USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 715 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 61 THR OG1 : rot -173:sc= 0.61 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -1.77 K(o=-1.2,f=-2!) USER MOD Set 2.1: A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.347 (180deg=0.306) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 61:sc= 0.186 USER MOD Single : A 8 THR OG1 : rot -129:sc= -1.68! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0.553 (180deg=0.322) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 18:sc= 0.011 USER MOD Single : A 62 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.037) USER MOD Single : A 68 ASN : amide:sc= 0.267 K(o=0.27,f=-1.7!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 81:sc= 0.23 USER MOD Single : A 94 HIS : no HE2:sc= 0.106 K(o=0.11,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.356 -16.242 -17.100 1.00 2.44 N ATOM 2 CA MET A 1 -27.734 -16.498 -16.587 1.00 2.22 C ATOM 3 C MET A 1 -28.726 -16.485 -17.756 1.00 2.24 C ATOM 4 O MET A 1 -28.702 -15.602 -18.593 1.00 2.51 O ATOM 5 CB MET A 1 -28.121 -15.414 -15.576 1.00 2.41 C ATOM 6 CG MET A 1 -28.950 -16.042 -14.454 1.00 2.55 C ATOM 7 SD MET A 1 -28.261 -15.560 -12.853 1.00 2.93 S ATOM 8 CE MET A 1 -29.805 -14.985 -12.105 1.00 3.36 C ATOM 0 H1 MET A 1 -25.665 -16.417 -16.342 1.00 2.44 H new ATOM 0 H2 MET A 1 -26.160 -16.876 -17.900 1.00 2.44 H new ATOM 0 H3 MET A 1 -26.281 -15.254 -17.415 1.00 2.44 H new ATOM 0 HA MET A 1 -27.760 -17.472 -16.098 1.00 2.22 H new ATOM 0 HB2 MET A 1 -27.226 -14.948 -15.165 1.00 2.41 H new ATOM 0 HB3 MET A 1 -28.692 -14.628 -16.069 1.00 2.41 H new ATOM 0 HG2 MET A 1 -29.988 -15.717 -14.528 1.00 2.55 H new ATOM 0 HG3 MET A 1 -28.949 -17.128 -14.550 1.00 2.55 H new ATOM 0 HE1 MET A 1 -29.610 -14.635 -11.091 1.00 3.36 H new ATOM 0 HE2 MET A 1 -30.215 -14.168 -12.699 1.00 3.36 H new ATOM 0 HE3 MET A 1 -30.522 -15.806 -12.074 1.00 3.36 H new ATOM 20 N SER A 2 -29.595 -17.464 -17.817 1.00 2.24 N ATOM 21 CA SER A 2 -30.591 -17.526 -18.930 1.00 2.46 C ATOM 22 C SER A 2 -31.858 -16.754 -18.538 1.00 2.64 C ATOM 23 O SER A 2 -32.435 -16.983 -17.490 1.00 2.84 O ATOM 24 CB SER A 2 -30.944 -18.989 -19.206 1.00 2.61 C ATOM 25 OG SER A 2 -30.085 -19.493 -20.222 1.00 2.82 O ATOM 0 H SER A 2 -29.657 -18.225 -17.141 1.00 2.24 H new ATOM 0 HA SER A 2 -30.164 -17.076 -19.826 1.00 2.46 H new ATOM 0 HB2 SER A 2 -30.837 -19.580 -18.296 1.00 2.61 H new ATOM 0 HB3 SER A 2 -31.985 -19.072 -19.519 1.00 2.61 H new ATOM 0 HG SER A 2 -30.306 -20.431 -20.402 1.00 2.82 H new ATOM 31 N GLY A 3 -32.295 -15.843 -19.380 1.00 2.76 N ATOM 32 CA GLY A 3 -33.525 -15.052 -19.070 1.00 3.13 C ATOM 33 C GLY A 3 -33.164 -13.863 -18.174 1.00 3.23 C ATOM 34 O GLY A 3 -33.416 -13.881 -16.983 1.00 3.47 O ATOM 0 H GLY A 3 -31.849 -15.616 -20.269 1.00 2.76 H new ATOM 0 HA2 GLY A 3 -33.983 -14.698 -19.993 1.00 3.13 H new ATOM 0 HA3 GLY A 3 -34.260 -15.685 -18.572 1.00 3.13 H new ATOM 38 N GLY A 4 -32.575 -12.833 -18.738 1.00 3.22 N ATOM 39 CA GLY A 4 -32.193 -11.639 -17.923 1.00 3.45 C ATOM 40 C GLY A 4 -30.762 -11.228 -18.274 1.00 3.29 C ATOM 41 O GLY A 4 -30.533 -10.499 -19.222 1.00 3.75 O ATOM 0 H GLY A 4 -32.343 -12.770 -19.729 1.00 3.22 H new ATOM 0 HA2 GLY A 4 -32.879 -10.815 -18.119 1.00 3.45 H new ATOM 0 HA3 GLY A 4 -32.268 -11.870 -16.860 1.00 3.45 H new ATOM 45 N THR A 5 -29.800 -11.694 -17.511 1.00 2.81 N ATOM 46 CA THR A 5 -28.372 -11.342 -17.783 1.00 2.89 C ATOM 47 C THR A 5 -27.655 -12.541 -18.431 1.00 2.46 C ATOM 48 O THR A 5 -27.039 -13.349 -17.757 1.00 2.53 O ATOM 49 CB THR A 5 -27.682 -10.964 -16.460 1.00 2.97 C ATOM 50 OG1 THR A 5 -27.964 -11.948 -15.472 1.00 2.53 O ATOM 51 CG2 THR A 5 -28.198 -9.602 -15.987 1.00 3.52 C ATOM 0 H THR A 5 -29.946 -12.306 -16.708 1.00 2.81 H new ATOM 0 HA THR A 5 -28.327 -10.495 -18.467 1.00 2.89 H new ATOM 0 HB THR A 5 -26.605 -10.912 -16.618 1.00 2.97 H new ATOM 0 HG1 THR A 5 -27.623 -12.817 -15.770 1.00 2.53 H new ATOM 0 HG21 THR A 5 -27.710 -9.333 -15.050 1.00 3.52 H new ATOM 0 HG22 THR A 5 -27.976 -8.847 -16.741 1.00 3.52 H new ATOM 0 HG23 THR A 5 -29.276 -9.655 -15.833 1.00 3.52 H new ATOM 59 N ALA A 6 -27.729 -12.655 -19.741 1.00 2.17 N ATOM 60 CA ALA A 6 -27.052 -13.791 -20.452 1.00 1.97 C ATOM 61 C ALA A 6 -25.544 -13.529 -20.516 1.00 1.99 C ATOM 62 O ALA A 6 -25.113 -12.459 -20.910 1.00 2.15 O ATOM 63 CB ALA A 6 -27.600 -13.906 -21.876 1.00 2.00 C ATOM 0 H ALA A 6 -28.231 -12.007 -20.349 1.00 2.17 H new ATOM 0 HA ALA A 6 -27.243 -14.717 -19.910 1.00 1.97 H new ATOM 0 HB1 ALA A 6 -27.107 -14.731 -22.390 1.00 2.00 H new ATOM 0 HB2 ALA A 6 -28.674 -14.091 -21.839 1.00 2.00 H new ATOM 0 HB3 ALA A 6 -27.410 -12.978 -22.415 1.00 2.00 H new ATOM 69 N ALA A 7 -24.745 -14.505 -20.123 1.00 2.09 N ATOM 70 CA ALA A 7 -23.253 -14.336 -20.138 1.00 2.26 C ATOM 71 C ALA A 7 -22.908 -13.014 -19.446 1.00 2.20 C ATOM 72 O ALA A 7 -22.562 -12.033 -20.085 1.00 2.97 O ATOM 73 CB ALA A 7 -22.744 -14.324 -21.583 1.00 2.71 C ATOM 0 H ALA A 7 -25.068 -15.414 -19.792 1.00 2.09 H new ATOM 0 HA ALA A 7 -22.777 -15.164 -19.613 1.00 2.26 H new ATOM 0 HB1 ALA A 7 -21.661 -14.201 -21.586 1.00 2.71 H new ATOM 0 HB2 ALA A 7 -23.004 -15.265 -22.068 1.00 2.71 H new ATOM 0 HB3 ALA A 7 -23.205 -13.497 -22.124 1.00 2.71 H new ATOM 79 N THR A 8 -23.042 -12.974 -18.142 1.00 1.68 N ATOM 80 CA THR A 8 -22.772 -11.712 -17.390 1.00 1.94 C ATOM 81 C THR A 8 -21.798 -11.972 -16.238 1.00 1.62 C ATOM 82 O THR A 8 -21.771 -13.047 -15.657 1.00 1.57 O ATOM 83 CB THR A 8 -24.106 -11.182 -16.843 1.00 2.34 C ATOM 84 OG1 THR A 8 -24.977 -10.917 -17.933 1.00 2.90 O ATOM 85 CG2 THR A 8 -23.890 -9.892 -16.046 1.00 3.18 C ATOM 0 H THR A 8 -23.328 -13.765 -17.566 1.00 1.68 H new ATOM 0 HA THR A 8 -22.319 -10.977 -18.055 1.00 1.94 H new ATOM 0 HB THR A 8 -24.540 -11.932 -16.182 1.00 2.34 H new ATOM 0 HG1 THR A 8 -25.339 -10.010 -17.849 1.00 2.90 H new ATOM 0 HG21 THR A 8 -24.847 -9.534 -15.668 1.00 3.18 H new ATOM 0 HG22 THR A 8 -23.220 -10.089 -15.209 1.00 3.18 H new ATOM 0 HG23 THR A 8 -23.449 -9.134 -16.693 1.00 3.18 H new ATOM 93 N THR A 9 -21.005 -10.984 -15.903 1.00 2.12 N ATOM 94 CA THR A 9 -20.028 -11.132 -14.788 1.00 2.20 C ATOM 95 C THR A 9 -20.373 -10.116 -13.676 1.00 1.48 C ATOM 96 O THR A 9 -20.723 -8.981 -13.946 1.00 1.64 O ATOM 97 CB THR A 9 -18.611 -10.877 -15.329 1.00 3.25 C ATOM 98 OG1 THR A 9 -18.217 -11.974 -16.143 1.00 4.01 O ATOM 99 CG2 THR A 9 -17.628 -10.736 -14.169 1.00 3.65 C ATOM 0 H THR A 9 -20.995 -10.073 -16.362 1.00 2.12 H new ATOM 0 HA THR A 9 -20.074 -12.139 -14.373 1.00 2.20 H new ATOM 0 HB THR A 9 -18.611 -9.958 -15.915 1.00 3.25 H new ATOM 0 HG1 THR A 9 -17.315 -11.815 -16.492 1.00 4.01 H new ATOM 0 HG21 THR A 9 -16.627 -10.556 -14.560 1.00 3.65 H new ATOM 0 HG22 THR A 9 -17.927 -9.899 -13.538 1.00 3.65 H new ATOM 0 HG23 THR A 9 -17.627 -11.653 -13.579 1.00 3.65 H new ATOM 107 N ALA A 10 -20.283 -10.527 -12.430 1.00 1.43 N ATOM 108 CA ALA A 10 -20.609 -9.607 -11.292 1.00 1.25 C ATOM 109 C ALA A 10 -19.354 -8.829 -10.862 1.00 1.25 C ATOM 110 O ALA A 10 -18.488 -9.352 -10.181 1.00 1.97 O ATOM 111 CB ALA A 10 -21.141 -10.433 -10.114 1.00 2.16 C ATOM 0 H ALA A 10 -19.996 -11.466 -12.153 1.00 1.43 H new ATOM 0 HA ALA A 10 -21.368 -8.893 -11.611 1.00 1.25 H new ATOM 0 HB1 ALA A 10 -21.380 -9.769 -9.283 1.00 2.16 H new ATOM 0 HB2 ALA A 10 -22.040 -10.968 -10.421 1.00 2.16 H new ATOM 0 HB3 ALA A 10 -20.382 -11.149 -9.800 1.00 2.16 H new ATOM 117 N GLY A 11 -19.259 -7.582 -11.255 1.00 0.91 N ATOM 118 CA GLY A 11 -18.078 -6.755 -10.879 1.00 1.10 C ATOM 119 C GLY A 11 -18.294 -6.153 -9.490 1.00 0.87 C ATOM 120 O GLY A 11 -18.623 -4.989 -9.353 1.00 1.00 O ATOM 0 H GLY A 11 -19.956 -7.101 -11.824 1.00 0.91 H new ATOM 0 HA2 GLY A 11 -17.176 -7.367 -10.885 1.00 1.10 H new ATOM 0 HA3 GLY A 11 -17.929 -5.961 -11.611 1.00 1.10 H new ATOM 124 N SER A 12 -18.104 -6.942 -8.458 1.00 0.78 N ATOM 125 CA SER A 12 -18.283 -6.432 -7.070 1.00 0.70 C ATOM 126 C SER A 12 -16.905 -6.200 -6.442 1.00 0.60 C ATOM 127 O SER A 12 -16.554 -5.078 -6.114 1.00 0.63 O ATOM 128 CB SER A 12 -19.065 -7.456 -6.250 1.00 0.87 C ATOM 129 OG SER A 12 -20.440 -7.089 -6.228 1.00 1.36 O ATOM 0 H SER A 12 -17.831 -7.923 -8.523 1.00 0.78 H new ATOM 0 HA SER A 12 -18.836 -5.493 -7.086 1.00 0.70 H new ATOM 0 HB2 SER A 12 -18.949 -8.450 -6.682 1.00 0.87 H new ATOM 0 HB3 SER A 12 -18.673 -7.502 -5.234 1.00 0.87 H new ATOM 0 HG SER A 12 -20.945 -7.745 -5.704 1.00 1.36 H new ATOM 135 N LYS A 13 -16.120 -7.244 -6.286 1.00 0.56 N ATOM 136 CA LYS A 13 -14.754 -7.091 -5.690 1.00 0.49 C ATOM 137 C LYS A 13 -13.756 -7.972 -6.456 1.00 0.48 C ATOM 138 O LYS A 13 -14.108 -9.007 -6.998 1.00 0.65 O ATOM 139 CB LYS A 13 -14.775 -7.517 -4.214 1.00 0.55 C ATOM 140 CG LYS A 13 -15.884 -6.771 -3.461 1.00 0.65 C ATOM 141 CD LYS A 13 -15.372 -6.336 -2.082 1.00 0.68 C ATOM 142 CE LYS A 13 -15.931 -7.273 -1.008 1.00 1.13 C ATOM 143 NZ LYS A 13 -14.907 -7.473 0.057 1.00 1.82 N ATOM 0 H LYS A 13 -16.370 -8.198 -6.547 1.00 0.56 H new ATOM 0 HA LYS A 13 -14.452 -6.046 -5.760 1.00 0.49 H new ATOM 0 HB2 LYS A 13 -14.936 -8.593 -4.141 1.00 0.55 H new ATOM 0 HB3 LYS A 13 -13.809 -7.308 -3.754 1.00 0.55 H new ATOM 0 HG2 LYS A 13 -16.202 -5.899 -4.033 1.00 0.65 H new ATOM 0 HG3 LYS A 13 -16.757 -7.414 -3.349 1.00 0.65 H new ATOM 0 HD2 LYS A 13 -14.282 -6.356 -2.065 1.00 0.68 H new ATOM 0 HD3 LYS A 13 -15.676 -5.309 -1.877 1.00 0.68 H new ATOM 0 HE2 LYS A 13 -16.840 -6.851 -0.579 1.00 1.13 H new ATOM 0 HE3 LYS A 13 -16.203 -8.231 -1.451 1.00 1.13 H new ATOM 0 HZ1 LYS A 13 -15.285 -8.109 0.787 1.00 1.82 H new ATOM 0 HZ2 LYS A 13 -14.051 -7.893 -0.359 1.00 1.82 H new ATOM 0 HZ3 LYS A 13 -14.669 -6.556 0.486 1.00 1.82 H new ATOM 157 N VAL A 14 -12.509 -7.563 -6.492 1.00 0.36 N ATOM 158 CA VAL A 14 -11.455 -8.356 -7.205 1.00 0.39 C ATOM 159 C VAL A 14 -10.447 -8.903 -6.183 1.00 0.39 C ATOM 160 O VAL A 14 -10.005 -8.193 -5.295 1.00 0.46 O