USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 180:sc= 0.0172 USER MOD Set 1.2: A 79 TYR OH : rot 10:sc= 1.64 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-6.1!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.569 X(o=-0.87,f=-1) USER MOD Set 3.2: A 66 MET CE :methyl -167:sc= -0.306 (180deg=-0.401) USER MOD Set 4.1: A 1 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-7.7!) USER MOD Set 4.2: A 28 ASN :FLIP amide:sc= -0.0455 F(o=-5.7!,f=-3.3) USER MOD Set 4.3: A 34 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 1 HIS N :NH3+ 132:sc= 1.05! (180deg=-0.31) USER MOD Set 5.2: A 87 SER OG : rot -120:sc= 0.0745 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.277 USER MOD Single : A 7 SER OG : rot 180:sc= -0.703 USER MOD Single : A 8 THR OG1 : rot -71:sc= -0.225 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.145) USER MOD Single : A 40 MET CE :methyl -137:sc= -0.0357 (180deg=-0.229) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.152 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 177:sc= 0 (180deg=-0.00526) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.567 USER MOD Single : A 78 THR OG1 : rot 160:sc= -0.761 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 28:sc= -0.116 USER MOD Single : A 91 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00602 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 15.493 -3.102 -2.911 1.00 12.28 N ATOM 2 CA HIS A 1 15.365 -2.245 -4.078 1.00 11.01 C ATOM 3 C HIS A 1 15.617 -0.790 -3.676 1.00 9.00 C ATOM 4 O HIS A 1 15.538 -0.446 -2.498 1.00 8.73 O ATOM 5 CB HIS A 1 14.006 -2.445 -4.752 1.00 11.53 C ATOM 6 CG HIS A 1 12.895 -2.816 -3.799 1.00 12.70 C ATOM 7 ND1 HIS A 1 12.788 -4.070 -3.223 1.00 14.35 N ATOM 8 CD2 HIS A 1 11.845 -2.085 -3.326 1.00 12.82 C ATOM 9 CE1 HIS A 1 11.718 -4.082 -2.442 1.00 15.38 C ATOM 10 NE2 HIS A 1 11.135 -2.851 -2.506 1.00 14.49 N ATOM 0 H1 HIS A 1 14.678 -3.747 -2.863 1.00 12.28 H new ATOM 0 H2 HIS A 1 16.370 -3.657 -2.982 1.00 12.28 H new ATOM 0 H3 HIS A 1 15.523 -2.517 -2.052 1.00 12.28 H new ATOM 0 HA HIS A 1 16.117 -2.518 -4.818 1.00 11.01 H new ATOM 0 HB2 HIS A 1 13.732 -1.528 -5.273 1.00 11.53 H new ATOM 0 HB3 HIS A 1 14.098 -3.225 -5.507 1.00 11.53 H new ATOM 0 HD2 HIS A 1 11.628 -1.057 -3.576 1.00 12.82 H new ATOM 0 HE1 HIS A 1 11.369 -4.920 -1.857 1.00 15.38 H new ATOM 0 HE2 HIS A 1 10.293 -2.566 -2.007 1.00 14.49 H new ATOM 20 N PRO A 2 15.924 0.045 -4.704 1.00 8.15 N ATOM 21 CA PRO A 2 16.190 1.454 -4.470 1.00 6.69 C ATOM 22 C PRO A 2 14.892 2.217 -4.191 1.00 5.50 C ATOM 23 O PRO A 2 14.753 2.850 -3.147 1.00 5.43 O ATOM 24 CB PRO A 2 16.903 1.933 -5.723 1.00 7.19 C ATOM 25 CG PRO A 2 16.599 0.901 -6.797 1.00 8.65 C ATOM 26 CD PRO A 2 16.026 -0.329 -6.111 1.00 9.26 C ATOM 0 HA PRO A 2 16.806 1.626 -3.588 1.00 6.69 H new ATOM 0 HB2 PRO A 2 16.550 2.921 -6.020 1.00 7.19 H new ATOM 0 HB3 PRO A 2 17.977 2.016 -5.554 1.00 7.19 H new ATOM 0 HG2 PRO A 2 15.888 1.301 -7.521 1.00 8.65 H new ATOM 0 HG3 PRO A 2 17.504 0.645 -7.347 1.00 8.65 H new ATOM 0 HD2 PRO A 2 15.052 -0.594 -6.522 1.00 9.26 H new ATOM 0 HD3 PRO A 2 16.674 -1.195 -6.245 1.00 9.26 H new ATOM 34 N LYS A 3 13.977 2.131 -5.146 1.00 4.76 N ATOM 35 CA LYS A 3 12.696 2.806 -5.016 1.00 3.71 C ATOM 36 C LYS A 3 11.628 2.011 -5.770 1.00 2.62 C ATOM 37 O LYS A 3 11.949 1.207 -6.644 1.00 3.02 O ATOM 38 CB LYS A 3 12.811 4.264 -5.465 1.00 4.20 C ATOM 39 CG LYS A 3 11.550 5.051 -5.100 1.00 3.63 C ATOM 40 CD LYS A 3 11.660 6.506 -5.560 1.00 4.12 C ATOM 41 CE LYS A 3 10.510 7.346 -5.000 1.00 4.08 C ATOM 42 NZ LYS A 3 10.956 8.107 -3.812 1.00 5.42 N ATOM 0 H LYS A 3 14.097 1.605 -6.012 1.00 4.76 H new ATOM 0 HA LYS A 3 12.388 2.843 -3.971 1.00 3.71 H new ATOM 0 HB2 LYS A 3 13.680 4.725 -4.996 1.00 4.20 H new ATOM 0 HB3 LYS A 3 12.971 4.305 -6.542 1.00 4.20 H new ATOM 0 HG2 LYS A 3 10.680 4.585 -5.562 1.00 3.63 H new ATOM 0 HG3 LYS A 3 11.395 5.017 -4.022 1.00 3.63 H new ATOM 0 HD2 LYS A 3 12.613 6.923 -5.234 1.00 4.12 H new ATOM 0 HD3 LYS A 3 11.650 6.549 -6.649 1.00 4.12 H new ATOM 0 HE2 LYS A 3 10.148 8.033 -5.765 1.00 4.08 H new ATOM 0 HE3 LYS A 3 9.675 6.698 -4.732 1.00 4.08 H new ATOM 0 HZ1 LYS A 3 10.164 8.672 -3.444 1.00 5.42 H new ATOM 0 HZ2 LYS A 3 11.280 7.446 -3.078 1.00 5.42 H new ATOM 0 HZ3 LYS A 3 11.738 8.739 -4.078 1.00 5.42 H new ATOM 56 N LEU A 4 10.379 2.266 -5.407 1.00 1.53 N ATOM 57 CA LEU A 4 9.263 1.585 -6.039 1.00 0.75 C ATOM 58 C LEU A 4 9.166 2.022 -7.501 1.00 0.62 C ATOM 59 O LEU A 4 8.751 3.142 -7.793 1.00 0.69 O ATOM 60 CB LEU A 4 7.976 1.814 -5.243 1.00 1.03 C ATOM 61 CG LEU A 4 6.704 1.201 -5.832 1.00 0.58 C ATOM 62 CD1 LEU A 4 5.894 2.251 -6.597 1.00 0.99 C ATOM 63 CD2 LEU A 4 7.033 -0.014 -6.702 1.00 0.92 C ATOM 0 H LEU A 4 10.116 2.935 -4.683 1.00 1.53 H new ATOM 0 HA LEU A 4 9.425 0.507 -6.038 1.00 0.75 H new ATOM 0 HB2 LEU A 4 8.117 1.413 -4.239 1.00 1.03 H new ATOM 0 HB3 LEU A 4 7.823 2.888 -5.139 1.00 1.03 H new ATOM 0 HG LEU A 4 6.081 0.849 -5.010 1.00 0.58 H new ATOM 0 HD11 LEU A 4 4.995 1.790 -7.006 1.00 0.99 H new ATOM 0 HD12 LEU A 4 5.613 3.058 -5.920 1.00 0.99 H new ATOM 0 HD13 LEU A 4 6.497 2.654 -7.411 1.00 0.99 H new ATOM 0 HD21 LEU A 4 6.111 -0.431 -7.108 1.00 0.92 H new ATOM 0 HD22 LEU A 4 7.685 0.290 -7.520 1.00 0.92 H new ATOM 0 HD23 LEU A 4 7.537 -0.768 -6.098 1.00 0.92 H new ATOM 75 N VAL A 5 9.557 1.114 -8.384 1.00 0.51 N ATOM 76 CA VAL A 5 9.519 1.390 -9.810 1.00 0.48 C ATOM 77 C VAL A 5 8.128 1.901 -10.189 1.00 0.46 C ATOM 78 O VAL A 5 7.965 3.070 -10.535 1.00 0.50 O ATOM 79 CB VAL A 5 9.935 0.145 -10.596 1.00 0.53 C ATOM 80 CG1 VAL A 5 9.654 0.321 -12.090 1.00 0.67 C ATOM 81 CG2 VAL A 5 11.407 -0.192 -10.351 1.00 0.65 C ATOM 0 H VAL A 5 9.902 0.186 -8.139 1.00 0.51 H new ATOM 0 HA VAL A 5 10.233 2.172 -10.067 1.00 0.48 H new ATOM 0 HB VAL A 5 9.336 -0.693 -10.239 1.00 0.53 H new ATOM 0 HG11 VAL A 5 9.959 -0.578 -12.626 1.00 0.67 H new ATOM 0 HG12 VAL A 5 8.588 0.490 -12.242 1.00 0.67 H new ATOM 0 HG13 VAL A 5 10.215 1.176 -12.467 1.00 0.67 H new ATOM 0 HG21 VAL A 5 11.677 -1.081 -10.921 1.00 0.65 H new ATOM 0 HG22 VAL A 5 12.029 0.645 -10.668 1.00 0.65 H new ATOM 0 HG23 VAL A 5 11.565 -0.380 -9.289 1.00 0.65 H new ATOM 91 N SER A 6 7.160 0.999 -10.113 1.00 0.46 N ATOM 92 CA SER A 6 5.788 1.343 -10.443 1.00 0.49 C ATOM 93 C SER A 6 4.823 0.423 -9.695 1.00 0.39 C ATOM 94 O SER A 6 5.189 -0.687 -9.311 1.00 0.37 O ATOM 95 CB SER A 6 5.547 1.252 -11.951 1.00 0.60 C ATOM 96 OG SER A 6 6.586 1.879 -12.698 1.00 0.94 O ATOM 0 H SER A 6 7.299 0.030 -9.827 1.00 0.46 H new ATOM 0 HA SER A 6 5.609 2.373 -10.134 1.00 0.49 H new ATOM 0 HB2 SER A 6 5.472 0.205 -12.243 1.00 0.60 H new ATOM 0 HB3 SER A 6 4.593 1.720 -12.194 1.00 0.60 H new ATOM 0 HG SER A 6 6.395 1.798 -13.656 1.00 0.94 H new ATOM 102 N SER A 7 3.607 0.918 -9.510 1.00 0.36 N ATOM 103 CA SER A 7 2.586 0.153 -8.814 1.00 0.32 C ATOM 104 C SER A 7 1.196 0.644 -9.222 1.00 0.33 C ATOM 105 O SER A 7 1.065 1.682 -9.868 1.00 0.35 O ATOM 106 CB SER A 7 2.760 0.255 -7.297 1.00 0.38 C ATOM 107 OG SER A 7 2.698 1.603 -6.841 1.00 0.49 O ATOM 0 H SER A 7 3.306 1.839 -9.830 1.00 0.36 H new ATOM 0 HA SER A 7 2.692 -0.895 -9.096 1.00 0.32 H new ATOM 0 HB2 SER A 7 1.984 -0.331 -6.803 1.00 0.38 H new ATOM 0 HB3 SER A 7 3.718 -0.180 -7.012 1.00 0.38 H new ATOM 0 HG SER A 7 2.812 1.625 -5.868 1.00 0.49 H new ATOM 113 N THR A 8 0.192 -0.126 -8.827 1.00 0.33 N ATOM 114 CA THR A 8 -1.184 0.218 -9.144 1.00 0.37 C ATOM 115 C THR A 8 -2.085 -0.017 -7.931 1.00 0.39 C ATOM 116 O THR A 8 -3.056 -0.769 -8.010 1.00 0.41 O ATOM 117 CB THR A 8 -1.600 -0.588 -10.376 1.00 0.39 C ATOM 118 OG1 THR A 8 -0.385 -0.778 -11.095 1.00 0.99 O ATOM 119 CG2 THR A 8 -2.478 0.220 -11.335 1.00 0.82 C ATOM 0 H THR A 8 0.304 -0.986 -8.291 1.00 0.33 H new ATOM 0 HA THR A 8 -1.283 1.277 -9.382 1.00 0.37 H new ATOM 0 HB THR A 8 -2.136 -1.483 -10.059 1.00 0.39 H new ATOM 0 HG1 THR A 8 -0.100 0.074 -11.487 1.00 0.99 H new ATOM 0 HG21 THR A 8 -2.745 -0.398 -12.192 1.00 0.82 H new ATOM 0 HG22 THR A 8 -3.385 0.536 -10.819 1.00 0.82 H new ATOM 0 HG23 THR A 8 -1.930 1.098 -11.678 1.00 0.82 H new ATOM 127 N PRO A 9 -1.724 0.658 -6.807 1.00 0.39 N ATOM 128 CA PRO A 9 -2.488 0.530 -5.579 1.00 0.43 C ATOM 129 C PRO A 9 -3.803 1.310 -5.667 1.00 0.46 C ATOM 130 O PRO A 9 -4.880 0.718 -5.691 1.00 0.51 O ATOM 131 CB PRO A 9 -1.566 1.043 -4.485 1.00 0.44 C ATOM 132 CG PRO A 9 -0.501 1.867 -5.191 1.00 0.42 C ATOM 133 CD PRO A 9 -0.582 1.558 -6.677 1.00 0.39 C ATOM 0 HA PRO A 9 -2.789 -0.498 -5.377 1.00 0.43 H new ATOM 0 HB2 PRO A 9 -2.115 1.649 -3.764 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -1.118 0.217 -3.932 1.00 0.44 H new ATOM 0 HG2 PRO A 9 -0.661 2.930 -5.013 1.00 0.42 H new ATOM 0 HG3 PRO A 9 0.489 1.624 -4.804 1.00 0.42 H new ATOM 0 HD2 PRO A 9 -0.725 2.466 -7.263 1.00 0.39 H new ATOM 0 HD3 PRO A 9 0.335 1.089 -7.034 1.00 0.39 H new ATOM 141 N ALA A 10 -3.669 2.628 -5.712 1.00 0.46 N ATOM 142 CA ALA A 10 -4.832 3.495 -5.798 1.00 0.50 C ATOM 143 C ALA A 10 -4.371 4.952 -5.866 1.00 0.53 C ATOM 144 O ALA A 10 -4.930 5.816 -5.189 1.00 0.52 O ATOM 145 CB ALA A 10 -5.755 3.230 -4.606 1.00 0.45 C ATOM 0 H ALA A 10 -2.774 3.116 -5.691 1.00 0.46 H new ATOM 0 HA ALA A 10 -5.401 3.286 -6.704 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -6.628 3.880 -4.670 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -6.077 2.189 -4.619 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -5.219 3.432 -3.679 1.00 0.45 H new ATOM 151 N GLU A 11 -3.358 5.182 -6.687 1.00 0.61 N ATOM 152 CA GLU A 11 -2.816 6.520 -6.852 1.00 0.71 C ATOM 153 C GLU A 11 -3.949 7.547 -6.919 1.00 0.74 C ATOM 154 O GLU A 11 -4.625 7.664 -7.940 1.00 0.81 O ATOM 155 CB GLU A 11 -1.927 6.603 -8.094 1.00 0.87 C ATOM 156 CG GLU A 11 -0.484 6.939 -7.715 1.00 0.88 C ATOM 157 CD GLU A 11 0.203 7.738 -8.823 1.00 1.66 C ATOM 158 OE1 GLU A 11 0.276 7.272 -9.969 1.00 2.27 O ATOM 159 OE2 GLU A 11 0.673 8.884 -8.459 1.00 2.87 O ATOM 0 H GLU A 11 -2.897 4.464 -7.246 1.00 0.61 H new ATOM 0 HA GLU A 11 -2.195 6.748 -5.986 1.00 0.71 H new ATOM 0 HB2 GLU A 11 -1.954 5.654 -8.629 1.00 0.87 H new ATOM 0 HB3 GLU A 11 -2.315 7.363 -8.773 1.00 0.87 H new ATOM 0 HG2 GLU A 11 -0.472 7.512 -6.788 1.00 0.88 H new ATOM 0 HG3 GLU A 11 0.070 6.019 -7.528 1.00 0.88 H new ATOM 166 N GLY A 12 -4.119 8.265 -5.818 1.00 0.71 N ATOM 167 CA GLY A 12 -5.159 9.277 -5.740 1.00 0.75 C ATOM 168 C GLY A 12 -6.479 8.754 -6.309 1.00 0.76 C ATOM 169 O GLY A 12 -7.237 9.507 -6.919 1.00 0.92 O ATOM 0 H GLY A 12 -3.555 8.166 -4.974 1.00 0.71 H new ATOM 0 HA2 GLY A 12 -5.301 9.578 -4.702 1.00 0.75 H new ATOM 0 HA3 GLY A 12 -4.849 10.165 -6.290 1.00 0.75 H new ATOM 173 N SER A 13 -6.713 7.468 -6.090 1.00 0.68 N ATOM 174 CA SER A 13 -7.928 6.836 -6.574 1.00 0.76 C ATOM 175 C SER A 13 -9.135 7.354 -5.790 1.00 0.58 C ATOM 176 O SER A 13 -9.390 6.911 -4.671 1.00 0.50 O ATOM 177 CB SER A 13 -7.838 5.313 -6.463 1.00 0.93 C ATOM 178 OG SER A 13 -8.150 4.669 -7.696 1.00 1.56 O ATOM 0 H SER A 13 -6.082 6.847 -5.584 1.00 0.68 H new ATOM 0 HA SER A 13 -8.050 7.090 -7.627 1.00 0.76 H new ATOM 0 HB2 SER A 13 -6.832 5.031 -6.151 1.00 0.93 H new ATOM 0 HB3 SER A 13 -8.522 4.965 -5.689 1.00 0.93 H new ATOM 0 HG SER A 13 -8.080 3.698 -7.585 1.00 1.56 H new ATOM 184 N GLU A 14 -9.847 8.284 -6.408 1.00 0.63 N ATOM 185 CA GLU A 14 -11.022 8.867 -5.783 1.00 0.61 C ATOM 186 C GLU A 14 -12.288 8.432 -6.521 1.00 0.70 C ATOM 187 O GLU A 14 -12.464 8.742 -7.698 1.00 0.81 O ATOM 188 CB GLU A 14 -10.915 10.393 -5.731 1.00 0.75 C ATOM 189 CG GLU A 14 -9.578 10.829 -5.129 1.00 0.82 C ATOM 190 CD GLU A 14 -9.273 12.289 -5.472 1.00 1.05 C ATOM 191 OE1 GLU A 14 -10.184 13.129 -5.472 1.00 1.20 O ATOM 192 OE2 GLU A 14 -8.037 12.537 -5.745 1.00 1.83 O ATOM 0 H GLU A 14 -9.633 8.649 -7.336 1.00 0.63 H new ATOM 0 HA GLU A 14 -11.081 8.504 -4.757 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -11.016 10.803 -6.736 1.00 0.75 H new ATOM 0 HB3 GLU A 14 -11.734 10.799 -5.138 1.00 0.75 H new ATOM 0 HG2 GLU A 14 -9.604 10.704 -4.047 1.00 0.82 H new ATOM 0 HG3 GLU A 14 -8.780 10.189 -5.505 1.00 0.82 H new ATOM 199 N GLY A 15 -13.140 7.716 -5.799 1.00 0.73 N ATOM 200 CA GLY A 15 -14.385 7.234 -6.370 1.00 0.91 C ATOM 201 C GLY A 15 -14.838 5.941 -5.689 1.00 0.67 C ATOM 202 O GLY A 15 -16.027 5.750 -5.439 1.00 0.80 O ATOM 0 H GLY A 15 -12.991 7.459 -4.823 1.00 0.73 H new ATOM 0 HA2 GLY A 15 -15.157 7.996 -6.262 1.00 0.91 H new ATOM 0 HA3 GLY A 15 -14.256 7.060 -7.438 1.00 0.91 H new ATOM 206 N ALA A 16 -13.864 5.088 -5.407 1.00 0.72 N ATOM 207 CA ALA A 16 -14.147 3.819 -4.759 1.00 0.83 C ATOM 208 C ALA A 16 -12.830 3.100 -4.456 1.00 1.16 C ATOM 209 O ALA A 16 -11.794 3.427 -5.033 1.00 1.78 O ATOM 210 CB ALA A 16 -15.073 2.985 -5.649 1.00 1.13 C ATOM 0 H ALA A 16 -12.879 5.251 -5.615 1.00 0.72 H new ATOM 0 HA ALA A 16 -14.662 3.980 -3.812 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -15.285 2.033 -5.162 1.00 1.13 H new ATOM 0 HB2 ALA A 16 -16.006 3.525 -5.811 1.00 1.13 H new ATOM 0 HB3 ALA A 16 -14.588 2.802 -6.608 1.00 1.13 H new ATOM 216 N ALA A 17 -12.913 2.137 -3.550 1.00 0.93 N ATOM 217 CA ALA A 17 -11.741 1.371 -3.163 1.00 1.25 C ATOM 218 C ALA A 17 -11.470 0.294 -4.216 1.00 1.07 C ATOM 219 O ALA A 17 -12.398 -0.351 -4.701 1.00 1.02 O ATOM 220 CB ALA A 17 -11.954 0.781 -1.768 1.00 1.68 C ATOM 0 H ALA A 17 -13.774 1.870 -3.073 1.00 0.93 H new ATOM 0 HA ALA A 17 -10.862 2.014 -3.115 1.00 1.25 H new ATOM 0 HB1 ALA A 17 -11.074 0.206 -1.478 1.00 1.68 H new ATOM 0 HB2 ALA A 17 -12.113 1.588 -1.052 1.00 1.68 H new ATOM 0 HB3 ALA A 17 -12.827 0.128 -1.778 1.00 1.68 H new ATOM 226 N PRO A 18 -10.162 0.130 -4.547 1.00 1.05 N ATOM 227 CA PRO A 18 -9.757 -0.858 -5.532 1.00 0.96 C ATOM 228 C PRO A 18 -9.824 -2.272 -4.951 1.00 0.93 C ATOM 229 O PRO A 18 -9.388 -2.506 -3.825 1.00 1.58 O ATOM 230 CB PRO A 18 -8.352 -0.451 -5.944 1.00 1.07 C ATOM 231 CG PRO A 18 -7.845 0.468 -4.844 1.00 1.21 C ATOM 232 CD PRO A 18 -9.036 0.876 -3.992 1.00 1.22 C ATOM 0 HA PRO A 18 -10.419 -0.884 -6.397 1.00 0.96 H new ATOM 0 HB2 PRO A 18 -7.708 -1.324 -6.051 1.00 1.07 H new ATOM 0 HB3 PRO A 18 -8.360 0.060 -6.907 1.00 1.07 H new ATOM 0 HG2 PRO A 18 -7.097 -0.041 -4.236 1.00 1.21 H new ATOM 0 HG3 PRO A 18 -7.363 1.347 -5.273 1.00 1.21 H new ATOM 0 HD2 PRO A 18 -8.876 0.628 -2.943 1.00 1.22 H new ATOM 0 HD3 PRO A 18 -9.210 1.951 -4.043 1.00 1.22 H new ATOM 240 N ALA A 19 -10.373 -3.178 -5.747 1.00 0.71 N ATOM 241 CA ALA A 19 -10.502 -4.563 -5.326 1.00 0.81 C ATOM 242 C ALA A 19 -9.211 -5.005 -4.636 1.00 0.68 C ATOM 243 O ALA A 19 -9.249 -5.592 -3.554 1.00 0.67 O ATOM 244 CB ALA A 19 -10.844 -5.435 -6.536 1.00 1.09 C ATOM 0 H ALA A 19 -10.733 -2.980 -6.681 1.00 0.71 H new ATOM 0 HA ALA A 19 -11.314 -4.671 -4.606 1.00 0.81 H new ATOM 0 HB1 ALA A 19 -10.941 -6.474 -6.220 1.00 1.09 H new ATOM 0 HB2 ALA A 19 -11.785 -5.099 -6.972 1.00 1.09 H new ATOM 0 HB3 ALA A 19 -10.050 -5.354 -7.279 1.00 1.09 H new ATOM 250 N LYS A 20 -8.097 -4.706 -5.287 1.00 0.62 N ATOM 251 CA LYS A 20 -6.795 -5.064 -4.749 1.00 0.53 C ATOM 252 C LYS A 20 -5.749 -4.067 -5.250 1.00 0.50 C ATOM 253 O LYS A 20 -5.939 -3.429 -6.284 1.00 0.59 O ATOM 254 CB LYS A 20 -6.463 -6.521 -5.078 1.00 0.54 C ATOM 255 CG LYS A 20 -6.193 -6.698 -6.573 1.00 0.54 C ATOM 256 CD LYS A 20 -7.439 -7.207 -7.299 1.00 1.62 C ATOM 257 CE LYS A 20 -7.104 -7.642 -8.728 1.00 1.72 C ATOM 258 NZ LYS A 20 -7.677 -6.692 -9.707 1.00 3.07 N ATOM 0 H LYS A 20 -8.069 -4.219 -6.183 1.00 0.62 H new ATOM 0 HA LYS A 20 -6.801 -5.000 -3.661 1.00 0.53 H new ATOM 0 HB2 LYS A 20 -5.590 -6.836 -4.507 1.00 0.54 H new ATOM 0 HB3 LYS A 20 -7.290 -7.163 -4.776 1.00 0.54 H new ATOM 0 HG2 LYS A 20 -5.879 -5.747 -7.004 1.00 0.54 H new ATOM 0 HG3 LYS A 20 -5.372 -7.400 -6.717 1.00 0.54 H new ATOM 0 HD2 LYS A 20 -7.866 -8.047 -6.750 1.00 1.62 H new ATOM 0 HD3 LYS A 20 -8.196 -6.423 -7.322 1.00 1.62 H new ATOM 0 HE2 LYS A 20 -6.023 -7.695 -8.854 1.00 1.72 H new ATOM 0 HE3 LYS A 20 -7.496 -8.643 -8.911 1.00 1.72 H new ATOM 0 HZ1 LYS A 20 -7.440 -7.002 -10.671 1.00 3.07 H new ATOM 0 HZ2 LYS A 20 -8.711 -6.662 -9.597 1.00 3.07 H new ATOM 0 HZ3 LYS A 20 -7.283 -5.744 -9.542 1.00 3.07 H new ATOM 272 N ILE A 21 -4.667 -3.964 -4.492 1.00 0.45 N ATOM 273 CA ILE A 21 -3.590 -3.053 -4.845 1.00 0.44 C ATOM 274 C ILE A 21 -2.543 -3.806 -5.669 1.00 0.43 C ATOM 275 O ILE A 21 -2.297 -4.988 -5.436 1.00 0.45 O ATOM 276 CB ILE A 21 -3.022 -2.384 -3.592 1.00 0.42 C ATOM 277 CG1 ILE A 21 -3.784 -1.100 -3.264 1.00 0.45 C ATOM 278 CG2 ILE A 21 -1.518 -2.137 -3.737 1.00 0.42 C ATOM 279 CD1 ILE A 21 -4.548 -1.237 -1.946 1.00 0.50 C ATOM 0 H ILE A 21 -4.513 -4.496 -3.635 1.00 0.45 H new ATOM 0 HA ILE A 21 -3.965 -2.241 -5.469 1.00 0.44 H new ATOM 0 HB ILE A 21 -3.158 -3.063 -2.750 1.00 0.42 H new ATOM 0 HG12 ILE A 21 -3.086 -0.265 -3.199 1.00 0.45 H new ATOM 0 HG13 ILE A 21 -4.481 -0.870 -4.070 1.00 0.45 H new ATOM 0 HG21 ILE A 21 -1.139 -1.661 -2.833 1.00 0.42 H new ATOM 0 HG22 ILE A 21 -1.006 -3.087 -3.888 1.00 0.42 H new ATOM 0 HG23 ILE A 21 -1.337 -1.487 -4.593 1.00 0.42 H new ATOM 0 HD11 ILE A 21 -5.081 -0.310 -1.736 1.00 0.50 H new ATOM 0 HD12 ILE A 21 -5.262 -2.057 -2.023 1.00 0.50 H new ATOM 0 HD13 ILE A 21 -3.846 -1.442 -1.138 1.00 0.50 H new ATOM 291 N GLU A 22 -1.955 -3.090 -6.616 1.00 0.42 N ATOM 292 CA GLU A 22 -0.940 -3.675 -7.476 1.00 0.44 C ATOM 293 C GLU A 22 0.422 -3.036 -7.199 1.00 0.42 C ATOM 294 O GLU A 22 0.498 -1.881 -6.782 1.00 0.40 O ATOM 295 CB GLU A 22 -1.323 -3.532 -8.950 1.00 0.44 C ATOM 296 CG GLU A 22 -1.161 -4.861 -9.689 1.00 0.49 C ATOM 297 CD GLU A 22 0.084 -4.846 -10.579 1.00 1.23 C ATOM 298 OE1 GLU A 22 1.180 -5.181 -9.988 1.00 2.84 O ATOM 299 OE2 GLU A 22 -0.012 -4.527 -11.773 1.00 1.67 O ATOM 0 H GLU A 22 -2.162 -2.110 -6.807 1.00 0.42 H new ATOM 0 HA GLU A 22 -0.872 -4.740 -7.254 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -2.355 -3.191 -9.030 1.00 0.44 H new ATOM 0 HB3 GLU A 22 -0.699 -2.772 -9.420 1.00 0.44 H new ATOM 0 HG2 GLU A 22 -1.087 -5.675 -8.968 1.00 0.49 H new ATOM 0 HG3 GLU A 22 -2.045 -5.053 -10.297 1.00 0.49 H new ATOM 306 N LEU A 23 1.465 -3.817 -7.441 1.00 0.47 N ATOM 307 CA LEU A 23 2.821 -3.342 -7.223 1.00 0.47 C ATOM 308 C LEU A 23 3.754 -3.988 -8.249 1.00 0.53 C ATOM 309 O LEU A 23 3.571 -5.147 -8.617 1.00 0.63 O ATOM 310 CB LEU A 23 3.245 -3.579 -5.773 1.00 0.56 C ATOM 311 CG LEU A 23 2.344 -2.960 -4.701 1.00 0.58 C ATOM 312 CD1 LEU A 23 2.545 -3.650 -3.350 1.00 0.70 C ATOM 313 CD2 LEU A 23 2.558 -1.448 -4.610 1.00 0.57 C ATOM 0 H LEU A 23 1.398 -4.775 -7.786 1.00 0.47 H new ATOM 0 HA LEU A 23 2.876 -2.264 -7.375 1.00 0.47 H new ATOM 0 HB2 LEU A 23 3.295 -4.654 -5.601 1.00 0.56 H new ATOM 0 HB3 LEU A 23 4.254 -3.188 -5.642 1.00 0.56 H new ATOM 0 HG LEU A 23 1.306 -3.121 -4.993 1.00 0.58 H new ATOM 0 HD11 LEU A 23 1.893 -3.191 -2.607 1.00 0.70 H new ATOM 0 HD12 LEU A 23 2.301 -4.708 -3.442 1.00 0.70 H new ATOM 0 HD13 LEU A 23 3.584 -3.543 -3.038 1.00 0.70 H new ATOM 0 HD21 LEU A 23 1.906 -1.034 -3.841 1.00 0.57 H new ATOM 0 HD22 LEU A 23 3.597 -1.242 -4.354 1.00 0.57 H new ATOM 0 HD23 LEU A 23 2.324 -0.989 -5.570 1.00 0.57 H new ATOM 325 N HIS A 24 4.735 -3.209 -8.683 1.00 0.51 N ATOM 326 CA HIS A 24 5.697 -3.691 -9.660 1.00 0.60 C ATOM 327 C HIS A 24 7.112 -3.317 -9.214 1.00 0.57 C ATOM 328 O HIS A 24 7.294 -2.384 -8.434 1.00 0.50 O ATOM 329 CB HIS A 24 5.359 -3.170 -11.058 1.00 0.64 C ATOM 330 CG HIS A 24 4.264 -3.942 -11.753 1.00 0.79 C ATOM 331 ND1 HIS A 24 4.506 -5.087 -12.493 1.00 1.01 N ATOM 332 CD2 HIS A 24 2.919 -3.723 -11.814 1.00 0.82 C ATOM 333 CE1 HIS A 24 3.353 -5.527 -12.972 1.00 1.12 C ATOM 334 NE2 HIS A 24 2.370 -4.681 -12.551 1.00 0.99 N ATOM 0 H HIS A 24 4.884 -2.248 -8.376 1.00 0.51 H new ATOM 0 HA HIS A 24 5.647 -4.778 -9.719 1.00 0.60 H new ATOM 0 HB2 HIS A 24 5.060 -2.124 -10.982 1.00 0.64 H new ATOM 0 HB3 HIS A 24 6.258 -3.201 -11.673 1.00 0.64 H new ATOM 0 HD2 HIS A 24 2.390 -2.908 -11.342 1.00 0.82 H new ATOM 0 HE1 HIS A 24 3.215 -6.403 -13.588 1.00 1.12 H new ATOM 0 HE2 HIS A 24 1.377 -4.770 -12.767 1.00 0.99 H new ATOM 342 N PHE A 25 8.076 -4.065 -9.729 1.00 0.75 N ATOM 343 CA PHE A 25 9.469 -3.825 -9.393 1.00 0.76 C ATOM 344 C PHE A 25 10.396 -4.345 -10.494 1.00 0.90 C ATOM 345 O PHE A 25 10.603 -5.552 -10.617 1.00 1.09 O ATOM 346 CB PHE A 25 9.756 -4.588 -8.098 1.00 0.93 C ATOM 347 CG PHE A 25 9.282 -3.868 -6.834 1.00 0.88 C ATOM 348 CD1 PHE A 25 9.926 -2.749 -6.407 1.00 1.69 C ATOM 349 CD2 PHE A 25 8.217 -4.348 -6.137 1.00 2.12 C ATOM 350 CE1 PHE A 25 9.486 -2.081 -5.233 1.00 1.74 C ATOM 351 CE2 PHE A 25 7.777 -3.681 -4.964 1.00 2.25 C ATOM 352 CZ PHE A 25 8.421 -2.561 -4.537 1.00 1.24 C ATOM 0 H PHE A 25 7.920 -4.838 -10.376 1.00 0.75 H new ATOM 0 HA PHE A 25 9.645 -2.755 -9.282 1.00 0.76 H new ATOM 0 HB2 PHE A 25 9.275 -5.565 -8.150 1.00 0.93 