USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 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 71 GLN : amide:sc= -0.0458 X(o=-0.043,f=-0.048) USER MOD Set 1.2: A 75 ASN : amide:sc= 0.00277 X(o=-0.043,f=-0.048) USER MOD Set 2.1: A 15 THR OG1 : rot -80:sc= 1.04 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.896 USER MOD Single : A 1 MET CE :methyl 138:sc= -3.75! (180deg=-8.01!) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0537 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.216 USER MOD Single : A 5 THR OG1 : rot 55:sc= -0.176 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.345 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+ -130:sc= 0.00999 (180deg=-0.0699) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 22 SER OG : rot 49:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -104:sc= 0.0568 (180deg=-0.352) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.653 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0247 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 92:sc= 0.275 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 62 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.076) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-3.8!) USER MOD Single : A 82 SER OG : rot 70:sc= 0.803 USER MOD Single : A 94 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.763 -5.880 1.361 1.00 3.53 N ATOM 2 CA MET A 1 -20.339 -5.933 2.741 1.00 2.77 C ATOM 3 C MET A 1 -19.218 -5.765 3.775 1.00 3.10 C ATOM 4 O MET A 1 -18.067 -6.068 3.511 1.00 3.43 O ATOM 5 CB MET A 1 -21.033 -7.284 2.965 1.00 2.30 C ATOM 6 CG MET A 1 -22.544 -7.135 2.776 1.00 2.08 C ATOM 7 SD MET A 1 -23.298 -8.778 2.668 1.00 2.45 S ATOM 8 CE MET A 1 -23.811 -8.692 0.935 1.00 3.07 C ATOM 0 H1 MET A 1 -20.158 -6.654 0.790 1.00 3.53 H new ATOM 0 H2 MET A 1 -20.001 -4.969 0.920 1.00 3.53 H new ATOM 0 H3 MET A 1 -18.729 -5.980 1.412 1.00 3.53 H new ATOM 0 HA MET A 1 -21.065 -5.128 2.853 1.00 2.77 H new ATOM 0 HB2 MET A 1 -20.642 -8.023 2.266 1.00 2.30 H new ATOM 0 HB3 MET A 1 -20.818 -7.650 3.969 1.00 2.30 H new ATOM 0 HG2 MET A 1 -22.973 -6.579 3.610 1.00 2.08 H new ATOM 0 HG3 MET A 1 -22.755 -6.565 1.871 1.00 2.08 H new ATOM 0 HE1 MET A 1 -23.601 -9.643 0.446 1.00 3.07 H new ATOM 0 HE2 MET A 1 -24.880 -8.484 0.882 1.00 3.07 H new ATOM 0 HE3 MET A 1 -23.261 -7.896 0.432 1.00 3.07 H new ATOM 20 N SER A 2 -19.550 -5.291 4.954 1.00 3.34 N ATOM 21 CA SER A 2 -18.512 -5.099 6.017 1.00 3.89 C ATOM 22 C SER A 2 -18.925 -5.847 7.288 1.00 3.62 C ATOM 23 O SER A 2 -20.004 -5.637 7.817 1.00 3.79 O ATOM 24 CB SER A 2 -18.366 -3.608 6.339 1.00 4.73 C ATOM 25 OG SER A 2 -19.649 -3.050 6.601 1.00 4.71 O ATOM 0 H SER A 2 -20.497 -5.029 5.226 1.00 3.34 H new ATOM 0 HA SER A 2 -17.561 -5.490 5.655 1.00 3.89 H new ATOM 0 HB2 SER A 2 -17.716 -3.474 7.204 1.00 4.73 H new ATOM 0 HB3 SER A 2 -17.896 -3.089 5.504 1.00 4.73 H new ATOM 0 HG SER A 2 -20.170 -3.671 7.152 1.00 4.71 H new ATOM 31 N GLY A 3 -18.072 -6.713 7.782 1.00 3.48 N ATOM 32 CA GLY A 3 -18.397 -7.479 9.024 1.00 3.47 C ATOM 33 C GLY A 3 -19.533 -8.461 8.737 1.00 2.98 C ATOM 34 O GLY A 3 -19.315 -9.538 8.210 1.00 2.77 O ATOM 0 H GLY A 3 -17.160 -6.922 7.375 1.00 3.48 H new ATOM 0 HA2 GLY A 3 -17.516 -8.018 9.372 1.00 3.47 H new ATOM 0 HA3 GLY A 3 -18.687 -6.794 9.821 1.00 3.47 H new ATOM 38 N GLY A 4 -20.744 -8.092 9.080 1.00 3.20 N ATOM 39 CA GLY A 4 -21.910 -8.990 8.835 1.00 3.28 C ATOM 40 C GLY A 4 -22.551 -8.647 7.484 1.00 2.99 C ATOM 41 O GLY A 4 -22.550 -9.452 6.570 1.00 2.68 O ATOM 0 H GLY A 4 -20.973 -7.202 9.522 1.00 3.20 H new ATOM 0 HA2 GLY A 4 -21.587 -10.031 8.842 1.00 3.28 H new ATOM 0 HA3 GLY A 4 -22.642 -8.878 9.635 1.00 3.28 H new ATOM 45 N THR A 5 -23.099 -7.458 7.357 1.00 3.34 N ATOM 46 CA THR A 5 -23.749 -7.043 6.069 1.00 3.25 C ATOM 47 C THR A 5 -23.692 -5.509 5.928 1.00 3.63 C ATOM 48 O THR A 5 -23.307 -4.809 6.849 1.00 4.28 O ATOM 49 CB THR A 5 -25.212 -7.520 6.058 1.00 3.94 C ATOM 50 OG1 THR A 5 -25.828 -7.151 4.830 1.00 3.99 O ATOM 51 CG2 THR A 5 -25.980 -6.888 7.223 1.00 4.87 C ATOM 0 H THR A 5 -23.124 -6.754 8.095 1.00 3.34 H new ATOM 0 HA THR A 5 -23.218 -7.494 5.231 1.00 3.25 H new ATOM 0 HB THR A 5 -25.230 -8.605 6.164 1.00 3.94 H new ATOM 0 HG1 THR A 5 -25.297 -7.495 4.081 1.00 3.99 H new ATOM 0 HG21 THR A 5 -27.014 -7.232 7.206 1.00 4.87 H new ATOM 0 HG22 THR A 5 -25.516 -7.179 8.165 1.00 4.87 H new ATOM 0 HG23 THR A 5 -25.957 -5.802 7.128 1.00 4.87 H new ATOM 59 N ALA A 6 -24.071 -4.985 4.782 1.00 3.44 N ATOM 60 CA ALA A 6 -24.039 -3.500 4.574 1.00 4.07 C ATOM 61 C ALA A 6 -24.671 -3.155 3.219 1.00 4.24 C ATOM 62 O ALA A 6 -25.598 -2.369 3.142 1.00 4.92 O ATOM 63 CB ALA A 6 -22.589 -3.006 4.603 1.00 4.06 C ATOM 0 H ALA A 6 -24.401 -5.524 3.982 1.00 3.44 H new ATOM 0 HA ALA A 6 -24.602 -3.014 5.370 1.00 4.07 H new ATOM 0 HB1 ALA A 6 -22.569 -1.927 4.452 1.00 4.06 H new ATOM 0 HB2 ALA A 6 -22.142 -3.245 5.568 1.00 4.06 H new ATOM 0 HB3 ALA A 6 -22.022 -3.494 3.810 1.00 4.06 H new ATOM 69 N ALA A 7 -24.175 -3.745 2.155 1.00 3.69 N ATOM 70 CA ALA A 7 -24.736 -3.470 0.796 1.00 3.85 C ATOM 71 C ALA A 7 -25.502 -4.706 0.298 1.00 3.52 C ATOM 72 O ALA A 7 -25.590 -5.711 0.984 1.00 3.33 O ATOM 73 CB ALA A 7 -23.594 -3.145 -0.171 1.00 3.61 C ATOM 0 H ALA A 7 -23.401 -4.409 2.172 1.00 3.69 H new ATOM 0 HA ALA A 7 -25.417 -2.621 0.847 1.00 3.85 H new ATOM 0 HB1 ALA A 7 -24.002 -2.944 -1.162 1.00 3.61 H new ATOM 0 HB2 ALA A 7 -23.055 -2.266 0.184 1.00 3.61 H new ATOM 0 HB3 ALA A 7 -22.911 -3.992 -0.225 1.00 3.61 H new ATOM 79 N THR A 8 -26.063 -4.639 -0.890 1.00 3.62 N ATOM 80 CA THR A 8 -26.831 -5.805 -1.439 1.00 3.54 C ATOM 81 C THR A 8 -25.884 -6.984 -1.713 1.00 2.70 C ATOM 82 O THR A 8 -24.716 -6.799 -2.009 1.00 2.15 O ATOM 83 CB THR A 8 -27.535 -5.401 -2.745 1.00 3.90 C ATOM 84 OG1 THR A 8 -26.624 -4.701 -3.585 1.00 3.56 O ATOM 85 CG2 THR A 8 -28.733 -4.501 -2.429 1.00 4.87 C ATOM 0 H THR A 8 -26.021 -3.825 -1.503 1.00 3.62 H new ATOM 0 HA THR A 8 -27.576 -6.108 -0.703 1.00 3.54 H new ATOM 0 HB THR A 8 -27.882 -6.299 -3.257 1.00 3.90 H new ATOM 0 HG1 THR A 8 -27.075 -4.447 -4.417 1.00 3.56 H new ATOM 0 HG21 THR A 8 -29.229 -4.217 -3.357 1.00 4.87 H new ATOM 0 HG22 THR A 8 -29.435 -5.040 -1.792 1.00 4.87 H new ATOM 0 HG23 THR A 8 -28.389 -3.605 -1.912 1.00 4.87 H new ATOM 93 N THR A 9 -26.389 -8.193 -1.610 1.00 2.87 N ATOM 94 CA THR A 9 -25.544 -9.408 -1.854 1.00 2.48 C ATOM 95 C THR A 9 -25.258 -9.560 -3.360 1.00 2.18 C ATOM 96 O THR A 9 -25.914 -10.319 -4.053 1.00 2.61 O ATOM 97 CB THR A 9 -26.282 -10.657 -1.340 1.00 3.28 C ATOM 98 OG1 THR A 9 -27.607 -10.682 -1.861 1.00 3.96 O ATOM 99 CG2 THR A 9 -26.346 -10.635 0.188 1.00 3.51 C ATOM 0 H THR A 9 -27.359 -8.391 -1.365 1.00 2.87 H new ATOM 0 HA THR A 9 -24.598 -9.298 -1.323 1.00 2.48 H new ATOM 0 HB THR A 9 -25.741 -11.544 -1.668 1.00 3.28 H new ATOM 0 HG1 THR A 9 -27.576 -10.598 -2.837 1.00 3.96 H new ATOM 0 HG21 THR A 9 -26.870 -11.522 0.543 1.00 3.51 H new ATOM 0 HG22 THR A 9 -25.335 -10.624 0.594 1.00 3.51 H new ATOM 0 HG23 THR A 9 -26.879 -9.743 0.517 1.00 3.51 H new ATOM 107 N ALA A 10 -24.279 -8.844 -3.872 1.00 1.58 N ATOM 108 CA ALA A 10 -23.947 -8.946 -5.330 1.00 1.34 C ATOM 109 C ALA A 10 -22.592 -9.641 -5.515 1.00 1.18 C ATOM 110 O ALA A 10 -22.451 -10.511 -6.356 1.00 1.43 O ATOM 111 CB ALA A 10 -23.896 -7.545 -5.946 1.00 1.35 C ATOM 0 H ALA A 10 -23.698 -8.195 -3.342 1.00 1.58 H new ATOM 0 HA ALA A 10 -24.718 -9.534 -5.829 1.00 1.34 H new ATOM 0 HB1 ALA A 10 -23.654 -7.622 -7.006 1.00 1.35 H new ATOM 0 HB2 ALA A 10 -24.865 -7.061 -5.829 1.00 1.35 H new ATOM 0 HB3 ALA A 10 -23.132 -6.953 -5.442 1.00 1.35 H new ATOM 117 N GLY A 11 -21.594 -9.269 -4.743 1.00 1.04 N ATOM 118 CA GLY A 11 -20.251 -9.914 -4.880 1.00 1.21 C ATOM 