ATOM 161 CB VAL A 14 -10.721 -7.467 -8.224 1.00 0.40 C ATOM 162 CG1 VAL A 14 -11.635 -7.188 -9.418 1.00 0.45 C ATOM 163 CG2 VAL A 14 -10.315 -6.138 -7.573 1.00 0.44 C ATOM 0 H VAL A 14 -12.173 -6.705 -6.054 1.00 0.36 H new ATOM 0 HA VAL A 14 -11.929 -9.183 -7.733 1.00 0.39 H new ATOM 0 HB VAL A 14 -9.825 -7.988 -8.562 1.00 0.40 H new ATOM 0 HG11 VAL A 14 -11.112 -6.558 -10.137 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -11.911 -8.130 -9.893 1.00 0.45 H new ATOM 0 HG13 VAL A 14 -12.535 -6.677 -9.076 1.00 0.45 H new ATOM 0 HG21 VAL A 14 -9.796 -5.518 -8.304 1.00 0.44 H new ATOM 0 HG22 VAL A 14 -11.206 -5.617 -7.223 1.00 0.44 H new ATOM 0 HG23 VAL A 14 -9.654 -6.333 -6.729 1.00 0.44 H new ATOM 173 N THR A 15 -10.081 -10.159 -6.302 1.00 0.40 N ATOM 174 CA THR A 15 -9.102 -10.766 -5.339 1.00 0.42 C ATOM 175 C THR A 15 -7.700 -10.824 -5.972 1.00 0.37 C ATOM 176 O THR A 15 -7.555 -10.891 -7.181 1.00 0.46 O ATOM 177 CB THR A 15 -9.566 -12.181 -4.953 1.00 0.51 C ATOM 178 OG1 THR A 15 -8.703 -12.706 -3.952 1.00 0.61 O ATOM 179 CG2 THR A 15 -9.550 -13.102 -6.178 1.00 0.59 C ATOM 0 H THR A 15 -10.419 -10.792 -7.027 1.00 0.40 H new ATOM 0 HA THR A 15 -9.054 -10.148 -4.443 1.00 0.42 H new ATOM 0 HB THR A 15 -10.585 -12.125 -4.569 1.00 0.51 H new ATOM 0 HG1 THR A 15 -8.999 -13.607 -3.704 1.00 0.61 H new ATOM 0 HG21 THR A 15 -9.881 -14.099 -5.888 1.00 0.59 H new ATOM 0 HG22 THR A 15 -10.220 -12.705 -6.941 1.00 0.59 H new ATOM 0 HG23 THR A 15 -8.538 -13.158 -6.578 1.00 0.59 H new ATOM 187 N PHE A 16 -6.668 -10.799 -5.157 1.00 0.37 N ATOM 188 CA PHE A 16 -5.271 -10.851 -5.695 1.00 0.35 C ATOM 189 C PHE A 16 -4.429 -11.844 -4.886 1.00 0.34 C ATOM 190 O PHE A 16 -4.506 -11.894 -3.671 1.00 0.54 O ATOM 191 CB PHE A 16 -4.621 -9.466 -5.596 1.00 0.47 C ATOM 192 CG PHE A 16 -5.431 -8.448 -6.363 1.00 0.38 C ATOM 193 CD1 PHE A 16 -5.381 -8.421 -7.762 1.00 0.46 C ATOM 194 CD2 PHE A 16 -6.224 -7.522 -5.672 1.00 0.42 C ATOM 195 CE1 PHE A 16 -6.127 -7.472 -8.470 1.00 0.50 C ATOM 196 CE2 PHE A 16 -6.968 -6.573 -6.381 1.00 0.46 C ATOM 197 CZ PHE A 16 -6.918 -6.547 -7.779 1.00 0.46 C ATOM 0 H PHE A 16 -6.736 -10.745 -4.141 1.00 0.37 H new ATOM 0 HA PHE A 16 -5.316 -11.169 -6.737 1.00 0.35 H new ATOM 0 HB2 PHE A 16 -4.545 -9.167 -4.551 1.00 0.47 H new ATOM 0 HB3 PHE A 16 -3.606 -9.505 -5.991 1.00 0.47 H new ATOM 0 HD1 PHE A 16 -4.767 -9.132 -8.294 1.00 0.46 H new ATOM 0 HD2 PHE A 16 -6.261 -7.541 -4.593 1.00 0.42 H new ATOM 0 HE1 PHE A 16 -6.092 -7.453 -9.549 1.00 0.50 H new ATOM 0 HE2 PHE A 16 -7.581 -5.860 -5.849 1.00 0.46 H new ATOM 0 HZ PHE A 16 -7.491 -5.812 -8.326 1.00 0.46 H new ATOM 207 N LYS A 17 -3.608 -12.614 -5.557 1.00 0.27 N ATOM 208 CA LYS A 17 -2.729 -13.594 -4.851 1.00 0.26 C ATOM 209 C LYS A 17 -1.269 -13.210 -5.099 1.00 0.27 C ATOM 210 O LYS A 17 -0.740 -13.409 -6.178 1.00 0.35 O ATOM 211 CB LYS A 17 -2.988 -15.007 -5.387 1.00 0.34 C ATOM 212 CG LYS A 17 -3.549 -15.884 -4.263 1.00 0.78 C ATOM 213 CD LYS A 17 -4.333 -17.064 -4.855 1.00 1.28 C ATOM 214 CE LYS A 17 -5.340 -16.555 -5.896 1.00 2.09 C ATOM 215 NZ LYS A 17 -6.681 -17.165 -5.657 1.00 2.75 N ATOM 0 H LYS A 17 -3.509 -12.604 -6.572 1.00 0.27 H new ATOM 0 HA LYS A 17 -2.943 -13.578 -3.782 1.00 0.26 H new ATOM 0 HB2 LYS A 17 -3.692 -14.969 -6.219 1.00 0.34 H new ATOM 0 HB3 LYS A 17 -2.063 -15.437 -5.771 1.00 0.34 H new ATOM 0 HG2 LYS A 17 -2.735 -16.254 -3.640 1.00 0.78 H new ATOM 0 HG3 LYS A 17 -4.199 -15.292 -3.619 1.00 0.78 H new ATOM 0 HD2 LYS A 17 -3.646 -17.772 -5.318 1.00 1.28 H new ATOM 0 HD3 LYS A 17 -4.856 -17.599 -4.062 1.00 1.28 H new ATOM 0 HE2 LYS A 17 -5.412 -15.469 -5.842 1.00 2.09 H new ATOM 0 HE3 LYS A 17 -4.993 -16.802 -6.899 1.00 2.09 H new ATOM 0 HZ1 LYS A 17 -7.354 -16.813 -6.367 1.00 2.75 H new ATOM 0 HZ2 LYS A 17 -6.610 -18.200 -5.730 1.00 2.75 H new ATOM 0 HZ3 LYS A 17 -7.015 -16.908 -4.706 1.00 2.75 H new ATOM 229 N ILE A 18 -0.622 -12.646 -4.110 1.00 0.25 N ATOM 230 CA ILE A 18 0.801 -12.227 -4.282 1.00 0.30 C ATOM 231 C ILE A 18 1.725 -13.211 -3.553 1.00 0.28 C ATOM 232 O ILE A 18 1.631 -13.392 -2.354 1.00 0.38 O ATOM 233 CB ILE A 18 0.987 -10.816 -3.712 1.00 0.40 C ATOM 234 CG1 ILE A 18 0.014 -9.848 -4.401 1.00 0.47 C ATOM 235 CG2 ILE A 18 2.423 -10.350 -3.960 1.00 0.54 C ATOM 236 CD1 ILE A 18 -1.116 -9.484 -3.435 1.00 0.56 C ATOM 0 H ILE A 18 -1.019 -12.458 -3.190 1.00 0.25 H new ATOM 0 HA ILE A 18 1.054 -12.225 -5.342 1.00 0.30 H new ATOM 0 HB ILE A 18 0.787 -10.832 -2.641 1.00 0.40 H new ATOM 0 HG12 ILE A 18 0.542 -8.948 -4.715 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -0.396 -10.307 -5.300 1.00 0.47 H new ATOM 0 HG21 ILE A 18 2.555 -9.347 -3.555 1.00 0.54 H new ATOM 0 HG22 ILE A 18 3.117 -11.033 -3.471 1.00 0.54 H new ATOM 0 HG23 ILE A 18 2.621 -10.337 -5.032 1.00 0.54 H new ATOM 0 HD11 ILE A 18 -1.806 -8.797 -3.925 1.00 0.56 H new ATOM 0 HD12 ILE A 18 -1.650 -10.388 -3.143 1.00 0.56 H new ATOM 0 HD13 ILE A 18 -0.697 -9.007 -2.549 1.00 0.56 H new ATOM 248 N THR A 19 2.623 -13.836 -4.280 1.00 0.30 N ATOM 249 CA THR A 19 3.577 -14.805 -3.655 1.00 0.32 C ATOM 250 C THR A 19 4.997 -14.237 -3.763 1.00 0.35 C ATOM 251 O THR A 19 5.431 -13.838 -4.829 1.00 0.41 O ATOM 252 CB THR A 19 3.509 -16.155 -4.390 1.00 0.36 C ATOM 253 OG1 THR A 19 2.152 -16.541 -4.561 1.00 0.40 O ATOM 254 CG2 THR A 19 4.245 -17.226 -3.576 1.00 0.47 C ATOM 0 H THR A 19 2.735 -13.714 -5.286 1.00 0.30 H new ATOM 0 HA THR A 19 3.312 -14.957 -2.609 1.00 0.32 H new ATOM 0 HB THR A 19 3.982 -16.053 -5.366 1.00 0.36 H new ATOM 0 HG1 THR A 19 2.113 -17.400 -5.031 1.00 0.40 H new ATOM 0 HG21 THR A 19 4.194 -18.180 -4.100 1.00 0.47 H new ATOM 0 HG22 THR A 19 5.288 -16.935 -3.451 1.00 0.47 H new ATOM 0 HG23 THR A 19 3.776 -17.325 -2.597 1.00 0.47 H new ATOM 262 N LEU A 20 5.723 -14.195 -2.668 1.00 0.39 N ATOM 263 CA LEU A 20 7.117 -13.648 -2.705 1.00 0.45 C ATOM 264 C LEU A 20 7.995 -14.538 -3.593 1.00 0.48 C ATOM 265 O LEU A 20 8.316 -15.660 -3.240 1.00 0.53 O ATOM 266 CB LEU A 20 7.699 -13.603 -1.285 1.00 0.52 C ATOM 267 CG LEU A 20 8.065 -12.161 -0.922 1.00 0.58 C ATOM 268 CD1 LEU A 20 8.419 -12.082 0.565 1.00 0.67 C ATOM 269 CD2 LEU A 20 9.270 -11.711 -1.757 1.00 0.61 C ATOM 0 H LEU A 20 5.409 -14.516 -1.752 1.00 0.39 H new ATOM 0 HA LEU A 20 7.094 -12.638 -3.114 1.00 0.45 H new ATOM 0 HB2 LEU A 20 6.974 -13.995 -0.572 1.00 0.52 H new ATOM 0 HB3 LEU A 20 8.582 -14.239 -1.223 1.00 0.52 H new ATOM 0 HG LEU A 20 7.216 -11.510 -1.129 1.00 0.58 H new ATOM 0 HD11 LEU A 20 8.679 -11.055 0.823 1.00 0.67 H new ATOM 0 HD12 LEU A 20 7.563 -12.400 1.160 1.00 0.67 H new ATOM 0 HD13 LEU A 20 9.267 -12.735 0.772 1.00 0.67 H new ATOM 0 HD21 LEU A 20 9.529 -10.685 -1.498 1.00 0.61 H new ATOM 0 HD22 LEU A 20 10.119 -12.363 -1.551 1.00 0.61 H new ATOM 0 HD23 LEU A 20 9.019 -11.765 -2.816 1.00 0.61 H new ATOM 281 N THR A 21 8.382 -14.042 -4.745 1.00 0.52 N ATOM 282 CA THR A 21 9.241 -14.846 -5.668 1.00 0.59 C ATOM 283 C THR A 21 10.692 -14.848 -5.158 1.00 0.63 C ATOM 284 O THR A 21 11.436 -15.783 -5.397 1.00 0.71 O ATOM 285 CB THR A 21 9.177 -14.256 -7.089 1.00 0.65 C ATOM 286 OG1 THR A 21 9.929 -15.073 -7.976 1.00 0.74 O ATOM 287 CG2 THR A 21 9.743 -12.830 -7.103 1.00 0.69 C ATOM 0 H THR A 21 8.138 -13.112 -5.085 1.00 0.52 H new ATOM 0 HA THR A 21 8.875 -15.872 -5.697 1.00 0.59 H new ATOM 0 HB THR A 21 8.136 -14.224 -7.410 1.00 0.65 H new ATOM 0 HG1 THR A 21 9.887 -14.698 -8.881 1.00 0.74 H new ATOM 0 HG21 THR A 21 9.690 -12.428 -8.115 1.00 0.69 H new ATOM 0 HG22 THR A 21 9.160 -12.200 -6.431 1.00 0.69 H new ATOM 0 HG23 THR A 21 10.782 -12.848 -6.773 1.00 0.69 H new ATOM 295 N SER A 22 11.095 -13.813 -4.453 1.00 0.62 N ATOM 296 CA SER A 22 12.489 -13.751 -3.918 1.00 0.69 C ATOM 297 C SER A 22 12.588 -14.585 -2.633 1.00 0.70 C ATOM 298 O SER A 22 13.599 -15.213 -2.374 1.00 0.85 O ATOM 299 CB SER A 22 12.852 -12.297 -3.606 1.00 0.75 C ATOM 300 OG SER A 22 13.759 -11.816 -4.589 1.00 1.16 O ATOM 0 H SER A 22 10.512 -13.007 -4.226 1.00 0.62 H new ATOM 0 HA SER A 22 13.178 -14.149 -4.663 1.00 0.69 H new ATOM 0 HB2 SER A 22 11.953 -11.681 -3.592 1.00 0.75 H new ATOM 0 HB3 SER A 22 13.301 -12.227 -2.615 1.00 0.75 H new ATOM 0 HG SER A 22 13.991 -10.885 -4.392 1.00 1.16 H new ATOM 306 N ASP A 23 11.548 -14.589 -1.826 1.00 0.67 N ATOM 307 CA ASP A 23 11.575 -15.372 -0.554 1.00 0.69 C ATOM 308 C ASP A 23 10.614 -16.566 -0.654 1.00 0.64 C ATOM 309 O ASP A 23 9.408 -16.390 -0.657 1.00 0.68 O ATOM 310 CB ASP A 23 11.152 -14.468 0.609 1.00 0.79 C ATOM 311 CG ASP A 23 11.902 -14.883 1.878 1.00 0.99 C ATOM 312 OD1 ASP A 23 12.997 -14.384 2.084 1.00 1.49 O ATOM 313 OD2 ASP A 23 11.370 -15.694 2.619 1.00 1.45 O ATOM 0 H ASP A 23 10.681 -14.080 -1.999 1.00 0.67 H new ATOM 0 HA ASP A 23 12.586 -15.742 -0.381 1.00 0.69 H new ATOM 0 HB2 ASP A 23 11.367 -13.426 0.371 1.00 0.79 H new ATOM 0 HB3 ASP A 23 10.076 -14.543 0.769 1.00 0.79 H new ATOM 318 N PRO A 24 11.180 -17.752 -0.727 1.00 0.64 N ATOM 319 CA PRO A 24 10.403 -19.004 -0.821 1.00 0.67 C ATOM 320 C PRO A 24 9.825 -19.395 0.549 1.00 0.67 C ATOM 321 O PRO A 24 8.819 -20.078 0.630 1.00 0.75 O ATOM 322 CB PRO A 24 11.433 -20.032 -1.301 1.00 0.75 C ATOM 323 CG PRO A 24 12.822 -19.472 -0.916 1.00 0.78 C ATOM 324 CD PRO A 24 12.646 -17.955 -0.719 1.00 0.72 C ATOM 0 HA PRO A 24 9.546 -18.924 -1.490 1.00 0.67 H new ATOM 0 HB2 PRO A 24 11.262 -21.001 -0.832 1.00 0.75 H new ATOM 0 HB3 PRO A 24 11.360 -20.181 -2.378 1.00 0.75 H new ATOM 0 HG2 PRO A 24 13.189 -19.941 -0.003 1.00 0.78 H new ATOM 0 HG3 PRO A 24 13.553 -19.679 -1.697 1.00 0.78 H new ATOM 0 HD2 PRO A 24 13.088 -17.622 0.220 1.00 0.72 H new ATOM 0 HD3 PRO A 24 13.130 -17.392 -1.517 1.00 0.72 H new ATOM 332 N LYS A 25 10.452 -18.962 1.622 1.00 0.71 N ATOM 333 CA LYS A 25 9.947 -19.298 2.990 1.00 0.75 C ATOM 334 C LYS A 25 8.564 -18.668 3.201 1.00 0.67 C ATOM 335 O LYS A 25 7.639 -19.325 3.646 1.00 0.68 O ATOM 336 CB LYS A 25 10.921 -18.752 4.041 1.00 0.88 C ATOM 337 CG LYS A 25 