H new ATOM 0 HB3 PHE A 25 10.829 -4.765 -8.023 1.00 0.93 H new ATOM 0 HD1 PHE A 25 10.772 -2.368 -6.960 1.00 1.69 H new ATOM 0 HD2 PHE A 25 7.706 -5.237 -6.476 1.00 2.12 H new ATOM 0 HE1 PHE A 25 9.997 -1.192 -4.893 1.00 1.74 H new ATOM 0 HE2 PHE A 25 6.931 -4.062 -4.411 1.00 2.25 H new ATOM 0 HZ PHE A 25 8.086 -2.053 -3.645 1.00 1.24 H new ATOM 362 N SER A 26 10.930 -3.410 -11.265 1.00 0.99 N ATOM 363 CA SER A 26 11.830 -3.758 -12.351 1.00 1.18 C ATOM 364 C SER A 26 13.156 -4.273 -11.787 1.00 1.24 C ATOM 365 O SER A 26 13.925 -4.923 -12.493 1.00 1.37 O ATOM 366 CB SER A 26 12.074 -2.561 -13.270 1.00 1.39 C ATOM 367 OG SER A 26 11.446 -2.725 -14.539 1.00 2.09 O ATOM 0 H SER A 26 10.757 -2.410 -11.159 1.00 0.99 H new ATOM 0 HA SER A 26 11.363 -4.546 -12.942 1.00 1.18 H new ATOM 0 HB2 SER A 26 11.698 -1.656 -12.794 1.00 1.39 H new ATOM 0 HB3 SER A 26 13.146 -2.425 -13.411 1.00 1.39 H new ATOM 0 HG SER A 26 11.624 -1.939 -15.096 1.00 2.09 H new ATOM 373 N GLU A 27 13.383 -3.964 -10.519 1.00 1.24 N ATOM 374 CA GLU A 27 14.603 -4.386 -9.852 1.00 1.47 C ATOM 375 C GLU A 27 14.291 -4.873 -8.435 1.00 1.39 C ATOM 376 O GLU A 27 14.102 -4.066 -7.525 1.00 2.09 O ATOM 377 CB GLU A 27 15.635 -3.258 -9.830 1.00 1.88 C ATOM 378 CG GLU A 27 16.438 -3.224 -11.132 1.00 3.40 C ATOM 379 CD GLU A 27 17.937 -3.367 -10.855 1.00 3.52 C ATOM 380 OE1 GLU A 27 18.476 -2.468 -10.175 1.00 3.60 O ATOM 381 OE2 GLU A 27 18.508 -4.372 -11.330 1.00 4.41 O ATOM 0 H GLU A 27 12.742 -3.426 -9.935 1.00 1.24 H new ATOM 0 HA GLU A 27 15.033 -5.215 -10.414 1.00 1.47 H new ATOM 0 HB2 GLU A 27 15.131 -2.302 -9.684 1.00 1.88 H new ATOM 0 HB3 GLU A 27 16.310 -3.395 -8.985 1.00 1.88 H new ATOM 0 HG2 GLU A 27 16.107 -4.029 -11.789 1.00 3.40 H new ATOM 0 HG3 GLU A 27 16.249 -2.287 -11.656 1.00 3.40 H new ATOM 388 N ASN A 28 14.248 -6.189 -8.291 1.00 1.65 N ATOM 389 CA ASN A 28 13.963 -6.792 -7.000 1.00 1.87 C ATOM 390 C ASN A 28 14.467 -8.236 -6.995 1.00 2.61 C ATOM 391 O ASN A 28 15.356 -8.585 -6.219 1.00 3.33 O ATOM 392 CB ASN A 28 12.458 -6.815 -6.722 1.00 2.82 C ATOM 393 CG ASN A 28 12.168 -7.340 -5.316 1.00 2.95 C ATOM 394 OD1 ASN A 28 11.537 -8.511 -5.295 1.00 3.56 O flip ATOM 395 ND2 ASN A 28 12.495 -6.725 -4.315 1.00 2.66 N flip ATOM 0 H ASN A 28 14.406 -6.855 -9.047 1.00 1.65 H new ATOM 0 HA ASN A 28 14.462 -6.199 -6.233 1.00 1.87 H new ATOM 0 HB2 ASN A 28 12.049 -5.810 -6.830 1.00 2.82 H new ATOM 0 HB3 ASN A 28 11.958 -7.444 -7.459 1.00 2.82 H new ATOM 0 HD21 ASN A 28 12.977 -5.830 -4.401 1.00 2.66 H new ATOM 0 HD22 ASN A 28 12.286 -7.105 -3.392 1.00 2.66 H new ATOM 402 N LEU A 29 13.876 -9.039 -7.868 1.00 3.26 N ATOM 403 CA LEU A 29 14.255 -10.438 -7.973 1.00 4.76 C ATOM 404 C LEU A 29 14.465 -11.012 -6.571 1.00 4.69 C ATOM 405 O LEU A 29 15.259 -11.932 -6.386 1.00 5.70 O ATOM 406 CB LEU A 29 15.468 -10.597 -8.891 1.00 5.98 C ATOM 407 CG LEU A 29 16.773 -9.974 -8.392 1.00 6.93 C ATOM 408 CD1 LEU A 29 17.984 -10.759 -8.899 1.00 8.37 C ATOM 409 CD2 LEU A 29 16.852 -8.493 -8.767 1.00 6.97 C ATOM 0 H LEU A 29 13.138 -8.748 -8.509 1.00 3.26 H new ATOM 0 HA LEU A 29 13.455 -11.015 -8.437 1.00 4.76 H new ATOM 0 HB2 LEU A 29 15.637 -11.661 -9.056 1.00 5.98 H new ATOM 0 HB3 LEU A 29 15.226 -10.158 -9.859 1.00 5.98 H new ATOM 0 HG LEU A 29 16.785 -10.031 -7.304 1.00 6.93 H new ATOM 0 HD11 LEU A 29 18.899 -10.295 -8.530 1.00 8.37 H new ATOM 0 HD12 LEU A 29 17.928 -11.787 -8.540 1.00 8.37 H new ATOM 0 HD13 LEU A 29 17.990 -10.755 -9.989 1.00 8.37 H new ATOM 0 HD21 LEU A 29 17.789 -8.074 -8.400 1.00 6.97 H new ATOM 0 HD22 LEU A 29 16.808 -8.389 -9.851 1.00 6.97 H new ATOM 0 HD23 LEU A 29 16.015 -7.959 -8.317 1.00 6.97 H new ATOM 421 N VAL A 30 13.738 -10.445 -5.618 1.00 3.83 N ATOM 422 CA VAL A 30 13.836 -10.889 -4.239 1.00 3.81 C ATOM 423 C VAL A 30 12.453 -11.325 -3.750 1.00 4.21 C ATOM 424 O VAL A 30 11.454 -10.666 -4.032 1.00 4.97 O ATOM 425 CB VAL A 30 14.454 -9.787 -3.376 1.00 3.62 C ATOM 426 CG1 VAL A 30 14.015 -9.920 -1.918 1.00 3.65 C ATOM 427 CG2 VAL A 30 15.980 -9.791 -3.493 1.00 4.59 C ATOM 0 H VAL A 30 13.079 -9.682 -5.775 1.00 3.83 H new ATOM 0 HA VAL A 30 14.497 -11.752 -4.162 1.00 3.81 H new ATOM 0 HB VAL A 30 14.092 -8.828 -3.747 1.00 3.62 H new ATOM 0 HG11 VAL A 30 14.469 -9.124 -1.327 1.00 3.65 H new ATOM 0 HG12 VAL A 30 12.929 -9.844 -1.856 1.00 3.65 H new ATOM 0 HG13 VAL A 30 14.333 -10.887 -1.529 1.00 3.65 H new ATOM 0 HG21 VAL A 30 16.395 -8.998 -2.870 1.00 4.59 H new ATOM 0 HG22 VAL A 30 16.368 -10.754 -3.161 1.00 4.59 H new ATOM 0 HG23 VAL A 30 16.266 -9.623 -4.531 1.00 4.59 H new ATOM 437 N THR A 31 12.440 -12.434 -3.024 1.00 4.28 N ATOM 438 CA THR A 31 11.196 -12.965 -2.492 1.00 5.08 C ATOM 439 C THR A 31 10.294 -11.829 -2.007 1.00 5.80 C ATOM 440 O THR A 31 9.274 -11.533 -2.628 1.00 7.41 O ATOM 441 CB THR A 31 11.544 -13.975 -1.397 1.00 4.42 C ATOM 442 OG1 THR A 31 11.598 -15.225 -2.080 1.00 6.16 O ATOM 443 CG2 THR A 31 10.411 -14.153 -0.384 1.00 4.44 C ATOM 0 H THR A 31 13.270 -12.979 -2.792 1.00 4.28 H new ATOM 0 HA THR A 31 10.625 -13.483 -3.263 1.00 5.08 H new ATOM 0 HB THR A 31 12.447 -13.652 -0.879 1.00 4.42 H new ATOM 0 HG1 THR A 31 11.820 -15.936 -1.443 1.00 6.16 H new ATOM 0 HG21 THR A 31 10.709 -14.880 0.371 1.00 4.44 H new ATOM 0 HG22 THR A 31 10.198 -13.198 0.096 1.00 4.44 H new ATOM 0 HG23 THR A 31 9.517 -14.508 -0.897 1.00 4.44 H new ATOM 451 N GLN A 32 10.703 -11.224 -0.902 1.00 5.08 N ATOM 452 CA GLN A 32 9.944 -10.126 -0.326 1.00 6.06 C ATOM 453 C GLN A 32 10.449 -9.815 1.085 1.00 5.09 C ATOM 454 O GLN A 32 10.016 -10.436 2.054 1.00 5.52 O ATOM 455 CB GLN A 32 8.446 -10.441 -0.315 1.00 7.99 C ATOM 456 CG GLN A 32 7.685 -9.518 -1.270 1.00 10.11 C ATOM 457 CD GLN A 32 6.560 -10.273 -1.980 1.00 11.57 C ATOM 458 OE1 GLN A 32 5.463 -10.426 -1.472 1.00 12.65 O ATOM 459 NE2 GLN A 32 6.894 -10.736 -3.182 1.00 11.82 N ATOM 0 H GLN A 32 11.549 -11.473 -0.390 1.00 5.08 H new ATOM 0 HA GLN A 32 10.092 -9.243 -0.947 1.00 6.06 H new ATOM 0 HB2 GLN A 32 8.287 -11.480 -0.604 1.00 7.99 H new ATOM 0 HB3 GLN A 32 8.054 -10.327 0.696 1.00 7.99 H new ATOM 0 HG2 GLN A 32 7.270 -8.677 -0.715 1.00 10.11 H new ATOM 0 HG3 GLN A 32 8.373 -9.105 -2.008 1.00 10.11 H new ATOM 0 HE21 GLN A 32 7.832 -10.573 -3.549 1.00 11.82 H new ATOM 0 HE22 GLN A 32 6.212 -11.254 -3.736 1.00 11.82 H new ATOM 468 N PHE A 33 11.357 -8.852 1.154 1.00 4.25 N ATOM 469 CA PHE A 33 11.925 -8.451 2.430 1.00 3.89 C ATOM 470 C PHE A 33 11.333 -7.120 2.899 1.00 2.69 C ATOM 471 O PHE A 33 11.882 -6.472 3.789 1.00 2.98 O ATOM 472 CB PHE A 33 13.430 -8.277 2.215 1.00 5.08 C ATOM 473 CG PHE A 33 14.215 -9.591 2.227 1.00 6.36 C ATOM 474 CD1 PHE A 33 13.772 -10.655 1.505 1.00 7.86 C ATOM 475 CD2 PHE A 33 15.355 -9.695 2.959 1.00 6.36 C ATOM 476 CE1 PHE A 33 14.500 -11.874 1.517 1.00 9.05 C ATOM 477 CE2 PHE A 33 16.085 -10.913 2.971 1.00 7.51 C ATOM 478 CZ PHE A 33 15.641 -11.977 2.249 1.00 8.71 C ATOM 0 H PHE A 33 11.713 -8.338 0.348 1.00 4.25 H new ATOM 0 HA PHE A 33 11.706 -9.204 3.188 1.00 3.89 H new ATOM 0 HB2 PHE A 33 13.595 -7.775 1.261 1.00 5.08 H new ATOM 0 HB3 PHE A 33 13.825 -7.622 2.992 1.00 5.08 H new ATOM 0 HD1 PHE A 33 12.866 -10.573 0.922 1.00 7.86 H new ATOM 0 HD2 PHE A 33 15.706 -8.850 3.533 1.00 6.36 H new ATOM 0 HE1 PHE A 33 14.147 -12.719 0.945 1.00 9.05 H new ATOM 0 HE2 PHE A 33 16.991 -10.994 3.553 1.00 7.51 H new ATOM 0 HZ PHE A 33 16.195 -12.904 2.257 1.00 8.71 H new ATOM 488 N SER A 34 10.221 -6.752 2.278 1.00 1.80 N ATOM 489 CA SER A 34 9.549 -5.510 2.622 1.00 0.75 C ATOM 490 C SER A 34 8.066 -5.774 2.888 1.00 0.70 C ATOM 491 O SER A 34 7.592 -6.898 2.723 1.00 1.32 O ATOM 492 CB SER A 34 9.712 -4.471 1.511 1.00 1.19 C ATOM 493 OG SER A 34 9.490 -5.030 0.219 1.00 1.53 O ATOM 0 H SER A 34 9.769 -7.292 1.540 1.00 1.80 H new ATOM 0 HA SER A 34 10.008 -5.111 3.526 1.00 0.75 H new ATOM 0 HB2 SER A 34 9.013 -3.651 1.676 1.00 1.19 H new ATOM 0 HB3 SER A 34 10.716 -4.048 1.555 1.00 1.19 H new ATOM 0 HG SER A 34 9.602 -4.334 -0.462 1.00 1.53 H new ATOM 499 N GLY A 35 7.374 -4.721 3.297 1.00 0.63 N ATOM 500 CA GLY A 35 5.954 -4.825 3.587 1.00 0.73 C ATOM 501 C GLY A 35 5.259 -3.472 3.419 1.00 0.77 C ATOM 502 O GLY A 35 5.847 -2.529 2.893 1.00 0.88 O ATOM 0 H GLY A 35 7.770 -3.791 3.435 1.00 0.63 H new ATOM 0 HA2 GLY A 35 5.496 -5.558 2.923 1.00 0.73 H new ATOM 0 HA3 GLY A 35 5.813 -5.186 4.606 1.00 0.73 H new ATOM 506 N ALA A 36 4.017 -3.420 3.877 1.00 0.86 N ATOM 507 CA ALA A 36 3.236 -2.199 3.784 1.00 0.98 C ATOM 508 C ALA A 36 2.158 -2.203 4.870 1.00 1.03 C ATOM 509 O ALA A 36 1.999 -3.190 5.587 1.00 1.17 O ATOM 510 CB ALA A 36 2.646 -2.075 2.378 1.00 1.10 C ATOM 0 H ALA A 36 3.532 -4.204 4.314 1.00 0.86 H new ATOM 0 HA ALA A 36 3.868 -1.327 3.950 1.00 0.98 H new ATOM 0 HB1 ALA A 36 2.060 -1.159 2.309 1.00 1.10 H new ATOM 0 HB2 ALA A 36 3.453 -2.046 1.646 1.00 1.10 H new ATOM 0 HB3 ALA A 36 2.004 -2.932 2.176 1.00 1.10 H new ATOM 516 N LYS A 37 1.445 -1.090 4.957 1.00 0.92 N ATOM 517 CA LYS A 37 0.387 -0.954 5.943 1.00 0.97 C ATOM 518 C LYS A 37 -0.620 0.092 5.463 1.00 0.86 C ATOM 519 O LYS A 37 -0.236 1.182 5.039 1.00 0.75 O ATOM 520 CB LYS A 37 0.976 -0.652 7.323 1.00 1.11 C ATOM 521 CG LYS A 37 1.630 -1.898 7.925 1.00 1.48 C ATOM 522 CD LYS A 37 1.693 -1.801 9.450 1.00 1.82 C ATOM 523 CE LYS A 37 0.328 -2.096 10.076 1.00 2.46 C ATOM 524 NZ LYS A 37 -0.100 -0.974 10.940 1.00 3.83 N ATOM 0 H LYS A 37 1.579 -0.274 4.360 1.00 0.92 H new ATOM 0 HA LYS A 37 -0.155 -1.893 6.052 1.00 0.97 H new ATOM 0 HB2 LYS A 37 1.713 0.146 7.241 1.00 1.11 H new ATOM 0 HB3 LYS A 37 0.190 -0.293 7.987 1.00 1.11 H new ATOM 0 HG2 LYS A 37 1.066 -2.785 7.636 1.00 1.48 H new ATOM 0 HG3 LYS A 37 2.636 -2.015 7.523 1.00 1.48 H new ATOM 0 HD2 LYS A 37 2.432 -2.505 9.832 1.00 1.82 H new ATOM 0 HD3 LYS A 37 2.022 -0.804 9.741 1.00 1.82 H new ATOM 0 HE2 LYS A 37 -0.410 -2.260 9.291 1.00 2.46 H new ATOM 0 HE3 LYS A 37 0.381 -3.014 10.662 1.00 2.46 H new ATOM 0 HZ1 LYS A 37 -0.928 -1.263 11.499 1.00 3.83 H new ATOM 0 HZ2 LYS A 37 0.677 -0.714 11.581 1.00 3.83 H new ATOM 0 HZ3 LYS A 37 -0.350 -0.156 10.348 1.00 3.83 H new ATOM 538 N LEU A 38 -1.891 -0.275 5.544 1.00 0.93 N ATOM 539 CA LEU A 38 -2.957 0.618 5.123 1.00 0.84 C ATOM 540 C LEU A 38 -3.565 1.294 6.352 1.00 0.90 C ATOM 541 O LEU A 38 -3.730 0.663 7.395 1.00 1.07 O ATOM 542 CB LEU A 38 -3.977 -0.133 4.265 1.00 0.82 C ATOM 543 CG LEU A 38 -5.354 0.521 4.135 1.00 0.78 C ATOM 544 