.334 -1.463 -35.154 1.00 0.48 C ATOM 353 CG GLN A 25 -11.512 -2.385 -35.427 1.00 0.64 C ATOM 354 CD GLN A 25 -12.802 -1.620 -35.662 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.793 -0.510 -36.193 1.00 1.28 O ATOM 356 NE2 GLN A 25 -13.919 -2.190 -35.237 1.00 1.34 N ATOM 0 H GLN A 25 -8.520 -0.099 -33.846 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.453 0.053 -34.112 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -10.144 -0.853 -36.037 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.441 -2.064 -34.984 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -11.294 -3.001 -36.300 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.643 -3.063 -34.583 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -13.887 -3.112 -34.801 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -14.811 -1.707 -35.345 1.00 1.34 H new ATOM 365 N LYS A 26 -11.809 -1.192 -31.981 1.00 0.26 N ATOM 366 CA LYS A 26 -12.056 -1.987 -30.793 1.00 0.21 C ATOM 367 C LYS A 26 -13.229 -2.930 -31.025 1.00 0.24 C ATOM 368 O LYS A 26 -14.367 -2.494 -31.193 1.00 0.43 O ATOM 369 CB LYS A 26 -12.325 -1.093 -29.575 1.00 0.30 C ATOM 370 CG LYS A 26 -11.460 0.159 -29.531 1.00 0.69 C ATOM 371 CD LYS A 26 -11.366 0.743 -28.128 1.00 1.08 C ATOM 372 CE LYS A 26 -12.720 0.822 -27.439 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.696 1.669 -28.175 1.00 2.11 N ATOM 0 H LYS A 26 -12.515 -0.483 -32.180 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.162 -2.576 -30.588 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.375 -0.799 -29.576 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.157 -1.672 -28.667 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.459 -0.080 -29.891 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -11.872 0.908 -30.208 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -10.691 0.132 -27.528 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -10.930 1.741 -28.181 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -13.127 -0.184 -27.333 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -12.587 1.220 -26.433 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -14.588 1.713 -27.642 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -13.310 2.628 -28.284 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -13.873 1.258 -29.114 1.00 2.11 H new ATOM 387 N LYS A 27 -12.928 -4.218 -31.064 1.00 0.12 N ATOM 388 CA LYS A 27 -13.934 -5.258 -31.183 1.00 0.12 C ATOM 389 C LYS A 27 -14.375 -5.703 -29.795 1.00 0.13 C ATOM 390 O LYS A 27 -13.621 -5.580 -28.834 1.00 0.19 O ATOM 391 CB LYS A 27 -13.357 -6.454 -31.941 1.00 0.14 C ATOM 392 CG LYS A 27 -13.154 -6.229 -33.427 1.00 0.19 C ATOM 393 CD LYS A 27 -14.471 -6.190 -34.187 1.00 0.28 C ATOM 394 CE LYS A 27 -14.229 -6.060 -35.681 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.487 -6.148 -36.472 1.00 1.27 N ATOM 0 H LYS A 27 -11.973 -4.572 -31.014 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.791 -4.865 -31.729 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.399 -6.721 -31.494 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.021 -7.307 -31.805 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.620 -5.292 -33.581 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.527 -7.024 -33.831 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.040 -7.097 -33.984 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.073 -5.351 -33.837 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.741 -5.107 -35.885 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.545 -6.844 -36.005 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.268 -6.054 -37.484 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -15.941 -7.068 -36.300 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.132 -5.384 -36.185 1.00 1.27 H new ATOM 409 N ARG A 28 -15.588 -6.219 -29.694 1.00 0.10 N ATOM 410 CA ARG A 28 -16.082 -6.750 -28.432 1.00 0.12 C ATOM 411 C ARG A 28 -16.615 -8.160 -28.634 1.00 0.09 C ATOM 412 O ARG A 28 -17.422 -8.406 -29.531 1.00 0.15 O ATOM 413 CB ARG A 28 -17.166 -5.853 -27.831 1.00 0.19 C ATOM 414 CG ARG A 28 -16.656 -4.478 -27.442 1.00 0.29 C ATOM 415 CD ARG A 28 -17.429 -3.891 -26.271 1.00 0.29 C ATOM 416 NE ARG A 28 -18.836 -3.652 -26.583 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.602 -2.774 -25.938 1.00 1.15 C ATOM 418 NH1 ARG A 28 -19.085 -2.022 -24.972 1.00 1.40 N ATOM 419 NH2 ARG A 28 -20.880 -2.643 -26.265 1.00 1.65 N ATOM 0 H ARG A 28 -16.249 -6.282 -30.468 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.249 -6.778 -27.729 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.977 -5.742 -28.551 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.585 -6.340 -26.951 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.600 -4.544 -27.182 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.732 -3.808 -28.298 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.361 -4.569 -25.420 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.964 -2.952 -25.969 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.257 -4.190 -27.340 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -18.100 -2.117 -24.724 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.673 -1.350 -24.479 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.277 -3.215 -27.011 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.467 -1.971 -25.771 1.00 1.65 H new ATOM 433 N ALA A 29 -16.142 -9.078 -27.808 1.00 0.08 N ATOM 434 CA ALA A 29 -16.535 -10.476 -27.885 1.00 0.07 C ATOM 435 C ALA A 29 -16.337 -11.130 -26.530 1.00 0.06 C ATOM 436 O ALA A 29 -15.907 -10.480 -25.582 1.00 0.08 O ATOM 437 CB ALA A 29 -15.743 -11.214 -28.961 1.00 0.08 C ATOM 0 H ALA A 29 -15.474 -8.875 -27.064 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.588 -10.530 -28.161 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.059 -12.257 -28.995 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.924 -10.748 -29.930 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.679 -11.165 -28.728 1.00 0.08 H new ATOM 443 N THR A 30 -16.659 -12.402 -26.433 1.00 0.06 N ATOM 444 CA THR A 30 -16.569 -13.105 -25.171 1.00 0.06 C ATOM 445 C THR A 30 -15.331 -13.998 -25.148 1.00 0.06 C ATOM 446 O THR A 30 -14.988 -14.614 -26.160 1.00 0.08 O ATOM 447 CB THR A 30 -17.829 -13.954 -24.947 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.875 -13.497 -25.819 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.306 -13.844 -23.514 1.00 0.11 C ATOM 0 H THR A 30 -16.986 -12.971 -27.214 1.00 0.06 H new ATOM 0 HA THR A 30 -16.488 -12.370 -24.370 1.00 0.06 H new ATOM 0 HB THR A 30 -17.583 -14.994 -25.160 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.679 -14.039 -25.678 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.199 -14.454 -23.380 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.523 -14.195 -22.842 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.540 -12.804 -23.287 1.00 0.11 H new ATOM 457 N VAL A 31 -14.653 -14.045 -24.002 1.00 0.08 N ATOM 458 CA VAL A 31 -13.489 -14.910 -23.835 1.00 0.10 C ATOM 459 C VAL A 31 -13.886 -16.366 -23.998 1.00 0.11 C ATOM 460 O VAL A 31 -14.669 -16.900 -23.215 1.00 0.14 O ATOM 461 CB VAL A 31 -12.818 -14.722 -22.455 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.552 -15.563 -22.348 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.504 -13.259 -22.200 1.00 0.13 C ATOM 0 H VAL A 31 -14.890 -13.494 -23.177 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.771 -14.629 -24.606 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.521 -15.060 -21.693 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.098 -15.414 -21.368 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.803 -16.616 -22.475 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.848 -15.261 -23.124 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.033 -13.153 -21.223 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.827 -12.892 -22.971 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.427 -12.680 -22.222 1.00 0.13 H new ATOM 473 N ASP A 32 -13.347 -16.988 -25.027 1.00 0.12 N ATOM 474 CA ASP A 32 -13.610 -18.384 -25.318 1.00 0.15 C ATOM 475 C ASP A 32 -12.971 -19.268 -24.254 1.00 0.15 C ATOM 476 O ASP A 32 -13.614 -20.160 -23.702 1.00 0.19 O ATOM 477 CB ASP A 32 -13.055 -18.734 -26.702 1.00 0.21 C ATOM 478 CG ASP A 32 -13.157 -20.212 -27.021 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.173 -20.944 -26.798 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.205 -20.638 -27.543 1.00 0.60 O ATOM 0 H ASP A 32 -12.712 -16.539 -25.687 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.686 -18.556 -25.313 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.595 -18.166 -27.459 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.011 -18.427 -26.758 1.00 0.21 H new ATOM 485 N SER A 33 -11.709 -18.978 -23.950 1.00 0.14 N ATOM 486 CA SER A 33 -10.933 -19.746 -22.989 1.00 0.18 C ATOM 487 C SER A 33 -9.645 -19.000 -22.669 1.00 0.13 C ATOM 488 O SER A 33 -9.295 -18.033 -23.346 1.00 0.14 O ATOM 489 CB SER A 33 -10.581 -21.137 -23.533 1.00 0.27 C ATOM 490 OG SER A 33 -11.728 -21.956 -23.700 1.00 1.07 O ATOM 0 H SER A 33 -11.197 -18.200 -24.366 1.00 0.14 H new ATOM 0 HA SER A 33 -11.538 -19.870 -22.091 1.00 0.18 H new ATOM 0 HB2 SER A 33 -10.070 -21.032 -24.490 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.884 -21.626 -22.852 1.00 0.27 H new ATOM 0 HG SER A 33 -12.520 -21.480 -23.375 1.00 1.07 H new ATOM 496 N ILE A 34 -8.948 -19.453 -21.642 1.00 0.16 N ATOM 497 CA ILE A 34 -7.656 -18.895 -21.282 1.00 0.14 C ATOM 498 C ILE A 34 -6.678 -20.025 -20.970 1.00 0.16 C ATOM 499 O ILE A 34 -6.977 -20.917 -20.175 1.00 0.19 O ATOM 500 CB ILE A 34 -7.778 -17.901 -20.098 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.168 -16.511 -20.616 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.484 -17.824 -19.301 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.535 -15.513 -19.529 1.00 0.17 C ATOM 0 H ILE A 34 -9.259 -20.213 -21.037 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.271 -18.327 -22.129 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.558 -18.266 -19.430 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.338 -16.108 -21.197 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.013 -16.615 -21.297 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.604 -17.118 -18.479 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.244 -18.809 -18.901 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.676 -17.489 -19.951 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.797 -14.558 -19.985 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.386 -15.890 -18.962 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.686 -15.375 -18.860 1.00 0.17 H new ATOM 515 N LYS A 35 -5.532 -19.990 -21.632 1.00 0.17 N ATOM 516 CA LYS A 35 -4.530 -21.038 -21.528 1.00 0.21 C ATOM 517 C LYS A 35 -3.244 -20.476 -20.929 1.00 0.20 C ATOM 518 O LYS A 35 -2.401 -19.939 -21.651 1.00 0.22 O ATOM 519 CB LYS A 35 -4.239 -21.620 -22.914 1.00 0.24 C ATOM 520 CG LYS A 35 -5.469 -22.189 -23.600 1.00 0.34 C ATOM 521 CD LYS A 35 -6.049 -23.354 -22.818 1.00 0.47 C ATOM 522 CE LYS A 35 -7.418 -23.754 -23.339 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.361 -24.302 -24.723 1.00 1.56 N ATOM 0 H LYS A 35 -5.270 -19.230 -22.260 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.912 -21.826 -20.879 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.808 -20.841 -23.544 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.489 -22.405 -22.820 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.222 -21.409 -23.706 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.207 -22.518 -24.606 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.373 -24.207 -22.880 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.125 -23.083 -21.765 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.853 -24.500 -22.674 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -8.078 -22.887 -23.321 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.319 -24.560 -25.034 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.971 -23.583 -25.365 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -6.753 -25.146 -24.738 1.00 1.56 H new ATOM 537 N GLY A 36 -3.115 -20.563 -19.613 1.00 0.25 N ATOM 538 CA GLY A 36 -1.929 -20.057 -18.948 1.00 0.28 C ATOM 539 C GLY A 36 -1.858 -18.543 -18.975 1.00 0.24 C ATOM 540 O GLY A 36 -2.644 -17.874 -18.310 1.00 0.29 O ATOM 0 H GLY A 36 -3.811 -20.975 -18.992 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -1.920 -20.401 -17.914 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.042 -20.469 -19.429 1.00 0.28 H new ATOM 544 N GLN A 37 -0.929 -18.002 -19.758 1.00 0.21 N ATOM 545 CA GLN A 37 -0.759 -16.554 -19.863 1.00 0.20 C ATOM 546 C GLN A 37 -1.485 -16.014 -21.082 1.00 0.17 C ATOM 547 O GLN A 37 -1.366 -14.835 -21.407 1.00 0.21 O ATOM 548 CB GLN A 37 0.721 -16.186 -19.991 1.00 0.24 C ATOM 549 CG GLN A 37 1.624 -16.790 -18.929 1.00 0.36 C ATOM 550 CD GLN A 37 1.404 -16.186 -17.557 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.583 -16.663 -16.781 1.00 2.10 O ATOM 552 NE2 GLN A 37 2.150 -15.136 -17.246 1.00 1.94 N ATOM 0 H GLN A 37 -0.281 -18.544 -20.330 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.174 -16.115 -18.956 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.076 -16.503 -20.972 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.815 -15.101 -19.953 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.450 -17.865 -18.880 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.665 -16.648 -19.220 1.00 0.36 H new ATOM 0 HE21 GLN A 37 2.822 -14.770 -17.921 1.00 1.94 H new ATOM 0 HE22 GLN A 37 2.053 -14.694 -16.332 1.00 1.94 H new ATOM 561 N PHE A 38 -2.231 -16.865 -21.762 1.00 0.13 N ATOM 562 CA PHE A 38 -2.841 -16.473 -23.016 1.00 0.11 C ATOM 563 C PHE A 38 -4.330 -16.695 -22.991 1.00 0.10 C ATOM 564 O PHE A 38 -4.822 -17.640 -22.390 1.00 0.12 O ATOM 565 CB PHE A 38 -2.213 -17.222 -24.193 1.00 0.13 C ATOM 566 CG PHE A 38 -0.792 -16.825 -24.449 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.502 -15.767 -25.293 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.252 -17.497 -23.835 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.804 -15.383 -25.520 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.561 -17.120 -24.062 1.00 0.29 C ATOM 571 CZ PHE A 38 1.837 -16.060 -24.904 1.00 0.32 C ATOM 0 H PHE A 38 -2.427 -17.822 -21.470 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.656 -15.407 -23.149 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.255 -18.294 -23.999 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.803 -17.037 -25.091 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.307 -15.236 -25.779 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.040 -18.323 -23.173 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.017 -14.554 -26.179 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.368 -17.653 -23.582 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.860 -15.761 -25.080 1.00 0.32 H new ATOM 581 N GLY A 39 -5.041 -15.806 -23.632 1.00 0.09 N ATOM 582 CA GLY A 39 -6.468 -15.935 -23.717 1.00 0.09 C ATOM 583 C GLY A 39 -6.925 -16.016 -25.147 1.00 0.09 C ATOM 584 O GLY A 39 -6.201 -15.620 -26.057 1.00 0.11 O ATOM 0 H GLY A 39 -4.655 -14.987 -24.101 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.787 -16.828 -23.180 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.942 -15.083 -23.229 1.00 0.09 H new ATOM 588 N PHE A 40 -8.113 -16.544 -25.348 1.00 0.09 N ATOM 589 CA PHE A 40 -8.685 -16.641 -26.674 1.00 0.10 C ATOM 590 C PHE A 40 -10.123 -16.177 -26.635 1.00 0.10 C ATOM 591 O PHE A 40 -10.835 -16.431 -25.665 1.00 0.18 O ATOM 592 CB PHE A 40 -8.613 -18.080 -27.196 1.00 0.12 C ATOM 593 CG PHE A 40 -7.213 -18.612 -27.319 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.577 -19.183 -26.226 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.537 -18.541 -28.523 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.290 -19.672 -26.335 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.248 -19.029 -28.639 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.626 -19.596 -27.542 1.00 0.17 C ATOM 0 H PHE A 40 -8.705 -16.915 -24.605 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.113 -16.006 -27.350 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.180 -18.728 -26.528 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.096 -18.127 -28.172 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.094 -19.246 -25.280 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.021 -18.100 -29.382 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.804 -20.113 -25.477 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.729 -18.967 -29.584 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.620 -19.979 -27.630 1.00 0.17 H new ATOM 608 N LEU A 41 -10.546 -15.494 -27.676 1.00 0.10 N ATOM 609 CA LEU A 41 -11.891 -14.956 -27.737 1.00 0.09 C ATOM 610 C LEU A 41 -12.642 -15.617 -28.874 1.00 0.09 C ATOM 611 O LEU A 41 -12.026 -16.069 -29.843 1.00 0.13 O ATOM 612 CB LEU A 41 -11.838 -13.437 -27.929 1.00 0.09 C ATOM 613 CG LEU A 41 -10.774 -12.741 -27.083 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.499 -11.342 -27.590 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.207 -12.703 -25.629 1.00 0.53 C ATOM 0 H LEU A 41 -9.975 -15.296 -28.498 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.413 -15.162 -26.803 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.650 -13.220 -28.981 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.814 -13.016 -27.686 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.849 -13.312 -27.163 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.737 -10.873 -26.967 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.146 -11.391 -28.620 