10.807 -19.575 5.326 1.00 1.06 C ATOM 338 CD LYS A 25 9.794 -18.919 6.269 1.00 1.40 C ATOM 339 CE LYS A 25 10.431 -18.703 7.643 1.00 2.05 C ATOM 340 NZ LYS A 25 9.827 -17.503 8.294 1.00 2.63 N ATOM 0 H LYS A 25 11.295 -18.388 1.605 1.00 0.71 H new ATOM 0 HA LYS A 25 9.869 -20.381 3.090 1.00 0.75 H new ATOM 0 HB2 LYS A 25 11.942 -18.793 3.661 1.00 0.88 H new ATOM 0 HB3 LYS A 25 10.699 -17.705 4.247 1.00 0.88 H new ATOM 0 HG2 LYS A 25 10.494 -20.593 5.091 1.00 1.06 H new ATOM 0 HG3 LYS A 25 11.780 -19.645 5.813 1.00 1.06 H new ATOM 0 HD2 LYS A 25 9.464 -17.965 5.857 1.00 1.40 H new ATOM 0 HD3 LYS A 25 8.909 -19.549 6.363 1.00 1.40 H new ATOM 0 HE2 LYS A 25 10.279 -19.583 8.268 1.00 2.05 H new ATOM 0 HE3 LYS A 25 11.508 -18.569 7.538 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 10.262 -17.359 9.228 1.00 2.63 H new ATOM 0 HZ2 LYS A 25 9.994 -16.665 7.701 1.00 2.63 H new ATOM 0 HZ3 LYS A 25 8.803 -17.648 8.408 1.00 2.63 H new ATOM 354 N LEU A 26 8.420 -17.400 2.885 1.00 0.65 N ATOM 355 CA LEU A 26 7.103 -16.714 3.065 1.00 0.62 C ATOM 356 C LEU A 26 6.095 -17.237 2.026 1.00 0.53 C ATOM 357 O LEU A 26 6.396 -17.291 0.847 1.00 0.54 O ATOM 358 CB LEU A 26 7.287 -15.203 2.889 1.00 0.71 C ATOM 359 CG LEU A 26 7.668 -14.574 4.233 1.00 0.77 C ATOM 360 CD1 LEU A 26 8.772 -13.535 4.019 1.00 1.09 C ATOM 361 CD2 LEU A 26 6.438 -13.896 4.846 1.00 0.87 C ATOM 0 H LEU A 26 9.163 -16.811 2.509 1.00 0.65 H new ATOM 0 HA LEU A 26 6.723 -16.920 4.066 1.00 0.62 H new ATOM 0 HB2 LEU A 26 8.063 -15.004 2.150 1.00 0.71 H new ATOM 0 HB3 LEU A 26 6.367 -14.755 2.514 1.00 0.71 H new ATOM 0 HG LEU A 26 8.029 -15.351 4.907 1.00 0.77 H new ATOM 0 HD11 LEU A 26 9.042 -13.088 4.976 1.00 1.09 H new ATOM 0 HD12 LEU A 26 9.647 -14.018 3.584 1.00 1.09 H new ATOM 0 HD13 LEU A 26 8.414 -12.758 3.344 1.00 1.09 H new ATOM 0 HD21 LEU A 26 6.708 -13.448 5.802 1.00 0.87 H new ATOM 0 HD22 LEU A 26 6.076 -13.120 4.171 1.00 0.87 H new ATOM 0 HD23 LEU A 26 5.654 -14.637 5.001 1.00 0.87 H new ATOM 373 N PRO A 27 4.924 -17.610 2.504 1.00 0.51 N ATOM 374 CA PRO A 27 3.835 -18.141 1.651 1.00 0.50 C ATOM 375 C PRO A 27 3.121 -17.011 0.889 1.00 0.50 C ATOM 376 O PRO A 27 3.408 -15.842 1.074 1.00 0.68 O ATOM 377 CB PRO A 27 2.888 -18.808 2.653 1.00 0.59 C ATOM 378 CG PRO A 27 3.168 -18.150 4.025 1.00 0.65 C ATOM 379 CD PRO A 27 4.577 -17.537 3.940 1.00 0.60 C ATOM 0 HA PRO A 27 4.197 -18.826 0.885 1.00 0.50 H new ATOM 0 HB2 PRO A 27 1.848 -18.665 2.359 1.00 0.59 H new ATOM 0 HB3 PRO A 27 3.062 -19.883 2.695 1.00 0.59 H new ATOM 0 HG2 PRO A 27 2.425 -17.384 4.246 1.00 0.65 H new ATOM 0 HG3 PRO A 27 3.114 -18.887 4.826 1.00 0.65 H new ATOM 0 HD2 PRO A 27 4.585 -16.508 4.299 1.00 0.60 H new ATOM 0 HD3 PRO A 27 5.290 -18.093 4.550 1.00 0.60 H new ATOM 387 N PHE A 28 2.192 -17.364 0.029 1.00 0.44 N ATOM 388 CA PHE A 28 1.447 -16.331 -0.761 1.00 0.45 C ATOM 389 C PHE A 28 0.394 -15.638 0.121 1.00 0.40 C ATOM 390 O PHE A 28 0.040 -16.120 1.184 1.00 0.44 O ATOM 391 CB PHE A 28 0.762 -16.996 -1.967 1.00 0.51 C ATOM 392 CG PHE A 28 -0.352 -17.915 -1.509 1.00 0.48 C ATOM 393 CD1 PHE A 28 -1.654 -17.419 -1.359 1.00 0.56 C ATOM 394 CD2 PHE A 28 -0.083 -19.265 -1.243 1.00 0.57 C ATOM 395 CE1 PHE A 28 -2.683 -18.271 -0.941 1.00 0.66 C ATOM 396 CE2 PHE A 28 -1.114 -20.115 -0.826 1.00 0.65 C ATOM 397 CZ PHE A 28 -2.414 -19.618 -0.675 1.00 0.68 C ATOM 0 H PHE A 28 1.917 -18.328 -0.160 1.00 0.44 H new ATOM 0 HA PHE A 28 2.154 -15.581 -1.115 1.00 0.45 H new ATOM 0 HB2 PHE A 28 0.359 -16.231 -2.631 1.00 0.51 H new ATOM 0 HB3 PHE A 28 1.495 -17.563 -2.541 1.00 0.51 H new ATOM 0 HD1 PHE A 28 -1.863 -16.380 -1.566 1.00 0.56 H new ATOM 0 HD2 PHE A 28 0.920 -19.649 -1.360 1.00 0.57 H new ATOM 0 HE1 PHE A 28 -3.686 -17.888 -0.824 1.00 0.66 H new ATOM 0 HE2 PHE A 28 -0.906 -21.155 -0.621 1.00 0.65 H new ATOM 0 HZ PHE A 28 -3.209 -20.274 -0.353 1.00 0.68 H new ATOM 407 N LYS A 29 -0.107 -14.505 -0.321 1.00 0.43 N ATOM 408 CA LYS A 29 -1.136 -13.762 0.471 1.00 0.43 C ATOM 409 C LYS A 29 -2.344 -13.441 -0.420 1.00 0.37 C ATOM 410 O LYS A 29 -2.196 -12.980 -1.539 1.00 0.42 O ATOM 411 CB LYS A 29 -0.531 -12.456 0.997 1.00 0.57 C ATOM 412 CG LYS A 29 -0.085 -12.644 2.450 1.00 0.64 C ATOM 413 CD LYS A 29 1.429 -12.868 2.499 1.00 0.58 C ATOM 414 CE LYS A 29 1.808 -13.524 3.830 1.00 0.64 C ATOM 415 NZ LYS A 29 3.010 -14.384 3.638 1.00 0.81 N ATOM 0 H LYS A 29 0.156 -14.063 -1.202 1.00 0.43 H new ATOM 0 HA LYS A 29 -1.459 -14.379 1.309 1.00 0.43 H new ATOM 0 HB2 LYS A 29 0.319 -12.163 0.380 1.00 0.57 H new ATOM 0 HB3 LYS A 29 -1.264 -11.652 0.932 1.00 0.57 H new ATOM 0 HG2 LYS A 29 -0.352 -11.767 3.039 1.00 0.64 H new ATOM 0 HG3 LYS A 29 -0.603 -13.495 2.893 1.00 0.64 H new ATOM 0 HD2 LYS A 29 1.740 -13.501 1.668 1.00 0.58 H new ATOM 0 HD3 LYS A 29 1.951 -11.918 2.389 1.00 0.58 H new ATOM 0 HE2 LYS A 29 2.011 -12.759 4.579 1.00 0.64 H new ATOM 0 HE3 LYS A 29 0.976 -14.122 4.202 1.00 0.64 H new ATOM 0 HZ1 LYS A 29 3.033 -15.118 4.374 1.00 0.81 H new ATOM 0 HZ2 LYS A 29 2.969 -14.834 2.701 1.00 0.81 H new ATOM 0 HZ3 LYS A 29 3.868 -13.801 3.704 1.00 0.81 H new ATOM 429 N VAL A 30 -3.538 -13.678 0.075 1.00 0.38 N ATOM 430 CA VAL A 30 -4.767 -13.385 -0.727 1.00 0.38 C ATOM 431 C VAL A 30 -5.362 -12.045 -0.272 1.00 0.36 C ATOM 432 O VAL A 30 -5.598 -11.830 0.904 1.00 0.55 O ATOM 433 CB VAL A 30 -5.799 -14.506 -0.523 1.00 0.51 C ATOM 434 CG1 VAL A 30 -7.019 -14.254 -1.415 1.00 0.61 C ATOM 435 CG2 VAL A 30 -5.174 -15.856 -0.893 1.00 0.60 C ATOM 0 H VAL A 30 -3.712 -14.063 1.003 1.00 0.38 H new ATOM 0 HA VAL A 30 -4.507 -13.328 -1.784 1.00 0.38 H new ATOM 0 HB VAL A 30 -6.108 -14.520 0.522 1.00 0.51 H new ATOM 0 HG11 VAL A 30 -7.748 -15.051 -1.268 1.00 0.61 H new ATOM 0 HG12 VAL A 30 -7.470 -13.297 -1.153 1.00 0.61 H new ATOM 0 HG13 VAL A 30 -6.708 -14.235 -2.460 1.00 0.61 H new ATOM 0 HG21 VAL A 30 -5.908 -16.649 -0.747 1.00 0.60 H new ATOM 0 HG22 VAL A 30 -4.861 -15.838 -1.937 1.00 0.60 H new ATOM 0 HG23 VAL A 30 -4.308 -16.042 -0.258 1.00 0.60 H new ATOM 445 N LEU A 31 -5.600 -11.146 -1.197 1.00 0.29 N ATOM 446 CA LEU A 31 -6.175 -9.815 -0.835 1.00 0.32 C ATOM 447 C LEU A 31 -7.505 -9.610 -1.573 1.00 0.31 C ATOM 448 O LEU A 31 -7.536 -9.428 -2.778 1.00 0.38 O ATOM 449 CB LEU A 31 -5.188 -8.710 -1.230 1.00 0.39 C ATOM 450 CG LEU A 31 -4.626 -8.049 0.031 1.00 0.62 C ATOM 451 CD1 LEU A 31 -3.101 -7.968 -0.069 1.00 0.87 C ATOM 452 CD2 LEU A 31 -5.210 -6.638 0.166 1.00 1.08 C ATOM 0 H LEU A 31 -5.419 -11.279 -2.192 1.00 0.29 H new ATOM 0 HA LEU A 31 -6.352 -9.775 0.240 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -4.377 -9.129 -1.826 1.00 0.39 H new ATOM 0 HB3 LEU A 31 -5.688 -7.966 -1.851 1.00 0.39 H new ATOM 0 HG LEU A 31 -4.897 -8.640 0.906 1.00 0.62 H new ATOM 0 HD11 LEU A 31 -2.702 -7.497 0.829 1.00 0.87 H new ATOM 0 HD12 LEU A 31 -2.689 -8.972 -0.166 1.00 0.87 H new ATOM 0 HD13 LEU A 31 -2.825 -7.377 -0.942 1.00 0.87 H new ATOM 0 HD21 LEU A 31 -4.812 -6.164 1.063 1.00 1.08 H new ATOM 0 HD22 LEU A 31 -4.938 -6.046 -0.708 1.00 1.08 H new ATOM 0 HD23 LEU A 31 -6.296 -6.699 0.239 1.00 1.08 H new ATOM 464 N SER A 32 -8.603 -9.636 -0.852 1.00 0.34 N ATOM 465 CA SER A 32 -9.940 -9.442 -1.492 1.00 0.39 C ATOM 466 C SER A 32 -10.418 -8.005 -1.245 1.00 0.38 C ATOM 467 O SER A 32 -10.748 -7.633 -0.132 1.00 0.42 O ATOM 468 CB SER A 32 -10.946 -10.433 -0.896 1.00 0.49 C ATOM 469 OG SER A 32 -11.280 -11.410 -1.872 1.00 1.00 O ATOM 0 H SER A 32 -8.628 -9.784 0.157 1.00 0.34 H new ATOM 0 HA SER A 32 -9.859 -9.618 -2.565 1.00 0.39 H new ATOM 0 HB2 SER A 32 -10.521 -10.914 -0.015 1.00 0.49 H new ATOM 0 HB3 SER A 32 -11.843 -9.906 -0.571 1.00 0.49 H new ATOM 0 HG SER A 32 -11.922 -12.046 -1.492 1.00 1.00 H new ATOM 475 N VAL A 33 -10.450 -7.198 -2.279 1.00 0.37 N ATOM 476 CA VAL A 33 -10.900 -5.776 -2.129 1.00 0.37 C ATOM 477 C VAL A 33 -11.770 -5.380 -3.331 1.00 0.34 C ATOM 478 O VAL A 33 -11.691 -5.995 -4.376 1.00 0.34 O ATOM 479 CB VAL A 33 -9.676 -4.847 -2.060 1.00 0.38 C ATOM 480 CG1 VAL A 33 -8.950 -5.047 -0.728 1.00 0.52 C ATOM 481 CG2 VAL A 33 -8.718 -5.162 -3.217 1.00 0.45 C ATOM 0 H VAL A 33 -10.182 -7.465 -3.226 1.00 0.37 H new ATOM 0 HA VAL A 33 -11.480 -5.681 -1.211 1.00 0.37 H new ATOM 0 HB VAL A 33 -10.009 -3.812 -2.139 1.00 0.38 H new ATOM 0 HG11 VAL A 33 -8.084 -4.387 -0.683 1.00 0.52 H new ATOM 0 HG12 VAL A 33 -9.627 -4.814 0.094 1.00 0.52 H new ATOM 0 HG13 VAL A 33 -8.622 -6.083 -0.645 1.00 0.52 H new ATOM 0 HG21 VAL A 33 -7.853 -4.501 -3.163 1.00 0.45 H new ATOM 0 HG22 VAL A 33 -8.388 -6.198 -3.144 1.00 0.45 H new ATOM 0 HG23 VAL A 33 -9.232 -5.011 -4.166 1.00 0.45 H new ATOM 491 N PRO A 34 -12.569 -4.351 -3.149 1.00 0.35 N ATOM 492 CA PRO A 34 -13.461 -3.839 -4.210 1.00 0.35 C ATOM 493 C PRO A 34 -12.657 -3.080 -5.276 1.00 0.32 C ATOM 494 O PRO A 34 -11.544 -2.641 -5.036 1.00 0.33 O ATOM 495 CB PRO A 34 -14.416 -2.904 -3.460 1.00 0.39 C ATOM 496 CG PRO A 34 -13.694 -2.502 -2.154 1.00 0.41 C ATOM 497 CD PRO A 34 -12.651 -3.600 -1.877 1.00 0.40 C ATOM 0 HA PRO A 34 -13.987 -4.630 -4.745 1.00 0.35 H new ATOM 0 HB2 PRO A 34 -14.651 -2.025 -4.061 1.00 0.39 H new ATOM 0 HB3 PRO A 34 -15.360 -3.404 -3.244 1.00 0.39 H new ATOM 0 HG2 PRO A 34 -13.214 -1.529 -2.259 1.00 0.41 H new ATOM 0 HG3 PRO A 34 -14.401 -2.421 -1.329 1.00 0.41 H new ATOM 0 HD2 PRO A 34 -11.686 -3.173 -1.604 1.00 0.40 H new ATOM 0 HD3 PRO A 34 -12.960 -4.244 -1.053 1.00 0.40 H new ATOM 505 N GLU A 35 -13.220 -2.932 -6.453 1.00 0.32 N ATOM 506 CA GLU A 35 -12.510 -2.212 -7.560 1.00 0.33 C ATOM 507 C GLU A 35 -12.164 -0.776 -7.131 1.00 0.33 C ATOM 508 O GLU A 35 -11.189 -0.210 -7.591 1.00 0.40 O ATOM 509 CB GLU A 35 -13.412 -2.169 -8.800 1.00 0.37 C ATOM 510 CG GLU A 35 -13.334 -3.509 -9.543 1.00 0.40 C ATOM 511 CD GLU A 35 -14.443 -4.444 -9.044 1.00 0.45 C ATOM 512 OE1 GLU A 35 -15.548 -4.348 -9.555 1.00 0.66 O ATOM 513 OE2 GLU A 35 -14.168 -5.241 -8.163 1.00 0.51 O ATOM 0 H GLU A 35 -14.147 -3.281 -6.696 1.00 0.32 