CD1 LEU A 38 -5.234 1.954 3.613 1.00 0.69 C ATOM 545 CD2 LEU A 38 -6.285 -0.329 3.268 1.00 0.91 C ATOM 0 H LEU A 38 -2.206 -1.179 5.895 1.00 0.93 H new ATOM 0 HA LEU A 38 -2.562 1.410 4.487 1.00 0.84 H new ATOM 0 HB2 LEU A 38 -3.560 -0.258 3.266 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -4.109 -1.131 4.682 1.00 0.82 H new ATOM 0 HG LEU A 38 -5.800 0.577 5.128 1.00 0.78 H new ATOM 0 HD11 LEU A 38 -6.227 2.395 3.530 1.00 0.69 H new ATOM 0 HD12 LEU A 38 -4.631 2.544 4.304 1.00 0.69 H new ATOM 0 HD13 LEU A 38 -4.758 1.945 2.633 1.00 0.69 H new ATOM 0 HD21 LEU A 38 -7.257 0.158 3.192 1.00 0.91 H new ATOM 0 HD22 LEU A 38 -5.855 -0.439 2.272 1.00 0.91 H new ATOM 0 HD23 LEU A 38 -6.407 -1.313 3.721 1.00 0.91 H new ATOM 557 N VAL A 39 -3.884 2.570 6.190 1.00 0.79 N ATOM 558 CA VAL A 39 -4.472 3.339 7.274 1.00 0.87 C ATOM 559 C VAL A 39 -5.632 4.175 6.730 1.00 0.77 C ATOM 560 O VAL A 39 -5.496 4.839 5.704 1.00 0.74 O ATOM 561 CB VAL A 39 -3.395 4.184 7.959 1.00 1.00 C ATOM 562 CG1 VAL A 39 -2.139 3.355 8.233 1.00 1.13 C ATOM 563 CG2 VAL A 39 -3.062 5.425 7.129 1.00 1.03 C ATOM 0 H VAL A 39 -3.746 3.091 5.324 1.00 0.79 H new ATOM 0 HA VAL A 39 -4.880 2.675 8.036 1.00 0.87 H new ATOM 0 HB VAL A 39 -3.791 4.518 8.918 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -1.390 3.979 8.720 1.00 1.13 H new ATOM 0 HG12 VAL A 39 -2.391 2.517 8.883 1.00 1.13 H new ATOM 0 HG13 VAL A 39 -1.740 2.977 7.292 1.00 1.13 H new ATOM 0 HG21 VAL A 39 -2.294 6.008 7.638 1.00 1.03 H new ATOM 0 HG22 VAL A 39 -2.696 5.120 6.149 1.00 1.03 H new ATOM 0 HG23 VAL A 39 -3.959 6.033 7.008 1.00 1.03 H new ATOM 573 N MET A 40 -6.747 4.115 7.443 1.00 0.75 N ATOM 574 CA MET A 40 -7.931 4.858 7.045 1.00 0.69 C ATOM 575 C MET A 40 -7.970 6.230 7.722 1.00 0.77 C ATOM 576 O MET A 40 -8.401 6.348 8.868 1.00 0.81 O ATOM 577 CB MET A 40 -9.183 4.066 7.424 1.00 0.66 C ATOM 578 CG MET A 40 -10.446 4.908 7.229 1.00 0.66 C ATOM 579 SD MET A 40 -11.051 5.472 8.811 1.00 1.33 S ATOM 580 CE MET A 40 -11.722 3.945 9.448 1.00 2.05 C ATOM 0 H MET A 40 -6.856 3.563 8.294 1.00 0.75 H new ATOM 0 HA MET A 40 -7.898 5.007 5.966 1.00 0.69 H new ATOM 0 HB2 MET A 40 -9.245 3.164 6.815 1.00 0.66 H new ATOM 0 HB3 MET A 40 -9.113 3.744 8.463 1.00 0.66 H new ATOM 0 HG2 MET A 40 -10.229 5.762 6.588 1.00 0.66 H new ATOM 0 HG3 MET A 40 -11.212 4.318 6.726 1.00 0.66 H new ATOM 0 HE1 MET A 40 -12.687 4.139 9.916 1.00 2.05 H new ATOM 0 HE2 MET A 40 -11.851 3.235 8.631 1.00 2.05 H new ATOM 0 HE3 MET A 40 -11.038 3.527 10.187 1.00 2.05 H new ATOM 590 N THR A 41 -7.516 7.231 6.984 1.00 0.80 N ATOM 591 CA THR A 41 -7.494 8.591 7.499 1.00 0.90 C ATOM 592 C THR A 41 -8.650 9.402 6.912 1.00 0.90 C ATOM 593 O THR A 41 -8.429 10.417 6.254 1.00 1.08 O ATOM 594 CB THR A 41 -6.118 9.188 7.198 1.00 1.15 C ATOM 595 OG1 THR A 41 -6.146 10.463 7.834 1.00 1.15 O ATOM 596 CG2 THR A 41 -5.933 9.517 5.715 1.00 1.40 C ATOM 0 H THR A 41 -7.160 7.129 6.034 1.00 0.80 H new ATOM 0 HA THR A 41 -7.642 8.608 8.579 1.00 0.90 H new ATOM 0 HB THR A 41 -5.343 8.490 7.514 1.00 1.15 H new ATOM 0 HG1 THR A 41 -6.857 11.010 7.439 1.00 1.15 H new ATOM 0 HG21 THR A 41 -4.940 9.938 5.557 1.00 1.40 H new ATOM 0 HG22 THR A 41 -6.040 8.607 5.124 1.00 1.40 H new ATOM 0 HG23 THR A 41 -6.687 10.241 5.406 1.00 1.40 H new ATOM 604 N ALA A 42 -9.858 8.924 7.172 1.00 0.76 N ATOM 605 CA ALA A 42 -11.050 9.592 6.678 1.00 0.86 C ATOM 606 C ALA A 42 -11.232 10.916 7.422 1.00 1.19 C ATOM 607 O ALA A 42 -11.194 11.985 6.814 1.00 2.13 O ATOM 608 CB ALA A 42 -12.257 8.664 6.833 1.00 0.93 C ATOM 0 H ALA A 42 -10.037 8.082 7.719 1.00 0.76 H new ATOM 0 HA ALA A 42 -10.950 9.821 5.617 1.00 0.86 H new ATOM 0 HB1 ALA A 42 -13.151 9.165 6.462 1.00 0.93 H new ATOM 0 HB2 ALA A 42 -12.090 7.751 6.262 1.00 0.93 H new ATOM 0 HB3 ALA A 42 -12.391 8.414 7.885 1.00 0.93 H new ATOM 614 N MET A 43 -11.428 10.802 8.728 1.00 1.76 N ATOM 615 CA MET A 43 -11.616 11.977 9.561 1.00 2.25 C ATOM 616 C MET A 43 -10.488 12.109 10.587 1.00 2.01 C ATOM 617 O MET A 43 -9.874 11.114 10.970 1.00 1.84 O ATOM 618 CB MET A 43 -12.959 11.878 10.288 1.00 2.97 C ATOM 619 CG MET A 43 -14.089 12.459 9.435 1.00 3.55 C ATOM 620 SD MET A 43 -15.614 12.461 10.361 1.00 4.93 S ATOM 621 CE MET A 43 -15.817 14.216 10.619 1.00 5.41 C ATOM 0 H MET A 43 -11.461 9.914 9.229 1.00 1.76 H new ATOM 0 HA MET A 43 -11.604 12.859 8.920 1.00 2.25 H new ATOM 0 HB2 MET A 43 -13.174 10.835 10.521 1.00 2.97 H new ATOM 0 HB3 MET A 43 -12.903 12.412 11.237 1.00 2.97 H new ATOM 0 HG2 MET A 43 -13.839 13.475 9.128 1.00 3.55 H new ATOM 0 HG3 MET A 43 -14.208 11.871 8.525 1.00 3.55 H new ATOM 0 HE1 MET A 43 -16.730 14.397 11.187 1.00 5.41 H new ATOM 0 HE2 MET A 43 -14.962 14.604 11.173 1.00 5.41 H new ATOM 0 HE3 MET A 43 -15.884 14.720 9.655 1.00 5.41 H new ATOM 631 N PRO A 44 -10.244 13.377 11.013 1.00 2.55 N ATOM 632 CA PRO A 44 -9.201 13.651 11.988 1.00 2.53 C ATOM 633 C PRO A 44 -9.637 13.226 13.392 1.00 3.21 C ATOM 634 O PRO A 44 -9.010 12.364 14.006 1.00 4.71 O ATOM 635 CB PRO A 44 -8.940 15.144 11.873 1.00 3.32 C ATOM 636 CG PRO A 44 -10.158 15.729 11.179 1.00 4.08 C ATOM 637 CD PRO A 44 -10.951 14.578 10.581 1.00 3.53 C ATOM 0 HA PRO A 44 -8.289 13.084 11.800 1.00 2.53 H new ATOM 0 HB2 PRO A 44 -8.798 15.592 12.856 1.00 3.32 H new ATOM 0 HB3 PRO A 44 -8.033 15.339 11.300 1.00 3.32 H new ATOM 0 HG2 PRO A 44 -10.770 16.287 11.888 1.00 4.08 H new ATOM 0 HG3 PRO A 44 -9.854 16.429 10.400 1.00 4.08 H new ATOM 0 HD2 PRO A 44 -11.981 14.580 10.936 1.00 3.53 H new ATOM 0 HD3 PRO A 44 -10.989 14.646 9.494 1.00 3.53 H new ATOM 645 N GLY A 45 -10.708 13.851 13.858 1.00 3.17 N ATOM 646 CA GLY A 45 -11.235 13.549 15.179 1.00 3.77 C ATOM 647 C GLY A 45 -10.391 14.210 16.270 1.00 3.16 C ATOM 648 O GLY A 45 -10.825 15.174 16.898 1.00 3.17 O ATOM 0 H GLY A 45 -11.225 14.565 13.345 1.00 3.17 H new ATOM 0 HA2 GLY A 45 -12.266 13.896 15.251 1.00 3.77 H new ATOM 0 HA3 GLY A 45 -11.251 12.470 15.330 1.00 3.77 H new ATOM 652 N MET A 46 -9.199 13.664 16.463 1.00 3.00 N ATOM 653 CA MET A 46 -8.289 14.188 17.469 1.00 3.04 C ATOM 654 C MET A 46 -6.930 14.526 16.855 1.00 2.88 C ATOM 655 O MET A 46 -6.036 13.681 16.813 1.00 3.33 O ATOM 656 CB MET A 46 -8.105 13.153 18.580 1.00 4.02 C ATOM 657 CG MET A 46 -9.304 13.152 19.532 1.00 4.48 C ATOM 658 SD MET A 46 -10.738 12.484 18.706 1.00 4.46 S ATOM 659 CE MET A 46 -12.034 13.255 19.663 1.00 4.72 C ATOM 0 H MET A 46 -8.842 12.864 15.940 1.00 3.00 H new ATOM 0 HA MET A 46 -8.718 15.102 17.880 1.00 3.04 H new ATOM 0 HB2 MET A 46 -7.983 12.162 18.142 1.00 4.02 H new ATOM 0 HB3 MET A 46 -7.194 13.370 19.137 1.00 4.02 H new ATOM 0 HG2 MET A 46 -9.075 12.559 20.418 1.00 4.48 H new ATOM 0 HG3 MET A 46 -9.510 14.167 19.872 1.00 4.48 H new ATOM 0 HE1 MET A 46 -13.005 12.943 19.278 1.00 4.72 H new ATOM 0 HE2 MET A 46 -11.944 12.954 20.707 1.00 4.72 H new ATOM 0 HE3 MET A 46 -11.945 14.339 19.589 1.00 4.72 H new ATOM 669 N GLU A 47 -6.816 15.763 16.394 1.00 2.70 N ATOM 670 CA GLU A 47 -5.578 16.223 15.784 1.00 3.19 C ATOM 671 C GLU A 47 -4.975 15.121 14.911 1.00 3.18 C ATOM 672 O GLU A 47 -3.942 14.549 15.253 1.00 3.71 O ATOM 673 CB GLU A 47 -4.582 16.687 16.849 1.00 4.02 C ATOM 674 CG GLU A 47 -3.780 17.894 16.359 1.00 4.71 C ATOM 675 CD GLU A 47 -2.545 18.123 17.233 1.00 5.79 C ATOM 676 OE1 GLU A 47 -1.548 17.398 17.100 1.00 6.28 O ATOM 677 OE2 GLU A 47 -2.646 19.095 18.075 1.00 6.62 O ATOM 0 H GLU A 47 -7.559 16.461 16.430 1.00 2.70 H new ATOM 0 HA GLU A 47 -5.805 17.079 15.148 1.00 3.19 H new ATOM 0 HB2 GLU A 47 -5.116 16.947 17.763 1.00 4.02 H new ATOM 0 HB3 GLU A 47 -3.903 15.871 17.098 1.00 4.02 H new ATOM 0 HG2 GLU A 47 -3.474 17.736 15.325 1.00 4.71 H new ATOM 0 HG3 GLU A 47 -4.410 18.784 16.373 1.00 4.71 H new ATOM 684 N HIS A 48 -5.647 14.855 13.800 1.00 2.78 N ATOM 685 CA HIS A 48 -5.190 13.832 12.876 1.00 2.79 C ATOM 686 C HIS A 48 -4.986 12.516 13.627 1.00 2.37 C ATOM 687 O HIS A 48 -3.883 12.224 14.088 1.00 2.56 O ATOM 688 CB HIS A 48 -3.933 14.292 12.133 1.00 3.37 C ATOM 689 CG HIS A 48 -4.214 15.148 10.921 1.00 4.53 C ATOM 690 ND1 HIS A 48 -4.591 16.476 11.013 1.00 5.65 N ATOM 691 CD2 HIS A 48 -4.168 14.851 9.591 1.00 5.44 C ATOM 692 CE1 HIS A 48 -4.762 16.948 9.786 1.00 6.84 C ATOM 693 NE2 HIS A 48 -4.501 15.939 8.906 1.00 6.70 N ATOM 0 H HIS A 48 -6.505 15.331 13.519 1.00 2.78 H new ATOM 0 HA HIS A 48 -5.950 13.661 12.113 1.00 2.79 H new ATOM 0 HB2 HIS A 48 -3.301 14.852 12.822 1.00 3.37 H new ATOM 0 HB3 HIS A 48 -3.366 13.415 11.822 1.00 3.37 H new ATOM 0 HD2 HIS A 48 -3.905 13.893 9.167 1.00 5.44 H new ATOM 0 HE1 HIS A 48 -5.056 17.955 9.528 1.00 6.84 H new ATOM 0 HE2 HIS A 48 -4.553 16.009 7.890 1.00 6.70 H new ATOM 701 N SER A 49 -6.066 11.755 13.727 1.00 2.04 N ATOM 702 CA SER A 49 -6.020 10.476 14.415 1.00 1.87 C ATOM 703 C SER A 49 -6.428 9.353 13.460 1.00 1.66 C ATOM 704 O SER A 49 -7.567 8.888 13.493 1.00 1.64 O ATOM 705 CB SER A 49 -6.927 10.480 15.648 1.00 2.06 C ATOM 706 OG SER A 49 -6.182 10.381 16.859 1.00 2.55 O ATOM 0 H SER A 49 -6.979 12.000 13.343 1.00 2.04 H new ATOM 0 HA SER A 49 -4.997 10.305 14.751 1.00 1.87 H new ATOM 0 HB2 SER A 49 -7.518 11.395 15.660 1.00 2.06 H new ATOM 0 HB3 SER A 49 -7.628 9.648 15.585 1.00 2.06 H new ATOM 0 HG SER A 49 -6.796 10.389 17.623 1.00 2.55 H new ATOM 712 N PRO A 50 -5.452 8.938 12.609 1.00 1.65 N ATOM 713 CA PRO A 50 -5.698 7.879 11.646 1.00 1.58 C ATOM 714 C PRO A 50 -5.729 6.511 12.331 1.00 1.46 C ATOM 715 O PRO A 50 -5.349 6.387 13.496 1.00 1.76 O ATOM 716 CB PRO A 50 -4.579 8.006 10.626 1.00 1.80 C ATOM 717 CG PRO A 50 -3.491 8.827 11.301 1.00 1.96 C ATOM 718 CD PRO A 50 -4.092 9.466 12.542 1.00 1.86 C ATOM 0 HA PRO A 50 -6.671 7.968 11.163 1.00 1.58 H new ATOM 0 HB2 PRO A 50 -4.204 7.025 10.334 1.00 1.80 H new ATOM 0 HB3 PRO A 50 -4.932 8.496 9.718 1.00 1.80 H new ATOM 0 HG2 PRO A 50 -2.646 8.193 11.569 1.00 1.96 H new ATOM 0 HG3 PRO A 50 -3.113 9.592 10.622 1.00 1.96 H new ATOM 0 HD2 PRO A 50 -3.523 9.209 13.435 1.00 1.86 H new ATOM 0 HD3 PRO A 50 -4.093 10.553 12.467 1.00 1.86 H new ATOM 726 N MET A 51 -6.184 5.519 11.581 1.00 1.11 N ATOM 727 CA MET A 51 -6.268 4.165 12.102 1.00 1.10 C ATOM 728 C MET A 51 -5.645 3.163 11.129 1.00 1.17 C ATOM 729 O MET A 51 -5.640 3.387 9.920 1.00 1.54 O ATOM 730 CB MET A 51 -7.736 3.800 12.340 1.00 0.96 C ATOM 731 CG MET A 51 -8.201 4.271 13.719 1.00 1.14 C ATOM 732 SD MET A 51 -7.348 3.361 14.995 1.00 2.60 S ATOM 