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.415 -10.753 -27.548 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.441 -12.205 -25.034 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.146 -12.156 -25.543 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.345 -13.721 -25.264 1.00 0.53 H new ATOM 627 N ASN A 42 -13.958 -15.702 -28.752 1.00 0.11 N ATOM 628 CA ASN A 42 -14.767 -16.296 -29.807 1.00 0.15 C ATOM 629 C ASN A 42 -14.887 -15.316 -30.965 1.00 0.14 C ATOM 630 O ASN A 42 -15.898 -14.634 -31.128 1.00 0.17 O ATOM 631 CB ASN A 42 -16.153 -16.700 -29.286 1.00 0.22 C ATOM 632 CG ASN A 42 -16.887 -17.653 -30.223 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.713 -17.619 -31.441 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.707 -18.523 -29.650 1.00 1.37 N ATOM 0 H ASN A 42 -14.484 -15.372 -27.943 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.276 -17.204 -30.156 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.045 -17.171 -28.309 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.757 -15.804 -29.142 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.219 -19.194 -30.222 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -17.826 -18.521 -28.637 1.00 1.37 H new ATOM 641 N PHE A 43 -13.810 -15.216 -31.726 1.00 0.12 N ATOM 642 CA PHE A 43 -13.753 -14.335 -32.870 1.00 0.13 C ATOM 643 C PHE A 43 -12.854 -14.957 -33.936 1.00 0.16 C ATOM 644 O PHE A 43 -11.627 -14.887 -33.847 1.00 0.18 O ATOM 645 CB PHE A 43 -13.231 -12.950 -32.451 1.00 0.12 C ATOM 646 CG PHE A 43 -13.531 -11.865 -33.448 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.677 -11.095 -33.324 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.669 -11.611 -34.502 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.959 -10.096 -34.235 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.946 -10.612 -35.415 1.00 0.27 C ATOM 651 CZ PHE A 43 -14.092 -9.853 -35.280 1.00 0.28 C ATOM 0 H PHE A 43 -12.953 -15.745 -31.564 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.754 -14.204 -33.282 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.671 -12.681 -31.491 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.153 -13.007 -32.303 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.357 -11.278 -32.505 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.771 -12.200 -34.611 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.857 -9.506 -34.129 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.267 -10.425 -36.234 1.00 0.27 H new ATOM 0 HZ PHE A 43 -14.309 -9.070 -35.992 1.00 0.28 H new ATOM 661 N GLU A 44 -13.473 -15.608 -34.909 1.00 0.23 N ATOM 662 CA GLU A 44 -12.745 -16.264 -35.987 1.00 0.30 C ATOM 663 C GLU A 44 -12.487 -15.289 -37.130 1.00 0.29 C ATOM 664 O GLU A 44 -13.374 -14.990 -37.928 1.00 0.39 O ATOM 665 CB GLU A 44 -13.535 -17.480 -36.467 1.00 0.44 C ATOM 666 CG GLU A 44 -13.719 -18.538 -35.387 1.00 0.60 C ATOM 667 CD GLU A 44 -14.738 -19.590 -35.765 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.358 -20.594 -36.397 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.930 -19.417 -35.426 1.00 1.57 O ATOM 0 H GLU A 44 -14.487 -15.697 -34.975 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.776 -16.600 -35.617 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.514 -17.154 -36.818 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.022 -17.925 -37.320 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -12.761 -19.020 -35.190 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.029 -18.055 -34.460 1.00 0.60 H new ATOM 676 N VAL A 45 -11.258 -14.792 -37.188 1.00 0.30 N ATOM 677 CA VAL A 45 -10.877 -13.783 -38.167 1.00 0.38 C ATOM 678 C VAL A 45 -10.749 -14.367 -39.574 1.00 0.45 C ATOM 679 O VAL A 45 -11.249 -13.793 -40.538 1.00 0.58 O ATOM 680 CB VAL A 45 -9.559 -13.071 -37.768 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.793 -12.182 -36.555 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.447 -14.072 -37.479 1.00 0.71 C ATOM 0 H VAL A 45 -10.503 -15.074 -36.563 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.681 -13.047 -38.178 1.00 0.38 H new ATOM 0 HB VAL A 45 -9.242 -12.456 -38.611 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.861 -11.686 -36.282 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.547 -11.432 -36.794 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -10.138 -12.790 -35.719 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.538 -13.537 -37.203 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.748 -14.724 -36.659 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.258 -14.673 -38.369 1.00 0.71 H new ATOM 692 N GLU A 46 -10.097 -15.516 -39.682 1.00 0.51 N ATOM 693 CA GLU A 46 -9.864 -16.147 -40.962 1.00 0.61 C ATOM 694 C GLU A 46 -10.028 -17.657 -40.851 1.00 0.62 C ATOM 695 O GLU A 46 -9.292 -18.301 -40.110 1.00 0.97 O ATOM 696 CB GLU A 46 -8.446 -15.834 -41.448 1.00 0.75 C ATOM 697 CG GLU A 46 -7.913 -16.892 -42.393 1.00 0.88 C ATOM 698 CD GLU A 46 -6.407 -16.868 -42.541 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.710 -17.460 -41.696 1.00 2.24 O ATOM 700 OE2 GLU A 46 -5.916 -16.215 -43.491 1.00 1.57 O ATOM 0 H GLU A 46 -9.719 -16.030 -38.886 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.593 -15.758 -41.673 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.442 -14.867 -41.950 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.781 -15.750 -40.589 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -8.219 -17.875 -42.035 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.368 -16.754 -43.374 1.00 0.88 H new ATOM 707 N ASP A 47 -11.009 -18.205 -41.558 1.00 0.85 N ATOM 708 CA ASP A 47 -11.113 -19.656 -41.754 1.00 0.84 C ATOM 709 C ASP A 47 -11.198 -20.415 -40.422 1.00 0.83 C ATOM 710 O ASP A 47 -10.917 -21.610 -40.348 1.00 1.18 O ATOM 711 CB ASP A 47 -9.895 -20.128 -42.563 1.00 0.90 C ATOM 712 CG ASP A 47 -10.034 -21.535 -43.105 1.00 1.18 C ATOM 713 OD1 ASP A 47 -10.853 -21.746 -44.022 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.302 -22.433 -42.637 1.00 1.55 O ATOM 0 H ASP A 47 -11.750 -17.668 -42.009 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.035 -19.869 -42.295 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.734 -19.442 -43.394 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.008 -20.077 -41.931 1.00 0.90 H new ATOM 719 N GLY A 48 -11.610 -19.720 -39.377 1.00 0.65 N ATOM 720 CA GLY A 48 -11.695 -20.341 -38.068 1.00 0.67 C ATOM 721 C GLY A 48 -10.503 -20.020 -37.181 1.00 0.58 C ATOM 722 O GLY A 48 -10.225 -20.740 -36.221 1.00 0.66 O ATOM 0 H GLY A 48 -11.887 -18.739 -39.407 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.608 -20.011 -37.574 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.771 -21.422 -38.189 1.00 0.67 H new ATOM 726 N LYS A 49 -9.784 -18.950 -37.509 1.00 0.48 N ATOM 727 CA LYS A 49 -8.678 -18.493 -36.678 1.00 0.44 C ATOM 728 C LYS A 49 -9.214 -17.895 -35.386 1.00 0.36 C ATOM 729 O LYS A 49 -9.812 -16.820 -35.400 1.00 0.35 O ATOM 730 CB LYS A 49 -7.845 -17.435 -37.407 1.00 0.50 C ATOM 731 CG LYS A 49 -6.858 -17.975 -38.431 1.00 0.71 C ATOM 732 CD LYS A 49 -5.776 -18.822 -37.786 1.00 0.93 C ATOM 733 CE LYS A 49 -4.551 -18.937 -38.683 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.889 -19.416 -40.049 1.00 2.50 N ATOM 0 H LYS A 49 -9.948 -18.385 -38.343 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.045 -19.353 -36.458 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.523 -16.745 -37.909 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.294 -16.856 -36.666 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.393 -18.571 -39.170 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.398 -17.143 -38.964 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.489 -18.383 -36.831 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -6.168 -19.817 -37.574 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.063 -17.965 -38.753 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.835 -19.621 -38.228 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -4.014 -19.558 -40.593 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.406 -20.316 -39.983 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.483 -18.709 -40.527 1.00 2.50 H new ATOM 748 N LYS A 50 -8.984 -18.585 -34.282 1.00 0.37 N ATOM 749 CA LYS A 50 -9.440 -18.117 -32.984 1.00 0.32 C ATOM 750 C LYS A 50 -8.545 -16.974 -32.511 1.00 0.27 C ATOM 751 O LYS A 50 -7.318 -17.103 -32.502 1.00 0.36 O ATOM 752 CB LYS A 50 -9.411 -19.272 -31.974 1.00 0.41 C ATOM 753 CG LYS A 50 -10.412 -19.136 -30.835 1.00 0.47 C ATOM 754 CD LYS A 50 -11.844 -19.063 -31.351 1.00 0.47 C ATOM 755 CE LYS A 50 -12.853 -19.460 -30.287 1.00 0.69 C ATOM 756 NZ LYS A 50 -12.755 -20.898 -29.920 1.00 1.32 N ATOM 0 H LYS A 50 -8.483 -19.473 -34.259 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.464 -17.754 -33.067 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.605 -20.206 -32.502 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.408 -19.346 -31.553 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.311 -19.985 -30.158 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.187 -18.240 -30.257 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.056 -18.049 -31.691 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.952 -19.718 -32.215 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.698 -18.850 -29.397 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.859 -19.248 -30.648 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -13.517 -21.139 -29.255 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -12.845 -21.482 -30.776 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -11.834 -21.080 -29.472 1.00 1.32 H new ATOM 770 N LEU A 51 -9.156 -15.850 -32.157 1.00 0.19 N ATOM 771 CA LEU A 51 -8.404 -14.686 -31.704 1.00 0.13 C ATOM 772 C LEU A 51 -7.717 -14.955 -30.373 1.00 0.12 C ATOM 773 O LEU A 51 -8.361 -15.372 -29.412 1.00 0.16 O ATOM 774 CB LEU A 51 -9.316 -13.469 -31.572 1.00 0.13 C ATOM 775 CG LEU A 51 -9.122 -12.400 -32.650 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.963 -11.177 -32.350 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.664 -12.010 -32.758 1.00 0.16 C ATOM 0 H LEU A 51 -10.167 -15.720 -32.175 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.640 -14.481 -32.454 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.353 -13.805 -31.596 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.151 -13.014 -30.595 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.445 -12.821 -33.602 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.810 -10.430 -33.129 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -11.016 -11.458 -32.319 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.670 -10.761 -31.386 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.547 -11.249 -33.530 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.322 -11.613 -31.802 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -7.071 -12.886 -33.020 1.00 0.16 H new ATOM 789 N PHE A 52 -6.411 -14.717 -30.323 1.00 0.12 N ATOM 790 CA PHE A 52 -5.653 -14.922 -29.101 1.00 0.11 C ATOM 791 C PHE A 52 -5.191 -13.584 -28.540 1.00 0.10 C ATOM 792 O PHE A 52 -5.182 -12.572 -29.246 1.00 0.12 O ATOM 793 CB PHE A 52 -4.435 -15.824 -29.355 1.00 0.14 C ATOM 794 CG PHE A 52 -3.237 -15.103 -29.916 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.171 -14.769 -31.258 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.176 -14.756 -29.092 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.071 -14.103 -31.767 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.077 -14.091 -29.595 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.024 -13.763 -30.935 1.00 0.39 C ATOM 0 H PHE A 52 -5.859 -14.383 -31.113 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.304 -15.413 -28.378 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.150 -16.303 -28.418 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.723 -16.618 -30.044 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.987 -15.031 -31.914 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.211 -15.010 -28.043 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.031 -13.849 -32.816 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.259 -13.827 -28.941 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.165 -13.242 -31.331 1.00 0.39 H new ATOM 809 N PHE A 53 -4.813 -13.589 -27.275 1.00 0.10 N ATOM 810 CA PHE A 53 -4.236 -12.420 -26.641 1.00 0.10 C ATOM 811 C PHE A 53 -3.369 -12.863 -25.469 1.00 0.11 C ATOM 812 O PHE A 53 -3.523 -13.979 -24.970 1.00 0.13 O ATOM 813 CB PHE A 53 -5.341 -11.458 -26.181 1.00 0.10 C ATOM 814 CG PHE A 53 -6.187 -11.956 -25.038 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.744 -11.844 -23.729 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.428 -12.524 -25.272 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.522 -12.289 -22.680 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.206 -12.970 -24.226 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.754 -12.853 -22.930 1.00 0.14 C ATOM 0 H PHE A 53 -4.897 -14.400 -26.661 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.613 -11.885 -27.358 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.881 -10.514 -25.888 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -5.992 -11.245 -27.029 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.779 -11.403 -23.528 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.790 -12.618 -26.285 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.166 -12.195 -21.665 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.172 -13.412 -24.422 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.365 -13.203 -22.111 1.00 0.14 H new ATOM 829 N HIS A 54 -2.459 -12.011 -25.038 1.00 0.13 N ATOM 830 CA HIS A 54 -1.613 -12.326 -23.899 1.00 0.15 C ATOM 831 C HIS A 54 -2.165 -11.634 -22.651 1.00 0.15 C ATOM 832 O HIS A 54 -2.834 -10.604 -22.749 1.00 0.16 O ATOM 833 CB HIS A 54 -0.169 -11.885 -24.179 1.00 0.18 C ATOM 834 CG HIS A 54 0.815 -12.289 -23.121 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.668 -11.417 -22.482 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.090 -13.515 -22.610 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.410 -12.123 -21.619 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.097 -13.401 -21.658 1.00 0.27 N ATOM 0 H HIS A 54 -2.285 -11.097 -25.457 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.610 -13.403 -23.730 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.148 -12.305 -25.133 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.147 -10.800 -24.285 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.603 -14.435 -22.897 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.166 -11.699 -20.975 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.508 -14.152 -21.104 1.00 0.27 H new ATOM 846 N MET A 55 -1.885 -12.202 -21.482 1.00 0.16 N ATOM 847 CA MET A 55 -2.369 -11.661 -20.210 1.00 0.17 C ATOM 848 C MET A 55 -1.748 -10.305 -19.879 1.00 0.17 C ATOM 849 O MET A 55 -1.997 -9.749 -18.812 1.00 0.27 O ATOM 850 CB MET A 55 -2.087 -12.643 -19.070 1.00 0.24 C ATOM 851 CG MET A 55 -3.237 -13.585 -18.758 1.00 0.76 C ATOM 852 SD MET A 55 -2.921 -14.575 -17.284 1.00 1.86 S ATOM 853 CE MET A 55 -4.483 -15.436 -17.112 1.00 2.43 C ATOM 0 H MET A 55 -1.320 -13.046 -21.386 1.00 0.16 H new ATOM 0 HA MET A 55 -3.444 -11.517 -20.318 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.207 -13.234 -19.324 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.842 -12.077 -18.171 1.00 0.24 H new ATOM 0 HG2 MET A 55 -4.151 -13.007 -18.617 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.405 -14.245 -19.609 1.00 0.76 H new ATOM 0 HE1 MET A 55 -4.306 -16.435 -16.713 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.130 -14.883 -16.431 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.964 -15.515 -18.087 1.00 2.43 H new ATOM 863 N SER A 56 -0.942 -9.775 -20.785 1.00 0.16 N ATOM 864 CA SER A 56 -0.330 -8.475 -20.585 1.00 0.19 C ATOM 865 C SER A 56 -1.249 -7.387 -21.138 1.00 0.17 C ATOM 866 O SER A 56 -1.171 -6.224 -20.734 1.00 0.24 O ATOM 867 CB SER A 56 1.038 -8.427 -21.270 1.00 0.26 C ATOM 868 OG SER A 56 1.802 -7.327 -20.819 1.00 0.91 O ATOM 0 H SER A 56 -0.697 -10.227 -21.666 1.00 0.16 H new ATOM 0 HA SER A 56 -0.184 -8.303 -19.519 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.578 -9.353 -21.072 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.904 -8.361 -22.350 1.00 0.26 H new ATOM 0 HG SER A 56 2.671 -7.324 -21.273 1.00 0.91 H new ATOM 874 N GLU A 57 -2.122 -7.774 -22.064 1.00 0.14 N ATOM 875 CA GLU A 57 -3.095 -6.853 -22.635 1.00 0.17 C ATOM 876 C GLU A 57 -4.385 -6.870 -21.815 1.00 0.16 C ATOM 877 O GLU A 57 -5.302 -6.090 -22.059 1.00 0.20 O ATOM 878 CB GLU A 57 -3.397 -7.231 -24.093 1.00 0.22 C ATOM 879 CG GLU A 57 -2.180 -7.224 -25.014 1.00 0.32 C ATOM 880 CD GLU A 57 -1.364 -8.505 -24.948 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.657 -9.436 -25.725 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.416 -8.582 -24.133 1.00 1.20 O ATOM 0 H GLU A 57 -2.174 -8.723 -22.435 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.674 -5.848 -22.612 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.845 -8.224 -24.112 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.140 -6.538 -24.488 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.511 -7.066 -26.040 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.541 -6.381 -24.752 1.00 0.32 H new ATOM 889 N VAL A 58 -4.426 -7.772 -20.846 1.00 0.17 N ATOM 890 CA VAL A 58 -5.588 -7.992 -19.992 1.00 0.17 C ATOM 891 C VAL A 58 -5.876 -6.803 -19.058 1.00 0.20 C ATOM 892 O VAL A 58 -4.977 -6.040 -18.698 1.00 0.27 O ATOM 893 CB VAL A 58 -5.378 -9.302 -19.194 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.911 -9.222 -17.773 