H new ATOM 0 HA GLU A 35 -11.587 -2.743 -7.791 1.00 0.33 H new ATOM 0 HB2 GLU A 35 -14.441 -1.965 -8.506 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -13.102 -1.358 -9.459 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -13.437 -3.347 -10.616 1.00 0.40 H new ATOM 0 HG3 GLU A 35 -12.359 -3.968 -9.382 1.00 0.40 H new ATOM 520 N SER A 36 -12.953 -0.189 -6.255 1.00 0.33 N ATOM 521 CA SER A 36 -12.676 1.207 -5.788 1.00 0.36 C ATOM 522 C SER A 36 -11.301 1.271 -5.105 1.00 0.35 C ATOM 523 O SER A 36 -10.561 2.221 -5.286 1.00 0.40 O ATOM 524 CB SER A 36 -13.757 1.641 -4.795 1.00 0.42 C ATOM 525 OG SER A 36 -14.591 2.619 -5.404 1.00 0.97 O ATOM 0 H SER A 36 -13.780 -0.622 -5.844 1.00 0.33 H new ATOM 0 HA SER A 36 -12.680 1.876 -6.649 1.00 0.36 H new ATOM 0 HB2 SER A 36 -14.351 0.780 -4.488 1.00 0.42 H new ATOM 0 HB3 SER A 36 -13.297 2.049 -3.895 1.00 0.42 H new ATOM 0 HG SER A 36 -15.285 2.897 -4.771 1.00 0.97 H new ATOM 531 N THR A 37 -10.956 0.268 -4.324 1.00 0.34 N ATOM 532 CA THR A 37 -9.628 0.266 -3.632 1.00 0.34 C ATOM 533 C THR A 37 -8.508 0.210 -4.685 1.00 0.30 C ATOM 534 O THR A 37 -8.513 -0.656 -5.540 1.00 0.32 O ATOM 535 CB THR A 37 -9.533 -0.952 -2.700 1.00 0.39 C ATOM 536 OG1 THR A 37 -10.413 -0.769 -1.598 1.00 0.50 O ATOM 537 CG2 THR A 37 -8.101 -1.109 -2.178 1.00 0.48 C ATOM 0 H THR A 37 -11.539 -0.548 -4.138 1.00 0.34 H new ATOM 0 HA THR A 37 -9.522 1.174 -3.039 1.00 0.34 H new ATOM 0 HB THR A 37 -9.811 -1.847 -3.257 1.00 0.39 H new ATOM 0 HG1 THR A 37 -10.357 -1.545 -1.002 1.00 0.50 H new ATOM 0 HG21 THR A 37 -8.047 -1.975 -1.519 1.00 0.48 H new ATOM 0 HG22 THR A 37 -7.421 -1.249 -3.018 1.00 0.48 H new ATOM 0 HG23 THR A 37 -7.815 -0.214 -1.625 1.00 0.48 H new ATOM 545 N PRO A 38 -7.587 1.145 -4.595 1.00 0.30 N ATOM 546 CA PRO A 38 -6.448 1.241 -5.532 1.00 0.31 C ATOM 547 C PRO A 38 -5.351 0.220 -5.186 1.00 0.30 C ATOM 548 O PRO A 38 -5.328 -0.353 -4.106 1.00 0.31 O ATOM 549 CB PRO A 38 -5.937 2.670 -5.330 1.00 0.38 C ATOM 550 CG PRO A 38 -6.417 3.113 -3.926 1.00 0.41 C ATOM 551 CD PRO A 38 -7.595 2.194 -3.552 1.00 0.36 C ATOM 0 HA PRO A 38 -6.735 1.028 -6.562 1.00 0.31 H new ATOM 0 HB2 PRO A 38 -4.850 2.707 -5.398 1.00 0.38 H new ATOM 0 HB3 PRO A 38 -6.327 3.334 -6.101 1.00 0.38 H new ATOM 0 HG2 PRO A 38 -5.612 3.027 -3.196 1.00 0.41 H new ATOM 0 HG3 PRO A 38 -6.728 4.158 -3.935 1.00 0.41 H new ATOM 0 HD2 PRO A 38 -7.466 1.767 -2.558 1.00 0.36 H new ATOM 0 HD3 PRO A 38 -8.538 2.740 -3.544 1.00 0.36 H new ATOM 559 N PHE A 39 -4.434 0.004 -6.102 1.00 0.30 N ATOM 560 CA PHE A 39 -3.321 -0.963 -5.850 1.00 0.31 C ATOM 561 C PHE A 39 -2.406 -0.428 -4.737 1.00 0.33 C ATOM 562 O PHE A 39 -1.649 -1.176 -4.149 1.00 0.37 O ATOM 563 CB PHE A 39 -2.509 -1.165 -7.135 1.00 0.33 C ATOM 564 CG PHE A 39 -1.863 -2.532 -7.115 1.00 0.35 C ATOM 565 CD1 PHE A 39 -2.659 -3.683 -7.060 1.00 0.39 C ATOM 566 CD2 PHE A 39 -0.468 -2.649 -7.150 1.00 0.49 C ATOM 567 CE1 PHE A 39 -2.061 -4.949 -7.041 1.00 0.46 C ATOM 568 CE2 PHE A 39 0.129 -3.914 -7.131 1.00 0.54 C ATOM 569 CZ PHE A 39 -0.667 -5.064 -7.077 1.00 0.48 C ATOM 0 H PHE A 39 -4.411 0.458 -7.015 1.00 0.30 H new ATOM 0 HA PHE A 39 -3.743 -1.918 -5.537 1.00 0.31 H new ATOM 0 HB2 PHE A 39 -3.157 -1.070 -8.006 1.00 0.33 H new ATOM 0 HB3 PHE A 39 -1.746 -0.392 -7.221 1.00 0.33 H new ATOM 0 HD1 PHE A 39 -3.735 -3.594 -7.032 1.00 0.39 H new ATOM 0 HD2 PHE A 39 0.147 -1.762 -7.192 1.00 0.49 H new ATOM 0 HE1 PHE A 39 -2.675 -5.836 -6.999 1.00 0.46 H new ATOM 0 HE2 PHE A 39 1.205 -4.003 -7.158 1.00 0.54 H new ATOM 0 HZ PHE A 39 -0.205 -6.040 -7.063 1.00 0.48 H new ATOM 579 N THR A 40 -2.478 0.853 -4.431 1.00 0.34 N ATOM 580 CA THR A 40 -1.628 1.423 -3.339 1.00 0.38 C ATOM 581 C THR A 40 -1.983 0.725 -2.022 1.00 0.38 C ATOM 582 O THR A 40 -1.115 0.326 -1.268 1.00 0.43 O ATOM 583 CB THR A 40 -1.885 2.932 -3.202 1.00 0.44 C ATOM 584 OG1 THR A 40 -3.286 3.181 -3.165 1.00 0.48 O ATOM 585 CG2 THR A 40 -1.268 3.671 -4.391 1.00 0.57 C ATOM 0 H THR A 40 -3.091 1.524 -4.894 1.00 0.34 H new ATOM 0 HA THR A 40 -0.576 1.265 -3.577 1.00 0.38 H new ATOM 0 HB THR A 40 -1.430 3.288 -2.278 1.00 0.44 H new ATOM 0 HG1 THR A 40 -3.445 4.144 -3.076 1.00 0.48 H new ATOM 0 HG21 THR A 40 -1.452 4.741 -4.290 1.00 0.57 H new ATOM 0 HG22 THR A 40 -0.194 3.489 -4.415 1.00 0.57 H new ATOM 0 HG23 THR A 40 -1.718 3.311 -5.316 1.00 0.57 H new ATOM 593 N ALA A 41 -3.262 0.564 -1.756 1.00 0.36 N ATOM 594 CA ALA A 41 -3.702 -0.120 -0.502 1.00 0.38 C ATOM 595 C ALA A 41 -3.497 -1.633 -0.650 1.00 0.35 C ATOM 596 O ALA A 41 -3.117 -2.304 0.292 1.00 0.37 O ATOM 597 CB ALA A 41 -5.182 0.175 -0.248 1.00 0.42 C ATOM 0 H ALA A 41 -4.021 0.880 -2.360 1.00 0.36 H new ATOM 0 HA ALA A 41 -3.113 0.247 0.339 1.00 0.38 H new ATOM 0 HB1 ALA A 41 -5.501 -0.325 0.667 1.00 0.42 H new ATOM 0 HB2 ALA A 41 -5.326 1.250 -0.143 1.00 0.42 H new ATOM 0 HB3 ALA A 41 -5.775 -0.190 -1.086 1.00 0.42 H new ATOM 603 N VAL A 42 -3.742 -2.170 -1.828 1.00 0.34 N ATOM 604 CA VAL A 42 -3.556 -3.642 -2.046 1.00 0.33 C ATOM 605 C VAL A 42 -2.083 -4.009 -1.808 1.00 0.34 C ATOM 606 O VAL A 42 -1.777 -4.942 -1.088 1.00 0.41 O ATOM 607 CB VAL A 42 -3.952 -4.006 -3.486 1.00 0.34 C ATOM 608 CG1 VAL A 42 -3.720 -5.499 -3.727 1.00 0.41 C ATOM 609 CG2 VAL A 42 -5.433 -3.684 -3.709 1.00 0.40 C ATOM 0 H VAL A 42 -4.062 -1.651 -2.645 1.00 0.34 H new ATOM 0 HA VAL A 42 -4.187 -4.195 -1.350 1.00 0.33 H new ATOM 0 HB VAL A 42 -3.342 -3.427 -4.179 1.00 0.34 H new ATOM 0 HG11 VAL A 42 -4.003 -5.751 -4.749 1.00 0.41 H new ATOM 0 HG12 VAL A 42 -2.667 -5.733 -3.574 1.00 0.41 H new ATOM 0 HG13 VAL A 42 -4.326 -6.078 -3.030 1.00 0.41 H new ATOM 0 HG21 VAL A 42 -5.712 -3.943 -4.730 1.00 0.40 H new ATOM 0 HG22 VAL A 42 -6.040 -4.260 -3.010 1.00 0.40 H new ATOM 0 HG23 VAL A 42 -5.603 -2.620 -3.545 1.00 0.40 H new ATOM 619 N LEU A 43 -1.175 -3.270 -2.406 1.00 0.35 N ATOM 620 CA LEU A 43 0.286 -3.547 -2.228 1.00 0.38 C ATOM 621 C LEU A 43 0.687 -3.304 -0.767 1.00 0.39 C ATOM 622 O LEU A 43 1.530 -3.998 -0.229 1.00 0.43 O ATOM 623 CB LEU A 43 1.092 -2.616 -3.143 1.00 0.41 C ATOM 624 CG LEU A 43 2.546 -3.098 -3.224 1.00 0.45 C ATOM 625 CD1 LEU A 43 3.018 -3.062 -4.680 1.00 0.51 C ATOM 626 CD2 LEU A 43 3.438 -2.182 -2.379 1.00 0.60 C ATOM 0 H LEU A 43 -1.388 -2.480 -3.015 1.00 0.35 H new ATOM 0 HA LEU A 43 0.492 -4.585 -2.487 1.00 0.38 H new ATOM 0 HB2 LEU A 43 0.649 -2.597 -4.139 1.00 0.41 H new ATOM 0 HB3 LEU A 43 1.058 -1.596 -2.760 1.00 0.41 H new ATOM 0 HG LEU A 43 2.609 -4.118 -2.846 1.00 0.45 H new ATOM 0 HD11 LEU A 43 4.051 -3.405 -4.736 1.00 0.51 H new ATOM 0 HD12 LEU A 43 2.386 -3.714 -5.284 1.00 0.51 H new ATOM 0 HD13 LEU A 43 2.953 -2.042 -5.058 1.00 0.51 H new ATOM 0 HD21 LEU A 43 4.471 -2.525 -2.437 1.00 0.60 H new ATOM 0 HD22 LEU A 43 3.373 -1.162 -2.757 1.00 0.60 H new ATOM 0 HD23 LEU A 43 3.105 -2.207 -1.341 1.00 0.60 H new ATOM 638 N LYS A 44 0.089 -2.323 -0.126 1.00 0.40 N ATOM 639 CA LYS A 44 0.428 -2.023 1.300 1.00 0.44 C ATOM 640 C LYS A 44 0.049 -3.213 2.189 1.00 0.40 C ATOM 641 O LYS A 44 0.852 -3.688 2.971 1.00 0.43 O ATOM 642 CB LYS A 44 -0.341 -0.780 1.757 1.00 0.50 C ATOM 643 CG LYS A 44 0.527 0.027 2.724 1.00 0.86 C ATOM 644 CD LYS A 44 -0.184 1.334 3.085 1.00 1.28 C ATOM 645 CE LYS A 44 0.716 2.519 2.733 1.00 1.78 C ATOM 646 NZ LYS A 44 -0.118 3.733 2.496 1.00 2.51 N ATOM 0 H LYS A 44 -0.622 -1.716 -0.534 1.00 0.40 H new ATOM 0 HA LYS A 44 1.500 -1.842 1.382 1.00 0.44 H new ATOM 0 HB2 LYS A 44 -0.610 -0.168 0.896 1.00 0.50 H new ATOM 0 HB3 LYS A 44 -1.271 -1.073 2.244 1.00 0.50 H new ATOM 0 HG2 LYS A 44 0.721 -0.554 3.626 1.00 0.86 H new ATOM 0 HG3 LYS A 44 1.494 0.241 2.268 1.00 0.86 H new ATOM 0 HD2 LYS A 44 -1.128 1.408 2.545 1.00 1.28 H new ATOM 0 HD3 LYS A 44 -0.423 1.349 4.148 1.00 1.28 H new ATOM 0 HE2 LYS A 44 1.422 2.704 3.542 1.00 1.78 H new ATOM 0 HE3 LYS A 44 1.303 2.290 1.843 1.00 1.78 H new ATOM 0 HZ1 LYS A 44 0.498 4.536 2.257 1.00 2.51 H new ATOM 0 HZ2 LYS A 44 -0.775 3.555 1.710 1.00 2.51 H new ATOM 0 HZ3 LYS A 44 -0.659 3.956 3.356 1.00 2.51 H new ATOM 660 N PHE A 45 -1.167 -3.695 2.072 1.00 0.39 N ATOM 661 CA PHE A 45 -1.610 -4.856 2.905 1.00 0.39 C ATOM 662 C PHE A 45 -0.746 -6.082 2.584 1.00 0.37 C ATOM 663 O PHE A 45 -0.298 -6.781 3.475 1.00 0.41 O ATOM 664 CB PHE A 45 -3.080 -5.170 2.603 1.00 0.45 C ATOM 665 CG PHE A 45 -3.797 -5.547 3.879 1.00 0.62 C ATOM 666 CD1 PHE A 45 -3.935 -4.611 4.912 1.00 0.91 C ATOM 667 CD2 PHE A 45 -4.324 -6.835 4.029 1.00 0.81 C ATOM 668 CE1 PHE A 45 -4.602 -4.963 6.092 1.00 1.19 C ATOM 669 CE2 PHE A 45 -4.993 -7.186 5.208 1.00 1.06 C ATOM 670 CZ PHE A 45 -5.130 -6.251 6.239 1.00 1.20 C ATOM 0 H PHE A 45 -1.873 -3.331 1.432 1.00 0.39 H new ATOM 0 HA PHE A 45 -1.501 -4.606 3.960 1.00 0.39 H new ATOM 0 HB2 PHE A 45 -3.560 -4.304 2.148 1.00 0.45 H new ATOM 0 HB3 PHE A 45 -3.146 -5.986 1.883 1.00 0.45 H new ATOM 0 HD1 PHE A 45 -3.527 -3.618 4.798 1.00 0.91 H new ATOM 0 HD2 PHE A 45 -4.215 -7.559 3.235 1.00 0.81 H new ATOM 0 HE1 PHE A 45 -4.709 -4.241 6.888 1.00 1.19 H new ATOM 0 HE2 PHE A 45 -5.403 -8.179 5.321 1.00 1.06 H new ATOM 0 HZ PHE A 45 -5.644 -6.523 7.149 1.00 1.20 H new ATOM 680 N ALA A 46 -0.501 -6.339 1.317 1.00 0.38 N ATOM 681 CA ALA A 46 0.343 -7.511 0.925 1.00 0.39 C ATOM 682 C ALA A 46 1.749 -7.358 1.519 1.00 0.37 C ATOM 683 O ALA A 46 2.306 -8.297 2.058 1.00 0.39 O ATOM 684 CB ALA A 46 0.435 -7.585 -0.602 1.00 0.46 C ATOM 0 H ALA A 46 -0.852 -5.783 0.537 1.00 0.38 H new ATOM 0 HA ALA A 46 -0.110 -8.426 1.306 1.00 0.39 H new ATOM 0 HB1 ALA A 46 1.050 -8.438 -0.889 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -0.564 -7.700 -1.022 1.00 0.46 H new ATOM 0 HB3 ALA A 46 0.885 -6.669 -0.984 1.00 0.46 H new ATOM 690 N ALA A 47 2.321 -6.176 1.427 1.00 0.38 N ATOM 691 CA ALA A 47 3.690 -5.942 1.987 1.00 0.39 C ATOM 692 C ALA A 47 3.661 -6.088 3.515 1.00 0.39 C ATOM 693 O ALA A 47 4.584 -6.615 4.108 1.00 0.44 O ATOM 694 CB ALA A 47 4.159 -4.531 1.618 1.00 0.42 C ATOM 