733 CE MET A 51 -6.978 4.689 16.129 1.00 3.54 C ATOM 0 H MET A 51 -6.498 5.625 10.617 1.00 1.11 H new ATOM 0 HA MET A 51 -5.716 4.122 13.041 1.00 1.10 H new ATOM 0 HB2 MET A 51 -8.357 4.254 11.568 1.00 0.96 H new ATOM 0 HB3 MET A 51 -7.864 2.721 12.258 1.00 0.96 H new ATOM 0 HG2 MET A 51 -8.009 5.338 13.832 1.00 1.14 H new ATOM 0 HG3 MET A 51 -9.277 4.129 13.817 1.00 1.14 H new ATOM 0 HE1 MET A 51 -6.489 4.285 17.015 1.00 3.54 H new ATOM 0 HE2 MET A 51 -6.316 5.407 15.645 1.00 3.54 H new ATOM 0 HE3 MET A 51 -7.903 5.187 16.420 1.00 3.54 H new ATOM 743 N ALA A 52 -5.133 2.079 11.693 1.00 1.01 N ATOM 744 CA ALA A 52 -4.507 1.041 10.891 1.00 1.06 C ATOM 745 C ALA A 52 -5.542 -0.036 10.561 1.00 0.97 C ATOM 746 O ALA A 52 -6.366 -0.390 11.404 1.00 0.97 O ATOM 747 CB ALA A 52 -3.297 0.477 11.638 1.00 1.27 C ATOM 0 H ALA A 52 -5.139 1.897 12.697 1.00 1.01 H new ATOM 0 HA ALA A 52 -4.145 1.451 9.948 1.00 1.06 H new ATOM 0 HB1 ALA A 52 -2.828 -0.301 11.036 1.00 1.27 H new ATOM 0 HB2 ALA A 52 -2.578 1.276 11.822 1.00 1.27 H new ATOM 0 HB3 ALA A 52 -3.621 0.054 12.589 1.00 1.27 H new ATOM 753 N VAL A 53 -5.467 -0.527 9.333 1.00 0.97 N ATOM 754 CA VAL A 53 -6.388 -1.557 8.881 1.00 0.97 C ATOM 755 C VAL A 53 -5.622 -2.866 8.679 1.00 1.14 C ATOM 756 O VAL A 53 -4.405 -2.856 8.500 1.00 1.36 O ATOM 757 CB VAL A 53 -7.118 -1.090 7.620 1.00 0.88 C ATOM 758 CG1 VAL A 53 -6.314 -1.429 6.363 1.00 0.84 C ATOM 759 CG2 VAL A 53 -8.525 -1.686 7.549 1.00 0.96 C ATOM 0 H VAL A 53 -4.783 -0.231 8.637 1.00 0.97 H new ATOM 0 HA VAL A 53 -7.154 -1.742 9.634 1.00 0.97 H new ATOM 0 HB VAL A 53 -7.216 -0.006 7.672 1.00 0.88 H new ATOM 0 HG11 VAL A 53 -6.855 -1.086 5.481 1.00 0.84 H new ATOM 0 HG12 VAL A 53 -5.343 -0.935 6.408 1.00 0.84 H new ATOM 0 HG13 VAL A 53 -6.170 -2.508 6.303 1.00 0.84 H new ATOM 0 HG21 VAL A 53 -9.022 -1.338 6.643 1.00 0.96 H new ATOM 0 HG22 VAL A 53 -8.459 -2.774 7.532 1.00 0.96 H new ATOM 0 HG23 VAL A 53 -9.098 -1.371 8.421 1.00 0.96 H new ATOM 769 N LYS A 54 -6.367 -3.962 8.713 1.00 1.15 N ATOM 770 CA LYS A 54 -5.773 -5.276 8.535 1.00 1.36 C ATOM 771 C LYS A 54 -5.801 -5.646 7.051 1.00 1.18 C ATOM 772 O LYS A 54 -6.846 -5.566 6.406 1.00 1.33 O ATOM 773 CB LYS A 54 -6.462 -6.301 9.438 1.00 1.65 C ATOM 774 CG LYS A 54 -6.343 -7.712 8.855 1.00 2.46 C ATOM 775 CD LYS A 54 -6.147 -8.747 9.965 1.00 3.59 C ATOM 776 CE LYS A 54 -5.645 -10.074 9.392 1.00 5.01 C ATOM 777 NZ LYS A 54 -4.336 -10.430 9.983 1.00 6.42 N ATOM 0 H LYS A 54 -7.376 -3.967 8.861 1.00 1.15 H new ATOM 0 HA LYS A 54 -4.727 -5.267 8.842 1.00 1.36 H new ATOM 0 HB2 LYS A 54 -6.014 -6.275 10.432 1.00 1.65 H new ATOM 0 HB3 LYS A 54 -7.514 -6.039 9.555 1.00 1.65 H new ATOM 0 HG2 LYS A 54 -7.240 -7.951 8.284 1.00 2.46 H new ATOM 0 HG3 LYS A 54 -5.503 -7.753 8.161 1.00 2.46 H new ATOM 0 HD2 LYS A 54 -5.434 -8.370 10.698 1.00 3.59 H new ATOM 0 HD3 LYS A 54 -7.089 -8.906 10.490 1.00 3.59 H new ATOM 0 HE2 LYS A 54 -6.369 -10.862 9.596 1.00 5.01 H new ATOM 0 HE3 LYS A 54 -5.553 -9.998 8.309 1.00 5.01 H new ATOM 0 HZ1 LYS A 54 -4.009 -11.333 9.584 1.00 6.42 H new ATOM 0 HZ2 LYS A 54 -3.643 -9.685 9.767 1.00 6.42 H new ATOM 0 HZ3 LYS A 54 -4.434 -10.523 11.014 1.00 6.42 H new ATOM 791 N ALA A 55 -4.640 -6.045 6.551 1.00 1.04 N ATOM 792 CA ALA A 55 -4.518 -6.428 5.155 1.00 0.87 C ATOM 793 C ALA A 55 -3.374 -7.432 5.004 1.00 0.85 C ATOM 794 O ALA A 55 -2.652 -7.705 5.962 1.00 0.99 O ATOM 795 CB ALA A 55 -4.313 -5.177 4.299 1.00 0.77 C ATOM 0 H ALA A 55 -3.776 -6.111 7.088 1.00 1.04 H new ATOM 0 HA ALA A 55 -5.430 -6.914 4.809 1.00 0.87 H new ATOM 0 HB1 ALA A 55 -4.221 -5.464 3.251 1.00 0.77 H new ATOM 0 HB2 ALA A 55 -5.167 -4.510 4.419 1.00 0.77 H new ATOM 0 HB3 ALA A 55 -3.405 -4.664 4.616 1.00 0.77 H new ATOM 801 N ALA A 56 -3.244 -7.956 3.794 1.00 0.71 N ATOM 802 CA ALA A 56 -2.199 -8.923 3.506 1.00 0.72 C ATOM 803 C ALA A 56 -1.509 -8.547 2.193 1.00 0.64 C ATOM 804 O ALA A 56 -2.140 -7.994 1.292 1.00 0.62 O ATOM 805 CB ALA A 56 -2.802 -10.329 3.466 1.00 0.77 C ATOM 0 H ALA A 56 -3.845 -7.729 3.002 1.00 0.71 H new ATOM 0 HA ALA A 56 -1.442 -8.915 4.290 1.00 0.72 H new ATOM 0 HB1 ALA A 56 -2.018 -11.055 3.250 1.00 0.77 H new ATOM 0 HB2 ALA A 56 -3.253 -10.559 4.431 1.00 0.77 H new ATOM 0 HB3 ALA A 56 -3.564 -10.376 2.688 1.00 0.77 H new ATOM 811 N VAL A 57 -0.225 -8.862 2.124 1.00 0.67 N ATOM 812 CA VAL A 57 0.557 -8.565 0.936 1.00 0.62 C ATOM 813 C VAL A 57 0.978 -9.875 0.266 1.00 0.68 C ATOM 814 O VAL A 57 1.648 -10.703 0.881 1.00 0.83 O ATOM 815 CB VAL A 57 1.745 -7.672 1.301 1.00 0.66 C ATOM 816 CG1 VAL A 57 1.283 -6.431 2.067 1.00 1.70 C ATOM 817 CG2 VAL A 57 2.791 -8.452 2.100 1.00 1.80 C ATOM 0 H VAL A 57 0.295 -9.321 2.872 1.00 0.67 H new ATOM 0 HA VAL A 57 -0.042 -8.009 0.215 1.00 0.62 H new ATOM 0 HB VAL A 57 2.211 -7.339 0.374 1.00 0.66 H new ATOM 0 HG11 VAL A 57 2.147 -5.814 2.314 1.00 1.70 H new ATOM 0 HG12 VAL A 57 0.592 -5.858 1.449 1.00 1.70 H new ATOM 0 HG13 VAL A 57 0.780 -6.736 2.985 1.00 1.70 H new ATOM 0 HG21 VAL A 57 3.625 -7.795 2.347 1.00 1.80 H new ATOM 0 HG22 VAL A 57 2.341 -8.828 3.019 1.00 1.80 H new ATOM 0 HG23 VAL A 57 3.153 -9.290 1.504 1.00 1.80 H new ATOM 827 N SER A 58 0.566 -10.020 -0.984 1.00 0.59 N ATOM 828 CA SER A 58 0.892 -11.215 -1.745 1.00 0.66 C ATOM 829 C SER A 58 1.697 -10.840 -2.990 1.00 0.71 C ATOM 830 O SER A 58 1.903 -9.659 -3.268 1.00 1.22 O ATOM 831 CB SER A 58 -0.374 -11.977 -2.141 1.00 0.80 C ATOM 832 OG SER A 58 -1.295 -12.084 -1.058 1.00 0.90 O ATOM 0 H SER A 58 0.010 -9.331 -1.489 1.00 0.59 H new ATOM 0 HA SER A 58 1.495 -11.868 -1.114 1.00 0.66 H new ATOM 0 HB2 SER A 58 -0.855 -11.470 -2.977 1.00 0.80 H new ATOM 0 HB3 SER A 58 -0.103 -12.975 -2.486 1.00 0.80 H new ATOM 0 HG SER A 58 -2.090 -12.575 -1.352 1.00 0.90 H new ATOM 838 N GLY A 59 2.130 -11.866 -3.707 1.00 0.67 N ATOM 839 CA GLY A 59 2.909 -11.658 -4.916 1.00 0.66 C ATOM 840 C GLY A 59 2.409 -12.557 -6.050 1.00 0.89 C ATOM 841 O GLY A 59 1.901 -13.650 -5.804 1.00 1.17 O ATOM 0 H GLY A 59 1.956 -12.844 -3.474 1.00 0.67 H new ATOM 0 HA2 GLY A 59 2.844 -10.613 -5.220 1.00 0.66 H new ATOM 0 HA3 GLY A 59 3.960 -11.868 -4.717 1.00 0.66 H new ATOM 845 N GLY A 60 2.572 -12.063 -7.269 1.00 0.87 N ATOM 846 CA GLY A 60 2.145 -12.807 -8.441 1.00 1.15 C ATOM 847 C GLY A 60 3.104 -13.962 -8.738 1.00 1.26 C ATOM 848 O GLY A 60 3.861 -14.385 -7.865 1.00 2.11 O ATOM 0 H GLY A 60 2.994 -11.156 -7.470 1.00 0.87 H new ATOM 0 HA2 GLY A 60 1.139 -13.196 -8.282 1.00 1.15 H new ATOM 0 HA3 GLY A 60 2.096 -12.140 -9.302 1.00 1.15 H new ATOM 852 N GLY A 61 3.041 -14.439 -9.973 1.00 1.76 N ATOM 853 CA GLY A 61 3.894 -15.536 -10.395 1.00 1.86 C ATOM 854 C GLY A 61 5.371 -15.195 -10.184 1.00 1.76 C ATOM 855 O GLY A 61 6.198 -16.087 -9.998 1.00 2.21 O ATOM 0 H GLY A 61 2.412 -14.085 -10.694 1.00 1.76 H new ATOM 0 HA2 GLY A 61 3.641 -16.435 -9.833 1.00 1.86 H new ATOM 0 HA3 GLY A 61 3.715 -15.757 -11.447 1.00 1.86 H new ATOM 859 N ASP A 62 5.657 -13.901 -10.220 1.00 1.40 N ATOM 860 CA ASP A 62 7.019 -13.432 -10.035 1.00 1.30 C ATOM 861 C ASP A 62 7.100 -12.610 -8.747 1.00 1.18 C ATOM 862 O ASP A 62 6.136 -11.948 -8.367 1.00 1.15 O ATOM 863 CB ASP A 62 7.456 -12.536 -11.196 1.00 1.30 C ATOM 864 CG ASP A 62 7.634 -13.255 -12.535 1.00 1.68 C ATOM 865 OD1 ASP A 62 8.235 -14.393 -12.467 1.00 2.20 O ATOM 866 OD2 ASP A 62 7.219 -12.751 -13.590 1.00 2.64 O ATOM 0 H ASP A 62 4.969 -13.164 -10.374 1.00 1.40 H new ATOM 0 HA ASP A 62 7.672 -14.303 -9.987 1.00 1.30 H new ATOM 0 HB2 ASP A 62 6.718 -11.743 -11.321 1.00 1.30 H new ATOM 0 HB3 ASP A 62 8.398 -12.056 -10.930 1.00 1.30 H new ATOM 871 N PRO A 63 8.292 -12.678 -8.095 1.00 1.19 N ATOM 872 CA PRO A 63 8.511 -11.948 -6.858 1.00 1.18 C ATOM 873 C PRO A 63 8.708 -10.456 -7.130 1.00 1.12 C ATOM 874 O PRO A 63 8.881 -9.669 -6.201 1.00 1.16 O ATOM 875 CB PRO A 63 9.729 -12.602 -6.226 1.00 1.30 C ATOM 876 CG PRO A 63 10.422 -13.361 -7.345 1.00 1.35 C ATOM 877 CD PRO A 63 9.457 -13.450 -8.516 1.00 1.30 C ATOM 0 HA PRO A 63 7.655 -11.995 -6.184 1.00 1.18 H new ATOM 0 HB2 PRO A 63 10.393 -11.854 -5.792 1.00 1.30 H new ATOM 0 HB3 PRO A 63 9.437 -13.275 -5.420 1.00 1.30 H new ATOM 0 HG2 PRO A 63 11.337 -12.850 -7.643 1.00 1.35 H new ATOM 0 HG3 PRO A 63 10.708 -14.358 -7.010 1.00 1.35 H new ATOM 0 HD2 PRO A 63 9.897 -13.039 -9.424 1.00 1.30 H new ATOM 0 HD3 PRO A 63 9.190 -14.485 -8.731 1.00 1.30 H new ATOM 885 N LYS A 64 8.674 -10.110 -8.408 1.00 1.08 N ATOM 886 CA LYS A 64 8.846 -8.725 -8.815 1.00 1.08 C ATOM 887 C LYS A 64 7.485 -8.027 -8.820 1.00 0.96 C ATOM 888 O LYS A 64 7.413 -6.801 -8.759 1.00 1.02 O ATOM 889 CB LYS A 64 9.583 -8.648 -10.154 1.00 1.18 C ATOM 890 CG LYS A 64 8.659 -9.032 -11.311 1.00 1.23 C ATOM 891 CD LYS A 64 9.172 -8.461 -12.635 1.00 1.55 C ATOM 892 CE LYS A 64 8.165 -7.478 -13.235 1.00 2.62 C ATOM 893 NZ LYS A 64 7.640 -7.993 -14.519 1.00 3.14 N ATOM 0 H LYS A 64 8.530 -10.765 -9.176 1.00 1.08 H new ATOM 0 HA LYS A 64 9.474 -8.193 -8.101 1.00 1.08 H new ATOM 0 HB2 LYS A 64 9.962 -7.638 -10.307 1.00 1.18 H new ATOM 0 HB3 LYS A 64 10.446 -9.313 -10.137 1.00 1.18 H new ATOM 0 HG2 LYS A 64 8.590 -10.118 -11.381 1.00 1.23 H new ATOM 0 HG3 LYS A 64 7.653 -8.661 -11.116 1.00 1.23 H new ATOM 0 HD2 LYS A 64 10.125 -7.957 -12.473 1.00 1.55 H new ATOM 0 HD3 LYS A 64 9.356 -9.273 -13.338 1.00 1.55 H new ATOM 0 HE2 LYS A 64 7.343 -7.319 -12.537 1.00 2.62 H new ATOM 0 HE3 LYS A 64 8.642 -6.510 -13.392 1.00 2.62 H new ATOM 0 HZ1 LYS A 64 6.958 -7.314 -14.913 1.00 3.14 H new ATOM 0 HZ2 LYS A 64 8.425 -8.122 -15.188 1.00 3.14 H new ATOM 0 HZ3 LYS A 64 7.167 -8.905 -14.360 1.00 3.14 H new ATOM 907 N THR A 65 6.440 -8.838 -8.894 1.00 0.86 N ATOM 908 CA THR A 65 5.085 -8.314 -8.909 1.00 0.77 C ATOM 909 C THR A 65 4.393 -8.588 -7.572 1.00 0.71 C ATOM 910 O THR A 65 4.312 -9.735 -7.135 1.00 0.76 O ATOM 911 CB THR A 65 4.355 -8.921 -10.108 1.00 0.85 C ATOM 912 OG1 THR A 65 4.829 -8.169 -11.221 1.00 0.92 O ATOM 913 CG2 THR A 65 2.851 -8.642 -10.080 1.00 0.84 C ATOM 0 H THR A 65 6.504 -9.855 -8.944 1.00 0.86 H new ATOM 0 HA THR A 65 5.081 -7.230 -9.025 1.00 0.77 H new ATOM 0 HB THR A 65 4.523 -9.998 -10.128 1.00 0.85 H new ATOM 0 HG1 THR A 65 4.407 -8.498 -12.042 1.00 0.92 H new ATOM 0 HG21 THR A 65 2.381 -9.095 -10.953 1.00 0.84 H new ATOM 0 HG22 THR A 65 2.419 -9.067 -9.174 1.00 0.84 H new ATOM 0 HG23 THR A 65 2.680 -7.566 -10.093 1.00 0.84 H new ATOM 921 N MET A 66 3.912 -7.516 -6.960 1.00 0.65 