USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1074 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 45 TYR OH : rot -46:sc= 1.17 USER MOD Set 1.2: A 57 THR OG1 : rot 77:sc= 2.29 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.445 K(o=0.046,f=-3.5!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -170:sc= 0.491 (180deg=0) USER MOD Set 3.1: A 17 SER OG : rot 81:sc= 0.034 USER MOD Set 3.2: A 20 GLN : amide:sc= 1.15 K(o=1.2,f=-8!) USER MOD Set 4.1: A 8 SER OG : rot -85:sc= 0.882 USER MOD Set 4.2: A 12 HIS : no HD1:sc= 0.594 K(o=1.5,f=-1.9) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 HIS : no HE2:sc= 1.03 K(o=1,f=-6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot -176:sc= -0.158 USER MOD Single : A -4 GLY N :NH3+ 179:sc= 1.13 (180deg=1.13) USER MOD Single : A 11 THR OG1 : rot -119:sc= -1.69! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.047 (180deg=-0.419) USER MOD Single : A 27 MET CE :methyl 158:sc= -0.875 (180deg=-1.59) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc=-0.00887 (180deg=-0.115) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.605) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= 1.32 (180deg=1.2) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.69! USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.582) USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= 1.14 (180deg=0.97) USER MOD Single : A 59 HIS : no HD1:sc= 0.649 K(o=0.65,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.659 K(o=-0.66,f=-6.7!) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc=-0.00145 (180deg=-0.0247) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc=-0.00548 (180deg=-0.113) USER MOD Single : A 82 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.2!) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.18) USER MOD Single : A 86 SER OG : rot -28:sc= 0.285 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.0388 (180deg=-0.277) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.592 K(o=-0.59,f=-3.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= -0.138 (180deg=-0.159) USER MOD Single : A 110 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.1) USER MOD Single : A 111 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.14) USER MOD Single : A 112 TYR OH : rot -126:sc= 0.37 USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.298) USER MOD Single : A 122 LYS NZ :NH3+ -136:sc= -0.707 (180deg=-2.76!) USER MOD Single : A 124 TYR OH : rot 76:sc= 0.311 USER MOD Single : A 127 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 129 SER OG : rot 45:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -5.361 -5.815 -17.218 1.00 12.20 N ATOM 2 CA GLY A -4 -6.684 -5.163 -17.104 1.00 11.71 C ATOM 3 C GLY A -4 -6.611 -3.880 -16.308 1.00 10.84 C ATOM 4 O GLY A -4 -5.591 -3.188 -16.347 1.00 10.86 O ATOM 0 H1 GLY A -4 -5.455 -6.700 -17.756 1.00 12.20 H new ATOM 0 H2 GLY A -4 -4.702 -5.179 -17.710 1.00 12.20 H new ATOM 0 H3 GLY A -4 -4.994 -6.025 -16.268 1.00 12.20 H new ATOM 0 HA2 GLY A -4 -7.072 -4.951 -18.100 1.00 11.71 H new ATOM 0 HA3 GLY A -4 -7.386 -5.847 -16.628 1.00 11.71 H new ATOM 9 N SER A -3 -7.688 -3.579 -15.582 1.00 10.23 N ATOM 10 CA SER A -3 -7.779 -2.377 -14.753 1.00 9.45 C ATOM 11 C SER A -3 -7.878 -1.106 -15.604 1.00 8.46 C ATOM 12 O SER A -3 -6.865 -0.550 -16.032 1.00 8.10 O ATOM 13 CB SER A -3 -6.589 -2.276 -13.786 1.00 9.56 C ATOM 14 OG SER A -3 -6.590 -3.350 -12.857 1.00 9.90 O ATOM 0 H SER A -3 -8.524 -4.163 -15.552 1.00 10.23 H new ATOM 0 HA SER A -3 -8.695 -2.464 -14.169 1.00 9.45 H new ATOM 0 HB2 SER A -3 -5.657 -2.281 -14.351 1.00 9.56 H new ATOM 0 HB3 SER A -3 -6.632 -1.328 -13.250 1.00 9.56 H new ATOM 0 HG SER A -3 -5.857 -3.230 -12.218 1.00 9.90 H new ATOM 20 N PRO A -2 -9.112 -0.647 -15.874 1.00 8.27 N ATOM 21 CA PRO A -2 -9.361 0.631 -16.548 1.00 7.59 C ATOM 22 C PRO A -2 -9.049 1.810 -15.631 1.00 6.73 C ATOM 23 O PRO A -2 -9.942 2.558 -15.226 1.00 6.54 O ATOM 24 CB PRO A -2 -10.862 0.594 -16.877 1.00 8.12 C ATOM 25 CG PRO A -2 -11.298 -0.809 -16.614 1.00 8.87 C ATOM 26 CD PRO A -2 -10.366 -1.343 -15.568 1.00 9.01 C ATOM 0 HA PRO A -2 -8.734 0.759 -17.430 1.00 7.59 H new ATOM 0 HB2 PRO A -2 -11.416 1.299 -16.257 1.00 8.12 H new ATOM 0 HB3 PRO A -2 -11.042 0.872 -17.915 1.00 8.12 H new ATOM 0 HG2 PRO A -2 -12.331 -0.838 -16.267 1.00 8.87 H new ATOM 0 HG3 PRO A -2 -11.250 -1.409 -17.523 1.00 8.87 H new ATOM 0 HD2 PRO A -2 -10.717 -1.121 -14.560 1.00 9.01 H new ATOM 0 HD3 PRO A -2 -10.256 -2.425 -15.637 1.00 9.01 H new ATOM 34 N GLU A -1 -7.780 1.957 -15.294 1.00 6.51 N ATOM 35 CA GLU A -1 -7.345 2.970 -14.351 1.00 6.05 C ATOM 36 C GLU A -1 -7.188 4.331 -15.025 1.00 5.17 C ATOM 37 O GLU A -1 -6.376 4.504 -15.932 1.00 5.34 O ATOM 38 CB GLU A -1 -6.030 2.534 -13.693 1.00 6.62 C ATOM 39 CG GLU A -1 -4.929 2.193 -14.685 1.00 7.11 C ATOM 40 CD GLU A -1 -3.775 1.451 -14.048 1.00 7.82 C ATOM 41 OE1 GLU A -1 -3.929 0.243 -13.785 1.00 8.12 O ATOM 42 OE2 GLU A -1 -2.704 2.061 -13.837 1.00 8.29 O ATOM 0 H GLU A -1 -7.025 1.380 -15.665 1.00 6.51 H new ATOM 0 HA GLU A -1 -8.111 3.076 -13.583 1.00 6.05 H new ATOM 0 HB2 GLU A -1 -5.681 3.332 -13.038 1.00 6.62 H new ATOM 0 HB3 GLU A -1 -6.221 1.665 -13.063 1.00 6.62 H new ATOM 0 HG2 GLU A -1 -5.346 1.586 -15.489 1.00 7.11 H new ATOM 0 HG3 GLU A -1 -4.558 3.112 -15.139 1.00 7.11 H new ATOM 49 N PHE A 0 -7.990 5.287 -14.584 1.00 4.52 N ATOM 50 CA PHE A 0 -7.857 6.664 -15.037 1.00 3.81 C ATOM 51 C PHE A 0 -6.802 7.355 -14.191 1.00 2.87 C ATOM 52 O PHE A 0 -6.226 8.374 -14.576 1.00 2.71 O ATOM 53 CB PHE A 0 -9.196 7.396 -14.937 1.00 4.15 C ATOM 54 CG PHE A 0 -10.284 6.766 -15.759 1.00 4.33 C ATOM 55 CD1 PHE A 0 -10.356 6.987 -17.124 1.00 4.43 C ATOM 56 CD2 PHE A 0 -11.231 5.946 -15.167 1.00 4.83 C ATOM 57 CE1 PHE A 0 -11.351 6.404 -17.885 1.00 4.95 C ATOM 58 CE2 PHE A 0 -12.230 5.361 -15.922 1.00 5.34 C ATOM 59 CZ PHE A 0 -12.289 5.590 -17.284 1.00 5.37 C ATOM 0 H PHE A 0 -8.742 5.135 -13.911 1.00 4.52 H new ATOM 0 HA PHE A 0 -7.552 6.678 -16.083 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -9.509 7.424 -13.893 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -9.061 8.429 -15.257 1.00 4.15 H new ATOM 0 HD1 PHE A 0 -9.625 7.623 -17.600 1.00 4.43 H new ATOM 0 HD2 PHE A 0 -11.188 5.762 -14.104 1.00 4.83 H new ATOM 0 HE1 PHE A 0 -11.394 6.585 -18.949 1.00 4.95 H new ATOM 0 HE2 PHE A 0 -12.964 4.726 -15.448 1.00 5.34 H new ATOM 0 HZ PHE A 0 -13.068 5.133 -17.876 1.00 5.37 H new ATOM 69 N HIS A 1 -6.568 6.780 -13.023 1.00 2.77 N ATOM 70 CA HIS A 1 -5.485 7.192 -12.152 1.00 2.43 C ATOM 71 C HIS A 1 -4.615 5.983 -11.859 1.00 2.13 C ATOM 72 O HIS A 1 -5.128 4.925 -11.491 1.00 2.87 O ATOM 73 CB HIS A 1 -6.019 7.784 -10.844 1.00 3.10 C ATOM 74 CG HIS A 1 -6.789 9.053 -11.025 1.00 3.96 C ATOM 75 ND1 HIS A 1 -8.110 9.190 -10.662 1.00 4.72 N ATOM 76 CD2 HIS A 1 -6.408 10.256 -11.516 1.00 4.59 C ATOM 77 CE1 HIS A 1 -8.509 10.421 -10.920 1.00 5.61 C ATOM 78 NE2 HIS A 1 -7.494 11.089 -11.439 1.00 5.54 N ATOM 0 H HIS A 1 -7.127 6.012 -12.653 1.00 2.77 H new ATOM 0 HA HIS A 1 -4.902 7.967 -12.650 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -6.659 7.048 -10.358 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -5.181 7.971 -10.172 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -5.430 10.512 -11.897 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -9.498 10.816 -10.738 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -7.515 12.065 -11.734 1.00 5.54 H new ATOM 87 N HIS A 2 -3.310 6.128 -12.028 1.00 1.52 N ATOM 88 CA HIS A 2 -2.388 5.008 -11.860 1.00 1.53 C ATOM 89 C HIS A 2 -2.123 4.726 -10.387 1.00 1.34 C ATOM 90 O HIS A 2 -0.994 4.864 -9.907 1.00 2.13 O ATOM 91 CB HIS A 2 -1.072 5.271 -12.596 1.00 1.86 C ATOM 92 CG HIS A 2 -1.221 5.308 -14.084 1.00 2.38 C ATOM 93 ND1 HIS A 2 -1.696 4.241 -14.815 1.00 2.75 N ATOM 94 CD2 HIS A 2 -0.975 6.292 -14.979 1.00 3.17 C ATOM 95 CE1 HIS A 2 -1.735 4.567 -16.092 1.00 3.57 C ATOM 96 NE2 HIS A 2 -1.304 5.805 -16.217 1.00 3.83 N ATOM 0 H HIS A 2 -2.862 7.009 -12.281 1.00 1.52 H new ATOM 0 HA HIS A 2 -2.859 4.126 -12.294 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -0.657 6.220 -12.256 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -0.354 4.496 -12.329 1.00 1.86 H new ATOM 0 HD1 HIS A 2 -1.974 3.339 -14.428 1.00 2.75 H new ATOM 0 HD2 HIS A 2 -0.591 7.277 -14.759 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -2.064 3.928 -16.898 1.00 3.57 H new ATOM 105 N PHE A 3 -3.186 4.335 -9.684 1.00 1.08 N ATOM 106 CA PHE A 3 -3.126 3.974 -8.271 1.00 0.89 C ATOM 107 C PHE A 3 -2.435 5.061 -7.460 1.00 0.90 C ATOM 108 O PHE A 3 -1.437 4.808 -6.785 1.00 1.22 O ATOM 109 CB PHE A 3 -2.398 2.634 -8.092 1.00 0.94 C ATOM 110 CG PHE A 3 -2.928 1.554 -8.990 1.00 0.86 C ATOM 111 CD1 PHE A 3 -4.234 1.108 -8.867 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.121 0.989 -9.966 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.723 0.122 -9.699 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.605 0.001 -10.799 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.910 -0.433 -10.666 1.00 0.96 C ATOM 0 H PHE A 3 -4.121 4.260 -10.085 1.00 1.08 H new ATOM 0 HA PHE A 3 -4.147 3.872 -7.904 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.335 2.775 -8.290 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -2.489 2.313 -7.054 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.876 1.537 -8.112 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.101 1.326 -10.076 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.743 -0.216 -9.593 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -1.965 -0.432 -11.553 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.293 -1.205 -11.317 1.00 0.96 H new ATOM 125 N THR A 4 -2.964 6.274 -7.520 1.00 0.74 N ATOM 126 CA THR A 4 -2.374 7.404 -6.842 1.00 0.76 C ATOM 127 C THR A 4 -2.885 7.504 -5.414 1.00 0.71 C ATOM 128 O THR A 4 -3.835 6.809 -5.034 1.00 0.76 O ATOM 129 CB THR A 4 -2.670 8.714 -7.594 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.080 8.844 -7.810 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.947 8.750 -8.932 1.00 0.96 C ATOM 0 H THR A 4 -3.813 6.496 -8.041 1.00 0.74 H new ATOM 0 HA THR A 4 -1.295 7.249 -6.821 1.00 0.76 H new ATOM 0 HB THR A 4 -2.313 9.544 -6.984 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.262 9.680 -8.287 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.173 9.686 -9.443 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.872 8.677 -8.767 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.277 7.912 -9.547 1.00 0.96 H new ATOM 139 N LEU A 5 -2.263 8.354 -4.624 1.00 0.74 N ATOM 140 CA LEU A 5 -2.628 8.491 -3.226 1.00 0.77 C ATOM 141 C LEU A 5 -3.976 9.175 -3.038 1.00 0.67 C ATOM 142 O LEU A 5 -4.757 8.755 -2.190 1.00 0.73 O ATOM 143 CB LEU A 5 -1.563 9.280 -2.468 1.00 0.91 C ATOM 144 CG LEU A 5 -0.149 8.708 -2.526 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.781 9.533 -1.657 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.135 7.249 -2.092 1.00 1.67 C ATOM 0 H LEU A 5 -1.501 8.962 -4.925 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.702 7.479 -2.827 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.541 10.296 -2.862 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.864 9.350 -1.423 1.00 0.91 H new ATOM 0 HG LEU A 5 0.201 8.754 -3.557 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.788 9.117 -1.705 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.796 10.562 -2.015 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.429 9.513 -0.626 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.884 6.864 -2.142 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.503 7.170 -1.069 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.776 6.666 -2.754 1.00 1.67 H new ATOM 158 N GLU A 6 -4.284 10.175 -3.866 1.00 0.60 N ATOM 159 CA GLU A 6 -5.639 10.720 -3.917 1.00 0.58 C ATOM 160 C GLU A 6 -6.574 9.612 -4.366 1.00 0.59 C ATOM 161 O GLU A 6 -7.613 9.425 -3.732 1.00 0.61 O ATOM 162 CB GLU A 6 -5.721 11.912 -4.870 1.00 0.62 C ATOM 163 CG GLU A 6 -4.909 13.108 -4.408 1.00 0.87 C ATOM 164 CD GLU A 6 -5.003 14.278 -5.360 1.00 1.35 C ATOM 165 OE1 GLU A 6 -5.980 15.046 -5.269 1.00 1.68 O ATOM 166 OE2 GLU A 6 -4.097 14.438 -6.209 1.00 1.80 O ATOM 0 H GLU A 6 -3.622 10.618 -4.503 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.927 11.081 -2.929 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.373 11.604 -5.856 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.764 12.210 -4.979 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.255 13.418 -3.422 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.865 12.814 -4.302 1.00 0.87 H new ATOM 173 N SER A 7 -6.257 8.880 -5.426 1.00 0.59 N ATOM 174 CA SER A 7 -7.110 7.787 -5.886 1.00 0.63 C ATOM 175 C SER A 7 -7.450 6.809 -4.754 1.00 0.62 C ATOM 176 O SER A 7 -8.469 6.115 -4.817 1.00 0.78 O ATOM 177 CB SER A 7 -6.429 7.042 -7.039 1.00 0.67 C ATOM 178 OG SER A 7 -7.263 6.031 -7.585 1.00 1.14 O ATOM 0 H SER A 7 -5.416 9.022 -5.985 1.00 0.59 H new ATOM 0 HA SER A 7 -8.046 8.223 -6.235 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.161 7.752 -7.821 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.501 6.594 -6.683 1.00 0.67 H new ATOM 0 HG SER A 7 -6.794 5.580 -8.318 1.00 1.14 H new ATOM 184 N SER A 8 -6.623 6.757 -3.714 1.00 0.53 N ATOM 185 CA SER A 8 -6.830 5.818 -2.634 1.00 0.52 C ATOM 186 C SER A 8 -7.492 6.407 -1.378 1.00 0.48 C ATOM 187 O SER A 8 -7.936 5.651 -0.525 1.00 0.48 O ATOM 188 CB SER A 8 -5.527 5.120 -2.277 1.00 0.57 C ATOM 189 OG SER A 8 -4.951 4.513 -3.426 1.00 1.02 O ATOM 0 H SER A 8 -5.806 7.357 -3.603 1.00 0.53 H new ATOM 0 HA SER A 8 -7.548 5.094 -3.019 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.828 5.840 -1.851 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.711 4.364 -1.514 1.00 0.57 H new ATOM 0 HG SER A 8 -5.339 3.622 -3.555 1.00 1.02 H new ATOM 195 N LEU A 9 -7.499 7.737 -1.226 1.00 0.47 N ATOM 196 CA LEU A 9 -7.793 8.366 0.065 1.00 0.46 C ATOM 197 C LEU A 9 -9.118 7.991 0.719 1.00 0.46 C ATOM 198 O LEU A 9 -9.257 7.986 1.940 1.00 0.42 O ATOM 199 CB LEU A 9 -7.681 9.868 -0.062 1.00 0.49 C ATOM 200 CG LEU A 9 -6.284 10.353 -0.391 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.329 11.807 -0.764 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.335 10.101 0.776 1.00 0.78 C ATOM 0 H LEU A 9 -7.305 8.396 -1.980 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.041 7.963 0.743 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.366 10.209 -0.838 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -8.004 10.327 0.872 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.901 9.792 -1.244 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.323 12.153 -1.000 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.972 11.940 -1.634 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.725 12.385 0.071 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.338 10.457 0.517 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.693 10.633 1.657 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.295 9.033 0.988 1.00 0.78 H new ATOM 214 N ASP A 10 -10.095 7.716 -0.134 1.00 0.51 N ATOM 215 CA ASP A 10 -11.405 7.268 0.329 1.00 0.53 C ATOM 216 C ASP A 10 -11.527 5.765 0.183 1.00 0.54 C ATOM 217 O ASP A 10 -12.535 5.173 0.563 1.00 0.57 O ATOM 218 CB ASP A 10 -12.532 7.952 -0.459 1.00 0.57 C ATOM 219 CG ASP A 10 -12.557 9.458 -0.273 1.00 0.78 C ATOM 220 OD1 ASP A 10 -13.214 9.942 0.676 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.928 10.172 -1.080 1.00 1.32 O ATOM 0 H ASP A 10 -10.008 7.794 -1.147 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.499 7.540 1.380 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.417 7.724 -1.519 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.490 7.537 -0.146 1.00 0.57 H new ATOM 226 N THR A 11 -10.492 5.145 -0.353 1.00 0.54 N ATOM 227 CA THR A 11 -10.519 3.723 -0.603 1.00 0.56 C ATOM 228 C THR A 11 -9.391 2.988 0.133 1.00 0.53 C ATOM 229 O THR A 11 -9.478 2.734 1.333 1.00 0.53 O ATOM 230 CB THR A 11 -10.454 3.410 -2.115 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.323 4.062 -2.718 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.731 3.856 -2.818 1.00 0.69 C ATOM 0 H THR A 11 -9.624 5.607 -0.622 1.00 0.54 H new ATOM 0 HA THR A 11 -11.470 3.361 -0.214 1.00 0.56 H new ATOM 0 HB THR A 11 -10.348 2.331 -2.226 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.634 4.689 -3.404 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.661 3.625 -3.881 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.585 3.332 -2.388 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.862 4.930 -2.688 1.00 0.69 H new ATOM 240 N HIS A 12 -8.338 2.656 -0.608 1.00 0.51 N ATOM 241 CA HIS A 12 -7.219 1.892 -0.051 1.00 0.49 C ATOM 242 C HIS A 12 -6.578 2.619 1.133 1.00 0.43 C ATOM 243 O HIS A 12 -6.218 1.992 2.126 1.00 0.43 O