0 H ALA A 47 1.894 -5.362 0.985 1.00 0.38 H new ATOM 0 HA ALA A 47 4.378 -6.677 1.569 1.00 0.39 H new ATOM 0 HB1 ALA A 47 5.155 -4.361 2.026 1.00 0.42 H new ATOM 0 HB2 ALA A 47 4.188 -4.429 0.533 1.00 0.42 H new ATOM 0 HB3 ALA A 47 3.467 -3.798 2.032 1.00 0.42 H new ATOM 700 N GLU A 48 2.604 -5.629 4.152 1.00 0.40 N ATOM 701 CA GLU A 48 2.500 -5.739 5.642 1.00 0.44 C ATOM 702 C GLU A 48 2.554 -7.216 6.054 1.00 0.44 C ATOM 703 O GLU A 48 3.259 -7.582 6.977 1.00 0.52 O ATOM 704 CB GLU A 48 1.175 -5.129 6.112 1.00 0.49 C ATOM 705 CG GLU A 48 1.439 -3.781 6.792 1.00 0.57 C ATOM 706 CD GLU A 48 1.331 -2.652 5.761 1.00 0.79 C ATOM 707 OE1 GLU A 48 0.233 -2.152 5.570 1.00 1.00 O ATOM 708 OE2 GLU A 48 2.347 -2.307 5.178 1.00 0.97 O ATOM 0 H GLU A 48 1.807 -5.182 3.699 1.00 0.40 H new ATOM 0 HA GLU A 48 3.330 -5.202 6.101 1.00 0.44 H new ATOM 0 HB2 GLU A 48 0.504 -4.994 5.263 1.00 0.49 H new ATOM 0 HB3 GLU A 48 0.678 -5.806 6.806 1.00 0.49 H new ATOM 0 HG2 GLU A 48 0.721 -3.622 7.596 1.00 0.57 H new ATOM 0 HG3 GLU A 48 2.430 -3.779 7.245 1.00 0.57 H new ATOM 715 N GLU A 49 1.819 -8.062 5.370 1.00 0.43 N ATOM 716 CA GLU A 49 1.822 -9.520 5.705 1.00 0.47 C ATOM 717 C GLU A 49 3.145 -10.161 5.254 1.00 0.45 C ATOM 718 O GLU A 49 3.575 -11.157 5.807 1.00 0.51 O ATOM 719 CB GLU A 49 0.654 -10.209 4.992 1.00 0.53 C ATOM 720 CG GLU A 49 -0.618 -10.082 5.839 1.00 0.60 C ATOM 721 CD GLU A 49 -1.455 -8.899 5.339 1.00 0.59 C ATOM 722 OE1 GLU A 49 -2.140 -9.062 4.340 1.00 0.74 O ATOM 723 OE2 GLU A 49 -1.398 -7.851 5.963 1.00 0.63 O ATOM 0 H GLU A 49 1.215 -7.802 4.590 1.00 0.43 H new ATOM 0 HA GLU A 49 1.717 -9.639 6.783 1.00 0.47 H new ATOM 0 HB2 GLU A 49 0.496 -9.758 4.012 1.00 0.53 H new ATOM 0 HB3 GLU A 49 0.887 -11.261 4.825 1.00 0.53 H new ATOM 0 HG2 GLU A 49 -1.199 -11.002 5.780 1.00 0.60 H new ATOM 0 HG3 GLU A 49 -0.356 -9.937 6.887 1.00 0.60 H new ATOM 730 N PHE A 50 3.790 -9.596 4.254 1.00 0.42 N ATOM 731 CA PHE A 50 5.084 -10.168 3.758 1.00 0.44 C ATOM 732 C PHE A 50 6.272 -9.641 4.584 1.00 0.46 C ATOM 733 O PHE A 50 7.412 -9.968 4.302 1.00 0.52 O ATOM 734 CB PHE A 50 5.278 -9.773 2.291 1.00 0.44 C ATOM 735 CG PHE A 50 4.745 -10.869 1.397 1.00 0.40 C ATOM 736 CD1 PHE A 50 5.270 -12.164 1.489 1.00 0.40 C ATOM 737 CD2 PHE A 50 3.727 -10.590 0.477 1.00 0.47 C ATOM 738 CE1 PHE A 50 4.778 -13.178 0.662 1.00 0.42 C ATOM 739 CE2 PHE A 50 3.235 -11.606 -0.350 1.00 0.48 C ATOM 740 CZ PHE A 50 3.761 -12.900 -0.257 1.00 0.43 C ATOM 0 H PHE A 50 3.473 -8.761 3.761 1.00 0.42 H new ATOM 0 HA PHE A 50 5.045 -11.253 3.858 1.00 0.44 H new ATOM 0 HB2 PHE A 50 4.760 -8.837 2.084 1.00 0.44 H new ATOM 0 HB3 PHE A 50 6.335 -9.604 2.086 1.00 0.44 H new ATOM 0 HD1 PHE A 50 6.055 -12.379 2.199 1.00 0.40 H new ATOM 0 HD2 PHE A 50 3.322 -9.591 0.406 1.00 0.47 H new ATOM 0 HE1 PHE A 50 5.183 -14.177 0.733 1.00 0.42 H new ATOM 0 HE2 PHE A 50 2.450 -11.392 -1.060 1.00 0.48 H new ATOM 0 HZ PHE A 50 3.381 -13.684 -0.895 1.00 0.43 H new ATOM 750 N LYS A 51 6.020 -8.834 5.594 1.00 0.46 N ATOM 751 CA LYS A 51 7.127 -8.282 6.442 1.00 0.51 C ATOM 752 C LYS A 51 8.053 -7.396 5.589 1.00 0.49 C ATOM 753 O LYS A 51 9.254 -7.351 5.795 1.00 0.56 O ATOM 754 CB LYS A 51 7.924 -9.438 7.068 1.00 0.61 C ATOM 755 CG LYS A 51 7.304 -9.815 8.418 1.00 0.90 C ATOM 756 CD LYS A 51 6.701 -11.223 8.338 1.00 1.02 C ATOM 757 CE LYS A 51 5.494 -11.322 9.277 1.00 1.64 C ATOM 758 NZ LYS A 51 4.788 -12.619 9.055 1.00 2.23 N ATOM 0 H LYS A 51 5.085 -8.533 5.867 1.00 0.46 H new ATOM 0 HA LYS A 51 6.700 -7.673 7.239 1.00 0.51 H new ATOM 0 HB2 LYS A 51 7.920 -10.300 6.401 1.00 0.61 H new ATOM 0 HB3 LYS A 51 8.965 -9.145 7.203 1.00 0.61 H new ATOM 0 HG2 LYS A 51 8.063 -9.778 9.200 1.00 0.90 H new ATOM 0 HG3 LYS A 51 6.533 -9.094 8.688 1.00 0.90 H new ATOM 0 HD2 LYS A 51 6.396 -11.441 7.314 1.00 1.02 H new ATOM 0 HD3 LYS A 51 7.450 -11.966 8.613 1.00 1.02 H new ATOM 0 HE2 LYS A 51 5.821 -11.248 10.314 1.00 1.64 H new ATOM 0 HE3 LYS A 51 4.812 -10.491 9.098 1.00 1.64 H new ATOM 0 HZ1 LYS A 51 3.970 -12.683 9.694 1.00 2.23 H new ATOM 0 HZ2 LYS A 51 4.462 -12.673 8.069 1.00 2.23 H new ATOM 0 HZ3 LYS A 51 5.440 -13.406 9.248 1.00 2.23 H new ATOM 772 N VAL A 52 7.493 -6.679 4.640 1.00 0.45 N ATOM 773 CA VAL A 52 8.319 -5.779 3.772 1.00 0.46 C ATOM 774 C VAL A 52 7.648 -4.397 3.684 1.00 0.46 C ATOM 775 O VAL A 52 6.448 -4.283 3.864 1.00 0.46 O ATOM 776 CB VAL A 52 8.452 -6.379 2.360 1.00 0.48 C ATOM 777 CG1 VAL A 52 9.291 -7.659 2.417 1.00 0.57 C ATOM 778 CG2 VAL A 52 7.066 -6.706 1.788 1.00 0.48 C ATOM 0 H VAL A 52 6.495 -6.680 4.430 1.00 0.45 H new ATOM 0 HA VAL A 52 9.313 -5.677 4.208 1.00 0.46 H new ATOM 0 HB VAL A 52 8.941 -5.649 1.716 1.00 0.48 H new ATOM 0 HG11 VAL A 52 9.382 -8.079 1.415 1.00 0.57 H new ATOM 0 HG12 VAL A 52 10.283 -7.427 2.805 1.00 0.57 H new ATOM 0 HG13 VAL A 52 8.806 -8.383 3.072 1.00 0.57 H new ATOM 0 HG21 VAL A 52 7.175 -7.129 0.790 1.00 0.48 H new ATOM 0 HG22 VAL A 52 6.566 -7.427 2.435 1.00 0.48 H new ATOM 0 HG23 VAL A 52 6.471 -5.794 1.733 1.00 0.48 H new ATOM 788 N PRO A 53 8.444 -3.388 3.407 1.00 0.49 N ATOM 789 CA PRO A 53 7.956 -1.999 3.280 1.00 0.53 C ATOM 790 C PRO A 53 7.253 -1.792 1.933 1.00 0.51 C ATOM 791 O PRO A 53 7.808 -2.067 0.884 1.00 0.52 O ATOM 792 CB PRO A 53 9.230 -1.158 3.374 1.00 0.61 C ATOM 793 CG PRO A 53 10.401 -2.092 2.986 1.00 0.63 C ATOM 794 CD PRO A 53 9.901 -3.535 3.193 1.00 0.55 C ATOM 0 HA PRO A 53 7.222 -1.733 4.041 1.00 0.53 H new ATOM 0 HB2 PRO A 53 9.179 -0.300 2.703 1.00 0.61 H new ATOM 0 HB3 PRO A 53 9.363 -0.767 4.383 1.00 0.61 H new ATOM 0 HG2 PRO A 53 10.699 -1.930 1.950 1.00 0.63 H new ATOM 0 HG3 PRO A 53 11.276 -1.893 3.604 1.00 0.63 H new ATOM 0 HD2 PRO A 53 10.115 -4.159 2.325 1.00 0.55 H new ATOM 0 HD3 PRO A 53 10.384 -4.005 4.050 1.00 0.55 H new ATOM 802 N ALA A 54 6.037 -1.305 1.965 1.00 0.53 N ATOM 803 CA ALA A 54 5.270 -1.067 0.700 1.00 0.56 C ATOM 804 C ALA A 54 5.926 0.062 -0.107 1.00 0.59 C ATOM 805 O ALA A 54 5.948 0.027 -1.325 1.00 0.67 O ATOM 806 CB ALA A 54 3.829 -0.677 1.044 1.00 0.62 C ATOM 0 H ALA A 54 5.538 -1.060 2.820 1.00 0.53 H new ATOM 0 HA ALA A 54 5.272 -1.980 0.104 1.00 0.56 H new ATOM 0 HB1 ALA A 54 3.270 -0.503 0.125 1.00 0.62 H new ATOM 0 HB2 ALA A 54 3.359 -1.482 1.608 1.00 0.62 H new ATOM 0 HB3 ALA A 54 3.832 0.233 1.644 1.00 0.62 H new ATOM 812 N ALA A 55 6.458 1.059 0.564 1.00 0.63 N ATOM 813 CA ALA A 55 7.118 2.199 -0.149 1.00 0.71 C ATOM 814 C ALA A 55 8.338 1.694 -0.933 1.00 0.68 C ATOM 815 O ALA A 55 8.633 2.184 -2.007 1.00 0.79 O ATOM 816 CB ALA A 55 7.571 3.246 0.873 1.00 0.81 C ATOM 0 H ALA A 55 6.462 1.131 1.581 1.00 0.63 H new ATOM 0 HA ALA A 55 6.405 2.645 -0.843 1.00 0.71 H new ATOM 0 HB1 ALA A 55 8.051 4.076 0.355 1.00 0.81 H new ATOM 0 HB2 ALA A 55 6.706 3.614 1.424 1.00 0.81 H new ATOM 0 HB3 ALA A 55 8.279 2.794 1.568 1.00 0.81 H new ATOM 822 N THR A 56 9.047 0.720 -0.403 1.00 0.61 N ATOM 823 CA THR A 56 10.249 0.181 -1.113 1.00 0.64 C ATOM 824 C THR A 56 9.963 -1.252 -1.599 1.00 0.58 C ATOM 825 O THR A 56 10.804 -2.131 -1.503 1.00 0.62 O ATOM 826 CB THR A 56 11.458 0.181 -0.159 1.00 0.72 C ATOM 827 OG1 THR A 56 11.412 1.329 0.682 1.00 0.82 O ATOM 828 CG2 THR A 56 12.754 0.202 -0.973 1.00 0.85 C ATOM 0 H THR A 56 8.842 0.277 0.492 1.00 0.61 H new ATOM 0 HA THR A 56 10.474 0.811 -1.973 1.00 0.64 H new ATOM 0 HB THR A 56 11.426 -0.718 0.456 1.00 0.72 H new ATOM 0 HG1 THR A 56 12.183 1.322 1.287 1.00 0.82 H new ATOM 0 HG21 THR A 56 13.609 0.202 -0.296 1.00 0.85 H new ATOM 0 HG22 THR A 56 12.797 -0.680 -1.612 1.00 0.85 H new ATOM 0 HG23 THR A 56 12.781 1.099 -1.591 1.00 0.85 H new ATOM 836 N SER A 57 8.783 -1.489 -2.128 1.00 0.55 N ATOM 837 CA SER A 57 8.437 -2.857 -2.626 1.00 0.51 C ATOM 838 C SER A 57 7.440 -2.758 -3.785 1.00 0.47 C ATOM 839 O SER A 57 6.617 -1.862 -3.842 1.00 0.53 O ATOM 840 CB SER A 57 7.820 -3.680 -1.493 1.00 0.57 C ATOM 841 OG SER A 57 7.623 -5.018 -1.932 1.00 0.63 O ATOM 0 H SER A 57 8.046 -0.792 -2.235 1.00 0.55 H new ATOM 0 HA SER A 57 9.347 -3.345 -2.976 1.00 0.51 H new ATOM 0 HB2 SER A 57 8.473 -3.665 -0.621 1.00 0.57 H new ATOM 0 HB3 SER A 57 6.870 -3.243 -1.187 1.00 0.57 H new ATOM 0 HG SER A 57 8.164 -5.183 -2.732 1.00 0.63 H new ATOM 847 N ALA A 58 7.513 -3.690 -4.703 1.00 0.45 N ATOM 848 CA ALA A 58 6.583 -3.692 -5.874 1.00 0.44 C ATOM 849 C ALA A 58 5.970 -5.088 -6.040 1.00 0.39 C ATOM 850 O ALA A 58 6.353 -6.031 -5.369 1.00 0.40 O ATOM 851 CB ALA A 58 7.361 -3.320 -7.140 1.00 0.49 C ATOM 0 H ALA A 58 8.185 -4.458 -4.690 1.00 0.45 H new ATOM 0 HA ALA A 58 5.787 -2.966 -5.709 1.00 0.44 H new ATOM 0 HB1 ALA A 58 6.686 -3.321 -7.996 1.00 0.49 H new ATOM 0 HB2 ALA A 58 7.796 -2.327 -7.022 1.00 0.49 H new ATOM 0 HB3 ALA A 58 8.156 -4.047 -7.305 1.00 0.49 H new ATOM 857 N ILE A 59 5.021 -5.224 -6.933 1.00 0.38 N ATOM 858 CA ILE A 59 4.376 -6.552 -7.157 1.00 0.36 C ATOM 859 C ILE A 59 4.407 -6.878 -8.653 1.00 0.36 C ATOM 860 O ILE A 59 3.891 -6.138 -9.465 1.00 0.42 O ATOM 861 CB ILE A 59 2.923 -6.505 -6.652 1.00 0.36 C ATOM 862 CG1 ILE A 59 2.914 -6.681 -5.128 1.00 0.40 C ATOM 863 CG2 ILE A 59 2.094 -7.625 -7.298 1.00 0.37 C ATOM 864 CD1 ILE A 59 1.548 -6.276 -4.569 1.00 0.45 C ATOM 0 H ILE A 59 4.665 -4.468 -7.518 1.00 0.38 H new ATOM 0 HA ILE A 59 4.915 -7.326 -6.611 1.00 0.36 H new ATOM 0 HB ILE A 59 2.485 -5.544 -6.921 1.00 0.36 H new ATOM 0 HG12 ILE A 59 3.130 -7.718 -4.871 1.00 0.40 H new ATOM 0 HG13 ILE A 59 3.697 -6.071 -4.677 1.00 0.40 H new ATOM 0 HG21 ILE A 59 1.069 -7.578 -6.930 1.00 0.37 H new ATOM 0 HG22 ILE A 59 2.097 -7.501 -8.381 1.00 0.37 H new ATOM 0 HG23 ILE A 59 2.527 -8.592 -7.042 1.00 0.37 H new ATOM 0 HD11 ILE A 59 1.546 -6.403 -3.486 1.00 0.45 H new ATOM 0 HD12 ILE A 59 1.350 -5.232 -4.813 1.00 0.45 H new ATOM 0 HD13 ILE A 59 0.774 -6.904 -5.009 1.00 0.45 H new ATOM 876 N ILE A 60 4.999 -7.989 -9.019 1.00 0.35 N ATOM 877 CA ILE A 60 5.055 -8.372 -10.465 1.00 0.37 C ATOM 878 C ILE A 60 3.943 -9.387 -10.770 1.00 