N ATOM 922 CA MET A 66 3.229 -7.627 -5.682 1.00 0.61 C ATOM 923 C MET A 66 1.767 -7.191 -5.802 1.00 0.49 C ATOM 924 O MET A 66 1.416 -6.424 -6.697 1.00 0.49 O ATOM 925 CB MET A 66 3.939 -6.753 -4.646 1.00 0.62 C ATOM 926 CG MET A 66 4.602 -7.611 -3.567 1.00 0.79 C ATOM 927 SD MET A 66 6.317 -7.153 -3.391 1.00 1.27 S ATOM 928 CE MET A 66 6.962 -7.761 -4.940 1.00 0.89 C ATOM 0 H MET A 66 3.982 -6.566 -7.325 1.00 0.65 H new ATOM 0 HA MET A 66 3.253 -8.670 -5.368 1.00 0.61 H new ATOM 0 HB2 MET A 66 4.691 -6.137 -5.139 1.00 0.62 H new ATOM 0 HB3 MET A 66 3.222 -6.073 -4.186 1.00 0.62 H new ATOM 0 HG2 MET A 66 4.083 -7.481 -2.617 1.00 0.79 H new ATOM 0 HG3 MET A 66 4.524 -8.666 -3.831 1.00 0.79 H new ATOM 0 HE1 MET A 66 8.051 -7.768 -4.903 1.00 0.89 H new ATOM 0 HE2 MET A 66 6.598 -8.774 -5.113 1.00 0.89 H new ATOM 0 HE3 MET A 66 6.631 -7.113 -5.751 1.00 0.89 H new ATOM 938 N VAL A 67 0.955 -7.701 -4.887 1.00 0.46 N ATOM 939 CA VAL A 67 -0.461 -7.374 -4.879 1.00 0.39 C ATOM 940 C VAL A 67 -0.969 -7.362 -3.436 1.00 0.39 C ATOM 941 O VAL A 67 -0.852 -8.359 -2.725 1.00 0.47 O ATOM 942 CB VAL A 67 -1.228 -8.348 -5.775 1.00 0.42 C ATOM 943 CG1 VAL A 67 -1.409 -7.774 -7.181 1.00 1.79 C ATOM 944 CG2 VAL A 67 -0.533 -9.710 -5.824 1.00 1.73 C ATOM 0 H VAL A 67 1.250 -8.338 -4.147 1.00 0.46 H new ATOM 0 HA VAL A 67 -0.625 -6.378 -5.290 1.00 0.39 H new ATOM 0 HB VAL A 67 -2.218 -8.492 -5.343 1.00 0.42 H new ATOM 0 HG11 VAL A 67 -1.957 -8.487 -7.797 1.00 1.79 H new ATOM 0 HG12 VAL A 67 -1.967 -6.839 -7.123 1.00 1.79 H new ATOM 0 HG13 VAL A 67 -0.432 -7.586 -7.626 1.00 1.79 H new ATOM 0 HG21 VAL A 67 -1.098 -10.384 -6.468 1.00 1.73 H new ATOM 0 HG22 VAL A 67 0.475 -9.590 -6.221 1.00 1.73 H new ATOM 0 HG23 VAL A 67 -0.480 -10.128 -4.819 1.00 1.73 H new ATOM 954 N ILE A 68 -1.522 -6.223 -3.046 1.00 0.36 N ATOM 955 CA ILE A 68 -2.048 -6.068 -1.700 1.00 0.39 C ATOM 956 C ILE A 68 -3.538 -6.412 -1.698 1.00 0.41 C ATOM 957 O ILE A 68 -4.313 -5.838 -2.462 1.00 0.42 O ATOM 958 CB ILE A 68 -1.739 -4.670 -1.162 1.00 0.42 C ATOM 959 CG1 ILE A 68 -0.457 -4.676 -0.325 1.00 0.53 C ATOM 960 CG2 ILE A 68 -2.929 -4.107 -0.383 1.00 0.49 C ATOM 961 CD1 ILE A 68 0.783 -4.640 -1.221 1.00 0.56 C ATOM 0 H ILE A 68 -1.617 -5.398 -3.639 1.00 0.36 H new ATOM 0 HA ILE A 68 -1.559 -6.762 -1.017 1.00 0.39 H new ATOM 0 HB ILE A 68 -1.567 -4.008 -2.010 1.00 0.42 H new ATOM 0 HG12 ILE A 68 -0.451 -3.816 0.344 1.00 0.53 H new ATOM 0 HG13 ILE A 68 -0.432 -5.568 0.302 1.00 0.53 H new ATOM 0 HG21 ILE A 68 -2.683 -3.112 -0.011 1.00 0.49 H new ATOM 0 HG22 ILE A 68 -3.797 -4.045 -1.039 1.00 0.49 H new ATOM 0 HG23 ILE A 68 -3.156 -4.762 0.458 1.00 0.49 H new ATOM 0 HD11 ILE A 68 1.680 -4.645 -0.601 1.00 0.56 H new ATOM 0 HD12 ILE A 68 0.787 -5.514 -1.872 1.00 0.56 H new ATOM 0 HD13 ILE A 68 0.767 -3.735 -1.829 1.00 0.56 H new ATOM 973 N THR A 69 -3.896 -7.347 -0.831 1.00 0.46 N ATOM 974 CA THR A 69 -5.281 -7.774 -0.718 1.00 0.53 C ATOM 975 C THR A 69 -5.742 -7.706 0.738 1.00 0.58 C ATOM 976 O THR A 69 -5.432 -8.592 1.533 1.00 0.63 O ATOM 977 CB THR A 69 -5.395 -9.173 -1.327 1.00 0.62 C ATOM 978 OG1 THR A 69 -6.098 -8.963 -2.549 1.00 0.67 O ATOM 979 CG2 THR A 69 -6.316 -10.090 -0.520 1.00 0.70 C ATOM 0 H THR A 69 -3.251 -7.822 -0.199 1.00 0.46 H new ATOM 0 HA THR A 69 -5.947 -7.109 -1.268 1.00 0.53 H new ATOM 0 HB THR A 69 -4.404 -9.622 -1.393 1.00 0.62 H new ATOM 0 HG1 THR A 69 -6.215 -9.820 -3.011 1.00 0.67 H new ATOM 0 HG21 THR A 69 -6.361 -11.070 -0.995 1.00 0.70 H new ATOM 0 HG22 THR A 69 -5.927 -10.196 0.493 1.00 0.70 H new ATOM 0 HG23 THR A 69 -7.316 -9.659 -0.482 1.00 0.70 H new ATOM 987 N PRO A 70 -6.498 -6.619 1.052 1.00 0.64 N ATOM 988 CA PRO A 70 -7.006 -6.424 2.399 1.00 0.74 C ATOM 989 C PRO A 70 -8.180 -7.364 2.683 1.00 0.76 C ATOM 990 O PRO A 70 -9.074 -7.515 1.852 1.00 0.78 O ATOM 991 CB PRO A 70 -7.392 -4.956 2.466 1.00 0.85 C ATOM 992 CG PRO A 70 -7.521 -4.494 1.023 1.00 0.81 C ATOM 993 CD PRO A 70 -6.885 -5.550 0.136 1.00 0.66 C ATOM 0 HA PRO A 70 -6.269 -6.663 3.165 1.00 0.74 H new ATOM 0 HB2 PRO A 70 -8.330 -4.823 3.004 1.00 0.85 H new ATOM 0 HB3 PRO A 70 -6.636 -4.377 2.996 1.00 0.85 H new ATOM 0 HG2 PRO A 70 -8.569 -4.355 0.759 1.00 0.81 H new ATOM 0 HG3 PRO A 70 -7.027 -3.532 0.885 1.00 0.81 H new ATOM 0 HD2 PRO A 70 -7.586 -5.909 -0.618 1.00 0.66 H new ATOM 0 HD3 PRO A 70 -6.021 -5.152 -0.396 1.00 0.66 H new ATOM 1001 N ALA A 71 -8.139 -7.971 3.860 1.00 0.81 N ATOM 1002 CA ALA A 71 -9.187 -8.892 4.265 1.00 0.88 C ATOM 1003 C ALA A 71 -10.468 -8.105 4.552 1.00 1.03 C ATOM 1004 O ALA A 71 -11.560 -8.533 4.179 1.00 1.06 O ATOM 1005 CB ALA A 71 -8.718 -9.702 5.474 1.00 0.91 C ATOM 0 H ALA A 71 -7.396 -7.843 4.547 1.00 0.81 H new ATOM 0 HA ALA A 71 -9.406 -9.599 3.465 1.00 0.88 H new ATOM 0 HB1 ALA A 71 -9.505 -10.393 5.777 1.00 0.91 H new ATOM 0 HB2 ALA A 71 -7.823 -10.265 5.210 1.00 0.91 H new ATOM 0 HB3 ALA A 71 -8.491 -9.026 6.299 1.00 0.91 H new ATOM 1011 N SER A 72 -10.291 -6.970 5.211 1.00 1.21 N ATOM 1012 CA SER A 72 -11.420 -6.120 5.553 1.00 1.38 C ATOM 1013 C SER A 72 -11.885 -5.346 4.317 1.00 1.16 C ATOM 1014 O SER A 72 -11.070 -4.951 3.485 1.00 0.90 O ATOM 1015 CB SER A 72 -11.057 -5.151 6.680 1.00 1.53 C ATOM 1016 OG SER A 72 -12.207 -4.720 7.403 1.00 1.88 O ATOM 0 H SER A 72 -9.384 -6.619 5.517 1.00 1.21 H new ATOM 0 HA SER A 72 -12.233 -6.755 5.904 1.00 1.38 H new ATOM 0 HB2 SER A 72 -10.359 -5.635 7.363 1.00 1.53 H new ATOM 0 HB3 SER A 72 -10.545 -4.284 6.262 1.00 1.53 H new ATOM 0 HG SER A 72 -11.934 -4.104 8.115 1.00 1.88 H new ATOM 1022 N PRO A 73 -13.227 -5.148 4.236 1.00 1.30 N ATOM 1023 CA PRO A 73 -13.811 -4.430 3.116 1.00 1.20 C ATOM 1024 C PRO A 73 -13.562 -2.926 3.240 1.00 0.95 C ATOM 1025 O PRO A 73 -13.810 -2.336 4.291 1.00 1.02 O ATOM 1026 CB PRO A 73 -15.287 -4.792 3.142 1.00 1.51 C ATOM 1027 CG PRO A 73 -15.562 -5.322 4.540 1.00 1.72 C ATOM 1028 CD PRO A 73 -14.222 -5.602 5.203 1.00 1.62 C ATOM 0 HA PRO A 73 -13.364 -4.706 2.161 1.00 1.20 H new ATOM 0 HB2 PRO A 73 -15.906 -3.922 2.926 1.00 1.51 H new ATOM 0 HB3 PRO A 73 -15.518 -5.543 2.387 1.00 1.51 H new ATOM 0 HG2 PRO A 73 -16.130 -4.594 5.119 1.00 1.72 H new ATOM 0 HG3 PRO A 73 -16.162 -6.231 4.493 1.00 1.72 H new ATOM 0 HD2 PRO A 73 -14.128 -5.067 6.148 1.00 1.62 H new ATOM 0 HD3 PRO A 73 -14.104 -6.663 5.424 1.00 1.62 H new ATOM 1036 N LEU A 74 -13.074 -2.346 2.152 1.00 0.76 N ATOM 1037 CA LEU A 74 -12.788 -0.922 2.127 1.00 0.55 C ATOM 1038 C LEU A 74 -14.074 -0.153 1.817 1.00 0.53 C ATOM 1039 O LEU A 74 -14.647 -0.305 0.739 1.00 0.67 O ATOM 1040 CB LEU A 74 -11.644 -0.622 1.157 1.00 0.58 C ATOM 1041 CG LEU A 74 -10.329 -1.358 1.423 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.398 -1.272 0.213 1.00 0.71 C ATOM 1043 CD2 LEU A 74 -9.660 -0.840 2.699 1.00 0.52 C ATOM 0 H LEU A 74 -12.870 -2.837 1.282 1.00 0.76 H new ATOM 0 HA LEU A 74 -12.443 -0.586 3.105 1.00 0.55 H new ATOM 0 HB2 LEU A 74 -11.976 -0.866 0.148 1.00 0.58 H new ATOM 0 HB3 LEU A 74 -11.448 0.450 1.178 1.00 0.58 H new ATOM 0 HG LEU A 74 -10.554 -2.413 1.582 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.471 -1.803 0.429 1.00 0.71 H new ATOM 0 HD12 LEU A 74 -9.883 -1.725 -0.652 1.00 0.71 H new ATOM 0 HD13 LEU A 74 -9.176 -0.227 -0.002 1.00 0.71 H new ATOM 0 HD21 LEU A 74 -8.727 -1.379 2.866 1.00 0.52 H new ATOM 0 HD22 LEU A 74 -9.450 0.224 2.593 1.00 0.52 H new ATOM 0 HD23 LEU A 74 -10.326 -0.996 3.548 1.00 0.52 H new ATOM 1055 N THR A 75 -14.491 0.654 2.781 1.00 0.45 N ATOM 1056 CA THR A 75 -15.699 1.447 2.624 1.00 0.48 C ATOM 1057 C THR A 75 -15.346 2.890 2.261 1.00 0.47 C ATOM 1058 O THR A 75 -14.188 3.292 2.355 1.00 0.48 O ATOM 1059 CB THR A 75 -16.514 1.326 3.914 1.00 0.55 C ATOM 1060 OG1 THR A 75 -15.635 1.809 4.926 1.00 0.60 O ATOM 1061 CG2 THR A 75 -16.773 -0.129 4.309 1.00 0.56 C ATOM 0 H THR A 75 -14.014 0.776 3.674 1.00 0.45 H new ATOM 0 HA THR A 75 -16.310 1.079 1.800 1.00 0.48 H new ATOM 0 HB THR A 75 -17.465 1.844 3.792 1.00 0.55 H new ATOM 0 HG1 THR A 75 -16.084 1.768 5.796 1.00 0.60 H new ATOM 0 HG21 THR A 75 -17.355 -0.158 5.230 1.00 0.56 H new ATOM 0 HG22 THR A 75 -17.327 -0.629 3.514 1.00 0.56 H new ATOM 0 HG23 THR A 75 -15.822 -0.639 4.464 1.00 0.56 H new ATOM 1069 N ALA A 76 -16.368 3.630 1.853 1.00 0.49 N ATOM 1070 CA ALA A 76 -16.180 5.020 1.475 1.00 0.52 C ATOM 1071 C ALA A 76 -15.278 5.706 2.502 1.00 0.51 C ATOM 1072 O ALA A 76 -15.037 5.168 3.582 1.00 0.62 O ATOM 1073 CB ALA A 76 -17.543 5.704 1.348 1.00 0.59 C ATOM 0 H ALA A 76 -17.328 3.293 1.776 1.00 0.49 H new ATOM 0 HA ALA A 76 -15.688 5.090 0.505 1.00 0.52 H new ATOM 0 HB1 ALA A 76 -17.402 6.747 1.064 1.00 0.59 H new ATOM 0 HB2 ALA A 76 -18.135 5.198 0.585 1.00 0.59 H new ATOM 0 HB3 ALA A 76 -18.065 5.655 2.304 1.00 0.59 H new ATOM 1079 N GLY A 77 -14.801 6.885 2.130 1.00 0.50 N ATOM 1080 CA GLY A 77 -13.930 7.651 3.005 1.00 0.52 C ATOM 1081 C GLY A 77 -12.588 7.939 2.328 1.00 0.50 C ATOM 1082 O GLY A 77 -12.510 8.013 1.104 1.00 0.52 O ATOM 0 H GLY A 77 -15.002 7.329 1.234 1.00 0.50 H new ATOM 0 HA2 GLY A 77 -14.414 8.590 3.275 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -13.764 7.101 3.931 1.00 0.52 H new ATOM 1086 N THR A 78 -11.565 8.094 3.157 1.00 0.52 N ATOM 1087 CA THR A 78 -10.232 8.373 2.654 1.00 0.53 C ATOM 1088 C THR A 78 -9.197 7.509 3.380 1.00 0.50 C ATOM 1089 O THR A 78 -9.235 7.385 4.603 1.00 0.53 O ATOM 1090 CB THR A 78 -9.976 9.873 2.795 1.00 0.60 C ATOM 1091 OG1 THR A 78 -10.856 10.467 1.844 1.00 0.70 O ATOM 1092 CG2 THR A 78 -8.581 10.279 2.316 1.00 0.73 C ATOM 0 H THR A 78 -11.634 8.031 4.173 1.00 0.52 H new ATOM 0 HA THR A 78 -10.146 8.113 1.599 1.00 0.53 H new ATOM 0 HB THR A 78 -10.099 10.164 3.838 1.00 0.60 H new ATOM 0 HG1 THR A 78 -11.000 11.408 2.075 1.00 0.70 H new ATOM 0 HG21 THR A 78 -8.453 11.354 2.439 1.00 0.73 H new ATOM 0 HG22 THR A 78 -7.828 9.754 2.904 1.00 0.73 H new ATOM 0 HG23 THR A 78 -8.467 10.018 1.264 1.00 0.73 H new ATOM 1100 N TYR A 79 -8.297 6.936 2.594 1.00 0.48 N ATOM 1101 CA TYR A 79 -7.254 6.088 3.147 1.00 0.48 C ATOM 1102 C TYR A 79 -5.911 6.353 2.462 1.00 0.51 C ATOM 1103 O TYR A 79 -5.871 6.873 1.347 1.00 0.53 O ATOM 1104 CB TYR A 79 -7.685 4.648 2.860 1.00 0.45 C ATOM 1105 CG TYR A 79 -9.111 4.324 3.308 1.00 0.44 C ATOM 1106 CD1 TYR A 79 -10.184 4.914 2.672 1.00 1.86 C ATOM 1107 CD2 TYR A 79 -9.323 3.442 4.347 1.00 1.52 C ATOM 1108 CE1 TYR A 79 -11.528 4.609 3.094 1.00 1.86 C ATOM 1109 