ATOM 244 CB HIS A 12 -6.151 1.598 -1.117 1.00 0.49 C ATOM 245 CG HIS A 12 -6.702 1.226 -2.458 1.00 0.57 C ATOM 246 ND1 HIS A 12 -6.281 1.807 -3.635 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.638 0.317 -2.805 1.00 0.90 C ATOM 248 CE1 HIS A 12 -6.936 1.266 -4.646 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.767 0.358 -4.170 1.00 0.66 N ATOM 0 H HIS A 12 -8.233 2.901 -1.592 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.630 0.946 0.301 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.516 2.477 -1.230 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.514 0.788 -0.762 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -8.185 -0.325 -2.131 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -6.812 1.523 -5.688 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.400 -0.218 -4.725 1.00 0.66 H new ATOM 258 N LEU A 13 -6.428 3.934 1.031 1.00 0.40 N ATOM 259 CA LEU A 13 -5.645 4.678 2.007 1.00 0.36 C ATOM 260 C LEU A 13 -6.515 5.507 2.950 1.00 0.34 C ATOM 261 O LEU A 13 -6.065 6.483 3.546 1.00 0.32 O ATOM 262 CB LEU A 13 -4.629 5.590 1.303 1.00 0.34 C ATOM 263 CG LEU A 13 -3.259 4.957 1.001 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.615 4.435 2.273 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.372 3.835 -0.022 1.00 0.84 C ATOM 0 H LEU A 13 -6.835 4.503 0.288 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.118 3.939 2.611 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.065 5.932 0.364 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.472 6.473 1.922 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.628 5.739 0.578 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.648 3.992 2.036 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.475 5.258 2.974 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.259 3.680 2.724 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.385 3.413 -0.209 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.032 3.057 0.362 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.780 4.230 -0.952 1.00 0.84 H new ATOM 277 N LYS A 14 -7.771 5.087 3.074 1.00 0.38 N ATOM 278 CA LYS A 14 -8.755 5.814 3.863 1.00 0.38 C ATOM 279 C LYS A 14 -8.478 5.713 5.358 1.00 0.35 C ATOM 280 O LYS A 14 -9.005 6.485 6.152 1.00 0.36 O ATOM 281 CB LYS A 14 -10.173 5.332 3.554 1.00 0.45 C ATOM 282 CG LYS A 14 -10.441 3.875 3.894 1.00 0.64 C ATOM 283 CD LYS A 14 -11.883 3.506 3.582 1.00 0.67 C ATOM 284 CE LYS A 14 -12.131 2.012 3.700 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.550 1.663 3.422 1.00 1.69 N ATOM 0 H LYS A 14 -8.131 4.240 2.634 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.672 6.864 3.581 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.880 5.954 4.102 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.370 5.485 2.493 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.766 3.234 3.327 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.236 3.699 4.950 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.548 4.038 4.263 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.130 3.835 2.573 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -11.483 1.480 3.004 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.864 1.678 4.703 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.679 0.635 3.513 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.167 2.151 4.102 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.798 1.959 2.456 1.00 1.69 H new ATOM 299 N TRP A 15 -7.640 4.750 5.724 1.00 0.34 N ATOM 300 CA TRP A 15 -7.265 4.541 7.117 1.00 0.33 C ATOM 301 C TRP A 15 -6.267 5.604 7.566 1.00 0.29 C ATOM 302 O TRP A 15 -5.950 5.703 8.752 1.00 0.29 O ATOM 303 CB TRP A 15 -6.651 3.154 7.304 1.00 0.35 C ATOM 304 CG TRP A 15 -5.492 2.902 6.391 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.557 2.448 5.110 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.102 3.091 6.681 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.298 2.350 4.579 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.384 2.735 5.527 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.394 3.530 7.805 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.994 2.802 5.460 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.014 3.594 7.739 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.328 3.233 6.573 1.00 0.30 C ATOM 0 H TRP A 15 -7.205 4.098 5.071 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.166 4.617 7.725 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.323 3.044 8.338 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.416 2.397 7.129 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.469 2.201 4.587 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.076 2.041 3.633 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.915 3.814 8.707 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.463 2.524 4.562 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.456 3.928 8.601 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.250 3.296 6.553 1.00 0.30 H new ATOM 323 N LEU A 16 -5.775 6.398 6.623 1.00 0.28 N ATOM 324 CA LEU A 16 -4.942 7.531 6.965 1.00 0.26 C ATOM 325 C LEU A 16 -5.825 8.618 7.569 1.00 0.27 C ATOM 326 O LEU A 16 -6.980 8.805 7.182 1.00 0.31 O ATOM 327 CB LEU A 16 -4.210 8.087 5.729 1.00 0.25 C ATOM 328 CG LEU A 16 -3.143 7.180 5.090 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.676 7.771 3.770 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.944 6.991 6.009 1.00 0.30 C ATOM 0 H LEU A 16 -5.940 6.275 5.624 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.186 7.207 7.680 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.956 8.322 4.969 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.734 9.026 6.010 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.601 6.206 4.919 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.921 7.121 3.327 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.524 7.859 3.090 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.248 8.758 3.945 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.212 6.345 5.524 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.490 7.960 6.219 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.270 6.533 6.943 1.00 0.30 H new ATOM 342 N SER A 17 -5.251 9.313 8.525 1.00 0.27 N ATOM 343 CA SER A 17 -5.949 10.428 9.132 1.00 0.30 C ATOM 344 C SER A 17 -5.788 11.664 8.256 1.00 0.33 C ATOM 345 O SER A 17 -4.857 11.716 7.452 1.00 0.34 O ATOM 346 CB SER A 17 -5.428 10.667 10.548 1.00 0.31 C ATOM 347 OG SER A 17 -5.609 9.508 11.347 1.00 1.24 O ATOM 0 H SER A 17 -4.318 9.132 8.896 1.00 0.27 H new ATOM 0 HA SER A 17 -7.012 10.201 9.209 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.371 10.930 10.513 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.952 11.511 10.997 1.00 0.31 H new ATOM 0 HG SER A 17 -4.887 8.870 11.167 1.00 1.24 H new ATOM 353 N GLN A 18 -6.690 12.633 8.377 1.00 0.36 N ATOM 354 CA GLN A 18 -6.671 13.810 7.505 1.00 0.41 C ATOM 355 C GLN A 18 -5.290 14.454 7.497 1.00 0.41 C ATOM 356 O GLN A 18 -4.748 14.753 6.431 1.00 0.42 O ATOM 357 CB GLN A 18 -7.736 14.821 7.930 1.00 0.47 C ATOM 358 CG GLN A 18 -9.154 14.283 7.834 1.00 1.19 C ATOM 359 CD GLN A 18 -9.520 13.862 6.427 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.342 12.706 6.041 1.00 1.90 O ATOM 361 NE2 GLN A 18 -10.022 14.802 5.646 1.00 1.91 N ATOM 0 H GLN A 18 -7.442 12.630 9.066 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.901 13.482 6.491 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.542 15.131 8.957 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.650 15.711 7.307 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.262 13.430 8.505 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.853 15.047 8.175 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -10.153 15.747 6.006 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -10.278 14.582 4.683 1.00 1.91 H new ATOM 370 N GLU A 19 -4.726 14.653 8.685 1.00 0.41 N ATOM 371 CA GLU A 19 -3.419 15.253 8.821 1.00 0.42 C ATOM 372 C GLU A 19 -2.377 14.440 8.053 1.00 0.40 C ATOM 373 O GLU A 19 -1.446 15.006 7.481 1.00 0.42 O ATOM 374 CB GLU A 19 -3.076 15.337 10.298 1.00 0.41 C ATOM 375 CG GLU A 19 -4.125 16.068 11.122 1.00 1.18 C ATOM 376 CD GLU A 19 -3.819 16.059 12.603 1.00 1.79 C ATOM 377 OE1 GLU A 19 -4.131 15.050 13.269 1.00 2.49 O ATOM 378 OE2 GLU A 19 -3.261 17.057 13.107 1.00 2.01 O ATOM 0 H GLU A 19 -5.166 14.402 9.570 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.422 16.257 8.398 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.953 14.328 10.693 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -2.117 15.843 10.412 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -4.197 17.099 10.777 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -5.098 15.607 10.954 1.00 1.18 H new ATOM 385 N GLN A 20 -2.533 13.122 8.037 1.00 0.37 N ATOM 386 CA GLN A 20 -1.619 12.265 7.290 1.00 0.36 C ATOM 387 C GLN A 20 -1.885 12.424 5.798 1.00 0.38 C ATOM 388 O GLN A 20 -0.963 12.633 5.029 1.00 0.41 O ATOM 389 CB GLN A 20 -1.777 10.796 7.700 1.00 0.33 C ATOM 390 CG GLN A 20 -1.609 10.546 9.191 1.00 0.37 C ATOM 391 CD GLN A 20 -1.880 9.103 9.572 1.00 0.77 C ATOM 392 OE1 GLN A 20 -3.014 8.727 9.843 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.841 8.288 9.614 1.00 1.04 N ATOM 0 H GLN A 20 -3.277 12.626 8.528 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.596 12.566 7.516 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.763 10.448 7.393 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.045 10.198 7.157 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.595 10.813 9.489 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.286 11.198 9.744 1.00 0.37 H new ATOM 0 HE21 GLN A 20 0.089 8.635 9.382 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -0.969 7.311 9.879 1.00 1.04 H new ATOM 402 N LYS A 21 -3.150 12.342 5.397 1.00 0.38 N ATOM 403 CA LYS A 21 -3.523 12.493 3.987 1.00 0.42 C ATOM 404 C LYS A 21 -2.946 13.783 3.418 1.00 0.42 C ATOM 405 O LYS A 21 -2.284 13.780 2.383 1.00 0.43 O ATOM 406 CB LYS A 21 -5.044 12.514 3.826 1.00 0.47 C ATOM 407 CG LYS A 21 -5.736 11.230 4.244 1.00 0.56 C ATOM 408 CD LYS A 21 -7.235 11.336 4.039 1.00 0.54 C ATOM 409 CE LYS A 21 -7.948 10.049 4.406 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.425 10.215 4.384 1.00 0.95 N ATOM 0 H LYS A 21 -3.936 12.172 6.025 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.116 11.640 3.443 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.448 13.338 4.414 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.284 12.719 2.783 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.343 10.394 3.665 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.521 11.020 5.292 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.627 12.154 4.644 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.443 11.582 2.998 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.660 9.262 3.710 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.632 9.728 5.399 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.875 9.375 4.800 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.688 11.057 4.935 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.747 10.329 3.402 1.00 0.95 H new ATOM 424 N ASP A 22 -3.185 14.875 4.128 1.00 0.44 N ATOM 425 CA ASP A 22 -2.676 16.184 3.741 1.00 0.46 C ATOM 426 C ASP A 22 -1.154 16.206 3.793 1.00 0.46 C ATOM 427 O ASP A 22 -0.530 16.856 2.960 1.00 0.48 O ATOM 428 CB ASP A 22 -3.219 17.250 4.694 1.00 0.49 C ATOM 429 CG ASP A 22 -2.901 18.659 4.230 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.518 19.116 3.246 1.00 0.67 O ATOM 431 OD2 ASP A 22 -2.030 19.314 4.843 1.00 0.64 O ATOM 0 H ASP A 22 -3.736 14.880 4.987 1.00 0.44 H new ATOM 0 HA ASP A 22 -3.002 16.391 2.722 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.299 17.136 4.785 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.798 17.094 5.687 1.00 0.49 H new ATOM 436 N GLU A 23 -0.547 15.483 4.721 1.00 0.44 N ATOM 437 CA GLU A 23 0.883 15.326 4.722 1.00 0.45 C ATOM 438 C GLU A 23 1.353 14.662 3.428 1.00 0.42 C ATOM 439 O GLU A 23 2.233 15.194 2.751 1.00 0.44 O ATOM 440 CB GLU A 23 1.328 14.505 5.924 1.00 0.47 C ATOM 441 CG GLU A 23 2.727 14.857 6.335 1.00 0.71 C ATOM 442 CD GLU A 23 3.202 14.143 7.579 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.643 14.386 8.666 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.127 13.310 7.475 1.00 1.40 O ATOM 0 H GLU A 23 -1.029 15.000 5.479 1.00 0.44 H new ATOM 0 HA GLU A 23 1.334 16.316 4.788 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.647 14.678 6.758 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.274 13.443 5.683 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.405 14.624 5.514 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.786 15.933 6.501 1.00 0.71 H new ATOM 451 N LEU A 24 0.754 13.524 3.070 1.00 0.40 N ATOM 452 CA LEU A 24 1.134 12.781 1.876 1.00 0.39 C ATOM 453 C LEU A 24 0.915 13.637 0.623 1.00 0.39 C ATOM 454 O LEU A 24 1.696 13.580 -0.331 1.00 0.41 O ATOM 455 CB LEU A 24 0.304 11.486 1.782 1.00 0.38 C ATOM 456 CG LEU A 24 0.690 10.322 2.726 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.859 9.527 2.182 1.00 1.16 C ATOM 458 CD2 LEU A 24 1.027 10.792 4.121 1.00 1.33 C ATOM 0 H LEU A 24 -0.005 13.096 3.600 1.00 0.40 H new ATOM 0 HA LEU A 24 2.191 12.525 1.942 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.739 11.740 1.970 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.363 11.122 0.756 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.192 9.684 2.780 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.101 8.718 2.872 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.594 9.109 1.211 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.724 10.181 2.071 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.290 9.934 4.740 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.870 11.482 4.079 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.164 11.300 4.552 1.00 1.33 H new ATOM 470 N LEU A 25 -0.149 14.438 0.642 1.00 0.40 N ATOM 471 CA LEU A 25 -0.469 15.332 -0.463 1.00 0.43 C ATOM 472 C LEU A 25 0.578 16.434 -0.604 1.00 0.46 C ATOM 473 O LEU A 25 0.967 16.791 -1.718 1.00 0.48 O ATOM 474 CB LEU A 25 -1.857 15.945 -0.270 1.00 0.45 C ATOM 475 CG LEU A 25 -3.021 14.949 -0.293 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.348 15.677 -0.139 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.004 14.136 -1.578 1.00 1.06 C ATOM 0 H LEU A 25 -0.808 14.484 1.419 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.467 14.743 -1.380 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.873 16.475 0.682 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.020 16.688 -1.051 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.904 14.264 0.547 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.164 14.954 -0.158 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.360 16.214 0.809 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.472 16.385 -0.958 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.838 13.434 -1.576 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.095 14.805 -2.433 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.066 13.585 -1.647 1.00 1.06 H new ATOM 489 N LYS A 26 1.035 16.964 0.526 1.00 0.47 N ATOM 490 CA LYS A 26 2.058 18.006 0.528 1.00 0.51 C ATOM 491 C LYS A 26 3.369 17.454 -0.004 1.00 0.49 C ATOM 492 O LYS A 26 4.054 18.107 -0.786 1.00 0.51 O ATOM 493 CB LYS A 26 2.264 18.569 1.941 1.00 0.56 C ATOM 494 CG LYS A 26 1.060 19.322 2.488 1.00 0.93 C ATOM 495 CD LYS A 26 0.786 20.607 1.717 1.00 1.62 C ATOM 496 CE LYS A 26 1.839 21.670 1.996 1.00 2.50 C ATOM 497 NZ LYS A 26 1.876 22.055 3.431 1.00 3.24 N ATOM 0 H LYS A 26 0.713 16.689 1.454 1.00 0.47 H new ATOM 0 HA LYS A 26 1.720 18.815 -0.120 1.00 0.51 H new ATOM 0 HB2 LYS A 26 2.504 17.748 2.617 1.00 0.56 H new ATOM 0 HB3 LYS A 26 3.125 19.237 1.933 1.00 0.56 H new ATOM 0 HG2 LYS A 26 0.181 18.679 2.444 1.00 0.93 H new ATOM 0 HG3 LYS A 26 1.229 19.559 3.538 1.00 0.93 H new ATOM 0 HD2 LYS A 26 0.761 20.392 0.649 1.00 1.62 H new ATOM 0 HD3 LYS A 26 -0.198 20.990 1.988 1.00 1.62 H new ATOM 0 HE2 LYS A 26 2.818 21.298 1.695 1.00 2.50 H new ATOM 0 HE3 LYS A 26 1.633 22.552 1.389 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 2.351 22.975 3.532 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 0.905 22.125 3.797 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 2.398 21.335 3.970 1.00 3.24 H new ATOM 511 N MET A 27 3.701 16.243 0.421 1.00 0.47 N ATOM 512 CA MET A 27 4.909 15.571 -0.040 1.00 0.47 C ATOM 513 C MET A 27 4.979 15.505 -1.565 1.00 0.47 C ATOM 514 O MET A 27 5.958 15.945 -2.168 1.00 0.49 O ATOM 515 CB MET A 27 4.980 14.159 0.542 1.00 0.49 C ATOM 516 CG MET A 27 4.940 14.108 2.063 1.00 0.50 C ATOM 517 SD MET A 27 4.979 12.424 2.701 1.00 0.92 S ATOM 518 CE MET A 27 6.517 11.837 1.997 1.00 0.79 