0.35 C ATOM 879 O ILE A 60 3.249 -9.846 -9.882 1.00 0.37 O ATOM 880 CB ILE A 60 6.423 -8.989 -10.798 1.00 0.40 C ATOM 881 CG1 ILE A 60 6.671 -10.222 -9.920 1.00 0.42 C ATOM 882 CG2 ILE A 60 7.528 -7.958 -10.551 1.00 0.46 C ATOM 883 CD1 ILE A 60 7.217 -11.363 -10.782 1.00 0.60 C ATOM 0 H ILE A 60 5.445 -8.647 -8.380 1.00 0.35 H new ATOM 0 HA ILE A 60 4.913 -7.480 -11.075 1.00 0.37 H new ATOM 0 HB ILE A 60 6.430 -9.288 -11.846 1.00 0.40 H new ATOM 0 HG12 ILE A 60 7.379 -9.980 -9.127 1.00 0.42 H new ATOM 0 HG13 ILE A 60 5.744 -10.529 -9.436 1.00 0.42 H new ATOM 0 HG21 ILE A 60 8.496 -8.399 -10.788 1.00 0.46 H new ATOM 0 HG22 ILE A 60 7.361 -7.087 -11.184 1.00 0.46 H new ATOM 0 HG23 ILE A 60 7.514 -7.654 -9.504 1.00 0.46 H new ATOM 0 HD11 ILE A 60 7.393 -12.239 -10.157 1.00 0.60 H new ATOM 0 HD12 ILE A 60 6.493 -11.611 -11.559 1.00 0.60 H new ATOM 0 HD13 ILE A 60 8.154 -11.053 -11.245 1.00 0.60 H new ATOM 895 N THR A 61 3.772 -9.736 -12.021 1.00 0.40 N ATOM 896 CA THR A 61 2.711 -10.722 -12.396 1.00 0.40 C ATOM 897 C THR A 61 3.366 -12.070 -12.734 1.00 0.43 C ATOM 898 O THR A 61 4.525 -12.130 -13.107 1.00 0.51 O ATOM 899 CB THR A 61 1.927 -10.196 -13.612 1.00 0.43 C ATOM 900 OG1 THR A 61 1.465 -8.878 -13.343 1.00 0.46 O ATOM 901 CG2 THR A 61 0.724 -11.103 -13.894 1.00 0.48 C ATOM 0 H THR A 61 4.323 -9.379 -12.802 1.00 0.40 H new ATOM 0 HA THR A 61 2.023 -10.857 -11.562 1.00 0.40 H new ATOM 0 HB THR A 61 2.584 -10.189 -14.482 1.00 0.43 H new ATOM 0 HG1 THR A 61 0.870 -8.586 -14.065 1.00 0.46 H new ATOM 0 HG21 THR A 61 0.176 -10.723 -14.756 1.00 0.48 H new ATOM 0 HG22 THR A 61 1.072 -12.115 -14.103 1.00 0.48 H new ATOM 0 HG23 THR A 61 0.068 -11.118 -13.024 1.00 0.48 H new ATOM 909 N ASN A 62 2.626 -13.149 -12.599 1.00 0.43 N ATOM 910 CA ASN A 62 3.180 -14.510 -12.902 1.00 0.50 C ATOM 911 C ASN A 62 3.767 -14.557 -14.324 1.00 0.55 C ATOM 912 O ASN A 62 4.644 -15.354 -14.606 1.00 0.64 O ATOM 913 CB ASN A 62 2.060 -15.551 -12.784 1.00 0.51 C ATOM 914 CG ASN A 62 2.158 -16.258 -11.429 1.00 0.51 C ATOM 915 OD1 ASN A 62 2.505 -17.421 -11.361 1.00 0.75 O ATOM 916 ND2 ASN A 62 1.866 -15.601 -10.338 1.00 0.51 N ATOM 0 H ASN A 62 1.654 -13.144 -12.289 1.00 0.43 H new ATOM 0 HA ASN A 62 3.974 -14.729 -12.188 1.00 0.50 H new ATOM 0 HB2 ASN A 62 1.088 -15.068 -12.884 1.00 0.51 H new ATOM 0 HB3 ASN A 62 2.139 -16.278 -13.592 1.00 0.51 H new ATOM 0 HD21 ASN A 62 1.929 -16.064 -9.431 1.00 0.51 H new ATOM 0 HD22 ASN A 62 1.575 -14.625 -10.393 1.00 0.51 H new ATOM 923 N ASP A 63 3.296 -13.713 -15.217 1.00 0.53 N ATOM 924 CA ASP A 63 3.829 -13.710 -16.616 1.00 0.62 C ATOM 925 C ASP A 63 5.170 -12.965 -16.651 1.00 0.64 C ATOM 926 O ASP A 63 6.150 -13.472 -17.164 1.00 0.79 O ATOM 927 CB ASP A 63 2.831 -13.011 -17.546 1.00 0.64 C ATOM 928 CG ASP A 63 1.547 -13.842 -17.647 1.00 0.70 C ATOM 929 OD1 ASP A 63 1.497 -14.722 -18.492 1.00 0.91 O ATOM 930 OD2 ASP A 63 0.635 -13.584 -16.877 1.00 0.84 O ATOM 0 H ASP A 63 2.564 -13.026 -15.034 1.00 0.53 H new ATOM 0 HA ASP A 63 3.975 -14.737 -16.949 1.00 0.62 H new ATOM 0 HB2 ASP A 63 2.602 -12.015 -17.166 1.00 0.64 H new ATOM 0 HB3 ASP A 63 3.270 -12.882 -18.535 1.00 0.64 H new ATOM 935 N GLY A 64 5.217 -11.772 -16.102 1.00 0.57 N ATOM 936 CA GLY A 64 6.495 -10.993 -16.095 1.00 0.60 C ATOM 937 C GLY A 64 6.202 -9.499 -16.270 1.00 0.58 C ATOM 938 O GLY A 64 6.737 -8.857 -17.155 1.00 0.68 O ATOM 0 H GLY A 64 4.425 -11.306 -15.659 1.00 0.57 H new ATOM 0 HA2 GLY A 64 7.027 -11.160 -15.158 1.00 0.60 H new ATOM 0 HA3 GLY A 64 7.146 -11.340 -16.897 1.00 0.60 H new ATOM 942 N VAL A 65 5.362 -8.944 -15.427 1.00 0.49 N ATOM 943 CA VAL A 65 5.031 -7.487 -15.527 1.00 0.49 C ATOM 944 C VAL A 65 5.157 -6.848 -14.138 1.00 0.45 C ATOM 945 O VAL A 65 4.500 -7.256 -13.199 1.00 0.45 O ATOM 946 CB VAL A 65 3.599 -7.313 -16.055 1.00 0.51 C ATOM 947 CG1 VAL A 65 3.315 -5.825 -16.283 1.00 0.59 C ATOM 948 CG2 VAL A 65 3.444 -8.067 -17.381 1.00 0.66 C ATOM 0 H VAL A 65 4.890 -9.441 -14.671 1.00 0.49 H new ATOM 0 HA VAL A 65 5.721 -7.001 -16.216 1.00 0.49 H new ATOM 0 HB VAL A 65 2.895 -7.712 -15.325 1.00 0.51 H new ATOM 0 HG11 VAL A 65 2.299 -5.702 -16.658 1.00 0.59 H new ATOM 0 HG12 VAL A 65 3.423 -5.286 -15.342 1.00 0.59 H new ATOM 0 HG13 VAL A 65 4.021 -5.427 -17.012 1.00 0.59 H new ATOM 0 HG21 VAL A 65 2.427 -7.942 -17.754 1.00 0.66 H new ATOM 0 HG22 VAL A 65 4.149 -7.669 -18.110 1.00 0.66 H new ATOM 0 HG23 VAL A 65 3.645 -9.127 -17.223 1.00 0.66 H new ATOM 958 N GLY A 66 6.004 -5.853 -14.009 1.00 0.51 N ATOM 959 CA GLY A 66 6.200 -5.175 -12.692 1.00 0.49 C ATOM 960 C GLY A 66 5.012 -4.260 -12.396 1.00 0.47 C ATOM 961 O GLY A 66 5.020 -3.089 -12.730 1.00 0.54 O ATOM 0 H GLY A 66 6.572 -5.480 -14.769 1.00 0.51 H new ATOM 0 HA2 GLY A 66 6.303 -5.919 -11.902 1.00 0.49 H new ATOM 0 HA3 GLY A 66 7.123 -4.595 -12.706 1.00 0.49 H new ATOM 965 N VAL A 67 3.996 -4.792 -11.764 1.00 0.43 N ATOM 966 CA VAL A 67 2.791 -3.971 -11.425 1.00 0.45 C ATOM 967 C VAL A 67 3.135 -3.012 -10.277 1.00 0.44 C ATOM 968 O VAL A 67 3.681 -3.412 -9.262 1.00 0.47 O ATOM 969 CB VAL A 67 1.635 -4.887 -10.995 1.00 0.47 C ATOM 970 CG1 VAL A 67 0.350 -4.066 -10.860 1.00 0.54 C ATOM 971 CG2 VAL A 67 1.424 -5.983 -12.044 1.00 0.52 C ATOM 0 H VAL A 67 3.948 -5.766 -11.466 1.00 0.43 H new ATOM 0 HA VAL A 67 2.488 -3.401 -12.303 1.00 0.45 H new ATOM 0 HB VAL A 67 1.881 -5.343 -10.036 1.00 0.47 H new ATOM 0 HG11 VAL A 67 -0.468 -4.718 -10.555 1.00 0.54 H new ATOM 0 HG12 VAL A 67 0.493 -3.288 -10.110 1.00 0.54 H new ATOM 0 HG13 VAL A 67 0.109 -3.606 -11.819 1.00 0.54 H new ATOM 0 HG21 VAL A 67 0.603 -6.630 -11.734 1.00 0.52 H new ATOM 0 HG22 VAL A 67 1.184 -5.526 -13.004 1.00 0.52 H new ATOM 0 HG23 VAL A 67 2.335 -6.574 -12.141 1.00 0.52 H new ATOM 981 N ASN A 68 2.815 -1.750 -10.436 1.00 0.46 N ATOM 982 CA ASN A 68 3.115 -0.749 -9.366 1.00 0.48 C ATOM 983 C ASN A 68 1.807 -0.298 -8.695 1.00 0.46 C ATOM 984 O ASN A 68 0.734 -0.488 -9.241 1.00 0.46 O ATOM 985 CB ASN A 68 3.819 0.462 -9.989 1.00 0.52 C ATOM 986 CG ASN A 68 5.316 0.167 -10.140 1.00 0.71 C ATOM 987 OD1 ASN A 68 5.986 -0.154 -9.178 1.00 1.02 O ATOM 988 ND2 ASN A 68 5.873 0.265 -11.317 1.00 1.39 N ATOM 0 H ASN A 68 2.357 -1.370 -11.264 1.00 0.46 H new ATOM 0 HA ASN A 68 3.763 -1.202 -8.616 1.00 0.48 H new ATOM 0 HB2 ASN A 68 3.383 0.688 -10.962 1.00 0.52 H new ATOM 0 HB3 ASN A 68 3.673 1.342 -9.362 1.00 0.52 H new ATOM 0 HD21 ASN A 68 6.868 0.072 -11.428 1.00 1.39 H new ATOM 0 HD22 ASN A 68 5.313 0.534 -12.126 1.00 1.39 H new ATOM 995 N PRO A 69 1.941 0.292 -7.524 1.00 0.48 N ATOM 996 CA PRO A 69 0.794 0.793 -6.741 1.00 0.51 C ATOM 997 C PRO A 69 0.293 2.124 -7.328 1.00 0.51 C ATOM 998 O PRO A 69 0.373 3.166 -6.701 1.00 0.56 O ATOM 999 CB PRO A 69 1.373 0.976 -5.332 1.00 0.58 C ATOM 1000 CG PRO A 69 2.904 1.120 -5.505 1.00 0.59 C ATOM 1001 CD PRO A 69 3.251 0.514 -6.878 1.00 0.53 C ATOM 0 HA PRO A 69 -0.066 0.123 -6.748 1.00 0.51 H new ATOM 0 HB2 PRO A 69 0.952 1.858 -4.850 1.00 0.58 H new ATOM 0 HB3 PRO A 69 1.132 0.122 -4.699 1.00 0.58 H new ATOM 0 HG2 PRO A 69 3.202 2.167 -5.457 1.00 0.59 H new ATOM 0 HG3 PRO A 69 3.435 0.601 -4.707 1.00 0.59 H new ATOM 0 HD2 PRO A 69 3.874 1.190 -7.464 1.00 0.53 H new ATOM 0 HD3 PRO A 69 3.805 -0.419 -6.772 1.00 0.53 H new ATOM 1009 N ALA A 70 -0.210 2.087 -8.537 1.00 0.50 N ATOM 1010 CA ALA A 70 -0.715 3.334 -9.197 1.00 0.55 C ATOM 1011 C ALA A 70 -2.098 3.091 -9.831 1.00 0.59 C ATOM 1012 O ALA A 70 -2.908 3.997 -9.916 1.00 1.03 O ATOM 1013 CB ALA A 70 0.273 3.768 -10.284 1.00 0.59 C ATOM 0 H ALA A 70 -0.294 1.241 -9.100 1.00 0.50 H new ATOM 0 HA ALA A 70 -0.808 4.116 -8.443 1.00 0.55 H new ATOM 0 HB1 ALA A 70 -0.092 4.675 -10.766 1.00 0.59 H new ATOM 0 HB2 ALA A 70 1.247 3.962 -9.834 1.00 0.59 H new ATOM 0 HB3 ALA A 70 0.368 2.976 -11.027 1.00 0.59 H new ATOM 1019 N GLN A 71 -2.371 1.885 -10.287 1.00 0.40 N ATOM 1020 CA GLN A 71 -3.694 1.589 -10.924 1.00 0.40 C ATOM 1021 C GLN A 71 -4.696 1.088 -9.868 1.00 0.35 C ATOM 1022 O GLN A 71 -4.304 0.670 -8.795 1.00 0.36 O ATOM 1023 CB GLN A 71 -3.505 0.505 -11.991 1.00 0.46 C ATOM 1024 CG GLN A 71 -2.740 1.083 -13.182 1.00 0.62 C ATOM 1025 CD GLN A 71 -1.769 0.030 -13.723 1.00 0.77 C ATOM 1026 OE1 GLN A 71 -2.091 -0.692 -14.647 1.00 1.02 O ATOM 1027 NE2 GLN A 71 -0.588 -0.092 -13.180 1.00 1.06 N ATOM 0 H GLN A 71 -1.730 1.093 -10.243 1.00 0.40 H new ATOM 0 HA GLN A 71 -4.082 2.501 -11.377 1.00 0.40 H new ATOM 0 HB2 GLN A 71 -2.960 -0.341 -11.572 1.00 0.46 H new ATOM 0 HB3 GLN A 71 -4.475 0.129 -12.317 1.00 0.46 H new ATOM 0 HG2 GLN A 71 -3.437 1.386 -13.963 1.00 0.62 H new ATOM 0 HG3 GLN A 71 -2.193 1.976 -12.878 1.00 0.62 H new ATOM 0 HE21 GLN A 71 -0.318 0.514 -12.405 1.00 1.06 H new ATOM 0 HE22 GLN A 71 0.065 -0.793 -13.531 1.00 1.06 H new ATOM 1036 N PRO A 72 -5.966 1.139 -10.217 1.00 0.35 N ATOM 1037 CA PRO A 72 -7.061 0.686 -9.329 1.00 0.35 C ATOM 1038 C PRO A 72 -7.156 -0.848 -9.332 1.00 0.31 C ATOM 1039 O PRO A 72 -6.752 -1.500 -10.278 1.00 0.34 O ATOM 1040 CB PRO A 72 -8.312 1.314 -9.952 1.00 0.41 C ATOM 1041 CG PRO A 72 -7.966 1.602 -11.432 1.00 0.43 C ATOM 1042 CD PRO A 72 -6.429 1.652 -11.525 1.00 0.41 C ATOM 0 HA PRO A 72 -6.918 0.977 -8.288 1.00 0.35 H new ATOM 0 HB2 PRO A 72 -9.164 0.638 -9.877 1.00 0.41 H new ATOM 0 HB3 PRO A 72 -8.586 2.232 -9.432 1.00 0.41 H new ATOM 0 HG2 PRO A 72 -8.368 0.825 -12.082 1.00 0.43 H new ATOM 0 HG3 PRO A 72 -8.404 2.546 -11.755 1.00 0.43 H new ATOM 0 HD2 PRO A 72 -6.060 1.038 -12.346 1.00 0.41 H new ATOM 0 HD3 PRO A 72 -6.074 2.667 -11.702 1.00 0.41 H new ATOM 1050 N ALA A 73 -7.691 -1.423 -8.276 1.00 0.31 N ATOM 1051 CA ALA A 73 -7.820 -2.916 -8.198 1.00 0.32 C ATOM 1052 C ALA A 73 -8.587 -3.450 -9.416 1.00 0.31 C ATOM 1053 O ALA A 73 -8.241 -4.478 -9.967 1.00 0.36 O ATOM 1054 CB ALA A 73 -8.570 -3.298 -6.919 1.00 0.38 C ATOM 0 H ALA A 73 -8.045 -0.919 -7.463 1.00 0.31 H new ATOM 0 HA ALA A 73 -6.822 -3.355 -8.187 1.00 0.32 H new ATOM 0 HB1 ALA A 73 -8.664 -4.382 -6.862 1.00 0.38 H new ATOM 0 HB2 ALA A 73 -8.018 -2.936 -6.052 1.00 0.38 H new ATOM 0 HB3 ALA A 73 -9.563 -2.848 -6.931 1.00 0.38 H new ATOM 1060 N GLY A 74 -9.622 -2.756 -9.839 1.00 0.33 N ATOM 1061 CA GLY A 74 -10.416 -3.215 -11.023 1.00 0.37 C ATOM 1062 C GLY A 74 -9.508 -3.320 -12.255 1.00 0.37 C ATOM 1063 O GLY A 74 -9.541 -4.302 -12.973 1.00 0.43 O ATOM 0 H GLY A 74 -9.950 -1.889 -9.412 1.00 0.33 H new ATOM 0 HA2 GLY A 74 -10.871 -4.183 -10.813 1.00 0.37 H new ATOM 0 HA3 GLY A 74 -11.229 -2.516 -11.219 1.00 0.37 H new ATOM 1067 N ASN A 75 -8.697 -2.314 -12.500 1.00 0.38 N ATOM 1068 CA ASN A 75 -7.780 -2.343 -13.684 1.00 0.40 C ATOM 1069 C ASN A 75 -6.681 -3.395 -13.469 1.00 0.40 C ATOM 1070 O ASN A 75 -6.284 -4.077 -14.396 1.00 0.47 O ATOM 1071 CB ASN A 75 -7.138 -0.963 -13.866 1.00 0.45 C ATOM 1072 CG ASN A 75 -6.727 -0.777 -15.328 1.00 0.86 C ATOM 1073 OD1 ASN A 75 -7.542 -0.438 -16.163 1.00 1.33 O ATOM 1074 ND2 ASN A 75 -5.486 -0.985 -15.677 1.00 1.31 N ATOM 0 H ASN A 75 -8.632 -1.472 -11.928 1.00 0.38 H new ATOM 0 HA ASN A 75 -8.353 -2.601 -14.575 1.00 0.40 H new ATOM 0 HB2 ASN A 75 -7.840 -0.183 -13.573 1.00 0.45 H new ATOM 0 HB3 ASN A 75 -6.267 -0.868 -13.218 1.00 0.45 H new ATOM 0 HD21 ASN A 75 -5.202 -0.863 -16.649 1.00 1.31 H new ATOM 0 HD22 ASN A 75 -4.800 -1.270 -14.978 1.00 1.31 H new ATOM 1081 N ILE A 76 -6.191 -3.528 -12.255 1.00 0.38 N ATOM 1082 CA ILE A 76 -5.119 -4.535 -11.969 1.00 0.40 C ATOM 1083 C ILE A 76 -5.650 -5.945 -12.265 1.00 0.41 C ATOM 1084 O ILE A 76 -4.962 -6.762 -12.850 1.00 0.49 O ATOM 1085 CB ILE A 76 -4.705 -4.439 -10.492 1.00 0.42 C ATOM 1086 CG1 ILE A 76 -4.059 -3.069 -10.223 1.00 0.45 C ATOM 1087 CG2 ILE A 76 -3.707 -5.553 -10.154 1.00 0.46 C ATOM 1088 CD1 ILE A 76 -2.741 -2.941 -10.994 1.00 0.46 C ATOM 0 H ILE A 76 -6.490 -2.979 -11.449 1.00 0.38 H new ATOM 0 HA ILE A 76 -4.253 -4.334 -12.600 1.00 0.40 H new ATOM 0 HB ILE A 76 -5.591 -4.551 -9.867 1.00 0.42 H new ATOM 0 HG12 ILE A 76 -4.741 -2.273 -10.521 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -3.876 -2.949 -9.155 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -3.419 -5.478 -9.105 1.00 0.46 H new ATOM 0 HG22 ILE A 76 -4.170 -6.523 -10.334 1.00 0.46 H new ATOM 0 HG23 ILE A 76 -2.822 -5.451 -10.782 1.00 0.46 H new ATOM 0 HD11 ILE A 76 -2.296 -1.967 -10.794 1.00 0.46 H new ATOM 0 HD12 ILE A 76 -2.055 -3.726 -10.675 1.00 0.46 H new ATOM 0 HD13 ILE A 76 -2.933 -3.039 -12.062 1.00 0.46 H new ATOM 1100 N PHE A 77 -6.870 -6.230 -11.867 1.00 0.40 N ATOM 1101 CA PHE A 77 -7.464 -7.581 -12.120 1.00 0.44 C ATOM 1102 C PHE A 77 -7.806 -7.730 -13.611 1.00 0.48 C ATOM 1103 O PHE A 77 -7.646 -8.793 -14.184 1.00 0.58 O ATOM 1104 CB PHE A 77 -8.737 -7.739 -11.282 1.00 0.47 C ATOM 1105 CG PHE A 77 -9.089 -9.205 -11.158 1.00 0.48 C ATOM 1106 CD1 PHE A 77 -9.890 -9.816 -12.131 1.00 0.72 C ATOM 1107 CD2 PHE A 77 -8.618 -9.950 -10.071 1.00 0.47 C ATOM 1108 CE1 PHE A 77 -10.217 -11.172 -12.018 1.00 0.80 C ATOM 1109 CE2 PHE A 77 -8.946 -11.307 -9.958 1.00 0.53 C ATOM 1110 CZ PHE A 77 -9.745 -11.917 -10.930 1.00 0.64 C ATOM 0 H PHE A 77 -7.482 -5.579 -11.375 1.00 0.40 H new ATOM 0 HA PHE A 77 -6.744 -8.351 -11.841 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -8.588 -7.306 -10.293 1.00 0.47 H new ATOM 0 HB3 PHE A 77 -9.560 -7.196 -11.747 1.00 0.47 H new ATOM 0 HD1 PHE A 77 -10.255 -9.241 -12.969 1.00 0.72 H new ATOM 0 HD2 PHE A 77 -8.002 -9.479 -9.320 1.00 0.47 H new ATOM 0 HE1 PHE A 77 -10.833 -11.644 -12.769 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -8.582 -11.882 -9.120 1.00 0.53 H new ATOM 0 HZ PHE A 77 -9.998 -12.963 -10.842 1.00 0.64 H new ATOM 1120 N LEU A 78 -8.279 -6.676 -14.238 1.00 0.46 N ATOM 1121 CA LEU A 78 -8.641 -6.750 -15.690 1.00 0.52 C ATOM 1122 C LEU A 78 -7.381 -6.968 -16.542 1.00 0.56 C ATOM 1123 O LEU A 78 -7.414 -7.676 -17.533 1.00 0.66 O ATOM 1124 CB LEU A 78 -9.319 -5.441 -16.116 1.00 0.53 C ATOM 1125 CG LEU A 78 -10.770 -5.427 -15.622 1.00 0.55 C ATOM 1126 CD1 LEU A 78 -11.326 -4.002 -15.695 1.00 0.63 C ATOM 1127 CD2 LEU A 78 -11.624 -6.350 -16.499 1.00 0.73 C ATOM 0 H LEU A 78 -8.430 -5.765 -13.804 1.00 0.46 H new ATOM 0 HA LEU A 78 -9.323 -7.587 -15.841 1.00 0.52 H new ATOM 0 HB2 LEU A 78 -8.777 -4.589 -15.706 1.00 0.53 H new ATOM 0 HB3 LEU A 78 -9.293 -5.343 -17.201 1.00 0.53 H new ATOM 0 HG LEU A 78 -10.799 -5.777 -14.590 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -12.358 -3.995 -15.343 1.00 0.63 H new ATOM 0 HD12 LEU A 78 -10.724 -3.344 -15.068 1.00 0.63 H new ATOM 0 HD13 LEU A 78 -11.292 -3.651 -16.726 1.00 0.63 H new ATOM 0 HD21 LEU A 78 -12.655 -6.337 -16.145 1.00 0.73 H new ATOM 0 HD22 LEU A 78 -11.591 -6.003 -17.532 1.00 0.73 H new ATOM 0 HD23 LEU A 78 -11.234 -7.366 -16.445 1.00 0.73 H new ATOM 1139 N LYS A 79 -6.279 -6.355 -16.172 1.00 0.56 N ATOM 1140 CA LYS A 79 -5.018 -6.508 -16.964 1.00 0.63 C ATOM 1141 C LYS A 79 -4.256 -7.767 -16.530 1.00 0.67 C ATOM 1142 O LYS A 79 -3.952 -8.623 -17.341 1.00 0.81 O ATOM 1143 CB LYS A 79 -4.125 -5.284 -16.741 1.00 0.69 C ATOM 1144 CG LYS A 79 -4.260 -4.327 -17.925 1.00 1.01 C ATOM 1145 CD LYS A 79 -3.122 -3.305 -17.887 1.00 1.27 C ATOM 1146 CE LYS A 79 -3.422 -2.171 -18.869 1.00 1.40 C ATOM 1147 NZ LYS A 79 -2.273 -1.223 -18.900 1.00 2.06 N ATOM 0 H LYS A 79 -6.201 -5.753 -15.352 1.00 0.56 H new ATOM 0 HA LYS A 79 -5.279 -6.597 -18.018 1.00 0.63 H new ATOM 0 HB2 LYS A 79 -4.408 -4.778 -15.818 1.00 0.69 H new ATOM 0 HB3 LYS A 79 -3.086 -5.595 -16.629 1.00 0.69 H new ATOM 0 HG2 LYS A 79 -4.232 -4.884 -18.862 1.00 1.01 H new ATOM 0 HG3 LYS A 79 -5.223 -3.817 -17.886 1.00 1.01 H new ATOM 0 HD2 LYS A 79 -3.010 -2.907 -16.878 1.00 1.27 H new ATOM 0 HD3 LYS A 79 -2.179 -3.785 -18.147 1.00 1.27 H new ATOM 0 HE2 LYS A 79 -3.600 -2.576 -19.865 1.00 1.40 H new ATOM 0 HE3 LYS A 79 -4.331 -1.648 -18.571 1.00 1.40 H new ATOM 0 HZ1 LYS A 79 -2.477 -0.452 -19.568 1.00 2.06 H new ATOM 0 HZ2 LYS A 79 -2.123 -0.828 -17.950 1.00 2.06 H new ATOM 0 HZ3 LYS A 79 -1.415 -1.727 -19.204 1.00 2.06 H new ATOM 1161 N HIS A 80 -3.925 -7.870 -15.264 1.00 0.64 N ATOM 1162 CA HIS A 80 -3.153 -9.057 -14.775 1.00 0.74 C ATOM 1163 C HIS A 80 -4.109 -10.119 -14.217 1.00 0.71 C ATOM 1164 O HIS A 80 -4.121 -11.245 -14.678 1.00 0.91 O ATOM 1165 CB HIS A 80 -2.172 -8.612 -13.683 1.00 0.77 C ATOM 1166 CG HIS A 80 -1.454 -7.366 -14.132 1.00 0.91 C ATOM 1167 ND1 HIS A 80 -0.511 -7.379 -15.148 1.00 1.15 N ATOM 1168 CD2 HIS A 80 -1.554 -6.057 -13.729 1.00 0.99 C ATOM 1169 CE1 HIS A 80 -0.088 -6.115 -15.324 1.00 1.29 C ATOM 1170 NE2 HIS A 80 -0.690 -5.268 -14.485 1.00 1.21 N ATOM 0 H HIS A 80 -4.157 -7.182 -14.548 1.00 0.64 H new ATOM 0 HA HIS A 80 -2.599 -9.490 -15.607 1.00 0.74 H new ATOM 0 HB2 HIS A 80 -2.708 -8.421 -12.753 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -1.453 -9.406 -13.479 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -2.203 -5.695 -12.946 1.00 0.99 H new ATOM 0 HE1 HIS A 80 0.650 -5.820 -16.056 1.00 1.29 H new ATOM 0 HE2 HIS A 80 -0.548 -4.261 -14.413 1.00 1.21 H new ATOM 1178 N GLY A 81 -4.903 -9.771 -13.231 1.00 0.56 N ATOM 1179 CA GLY A 81 -5.857 -10.763 -12.643 1.00 0.60 C ATOM 1180 C GLY A 81 -5.528 -10.993 -11.164 1.00 0.53 C ATOM 1181 O GLY A 81 -5.411 -10.055 -10.395 1.00 0.60 O ATOM 0 H GLY A 81 -4.931 -8.843 -12.809 1.00 0.56 H new ATOM 0 HA2 GLY A 81 -6.880 -10.400 -12.744 1.00 0.60 H new ATOM 0 HA3 GLY A 81 -5.797 -11.705 -13.188 1.00 0.60 H new ATOM 1185 N SER A 82 -5.389 -12.236 -10.764 1.00 0.52 N ATOM 1186 CA SER A 82 -5.078 -12.549 -9.332 1.00 0.49 C ATOM 1187 C SER A 82 -3.659 -13.125 -9.204 1.00 0.41 C ATOM 1188 O SER A 82 -2.946 -12.809 -8.270 1.00 0.48 O ATOM 1189 CB SER A 82 -6.093 -13.570 -8.797 1.00 0.58 C ATOM 1190 OG SER A 82 -6.127 -14.706 -9.653 1.00 0.61 O ATOM 0 H SER A 82 -5.478 -13.051 -11.371 1.00 0.52 H new ATOM 0 HA SER A 82 -5.139 -11.629 -8.751 1.00 0.49 H new ATOM 0 HB2 SER A 82 -5.821 -13.873 -7.786 1.00 0.58 H new ATOM 0 HB3 SER A 82 -7.083 -13.117 -8.738 1.00 0.58 H new ATOM 0 HG SER A 82 -5.375 -15.298 -9.441 1.00 0.61 H new ATOM 1196 N GLU A 83 -3.251 -13.970 -10.126 1.00 0.39 N ATOM 1197 CA GLU A 83 -1.883 -14.577 -10.054 1.00 0.40 C ATOM 1198 C GLU A 83 -0.812 -13.480 -10.134 1.00 0.39 C ATOM 1199 O GLU A 83 -0.536 -12.941 -11.192 1.00 0.49 O ATOM 1200 CB GLU A 83 -1.702 -15.568 -11.212 1.00 0.51 C ATOM 1201 CG GLU A 83 -2.005 -16.988 -10.723 1.00 0.71 C ATOM 1202 CD GLU A 83 -3.521 -17.173 -10.579 1.00 1.00 C ATOM 1203 OE1 GLU A 83 -4.152 -17.528 -11.561 1.00 1.21 O ATOM 1204 OE2 GLU A 83 -4.024 -16.957 -9.487 1.00 1.32 O ATOM 0 H GLU A 83 -3.810 -14.265 -10.927 1.00 0.39 H new ATOM 0 HA GLU A 83 -1.775 -15.103 -9.106 1.00 0.40 H new ATOM 0 HB2 GLU A 83 -2.366 -15.306 -12.036 1.00 0.51 H new ATOM 0 HB3 GLU A 83 -0.683 -15.514 -11.595 1.00 0.51 H new ATOM 0 HG2 GLU A 83 -1.605 -17.718 -11.426 1.00 0.71 H new ATOM 0 HG3 GLU A 83 -1.515 -17.166 -9.766 1.00 0.71 H new ATOM 1211 N LEU A 84 -0.212 -13.151 -9.012 1.00 0.35 N ATOM 1212 CA LEU A 84 0.845 -12.092 -8.983 1.00 0.38 C ATOM 1213 C LEU A 84 1.985 -12.519 -8.042 1.00 0.34 C ATOM 1214 O LEU A 84 1.879 -13.497 -7.322 1.00 0.37 O ATOM 1215 CB LEU A 84 0.235 -10.776 -8.481 1.00 0.46 C ATOM 1216 CG LEU A 84 -0.595 -10.129 -9.596 1.00 0.56 C ATOM 1217 CD1 LEU A 84 -1.951 -9.688 -9.037 1.00 0.95 C ATOM 1218 CD2 LEU A 84 0.149 -8.910 -10.146 1.00 0.54 C ATOM 0 H LEU A 84 -0.413 -13.577 -8.107 1.00 0.35 H new ATOM 0 HA LEU A 84 1.242 -11.952 -9.989 1.00 0.38 H new ATOM 0 HB2 LEU A 84 -0.393 -10.965 -7.610 1.00 0.46 H new ATOM 0 HB3 LEU A 84 1.025 -10.096 -8.163 1.00 0.46 H new ATOM 0 HG LEU A 84 -0.750 -10.853 -10.396 1.00 0.56 H new ATOM 0 HD11 LEU A 84 -2.540 -9.228 -9.831 1.00 0.95 H new ATOM 0 HD12 LEU A 84 -2.483 -10.555 -8.646 1.00 0.95 H new ATOM 0 HD13 LEU A 84 -1.797 -8.966 -8.235 1.00 0.95 H new ATOM 0 HD21 LEU A 84 -0.441 -8.450 -10.939 1.00 0.54 H new ATOM 0 HD22 LEU A 84 0.306 -8.188 -9.345 1.00 0.54 