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.020 -10.465 -19.927 1.00 0.22 C ATOM 0 H VAL A 58 -3.640 -8.383 -20.626 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.469 -8.083 -20.627 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.302 -9.458 -19.119 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.735 -10.170 -17.264 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.400 -8.422 -17.237 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.981 -9.017 -17.797 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.867 -11.382 -19.358 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.089 -10.280 -20.037 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.566 -10.569 -20.912 1.00 0.22 H new ATOM 905 N GLN A 59 -7.154 -6.667 -18.701 1.00 0.20 N ATOM 906 CA GLN A 59 -7.665 -5.566 -17.886 1.00 0.25 C ATOM 907 C GLN A 59 -6.995 -5.496 -16.516 1.00 0.34 C ATOM 908 O GLN A 59 -7.353 -6.235 -15.599 1.00 0.57 O ATOM 909 CB GLN A 59 -9.182 -5.742 -17.722 1.00 0.31 C ATOM 910 CG GLN A 59 -9.922 -4.525 -17.176 1.00 0.41 C ATOM 911 CD GLN A 59 -10.174 -4.585 -15.680 1.00 0.77 C ATOM 912 OE1 GLN A 59 -11.181 -5.136 -15.230 1.00 1.60 O ATOM 913 NE2 GLN A 59 -9.285 -3.987 -14.901 1.00 1.25 N ATOM 0 H GLN A 59 -7.876 -7.333 -18.976 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.438 -4.629 -18.395 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.608 -6.002 -18.691 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.364 -6.586 -17.057 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.345 -3.628 -17.403 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.877 -4.429 -17.693 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -8.464 -3.542 -15.312 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -9.421 -3.971 -13.890 1.00 1.25 H new ATOM 922 N GLY A 60 -6.014 -4.607 -16.393 1.00 0.40 N ATOM 923 CA GLY A 60 -5.393 -4.342 -15.108 1.00 0.49 C ATOM 924 C GLY A 60 -4.555 -5.497 -14.599 1.00 0.44 C ATOM 925 O GLY A 60 -3.337 -5.528 -14.797 1.00 0.58 O ATOM 0 H GLY A 60 -5.636 -4.061 -17.167 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.765 -3.455 -15.192 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.169 -4.115 -14.377 1.00 0.49 H new ATOM 929 N ASN A 61 -5.207 -6.442 -13.937 1.00 0.47 N ATOM 930 CA ASN A 61 -4.524 -7.590 -13.360 1.00 0.52 C ATOM 931 C ASN A 61 -4.802 -8.822 -14.196 1.00 0.52 C ATOM 932 O ASN A 61 -5.899 -8.982 -14.723 1.00 0.49 O ATOM 933 CB ASN A 61 -4.988 -7.833 -11.923 1.00 0.63 C ATOM 934 CG ASN A 61 -4.676 -6.676 -10.992 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.644 -6.014 -11.118 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.576 -6.413 -10.056 1.00 1.71 N ATOM 0 H ASN A 61 -6.216 -6.435 -13.786 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.454 -7.385 -13.350 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.063 -8.014 -11.920 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.512 -8.737 -11.542 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -5.427 -5.640 -9.408 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -6.418 -6.984 -9.983 1.00 1.71 H new ATOM 943 N THR A 62 -3.820 -9.698 -14.286 1.00 0.62 N ATOM 944 CA THR A 62 -3.899 -10.871 -15.144 1.00 0.71 C ATOM 945 C THR A 62 -5.065 -11.791 -14.777 1.00 0.70 C ATOM 946 O THR A 62 -5.752 -12.315 -15.651 1.00 0.82 O ATOM 947 CB THR A 62 -2.581 -11.654 -15.080 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.252 -11.947 -13.709 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.471 -10.833 -15.707 1.00 0.95 C ATOM 0 H THR A 62 -2.945 -9.619 -13.768 1.00 0.62 H new ATOM 0 HA THR A 62 -4.075 -10.515 -16.159 1.00 0.71 H new ATOM 0 HB THR A 62 -2.693 -12.590 -15.628 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.411 -12.448 -13.674 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.535 -11.390 -15.661 1.00 0.95 H new ATOM 0 HG22 THR A 62 -1.717 -10.623 -16.748 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.361 -9.894 -15.164 1.00 0.95 H new ATOM 957 N VAL A 63 -5.294 -11.969 -13.483 1.00 0.63 N ATOM 958 CA VAL A 63 -6.346 -12.861 -13.006 1.00 0.71 C ATOM 959 C VAL A 63 -7.631 -12.072 -12.718 1.00 0.64 C ATOM 960 O VAL A 63 -8.518 -12.528 -11.996 1.00 0.74 O ATOM 961 CB VAL A 63 -5.892 -13.629 -11.740 1.00 0.84 C ATOM 962 CG1 VAL A 63 -6.797 -14.826 -11.468 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.442 -14.078 -11.874 1.00 1.31 C ATOM 0 H VAL A 63 -4.765 -11.508 -12.743 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.551 -13.589 -13.791 1.00 0.71 H new ATOM 0 HB VAL A 63 -5.968 -12.948 -10.892 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.454 -15.346 -10.573 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -7.820 -14.482 -11.318 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -6.765 -15.507 -12.318 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.143 -14.615 -10.974 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.343 -14.734 -12.739 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -3.802 -13.206 -12.005 1.00 1.31 H new ATOM 973 N ALA A 64 -7.726 -10.880 -13.301 1.00 0.55 N ATOM 974 CA ALA A 64 -8.922 -10.052 -13.171 1.00 0.53 C ATOM 975 C ALA A 64 -9.769 -10.156 -14.427 1.00 0.44 C ATOM 976 O ALA A 64 -10.717 -9.392 -14.629 1.00 0.56 O ATOM 977 CB ALA A 64 -8.551 -8.602 -12.896 1.00 0.57 C ATOM 0 H ALA A 64 -6.988 -10.465 -13.869 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.503 -10.417 -12.324 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.459 -8.006 -12.803 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -7.981 -8.542 -11.969 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -7.947 -8.219 -13.719 1.00 0.57 H new ATOM 983 N LEU A 65 -9.418 -11.115 -15.261 1.00 0.35 N ATOM 984 CA LEU A 65 -10.119 -11.354 -16.500 1.00 0.25 C ATOM 985 C LEU A 65 -10.284 -12.859 -16.681 1.00 0.22 C ATOM 986 O LEU A 65 -9.301 -13.600 -16.663 1.00 0.26 O ATOM 987 CB LEU A 65 -9.316 -10.731 -17.644 1.00 0.23 C ATOM 988 CG LEU A 65 -10.096 -10.391 -18.911 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.606 -9.078 -19.481 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.963 -11.509 -19.929 1.00 1.21 C ATOM 0 H LEU A 65 -8.637 -11.750 -15.095 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.110 -10.899 -16.491 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.847 -9.818 -17.276 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.512 -11.417 -17.911 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.152 -10.286 -18.662 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.167 -8.842 -20.385 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.751 -8.286 -18.747 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.546 -9.159 -19.723 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.525 -11.252 -20.827 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.912 -11.645 -20.185 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.357 -12.434 -19.507 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.520 -13.310 -16.848 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.815 -14.736 -16.842 1.00 0.21 C ATOM 1004 C HIS A 66 -12.477 -15.168 -18.151 1.00 0.15 C ATOM 1005 O HIS A 66 -13.016 -14.340 -18.888 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.734 -15.080 -15.660 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.195 -14.685 -14.312 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.290 -15.433 -13.588 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.463 -13.591 -13.550 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.046 -14.792 -12.439 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.735 -13.668 -12.363 1.00 0.91 N ATOM 0 H HIS A 66 -12.333 -12.710 -16.989 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.873 -15.274 -16.739 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.696 -14.590 -15.810 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -12.920 -16.154 -15.662 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.134 -12.789 -13.821 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -10.373 -15.148 -11.673 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.735 -12.996 -11.596 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.418 -16.474 -18.472 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.120 -17.030 -19.628 1.00 0.14 C ATOM 1021 C PRO A 67 -14.634 -16.984 -19.451 1.00 0.15 C ATOM 1022 O PRO A 67 -15.147 -17.151 -18.344 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.628 -18.475 -19.694 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.177 -18.791 -18.310 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.649 -17.502 -17.747 1.00 0.19 C ATOM 0 HA PRO A 67 -12.919 -16.465 -20.538 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.423 -19.149 -20.014 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.813 -18.582 -20.409 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -13.002 -19.172 -17.708 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.405 -19.560 -18.316 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.808 -17.438 -16.671 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.578 -17.398 -17.918 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.343 -16.753 -20.549 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.786 -16.630 -20.495 1.00 0.18 C ATOM 1035 C GLY A 68 -17.226 -15.204 -20.242 1.00 0.18 C ATOM 1036 O GLY A 68 -18.410 -14.885 -20.332 1.00 0.22 O ATOM 0 H GLY A 68 -14.941 -16.648 -21.481 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.215 -16.980 -21.434 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.175 -17.274 -19.707 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.267 -14.347 -19.926 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.544 -12.936 -19.713 1.00 0.20 C ATOM 1042 C ASP A 69 -16.487 -12.172 -21.027 1.00 0.13 C ATOM 1043 O ASP A 69 -15.651 -12.460 -21.883 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.533 -12.331 -18.738 1.00 0.27 C ATOM 1045 CG ASP A 69 -15.907 -12.554 -17.292 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.776 -11.811 -16.788 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.323 -13.445 -16.646 1.00 1.09 O ATOM 0 H ASP A 69 -15.287 -14.606 -19.811 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.546 -12.854 -19.293 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.551 -12.765 -18.925 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.450 -11.261 -18.926 1.00 0.27 H new ATOM 1052 N THR A 70 -17.389 -11.216 -21.194 1.00 0.13 N ATOM 1053 CA THR A 70 -17.335 -10.320 -22.334 1.00 0.11 C ATOM 1054 C THR A 70 -16.142 -9.390 -22.182 1.00 0.10 C ATOM 1055 O THR A 70 -15.842 -8.937 -21.076 1.00 0.14 O ATOM 1056 CB THR A 70 -18.626 -9.490 -22.444 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.753 -10.318 -22.114 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.792 -8.941 -23.856 1.00 0.15 C ATOM 0 H THR A 70 -18.165 -11.043 -20.555 1.00 0.13 H new ATOM 0 HA THR A 70 -17.233 -10.915 -23.242 1.00 0.11 H new ATOM 0 HB THR A 70 -18.566 -8.652 -21.750 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.540 -9.754 -21.961 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.711 -8.357 -23.914 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.942 -8.305 -24.101 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.843 -9.768 -24.564 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.443 -9.138 -23.271 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.292 -8.255 -23.240 1.00 0.12 C ATOM 1068 C VAL A 71 -14.259 -7.359 -24.461 1.00 0.12 C ATOM 1069 O VAL A 71 -14.910 -7.630 -25.475 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.956 -9.028 -23.158 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.813 -9.735 -21.822 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.842 -10.021 -24.303 1.00 0.24 C ATOM 0 H VAL A 71 -15.651 -9.532 -24.189 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.400 -7.653 -22.338 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.144 -8.305 -23.244 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.864 -10.270 -21.793 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.840 -9.001 -21.017 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.632 -10.442 -21.695 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.895 -10.555 -24.228 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.666 -10.733 -24.250 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.884 -9.488 -25.253 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.507 -6.289 -24.339 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.257 -5.397 -25.442 1.00 0.14 C ATOM 1084 C GLU A 72 -11.781 -5.479 -25.780 1.00 0.14 C ATOM 1085 O GLU A 72 -10.933 -5.497 -24.891 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.699 -3.966 -25.087 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.622 -2.909 -25.249 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.165 -1.498 -25.114 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.458 -0.638 -24.540 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.310 -1.248 -25.545 1.00 0.78 O ATOM 0 H GLU A 72 -13.051 -6.014 -23.469 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.837 -5.687 -26.318 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.549 -3.697 -25.714 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.048 -3.954 -24.054 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.846 -3.069 -24.501 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.151 -3.022 -26.226 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.490 -5.582 -27.059 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.134 -5.792 -27.535 1.00 0.08 C ATOM 1099 C PHE A 73 -9.947 -5.078 -28.859 1.00 0.07 C ATOM 1100 O PHE A 73 -10.880 -4.467 -29.372 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.852 -7.295 -27.690 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.877 -8.029 -28.514 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.651 -8.313 -29.852 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.068 -8.445 -27.941 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.591 -8.994 -30.595 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -13.008 -9.125 -28.683 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.770 -9.400 -30.011 1.00 0.10 C ATOM 0 H PHE A 73 -12.186 -5.523 -27.802 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.430 -5.385 -26.809 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.872 -7.425 -28.148 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.804 -7.749 -26.700 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.729 -7.997 -30.317 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.262 -8.233 -26.900 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.403 -9.209 -31.636 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.932 -9.443 -28.223 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.507 -9.933 -30.594 1.00 0.10 H new ATOM 1117 N SER A 74 -8.759 -5.151 -29.419 1.00 0.09 N ATOM 1118 CA SER A 74 -8.498 -4.499 -30.682 1.00 0.10 C ATOM 1119 C SER A 74 -7.938 -5.510 -31.648 1.00 0.12 C ATOM 1120 O SER A 74 -6.970 -6.200 -31.339 1.00 0.19 O ATOM 1121 CB SER A 74 -7.523 -3.331 -30.515 1.00 0.15 C ATOM 1122 OG SER A 74 -7.397 -2.599 -31.716 1.00 0.86 O ATOM 0 H SER A 74 -7.964 -5.652 -29.022 1.00 0.09 H new ATOM 0 HA SER A 74 -9.433 -4.093 -31.068 1.00 0.10 H new ATOM 0 HB2 SER A 74 -7.872 -2.673 -29.719 1.00 0.15 H new ATOM 0 HB3 SER A 74 -6.547 -3.709 -30.211 1.00 0.15 H new ATOM 0 HG SER A 74 -8.265 -2.213 -31.957 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.563 -5.603 -32.804 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.190 -6.595 -33.783 1.00 0.19 C ATOM 1130 C VAL A 75 -7.033 -6.090 -34.644 1.00 0.20 C ATOM 1131 O VAL A 75 -7.219 -5.309 -35.578 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.417 -6.999 -34.646 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.102 -5.781 -35.247 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.027 -7.987 -35.738 1.00 0.36 C ATOM 0 H VAL A 75 -9.335 -4.999 -33.086 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.846 -7.489 -33.263 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.128 -7.491 -33.982 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.956 -6.101 -35.844 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.445 -5.125 -34.447 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.397 -5.243 -35.881 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.908 -8.249 -36.323 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.280 -7.533 -36.390 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.613 -8.887 -35.283 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.830 -6.516 -34.290 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.641 -6.135 -35.026 1.00 0.26 C ATOM 1146 C VAL A 76 -4.217 -7.271 -35.953 1.00 0.25 C ATOM 1147 O VAL A 76 -3.856 -8.360 -35.504 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.478 -5.738 -34.080 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.187 -6.825 -33.053 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.223 -5.420 -34.873 1.00 0.42 C ATOM 0 H VAL A 76 -5.654 -7.128 -33.493 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.884 -5.256 -35.623 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.793 -4.844 -33.541 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.366 -6.508 -32.410 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -4.076 -7.000 -32.447 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.911 -7.746 -33.566 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.420 -5.144 -34.189 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.924 -6.296 -35.448 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.422 -4.591 -35.552 1.00 0.42 H