C ATOM 0 H MET A 27 3.148 15.703 1.087 1.00 0.47 H new ATOM 0 HA MET A 27 5.761 16.155 0.308 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.149 13.574 0.148 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.898 13.682 0.198 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.787 14.664 2.464 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.037 14.605 2.416 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.885 10.993 2.580 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.349 11.521 0.967 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.255 12.639 2.014 1.00 0.79 H new ATOM 528 N LYS A 28 3.927 14.981 -2.184 1.00 0.45 N ATOM 529 CA LYS A 28 3.865 14.894 -3.643 1.00 0.49 C ATOM 530 C LYS A 28 3.995 16.271 -4.304 1.00 0.54 C ATOM 531 O LYS A 28 4.672 16.419 -5.321 1.00 0.58 O ATOM 532 CB LYS A 28 2.567 14.218 -4.094 1.00 0.50 C ATOM 533 CG LYS A 28 2.400 14.210 -5.608 1.00 0.79 C ATOM 534 CD LYS A 28 1.403 13.162 -6.075 1.00 1.41 C ATOM 535 CE LYS A 28 1.984 11.759 -5.986 1.00 1.82 C ATOM 536 NZ LYS A 28 1.078 10.745 -6.589 1.00 2.44 N ATOM 0 H LYS A 28 3.107 14.611 -1.703 1.00 0.45 H new ATOM 0 HA LYS A 28 4.712 14.287 -3.962 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.550 13.192 -3.726 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.719 14.733 -3.642 1.00 0.50 H new ATOM 0 HG2 LYS A 28 2.070 15.195 -5.940 1.00 0.79 H new ATOM 0 HG3 LYS A 28 3.366 14.023 -6.076 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.500 13.222 -5.468 1.00 1.41 H new ATOM 0 HD3 LYS A 28 1.110 13.371 -7.104 1.00 1.41 H new ATOM 0 HE2 LYS A 28 2.948 11.732 -6.494 1.00 1.82 H new ATOM 0 HE3 LYS A 28 2.167 11.507 -4.941 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.510 9.802 -6.508 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 0.166 10.752 -6.088 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 0.924 10.970 -7.592 1.00 2.44 H new ATOM 550 N LYS A 29 3.357 17.276 -3.713 1.00 0.55 N ATOM 551 CA LYS A 29 3.357 18.620 -4.285 1.00 0.62 C ATOM 552 C LYS A 29 4.699 19.326 -4.112 1.00 0.64 C ATOM 553 O LYS A 29 5.094 20.123 -4.965 1.00 0.72 O ATOM 554 CB LYS A 29 2.231 19.466 -3.683 1.00 0.62 C ATOM 555 CG LYS A 29 0.841 19.029 -4.117 1.00 1.13 C ATOM 556 CD LYS A 29 0.645 19.184 -5.619 1.00 1.57 C ATOM 557 CE LYS A 29 -0.727 18.700 -6.065 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.828 19.487 -5.449 1.00 2.69 N ATOM 0 H LYS A 29 2.835 17.187 -2.841 1.00 0.55 H new ATOM 0 HA LYS A 29 3.185 18.507 -5.355 1.00 0.62 H new ATOM 0 HB2 LYS A 29 2.294 19.419 -2.596 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.380 20.508 -3.966 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.682 17.988 -3.835 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.092 19.620 -3.589 1.00 1.13 H new ATOM 0 HD2 LYS A 29 0.768 20.231 -5.895 1.00 1.57 H new ATOM 0 HD3 LYS A 29 1.417 18.623 -6.146 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.799 18.766 -7.151 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.843 17.649 -5.802 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.734 19.215 -5.882 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.861 19.297 -4.427 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.660 20.501 -5.607 1.00 2.69 H new ATOM 572 N ASP A 30 5.402 19.039 -3.023 1.00 0.62 N ATOM 573 CA ASP A 30 6.703 19.665 -2.788 1.00 0.66 C ATOM 574 C ASP A 30 7.810 18.919 -3.518 1.00 0.65 C ATOM 575 O ASP A 30 8.985 19.273 -3.428 1.00 0.69 O ATOM 576 CB ASP A 30 7.039 19.746 -1.295 1.00 0.67 C ATOM 577 CG ASP A 30 6.294 20.848 -0.574 1.00 1.33 C ATOM 578 OD1 ASP A 30 6.606 22.035 -0.801 1.00 1.32 O ATOM 579 OD2 ASP A 30 5.373 20.536 0.210 1.00 2.14 O ATOM 0 H ASP A 30 5.102 18.388 -2.298 1.00 0.62 H new ATOM 0 HA ASP A 30 6.636 20.680 -3.179 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.806 18.791 -0.825 1.00 0.67 H new ATOM 0 HB3 ASP A 30 8.111 19.905 -1.179 1.00 0.67 H new ATOM 584 N GLY A 31 7.410 17.873 -4.224 1.00 0.62 N ATOM 585 CA GLY A 31 8.329 17.177 -5.095 1.00 0.62 C ATOM 586 C GLY A 31 9.091 16.096 -4.380 1.00 0.61 C ATOM 587 O GLY A 31 10.187 15.715 -4.794 1.00 0.63 O ATOM 0 H GLY A 31 6.463 17.494 -4.208 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.776 16.739 -5.926 1.00 0.62 H new ATOM 0 HA3 GLY A 31 9.033 17.892 -5.522 1.00 0.62 H new ATOM 591 N LYS A 32 8.526 15.617 -3.284 1.00 0.59 N ATOM 592 CA LYS A 32 9.059 14.454 -2.617 1.00 0.58 C ATOM 593 C LYS A 32 8.835 13.250 -3.509 1.00 0.56 C ATOM 594 O LYS A 32 7.786 13.125 -4.145 1.00 0.55 O ATOM 595 CB LYS A 32 8.404 14.253 -1.250 1.00 0.57 C ATOM 596 CG LYS A 32 8.635 15.412 -0.293 1.00 0.63 C ATOM 597 CD LYS A 32 10.118 15.645 -0.044 1.00 0.76 C ATOM 598 CE LYS A 32 10.351 16.856 0.840 1.00 1.15 C ATOM 599 NZ LYS A 32 11.795 17.069 1.120 1.00 1.65 N ATOM 0 H LYS A 32 7.699 16.019 -2.842 1.00 0.59 H new ATOM 0 HA LYS A 32 10.126 14.589 -2.440 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.332 14.112 -1.386 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.791 13.338 -0.801 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.187 16.318 -0.702 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.134 15.209 0.653 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.552 14.762 0.425 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.630 15.784 -0.996 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.940 17.743 0.357 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.814 16.728 1.780 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.911 17.906 1.727 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 12.182 16.234 1.604 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 12.304 17.217 0.225 1.00 1.65 H new ATOM 613 N ALA A 33 9.816 12.381 -3.553 1.00 0.56 N ATOM 614 CA ALA A 33 9.794 11.245 -4.460 1.00 0.55 C ATOM 615 C ALA A 33 8.668 10.288 -4.102 1.00 0.52 C ATOM 616 O ALA A 33 8.241 10.228 -2.949 1.00 0.50 O ATOM 617 CB ALA A 33 11.135 10.524 -4.456 1.00 0.59 C ATOM 0 H ALA A 33 10.650 12.435 -2.968 1.00 0.56 H new ATOM 0 HA ALA A 33 9.613 11.621 -5.467 1.00 0.55 H new ATOM 0 HB1 ALA A 33 11.095 9.678 -5.142 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.919 11.212 -4.774 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.352 10.166 -3.450 1.00 0.59 H new ATOM 623 N LYS A 34 8.182 9.550 -5.086 1.00 0.53 N ATOM 624 CA LYS A 34 7.132 8.568 -4.854 1.00 0.51 C ATOM 625 C LYS A 34 7.610 7.551 -3.815 1.00 0.51 C ATOM 626 O LYS A 34 6.837 7.111 -2.963 1.00 0.48 O ATOM 627 CB LYS A 34 6.758 7.894 -6.178 1.00 0.56 C ATOM 628 CG LYS A 34 5.374 7.259 -6.191 1.00 1.21 C ATOM 629 CD LYS A 34 5.387 5.840 -5.650 1.00 1.64 C ATOM 630 CE LYS A 34 6.089 4.883 -6.602 1.00 2.21 C ATOM 631 NZ LYS A 34 5.401 4.799 -7.916 1.00 2.97 N ATOM 0 H LYS A 34 8.497 9.611 -6.054 1.00 0.53 H new ATOM 0 HA LYS A 34 6.238 9.055 -4.464 1.00 0.51 H new ATOM 0 HB2 LYS A 34 6.813 8.634 -6.977 1.00 0.56 H new ATOM 0 HB3 LYS A 34 7.499 7.127 -6.403 1.00 0.56 H new ATOM 0 HG2 LYS A 34 4.692 7.866 -5.596 1.00 1.21 H new ATOM 0 HG3 LYS A 34 4.989 7.253 -7.211 1.00 1.21 H new ATOM 0 HD2 LYS A 34 5.888 5.824 -4.682 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.363 5.504 -5.485 1.00 1.64 H new ATOM 0 HE2 LYS A 34 7.118 5.211 -6.752 1.00 2.21 H new ATOM 0 HE3 LYS A 34 6.133 3.891 -6.152 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 5.670 3.915 -8.393 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 4.371 4.815 -7.770 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 5.679 5.609 -8.506 1.00 2.97 H new ATOM 645 N LYS A 35 8.892 7.206 -3.877 1.00 0.54 N ATOM 646 CA LYS A 35 9.508 6.318 -2.887 1.00 0.56 C ATOM 647 C LYS A 35 9.398 6.886 -1.466 1.00 0.53 C ATOM 648 O LYS A 35 9.465 6.139 -0.490 1.00 0.55 O ATOM 649 CB LYS A 35 10.980 6.078 -3.236 1.00 0.61 C ATOM 650 CG LYS A 35 11.187 5.460 -4.608 1.00 1.17 C ATOM 651 CD LYS A 35 10.588 4.069 -4.694 1.00 1.56 C ATOM 652 CE LYS A 35 10.456 3.603 -6.135 1.00 2.18 C ATOM 653 NZ LYS A 35 11.775 3.477 -6.804 1.00 2.82 N ATOM 0 H LYS A 35 9.530 7.528 -4.605 1.00 0.54 H new ATOM 0 HA LYS A 35 8.967 5.372 -2.913 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.515 7.027 -3.190 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.422 5.426 -2.483 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.734 6.099 -5.367 1.00 1.17 H new ATOM 0 HG3 LYS A 35 12.254 5.411 -4.828 1.00 1.17 H new ATOM 0 HD2 LYS A 35 11.213 3.368 -4.141 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.607 4.065 -4.219 1.00 1.56 H new ATOM 0 HE2 LYS A 35 9.944 2.641 -6.159 1.00 2.18 H new ATOM 0 HE3 LYS A 35 9.835 4.308 -6.688 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 11.642 3.109 -7.767 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 12.231 4.410 -6.850 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 12.377 2.824 -6.264 1.00 2.82 H new ATOM 667 N GLU A 36 9.201 8.198 -1.351 1.00 0.51 N ATOM 668 CA GLU A 36 9.093 8.836 -0.045 1.00 0.50 C ATOM 669 C GLU A 36 7.683 8.682 0.516 1.00 0.44 C ATOM 670 O GLU A 36 7.443 8.690 1.723 1.00 0.45 O ATOM 671 CB GLU A 36 9.470 10.312 -0.132 1.00 0.53 C ATOM 672 CG GLU A 36 10.876 10.532 -0.652 1.00 0.61 C ATOM 673 CD GLU A 36 11.346 11.962 -0.498 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.460 12.440 0.654 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.607 12.618 -1.528 1.00 0.66 O ATOM 0 H GLU A 36 9.114 8.835 -2.143 1.00 0.51 H new ATOM 0 HA GLU A 36 9.790 8.341 0.631 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.763 10.825 -0.784 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.378 10.764 0.856 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.561 9.871 -0.121 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.916 10.254 -1.705 1.00 0.61 H new ATOM 682 N LEU A 37 6.772 8.493 -0.429 1.00 0.39 N ATOM 683 CA LEU A 37 5.375 8.245 -0.111 1.00 0.36 C ATOM 684 C LEU A 37 5.181 6.790 0.282 1.00 0.36 C ATOM 685 O LEU A 37 4.479 6.477 1.244 1.00 0.35 O ATOM 686 CB LEU A 37 4.511 8.599 -1.315 1.00 0.37 C ATOM 687 CG LEU A 37 4.672 10.038 -1.805 1.00 0.41 C ATOM 688 CD1 LEU A 37 4.056 10.207 -3.177 1.00 1.22 C ATOM 689 CD2 LEU A 37 4.045 11.010 -0.820 1.00 1.01 C ATOM 0 H LEU A 37 6.979 8.507 -1.428 1.00 0.39 H new ATOM 0 HA LEU A 37 5.076 8.868 0.732 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.753 7.920 -2.133 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.465 8.430 -1.059 1.00 0.37 H new ATOM 0 HG LEU A 37 5.737 10.257 -1.877 1.00 0.41 H new ATOM 0 HD11 LEU A 37 4.181 11.238 -3.508 1.00 1.22 H new ATOM 0 HD12 LEU A 37 4.549 9.537 -3.882 1.00 1.22 H new ATOM 0 HD13 LEU A 37 2.994 9.967 -3.131 1.00 1.22 H new ATOM 0 HD21 LEU A 37 4.169 12.029 -1.186 1.00 1.01 H new ATOM 0 HD22 LEU A 37 2.983 10.789 -0.717 1.00 1.01 H new ATOM 0 HD23 LEU A 37 4.532 10.910 0.150 1.00 1.01 H new ATOM 701 N GLU A 38 5.847 5.911 -0.456 1.00 0.39 N ATOM 702 CA GLU A 38 5.867 4.488 -0.146 1.00 0.43 C ATOM 703 C GLU A 38 6.598 4.247 1.168 1.00 0.43 C ATOM 704 O GLU A 38 6.449 3.214 1.794 1.00 0.45 O ATOM 705 CB GLU A 38 6.528 3.711 -1.281 1.00 0.57 C ATOM 706 CG GLU A 38 5.807 3.867 -2.607 1.00 1.35 C ATOM 707 CD GLU A 38 6.545 3.210 -3.750 1.00 2.06 C ATOM 708 OE1 GLU A 38 7.693 3.614 -4.027 1.00 2.72 O ATOM 709 OE2 GLU A 38 5.981 2.296 -4.378 1.00 2.49 O ATOM 0 H GLU A 38 6.387 6.164 -1.284 1.00 0.39 H new ATOM 0 HA GLU A 38 4.841 4.135 -0.039 1.00 0.43 H new ATOM 0 HB2 GLU A 38 7.558 4.048 -1.393 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.565 2.654 -1.017 1.00 0.57 H new ATOM 0 HG2 GLU A 38 4.810 3.435 -2.527 1.00 1.35 H new ATOM 0 HG3 GLU A 38 5.678 4.927 -2.824 1.00 1.35 H new ATOM 716 N ALA A 39 7.358 5.236 1.593 1.00 0.43 N ATOM 717 CA ALA A 39 8.089 5.162 2.845 1.00 0.45 C ATOM 718 C ALA A 39 7.297 5.709 4.020 1.00 0.42 C ATOM 719 O ALA A 39 7.292 5.139 5.111 1.00 0.44 O ATOM 720 CB ALA A 39 9.416 5.894 2.725 1.00 0.49 C ATOM 0 H ALA A 39 7.487 6.110 1.084 1.00 0.43 H new ATOM 0 HA ALA A 39 8.269 4.105 3.044 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.953 5.830 3.671 1.00 0.49 H new ATOM 0 HB2 ALA A 39 10.014 5.437 1.937 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.233 6.941 2.481 1.00 0.49 H new ATOM 726 N LYS A 40 6.611 6.813 3.762 1.00 0.39 N ATOM 727 CA LYS A 40 5.732 7.434 4.735 1.00 0.37 C ATOM 728 C LYS A 40 4.604 6.484 5.127 1.00 0.31 C ATOM 729 O LYS A 40 4.373 6.235 6.312 1.00 0.31 O ATOM 730 CB LYS A 40 5.155 8.718 4.138 1.00 0.41 C ATOM 731 CG LYS A 40 4.326 9.523 5.114 1.00 0.79 C ATOM 732 CD LYS A 40 5.178 10.134 6.212 1.00 0.64 C ATOM 733 CE LYS A 40 6.026 11.284 5.693 1.00 0.74 C ATOM 734 NZ LYS A 40 6.471 12.182 6.788 1.00 1.34 N ATOM 0 H LYS A 40 6.650 7.303 2.868 1.00 0.39 H new ATOM 0 HA LYS A 40 6.303 7.670 5.633 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.974 9.338 3.772 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.539 8.463 3.276 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.802 10.315 4.578 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.565 8.882 5.559 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.534 10.491 7.016 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.826 9.368 6.639 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.897 10.886 5.173 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.453 11.857 4.964 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.353 12.658 6.510 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.736 12.894 6.973 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 6.636 11.623 7.650 1.00 1.34 H new ATOM 748 N ILE A 41 3.911 5.947 4.127 1.00 0.29 N ATOM 749 CA ILE A 41 2.799 5.046 4.361 1.00 0.26 C ATOM 750 C ILE A 41 3.249 3.764 5.048 1.00 0.27 C ATOM 751 O ILE A 41 2.590 3.293 5.970 1.00 0.27 O ATOM 752 CB ILE A 41 2.088 4.712 3.041 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.485 5.983 2.452 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.014 3.657 3.256 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.914 5.800 1.069 1.00 0.39 C ATOM 0 H ILE A 41 4.106 6.125 3.142 1.00 0.29 H new ATOM 0 HA ILE A 41 2.101 5.556 5.024 1.00 0.26 H new ATOM 0 HB ILE A 41 2.817 4.305 2.340 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.698 6.342 3.115 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.252 6.757 2.419 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.525 3.437 2.307 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.470 2.748 3.648 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.276 4.029 3.967 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.504 6.746 0.717 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.701 5.471 0.391 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.123 5.050 1.098 1.00 0.39 H new ATOM 767 N LEU A 42 4.376 3.205 4.615 1.00 0.31 N ATOM 768 CA LEU A 42 4.881 1.973 5.209 1.00 0.35 C ATOM 769 C LEU A 42 5.261 2.172 6.671 1.00 0.35 C ATOM 770 O LEU A 42 5.132 1.259 7.487 1.00 0.38 O ATOM 771 CB LEU A 42 6.098 1.440 4.449 1.00 0.39 C ATOM 772 CG LEU A 42 5.817 0.827 3.076 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.061 0.143 2.542 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.654 -0.154 3.135 1.00 0.40 C ATOM 0 H LEU A 42 4.951 3.582 3.862 1.00 0.31 H new ATOM 0 HA LEU A 42 4.072 1.246 5.145 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.808 2.257 4.321 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.586 0.687 5.068 1.00 0.39 H new ATOM 0 HG LEU A 42 5.538 1.633 2.398 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.847 -0.289 1.564 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.866 0.872 2.448 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.365 -0.647 3.229 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.480 -0.572 2.143 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.891 -0.958 3.831 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.757 0.365 3.473 1.00 0.40 H new ATOM 786 N HIS A 43 5.730 3.373 6.995 1.00 0.35 N ATOM 787 CA HIS A 43 5.990 3.724 8.383 1.00 0.37 C ATOM 788 C HIS A 43 4.682 3.722 9.174 1.00 0.35 C ATOM 789 O HIS A 43 4.600 3.110 10.235 1.00 0.40 O ATOM 790 CB HIS A 43 6.673 5.091 8.497 1.00 0.40 C ATOM 791 CG HIS A 43 7.109 5.422 9.895 1.00 0.49 C ATOM 792 ND1 HIS A 43 8.342 5.066 10.402 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.462 6.058 10.901 1.00 1.23 C ATOM 794 CE1 HIS A 43 8.433 5.469 11.656 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.306 6.073 11.981 1.00 0.92 N ATOM 0 H HIS A 43 5.935 4.111 6.322 1.00 0.35 H new ATOM 0 HA HIS A 43 6.667 2.977 8.799 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.541 5.112 7.838 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.988 5.862 8.145 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.467 6.475 10.860 1.00 1.23 H new ATOM 0 HE1 HIS A 43 9.285 5.328 12.305 1.00 0.93 H new ATOM 0 HE2 HIS A 43 7.096 6.485 12.890 1.00 0.92 H new ATOM 804 N TYR A 44 3.657 4.397 