H new ATOM 0 HD23 LEU A 84 1.113 -9.223 -10.547 1.00 0.54 H new ATOM 1230 N ARG A 85 3.073 -11.784 -8.046 1.00 0.38 N ATOM 1231 CA ARG A 85 4.232 -12.123 -7.160 1.00 0.35 C ATOM 1232 C ARG A 85 4.737 -10.852 -6.460 1.00 0.37 C ATOM 1233 O ARG A 85 4.461 -9.746 -6.890 1.00 0.43 O ATOM 1234 CB ARG A 85 5.359 -12.726 -8.006 1.00 0.37 C ATOM 1235 CG ARG A 85 5.285 -14.255 -7.941 1.00 0.44 C ATOM 1236 CD ARG A 85 5.012 -14.819 -9.339 1.00 0.64 C ATOM 1237 NE ARG A 85 6.216 -15.553 -9.825 1.00 0.82 N ATOM 1238 CZ ARG A 85 6.392 -15.747 -11.106 1.00 0.93 C ATOM 1239 NH1 ARG A 85 7.025 -14.852 -11.823 1.00 1.45 N ATOM 1240 NH2 ARG A 85 5.932 -16.835 -11.672 1.00 1.44 N ATOM 0 H ARG A 85 3.208 -10.958 -8.629 1.00 0.38 H new ATOM 0 HA ARG A 85 3.915 -12.845 -6.408 1.00 0.35 H new ATOM 0 HB2 ARG A 85 5.272 -12.391 -9.039 1.00 0.37 H new ATOM 0 HB3 ARG A 85 6.327 -12.382 -7.640 1.00 0.37 H new ATOM 0 HG2 ARG A 85 6.220 -14.658 -7.552 1.00 0.44 H new ATOM 0 HG3 ARG A 85 4.496 -14.562 -7.254 1.00 0.44 H new ATOM 0 HD2 ARG A 85 4.152 -15.488 -9.311 1.00 0.64 H new ATOM 0 HD3 ARG A 85 4.764 -14.010 -10.027 1.00 0.64 H new ATOM 0 HE ARG A 85 6.903 -15.904 -9.157 1.00 0.82 H new ATOM 0 HH11 ARG A 85 7.381 -14.004 -11.382 1.00 1.45 H new ATOM 0 HH12 ARG A 85 7.162 -15.003 -12.822 1.00 1.45 H new ATOM 0 HH21 ARG A 85 5.437 -17.530 -11.113 1.00 1.44 H new ATOM 0 HH22 ARG A 85 6.069 -16.987 -12.671 1.00 1.44 H new ATOM 1254 N LEU A 86 5.474 -11.004 -5.382 1.00 0.39 N ATOM 1255 CA LEU A 86 5.997 -9.809 -4.646 1.00 0.42 C ATOM 1256 C LEU A 86 7.506 -9.675 -4.876 1.00 0.42 C ATOM 1257 O LEU A 86 8.255 -10.624 -4.720 1.00 0.47 O ATOM 1258 CB LEU A 86 5.727 -9.966 -3.145 1.00 0.47 C ATOM 1259 CG LEU A 86 5.842 -8.600 -2.457 1.00 0.56 C ATOM 1260 CD1 LEU A 86 4.470 -8.168 -1.932 1.00 0.65 C ATOM 1261 CD2 LEU A 86 6.826 -8.699 -1.287 1.00 0.71 C ATOM 0 H LEU A 86 5.735 -11.905 -4.981 1.00 0.39 H new ATOM 0 HA LEU A 86 5.493 -8.917 -5.017 1.00 0.42 H new ATOM 0 HB2 LEU A 86 4.732 -10.382 -2.986 1.00 0.47 H new ATOM 0 HB3 LEU A 86 6.439 -10.666 -2.708 1.00 0.47 H new ATOM 0 HG LEU A 86 6.201 -7.864 -3.176 1.00 0.56 H new ATOM 0 HD11 LEU A 86 4.556 -7.197 -1.444 1.00 0.65 H new ATOM 0 HD12 LEU A 86 3.769 -8.095 -2.763 1.00 0.65 H new ATOM 0 HD13 LEU A 86 4.107 -8.904 -1.214 1.00 0.65 H new ATOM 0 HD21 LEU A 86 6.908 -7.729 -0.798 1.00 0.71 H new ATOM 0 HD22 LEU A 86 6.466 -9.437 -0.570 1.00 0.71 H new ATOM 0 HD23 LEU A 86 7.805 -9.002 -1.659 1.00 0.71 H new ATOM 1273 N ILE A 87 7.952 -8.495 -5.236 1.00 0.49 N ATOM 1274 CA ILE A 87 9.410 -8.268 -5.473 1.00 0.53 C ATOM 1275 C ILE A 87 9.888 -7.080 -4.620 1.00 0.49 C ATOM 1276 O ILE A 87 9.265 -6.033 -4.618 1.00 0.45 O ATOM 1277 CB ILE A 87 9.653 -7.981 -6.965 1.00 0.56 C ATOM 1278 CG1 ILE A 87 11.150 -7.749 -7.208 1.00 0.66 C ATOM 1279 CG2 ILE A 87 8.869 -6.736 -7.400 1.00 0.59 C ATOM 1280 CD1 ILE A 87 11.481 -8.021 -8.676 1.00 0.71 C ATOM 0 H ILE A 87 7.363 -7.674 -5.376 1.00 0.49 H new ATOM 0 HA ILE A 87 9.970 -9.159 -5.189 1.00 0.53 H new ATOM 0 HB ILE A 87 9.314 -8.838 -7.548 1.00 0.56 H new ATOM 0 HG12 ILE A 87 11.416 -6.724 -6.949 1.00 0.66 H new ATOM 0 HG13 ILE A 87 11.739 -8.403 -6.565 1.00 0.66 H new ATOM 0 HG21 ILE A 87 9.049 -6.544 -8.458 1.00 0.59 H new ATOM 0 HG22 ILE A 87 7.804 -6.902 -7.238 1.00 0.59 H new ATOM 0 HG23 ILE A 87 9.196 -5.877 -6.814 1.00 0.59 H new ATOM 0 HD11 ILE A 87 12.545 -7.855 -8.846 1.00 0.71 H new ATOM 0 HD12 ILE A 87 11.231 -9.053 -8.920 1.00 0.71 H new ATOM 0 HD13 ILE A 87 10.903 -7.348 -9.310 1.00 0.71 H new ATOM 1292 N PRO A 88 10.985 -7.277 -3.921 1.00 0.56 N ATOM 1293 CA PRO A 88 11.572 -6.235 -3.057 1.00 0.57 C ATOM 1294 C PRO A 88 12.297 -5.183 -3.905 1.00 0.54 C ATOM 1295 O PRO A 88 13.213 -5.494 -4.648 1.00 0.66 O ATOM 1296 CB PRO A 88 12.549 -7.009 -2.167 1.00 0.72 C ATOM 1297 CG PRO A 88 12.881 -8.320 -2.917 1.00 0.77 C ATOM 1298 CD PRO A 88 11.738 -8.550 -3.925 1.00 0.68 C ATOM 0 HA PRO A 88 10.830 -5.688 -2.476 1.00 0.57 H new ATOM 0 HB2 PRO A 88 13.452 -6.427 -1.985 1.00 0.72 H new ATOM 0 HB3 PRO A 88 12.104 -7.220 -1.195 1.00 0.72 H new ATOM 0 HG2 PRO A 88 13.840 -8.241 -3.429 1.00 0.77 H new ATOM 0 HG3 PRO A 88 12.959 -9.156 -2.221 1.00 0.77 H new ATOM 0 HD2 PRO A 88 12.124 -8.781 -4.918 1.00 0.68 H new ATOM 0 HD3 PRO A 88 11.106 -9.387 -3.626 1.00 0.68 H new ATOM 1306 N ARG A 89 11.886 -3.944 -3.797 1.00 0.53 N ATOM 1307 CA ARG A 89 12.534 -2.856 -4.588 1.00 0.53 C ATOM 1308 C ARG A 89 13.853 -2.458 -3.922 1.00 0.52 C ATOM 1309 O ARG A 89 13.907 -2.204 -2.730 1.00 0.78 O ATOM 1310 CB ARG A 89 11.605 -1.638 -4.654 1.00 0.63 C ATOM 1311 CG ARG A 89 11.606 -1.065 -6.074 1.00 0.79 C ATOM 1312 CD ARG A 89 10.194 -1.141 -6.661 1.00 0.78 C ATOM 1313 NE ARG A 89 9.530 0.189 -6.541 1.00 0.76 N ATOM 1314 CZ ARG A 89 8.410 0.305 -5.876 1.00 0.77 C ATOM 1315 NH1 ARG A 89 8.435 0.525 -4.587 1.00 0.86 N ATOM 1316 NH2 ARG A 89 7.266 0.199 -6.502 1.00 0.98 N ATOM 0 H ARG A 89 11.125 -3.639 -3.191 1.00 0.53 H new ATOM 0 HA ARG A 89 12.729 -3.213 -5.599 1.00 0.53 H new ATOM 0 HB2 ARG A 89 10.593 -1.924 -4.368 1.00 0.63 H new ATOM 0 HB3 ARG A 89 11.934 -0.879 -3.945 1.00 0.63 H new ATOM 0 HG2 ARG A 89 11.949 -0.030 -6.059 1.00 0.79 H new ATOM 0 HG3 ARG A 89 12.302 -1.622 -6.701 1.00 0.79 H new ATOM 0 HD2 ARG A 89 10.240 -1.443 -7.707 1.00 0.78 H new ATOM 0 HD3 ARG A 89 9.611 -1.898 -6.136 1.00 0.78 H new ATOM 0 HE ARG A 89 9.950 1.009 -6.978 1.00 0.76 H new ATOM 0 HH11 ARG A 89 9.328 0.606 -4.101 1.00 0.86 H new ATOM 0 HH12 ARG A 89 7.562 0.616 -4.068 1.00 0.86 H new ATOM 0 HH21 ARG A 89 7.249 0.026 -7.507 1.00 0.98 H new ATOM 0 HH22 ARG A 89 6.391 0.289 -5.985 1.00 0.98 H new ATOM 1330 N ASP A 90 14.913 -2.400 -4.687 1.00 0.56 N ATOM 1331 CA ASP A 90 16.237 -2.017 -4.120 1.00 0.71 C ATOM 1332 C ASP A 90 16.716 -0.735 -4.804 1.00 0.92 C ATOM 1333 O ASP A 90 17.171 -0.757 -5.936 1.00 1.13 O ATOM 1334 CB ASP A 90 17.251 -3.143 -4.357 1.00 0.87 C ATOM 1335 CG ASP A 90 16.911 -4.345 -3.467 1.00 0.98 C ATOM 1336 OD1 ASP A 90 15.984 -5.066 -3.802 1.00 1.12 O ATOM 1337 OD2 ASP A 90 17.586 -4.527 -2.468 1.00 1.16 O ATOM 0 H ASP A 90 14.916 -2.603 -5.687 1.00 0.56 H new ATOM 0 HA ASP A 90 16.143 -1.850 -3.047 1.00 0.71 H new ATOM 0 HB2 ASP A 90 17.239 -3.441 -5.406 1.00 0.87 H new ATOM 0 HB3 ASP A 90 18.258 -2.790 -4.137 1.00 0.87 H new ATOM 1342 N ARG A 91 16.608 0.381 -4.128 1.00 1.09 N ATOM 1343 CA ARG A 91 17.047 1.673 -4.730 1.00 1.40 C ATOM 1344 C ARG A 91 17.961 2.405 -3.745 1.00 2.09 C ATOM 1345 O ARG A 91 19.150 2.533 -3.977 1.00 2.35 O ATOM 1346 CB ARG A 91 15.820 2.533 -5.045 1.00 1.33 C ATOM 1347 CG ARG A 91 15.367 2.264 -6.482 1.00 1.15 C ATOM 1348 CD ARG A 91 13.986 1.604 -6.472 1.00 1.80 C ATOM 1349 NE ARG A 91 12.932 2.657 -6.508 1.00 2.05 N ATOM 1350 CZ ARG A 91 12.554 3.247 -5.404 1.00 2.33 C ATOM 1351 NH1 ARG A 91 11.920 2.568 -4.482 1.00 2.69 N ATOM 1352 NH2 ARG A 91 12.815 4.516 -5.219 1.00 2.64 N ATOM 0 H ARG A 91 16.233 0.451 -3.182 1.00 1.09 H new ATOM 0 HA ARG A 91 17.594 1.482 -5.653 1.00 1.40 H new ATOM 0 HB2 ARG A 91 15.013 2.304 -4.349 1.00 1.33 H new ATOM 0 HB3 ARG A 91 16.060 3.589 -4.919 1.00 1.33 H new ATOM 0 HG2 ARG A 91 15.330 3.198 -7.043 1.00 1.15 H new ATOM 0 HG3 ARG A 91 16.086 1.618 -6.985 1.00 1.15 H new ATOM 0 HD2 ARG A 91 13.882 0.941 -7.331 1.00 1.80 H new ATOM 0 HD3 ARG A 91 13.871 0.990 -5.579 1.00 1.80 H new ATOM 0 HE ARG A 91 12.504 2.918 -7.396 1.00 2.05 H new ATOM 0 HH11 ARG A 91 11.720 1.578 -4.624 1.00 2.69 H new ATOM 0 HH12 ARG A 91 11.625 3.029 -3.621 1.00 2.69 H new ATOM 0 HH21 ARG A 91 13.313 5.044 -5.936 1.00 2.64 H new ATOM 0 HH22 ARG A 91 12.520 4.977 -4.358 1.00 2.64 H new ATOM 1366 N VAL A 92 17.419 2.879 -2.646 1.00 2.68 N ATOM 1367 CA VAL A 92 18.260 3.596 -1.640 1.00 3.43 C ATOM 1368 C VAL A 92 18.025 2.987 -0.253 1.00 3.57 C ATOM 1369 O VAL A 92 16.924 3.020 0.273 1.00 3.66 O ATOM 1370 CB VAL A 92 17.899 5.089 -1.615 1.00 4.01 C ATOM 1371 CG1 VAL A 92 18.869 5.824 -0.687 1.00 4.78 C ATOM 1372 CG2 VAL A 92 18.009 5.680 -3.026 1.00 3.96 C ATOM 0 H VAL A 92 16.431 2.799 -2.405 1.00 2.68 H new ATOM 0 HA VAL A 92 19.310 3.491 -1.914 1.00 3.43 H new ATOM 0 HB VAL A 92 16.876 5.205 -1.256 1.00 4.01 H new ATOM 0 HG11 VAL A 92 18.618 6.885 -0.665 1.00 4.78 H new ATOM 0 HG12 VAL A 92 18.793 5.412 0.319 1.00 4.78 H new ATOM 0 HG13 VAL A 92 19.888 5.700 -1.054 1.00 4.78 H new ATOM 0 HG21 VAL A 92 17.751 6.739 -2.998 1.00 3.96 H new ATOM 0 HG22 VAL A 92 19.030 5.565 -3.390 1.00 3.96 H new ATOM 0 HG23 VAL A 92 17.324 5.157 -3.694 1.00 3.96 H new ATOM 1382 N GLY A 93 19.057 2.432 0.339 1.00 3.70 N ATOM 1383 CA GLY A 93 18.922 1.815 1.693 1.00 3.89 C ATOM 1384 C GLY A 93 18.630 0.321 1.548 1.00 3.45 C ATOM 1385 O GLY A 93 19.477 -0.513 1.815 1.00 3.43 O ATOM 0 H GLY A 93 19.993 2.381 -0.063 1.00 3.70 H new ATOM 0 HA2 GLY A 93 19.838 1.963 2.264 1.00 3.89 H new ATOM 0 HA3 GLY A 93 18.119 2.301 2.247 1.00 3.89 H new ATOM 1389 N HIS A 94 17.436 -0.020 1.127 1.00 3.16 N ATOM 1390 CA HIS A 94 17.069 -1.459 0.959 1.00 2.79 C ATOM 1391 C HIS A 94 17.813 -2.052 -0.250 1.00 2.30 C ATOM 1392 O HIS A 94 17.724 -1.480 -1.327 1.00 2.07 O ATOM 1393 CB HIS A 94 15.552 -1.571 0.753 1.00 2.79 C ATOM 1394 CG HIS A 94 15.115 -2.997 0.950 1.00 2.70 C ATOM 1395 ND1 HIS A 94 14.393 -3.688 -0.009 1.00 2.74 N ATOM 1396 CD2 HIS A 94 15.284 -3.871 1.995 1.00 2.85 C ATOM 1397 CE1 HIS A 94 14.157 -4.922 0.474 1.00 2.81 C ATOM 1398 NE2 HIS A 94 14.679 -5.086 1.692 1.00 2.85 N ATOM 1399 OXT HIS A 94 18.466 -3.067 -0.073 1.00 2.32 O ATOM 0 H HIS A 94 16.696 0.642 0.891 1.00 3.16 H new ATOM 0 HA HIS A 94 17.355 -2.016 1.851 1.00 2.79 H new ATOM 0 HB2 HIS A 94 15.031 -0.921 1.456 1.00 2.79 H new ATOM 0 HB3 HIS A 94 15.286 -1.235 -0.249 1.00 2.79 H new ATOM 0 HD1 HIS A 94 14.095 -3.328 -0.915 1.00 2.74 H new ATOM 0 HD2 HIS A 94 15.807 -3.649 2.913 1.00 2.85 H new ATOM 0 HE1 HIS A 94 13.612 -5.687 -0.059 1.00 2.81 H new TER 1407 HIS A 94