119 C GLY A 11 -19.488 -9.289 -6.054 1.00 1.03 C ATOM 120 O GLY A 11 -19.157 -9.964 -7.012 1.00 1.42 O ATOM 0 H GLY A 11 -21.655 -8.547 -4.025 1.00 1.04 H new ATOM 0 HA2 GLY A 11 -19.683 -9.789 -3.958 1.00 1.21 H new ATOM 0 HA3 GLY A 11 -20.368 -10.986 -5.040 1.00 1.21 H new ATOM 124 N SER A 12 -19.204 -8.007 -5.981 1.00 0.77 N ATOM 125 CA SER A 12 -18.456 -7.326 -7.085 1.00 0.95 C ATOM 126 C SER A 12 -17.084 -6.863 -6.559 1.00 0.94 C ATOM 127 O SER A 12 -16.819 -5.679 -6.434 1.00 1.04 O ATOM 128 CB SER A 12 -19.265 -6.120 -7.581 1.00 1.11 C ATOM 129 OG SER A 12 -19.870 -6.437 -8.827 1.00 1.57 O ATOM 0 H SER A 12 -19.460 -7.403 -5.200 1.00 0.77 H new ATOM 0 HA SER A 12 -18.307 -8.019 -7.913 1.00 0.95 H new ATOM 0 HB2 SER A 12 -20.029 -5.855 -6.850 1.00 1.11 H new ATOM 0 HB3 SER A 12 -18.615 -5.252 -7.690 1.00 1.11 H new ATOM 0 HG SER A 12 -20.388 -5.668 -9.144 1.00 1.57 H new ATOM 135 N LYS A 13 -16.213 -7.797 -6.247 1.00 0.93 N ATOM 136 CA LYS A 13 -14.856 -7.432 -5.722 1.00 0.96 C ATOM 137 C LYS A 13 -13.771 -8.167 -6.522 1.00 0.91 C ATOM 138 O LYS A 13 -14.018 -9.200 -7.119 1.00 0.95 O ATOM 139 CB LYS A 13 -14.743 -7.833 -4.246 1.00 1.06 C ATOM 140 CG LYS A 13 -15.877 -7.192 -3.438 1.00 1.22 C ATOM 141 CD LYS A 13 -15.735 -7.587 -1.965 1.00 1.47 C ATOM 142 CE LYS A 13 -15.901 -6.347 -1.081 1.00 1.76 C ATOM 143 NZ LYS A 13 -15.413 -6.639 0.300 1.00 2.09 N ATOM 0 H LYS A 13 -16.385 -8.799 -6.334 1.00 0.93 H new ATOM 0 HA LYS A 13 -14.720 -6.355 -5.822 1.00 0.96 H new ATOM 0 HB2 LYS A 13 -14.787 -8.918 -4.151 1.00 1.06 H new ATOM 0 HB3 LYS A 13 -13.779 -7.517 -3.848 1.00 1.06 H new ATOM 0 HG2 LYS A 13 -15.844 -6.107 -3.540 1.00 1.22 H new ATOM 0 HG3 LYS A 13 -16.843 -7.519 -3.823 1.00 1.22 H new ATOM 0 HD2 LYS A 13 -16.485 -8.334 -1.705 1.00 1.47 H new ATOM 0 HD3 LYS A 13 -14.759 -8.041 -1.792 1.00 1.47 H new ATOM 0 HE2 LYS A 13 -15.344 -5.511 -1.504 1.00 1.76 H new ATOM 0 HE3 LYS A 13 -16.949 -6.049 -1.050 1.00 1.76 H new ATOM 0 HZ1 LYS A 13 -15.528 -5.794 0.895 1.00 2.09 H new ATOM 0 HZ2 LYS A 13 -15.963 -7.424 0.704 1.00 2.09 H new ATOM 0 HZ3 LYS A 13 -14.408 -6.903 0.264 1.00 2.09 H new ATOM 157 N VAL A 14 -12.568 -7.642 -6.524 1.00 0.87 N ATOM 158 CA VAL A 14 -11.444 -8.301 -7.268 1.00 0.82 C ATOM 159 C VAL A 14 -10.457 -8.909 -6.261 1.00 0.80 C ATOM 160 O VAL A 14 -9.939 -8.226 -5.391 1.00 0.82 O ATOM 161 CB VAL A 14 -10.715 -7.276 -8.154 1.00 0.80 C ATOM 162 CG1 VAL A 14 -11.544 -6.999 -9.410 1.00 0.83 C ATOM 163 CG2 VAL A 14 -10.507 -5.965 -7.386 1.00 0.82 C ATOM 0 H VAL A 14 -12.314 -6.781 -6.040 1.00 0.87 H new ATOM 0 HA VAL A 14 -11.851 -9.086 -7.905 1.00 0.82 H new ATOM 0 HB VAL A 14 -9.744 -7.684 -8.436 1.00 0.80 H new ATOM 0 HG11 VAL A 14 -11.025 -6.273 -10.036 1.00 0.83 H new ATOM 0 HG12 VAL A 14 -11.681 -7.926 -9.967 1.00 0.83 H new ATOM 0 HG13 VAL A 14 -12.517 -6.601 -9.123 1.00 0.83 H new ATOM 0 HG21 VAL A 14 -9.990 -5.248 -8.024 1.00 0.82 H new ATOM 0 HG22 VAL A 14 -11.475 -5.558 -7.092 1.00 0.82 H new ATOM 0 HG23 VAL A 14 -9.908 -6.156 -6.495 1.00 0.82 H new ATOM 173 N THR A 15 -10.198 -10.193 -6.372 1.00 0.78 N ATOM 174 CA THR A 15 -9.250 -10.868 -5.429 1.00 0.77 C ATOM 175 C THR A 15 -7.872 -10.993 -6.094 1.00 0.66 C ATOM 176 O THR A 15 -7.767 -11.300 -7.269 1.00 0.69 O ATOM 177 CB THR A 15 -9.786 -12.263 -5.079 1.00 0.87 C ATOM 178 OG1 THR A 15 -11.125 -12.154 -4.615 1.00 1.01 O ATOM 179 CG2 THR A 15 -8.919 -12.891 -3.983 1.00 0.92 C ATOM 0 H THR A 15 -10.606 -10.804 -7.080 1.00 0.78 H new ATOM 0 HA THR A 15 -9.158 -10.278 -4.517 1.00 0.77 H new ATOM 0 HB THR A 15 -9.757 -12.892 -5.969 1.00 0.87 H new ATOM 0 HG1 THR A 15 -11.124 -11.877 -3.675 1.00 1.01 H new ATOM 0 HG21 THR A 15 -9.303 -13.881 -3.738 1.00 0.92 H new ATOM 0 HG22 THR A 15 -7.892 -12.978 -4.337 1.00 0.92 H new ATOM 0 HG23 THR A 15 -8.944 -12.261 -3.094 1.00 0.92 H new ATOM 187 N PHE A 16 -6.817 -10.750 -5.349 1.00 0.62 N ATOM 188 CA PHE A 16 -5.441 -10.843 -5.930 1.00 0.53 C ATOM 189 C PHE A 16 -4.598 -11.850 -5.136 1.00 0.53 C ATOM 190 O PHE A 16 -4.578 -11.839 -3.918 1.00 0.69 O ATOM 191 CB PHE A 16 -4.769 -9.466 -5.874 1.00 0.56 C ATOM 192 CG PHE A 16 -5.658 -8.434 -6.537 1.00 0.56 C ATOM 193 CD1 PHE A 16 -5.808 -8.429 -7.929 1.00 0.58 C ATOM 194 CD2 PHE A 16 -6.335 -7.483 -5.758 1.00 0.63 C ATOM 195 CE1 PHE A 16 -6.631 -7.478 -8.542 1.00 0.63 C ATOM 196 CE2 PHE A 16 -7.158 -6.534 -6.374 1.00 0.68 C ATOM 197 CZ PHE A 16 -7.305 -6.531 -7.765 1.00 0.66 C ATOM 0 H PHE A 16 -6.852 -10.491 -4.363 1.00 0.62 H new ATOM 0 HA PHE A 16 -5.516 -11.177 -6.965 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -4.580 -9.185 -4.838 1.00 0.56 H new ATOM 0 HB3 PHE A 16 -3.802 -9.502 -6.376 1.00 0.56 H new ATOM 0 HD1 PHE A 16 -5.288 -9.160 -8.530 1.00 0.58 H new ATOM 0 HD2 PHE A 16 -6.221 -7.484 -4.684 1.00 0.63 H new ATOM 0 HE1 PHE A 16 -6.746 -7.475 -9.616 1.00 0.63 H new ATOM 0 HE2 PHE A 16 -7.680 -5.803 -5.775 1.00 0.68 H new ATOM 0 HZ PHE A 16 -7.939 -5.797 -8.239 1.00 0.66 H new ATOM 207 N LYS A 17 -3.892 -12.712 -5.831 1.00 0.46 N ATOM 208 CA LYS A 17 -3.026 -13.726 -5.152 1.00 0.48 C ATOM 209 C LYS A 17 -1.558 -13.341 -5.369 1.00 0.43 C ATOM 210 O LYS A 17 -1.004 -13.547 -6.434 1.00 0.46 O ATOM 211 CB LYS A 17 -3.293 -15.116 -5.750 1.00 0.56 C ATOM 212 CG LYS A 17 -3.085 -16.191 -4.677 1.00 0.92 C ATOM 213 CD LYS A 17 -1.845 -17.025 -5.016 1.00 1.36 C ATOM 214 CE LYS A 17 -1.885 -18.339 -4.227 1.00 1.69 C ATOM 215 NZ LYS A 17 -0.502 -18.870 -4.053 1.00 2.02 N ATOM 0 H LYS A 17 -3.880 -12.755 -6.850 1.00 0.46 H new ATOM 0 HA LYS A 17 -3.248 -13.752 -4.085 1.00 0.48 H new ATOM 0 HB2 LYS A 17 -4.311 -15.167 -6.136 1.00 0.56 H new ATOM 0 HB3 LYS A 17 -2.624 -15.295 -6.592 1.00 0.56 H new ATOM 0 HG2 LYS A 17 -2.965 -15.724 -3.699 1.00 0.92 H new ATOM 0 HG3 LYS A 17 -3.963 -16.834 -4.618 1.00 0.92 H new ATOM 0 HD2 LYS A 17 -1.813 -17.231 -6.086 1.00 1.36 H new ATOM 0 HD3 LYS A 17 -0.940 -16.468 -4.771 1.00 1.36 H new ATOM 0 HE2 LYS A 17 -2.346 -18.174 -3.253 1.00 1.69 H new ATOM 0 HE3 LYS A 17 -2.501 -19.069 -4.752 1.00 1.69 H new ATOM 0 HZ1 LYS A 17 -0.476 -19.870 -4.336 1.00 2.02 H new ATOM 0 HZ2 LYS A 17 0.156 -18.325 -4.646 1.00 2.02 H new ATOM 0 HZ3 LYS A 17 -0.221 -18.786 -3.055 1.00 2.02 H new ATOM 229 N ILE A 18 -0.933 -12.764 -4.370 1.00 0.45 N ATOM 230 CA ILE A 18 0.495 -12.340 -4.512 1.00 0.43 C ATOM 231 C ILE A 18 1.410 -13.315 -3.758 1.00 0.45 C ATOM 232 O ILE A 18 1.199 -13.601 -2.596 1.00 0.60 O ATOM 233 CB ILE A 18 0.672 -10.930 -3.934 1.00 0.44 C ATOM 234 CG1 ILE A 18 -0.399 -9.989 -4.503 1.00 0.47 C ATOM 235 CG2 ILE A 18 2.056 -10.397 -4.306 1.00 0.51 C ATOM 236 CD1 ILE A 18 -1.375 -9.593 -3.394 1.00 0.61 C ATOM 0 H ILE A 18 -1.352 -12.568 -3.461 1.00 0.45 H new ATOM 0 HA ILE A 18 0.762 -12.341 -5.569 1.00 0.43 H new ATOM 0 HB ILE A 18 0.571 -10.977 -2.850 1.00 0.44 H new ATOM 0 HG12 ILE A 18 0.070 -9.099 -4.923 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -0.935 -10.480 -5.315 1.00 0.47 H new ATOM 0 HG21 ILE A 18 2.182 -9.395 -3.896 1.00 0.51 H new ATOM 0 HG22 ILE A 18 2.822 -11.056 -3.897 1.00 0.51 H new ATOM 0 HG23 ILE A 18 2.152 -10.359 -5.391 1.00 0.51 H new ATOM 0 HD11 ILE A 18 -2.135 -8.925 -3.799 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -1.854 -10.487 -2.994 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -0.833 -9.085 -2.597 1.00 0.61 H new ATOM 248 N THR A 19 2.430 -13.813 -4.416 1.00 0.46 N ATOM 249 CA THR A 19 3.383 -14.760 -3.754 1.00 0.49 C ATOM 250 C THR A 19 4.719 -14.043 -3.511 1.00 0.41 C ATOM 251 O THR A 19 5.335 -13.535 -4.431 1.00 0.45 O ATOM 252 CB THR A 19 3.607 -15.982 -4.657 1.00 0.63 C ATOM 253 OG1 THR A 19 2.355 -16.584 -4.961 1.00 0.85 O ATOM 254 CG2 THR A 19 4.498 -17.000 -3.939 1.00 0.73 C ATOM 0 H THR A 19 2.645 -13.602 -5.391 1.00 0.46 H new ATOM 0 HA THR A 19 2.968 -15.092 -2.802 1.00 0.49 H new ATOM 0 HB THR A 19 4.093 -15.662 -5.579 1.00 0.63 H new ATOM 0 HG1 THR A 19 2.498 -17.363 -5.539 1.00 0.85 H new ATOM 0 HG21 THR A 19 4.654 -17.865 -4.583 1.00 0.73 H new ATOM 0 HG22 THR A 19 5.460 -16.542 -3.707 1.00 0.73 H new ATOM 0 HG23 THR A 19 4.015 -17.318 -3.015 1.00 0.73 H new ATOM 262 N LEU A 20 5.166 -13.997 -2.276 1.00 0.43 N ATOM 263 CA LEU A 20 6.460 -13.311 -1.953 1.00 0.43 C ATOM 264 C LEU A 20 7.632 -14.078 -2.581 1.00 0.48 C ATOM 265 O LEU A 20 7.655 -15.297 -2.590 1.00 0.57 O ATOM 266 CB LEU A 20 6.635 -13.255 -0.430 1.00 0.50 C ATOM 267 CG LEU A 20 7.739 -12.257 -0.059 1.00 0.55 C ATOM 268 CD1 LEU A 20 7.324 -10.842 -0.471 1.00 0.66 C ATOM 269 CD2 LEU A 20 7.967 -12.298 1.453 1.00 0.65 C ATOM 0 H LEU A 20 4.687 -14.407 -1.474 1.00 0.43 H new ATOM 0 HA LEU A 20 6.444 -12.299 -2.358 1.00 0.43 H new ATOM 0 HB2 LEU A 20 5.697 -12.962 0.040 1.00 0.50 H new ATOM 0 HB3 LEU A 20 6.887 -14.245 -0.049 1.00 0.50 H new ATOM 0 HG LEU A 20 8.658 -12.526 -0.580 1.00 0.55 H new ATOM 0 HD11 LEU A 20 8.113 -10.139 -0.204 1.00 0.66 H new ATOM 0 HD12 LEU A 20 7.159 -10.810 -1.548 1.00 0.66 H new ATOM 0 HD13 LEU A 20 6.404 -10.568 0.045 1.00 0.66 H new ATOM 0 HD21 LEU A 20 8.751 -11.590 1.722 1.00 0.65 H new ATOM 0 HD22 LEU A 20 7.044 -12.030 1.968 1.00 0.65 H new ATOM 0 HD23 LEU A 20 8.268 -13.303 1.748 1.00 0.65 H new ATOM 281 N THR A 21 8.602 -13.365 -3.108 1.00 0.54 N ATOM 282 CA THR A 21 9.780 -14.034 -3.746 1.00 0.66 C ATOM 283 C THR A 21 11.087 -13.490 -3.135 1.00 0.74 C ATOM 284 O THR A 21 12.034 -13.188 -3.841 1.00 0.96 O ATOM 285 CB THR A 21 9.761 -13.770 -5.264 1.00 0.77 C ATOM 286 OG1 THR A 21 9.818 -12.367 -5.514 1.00 0.83 O ATOM 287 CG2 THR A 21 8.480 -14.348 -5.876 1.00 0.81 C ATOM 0 H THR A 21 8.627 -12.345 -3.123 1.00 0.54 H new ATOM 0 HA THR A 21 9.726 -15.108 -3.566 1.00 0.66 H new ATOM 0 HB THR A 21 10.627 -14.251 -5.718 1.00 0.77 H new ATOM 0 HG1 THR A 21 9.807 -12.206 -6.481 1.00 0.83 H new ATOM 0 HG21 THR A 21 8.472 -14.158 -6.949 1.00 0.81 H new ATOM 0 HG22 THR A 21 8.444 -15.423 -5.697 1.00 0.81 H new ATOM 0 HG23 THR A 21 7.612 -13.875 -5.417 1.00 0.81 H new ATOM 295 N SER A 22 11.144 -13.369 -1.826 1.00 0.67 N ATOM 296 CA SER A 22 12.388 -12.851 -1.171 1.00 0.78 C ATOM 297 C SER A 22 12.428 -13.286 0.300 1.00 0.73 C ATOM 298 O SER A 22 13.292 -14.045 0.701 1.00 0.84 O ATOM 299 CB SER A 22 12.416 -11.321 -1.259 1.00 0.88 C ATOM 300 OG SER A 22 13.513 -10.918 -2.070 1.00 1.37 O ATOM 0 H SER A 22 10.385 -13.606 -1.187 1.00 0.67 H new ATOM 0 HA SER A 22 13.258 -13.260 -1.685 1.00 0.78 H new ATOM 0 HB2 SER A 22 11.481 -10.952 -1.682 1.00 0.88 H new ATOM 0 HB3 SER A 22 12.507 -10.889 -0.262 1.00 0.88 H new ATOM 0 HG SER A 22 13.507 -11.429 -2.906 1.00 1.37 H new ATOM 306 N ASP A 23 11.505 -12.808 1.106 1.00 0.70 N ATOM 307 CA ASP A 23 11.493 -13.191 2.554 1.00 0.74 C ATOM 308 C ASP A 23 10.756 -14.529 2.733 1.00 0.63 C ATOM 309 O ASP A 23 9.809 -14.813 2.020 1.00 0.58 O ATOM 310 CB ASP A 23 10.786 -12.101 3.372 1.00 0.84 C ATOM 311 CG ASP A 23 11.827 -11.149 3.975 1.00 1.38 C ATOM 312 OD1 ASP A 23 12.320 -11.446 5.052 1.00 1.99 O ATOM 313 OD2 ASP A 23 12.111 -10.140 3.350 1.00 1.66 O ATOM 0 H ASP A 23 10.761 -12.170 0.822 1.00 0.70 H new ATOM 0 HA ASP A 23 12.520 -13.296 2.904 1.00 0.74 H new ATOM 0 HB2 ASP A 23 10.096 -11.546 2.736 1.00 0.84 H new ATOM 0 HB3 ASP A 23 10.192 -12.556 4.165 1.00 0.84 H new ATOM 318 N PRO A 24 11.219 -15.312 3.684 1.00 0.67 N ATOM 319 CA PRO A 24 10.632 -16.634 3.993 1.00 0.69 C ATOM 320 C PRO A 24 9.326 -16.493 4.793 1.00 0.70 C ATOM 321 O PRO A 24 8.480 -17.369 4.761 1.00 0.77 O ATOM 322 CB PRO A 24 11.713 -17.319 4.834 1.00 0.81 C ATOM 323 CG PRO A 24 12.586 -16.190 5.430 1.00 0.84 C ATOM 324 CD PRO A 24 12.371 -14.950 4.542 1.00 0.78 C ATOM 0 HA PRO A 24 