new ATOM 1160 N THR A 77 -4.309 -7.020 -37.245 1.00 0.34 N ATOM 1161 CA THR A 77 -3.990 -8.019 -38.249 1.00 0.38 C ATOM 1162 C THR A 77 -2.485 -8.176 -38.400 1.00 0.44 C ATOM 1163 O THR A 77 -1.763 -7.188 -38.533 1.00 0.56 O ATOM 1164 CB THR A 77 -4.595 -7.620 -39.605 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.964 -7.238 -39.426 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.514 -8.762 -40.611 1.00 0.62 C ATOM 0 H THR A 77 -4.606 -6.122 -37.628 1.00 0.34 H new ATOM 0 HA THR A 77 -4.414 -8.969 -37.923 1.00 0.38 H new ATOM 0 HB THR A 77 -4.020 -6.781 -39.997 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.348 -6.982 -40.291 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.951 -8.444 -41.558 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.471 -9.036 -40.767 1.00 0.62 H new ATOM 0 HG23 THR A 77 -5.063 -9.623 -40.229 1.00 0.62 H new ATOM 1174 N ASN A 78 -2.010 -9.415 -38.365 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.605 -9.696 -38.595 1.00 0.57 C ATOM 1176 C ASN A 78 -0.258 -9.330 -40.025 1.00 0.66 C ATOM 1177 O ASN A 78 -0.729 -9.972 -40.959 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.308 -11.182 -38.381 1.00 0.64 C ATOM 1179 CG ASN A 78 1.125 -11.441 -37.963 1.00 1.10 C ATOM 1180 OD1 ASN A 78 2.011 -11.563 -38.805 1.00 1.82 O ATOM 1181 ND2 ASN A 78 1.362 -11.541 -36.664 1.00 1.54 N ATOM 0 H ASN A 78 -2.581 -10.240 -38.179 1.00 0.44 H new ATOM 0 HA ASN A 78 -0.011 -9.112 -37.892 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.981 -11.576 -37.619 1.00 0.64 H new ATOM 0 HB3 ASN A 78 -0.517 -11.726 -39.302 1.00 0.64 H new ATOM 0 HD21 ASN A 78 2.308 -11.726 -36.331 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.598 -11.433 -35.996 1.00 1.54 H new ATOM 1188 N GLN A 79 0.549 -8.300 -40.207 1.00 0.79 N ATOM 1189 CA GLN A 79 0.915 -7.864 -41.548 1.00 0.91 C ATOM 1190 C GLN A 79 1.793 -8.899 -42.247 1.00 0.94 C ATOM 1191 O GLN A 79 2.015 -8.822 -43.455 1.00 1.06 O ATOM 1192 CB GLN A 79 1.590 -6.491 -41.494 1.00 1.09 C ATOM 1193 CG GLN A 79 2.770 -6.400 -40.539 1.00 1.18 C ATOM 1194 CD GLN A 79 4.094 -6.749 -41.187 1.00 1.43 C ATOM 1195 OE1 GLN A 79 4.535 -7.897 -41.155 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.739 -5.759 -41.782 1.00 1.90 N ATOM 0 H GLN A 79 0.962 -7.752 -39.452 1.00 0.79 H new ATOM 0 HA GLN A 79 0.005 -7.768 -42.140 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.930 -6.229 -42.496 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.848 -5.747 -41.204 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.826 -5.388 -40.137 1.00 1.18 H new ATOM 0 HG3 GLN A 79 2.599 -7.069 -39.696 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.340 -4.820 -41.787 1.00 1.90 H new ATOM 0 HE22 GLN A 79 5.635 -5.934 -42.236 1.00 1.90 H new ATOM 1205 N ARG A 80 2.281 -9.861 -41.479 1.00 0.93 N ATOM 1206 CA ARG A 80 3.092 -10.936 -42.024 1.00 1.03 C ATOM 1207 C ARG A 80 2.252 -12.190 -42.304 1.00 1.02 C ATOM 1208 O ARG A 80 2.192 -12.664 -43.437 1.00 1.21 O ATOM 1209 CB ARG A 80 4.246 -11.258 -41.064 1.00 1.18 C ATOM 1210 CG ARG A 80 5.153 -12.387 -41.536 1.00 1.35 C ATOM 1211 CD ARG A 80 5.776 -12.098 -42.892 1.00 1.67 C ATOM 1212 NE ARG A 80 6.605 -10.892 -42.883 1.00 2.41 N ATOM 1213 CZ ARG A 80 7.500 -10.598 -43.822 1.00 3.02 C ATOM 1214 NH1 ARG A 80 7.728 -11.443 -44.817 1.00 3.01 N ATOM 1215 NH2 ARG A 80 8.168 -9.454 -43.761 1.00 3.99 N ATOM 0 H ARG A 80 2.128 -9.918 -40.472 1.00 0.93 H new ATOM 0 HA ARG A 80 3.504 -10.602 -42.976 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.847 -10.360 -40.921 1.00 1.18 H new ATOM 0 HB3 ARG A 80 3.832 -11.522 -40.091 1.00 1.18 H new ATOM 0 HG2 ARG A 80 5.943 -12.546 -40.802 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.579 -13.312 -41.592 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.383 -12.950 -43.198 1.00 1.67 H new ATOM 0 HD3 ARG A 80 4.986 -11.986 -43.635 1.00 1.67 H new ATOM 0 HE ARG A 80 6.489 -10.237 -42.110 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.216 -12.324 -44.865 1.00 3.01 H new ATOM 0 HH12 ARG A 80 8.415 -11.213 -45.534 1.00 3.01 H new ATOM 0 HH21 ARG A 80 7.995 -8.802 -42.996 1.00 3.99 H new ATOM 0 HH22 ARG A 80 8.855 -9.226 -44.480 1.00 3.99 H new ATOM 1229 N ASN A 81 1.606 -12.720 -41.271 1.00 0.91 N ATOM 1230 CA ASN A 81 0.888 -13.993 -41.383 1.00 1.01 C ATOM 1231 C ASN A 81 -0.574 -13.811 -41.786 1.00 0.87 C ATOM 1232 O ASN A 81 -1.165 -14.697 -42.401 1.00 1.04 O ATOM 1233 CB ASN A 81 0.964 -14.770 -40.067 1.00 1.16 C ATOM 1234 CG ASN A 81 2.316 -15.429 -39.840 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.349 -14.951 -40.309 1.00 1.95 O ATOM 1236 ND2 ASN A 81 2.316 -16.544 -39.125 1.00 2.21 N ATOM 0 H ASN A 81 1.562 -12.292 -40.346 1.00 0.91 H new ATOM 0 HA ASN A 81 1.380 -14.558 -42.175 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.753 -14.093 -39.239 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.188 -15.535 -40.058 1.00 1.16 H new ATOM 0 HD21 ASN A 81 3.192 -17.036 -38.947 1.00 2.21 H new ATOM 0 HD22 ASN A 81 1.440 -16.911 -38.752 1.00 2.21 H new ATOM 1243 N GLY A 82 -1.161 -12.680 -41.428 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.536 -12.413 -41.809 1.00 0.69 C ATOM 1245 C GLY A 82 -3.534 -12.593 -40.676 1.00 0.52 C ATOM 1246 O GLY A 82 -4.607 -11.998 -40.699 1.00 0.58 O ATOM 0 H GLY A 82 -0.714 -11.943 -40.882 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.607 -11.392 -42.184 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.810 -13.075 -42.631 1.00 0.69 H new ATOM 1250 N LYS A 83 -3.194 -13.406 -39.686 1.00 0.45 N ATOM 1251 CA LYS A 83 -4.080 -13.611 -38.545 1.00 0.39 C ATOM 1252 C LYS A 83 -4.042 -12.400 -37.635 1.00 0.35 C ATOM 1253 O LYS A 83 -3.041 -11.703 -37.566 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.670 -14.858 -37.761 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.306 -14.726 -37.106 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.390 -14.449 -35.605 1.00 1.01 C ATOM 1257 CE LYS A 83 -2.734 -15.698 -34.798 1.00 1.61 C ATOM 1258 NZ LYS A 83 -4.153 -16.114 -34.952 1.00 2.42 N ATOM 0 H LYS A 83 -2.320 -13.931 -39.647 1.00 0.45 H new ATOM 0 HA LYS A 83 -5.095 -13.751 -38.918 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.417 -15.060 -36.994 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.663 -15.717 -38.433 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.740 -15.643 -37.270 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.754 -13.920 -37.589 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -1.437 -14.048 -35.259 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -3.144 -13.683 -35.422 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -2.085 -16.516 -35.110 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -2.528 -15.512 -33.744 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -4.453 -16.643 -34.109 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -4.752 -15.271 -35.063 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -4.248 -16.719 -35.792 1.00 2.42 H new ATOM 1272 N SER A 84 -5.120 -12.148 -36.938 1.00 0.31 N ATOM 1273 CA SER A 84 -5.173 -11.008 -36.055 1.00 0.25 C ATOM 1274 C SER A 84 -4.918 -11.412 -34.605 1.00 0.24 C ATOM 1275 O SER A 84 -4.799 -12.602 -34.290 1.00 0.30 O ATOM 1276 CB SER A 84 -6.527 -10.342 -36.186 1.00 0.27 C ATOM 1277 OG SER A 84 -6.868 -10.156 -37.550 1.00 1.08 O ATOM 0 H SER A 84 -5.969 -12.712 -36.963 1.00 0.31 H new ATOM 0 HA SER A 84 -4.388 -10.308 -36.341 1.00 0.25 H new ATOM 0 HB2 SER A 84 -7.286 -10.952 -35.697 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.514 -9.379 -35.675 1.00 0.27 H new ATOM 0 HG SER A 84 -7.747 -9.726 -37.612 1.00 1.08 H new ATOM 1283 N SER A 85 -4.847 -10.409 -33.738 1.00 0.20 N ATOM 1284 CA SER A 85 -4.609 -10.611 -32.317 1.00 0.20 C ATOM 1285 C SER A 85 -5.435 -9.602 -31.522 1.00 0.18 C ATOM 1286 O SER A 85 -5.919 -8.622 -32.089 1.00 0.26 O ATOM 1287 CB SER A 85 -3.122 -10.432 -32.003 1.00 0.25 C ATOM 1288 OG SER A 85 -2.314 -11.128 -32.939 1.00 0.87 O ATOM 0 H SER A 85 -4.953 -9.430 -34.003 1.00 0.20 H new ATOM 0 HA SER A 85 -4.904 -11.623 -32.040 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.869 -9.372 -32.018 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.913 -10.796 -30.997 1.00 0.25 H new ATOM 0 HG SER A 85 -2.181 -12.050 -32.635 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.615 -9.846 -30.229 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.349 -8.937 -29.375 1.00 0.12 C ATOM 1296 C ALA A 86 -5.392 -8.127 -28.520 1.00 0.13 C ATOM 1297 O ALA A 86 -4.650 -8.669 -27.708 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.322 -9.704 -28.489 1.00 0.13 C ATOM 0 H ALA A 86 -5.257 -10.674 -29.752 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.918 -8.255 -30.008 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.865 -9.004 -27.854 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.029 -10.251 -29.113 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.770 -10.407 -27.865 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.404 -6.829 -28.720 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.643 -5.929 -27.879 1.00 0.17 C ATOM 1306 C CYS A 87 -5.599 -5.008 -27.156 1.00 0.17 C ATOM 1307 O CYS A 87 -6.656 -4.687 -27.693 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.657 -5.120 -28.718 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.246 -6.080 -29.306 1.00 0.68 S ATOM 0 H CYS A 87 -5.934 -6.370 -29.461 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.072 -6.506 -27.152 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.182 -4.700 -29.576 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.293 -4.281 -28.126 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.464 -5.316 -30.009 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.237 -4.604 -25.942 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.107 -3.771 -25.111 1.00 0.20 C ATOM 1317 C ASN A 88 -7.368 -4.561 -24.759 1.00 0.18 C ATOM 1318 O ASN A 88 -8.450 -4.295 -25.278 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.454 -2.458 -25.842 1.00 0.27 C ATOM 1320 CG ASN A 88 -7.227 -1.462 -24.994 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -6.639 -0.647 -24.284 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -8.548 -1.500 -25.087 1.00 1.60 N ATOM 0 H ASN A 88 -4.344 -4.840 -25.509 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.590 -3.505 -24.189 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.531 -1.989 -26.183 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.039 -2.693 -26.731 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -9.116 -0.838 -24.558 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -8.997 -2.192 -25.687 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.188 -5.583 -23.926 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.282 -6.452 -23.503 1.00 0.15 C ATOM 1331 C VAL A 89 -8.886 -5.966 -22.198 1.00 0.19 C ATOM 1332 O VAL A 89 -8.298 -6.113 -21.131 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.813 -7.918 -23.331 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.946 -8.802 -22.833 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.266 -8.460 -24.638 1.00 0.14 C ATOM 0 H VAL A 89 -6.283 -5.831 -23.527 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.037 -6.416 -24.289 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.018 -7.927 -22.585 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.587 -9.825 -22.722 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.298 -8.434 -21.869 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.766 -8.781 -23.551 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.942 -9.491 -24.497 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.044 -8.426 -25.400 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.418 -7.853 -24.957 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.061 -5.387 -22.297 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.741 -4.845 -21.140 1.00 0.16 C ATOM 1347 C LEU A 90 -11.991 -5.642 -20.821 1.00 0.11 C ATOM 1348 O LEU A 90 -12.619 -6.218 -21.706 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.086 -3.373 -21.357 1.00 0.26 C ATOM 1350 CG LEU A 90 -9.945 -2.367 -21.142 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -9.359 -2.489 -19.746 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -8.860 -2.550 -22.179 1.00 1.12 C ATOM 0 H LEU A 90 -10.570 -5.278 -23.174 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.065 -4.919 -20.288 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.458 -3.255 -22.375 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -11.904 -3.111 -20.686 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.366 -1.368 -21.251 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.554 -1.764 -19.625 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.136 -2.295 -19.007 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -8.966 -3.495 -19.603 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.064 -1.826 -22.005 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.454 -3.559 -22.107 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.278 -2.397 -23.174 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.338 -5.671 -19.549 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.412 -6.511 -19.067 1.00 0.18 C ATOM 1366 C LYS A 91 -14.764 -5.835 -19.266 1.00 0.18 C ATOM 1367 O LYS A 91 -15.007 -4.733 -18.787 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.197 -6.841 -17.592 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.078 -8.328 -17.314 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.324 -9.081 -17.749 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.576 -8.551 -17.053 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.800 -9.306 -17.428 1.00 1.33 N ATOM 0 H LYS A 91 -11.884 -5.114 -18.825 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.408 -7.437 -19.642 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.293 -6.341 -17.244 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.027 -6.437 -17.013 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.209 -8.728 -17.837 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.910 -8.487 -16.249 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.443 -8.994 -18.829 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.205 -10.141 -17.526 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.437 -8.604 -15.973 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.710 -7.499 -17.306 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.572 -9.061 -16.776 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.076 -9.060 -18.400 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -16.610 -10.327 -17.370 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.650 -6.517 -19.965 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.941 -5.951 -20.302 1.00 0.18 C ATOM 1388 C ILE A 92 -18.073 -6.756 -19.673 1.00 0.27 C ATOM 1389 O ILE A 92 -17.997 -7.983 -19.563 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.135 -5.903 -21.838 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.008 -5.098 -22.501 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.496 -5.317 -22.204 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.000 -3.635 -22.124 1.00 0.16 C ATOM 0 H ILE A 92 -15.499 -7.465 -20.311 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.967 -4.936 -19.906 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.097 -6.926 -22.211 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.050 -5.539 -22.227 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.101 -5.184 -23.584 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.603 -5.296 -23.288 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.285 -5.933 -21.773 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.573 -4.303 -21.812 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.176 -3.133 -22.631 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.943 -3.177 -22.423 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.875 -3.538 -21.046 1.00 0.16 H new ATOM 1405 N ASN A 93 -19.102 -6.056 -19.233 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.308 -6.696 -18.751 1.00 0.65 C ATOM 1407 C ASN A 93 -21.462 -6.363 -19.678 1.00 0.72 C ATOM 1408 O ASN A 93 -21.514 -5.272 -20.248 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.640 -6.245 -17.323 1.00 0.84 C ATOM 1410 CG ASN A 93 -20.939 -4.758 -17.224 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -20.035 -3.948 -17.034 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -22.210 -4.386 -17.342 1.00 2.57 N ATOM 0 H ASN A 93 -19.125 -5.037 -19.200 1.00 0.45 H new ATOM 0 HA ASN A 93 -20.145 -7.774 -18.736 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -21.500 -6.808 -16.961 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -19.803 -6.486 -16.668 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -22.461 -3.400 -17.275 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -22.934 -5.087 -17.499 1.00 2.57 H new ATOM 1419 N ASP A 94 -22.370 -7.303 -19.841 1.00 0.91 N ATOM 1420 CA ASP A 94 -23.579 -7.063 -20.618 1.00 1.18 C ATOM 1421 C ASP A 94 -24.533 -6.178 -19.832 1.00 1.71 C ATOM 1422 O ASP A 94 -24.363 -6.000 -18.621 1.00 2.21 O ATOM 1423 CB ASP A 94 -24.268 -8.383 -20.974 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.452 -9.232 -21.929 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -23.708 -9.174 -23.149 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -22.545 -9.950 -21.464 1.00 2.81 O ATOM 0 H ASP A 94 -22.298 -8.241 -19.448 1.00 0.91 H new ATOM 0 HA ASP A 94 -23.299 -6.560 -21.543 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -24.454 -8.948 -20.061 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -25.239 -8.172 -21.422 1.00 1.74 H new TER 1431 ASP A 94