CE2 TYR A 79 -10.666 3.137 4.769 1.00 1.56 C ATOM 1110 CZ TYR A 79 -11.702 3.735 4.122 1.00 0.53 C ATOM 1111 OH TYR A 79 -12.970 3.447 4.520 1.00 0.61 O ATOM 0 H TYR A 79 -8.268 7.042 1.580 1.00 0.48 H new ATOM 0 HA TYR A 79 -7.126 6.281 4.212 1.00 0.48 H new ATOM 0 HB2 TYR A 79 -7.600 4.461 1.790 1.00 0.45 H new ATOM 0 HB3 TYR A 79 -6.995 3.967 3.358 1.00 0.45 H new ATOM 0 HD1 TYR A 79 -10.017 5.604 1.858 1.00 1.86 H new ATOM 0 HD2 TYR A 79 -8.483 2.980 4.844 1.00 1.52 H new ATOM 0 HE1 TYR A 79 -12.377 5.064 2.606 1.00 1.86 H new ATOM 0 HE2 TYR A 79 -10.846 2.449 5.581 1.00 1.56 H new ATOM 0 HH TYR A 79 -13.608 3.817 3.874 1.00 0.61 H new ATOM 1121 N LYS A 80 -4.846 5.983 3.156 1.00 0.61 N ATOM 1122 CA LYS A 80 -3.505 6.174 2.629 1.00 0.66 C ATOM 1123 C LYS A 80 -2.691 4.897 2.844 1.00 0.65 C ATOM 1124 O LYS A 80 -2.370 4.544 3.977 1.00 0.78 O ATOM 1125 CB LYS A 80 -2.864 7.423 3.236 1.00 0.79 C ATOM 1126 CG LYS A 80 -1.388 7.527 2.843 1.00 1.14 C ATOM 1127 CD LYS A 80 -0.540 8.015 4.020 1.00 1.84 C ATOM 1128 CE LYS A 80 0.597 8.917 3.539 1.00 2.19 C ATOM 1129 NZ LYS A 80 0.363 10.316 3.959 1.00 2.63 N ATOM 0 H LYS A 80 -4.884 5.552 4.079 1.00 0.61 H new ATOM 0 HA LYS A 80 -3.539 6.353 1.554 1.00 0.66 H new ATOM 0 HB2 LYS A 80 -3.398 8.311 2.898 1.00 0.79 H new ATOM 0 HB3 LYS A 80 -2.954 7.391 4.322 1.00 0.79 H new ATOM 0 HG2 LYS A 80 -1.027 6.554 2.509 1.00 1.14 H new ATOM 0 HG3 LYS A 80 -1.279 8.213 2.003 1.00 1.14 H new ATOM 0 HD2 LYS A 80 -1.168 8.560 4.724 1.00 1.84 H new ATOM 0 HD3 LYS A 80 -0.129 7.160 4.556 1.00 1.84 H new ATOM 0 HE2 LYS A 80 1.545 8.564 3.944 1.00 2.19 H new ATOM 0 HE3 LYS A 80 0.675 8.866 2.453 1.00 2.19 H new ATOM 0 HZ1 LYS A 80 1.145 10.914 3.624 1.00 2.63 H new ATOM 0 HZ2 LYS A 80 -0.532 10.656 3.552 1.00 2.63 H new ATOM 0 HZ3 LYS A 80 0.311 10.363 4.997 1.00 2.63 H new ATOM 1143 N VAL A 81 -2.379 4.238 1.737 1.00 0.56 N ATOM 1144 CA VAL A 81 -1.608 3.008 1.790 1.00 0.56 C ATOM 1145 C VAL A 81 -0.116 3.347 1.808 1.00 0.62 C ATOM 1146 O VAL A 81 0.427 3.830 0.816 1.00 0.69 O ATOM 1147 CB VAL A 81 -1.999 2.094 0.626 1.00 0.48 C ATOM 1148 CG1 VAL A 81 -0.968 0.981 0.432 1.00 0.76 C ATOM 1149 CG2 VAL A 81 -3.400 1.515 0.831 1.00 0.52 C ATOM 0 H VAL A 81 -2.647 4.533 0.798 1.00 0.56 H new ATOM 0 HA VAL A 81 -1.828 2.459 2.705 1.00 0.56 H new ATOM 0 HB VAL A 81 -2.015 2.696 -0.282 1.00 0.48 H new ATOM 0 HG11 VAL A 81 -1.270 0.346 -0.401 1.00 0.76 H new ATOM 0 HG12 VAL A 81 0.006 1.421 0.218 1.00 0.76 H new ATOM 0 HG13 VAL A 81 -0.904 0.382 1.340 1.00 0.76 H new ATOM 0 HG21 VAL A 81 -3.653 0.869 -0.010 1.00 0.52 H new ATOM 0 HG22 VAL A 81 -3.423 0.935 1.754 1.00 0.52 H new ATOM 0 HG23 VAL A 81 -4.124 2.328 0.896 1.00 0.52 H new ATOM 1159 N ASP A 82 0.505 3.080 2.948 1.00 0.68 N ATOM 1160 CA ASP A 82 1.924 3.350 3.109 1.00 0.74 C ATOM 1161 C ASP A 82 2.700 2.033 3.043 1.00 0.72 C ATOM 1162 O ASP A 82 2.513 1.156 3.885 1.00 0.94 O ATOM 1163 CB ASP A 82 2.209 4.001 4.464 1.00 1.05 C ATOM 1164 CG ASP A 82 1.375 5.246 4.772 1.00 1.31 C ATOM 1165 OD1 ASP A 82 0.122 5.023 4.985 1.00 1.85 O ATOM 1166 OD2 ASP A 82 1.896 6.371 4.808 1.00 2.40 O ATOM 0 H ASP A 82 0.051 2.679 3.769 1.00 0.68 H new ATOM 0 HA ASP A 82 2.232 4.027 2.312 1.00 0.74 H new ATOM 0 HB2 ASP A 82 2.036 3.264 5.248 1.00 1.05 H new ATOM 0 HB3 ASP A 82 3.265 4.270 4.506 1.00 1.05 H new ATOM 1171 N TRP A 83 3.554 1.936 2.035 1.00 0.56 N ATOM 1172 CA TRP A 83 4.360 0.742 1.849 1.00 0.64 C ATOM 1173 C TRP A 83 5.788 1.061 2.292 1.00 0.76 C ATOM 1174 O TRP A 83 6.290 2.157 2.041 1.00 0.55 O ATOM 1175 CB TRP A 83 4.278 0.245 0.404 1.00 0.61 C ATOM 1176 CG TRP A 83 4.409 1.354 -0.643 1.00 0.49 C ATOM 1177 CD1 TRP A 83 3.432 2.076 -1.205 1.00 0.49 C ATOM 1178 CD2 TRP A 83 5.633 1.837 -1.234 1.00 0.40 C ATOM 1179 NE1 TRP A 83 3.934 2.988 -2.112 1.00 0.41 N ATOM 1180 CE2 TRP A 83 5.315 2.838 -2.130 1.00 0.38 C ATOM 1181 CE3 TRP A 83 6.966 1.443 -1.018 1.00 0.42 C ATOM 1182 CZ2 TRP A 83 6.275 3.527 -2.881 1.00 0.43 C ATOM 1183 CZ3 TRP A 83 7.912 2.142 -1.777 1.00 0.46 C ATOM 1184 CH2 TRP A 83 7.608 3.152 -2.683 1.00 0.49 C ATOM 0 H TRP A 83 3.705 2.665 1.338 1.00 0.56 H new ATOM 0 HA TRP A 83 3.982 -0.078 2.460 1.00 0.64 H new ATOM 0 HB2 TRP A 83 5.064 -0.492 0.239 1.00 0.61 H new ATOM 0 HB3 TRP A 83 3.326 -0.267 0.260 1.00 0.61 H new ATOM 0 HD1 TRP A 83 2.383 1.960 -0.978 1.00 0.49 H new ATOM 0 HE1 TRP A 83 3.391 3.650 -2.667 1.00 0.41 H new ATOM 0 HE3 TRP A 83 7.238 0.663 -0.322 1.00 0.42 H new ATOM 0 HZ2 TRP A 83 6.001 4.307 -3.576 1.00 0.43 H new ATOM 0 HZ3 TRP A 83 8.952 1.878 -1.650 1.00 0.46 H new ATOM 0 HH2 TRP A 83 8.397 3.645 -3.231 1.00 0.49 H new ATOM 1195 N ARG A 84 6.405 0.086 2.942 1.00 1.24 N ATOM 1196 CA ARG A 84 7.767 0.249 3.422 1.00 1.44 C ATOM 1197 C ARG A 84 8.695 -0.760 2.741 1.00 1.50 C ATOM 1198 O ARG A 84 8.608 -1.960 2.998 1.00 1.61 O ATOM 1199 CB ARG A 84 7.843 0.059 4.937 1.00 1.49 C ATOM 1200 CG ARG A 84 7.266 1.271 5.672 1.00 1.70 C ATOM 1201 CD ARG A 84 5.851 0.982 6.178 1.00 2.08 C ATOM 1202 NE ARG A 84 5.417 2.052 7.104 1.00 2.53 N ATOM 1203 CZ ARG A 84 5.651 2.044 8.434 1.00 2.66 C ATOM 1204 NH1 ARG A 84 6.318 1.020 9.006 1.00 2.76 N ATOM 1205 NH2 ARG A 84 5.217 3.053 9.166 1.00 3.54 N ATOM 0 H ARG A 84 5.987 -0.821 3.148 1.00 1.24 H new ATOM 0 HA ARG A 84 8.085 1.263 3.178 1.00 1.44 H new ATOM 0 HB2 ARG A 84 7.295 -0.839 5.222 1.00 1.49 H new ATOM 0 HB3 ARG A 84 8.880 -0.092 5.236 1.00 1.49 H new ATOM 0 HG2 ARG A 84 7.910 1.532 6.512 1.00 1.70 H new ATOM 0 HG3 ARG A 84 7.248 2.132 5.004 1.00 1.70 H new ATOM 0 HD2 ARG A 84 5.161 0.916 5.337 1.00 2.08 H new ATOM 0 HD3 ARG A 84 5.827 0.018 6.686 1.00 2.08 H new ATOM 0 HE ARG A 84 4.909 2.845 6.713 1.00 2.53 H new ATOM 0 HH11 ARG A 84 6.650 0.244 8.433 1.00 2.76 H new ATOM 0 HH12 ARG A 84 6.490 1.022 10.011 1.00 2.76 H new ATOM 0 HH21 ARG A 84 4.713 3.823 8.726 1.00 3.54 H new ATOM 0 HH22 ARG A 84 5.385 3.063 10.172 1.00 3.54 H new ATOM 1219 N ALA A 85 9.561 -0.236 1.886 1.00 1.50 N ATOM 1220 CA ALA A 85 10.503 -1.077 1.166 1.00 1.57 C ATOM 1221 C ALA A 85 11.828 -1.118 1.930 1.00 1.73 C ATOM 1222 O ALA A 85 12.736 -0.337 1.649 1.00 1.18 O ATOM 1223 CB ALA A 85 10.669 -0.551 -0.261 1.00 1.69 C ATOM 0 H ALA A 85 9.630 0.760 1.676 1.00 1.50 H new ATOM 0 HA ALA A 85 10.130 -2.099 1.095 1.00 1.57 H new ATOM 0 HB1 ALA A 85 11.375 -1.181 -0.801 1.00 1.69 H new ATOM 0 HB2 ALA A 85 9.705 -0.568 -0.769 1.00 1.69 H new ATOM 0 HB3 ALA A 85 11.045 0.472 -0.230 1.00 1.69 H new ATOM 1229 N VAL A 86 11.898 -2.039 2.881 1.00 2.75 N ATOM 1230 CA VAL A 86 13.097 -2.192 3.688 1.00 3.05 C ATOM 1231 C VAL A 86 14.074 -3.125 2.968 1.00 3.24 C ATOM 1232 O VAL A 86 13.674 -4.161 2.440 1.00 3.41 O ATOM 1233 CB VAL A 86 12.726 -2.681 5.089 1.00 3.49 C ATOM 1234 CG1 VAL A 86 12.511 -4.197 5.102 1.00 4.08 C ATOM 1235 CG2 VAL A 86 13.786 -2.269 6.112 1.00 3.69 C ATOM 0 H VAL A 86 11.144 -2.686 3.110 1.00 2.75 H new ATOM 0 HA VAL A 86 13.597 -1.232 3.816 1.00 3.05 H new ATOM 0 HB VAL A 86 11.786 -2.207 5.371 1.00 3.49 H new ATOM 0 HG11 VAL A 86 12.248 -4.519 6.110 1.00 4.08 H new ATOM 0 HG12 VAL A 86 11.704 -4.456 4.417 1.00 4.08 H new ATOM 0 HG13 VAL A 86 13.427 -4.697 4.789 1.00 4.08 H new ATOM 0 HG21 VAL A 86 13.498 -2.629 7.100 1.00 3.69 H new ATOM 0 HG22 VAL A 86 14.747 -2.702 5.834 1.00 3.69 H new ATOM 0 HG23 VAL A 86 13.869 -1.182 6.132 1.00 3.69 H new ATOM 1245 N SER A 87 15.336 -2.723 2.970 1.00 3.43 N ATOM 1246 CA SER A 87 16.372 -3.510 2.324 1.00 3.73 C ATOM 1247 C SER A 87 17.717 -2.785 2.420 1.00 3.62 C ATOM 1248 O SER A 87 17.759 -1.581 2.672 1.00 4.82 O ATOM 1249 CB SER A 87 16.023 -3.787 0.860 1.00 3.70 C ATOM 1250 OG SER A 87 15.504 -2.631 0.208 1.00 4.30 O ATOM 0 H SER A 87 15.665 -1.863 3.409 1.00 3.43 H new ATOM 0 HA SER A 87 16.444 -4.468 2.840 1.00 3.73 H new ATOM 0 HB2 SER A 87 16.913 -4.131 0.334 1.00 3.70 H new ATOM 0 HB3 SER A 87 15.290 -4.592 0.808 1.00 3.70 H new ATOM 0 HG SER A 87 14.599 -2.818 -0.118 1.00 4.30 H new ATOM 1256 N SER A 88 18.780 -3.546 2.215 1.00 3.04 N ATOM 1257 CA SER A 88 20.122 -2.992 2.276 1.00 3.41 C ATOM 1258 C SER A 88 20.448 -2.568 3.709 1.00 3.76 C ATOM 1259 O SER A 88 19.695 -2.863 4.635 1.00 4.63 O ATOM 1260 CB SER A 88 20.270 -1.803 1.323 1.00 4.69 C ATOM 1261 OG SER A 88 21.186 -2.076 0.267 1.00 5.10 O ATOM 0 H SER A 88 18.740 -4.544 2.006 1.00 3.04 H new ATOM 0 HA SER A 88 20.826 -3.763 1.964 1.00 3.41 H new ATOM 0 HB2 SER A 88 19.296 -1.552 0.902 1.00 4.69 H new ATOM 0 HB3 SER A 88 20.610 -0.931 1.882 1.00 4.69 H new ATOM 0 HG SER A 88 21.251 -1.294 -0.320 1.00 5.10 H new ATOM 1267 N ASP A 89 21.572 -1.880 3.847 1.00 3.76 N ATOM 1268 CA ASP A 89 22.008 -1.412 5.151 1.00 4.29 C ATOM 1269 C ASP A 89 21.253 -0.129 5.506 1.00 4.11 C ATOM 1270 O ASP A 89 21.564 0.942 4.988 1.00 4.68 O ATOM 1271 CB ASP A 89 23.505 -1.095 5.152 1.00 5.25 C ATOM 1272 CG ASP A 89 24.098 -0.775 6.525 1.00 6.63 C ATOM 1273 OD1 ASP A 89 24.328 -1.741 7.283 1.00 7.25 O ATOM 1274 OD2 ASP A 89 24.307 0.430 6.786 1.00 7.40 O ATOM 0 H ASP A 89 22.194 -1.635 3.076 1.00 3.76 H new ATOM 0 HA ASP A 89 21.807 -2.200 5.876 1.00 4.29 H new ATOM 0 HB2 ASP A 89 24.041 -1.945 4.731 1.00 5.25 H new ATOM 0 HB3 ASP A 89 23.682 -0.247 4.490 1.00 5.25 H new ATOM 1279 N THR A 90 20.275 -0.280 6.387 1.00 4.20 N ATOM 1280 CA THR A 90 19.473 0.853 6.817 1.00 4.40 C ATOM 1281 C THR A 90 19.079 1.715 5.615 1.00 3.19 C ATOM 1282 O THR A 90 19.127 1.255 4.475 1.00 2.80 O ATOM 1283 CB THR A 90 20.266 1.617 7.878 1.00 5.86 C ATOM 1284 OG1 THR A 90 21.468 1.993 7.210 1.00 5.41 O ATOM 1285 CG2 THR A 90 20.740 0.715 9.020 1.00 6.95 C ATOM 0 H THR A 90 20.020 -1.170 6.815 1.00 4.20 H new ATOM 0 HA THR A 90 18.534 0.526 7.264 1.00 4.40 H new ATOM 0 HB THR A 90 19.649 2.419 8.283 1.00 5.86 H new ATOM 0 HG1 THR A 90 21.295 2.080 6.249 1.00 5.41 H new ATOM 0 HG21 THR A 90 21.297 1.308 9.745 1.00 6.95 H new ATOM 0 HG22 THR A 90 19.877 0.262 9.508 1.00 6.95 H new ATOM 0 HG23 THR A 90 21.384 -0.069 8.621 1.00 6.95 H new ATOM 1293 N HIS A 91 18.699 2.948 5.911 1.00 3.52 N ATOM 1294 CA HIS A 91 18.297 3.878 4.869 1.00 2.89 C ATOM 1295 C HIS A 91 17.362 3.172 3.885 1.00 2.25 C ATOM 1296 O HIS A 91 17.698 3.010 2.712 1.00 2.37 O ATOM 1297 CB HIS A 91 19.520 4.493 4.189 1.00 3.13 C ATOM 1298 CG HIS A 91 19.216 5.734 3.383 1.00 3.41 C ATOM 1299 ND1 HIS A 91 20.053 6.836 3.361 1.00 4.41 N ATOM 1300 CD2 HIS A 91 18.162 6.035 2.574 1.00 4.00 C ATOM 