8.646 1.00 0.30 N ATOM 805 CA TYR A 44 2.346 4.429 9.290 1.00 0.30 C ATOM 806 C TYR A 44 1.794 3.017 9.434 1.00 0.32 C ATOM 807 O TYR A 44 1.271 2.639 10.480 1.00 0.40 O ATOM 808 CB TYR A 44 1.368 5.265 8.468 1.00 0.31 C ATOM 809 CG TYR A 44 1.736 6.723 8.388 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.405 7.347 9.430 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.425 7.471 7.265 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.751 8.678 9.356 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.766 8.800 7.178 1.00 0.50 C ATOM 814 CZ TYR A 44 2.401 9.413 8.257 1.00 0.58 C ATOM 815 OH TYR A 44 2.768 10.733 8.137 1.00 0.68 O ATOM 0 H TYR A 44 3.712 4.927 7.776 1.00 0.30 H new ATOM 0 HA TYR A 44 2.464 4.877 10.277 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.314 4.857 7.459 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.372 5.174 8.902 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.659 6.780 10.314 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.905 7.002 6.443 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.298 9.141 10.164 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.544 9.363 6.283 1.00 0.50 H new ATOM 0 HH TYR A 44 2.431 11.090 7.289 1.00 0.68 H new ATOM 825 N TYR A 45 1.935 2.265 8.356 1.00 0.30 N ATOM 826 CA TYR A 45 1.505 0.884 8.265 1.00 0.33 C ATOM 827 C TYR A 45 2.060 0.053 9.420 1.00 0.40 C ATOM 828 O TYR A 45 1.317 -0.629 10.127 1.00 0.42 O ATOM 829 CB TYR A 45 1.990 0.336 6.920 1.00 0.35 C ATOM 830 CG TYR A 45 1.561 -1.064 6.585 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.218 -1.359 6.426 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.484 -2.090 6.463 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.200 -2.640 6.154 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.074 -3.380 6.184 1.00 0.54 C ATOM 835 CZ TYR A 45 0.811 -3.644 5.903 1.00 0.53 C ATOM 836 OH TYR A 45 0.310 -4.931 5.769 1.00 0.58 O ATOM 0 H TYR A 45 2.364 2.610 7.497 1.00 0.30 H new ATOM 0 HA TYR A 45 0.418 0.827 8.331 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.638 1.001 6.131 1.00 0.35 H new ATOM 0 HB3 TYR A 45 3.079 0.374 6.906 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.514 -0.570 6.517 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.536 -1.879 6.587 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.251 -2.889 6.128 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.796 -4.183 6.196 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.331 -5.109 6.488 1.00 0.58 H new ATOM 846 N ASP A 46 3.359 0.136 9.636 1.00 0.43 N ATOM 847 CA ASP A 46 4.004 -0.692 10.645 1.00 0.51 C ATOM 848 C ASP A 46 3.685 -0.197 12.059 1.00 0.53 C ATOM 849 O ASP A 46 3.825 -0.942 13.029 1.00 0.60 O ATOM 850 CB ASP A 46 5.518 -0.740 10.414 1.00 0.58 C ATOM 851 CG ASP A 46 6.213 -1.787 11.263 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.243 -2.968 10.858 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.726 -1.430 12.348 1.00 1.14 O ATOM 0 H ASP A 46 3.987 0.762 9.132 1.00 0.43 H new ATOM 0 HA ASP A 46 3.608 -1.703 10.552 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.713 -0.945 9.361 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.945 0.239 10.632 1.00 0.58 H new ATOM 858 N GLU A 47 3.230 1.048 12.176 1.00 0.49 N ATOM 859 CA GLU A 47 2.915 1.638 13.471 1.00 0.51 C ATOM 860 C GLU A 47 1.439 1.453 13.824 1.00 0.49 C ATOM 861 O GLU A 47 0.950 2.022 14.804 1.00 0.58 O ATOM 862 CB GLU A 47 3.238 3.129 13.440 1.00 0.53 C ATOM 863 CG GLU A 47 4.716 3.432 13.287 1.00 1.21 C ATOM 864 CD GLU A 47 5.506 3.124 14.539 1.00 1.73 C ATOM 865 OE1 GLU A 47 5.627 4.019 15.400 1.00 2.21 O ATOM 866 OE2 GLU A 47 6.017 1.994 14.664 1.00 2.22 O ATOM 0 H GLU A 47 3.071 1.670 11.383 1.00 0.49 H new ATOM 0 HA GLU A 47 3.516 1.134 14.228 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.695 3.592 12.616 1.00 0.53 H new ATOM 0 HB3 GLU A 47 2.876 3.589 14.359 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.118 2.852 12.456 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.843 4.484 13.032 1.00 1.21 H new ATOM 873 N LEU A 48 0.722 0.676 13.014 1.00 0.44 N ATOM 874 CA LEU A 48 -0.708 0.498 13.177 1.00 0.46 C ATOM 875 C LEU A 48 -1.067 -0.336 14.409 1.00 0.69 C ATOM 876 O LEU A 48 -0.234 -0.611 15.274 1.00 1.11 O ATOM 877 CB LEU A 48 -1.271 -0.118 11.892 1.00 0.37 C ATOM 878 CG LEU A 48 -1.314 0.837 10.706 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.841 0.131 9.473 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.175 2.040 11.039 1.00 0.47 C ATOM 0 H LEU A 48 1.120 0.157 12.231 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.163 1.474 13.350 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.667 -0.985 11.624 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.280 -0.481 12.088 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.301 1.179 10.495 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.864 0.829 8.636 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.190 -0.708 9.228 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.849 -0.237 9.667 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.200 2.717 10.185 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.188 1.710 11.270 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.757 2.559 11.902 1.00 0.47 H new ATOM 892 N GLU A 49 -2.316 -0.756 14.444 1.00 0.61 N ATOM 893 CA GLU A 49 -2.914 -1.367 15.625 1.00 0.86 C ATOM 894 C GLU A 49 -3.593 -2.675 15.231 1.00 0.61 C ATOM 895 O GLU A 49 -3.452 -3.106 14.097 1.00 1.16 O ATOM 896 CB GLU A 49 -3.919 -0.408 16.268 1.00 1.42 C ATOM 897 CG GLU A 49 -3.339 0.963 16.569 1.00 1.33 C ATOM 898 CD GLU A 49 -4.263 1.827 17.399 1.00 2.01 C ATOM 899 OE1 GLU A 49 -5.229 2.381 16.840 1.00 2.83 O ATOM 900 OE2 GLU A 49 -4.023 1.954 18.615 1.00 2.19 O ATOM 0 H GLU A 49 -2.953 -0.685 13.651 1.00 0.61 H new ATOM 0 HA GLU A 49 -2.134 -1.579 16.356 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.776 -0.294 15.604 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.289 -0.849 17.194 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.392 0.843 17.096 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -3.120 1.473 15.631 1.00 1.33 H new ATOM 907 N GLY A 50 -4.334 -3.280 16.156 1.00 0.74 N ATOM 908 CA GLY A 50 -4.943 -4.585 15.905 1.00 0.61 C ATOM 909 C GLY A 50 -5.747 -4.653 14.613 1.00 0.54 C ATOM 910 O GLY A 50 -5.269 -5.166 13.596 1.00 0.54 O ATOM 0 H GLY A 50 -4.527 -2.892 17.079 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.158 -5.341 15.873 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.595 -4.837 16.741 1.00 0.61 H new ATOM 914 N ASP A 51 -6.962 -4.130 14.646 1.00 0.54 N ATOM 915 CA ASP A 51 -7.840 -4.138 13.478 1.00 0.52 C ATOM 916 C ASP A 51 -7.373 -3.100 12.468 1.00 0.46 C ATOM 917 O ASP A 51 -7.612 -3.248 11.273 1.00 0.46 O ATOM 918 CB ASP A 51 -9.280 -3.860 13.913 1.00 0.58 C ATOM 919 CG ASP A 51 -10.282 -4.014 12.791 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.610 -5.161 12.440 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.723 -2.985 12.239 1.00 2.37 O ATOM 0 H ASP A 51 -7.368 -3.691 15.472 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.802 -5.119 13.004 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.545 -4.539 14.724 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.343 -2.847 14.311 1.00 0.58 H new ATOM 926 N ALA A 52 -6.688 -2.064 12.945 1.00 0.43 N ATOM 927 CA ALA A 52 -6.186 -1.015 12.061 1.00 0.41 C ATOM 928 C ALA A 52 -5.217 -1.601 11.045 1.00 0.40 C ATOM 929 O ALA A 52 -5.317 -1.342 9.848 1.00 0.40 O ATOM 930 CB ALA A 52 -5.523 0.094 12.863 1.00 0.42 C ATOM 0 H ALA A 52 -6.469 -1.928 13.932 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.030 -0.582 11.523 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.157 0.864 12.185 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.249 0.530 13.549 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.688 -0.317 13.431 1.00 0.42 H new ATOM 936 N LYS A 53 -4.277 -2.402 11.546 1.00 0.40 N ATOM 937 CA LYS A 53 -3.279 -3.041 10.704 1.00 0.41 C ATOM 938 C LYS A 53 -3.960 -3.992 9.753 1.00 0.41 C ATOM 939 O LYS A 53 -3.738 -3.936 8.548 1.00 0.40 O ATOM 940 CB LYS A 53 -2.267 -3.805 11.553 1.00 0.47 C ATOM 941 CG LYS A 53 -1.123 -4.412 10.761 1.00 0.52 C ATOM 942 CD LYS A 53 -0.214 -3.348 10.173 1.00 0.94 C ATOM 943 CE LYS A 53 1.050 -3.952 9.585 1.00 0.83 C ATOM 944 NZ LYS A 53 1.833 -4.710 10.600 1.00 1.62 N ATOM 0 H LYS A 53 -4.190 -2.622 12.538 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.750 -2.271 10.142 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -1.856 -3.130 12.304 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.786 -4.600 12.089 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.542 -5.069 11.408 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -1.525 -5.030 9.958 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.750 -2.799 9.398 1.00 0.94 H new ATOM 0 HD3 LYS A 53 0.052 -2.628 10.947 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.785 -4.616 8.762 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.670 -3.159 9.168 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.823 -4.783 10.291 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.791 -4.213 11.513 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.432 -5.664 10.707 1.00 1.62 H new ATOM 958 N LYS A 54 -4.789 -4.861 10.317 1.00 0.44 N ATOM 959 CA LYS A 54 -5.542 -5.829 9.535 1.00 0.47 C ATOM 960 C LYS A 54 -6.304 -5.141 8.401 1.00 0.44 C ATOM 961 O LYS A 54 -6.228 -5.569 7.250 1.00 0.46 O ATOM 962 CB LYS A 54 -6.488 -6.611 10.447 1.00 0.52 C ATOM 963 CG LYS A 54 -7.954 -6.509 10.070 1.00 0.99 C ATOM 964 CD LYS A 54 -8.744 -7.626 10.710 1.00 0.97 C ATOM 965 CE LYS A 54 -10.154 -7.721 10.145 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.870 -6.419 10.195 1.00 2.49 N ATOM 0 H LYS A 54 -4.957 -4.914 11.322 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.845 -6.532 9.078 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.196 -7.661 10.437 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.363 -6.255 11.470 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.351 -5.545 10.389 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -8.061 -6.555 8.986 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.226 -8.572 10.554 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.795 -7.464 11.787 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.107 -8.068 9.113 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.719 -8.466 10.706 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.861 -6.578 10.468 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.414 -5.798 10.894 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.837 -5.969 9.258 1.00 2.49 H new ATOM 980 N GLU A 55 -7.001 -4.052 8.725 1.00 0.42 N ATOM 981 CA GLU A 55 -7.756 -3.312 7.732 1.00 0.41 C ATOM 982 C GLU A 55 -6.833 -2.677 6.717 1.00 0.39 C ATOM 983 O GLU A 55 -7.049 -2.840 5.519 1.00 0.41 O ATOM 984 CB GLU A 55 -8.614 -2.238 8.388 1.00 0.42 C ATOM 985 CG GLU A 55 -10.046 -2.652 8.616 1.00 0.89 C ATOM 986 CD GLU A 55 -10.998 -1.495 8.412 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.279 -0.776 9.396 1.00 2.27 O ATOM 988 OE2 GLU A 55 -11.489 -1.313 7.282 1.00 1.34 O ATOM 0 H GLU A 55 -7.054 -3.668 9.669 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.409 -4.020 7.221 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.168 -1.966 9.345 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.600 -1.344 7.764 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.305 -3.462 7.934 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.156 -3.041 9.628 1.00 0.89 H new ATOM 995 N ALA A 56 -5.812 -1.967 7.163 1.00 0.36 N ATOM 996 CA ALA A 56 -4.922 -1.313 6.223 1.00 0.34 C ATOM 997 C ALA A 56 -4.294 -2.349 5.307 1.00 0.36 C ATOM 998 O ALA A 56 -4.312 -2.205 4.091 1.00 0.37 O ATOM 999 CB ALA A 56 -3.862 -0.503 6.940 1.00 0.31 C ATOM 0 H ALA A 56 -5.582 -1.831 8.147 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.504 -0.616 5.619 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.211 -0.026 6.207 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.340 0.261 7.553 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.270 -1.161 7.577 1.00 0.31 H new ATOM 1005 N THR A 57 -3.755 -3.396 5.912 1.00 0.38 N ATOM 1006 CA THR A 57 -3.182 -4.510 5.178 1.00 0.41 C ATOM 1007 C THR A 57 -4.104 -5.013 4.068 1.00 0.44 C ATOM 1008 O THR A 57 -3.702 -5.161 2.920 1.00 0.45 O ATOM 1009 CB THR A 57 -2.877 -5.687 6.129 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.974 -5.271 7.160 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.285 -6.864 5.380 1.00 0.51 C ATOM 0 H THR A 57 -3.703 -3.496 6.926 1.00 0.38 H new ATOM 0 HA THR A 57 -2.263 -4.138 4.724 1.00 0.41 H new ATOM 0 HB THR A 57 -3.820 -6.003 6.576 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.460 -4.742 7.827 1.00 0.43 H new ATOM 0 HG21 THR A 57 -2.082 -7.675 6.079 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.991 -7.206 4.623 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.356 -6.559 4.899 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.370 -5.215 4.446 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.410 -5.659 3.522 1.00 0.49 C ATOM 1021 C GLU A 58 -6.721 -4.596 2.463 1.00 0.48 C ATOM 1022 O GLU A 58 -7.061 -4.931 1.324 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.679 -6.020 4.299 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.569 -7.309 5.090 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.881 -7.688 5.743 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.393 -6.900 6.564 1.00 1.71 O ATOM 1027 OE2 GLU A 58 -9.417 -8.766 5.417 1.00 1.37 O ATOM 0 H GLU A 58 -5.699 -5.075 5.401 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.040 -6.542 3.001 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.919 -5.205 4.982 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.510 -6.104 3.599 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.248 -8.114 4.429 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.801 -7.200 5.856 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.592 -3.323 2.821 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.929 -2.240 1.905 1.00 0.43 C ATOM 1036 C HIS A 59 -5.820 -2.057 0.883 1.00 0.42 C ATOM 1037 O HIS A 59 -6.076 -1.966 -0.320 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.182 -0.930 2.658 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.432 -0.935 3.486 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.615 -1.495 3.060 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.674 -0.465 4.732 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.526 -1.374 4.006 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.982 -0.753 5.033 1.00 0.57 N ATOM 0 H HIS A 59 -6.258 -3.017 3.735 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.850 -2.509 1.388 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.330 -0.725 3.306 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.239 -0.114 1.938 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.968 0.043 5.372 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.546 -1.725 3.949 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.455 -0.524 5.907 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.585 -1.997 1.366 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.436 -1.984 0.496 1.00 0.40 C ATOM 1054 C LEU A 60 -3.357 -3.273 -0.319 1.00 0.43 C ATOM 1055 O LEU A 60 -2.831 -3.274 -1.430 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.153 -1.767 1.296 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.947 -0.330 1.759 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.955 0.073 2.801 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.526 -0.109 2.256 1.00 0.59 C ATOM 0 H LEU A 60 -4.363 -1.957 2.361 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.547 -1.152 -0.199 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.166 -2.421 2.168 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.301 -2.067 0.686 1.00 0.39 H new ATOM 0 HG LEU A 60 -2.103 0.312 0.892 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.773 1.104 3.104 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.960 -0.012 2.387 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.864 -0.581 3.668 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.410 0.926 2.579 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.326 -0.776 3.095 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.178 -0.318 1.450 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.903 -4.369 0.223 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.987 -5.620 -0.522 1.00 0.50 C ATOM 1073 C LYS A 61 -4.826 -5.424 -1.767 1.00 0.53 C ATOM 1074 O LYS A 61 -4.391 -5.750 -2.867 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.606 -6.744 0.313 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.611 -7.571 1.107 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.292 -8.775 1.736 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.299 -9.689 2.432 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.936 -10.949 2.897 1.00 0.67 N ATOM 0 H LYS A 61 -4.288 -4.410 1.166 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.969 -5.906 -0.786 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.328 -6.309 1.004 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.160 -7.407 -0.351 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.804 -7.904 0.454 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.158 -6.956 1.885 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.038 -8.436 2.455 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.823 -9.335 0.966 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.483 -9.925 1.749 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.861 -9.168 3.283 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.225 -11.545 3.367 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.698 -10.725 3.568 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.332 -11.459 2.082 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.042 -4.913 -1.583 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.906 -4.605 -2.702 1.00 0.56 C ATOM 1095 C GLY A 62 -6.239 -3.670 -3.687 1.00 0.55 C ATOM 1096 O GLY A 62 -6.386 -3.825 -4.895 1.00 0.59 O ATOM 0 H GLY A 62 -6.443 -4.707 -0.668 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.186 -5.528 -3.210 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.827 -4.151 -2.336 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.494 -2.700 -3.164 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.720 -1.818 -4.014 1.00 0.49 C ATOM 1102 C GLY A 63 -3.735 -2.581 -4.877 1.00 0.49 C ATOM 1103 O GLY A 63 -3.707 -2.413 -6.095 1.00 0.50 O ATOM 0 H GLY A 63 -5.414 -2.511 -2.165 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.394 -1.246 -4.652 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.180 -1.100 -3.396 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.944 -3.439 -4.244 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.981 -4.268 -4.958 1.00 0.55 C ATOM 1109 C CYS A 64 -2.679 -5.283 -5.854 1.00 0.56 C ATOM 1110 O CYS A 64 -2.134 -5.703 -6.872 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.067 -4.991 -3.975 1.00 0.68 C ATOM 1112 SG CYS A 64 0.076 -3.895 -3.074 1.00 1.13 S ATOM 0 H CYS A 64 -2.951 -3.579 -3.234 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.383 -3.609 -5.587 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -1.681 -5.529 -3.253 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -0.486 -5.737 -4.518 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.887 -5.676 -5.471 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.683 -6.594 -6.269 1.00 0.67 C ATOM 1119 C ARG A 65 -5.031 -5.950 -7.600 1.00 0.65 C ATOM 1120 O ARG A 65 -4.937 -6.582 -8.649 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.962 -6.981 -5.521 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.823 -8.003 -6.251 1.00 0.86 C ATOM 1123 CD ARG A 65 -6.103 -9.330 -6.423 1.00 1.49 C ATOM 1124 NE ARG A 65 -5.655 -9.878 -5.146 1.00 2.07 N ATOM 1125 CZ ARG A 65 -5.244 -11.131 -4.970 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -5.264 -11.992 -5.980 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -4.825 -11.526 -3.775 1.00 3.80 N ATOM 0 H ARG A 65 -4.337 -5.371 -4.608 1.00 0.62 H new ATOM 0 HA ARG A 65 -4.101 -7.498 -6.450 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.692 -7.381 -4.544 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.554 -6.083 -5.345 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -7.748 -8.161 -5.696 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -7.101 -7.611 -7.229 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -6.768 -10.043 -6.910 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -5.244 -9.194 -7.081 1.00 1.49 H new ATOM 0 HE ARG A 65 -5.657 -9.259 -4.335 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -5.596 -11.694 -6.897 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -4.948 -12.951 -5.839 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -4.819 -10.870 -2.994 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -4.509 -12.486 -3.637 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.413 -4.681 -7.546 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.702 -3.921 -8.749 1.00 0.55 C ATOM 1143 C GLU A 66 -4.426 -3.728 -9.562 1.00 0.48 C ATOM 1144 O GLU A 66 -4.463 -3.660 -10.792 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.310 -2.562 -8.396 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.513 -2.645 -7.469 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.587 -3.575 -7.989 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -9.290 -3.203 -8.949 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.734 -4.684 -7.435 1.00 2.02 O ATOM 0 H GLU A 66 -5.529 -4.157 -6.678 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.425 -4.478 -9.345 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.545 -1.944 -7.927 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.607 -2.058 -9.316 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.187 -2.986 -6.487 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.934 -1.648 -7.336 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.297 -3.646 -8.861 1.00 0.47 N ATOM 1157 CA ILE A 67 -2.000 -3.535 -9.509 1.00 0.47 C ATOM 1158 C ILE A 67 -1.643 -4.834 -10.216 1.00 0.45 C ATOM 1159 O ILE A 67 -1.248 -4.817 -11.371 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.879 -3.169 -8.513 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.173 -1.806 -7.882 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.480 -3.161 -9.211 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.145 -1.368 -6.864 1.00 0.81 C ATOM 0 H ILE A 67 -3.259 -3.655 -7.842 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.080 -2.728 -10.238 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.846 -3.921 -7.725 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.231 -1.056 -8.671 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.152 -1.842 -7.403 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.257 -2.901 -8.492 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.683 -4.149 -9.623 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.471 -2.427 -10.017 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.423 -0.394 -6.462 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.102 -2.096 -6.054 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.833 -1.298 -7.341 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.799 -5.961 -9.532 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.531 -7.262 -10.140 1.00 0.80 C ATOM 1177 C LEU A 68 -2.534 -7.521 -11.262 1.00 0.82 C ATOM 1178 O LEU A 68 -2.253 -8.228 -12.230 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.600 -8.367 -9.086 1.00 1.12 C ATOM 1180 CG LEU A 68 -1.043 -9.717 -9.534 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.407 -9.567 -9.973 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.161 -10.738 -8.413 1.00 1.71 C ATOM 0 H LEU A 68 -2.108 -6.003 -8.561 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.526 -7.260 -10.561 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.054 -8.040 -8.201 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.640 -8.500 -8.787 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.627 -10.073 -10.383 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.793 -10.536 -10.290 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.465 -8.864 -10.804 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.003 -9.194 -9.140 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.760 -11.694 -8.748 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.599 -10.393 -7.546 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.209 -10.860 -8.141 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.680 -6.875 -11.125 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.696 -6.900 -12.166 1.00 1.24 C ATOM 1196 C LYS A 69 -4.211 -6.103 -13.383 1.00 1.20 C ATOM 1197 O LYS A 69 -4.768 -6.201 -14.481 1.00 1.61 O ATOM 1198 CB LYS A 69 -6.028 -6.355 -11.637 1.00 1.39 C ATOM 1199 CG LYS A 69 -7.241 -6.865 -12.397 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.543 -6.436 -11.735 1.00 1.50 C ATOM 1201 CE LYS A 69 -9.739 -7.133 -12.366 1.00 1.68 C ATOM 1202 NZ LYS A 69 -11.021 -6.762 -11.711 1.00 2.22 N ATOM 0 H LYS A 69 -3.931 -6.326 -10.303 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.865 -7.932 -12.475 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -6.129 -6.625 -10.586 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.010 -5.266 -11.687 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -7.213 -6.491 -13.420 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -7.203 -7.953 -12.454 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.505 -6.666 -10.670 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.660 -5.356 -11.824 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.788 -6.878 -13.425 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -9.601 -8.213 -12.304 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -11.806 -7.262 -12.176 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -10.987 -7.028 -10.706 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -11.168 -5.736 -11.792 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.148 -5.332 -13.171 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.527 -4.530 -14.212 1.00 1.16 C ATOM 1218 C HIS A 70 -1.298 -5.269 -14.741 1.00 0.91 C ATOM 1219 O HIS A 70 -1.178 -5.530 -15.935 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.136 -3.144 -13.664 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.520 -2.216 -14.674 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.088 -1.020 -15.037 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.369 -2.308 -15.381 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.320 -0.417 -15.926 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.268 -1.177 -16.155 1.00 1.74 N ATOM 0 H HIS A 70 -2.692 -5.248 -12.262 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.235 -4.378 -15.027 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.025 -2.669 -13.250 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.434 -3.279 -12.841 1.00 1.41 H new ATOM 0 HD1 HIS A 70 -2.968 -0.653 -14.675 1.00 1.59 H new ATOM 0 HD2 HIS A 70 0.340 -3.122 -15.344 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.520 0.538 -16.388 1.00 1.76 H new ATOM 1234 N VAL A 71 -0.378 -5.584 -13.813 1.00 0.76 N ATOM 1235 CA VAL A 71 0.902 -6.194 -14.141 1.00 0.69 C ATOM 1236 C VAL A 71 0.724 -7.528 -14.841 1.00 0.52 C ATOM 1237 O VAL A 71 1.158 -7.715 -15.975 1.00 0.59 O ATOM 1238 CB VAL A 71 1.760 -6.461 -12.878 1.00 0.81 C ATOM 1239 CG1 VAL A 71 3.217 -6.478 -13.232 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.520 -5.454 -11.775 1.00 1.46 C ATOM 0 H VAL A 71 -0.511 -5.419 -12.815 1.00 0.76 H new ATOM 0 HA VAL A 71 1.403 -5.480 -14.795 1.00 0.69 H new ATOM 0 HB VAL A 71 1.454 -7.436 -12.499 1.00 0.81 H new ATOM 0 HG11 VAL A 71 3.807 -6.667 -12.335 1.00 1.01 H new ATOM 0 HG12 VAL A 71 3.405 -7.265 -13.962 1.00 1.01 H new ATOM 0 HG13 VAL A 71 3.500 -5.515 -13.656 1.00 1.01 H new ATOM 0 HG21 VAL A 71 2.150 -5.695 -10.919 1.00 1.46 H new ATOM 0 HG22 VAL A 71 1.765 -4.455 -12.135 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.472 -5.485 -11.475 1.00 1.46 H new ATOM 1250 N VAL A 72 0.085 -8.455 -14.155 1.00 0.44 N ATOM 1251 CA VAL A 72 -0.008 -9.811 -14.637 1.00 0.46 C ATOM 1252 C VAL A 72 -1.294 -10.034 -15.428 1.00 0.47 C ATOM 1253 O VAL A 72 -1.442 -11.032 -16.139 1.00 0.64 O ATOM 1254 CB VAL A 72 0.081 -10.801 -13.461 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.289 -11.208 -12.942 1.00 0.74 C ATOM 1256 CG2 VAL A 72 0.907 -11.992 -13.852 1.00 0.80 C ATOM 0 H VAL A 72 -0.377 -8.289 -13.261 1.00 0.44 H new ATOM 0 HA VAL A 72 0.830 -9.987 -15.311 1.00 0.46 H new ATOM 0 HB VAL A 72 0.576 -10.294 -12.633 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -1.171 -11.907 -12.114 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.825 -10.324 -12.598 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.854 -11.686 -13.742 1.00 0.74 H new ATOM 0 HG21 VAL A 72 0.964 -12.686 -13.014 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.446 -12.490 -14.705 1.00 0.80 H new ATOM 0 HG23 VAL A 72 1.911 -11.666 -14.122 1.00 0.80 H new ATOM 1266 N GLY A 73 -2.221 -9.096 -15.288 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.489 -9.202 -15.962 1.00 0.48 C ATOM 1268 C GLY A 73 -4.473 -10.033 -15.176 1.00 0.50 C ATOM 1269 O GLY A 73 -4.125 -10.632 -14.158 1.00 0.55 O ATOM 0 H GLY A 73 -2.111 -8.260 -14.714 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.900 -8.205 -16.121 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.342 -9.647 -16.946 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.701 -10.084 -15.652 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.741 -10.865 -15.000 1.00 0.58 C ATOM 1275 C GLU A 74 -6.540 -12.351 -15.278 1.00 0.53 C ATOM 1276 O GLU A 74 -7.252 -13.196 -14.745 1.00 0.60 O ATOM 1277 CB GLU A 74 -8.115 -10.414 -15.482 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.378 -8.941 -15.231 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.718 -8.492 -15.763 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.785 -8.086 -16.938 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -10.709 -8.551 -15.008 1.00 2.10 O ATOM 0 H GLU A 74 -6.007 -9.592 -16.492 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.679 -10.704 -13.924 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.204 -10.616 -16.549 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.882 -11.005 -14.981 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.332 -8.745 -14.160 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -7.590 -8.350 -15.697 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.574 -12.643 -16.133 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.171 -14.006 -16.444 1.00 0.55 C ATOM 1290 C GLU A 75 -4.550 -14.694 -15.237 1.00 0.53 C ATOM 1291 O GLU A 75 -5.132 -15.612 -14.664 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.174 -13.980 -17.604 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.504 -15.314 -17.884 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.489 -15.212 -19.001 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -1.333 -14.833 -18.726 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -2.846 -15.493 -20.166 1.00 1.31 O ATOM 0 H GLU A 75 -5.041 -11.934 -16.636 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.058 -14.574 -16.726 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.692 -13.651 -18.505 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.405 -13.238 -17.389 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.013 -15.671 -16.979 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.261 -16.052 -18.148 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.376 -14.228 -14.838 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.601 -14.918 -13.834 1.00 0.51 C ATOM 1305 C LYS A 76 -3.120 -14.615 -12.444 1.00 0.55 C ATOM 1306 O LYS A 76 -3.088 -15.474 -11.568 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.131 -14.540 -13.956 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.505 -14.913 -15.296 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.499 -16.421 -15.526 1.00 1.43 C ATOM 1310 CE LYS A 76 0.450 -17.146 -14.580 1.00 0.71 C ATOM 1311 NZ LYS A 76 1.879 -16.895 -14.910 1.00 1.13 N ATOM 0 H LYS A 76 -2.945 -13.376 -15.197 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.701 -15.991 -13.999 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.029 -13.465 -13.805 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.573 -15.028 -13.157 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.055 -14.426 -16.101 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.517 -14.537 -15.336 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.508 -16.811 -15.394 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.210 -16.628 -16.556 1.00 1.43 H new ATOM 0 HE2 LYS A 76 0.254 -16.825 -13.557 1.00 0.71 H new ATOM 0 HE3 LYS A 76 0.253 -18.217 -14.622 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 2.484 -17.475 -14.294 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 2.055 -17.146 -15.904 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 2.098 -15.889 -14.763 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.606 -13.397 -12.241 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.192 -13.021 -10.964 1.00 0.64 C ATOM 1327 C ALA A 77 -5.405 -13.898 -10.673 1.00 0.65 C ATOM 1328 O ALA A 77 -5.735 -14.162 -9.518 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.575 -11.545 -10.965 1.00 0.68 C ATOM 0 H ALA A 77 -3.605 -12.656 -12.942 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.455 -13.175 -10.176 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.012 -11.282 -10.002 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.686 -10.939 -11.138 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.301 -11.358 -11.756 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.050 -14.364 -11.737 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.167 -15.285 -11.615 1.00 0.67 C ATOM 1337 C ALA A 78 -6.675 -16.630 -11.100 1.00 0.67 C ATOM 1338 O ALA A 78 -7.297 -17.242 -10.227 1.00 0.73 O ATOM 1339 CB ALA A 78 -7.854 -15.451 -12.961 1.00 0.66 C ATOM 0 H ALA A 78 -5.814 -14.115 -12.698 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.888 -14.881 -10.904 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.690 -16.143 -12.860 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.223 -14.484 -13.303 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.142 -15.845 -13.687 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.532 -17.059 -11.620 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.957 -18.346 -11.259 1.00 0.65 C ATOM 1347 C GLU A 79 -4.353 -18.305 -9.864 1.00 0.66 C ATOM 1348 O GLU A 79 -4.317 -19.312 -9.172 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.878 -18.754 -12.262 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.270 -18.530 -13.708 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.307 -19.180 -14.678 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.081 -19.008 -14.513 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -3.767 -19.853 -15.619 1.00 1.26 O ATOM 0 H GLU A 79 -4.983 -16.530 -12.297 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.763 -19.080 -11.274 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -2.968 -18.192 -12.051 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.642 -19.808 -12.119 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.271 -18.927 -13.875 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.314 -17.459 -13.907 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.912 -17.123 -9.442 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.360 -16.939 -8.112 1.00 0.70 C ATOM 1362 C LEU A 80 -4.469 -16.823 -7.073 1.00 0.74 C ATOM 1363 O LEU A 80 -4.291 -17.197 -5.913 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.474 -15.701 -8.105 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.309 -15.774 -9.092 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.655 -14.419 -9.259 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.301 -16.807 -8.632 1.00 0.98 C ATOM 0 H LEU A 80 -3.929 -16.276 -10.010 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.759 -17.810 -7.850 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.083 -14.828 -8.339 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.079 -15.554 -7.100 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.698 -16.076 -10.064 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.171 -14.498 -9.966 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.388 -13.705 -9.635 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.276 -14.077 -8.296 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.525 -16.851 -9.342 1.00 0.98 H new ATOM 0 HD22 LEU A 80 0.080 -16.531 -7.649 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.782 -17.784 -8.574 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.616 -16.307 -7.494 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.777 -16.239 -6.623 1.00 0.79 C ATOM 1381 C LYS A 81 -7.274 -17.655 -6.356 1.00 0.77 C ATOM 1382 O LYS A 81 -7.410 -18.072 -5.204 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.880 -15.385 -7.270 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.923 -14.835 -6.295 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.738 -15.936 -5.629 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.830 -15.369 -4.734 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.891 -14.675 -5.512 1.00 2.12 N ATOM 0 H LYS A 81 -5.765 -15.931 -8.430 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.504 -15.769 -5.678 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.414 -14.549 -7.791 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.389 -15.985 -8.024 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -8.422 -14.244 -5.528 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.595 -14.162 -6.828 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.188 -16.569 -6.394 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.077 -16.571 -5.038 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -11.277 -16.176 -4.153 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -10.388 -14.671 -4.023 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.699 -14.470 -4.890 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.514 -13.785 -5.895 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -12.203 -15.285 -6.295 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.508 -18.394 -7.437 1.00 0.75 N ATOM 1402 CA ASN A 82 -7.980 -19.769 -7.342 1.00 0.75 C ATOM 1403 C ASN A 82 -6.931 -20.626 -6.645 1.00 0.74 C ATOM 1404 O ASN A 82 -7.274 -21.475 -5.826 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.299 -20.311 -8.746 1.00 0.73 C ATOM 1406 CG ASN A 82 -8.997 -21.663 -8.756 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -8.762 -22.525 -7.909 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -9.874 -21.854 -9.729 1.00 1.54 N ATOM 0 H ASN A 82 -7.377 -18.060 -8.392 1.00 0.75 H new ATOM 0 HA ASN A 82 -8.895 -19.802 -6.751 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.927 -19.588 -9.267 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.370 -20.392 -9.310 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.380 -22.737 -9.794 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -10.044 -21.118 -10.414 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.657 -20.384 -6.940 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.583 -21.133 -6.307 1.00 0.72 C ATOM 1417 C LEU A 83 -4.673 -21.001 -4.793 1.00 0.74 C ATOM 1418 O LEU A 83 -4.582 -21.989 -4.066 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.225 -20.622 -6.792 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.320 -21.672 -7.442 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.078 -21.013 -8.023 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -1.930 -22.747 -6.441 1.00 1.37 C ATOM 0 H LEU A 83 -5.347 -19.679 -7.609 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.684 -22.184 -6.579 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.394 -19.819 -7.509 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.696 -20.187 -5.944 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.876 -22.147 -8.251 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.444 -21.772 -8.482 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.372 -20.282 -8.776 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.526 -20.512 -7.228 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.287 -23.481 -6.927 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.395 -22.291 -5.608 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -2.828 -23.241 -6.069 1.00 1.37 H new ATOM 1434 N LYS A 84 -4.905 -19.779 -4.332 1.00 0.76 N ATOM 1435 CA LYS A 84 -4.950 -19.492 -2.908 1.00 0.81 C ATOM 1436 C LYS A 84 -6.119 -20.225 -2.246 1.00 0.83 C ATOM 1437 O LYS A 84 -5.930 -20.928 -1.251 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.041 -17.979 -2.673 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.031 -17.571 -1.203 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.438 -17.386 -0.655 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.085 -16.123 -1.202 1.00 1.54 C ATOM 1442 NZ LYS A 84 -8.512 -16.013 -0.810 1.00 2.27 N ATOM 0 H LYS A 84 -5.066 -18.968 -4.929 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.029 -19.852 -2.450 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.206 -17.494 -3.179 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -5.955 -17.605 -3.136 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -4.511 -18.331 -0.619 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.472 -16.642 -1.088 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -7.048 -18.251 -0.915 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.403 -17.336 0.433 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.541 -15.251 -0.839 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -7.007 -16.117 -2.289 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -8.895 -15.107 -1.146 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -9.050 -16.795 -1.235 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -8.592 -16.060 0.226 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.314 -20.077 -2.812 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.509 -20.733 -2.275 1.00 0.91 C ATOM 1458 C ASP A 85 -8.465 -22.244 -2.475 1.00 0.90 C ATOM 1459 O ASP A 85 -9.171 -22.986 -1.794 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.773 -20.160 -2.924 1.00 0.98 C ATOM 1461 CG ASP A 85 -10.188 -18.834 -2.318 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -9.469 -17.834 -2.506 1.00 2.52 O ATOM 1463 OD2 ASP A 85 -11.245 -18.783 -1.649 1.00 1.48 O ATOM 0 H ASP A 85 -7.483 -19.509 -3.642 1.00 0.84 H new ATOM 0 HA ASP A 85 -8.532 -20.536 -1.203 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.601 -20.029 -3.992 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.588 -20.875 -2.817 1.00 0.98 H new ATOM 1468 N SER A 86 -7.634 -22.702 -3.400 1.00 0.86 N ATOM 1469 CA SER A 86 -7.451 -24.130 -3.621 1.00 0.90 C ATOM 1470 C SER A 86 -6.483 -24.702 -2.590 1.00 0.84 C ATOM 1471 O SER A 86 -6.336 -25.918 -2.462 1.00 0.96 O ATOM 1472 CB SER A 86 -6.926 -24.385 -5.037 1.00 0.97 C ATOM 1473 OG SER A 86 -6.813 -25.773 -5.311 1.00 1.52 O ATOM 0 H SER A 86 -7.075 -22.105 -4.010 1.00 0.86 H new ATOM 0 HA SER A 86 -8.415 -24.627 -3.511 1.00 0.90 H new ATOM 0 HB2 SER A 86 -7.596 -23.924 -5.763 1.00 0.97 H new ATOM 0 HB3 SER A 86 -5.952 -23.910 -5.156 1.00 0.97 H new ATOM 0 HG SER A 86 -6.654 -26.260 -4.475 1.00 1.52 H new ATOM 1479 N GLY A 87 -5.826 -23.816 -1.859 1.00 0.80 N ATOM 1480 CA GLY A 87 -4.939 -24.242 -0.802 1.00 0.88 C ATOM 1481 C GLY A 87 -3.491 -23.968 -1.120 1.00 0.82 C ATOM 1482 O GLY A 87 -2.624 -24.791 -0.831 1.00 0.92 O ATOM 0 H GLY A 87 -5.893 -22.805 -1.981 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.208 -23.731 0.122 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.074 -25.309 -0.627 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.223 -22.820 -1.720 1.00 0.76 N ATOM 1487 CA ALA A 88 -1.850 -22.400 -1.931 1.00 0.76 C ATOM 1488 C ALA A 88 -1.358 -21.716 -0.677 1.00 0.80 C ATOM 1489 O ALA A 88 -1.987 -20.795 -0.152 1.00 0.83 O ATOM 1490 CB ALA A 88 -1.748 -21.455 -3.112 1.00 0.76 C ATOM 0 H ALA A 88 -3.929 -22.170 -2.065 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.236 -23.274 -2.149 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -0.709 -21.155 -3.249 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.102 -21.958 -4.012 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.359 -20.572 -2.925 1.00 0.76 H new ATOM 1496 N SER A 89 -0.231 -22.201 -0.203 1.00 0.81 N ATOM 1497 CA SER A 89 0.435 -21.639 0.937 1.00 0.86 C ATOM 1498 C SER A 89 1.068 -20.297 0.577 1.00 0.78 C ATOM 1499 O SER A 89 1.178 -19.959 -0.612 1.00 0.77 O ATOM 1500 CB SER A 89 1.491 -22.624 1.416 1.00 0.93 C ATOM 1501 OG SER A 89 0.946 -23.928 1.528 1.00 1.60 O ATOM 0 H SER A 89 0.249 -23.005 -0.607 1.00 0.81 H new ATOM 0 HA SER A 89 -0.285 -21.460 1.736 1.00 0.86 H new ATOM 0 HB2 SER A 89 2.329 -22.633 0.719 1.00 0.93 H new ATOM 0 HB3 SER A 89 1.883 -22.304 2.382 1.00 0.93 H new ATOM 0 HG SER A 89 1.640 -24.547 1.836 1.00 1.60 H new ATOM 1507 N LYS A 90 1.490 -19.539 1.581 1.00 0.76 N ATOM 1508 CA LYS A 90 2.073 -18.221 1.352 1.00 0.74 C ATOM 1509 C LYS A 90 3.230 -18.308 0.358 1.00 0.69 C ATOM 1510 O LYS A 90 3.432 -17.409 -0.455 1.00 0.67 O ATOM 1511 CB LYS A 90 2.554 -17.602 2.671 1.00 0.81 C ATOM 1512 CG LYS A 90 3.657 -18.384 3.361 1.00 1.29 C ATOM 1513 CD LYS A 90 4.120 -17.691 4.631 1.00 1.77 C ATOM 1514 CE LYS A 90 5.399 -18.309 5.172 1.00 2.22 C ATOM 1515 NZ LYS A 90 5.228 -19.738 5.550 1.00 2.96 N ATOM 0 H LYS A 90 1.440 -19.813 2.562 1.00 0.76 H new ATOM 0 HA LYS A 90 1.299 -17.579 0.930 1.00 0.74 H new ATOM 0 HB2 LYS A 90 2.909 -16.590 2.476 1.00 0.81 H new ATOM 0 HB3 LYS A 90 1.705 -17.517 3.350 1.00 0.81 H new ATOM 0 HG2 LYS A 90 3.299 -19.385 3.601 1.00 1.29 H new ATOM 0 HG3 LYS A 90 4.501 -18.502 2.681 1.00 1.29 H new ATOM 0 HD2 LYS A 90 4.284 -16.632 4.429 1.00 1.77 H new ATOM 0 HD3 LYS A 90 3.337 -17.754 5.387 1.00 1.77 H new ATOM 0 HE2 LYS A 90 6.184 -18.227 4.420 1.00 2.22 H new ATOM 0 HE3 LYS A 90 5.731 -17.744 6.043 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 6.128 -20.111 5.912 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 4.499 -19.817 6.287 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 4.937 -20.286 4.715 1.00 2.96 H new ATOM 1529 N GLU A 91 3.954 -19.416 0.406 1.00 0.71 N ATOM 1530 CA GLU A 91 5.124 -19.609 -0.432 1.00 0.70 C ATOM 1531 C GLU A 91 4.754 -19.865 -1.897 1.00 0.67 C ATOM 1532 O GLU A 91 5.485 -19.452 -2.792 1.00 0.67 O ATOM 1533 CB GLU A 91 5.970 -20.751 0.122 1.00 0.73 C ATOM 1534 CG GLU A 91 6.570 -20.425 1.480 1.00 1.30 C ATOM 1535 CD GLU A 91 7.299 -21.592 2.098 1.00 1.74 C ATOM 1536 OE1 GLU A 91 6.639 -22.431 2.745 1.00 2.34 O ATOM 1537 OE2 GLU A 91 8.534 -21.678 1.940 1.00 2.10 O ATOM 0 H GLU A 91 3.748 -20.201 1.023 1.00 0.71 H new ATOM 0 HA GLU A 91 5.704 -18.687 -0.414 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.355 -21.647 0.206 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.772 -20.979 -0.581 1.00 0.73 H new ATOM 0 HG2 GLU A 91 7.260 -19.588 1.375 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.776 -20.102 2.154 1.00 1.30 H new ATOM 1544 N GLU A 92 3.648 -20.560 -2.147 1.00 0.66 N ATOM 1545 CA GLU A 92 3.181 -20.834 -3.489 1.00 0.65 C ATOM 1546 C GLU A 92 2.828 -19.524 -4.154 1.00 0.60 C ATOM 1547 O GLU A 92 3.049 -19.327 -5.335 1.00 0.57 O ATOM 1548 CB GLU A 92 1.946 -21.711 -3.427 1.00 0.69 C ATOM 1549 CG GLU A 92 2.125 -22.960 -2.591 1.00 0.74 C ATOM 1550 CD GLU A 92 3.120 -23.931 -3.194 1.00 1.06 C ATOM 1551 OE1 GLU A 92 2.706 -24.802 -3.991 1.00 1.10 O ATOM 1552 OE2 GLU A 92 4.320 -23.828 -2.883 1.00 1.45 O ATOM 0 H GLU A 92 3.052 -20.948 -1.416 1.00 0.66 H new ATOM 0 HA GLU A 92 3.959 -21.346 -4.055 1.00 0.65 H new ATOM 0 HB2 GLU A 92 1.119 -21.129 -3.021 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.666 -22.000 -4.440 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.458 -22.679 -1.592 1.00 0.74 H new ATOM 0 HG3 GLU A 92 1.162 -23.457 -2.478 1.00 0.74 H new ATOM 1559 N LEU A 93 2.300 -18.623 -3.354 1.00 0.61 N ATOM 1560 CA LEU A 93 2.078 -17.252 -3.803 1.00 0.60 C ATOM 1561 C LEU A 93 3.434 -16.580 -3.888 1.00 0.61 C ATOM 1562 O LEU A 93 3.676 -15.849 -4.834 1.00 0.64 O ATOM 1563 CB LEU A 93 1.120 -16.527 -2.854 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.375 -16.879 -3.008 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.038 -15.968 -4.031 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -0.584 -18.326 -3.421 1.00 1.07 C ATOM 0 H LEU A 93 2.015 -18.807 -2.392 1.00 0.61 H new ATOM 0 HA LEU A 93 1.604 -17.227 -4.784 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.421 -16.744 -1.829 1.00 0.64 H new ATOM 0 HB3 LEU A 93 1.238 -15.453 -3.000 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.833 -16.733 -2.030 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.091 -16.232 -4.125 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -0.952 -14.931 -3.705 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -0.547 -16.087 -4.997 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -1.651 -18.527 -3.517 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -0.094 -18.506 -4.378 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.157 -18.985 -2.665 1.00 1.07 H new ATOM 1578 N LYS A 94 4.333 -16.833 -2.966 1.00 0.61 N ATOM 1579 CA LYS A 94 5.594 -16.107 -2.907 1.00 0.61 C ATOM 1580 C LYS A 94 6.440 -16.394 -4.126 1.00 0.66 C ATOM 1581 O LYS A 94 7.038 -15.497 -4.718 1.00 0.72 O ATOM 1582 CB LYS A 94 6.354 -16.506 -1.643 1.00 0.64 C ATOM 1583 CG LYS A 94 7.745 -15.912 -1.509 1.00 0.69 C ATOM 1584 CD LYS A 94 8.417 -16.385 -0.228 1.00 1.16 C ATOM 1585 CE LYS A 94 9.887 -15.997 -0.180 1.00 1.38 C ATOM 1586 NZ LYS A 94 10.676 -16.680 -1.238 1.00 2.06 N ATOM 0 H LYS A 94 4.220 -17.540 -2.239 1.00 0.61 H new ATOM 0 HA LYS A 94 5.379 -15.039 -2.885 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.765 -16.209 -0.775 