10.368 -17.195 3.096 1.00 0.69 H new ATOM 0 HB2 PRO A 24 11.266 -17.922 5.624 1.00 0.81 H new ATOM 0 HB3 PRO A 24 12.313 -17.991 4.221 1.00 0.81 H new ATOM 0 HG2 PRO A 24 12.299 -15.982 6.461 1.00 0.84 H new ATOM 0 HG3 PRO A 24 13.637 -16.479 5.443 1.00 0.84 H new ATOM 0 HD2 PRO A 24 12.159 -14.064 5.140 1.00 0.78 H new ATOM 0 HD3 PRO A 24 13.257 -14.728 3.947 1.00 0.78 H new ATOM 332 N LYS A 25 9.158 -15.403 5.511 1.00 0.80 N ATOM 333 CA LYS A 25 7.913 -15.202 6.317 1.00 0.91 C ATOM 334 C LYS A 25 6.715 -15.017 5.375 1.00 0.75 C ATOM 335 O LYS A 25 6.673 -14.087 4.589 1.00 0.73 O ATOM 336 CB LYS A 25 8.075 -13.960 7.201 1.00 1.16 C ATOM 337 CG LYS A 25 9.129 -14.227 8.282 1.00 1.38 C ATOM 338 CD LYS A 25 10.474 -13.623 7.857 1.00 1.49 C ATOM 339 CE LYS A 25 11.152 -12.980 9.072 1.00 1.59 C ATOM 340 NZ LYS A 25 11.874 -11.745 8.650 1.00 1.90 N ATOM 0 H LYS A 25 9.835 -14.642 5.571 1.00 0.80 H new ATOM 0 HA LYS A 25 7.741 -16.074 6.947 1.00 0.91 H new ATOM 0 HB2 LYS A 25 8.373 -13.106 6.593 1.00 1.16 H new ATOM 0 HB3 LYS A 25 7.122 -13.705 7.664 1.00 1.16 H new ATOM 0 HG2 LYS A 25 8.809 -13.794 9.230 1.00 1.38 H new ATOM 0 HG3 LYS A 25 9.236 -15.300 8.441 1.00 1.38 H new ATOM 0 HD2 LYS A 25 11.116 -14.397 7.436 1.00 1.49 H new ATOM 0 HD3 LYS A 25 10.320 -12.878 7.076 1.00 1.49 H new ATOM 0 HE2 LYS A 25 10.407 -12.736 9.830 1.00 1.59 H new ATOM 0 HE3 LYS A 25 11.850 -13.684 9.526 1.00 1.59 H new ATOM 0 HZ1 LYS A 25 12.333 -11.311 9.477 1.00 1.90 H new ATOM 0 HZ2 LYS A 25 12.596 -11.989 7.942 1.00 1.90 H new ATOM 0 HZ3 LYS A 25 11.198 -11.072 8.237 1.00 1.90 H new ATOM 354 N LEU A 26 5.745 -15.909 5.452 1.00 0.71 N ATOM 355 CA LEU A 26 4.533 -15.824 4.571 1.00 0.59 C ATOM 356 C LEU A 26 4.938 -16.088 3.108 1.00 0.51 C ATOM 357 O LEU A 26 5.570 -15.255 2.482 1.00 0.53 O ATOM 358 CB LEU A 26 3.891 -14.432 4.691 1.00 0.61 C ATOM 359 CG LEU A 26 2.382 -14.574 4.916 1.00 0.96 C ATOM 360 CD1 LEU A 26 2.092 -14.667 6.415 1.00 1.42 C ATOM 361 CD2 LEU A 26 1.663 -13.352 4.336 1.00 1.01 C ATOM 0 H LEU A 26 5.745 -16.700 6.096 1.00 0.71 H new ATOM 0 HA LEU A 26 3.809 -16.575 4.886 1.00 0.59 H new ATOM 0 HB2 LEU A 26 4.341 -13.884 5.519 1.00 0.61 H new ATOM 0 HB3 LEU A 26 4.080 -13.855 3.786 1.00 0.61 H new ATOM 0 HG LEU A 26 2.027 -15.478 4.421 1.00 0.96 H new ATOM 0 HD11 LEU A 26 1.018 -14.768 6.572 1.00 1.42 H new ATOM 0 HD12 LEU A 26 2.603 -15.535 6.831 1.00 1.42 H new ATOM 0 HD13 LEU A 26 2.448 -13.764 6.911 1.00 1.42 H new ATOM 0 HD21 LEU A 26 0.589 -13.452 4.495 1.00 1.01 H new ATOM 0 HD22 LEU A 26 2.021 -12.450 4.832 1.00 1.01 H new ATOM 0 HD23 LEU A 26 1.866 -13.284 3.267 1.00 1.01 H new ATOM 373 N PRO A 27 4.560 -17.245 2.603 1.00 0.59 N ATOM 374 CA PRO A 27 4.870 -17.646 1.215 1.00 0.66 C ATOM 375 C PRO A 27 3.965 -16.903 0.223 1.00 0.60 C ATOM 376 O PRO A 27 4.429 -16.378 -0.771 1.00 0.67 O ATOM 377 CB PRO A 27 4.596 -19.153 1.202 1.00 0.89 C ATOM 378 CG PRO A 27 3.631 -19.432 2.379 1.00 0.94 C ATOM 379 CD PRO A 27 3.787 -18.255 3.361 1.00 0.76 C ATOM 0 HA PRO A 27 5.891 -17.408 0.918 1.00 0.66 H new ATOM 0 HB2 PRO A 27 4.152 -19.459 0.255 1.00 0.89 H new ATOM 0 HB3 PRO A 27 5.522 -19.717 1.317 1.00 0.89 H new ATOM 0 HG2 PRO A 27 2.602 -19.510 2.027 1.00 0.94 H new ATOM 0 HG3 PRO A 27 3.874 -20.377 2.864 1.00 0.94 H new ATOM 0 HD2 PRO A 27 2.818 -17.864 3.670 1.00 0.76 H new ATOM 0 HD3 PRO A 27 4.311 -18.560 4.267 1.00 0.76 H new ATOM 387 N PHE A 28 2.680 -16.849 0.494 1.00 0.59 N ATOM 388 CA PHE A 28 1.738 -16.134 -0.423 1.00 0.59 C ATOM 389 C PHE A 28 0.713 -15.337 0.400 1.00 0.52 C ATOM 390 O PHE A 28 0.577 -15.527 1.598 1.00 0.60 O ATOM 391 CB PHE A 28 1.014 -17.148 -1.323 1.00 0.74 C ATOM 392 CG PHE A 28 0.238 -18.138 -0.481 1.00 0.90 C ATOM 393 CD1 PHE A 28 0.861 -19.305 -0.020 1.00 1.13 C ATOM 394 CD2 PHE A 28 -1.104 -17.892 -0.168 1.00 1.06 C ATOM 395 CE1 PHE A 28 0.143 -20.222 0.755 