1301 CE1 HIS A 91 19.515 7.754 2.572 1.00 5.07 C ATOM 1302 NE2 HIS A 91 18.342 7.255 2.084 1.00 4.93 N ATOM 0 H HIS A 91 18.661 3.326 6.858 1.00 3.52 H new ATOM 0 HA HIS A 91 17.744 4.708 5.309 1.00 2.89 H new ATOM 0 HB2 HIS A 91 20.261 4.739 4.950 1.00 3.13 H new ATOM 0 HB3 HIS A 91 19.971 3.748 3.534 1.00 3.13 H new ATOM 0 HD2 HIS A 91 17.321 5.389 2.366 1.00 4.00 H new ATOM 0 HE1 HIS A 91 19.931 8.726 2.353 1.00 5.07 H new ATOM 0 HE2 HIS A 91 17.709 7.740 1.448 1.00 4.93 H new ATOM 1310 N PRO A 92 16.177 2.760 4.411 1.00 1.82 N ATOM 1311 CA PRO A 92 15.191 2.075 3.591 1.00 1.37 C ATOM 1312 C PRO A 92 14.477 3.057 2.659 1.00 1.22 C ATOM 1313 O PRO A 92 14.856 4.224 2.572 1.00 1.38 O ATOM 1314 CB PRO A 92 14.253 1.406 4.581 1.00 1.44 C ATOM 1315 CG PRO A 92 14.470 2.118 5.908 1.00 1.90 C ATOM 1316 CD PRO A 92 15.745 2.936 5.795 1.00 2.12 C ATOM 0 HA PRO A 92 15.637 1.337 2.925 1.00 1.37 H new ATOM 0 HB2 PRO A 92 13.216 1.493 4.256 1.00 1.44 H new ATOM 0 HB3 PRO A 92 14.472 0.342 4.668 1.00 1.44 H new ATOM 0 HG2 PRO A 92 13.622 2.763 6.138 1.00 1.90 H new ATOM 0 HG3 PRO A 92 14.551 1.395 6.720 1.00 1.90 H new ATOM 0 HD2 PRO A 92 15.563 3.986 6.023 1.00 2.12 H new ATOM 0 HD3 PRO A 92 16.504 2.585 6.494 1.00 2.12 H new ATOM 1324 N ILE A 93 13.456 2.547 1.986 1.00 1.09 N ATOM 1325 CA ILE A 93 12.686 3.363 1.064 1.00 0.99 C ATOM 1326 C ILE A 93 11.201 3.022 1.208 1.00 0.70 C ATOM 1327 O ILE A 93 10.781 1.911 0.890 1.00 0.95 O ATOM 1328 CB ILE A 93 13.217 3.207 -0.363 1.00 1.31 C ATOM 1329 CG1 ILE A 93 12.716 4.339 -1.261 1.00 2.55 C ATOM 1330 CG2 ILE A 93 12.869 1.829 -0.930 1.00 1.90 C ATOM 1331 CD1 ILE A 93 13.856 5.291 -1.630 1.00 3.76 C ATOM 0 H ILE A 93 13.144 1.579 2.061 1.00 1.09 H new ATOM 0 HA ILE A 93 12.797 4.420 1.306 1.00 0.99 H new ATOM 0 HB ILE A 93 14.304 3.277 -0.332 1.00 1.31 H new ATOM 0 HG12 ILE A 93 12.278 3.922 -2.168 1.00 2.55 H new ATOM 0 HG13 ILE A 93 11.927 4.891 -0.750 1.00 2.55 H new ATOM 0 HG21 ILE A 93 13.258 1.744 -1.945 1.00 1.90 H new ATOM 0 HG22 ILE A 93 13.315 1.055 -0.305 1.00 1.90 H new ATOM 0 HG23 ILE A 93 11.786 1.704 -0.945 1.00 1.90 H new ATOM 0 HD11 ILE A 93 13.473 6.087 -2.269 1.00 3.76 H new ATOM 0 HD12 ILE A 93 14.276 5.725 -0.722 1.00 3.76 H new ATOM 0 HD13 ILE A 93 14.632 4.740 -2.162 1.00 3.76 H new ATOM 1343 N THR A 94 10.446 4.001 1.687 1.00 0.58 N ATOM 1344 CA THR A 94 9.017 3.819 1.876 1.00 0.64 C ATOM 1345 C THR A 94 8.233 4.753 0.951 1.00 0.55 C ATOM 1346 O THR A 94 8.803 5.667 0.358 1.00 0.60 O ATOM 1347 CB THR A 94 8.706 4.032 3.359 1.00 1.00 C ATOM 1348 OG1 THR A 94 9.160 5.357 3.622 1.00 1.12 O ATOM 1349 CG2 THR A 94 9.568 3.156 4.269 1.00 1.21 C ATOM 0 H THR A 94 10.797 4.922 1.950 1.00 0.58 H new ATOM 0 HA THR A 94 8.708 2.810 1.605 1.00 0.64 H new ATOM 0 HB THR A 94 7.653 3.821 3.543 1.00 1.00 H new ATOM 0 HG1 THR A 94 8.995 5.579 4.562 1.00 1.12 H new ATOM 0 HG21 THR A 94 9.307 3.346 5.310 1.00 1.21 H new ATOM 0 HG22 THR A 94 9.392 2.106 4.037 1.00 1.21 H new ATOM 0 HG23 THR A 94 10.620 3.391 4.110 1.00 1.21 H new ATOM 1357 N GLY A 95 6.938 4.490 0.857 1.00 0.59 N ATOM 1358 CA GLY A 95 6.070 5.294 0.014 1.00 0.58 C ATOM 1359 C GLY A 95 4.646 5.331 0.570 1.00 0.65 C ATOM 1360 O GLY A 95 4.338 4.647 1.546 1.00 0.83 O ATOM 0 H GLY A 95 6.469 3.731 1.351 1.00 0.59 H new ATOM 0 HA2 GLY A 95 6.463 6.308 -0.056 1.00 0.58 H new ATOM 0 HA3 GLY A 95 6.059 4.886 -0.997 1.00 0.58 H new ATOM 1364 N SER A 96 3.813 6.136 -0.073 1.00 0.68 N ATOM 1365 CA SER A 96 2.428 6.270 0.345 1.00 0.78 C ATOM 1366 C SER A 96 1.533 6.498 -0.875 1.00 0.66 C ATOM 1367 O SER A 96 1.937 7.158 -1.831 1.00 0.70 O ATOM 1368 CB SER A 96 2.263 7.416 1.345 1.00 1.11 C ATOM 1369 OG SER A 96 3.519 7.893 1.822 1.00 1.40 O ATOM 0 H SER A 96 4.071 6.702 -0.881 1.00 0.68 H new ATOM 0 HA SER A 96 2.129 5.346 0.840 1.00 0.78 H new ATOM 0 HB2 SER A 96 1.720 8.234 0.872 1.00 1.11 H new ATOM 0 HB3 SER A 96 1.660 7.078 2.188 1.00 1.11 H new ATOM 0 HG SER A 96 3.371 8.625 2.457 1.00 1.40 H new ATOM 1375 N VAL A 97 0.334 5.939 -0.801 1.00 0.58 N ATOM 1376 CA VAL A 97 -0.621 6.073 -1.888 1.00 0.48 C ATOM 1377 C VAL A 97 -1.990 6.449 -1.314 1.00 0.51 C ATOM 1378 O VAL A 97 -2.709 5.592 -0.803 1.00 0.51 O ATOM 1379 CB VAL A 97 -0.654 4.788 -2.719 1.00 0.34 C ATOM 1380 CG1 VAL A 97 -1.229 5.050 -4.112 1.00 0.49 C ATOM 1381 CG2 VAL A 97 0.738 4.160 -2.809 1.00 0.44 C ATOM 0 H VAL A 97 0.002 5.393 -0.006 1.00 0.58 H new ATOM 0 HA VAL A 97 -0.320 6.873 -2.564 1.00 0.48 H new ATOM 0 HB VAL A 97 -1.310 4.079 -2.215 1.00 0.34 H new ATOM 0 HG11 VAL A 97 -1.241 4.121 -4.681 1.00 0.49 H new ATOM 0 HG12 VAL A 97 -2.246 5.432 -4.020 1.00 0.49 H new ATOM 0 HG13 VAL A 97 -0.611 5.784 -4.629 1.00 0.49 H new ATOM 0 HG21 VAL A 97 0.688 3.248 -3.404 1.00 0.44 H new ATOM 0 HG22 VAL A 97 1.425 4.864 -3.279 1.00 0.44 H new ATOM 0 HG23 VAL A 97 1.094 3.920 -1.807 1.00 0.44 H new ATOM 1391 N THR A 98 -2.309 7.730 -1.420 1.00 0.58 N ATOM 1392 CA THR A 98 -3.578 8.229 -0.918 1.00 0.62 C ATOM 1393 C THR A 98 -4.677 8.036 -1.963 1.00 0.54 C ATOM 1394 O THR A 98 -4.438 8.200 -3.159 1.00 0.54 O ATOM 1395 CB THR A 98 -3.381 9.690 -0.506 1.00 0.79 C ATOM 1396 OG1 THR A 98 -4.435 9.932 0.423 1.00 0.73 O ATOM 1397 CG2 THR A 98 -3.662 10.664 -1.651 1.00 0.85 C ATOM 0 H THR A 98 -1.711 8.438 -1.846 1.00 0.58 H new ATOM 0 HA THR A 98 -3.905 7.670 -0.041 1.00 0.62 H new ATOM 0 HB THR A 98 -2.361 9.833 -0.151 1.00 0.79 H new ATOM 0 HG1 THR A 98 -4.383 10.857 0.743 1.00 0.73 H new ATOM 0 HG21 THR A 98 -3.508 11.686 -1.305 1.00 0.85 H new ATOM 0 HG22 THR A 98 -2.986 10.455 -2.480 1.00 0.85 H new ATOM 0 HG23 THR A 98 -4.693 10.546 -1.985 1.00 0.85 H new ATOM 1405 N PHE A 99 -5.860 7.691 -1.476 1.00 0.53 N ATOM 1406 CA PHE A 99 -6.997 7.474 -2.353 1.00 0.47 C ATOM 1407 C PHE A 99 -8.315 7.621 -1.590 1.00 0.43 C ATOM 1408 O PHE A 99 -8.393 7.286 -0.409 1.00 0.42 O ATOM 1409 CB PHE A 99 -6.887 6.043 -2.884 1.00 0.41 C ATOM 1410 CG PHE A 99 -7.273 4.969 -1.864 1.00 0.39 C ATOM 1411 CD1 PHE A 99 -8.562 4.549 -1.775 1.00 1.75 C ATOM 1412 CD2 PHE A 99 -6.325 4.436 -1.046 1.00 1.67 C ATOM 1413 CE1 PHE A 99 -8.921 3.552 -0.829 1.00 1.74 C ATOM 1414 CE2 PHE A 99 -6.683 3.441 -0.100 1.00 1.69 C ATOM 1415 CZ PHE A 99 -7.974 3.019 -0.012 1.00 0.40 C ATOM 0 H PHE A 99 -6.055 7.556 -0.484 1.00 0.53 H new ATOM 0 HA PHE A 99 -6.990 8.209 -3.158 1.00 0.47 H new ATOM 0 HB2 PHE A 99 -7.525 5.942 -3.762 1.00 0.41 H new ATOM 0 HB3 PHE A 99 -5.863 5.866 -3.213 1.00 0.41 H new ATOM 0 HD1 PHE A 99 -9.314 4.973 -2.424 1.00 1.75 H new ATOM 0 HD2 PHE A 99 -5.300 4.770 -1.117 1.00 1.67 H new ATOM 0 HE1 PHE A 99 -9.946 3.218 -0.759 1.00 1.74 H new ATOM 0 HE2 PHE A 99 -5.931 3.019 0.550 1.00 1.69 H new ATOM 0 HZ PHE A 99 -8.246 2.261 0.707 1.00 0.40 H new ATOM 1425 N LYS A 100 -9.318 8.123 -2.295 1.00 0.44 N ATOM 1426 CA LYS A 100 -10.628 8.319 -1.699 1.00 0.43 C ATOM 1427 C LYS A 100 -11.526 7.130 -2.049 1.00 0.37 C ATOM 1428 O LYS A 100 -11.157 6.289 -2.866 1.00 0.41 O ATOM 1429 CB LYS A 100 -11.209 9.672 -2.114 1.00 0.55 C ATOM 1430 CG LYS A 100 -10.455 10.823 -1.445 1.00 0.65 C ATOM 1431 CD LYS A 100 -11.425 11.804 -0.784 1.00 1.44 C ATOM 1432 CE LYS A 100 -10.682 13.026 -0.240 1.00 1.65 C ATOM 1433 NZ LYS A 100 -11.638 14.000 0.332 1.00 2.54 N ATOM 0 H LYS A 100 -9.249 8.400 -3.274 1.00 0.44 H new ATOM 0 HA LYS A 100 -10.551 8.352 -0.612 1.00 0.43 H new ATOM 0 HB2 LYS A 100 -11.154 9.778 -3.197 1.00 0.55 H new ATOM 0 HB3 LYS A 100 -12.264 9.717 -1.842 1.00 0.55 H new ATOM 0 HG2 LYS A 100 -9.768 10.426 -0.698 1.00 0.65 H new ATOM 0 HG3 LYS A 100 -9.852 11.347 -2.187 1.00 0.65 H new ATOM 0 HD2 LYS A 100 -12.175 12.122 -1.508 1.00 1.44 H new ATOM 0 HD3 LYS A 100 -11.956 11.306 0.027 1.00 1.44 H new ATOM 0 HE2 LYS A 100 -9.969 12.715 0.524 1.00 1.65 H new ATOM 0 HE3 LYS A 100 -10.109 13.496 -1.039 1.00 1.65 H new ATOM 0 HZ1 LYS A 100 -11.118 14.823 0.697 1.00 2.54 H new ATOM 0 HZ2 LYS A 100 -12.302 14.309 -0.406 1.00 2.54 H new ATOM 0 HZ3 LYS A 100 -12.167 13.553 1.108 1.00 2.54 H new ATOM 1447 N VAL A 101 -12.688 7.100 -1.412 1.00 0.40 N ATOM 1448 CA VAL A 101 -13.641 6.029 -1.645 1.00 0.39 C ATOM 1449 C VAL A 101 -15.060 6.600 -1.621 1.00 0.48 C ATOM 1450 O VAL A 101 -15.458 7.240 -0.649 1.00 0.56 O ATOM 1451 CB VAL A 101 -13.430 4.909 -0.625 1.00 0.41 C ATOM 1452 CG1 VAL A 101 -14.321 3.705 -0.940 1.00 0.50 C ATOM 1453 CG2 VAL A 101 -11.957 4.497 -0.559 1.00 0.68 C ATOM 0 H VAL A 101 -12.990 7.800 -0.735 1.00 0.40 H new ATOM 0 HA VAL A 101 -13.485 5.587 -2.629 1.00 0.39 H new ATOM 0 HB VAL A 101 -13.716 5.291 0.355 1.00 0.41 H new ATOM 0 HG11 VAL A 101 -14.151 2.923 -0.200 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -15.367 4.010 -0.913 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -14.080 3.324 -1.932 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -11.835 3.699 0.174 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -11.634 4.143 -1.538 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -11.352 5.355 -0.266 1.00 0.68 H new ATOM 1463 N LYS A 102 -15.784 6.348 -2.701 1.00 0.64 N ATOM 1464 CA LYS A 102 -17.151 6.829 -2.815 1.00 0.77 C ATOM 1465 C LYS A 102 -18.073 5.656 -3.153 1.00 0.93 C ATOM 1466 O LYS A 102 -18.800 5.165 -2.291 1.00 1.47 O ATOM 1467 CB LYS A 102 -17.230 7.982 -3.818 1.00 0.76 C ATOM 1468 CG LYS A 102 -16.237 9.090 -3.460 1.00 0.71 C ATOM 1469 CD LYS A 102 -16.893 10.146 -2.569 1.00 1.08 C ATOM 1470 CE LYS A 102 -17.268 11.390 -3.377 1.00 1.89 C ATOM 1471 NZ LYS A 102 -16.212 12.421 -3.261 1.00 2.35 N ATOM 1472 OXT LYS A 102 -18.388 4.841 -2.289 1.00 1.07 O ATOM 0 H LYS A 102 -15.450 5.817 -3.505 1.00 0.64 H new ATOM 0 HA LYS A 102 -17.492 7.239 -1.864 1.00 0.77 H new ATOM 0 HB2 LYS A 102 -17.020 7.611 -4.821 1.00 0.76 H new ATOM 0 HB3 LYS A 102 -18.242 8.387 -3.833 1.00 0.76 H new ATOM 0 HG2 LYS A 102 -15.376 8.660 -2.948 1.00 0.71 H new ATOM 0 HG3 LYS A 102 -15.865 9.558 -4.371 1.00 0.71 H new ATOM 0 HD2 LYS A 102 -17.785 9.729 -2.102 1.00 1.08 H new ATOM 0 HD3 LYS A 102 -16.211 10.422 -1.765 1.00 1.08 H new ATOM 0 HE2 LYS A 102 -17.409 11.122 -4.424 1.00 1.89 H new ATOM 0 HE3 LYS A 102 -18.217 11.791 -3.020 1.00 1.89 H new ATOM 0 HZ1 LYS A 102 -16.482 13.259 -3.815 1.00 2.35 H new ATOM 0 HZ2 LYS A 102 -16.096 12.689 -2.263 1.00 2.35 H new ATOM 0 HZ3 LYS A 102 -15.314 12.041 -3.623 1.00 2.35 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.644 0.517 -4.881 1.00 1.21 CU