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.436 -17.593 -1.616 1.00 0.64 H new ATOM 0 HG2 LYS A 94 8.351 -16.197 -2.369 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.682 -14.824 -1.511 1.00 0.69 H new ATOM 0 HD2 LYS A 94 7.901 -15.957 0.632 1.00 1.16 H new ATOM 0 HD3 LYS A 94 8.325 -17.468 -0.149 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.981 -14.917 -0.297 1.00 1.38 H new ATOM 0 HE3 LYS A 94 10.297 -16.249 0.798 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 11.689 -16.611 -1.014 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 10.399 -17.681 -1.286 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 10.493 -16.226 -2.155 1.00 2.06 H new ATOM 1600 N ALA A 95 6.482 -17.652 -4.492 1.00 0.67 N ATOM 1601 CA ALA A 95 7.323 -18.083 -5.573 1.00 0.73 C ATOM 1602 C ALA A 95 6.614 -18.037 -6.917 1.00 0.73 C ATOM 1603 O ALA A 95 7.129 -17.466 -7.880 1.00 0.93 O ATOM 1604 CB ALA A 95 7.855 -19.479 -5.302 1.00 0.77 C ATOM 0 H ALA A 95 5.939 -18.396 -4.052 1.00 0.67 H new ATOM 0 HA ALA A 95 8.157 -17.383 -5.629 1.00 0.73 H new ATOM 0 HB1 ALA A 95 8.491 -19.793 -6.130 1.00 0.77 H new ATOM 0 HB2 ALA A 95 8.436 -19.474 -4.380 1.00 0.77 H new ATOM 0 HB3 ALA A 95 7.021 -20.173 -5.202 1.00 0.77 H new ATOM 1610 N LYS A 96 5.424 -18.642 -6.987 1.00 0.70 N ATOM 1611 CA LYS A 96 4.682 -18.678 -8.240 1.00 0.76 C ATOM 1612 C LYS A 96 4.273 -17.282 -8.729 1.00 0.58 C ATOM 1613 O LYS A 96 4.010 -17.078 -9.918 1.00 0.55 O ATOM 1614 CB LYS A 96 3.441 -19.549 -8.101 1.00 1.02 C ATOM 1615 CG LYS A 96 3.721 -21.043 -8.157 1.00 1.75 C ATOM 1616 CD LYS A 96 4.236 -21.462 -9.525 1.00 2.07 C ATOM 1617 CE LYS A 96 4.502 -22.956 -9.582 1.00 2.92 C ATOM 1618 NZ LYS A 96 4.954 -23.388 -10.931 1.00 3.11 N ATOM 0 H LYS A 96 4.965 -19.105 -6.203 1.00 0.70 H new ATOM 0 HA LYS A 96 5.355 -19.104 -8.984 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.952 -19.317 -7.155 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.739 -19.292 -8.894 1.00 1.02 H new ATOM 0 HG2 LYS A 96 4.455 -21.306 -7.395 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.809 -21.594 -7.926 1.00 1.75 H new ATOM 0 HD2 LYS A 96 3.507 -21.191 -10.289 1.00 2.07 H new ATOM 0 HD3 LYS A 96 5.153 -20.918 -9.753 1.00 2.07 H new ATOM 0 HE2 LYS A 96 5.260 -23.218 -8.844 1.00 2.92 H new ATOM 0 HE3 LYS A 96 3.595 -23.497 -9.313 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 5.125 -24.414 -10.928 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 4.220 -23.161 -11.632 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 5.834 -22.891 -11.178 1.00 3.11 H new ATOM 1632 N VAL A 97 4.238 -16.321 -7.798 1.00 0.62 N ATOM 1633 CA VAL A 97 4.012 -14.922 -8.138 1.00 0.57 C ATOM 1634 C VAL A 97 5.144 -14.416 -9.024 1.00 0.54 C ATOM 1635 O VAL A 97 4.927 -13.643 -9.959 1.00 0.59 O ATOM 1636 CB VAL A 97 3.893 -14.039 -6.880 1.00 0.60 C ATOM 1637 CG1 VAL A 97 5.208 -13.407 -6.554 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.833 -12.979 -7.067 1.00 0.93 C ATOM 0 H VAL A 97 4.365 -16.494 -6.801 1.00 0.62 H new ATOM 0 HA VAL A 97 3.067 -14.858 -8.677 1.00 0.57 H new ATOM 0 HB VAL A 97 3.598 -14.676 -6.046 1.00 0.60 H new ATOM 0 HG11 VAL A 97 5.103 -12.788 -5.663 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.950 -14.184 -6.370 1.00 0.97 H new ATOM 0 HG13 VAL A 97 5.531 -12.787 -7.390 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.767 -12.368 -6.167 1.00 0.93 H new ATOM 0 HG22 VAL A 97 3.096 -12.347 -7.916 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.871 -13.456 -7.254 1.00 0.93 H new ATOM 1648 N GLU A 98 6.347 -14.898 -8.749 1.00 0.53 N ATOM 1649 CA GLU A 98 7.528 -14.440 -9.446 1.00 0.57 C ATOM 1650 C GLU A 98 7.614 -15.047 -10.827 1.00 0.52 C ATOM 1651 O GLU A 98 8.147 -14.436 -11.734 1.00 0.53 O ATOM 1652 CB GLU A 98 8.775 -14.752 -8.634 1.00 0.68 C ATOM 1653 CG GLU A 98 8.921 -13.841 -7.432 1.00 0.81 C ATOM 1654 CD GLU A 98 9.243 -12.419 -7.835 1.00 1.31 C ATOM 1655 OE1 GLU A 98 10.358 -12.175 -8.346 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.381 -11.537 -7.664 1.00 2.03 O ATOM 0 H GLU A 98 6.526 -15.611 -8.042 1.00 0.53 H new ATOM 0 HA GLU A 98 7.458 -13.359 -9.566 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.738 -15.789 -8.299 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.654 -14.654 -9.270 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.997 -13.854 -6.853 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.709 -14.221 -6.782 1.00 0.81 H new ATOM 1663 N GLU A 99 7.062 -16.235 -10.996 1.00 0.49 N ATOM 1664 CA GLU A 99 6.982 -16.828 -12.324 1.00 0.49 C ATOM 1665 C GLU A 99 6.199 -15.907 -13.237 1.00 0.48 C ATOM 1666 O GLU A 99 6.556 -15.703 -14.397 1.00 0.51 O ATOM 1667 CB GLU A 99 6.316 -18.202 -12.269 1.00 0.52 C ATOM 1668 CG GLU A 99 7.165 -19.253 -11.584 1.00 0.91 C ATOM 1669 CD GLU A 99 8.488 -19.468 -12.289 1.00 1.68 C ATOM 1670 OE1 GLU A 99 8.532 -20.277 -13.240 1.00 1.82 O ATOM 1671 OE2 GLU A 99 9.492 -18.838 -11.891 1.00 2.48 O ATOM 0 H GLU A 99 6.668 -16.803 -10.246 1.00 0.49 H new ATOM 0 HA GLU A 99 7.992 -16.958 -12.712 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.364 -18.116 -11.745 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.092 -18.531 -13.284 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.349 -18.953 -10.552 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.617 -20.194 -11.549 1.00 0.91 H new ATOM 1678 N ALA A 100 5.157 -15.318 -12.681 1.00 0.49 N ATOM 1679 CA ALA A 100 4.305 -14.411 -13.418 1.00 0.55 C ATOM 1680 C ALA A 100 4.942 -13.023 -13.552 1.00 0.54 C ATOM 1681 O ALA A 100 4.930 -12.427 -14.628 1.00 0.58 O ATOM 1682 CB ALA A 100 2.955 -14.327 -12.731 1.00 0.63 C ATOM 0 H ALA A 100 4.880 -15.456 -11.709 1.00 0.49 H new ATOM 0 HA ALA A 100 4.172 -14.796 -14.429 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.308 -13.644 -13.282 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.499 -15.317 -12.703 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.087 -13.960 -11.713 1.00 0.63 H new ATOM 1688 N LEU A 101 5.500 -12.520 -12.455 1.00 0.51 N ATOM 1689 CA LEU A 101 6.131 -11.201 -12.436 1.00 0.53 C ATOM 1690 C LEU A 101 7.484 -11.205 -13.151 1.00 0.51 C ATOM 1691 O LEU A 101 8.054 -10.150 -13.428 1.00 0.53 O ATOM 1692 CB LEU A 101 6.295 -10.714 -10.997 1.00 0.53 C ATOM 1693 CG LEU A 101 4.988 -10.537 -10.219 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.275 -10.096 -8.793 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.078 -9.535 -10.913 1.00 1.28 C ATOM 0 H LEU A 101 5.529 -13.009 -11.560 1.00 0.51 H new ATOM 0 HA LEU A 101 5.477 -10.516 -12.975 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.927 -11.422 -10.460 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.824 -9.761 -11.010 1.00 0.53 H new ATOM 0 HG LEU A 101 4.476 -11.499 -10.189 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.336 -9.975 -8.254 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.885 -10.850 -8.295 1.00 1.40 H new ATOM 0 HD13 LEU A 101 5.811 -9.147 -8.807 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.156 -9.425 -10.343 1.00 1.28 H new ATOM 0 HD22 LEU A 101 4.581 -8.570 -10.978 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.844 -9.890 -11.917 1.00 1.28 H new ATOM 1707 N HIS A 102 8.018 -12.380 -13.431 1.00 0.51 N ATOM 1708 CA HIS A 102 9.180 -12.472 -14.300 1.00 0.53 C ATOM 1709 C HIS A 102 8.691 -12.492 -15.738 1.00 0.56 C ATOM 1710 O HIS A 102 9.217 -11.772 -16.584 1.00 0.57 O ATOM 1711 CB HIS A 102 10.036 -13.698 -13.972 1.00 0.55 C ATOM 1712 CG HIS A 102 10.720 -13.604 -12.638 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.443 -14.634 -12.086 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.744 -12.603 -11.726 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.876 -14.272 -10.893 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.466 -13.042 -10.647 1.00 2.14 N ATOM 0 H HIS A 102 7.673 -13.272 -13.076 1.00 0.51 H new ATOM 0 HA HIS A 102 9.827 -11.608 -14.145 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.406 -14.587 -13.988 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.788 -13.826 -14.750 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.278 -11.634 -11.830 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.469 -14.882 -10.227 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.654 -12.509 -9.798 1.00 2.14 H new ATOM 1725 N ALA A 103 7.684 -13.321 -16.010 1.00 0.58 N ATOM 1726 CA ALA A 103 7.192 -13.536 -17.372 1.00 0.61 C ATOM 1727 C ALA A 103 6.576 -12.274 -17.990 1.00 0.61 C ATOM 1728 O ALA A 103 6.159 -12.293 -19.147 1.00 0.64 O ATOM 1729 CB ALA A 103 6.183 -14.672 -17.380 1.00 0.63 C ATOM 0 H ALA A 103 7.189 -13.859 -15.299 1.00 0.58 H new ATOM 0 HA ALA A 103 8.052 -13.798 -17.988 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.819 -14.829 -18.396 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.659 -15.584 -17.020 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.345 -14.419 -16.730 1.00 0.63 H new ATOM 1735 N VAL A 104 6.517 -11.186 -17.234 1.00 0.60 N ATOM 1736 CA VAL A 104 6.007 -9.943 -17.742 1.00 0.63 C ATOM 1737 C VAL A 104 7.139 -9.128 -18.366 1.00 0.76 C ATOM 1738 O VAL A 104 8.283 -9.167 -17.905 1.00 1.68 O ATOM 1739 CB VAL A 104 5.326 -9.151 -16.618 1.00 0.57 C ATOM 1740 CG1 VAL A 104 6.304 -8.886 -15.512 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.744 -7.854 -17.127 1.00 0.51 C ATOM 0 H VAL A 104 6.821 -11.151 -16.261 1.00 0.60 H new ATOM 0 HA VAL A 104 5.265 -10.152 -18.513 1.00 0.63 H new ATOM 0 HB VAL A 104 4.503 -9.753 -16.233 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.812 -8.323 -14.718 1.00 0.60 H new ATOM 0 HG12 VAL A 104 6.668 -9.833 -15.113 1.00 0.60 H new ATOM 0 HG13 VAL A 104 7.144 -8.309 -15.899 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.270 -7.320 -16.304 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.539 -7.239 -17.548 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.002 -8.066 -17.897 1.00 0.51 H new ATOM 1751 N THR A 105 6.802 -8.385 -19.400 1.00 0.77 N ATOM 1752 CA THR A 105 7.816 -7.603 -20.092 1.00 0.79 C ATOM 1753 C THR A 105 7.289 -6.263 -20.585 1.00 0.75 C ATOM 1754 O THR A 105 7.973 -5.568 -21.328 1.00 0.95 O ATOM 1755 CB THR A 105 8.403 -8.384 -21.283 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.363 -9.105 -21.958 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.488 -9.349 -20.833 1.00 1.03 C ATOM 0 H THR A 105 5.857 -8.303 -19.776 1.00 0.77 H new ATOM 0 HA THR A 105 8.598 -7.409 -19.358 1.00 0.79 H new ATOM 0 HB THR A 105 8.851 -7.663 -21.967 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.744 -9.597 -22.715 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.881 -9.884 -21.698 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.294 -8.793 -20.354 1.00 1.03 H new ATOM 0 HG23 THR A 105 9.069 -10.063 -20.124 1.00 1.03 H new ATOM 1765 N ASP A 106 6.098 -5.883 -20.162 1.00 0.77 N ATOM 1766 CA ASP A 106 5.613 -4.537 -20.417 1.00 0.79 C ATOM 1767 C ASP A 106 6.152 -3.563 -19.382 1.00 0.73 C ATOM 1768 O ASP A 106 5.974 -3.754 -18.176 1.00 0.72 O ATOM 1769 CB ASP A 106 4.088 -4.504 -20.369 1.00 0.79 C ATOM 1770 CG ASP A 106 3.520 -3.112 -20.575 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.491 -2.328 -19.603 1.00 2.07 O ATOM 1772 OD2 ASP A 106 3.066 -2.814 -21.697 1.00 1.38 O ATOM 0 H ASP A 106 5.453 -6.480 -19.645 1.00 0.77 H new ATOM 0 HA ASP A 106 5.960 -4.243 -21.408 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.691 -5.170 -21.135 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.752 -4.889 -19.407 1.00 0.79 H new ATOM 1777 N GLU A 107 6.860 -2.556 -19.875 1.00 0.71 N ATOM 1778 CA GLU A 107 7.692 -1.681 -19.052 1.00 0.69 C ATOM 1779 C GLU A 107 6.963 -1.097 -17.852 1.00 0.66 C ATOM 1780 O GLU A 107 7.453 -1.174 -16.725 1.00 0.63 O ATOM 1781 CB GLU A 107 8.275 -0.545 -19.899 1.00 0.73 C ATOM 1782 CG GLU A 107 9.569 -0.901 -20.617 1.00 1.63 C ATOM 1783 CD GLU A 107 9.431 -2.084 -21.553 1.00 2.35 C ATOM 1784 OE1 GLU A 107 8.970 -1.890 -22.693 1.00 2.65 O ATOM 1785 OE2 GLU A 107 9.782 -3.216 -21.147 1.00 3.18 O ATOM 0 H GLU A 107 6.875 -2.319 -20.867 1.00 0.71 H new ATOM 0 HA GLU A 107 8.491 -2.311 -18.661 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.534 -0.242 -20.639 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.455 0.317 -19.256 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.911 -0.036 -21.185 1.00 1.63 H new ATOM 0 HG3 GLU A 107 10.338 -1.121 -19.877 1.00 1.63 H new ATOM 1792 N GLU A 108 5.791 -0.526 -18.105 1.00 0.67 N ATOM 1793 CA GLU A 108 4.983 0.069 -17.049 1.00 0.66 C ATOM 1794 C GLU A 108 4.558 -0.981 -16.026 1.00 0.58 C ATOM 1795 O GLU A 108 4.557 -0.719 -14.824 1.00 0.54 O ATOM 1796 CB GLU A 108 3.753 0.772 -17.626 1.00 0.76 C ATOM 1797 CG GLU A 108 4.005 2.214 -18.044 1.00 1.46 C ATOM 1798 CD GLU A 108 5.035 2.344 -19.146 1.00 2.09 C ATOM 1799 OE1 GLU A 108 4.652 2.264 -20.333 1.00 2.78 O ATOM 1800 OE2 GLU A 108 6.227 2.540 -18.834 1.00 2.40 O ATOM 0 H GLU A 108 5.379 -0.463 -19.036 1.00 0.67 H new ATOM 0 HA GLU A 108 5.600 0.813 -16.545 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.398 0.210 -18.490 1.00 0.76 H new ATOM 0 HB3 GLU A 108 2.955 0.753 -16.884 1.00 0.76 H new ATOM 0 HG2 GLU A 108 3.067 2.658 -18.378 1.00 1.46 H new ATOM 0 HG3 GLU A 108 4.337 2.784 -17.176 1.00 1.46 H new ATOM 1807 N LYS A 109 4.182 -2.167 -16.497 1.00 0.59 N ATOM 1808 CA LYS A 109 3.827 -3.264 -15.606 1.00 0.55 C ATOM 1809 C LYS A 109 4.998 -3.604 -14.673 1.00 0.51 C ATOM 1810 O LYS A 109 4.822 -3.783 -13.467 1.00 0.48 O ATOM 1811 CB LYS A 109 3.409 -4.495 -16.422 1.00 0.58 C ATOM 1812 CG LYS A 109 2.190 -4.252 -17.304 1.00 0.65 C ATOM 1813 CD LYS A 109 1.690 -5.533 -17.955 1.00 1.22 C ATOM 1814 CE LYS A 109 0.423 -5.293 -18.762 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.623 -4.307 -19.858 1.00 1.81 N ATOM 0 H LYS A 109 4.116 -2.391 -17.490 1.00 0.59 H new ATOM 0 HA LYS A 109 2.983 -2.953 -14.990 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.245 -4.807 -17.048 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.196 -5.318 -15.740 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.391 -3.815 -16.705 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.442 -3.527 -18.078 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.465 -5.938 -18.606 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.496 -6.281 -17.186 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.082 -6.238 -19.185 1.00 1.11 H new ATOM 0 HE3 LYS A 109 -0.365 -4.938 -18.098 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.255 -4.217 -20.409 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.873 -3.383 -19.452 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.390 -4.631 -20.481 1.00 1.81 H new ATOM 1829 N LYS A 110 6.201 -3.640 -15.232 1.00 0.53 N ATOM 1830 CA LYS A 110 7.398 -3.968 -14.459 1.00 0.53 C ATOM 1831 C LYS A 110 7.871 -2.778 -13.626 1.00 0.51 C ATOM 1832 O LYS A 110 8.675 -2.918 -12.703 1.00 0.51 O ATOM 1833 CB LYS A 110 8.536 -4.375 -15.392 1.00 0.56 C ATOM 1834 CG LYS A 110 8.218 -5.536 -16.315 1.00 0.62 C ATOM 1835 CD LYS A 110 9.363 -5.783 -17.286 1.00 0.80 C ATOM 1836 CE LYS A 110 9.511 -4.635 -18.275 1.00 0.81 C ATOM 1837 NZ LYS A 110 10.652 -4.830 -19.206 1.00 1.14 N ATOM 0 H LYS A 110 6.376 -3.446 -16.218 1.00 0.53 H new ATOM 0 HA LYS A 110 7.134 -4.791 -13.795 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.816 -3.513 -15.998 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.406 -4.636 -14.789 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.034 -6.435 -15.726 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.304 -5.326 -16.870 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.292 -5.909 -16.730 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.188 -6.712 -17.828 1.00 0.80 H new ATOM 0 HE2 LYS A 110 8.590 -4.534 -18.850 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.649 -3.703 -17.727 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 10.629 -4.095 -19.942 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.546 -4.764 -18.678 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 10.581 -5.767 -19.651 1.00 1.14 H new ATOM 1851 N GLN A 111 7.344 -1.614 -13.974 1.00 0.51 N ATOM 1852 CA GLN A 111 7.540 -0.418 -13.164 1.00 0.51 C ATOM 1853 C GLN A 111 6.795 -0.578 -11.845 1.00 0.50 C ATOM 1854 O GLN A 111 7.291 -0.196 -10.787 1.00 0.51 O ATOM 1855 CB GLN A 111 7.050 0.823 -13.914 1.00 0.52 C ATOM 1856 CG GLN A 111 7.354 2.138 -13.215 1.00 1.08 C ATOM 1857 CD GLN A 111 8.843 2.374 -13.037 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.506 2.909 -13.927 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.371 2.006 -11.879 1.00 1.61 N ATOM 0 H GLN A 111 6.778 -1.471 -14.810 1.00 0.51 H new ATOM 0 HA GLN A 111 8.603 -0.289 -12.961 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.505 0.838 -14.904 1.00 0.52 H new ATOM 0 HB3 GLN A 111 5.973 0.743 -14.060 1.00 0.52 H new ATOM 0 HG2 GLN A 111 6.926 2.959 -13.791 1.00 1.08 H new ATOM 0 HG3 GLN A 111 6.869 2.147 -12.239 1.00 1.08 H new ATOM 0 HE21 GLN A 111 8.786 1.566 -11.169 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.362 2.163 -11.698 1.00 1.61 H new ATOM 1868 N TYR A 112 5.615 -1.186 -11.918 1.00 0.50 N ATOM 1869 CA TYR A 112 4.830 -1.490 -10.726 1.00 0.49 C ATOM 1870 C TYR A 112 5.531 -2.561 -9.899 1.00 0.49 C ATOM 1871 O TYR A 112 5.503 -2.531 -8.670 1.00 0.50 O ATOM 1872 CB TYR A 112 3.424 -1.964 -11.105 1.00 0.49 C ATOM 1873 CG TYR A 112 2.492 -0.855 -11.551 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.162 0.189 -10.693 1.00 0.70 C ATOM 1875 CD2 TYR A 112 1.932 -0.858 -12.822 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.302 1.197 -11.091 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.071 0.147 -13.226 1.00 0.75 C ATOM 1878 CZ TYR A 112 0.758 1.170 -12.359 1.00 0.80 C ATOM 1879 OH TYR A 112 -0.103 2.168 -12.759 1.00 0.92 O ATOM 0 H TYR A 112 5.180 -1.479 -12.793 1.00 0.50 H new ATOM 0 HA TYR A 112 4.740 -0.579 -10.135 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.504 -2.699 -11.906 1.00 0.49 H new ATOM 0 HB3 TYR A 112 2.981 -2.473 -10.249 1.00 0.49 H new ATOM 0 HD1 TYR A 112 2.584 0.213 -9.699 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.173 -1.658 -13.506 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.058 2.001 -10.413 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.646 0.129 -14.219 1.00 0.75 H new ATOM 0 HH TYR A 112 -0.935 1.769 -13.089 1.00 0.92 H new ATOM 1889 N ILE A 113 6.161 -3.509 -10.584 1.00 0.49 N ATOM 1890 CA ILE A 113 6.930 -4.546 -9.908 1.00 0.51 C ATOM 1891 C ILE A 113 8.046 -3.943 -9.051 1.00 0.53 C ATOM 1892 O ILE A 113 8.206 -4.298 -7.885 1.00 0.54 O ATOM 1893 CB ILE A 113 7.541 -5.539 -10.909 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.423 -6.293 -11.621 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.483 -6.510 -10.205 1.00 0.59 C ATOM 1896 CD1 ILE A 113 6.924 -7.328 -12.591 1.00 0.72 C ATOM 0 H ILE A 113 6.154 -3.581 -11.601 1.00 0.49 H new ATOM 0 HA ILE A 113 6.233 -5.080 -9.262 1.00 0.51 H new ATOM 0 HB ILE A 113 8.125 -4.987 -11.645 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.791 -6.779 -10.877 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.796 -5.579 -12.155 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.903 -7.203 -10.934 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.289 -5.953 -9.727 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.931 -7.069 -9.449 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.076 -7.826 -13.062 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.532 -6.845 -13.356 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.527 -8.064 -12.059 1.00 0.72 H new ATOM 1908 N ALA A 114 8.806 -3.023 -9.632 1.00 0.56 N ATOM 1909 CA ALA A 114 9.897 -2.371 -8.914 1.00 0.59 C ATOM 1910 C ALA A 114 9.356 -1.462 -7.813 1.00 0.59 C ATOM 1911 O ALA A 114 9.902 -1.422 -6.710 1.00 0.60 O ATOM 1912 CB ALA A 114 10.766 -1.582 -9.884 1.00 0.63 C ATOM 0 H ALA A 114 8.688 -2.711 -10.596 1.00 0.56 H new ATOM 0 HA ALA A 114 10.510 -3.140 -8.444 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.576 -1.100 -9.337 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.184 -2.258 -10.631 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.161 -0.823 -10.380 1.00 0.63 H new ATOM 1918 N ASP A 115 8.297 -0.734 -8.117 1.00 0.61 N ATOM 1919 CA ASP A 115 7.741 0.228 -7.169 1.00 0.66 C ATOM 1920 C ASP A 115 6.994 -0.467 -6.039 1.00 0.60 C ATOM 1921 O ASP A 115 7.380 -0.385 -4.876 1.00 0.59 O ATOM 1922 CB ASP A 115 6.808 1.212 -7.881 1.00 0.77 C ATOM 1923 CG ASP A 115 7.545 2.213 -8.752 1.00 1.03 C ATOM 1924 OD1 ASP A 115 8.785 2.100 -8.865 1.00 1.20 O ATOM 1925 OD2 ASP A 115 6.898 3.111 -9.331 1.00 1.73 O ATOM 0 H ASP A 115 7.803 -0.786 -9.008 1.00 0.61 H new ATOM 0 HA ASP A 115 8.577 0.778 -6.737 1.00 0.66 H new ATOM 0 HB2 ASP A 115 6.104 0.653 -8.497 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.222 1.751 -7.136 1.00 0.77 H new ATOM 1930 N PHE A 116 5.960 -1.202 -6.395 1.00 0.60 N ATOM 1931 CA PHE A 116 5.053 -1.740 -5.394 1.00 0.60 C ATOM 1932 C PHE A 116 5.387 -3.183 -5.039 1.00 0.56 C ATOM 1933 O PHE A 116 5.055 -3.630 -3.952 1.00 0.55 O ATOM 1934 CB PHE A 116 3.602 -1.631 -5.861 1.00 0.68 C ATOM 1935 CG PHE A 116 2.759 -0.703 -5.036 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.201 -1.134 -3.845 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.502 0.588 -5.465 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.401 -0.299 -3.094 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.706 1.435 -4.713 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.152 0.987 -3.527 1.00 1.52 C ATOM 0 H PHE A 116 5.726 -1.440 -7.359 1.00 0.60 H new ATOM 0 HA PHE A 116 5.179 -1.140 -4.492 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.590 -1.291 -6.897 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.152 -2.623 -5.846 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.395 -2.139 -3.499 1.00 1.01 H new ATOM 0 HD2 PHE A 116 2.926 0.937 -6.395 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.970 -0.651 -2.168 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.518 2.443 -5.051 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.525 1.643 -2.941 1.00 1.52 H new ATOM 1950 N GLY A 117 6.059 -3.892 -5.940 1.00 0.55 N ATOM 1951 CA GLY A 117 6.321 -5.322 -5.749 1.00 0.56 C ATOM 1952 C GLY A 117 6.792 -5.705 -4.340 1.00 0.54 C ATOM 1953 O GLY A 117 6.066 -6.394 -3.612 1.00 0.55 O ATOM 0 H GLY A 117 6.432 -3.506 -6.807 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.411 -5.878 -5.977 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.076 -5.638 -6.468 1.00 0.56 H new ATOM 1957 N PRO A 118 7.996 -5.275 -3.916 1.00 0.52 N ATOM 1958 CA PRO A 118 8.564 -5.659 -2.612 1.00 0.53 C ATOM 1959 C PRO A 118 7.755 -5.139 -1.426 1.00 0.46 C ATOM 1960 O PRO A 118 7.819 -5.687 -0.325 1.00 0.45 O ATOM 1961 CB PRO A 118 9.959 -5.021 -2.614 1.00 0.54 C ATOM 1962 CG PRO A 118 10.238 -4.686 -4.040 1.00 0.65 C ATOM 1963 CD PRO A 118 8.905 -4.394 -4.665 1.00 0.53 C ATOM 0 HA PRO A 118 8.570 -6.743 -2.495 1.00 0.53 H new ATOM 0 HB2 PRO A 118 9.984 -4.129 -1.988 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.706 -5.709 -2.218 1.00 0.54 H new ATOM 0 HG2 PRO A 118 10.902 -3.825 -4.116 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.733 -5.515 -4.546 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.630 -3.345 -4.560 1.00 0.53 H new ATOM 0 HD3 PRO A 118 8.900 -4.619 -5.731 1.00 0.53 H new ATOM 1971 N ALA A 119 6.992 -4.081 -1.646 1.00 0.46 N ATOM 1972 CA ALA A 119 6.158 -3.512 -0.597 1.00 0.42 C ATOM 1973 C ALA A 119 4.833 -4.257 -0.500 1.00 0.44 C ATOM 1974 O ALA A 119 4.300 -4.457 0.586 1.00 0.43 O ATOM 1975 CB ALA A 119 5.911 -2.035 -0.864 1.00 0.41 C ATOM 0 H ALA A 119 6.932 -3.597 -2.542 1.00 0.46 H new ATOM 0 HA ALA A 119 6.682 -3.616 0.353 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.286 -1.622 -0.072 1.00 0.41 H new ATOM 0 HB2 ALA A 119 6.863 -1.505 -0.888 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.406 -1.918 -1.823 1.00 0.41 H new ATOM 1981 N CYS A 120 4.332 -4.704 -1.642 1.00 0.47 N ATOM 1982 CA CYS A 120 3.188 -5.604 -1.683 1.00 0.50 C ATOM 1983 C CYS A 120 3.516 -6.911 -0.969 1.00 0.52 C ATOM 1984 O CYS A 120 2.629 -7.596 -0.475 1.00 0.53 O ATOM 1985 CB CYS A 120 2.774 -5.888 -3.128 1.00 0.56 C ATOM 1986 SG CYS A 120 2.074 -4.446 -3.995 1.00 1.17 S ATOM 0 H CYS A 120 4.703 -4.456 -2.559 1.00 0.47 H new ATOM 0 HA CYS A 120 2.356 -5.120 -1.172 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.643 -6.245 -3.681 1.00 0.56 H new ATOM 0 HB3 CYS A 120 2.040 -6.694 -3.133 1.00 0.56 H new ATOM 1991 N LYS A 121 4.803 -7.248 -0.925 1.00 0.54 N ATOM 1992 CA LYS A 121 5.275 -8.432 -0.207 1.00 0.58 C ATOM 1993 C LYS A 121 4.838 -8.401 1.261 1.00 0.59 C ATOM 1994 O LYS A 121 4.189 -9.331 1.734 1.00 0.65 O ATOM 1995 CB LYS A 121 6.798 -8.515 -0.301 1.00 0.63 C ATOM 1996 CG LYS A 121 7.371 -9.893 -0.008 1.00 1.01 C ATOM 1997 CD LYS A 121 6.928 -10.899 -1.057 1.00 1.04 C ATOM 1998 CE LYS A 121 7.645 -12.229 -0.899 1.00 1.37 C ATOM 1999 NZ LYS A 121 9.100 -12.116 -1.196 1.00 1.47 N ATOM 0 H LYS A 121 5.543 -6.714 -1.381 1.00 0.54 H new ATOM 0 HA LYS A 121 4.832 -9.314 -0.669 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.105 -8.212 -1.302 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.233 -7.798 0.396 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.460 -9.841 0.015 1.00 1.01 H new ATOM 0 HG3 LYS A 121 7.047 -10.224 0.979 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.852 -11.054 -0.980 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.122 -10.497 -2.051 1.00 1.04 H new ATOM 0 HE2 LYS A 121 7.510 -12.595 0.119 1.00 1.37 H new ATOM 0 HE3 LYS A 121 7.195 -12.965 -1.565 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 9.502 -13.066 -1.327 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 9.235 -11.560 -2.065 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 9.580 -11.643 -0.404 1.00 1.47 H new ATOM 2013 N LYS A 122 5.209 -7.337 1.983 1.00 0.54 N ATOM 2014 CA LYS A 122 4.775 -7.180 3.377 1.00 0.55 C ATOM 2015 C LYS A 122 3.256 -7.005 3.431 1.00 0.53 C ATOM 2016 O LYS A 122 2.622 -7.382 4.415 1.00 0.57 O ATOM 2017 CB LYS A 122 5.492 -6.008 4.062 1.00 0.52 C ATOM 2018 CG LYS A 122 5.250 -4.658 3.409 1.00 0.46 C ATOM 2019 CD LYS A 122 5.981 -3.526 4.123 1.00 0.47 C ATOM 2020 CE LYS A 122 7.483 -3.514 3.841 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.234 -4.519 4.644 1.00 1.50 N ATOM 0 H LYS A 122 5.799 -6.583 1.633 1.00 0.54 H new ATOM 0 HA LYS A 122 5.045 -8.083 3.925 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.170 -5.958 5.102 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.564 -6.208 4.070 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.575 -4.697 2.369 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.180 -4.448 3.401 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.552 -2.573 3.815 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.819 -3.617 5.197 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.650 -3.706 2.781 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.879 -2.520 4.051 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 9.100 -4.084 5.022 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.640 -4.848 5.431 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.487 -5.327 4.040 1.00 1.50 H new ATOM 2035 N ILE A 123 2.684 -6.398 2.401 1.00 0.49 N ATOM 2036 CA ILE A 123 1.248 -6.139 2.375 1.00 0.48 C ATOM 2037 C ILE A 123 0.422 -7.423 2.314 1.00 0.51 C ATOM 2038 O ILE A 123 -0.568 -7.611 3.016 1.00 0.54 O ATOM 2039 CB ILE A 123 0.861 -5.218 1.213 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.464 -3.835 1.445 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.652 -5.127 1.079 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.266 -2.896 0.290 1.00 0.44 C ATOM 0 H ILE A 123 3.188 -6.076 1.575 1.00 0.49 H new ATOM 0 HA ILE A 123 1.018 -5.637 3.315 1.00 0.48 H new ATOM 0 HB ILE A 123 1.253 -5.630 0.283 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.019 -3.398 2.339 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.531 -3.940 1.639 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.905 -4.468 0.248 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -1.061 -6.120 0.892 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -1.076 -4.728 2.001 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.719 -1.932 0.523 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.735 -3.312 -0.602 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.200 -2.761 0.109 1.00 0.44 H new ATOM 2054 N TYR A 124 0.905 -8.312 1.458 1.00 0.52 N ATOM 2055 CA TYR A 124 0.417 -9.677 1.309 1.00 0.58 C ATOM 2056 C TYR A 124 1.052 -10.591 2.351 1.00 0.64 C ATOM 2057 O TYR A 124 0.939 -11.800 2.238 1.00 0.82 O ATOM 2058 CB TYR A 124 0.689 -10.211 -0.100 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.250 -9.656 -1.143 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -1.607 -9.940 -1.114 1.00 1.14 C ATOM 2061 CD2 TYR A 124 0.229 -8.842 -2.163 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -2.463 -9.430 -2.071 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -0.620 -8.330 -3.123 1.00 1.05 C ATOM 2064 CZ TYR A 124 -1.993 -8.647 -3.057 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.811 -8.120 -4.029 1.00 1.17 O ATOM 0 H TYR A 124 1.675 -8.096 0.825 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.662 -9.664 1.465 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.714 -9.970 -0.380 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.608 -11.298 -0.090 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -2.001 -10.570 -0.330 1.00 1.14 H new ATOM 0 HD2 TYR A 124 1.282 -8.607 -2.205 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -3.517 -9.662 -2.026 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -0.240 -7.697 -3.911 1.00 1.05 H new ATOM 0 HH TYR A 124 -3.327 -7.376 -3.654 1.00 1.17 H new ATOM 2075 N GLY A 125 1.516 -9.962 3.438 1.00 0.73 N ATOM 2076 CA GLY A 125 2.674 -10.338 4.288 1.00 0.86 C ATOM 2077 C GLY A 125 3.250 -11.752 4.191 1.00 0.71 C ATOM 2078 O GLY A 125 3.751 -12.288 5.182 1.00 0.78 O ATOM 0 H GLY A 125 1.065 -9.113 3.779 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.482 -9.640 4.067 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.385 -10.173 5.326 1.00 0.86 H new ATOM 2082 N VAL A 126 3.164 -12.348 3.023 1.00 0.71 N ATOM 2083 CA VAL A 126 3.847 -13.602 2.692 1.00 0.84 C ATOM 2084 C VAL A 126 5.375 -13.420 2.661 1.00 0.99 C ATOM 2085 O VAL A 126 6.065 -13.975 1.804 1.00 1.53 O ATOM 2086 CB VAL A 126 3.381 -14.118 1.308 1.00 0.93 C ATOM 2087 CG1 VAL A 126 1.907 -14.495 1.332 1.00 1.38 C ATOM 2088 CG2 VAL A 126 3.638 -13.070 0.228 1.00 0.98 C ATOM 0 H VAL A 126 2.608 -11.976 2.253 1.00 0.71 H new ATOM 0 HA VAL A 126 3.592 -14.324 3.468 1.00 0.84 H new ATOM 0 HB VAL A 126 3.959 -15.012 1.074 1.00 0.93 H new ATOM 0 HG11 VAL A 126 1.607 -14.854 0.347 1.00 1.38 H new ATOM 0 HG12 VAL A 126 1.744 -15.281 2.070 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.312 -13.621 1.596 1.00 1.38 H new ATOM 0 HG21 VAL A 126 3.304 -13.452 -0.737 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.090 -12.159 0.467 1.00 0.98 H new ATOM 0 HG23 VAL A 126 4.705 -12.850 0.181 1.00 0.98 H new ATOM 2098 N HIS A 127 5.899 -12.652 3.605 1.00 1.01 N ATOM 2099 CA HIS A 127 7.312 -12.305 3.622 1.00 1.16 C ATOM 2100 C HIS A 127 8.115 -13.356 4.380 1.00 1.46 C ATOM 2101 O HIS A 127 9.339 -13.436 4.244 1.00 2.24 O ATOM 2102 CB HIS A 127 7.497 -10.921 4.256 1.00 1.47 C ATOM 2103 CG HIS A 127 8.906 -10.407 4.215 1.00 1.86 C ATOM 2104 ND1 HIS A 127 9.589 -9.998 5.339 1.00 2.31 N ATOM 2105 CD2 HIS A 127 9.754 -10.220 3.176 1.00 2.47 C ATOM 2106 CE1 HIS A 127 10.793 -9.586 4.996 1.00 2.66 C ATOM 2107 NE2 HIS A 127 10.919 -9.710 3.689 1.00 2.77 N ATOM 0 H HIS A 127 5.361 -12.255 4.375 1.00 1.01 H new ATOM 0 HA HIS A 127 7.681 -12.276 2.597 1.00 1.16 H new ATOM 0 HB2 HIS A 127 6.848 -10.210 3.744 1.00 1.47 H new ATOM 0 HB3 HIS A 127 7.168 -10.963 5.294 1.00 1.47 H new ATOM 0 HD2 HIS A 127 9.551 -10.433 2.137 1.00 2.47 H new ATOM 0 HE1 HIS A 127 11.548 -9.211 5.671 1.00 2.66 H new ATOM 0 HE2 HIS A 127 11.748 -9.466 3.148 1.00 2.77 H new ATOM 2116 N THR A 128 7.426 -14.163 5.167 1.00 1.60 N ATOM 2117 CA THR A 128 8.067 -15.211 5.940 1.00 2.21 C ATOM 2118 C THR A 128 8.303 -16.459 5.088 1.00 2.87 C ATOM 2119 O THR A 128 7.924 -16.503 3.916 1.00 3.63 O ATOM 2120 CB THR A 128 7.220 -15.570 7.173 1.00 2.81 C ATOM 2121 OG1 THR A 128 5.832 -15.598 6.812 1.00 3.28 O ATOM 2122 CG2 THR A 128 7.441 -14.568 8.294 1.00 3.47 C ATOM 0 H THR A 128 6.414 -14.111 5.288 1.00 1.60 H new ATOM 0 HA THR A 128 9.034 -14.833 6.273 1.00 2.21 H new ATOM 0 HB THR A 128 7.526 -16.554 7.529 1.00 2.81 H new ATOM 0 HG1 THR A 128 5.294 -15.829 7.598 1.00 3.28 H new ATOM 0 HG21 THR A 128 6.831 -14.844 9.154 1.00 3.47 H new ATOM 0 HG22 THR A 128 8.493 -14.568 8.580 1.00 3.47 H new ATOM 0 HG23 THR A 128 7.158 -13.572 7.953 1.00 3.47 H new ATOM 2130 N SER A 129 8.926 -17.466 5.676 1.00 3.24 N ATOM 2131 CA SER A 129 9.226 -18.698 4.970 1.00 4.34 C ATOM 2132 C SER A 129 8.886 -19.906 5.840 1.00 4.97 C ATOM 2133 O SER A 129 7.796 -20.486 5.659 1.00 5.24 O ATOM 2134 CB SER A 129 10.703 -18.714 4.561 1.00 5.03 C ATOM 2135 OG SER A 129 11.540 -18.388 5.662 1.00 5.11 O ATOM 2136 OXT SER A 129 9.696 -20.247 6.729 1.00 5.56 O ATOM 0 H SER A 129 9.235 -17.453 6.648 1.00 3.24 H new ATOM 0 HA SER A 129 8.616 -18.752 4.068 1.00 4.34 H new ATOM 0 HB2 SER A 129 10.967 -19.700 4.178 1.00 5.03 H new ATOM 0 HB3 SER A 129 10.868 -18.003 3.751 1.00 5.03 H new ATOM 0 HG SER A 129 11.247 -18.885 6.454 1.00 5.11 H new TER 2142 SER A 129