1.00 1.41 C ATOM 396 CE2 PHE A 28 -1.822 -18.809 0.609 1.00 1.36 C ATOM 397 CZ PHE A 28 -1.198 -19.975 1.069 1.00 1.51 C ATOM 0 H PHE A 28 2.244 -17.271 1.314 1.00 0.59 H new ATOM 0 HA PHE A 28 2.304 -15.445 -1.049 1.00 0.59 H new ATOM 0 HB2 PHE A 28 0.337 -16.626 -1.999 1.00 0.74 H new ATOM 0 HB3 PHE A 28 1.738 -17.677 -1.943 1.00 0.74 H new ATOM 0 HD1 PHE A 28 1.896 -19.497 -0.263 1.00 1.13 H new ATOM 0 HD2 PHE A 28 -1.586 -16.994 -0.526 1.00 1.06 H new ATOM 0 HE1 PHE A 28 0.624 -21.121 1.111 1.00 1.41 H new ATOM 0 HE2 PHE A 28 -2.856 -18.617 0.853 1.00 1.36 H new ATOM 0 HZ PHE A 28 -1.752 -20.684 1.666 1.00 1.51 H new ATOM 407 N LYS A 29 -0.004 -14.443 -0.240 1.00 0.52 N ATOM 408 CA LYS A 29 -1.021 -13.618 0.483 1.00 0.53 C ATOM 409 C LYS A 29 -2.208 -13.337 -0.447 1.00 0.54 C ATOM 410 O LYS A 29 -2.038 -12.876 -1.563 1.00 0.58 O ATOM 411 CB LYS A 29 -0.386 -12.293 0.919 1.00 0.66 C ATOM 412 CG LYS A 29 -0.803 -11.964 2.355 1.00 0.80 C ATOM 413 CD LYS A 29 -1.750 -10.761 2.354 1.00 0.98 C ATOM 414 CE LYS A 29 -2.993 -11.088 3.187 1.00 1.20 C ATOM 415 NZ LYS A 29 -3.948 -9.943 3.140 1.00 1.25 N ATOM 0 H LYS A 29 0.073 -14.249 -1.238 1.00 0.52 H new ATOM 0 HA LYS A 29 -1.371 -14.160 1.362 1.00 0.53 H new ATOM 0 HB2 LYS A 29 0.700 -12.361 0.853 1.00 0.66 H new ATOM 0 HB3 LYS A 29 -0.697 -11.492 0.248 1.00 0.66 H new ATOM 0 HG2 LYS A 29 -1.294 -12.825 2.808 1.00 0.80 H new ATOM 0 HG3 LYS A 29 0.078 -11.745 2.959 1.00 0.80 H new ATOM 0 HD2 LYS A 29 -1.244 -9.887 2.764 1.00 0.98 H new ATOM 0 HD3 LYS A 29 -2.039 -10.513 1.333 1.00 0.98 H new ATOM 0 HE2 LYS A 29 -3.472 -11.989 2.804 1.00 1.20 H new ATOM 0 HE3 LYS A 29 -2.707 -11.293 4.219 1.00 1.20 H new ATOM 0 HZ1 LYS A 29 -3.905 -9.418 4.037 1.00 1.25 H new ATOM 0 HZ2 LYS A 29 -3.693 -9.310 2.355 1.00 1.25 H new ATOM 0 HZ3 LYS A 29 -4.913 -10.302 2.995 1.00 1.25 H new ATOM 429 N VAL A 30 -3.406 -13.611 0.010 1.00 0.59 N ATOM 430 CA VAL A 30 -4.618 -13.365 -0.833 1.00 0.65 C ATOM 431 C VAL A 30 -5.306 -12.077 -0.362 1.00 0.67 C ATOM 432 O VAL A 30 -5.681 -11.951 0.792 1.00 0.78 O ATOM 433 CB VAL A 30 -5.584 -14.550 -0.704 1.00 0.77 C ATOM 434 CG1 VAL A 30 -6.766 -14.358 -1.657 1.00 0.89 C ATOM 435 CG2 VAL A 30 -4.854 -15.849 -1.061 1.00 0.83 C ATOM 0 H VAL A 30 -3.597 -13.996 0.935 1.00 0.59 H new ATOM 0 HA VAL A 30 -4.324 -13.259 -1.877 1.00 0.65 H new ATOM 0 HB VAL A 30 -5.948 -14.605 0.322 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.450 -15.201 -1.563 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -7.290 -13.436 -1.406 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -6.401 -14.300 -2.682 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -5.541 -16.690 -0.969 1.00 0.83 H new ATOM 0 HG22 VAL A 30 -4.487 -15.791 -2.086 1.00 0.83 H new ATOM 0 HG23 VAL A 30 -4.013 -15.992 -0.383 1.00 0.83 H new ATOM 445 N LEU A 31 -5.468 -11.120 -1.248 1.00 0.64 N ATOM 446 CA LEU A 31 -6.124 -9.833 -0.865 1.00 0.68 C ATOM 447 C LEU A 31 -7.463 -9.696 -1.601 1.00 0.71 C ATOM 448 O LEU A 31 -7.508 -9.579 -2.813 1.00 0.66 O ATOM 449 CB LEU A 31 -5.206 -8.663 -1.239 1.00 0.67 C ATOM 450 CG LEU A 31 -4.716 -7.966 0.034 1.00 0.79 C ATOM 451 CD1 LEU A 31 -3.191 -7.841 -0.004 1.00 0.90 C ATOM 452 CD2 LEU A 31 -5.340 -6.571 0.125 1.00 1.00 C ATOM 0 H LEU A 31 -5.172 -11.178 -2.222 1.00 0.64 H new ATOM 0 HA LEU A 31 -6.305 -9.823 0.210 1.00 0.68 H new ATOM 0 HB2 LEU A 31 -4.356 -9.025 -1.817 1.00 0.67 H new ATOM 0 HB3 LEU A 31 -5.742 -7.954 -1.870 1.00 0.67 H new ATOM 0 HG LEU A 31 -5.010 -8.553 0.904 1.00 0.79 H new ATOM 0 HD11 LEU A 31 -2.844 -7.345 0.902 1.00 0.90 H new ATOM 0 HD12 LEU A 31 -2.746 -8.834 -0.067 1.00 0.90 H new ATOM 0 HD13 LEU A 31 -2.896 -7.255 -0.874 1.00 0.90 H new ATOM 0 HD21 LEU A 31 -4.991 -6.075 1.031 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.048 -5.984 -0.746 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -6.426 -6.659 0.155 1.00 1.00 H new ATOM 464 N SER A 32 -8.553 -9.706 -0.869 1.00 0.84 N ATOM 465 CA SER A 32 -9.900 -9.573 -1.504 1.00 0.88 C ATOM 466 C SER A 32 -10.435 -8.157 -1.257 1.00 0.93 C ATOM 467 O SER A 32 -10.860 -7.826 -0.163 1.00 1.01 O ATOM 468 CB SER A 32 -10.857 -10.604 -0.899 1.00 0.97 C ATOM 469 OG SER A 32 -11.444 -11.370 -1.942 1.00 1.25 O ATOM 0 H SER A 32 -8.565 -9.801 0.146 1.00 0.84 H new ATOM 0 HA SER A 32 -9.820 -9.749 -2.577 1.00 0.88 H new ATOM 0 HB2 SER A 32 -10.319 -11.257 -0.212 1.00 0.97 H new ATOM 0 HB3 SER A 32 -11.632 -10.102 -0.321 1.00 0.97 H new ATOM 0 HG SER A 32 -12.056 -12.032 -1.557 1.00 1.25 H new ATOM 475 N VAL A 33 -10.412 -7.319 -2.267 1.00 0.89 N ATOM 476 CA VAL A 33 -10.912 -5.915 -2.105 1.00 0.95 C ATOM 477 C VAL A 33 -11.791 -5.537 -3.305 1.00 0.95 C ATOM 478 O VAL A 33 -11.701 -6.150 -4.352 1.00 0.91 O ATOM 479 CB VAL A 33 -9.725 -4.940 -2.020 1.00 0.92 C ATOM 480 CG1 VAL A 33 -8.994 -5.125 -0.688 1.00 0.98 C ATOM 481 CG2 VAL A 33 -8.751 -5.200 -3.177 1.00 0.87 C ATOM 0 H VAL A 33 -10.067 -7.548 -3.199 1.00 0.89 H new ATOM 0 HA VAL A 33 -11.497 -5.853 -1.187 1.00 0.95 H new ATOM 0 HB VAL A 33 -10.101 -3.919 -2.087 1.00 0.92 H new ATOM 0 HG11 VAL A 33 -8.155 -4.432 -0.634 1.00 0.98 H new ATOM 0 HG12 VAL A 33 -9.681 -4.927 0.135 1.00 0.98 H new ATOM 0 HG13 VAL A 33 -8.625 -6.148 -0.615 1.00 0.98 H new ATOM 0 HG21 VAL A 33 -7.913 -4.506 -3.110 1.00 0.87 H new ATOM 0 HG22 VAL A 33 -8.380 -6.223 -3.117 1.00 0.87 H new ATOM 0 HG23 VAL A 33 -9.267 -5.056 -4.126 1.00 0.87 H new ATOM 491 N PRO A 34 -12.611 -4.525 -3.120 1.00 1.02 N ATOM 492 CA PRO A 34 -13.513 -4.029 -4.178 1.00 1.04 C ATOM 493 C PRO A 34 -12.725 -3.238 -5.231 1.00 0.99 C ATOM 494 O PRO A 34 -11.596 -2.834 -5.004 1.00 0.96 O ATOM 495 CB PRO A 34 -14.496 -3.128 -3.422 1.00 1.13 C ATOM 496 CG PRO A 34 -13.788 -2.716 -2.112 1.00 1.15 C ATOM 497 CD PRO A 34 -12.707 -3.780 -1.845 1.00 1.10 C ATOM 0 HA PRO A 34 -14.016 -4.828 -4.723 1.00 1.04 H new ATOM 0 HB2 PRO A 34 -14.755 -2.252 -4.016 1.00 1.13 H new ATOM 0 HB3 PRO A 34 -15.425 -3.657 -3.212 1.00 1.13 H new ATOM 0 HG2 PRO A 34 -13.342 -1.726 -2.207 1.00 1.15 H new ATOM 0 HG3 PRO A 34 -14.498 -2.668 -1.286 1.00 1.15 H new ATOM 0 HD2 PRO A 34 -11.754 -3.322 -1.578 1.00 1.10 H new ATOM 0 HD3 PRO A 34 -12.988 -4.435 -1.021 1.00 1.10 H new ATOM 505 N GLU A 35 -13.315 -3.018 -6.382 1.00 1.01 N ATOM 506 CA GLU A 35 -12.617 -2.260 -7.468 1.00 0.99 C ATOM 507 C GLU A 35 -12.278 -0.841 -6.988 1.00 1.02 C ATOM 508 O GLU A 35 -11.299 -0.256 -7.420 1.00 1.02 O ATOM 509 CB GLU A 35 -13.523 -2.183 -8.703 1.00 1.04 C ATOM 510 CG GLU A 35 -13.461 -3.510 -9.469 1.00 0.99 C ATOM 511 CD GLU A 35 -14.566 -4.452 -8.973 1.00 1.06 C ATOM 512 OE1 GLU A 35 -15.674 -4.352 -9.475 1.00 1.19 O ATOM 513 OE2 GLU A 35 -14.284 -5.259 -8.101 1.00 1.06 O ATOM 0 H GLU A 35 -14.256 -3.333 -6.617 1.00 1.01 H new ATOM 0 HA GLU A 35 -11.693 -2.777 -7.725 1.00 0.99 H new ATOM 0 HB2 GLU A 35 -14.549 -1.973 -8.401 1.00 1.04 H new ATOM 0 HB3 GLU A 35 -13.206 -1.364 -9.348 1.00 1.04 H new ATOM 0 HG2 GLU A 35 -13.578 -3.329 -10.537 1.00 0.99 H new ATOM 0 HG3 GLU A 35 -12.485 -3.975 -9.330 1.00 0.99 H new ATOM 520 N SER A 36 -13.071 -0.291 -6.093 1.00 1.09 N ATOM 521 CA SER A 36 -12.799 1.086 -5.572 1.00 1.14 C ATOM 522 C SER A 36 -11.428 1.121 -4.880 1.00 1.11 C ATOM 523 O SER A 36 -10.698 2.089 -4.994 1.00 1.16 O ATOM 524 CB SER A 36 -13.886 1.479 -4.566 1.00 1.22 C ATOM 525 OG SER A 36 -14.654 2.551 -5.096 1.00 1.66 O ATOM 0 H SER A 36 -13.898 -0.742 -5.701 1.00 1.09 H new ATOM 0 HA SER A 36 -12.801 1.789 -6.405 1.00 1.14 H new ATOM 0 HB2 SER A 36 -14.530 0.625 -4.357 1.00 1.22 H new ATOM 0 HB3 SER A 36 -13.432 1.775 -3.620 1.00 1.22 H new ATOM 0 HG SER A 36 -15.351 2.803 -4.455 1.00 1.66 H new ATOM 531 N THR A 37 -11.075 0.071 -4.168 1.00 1.06 N ATOM 532 CA THR A 37 -9.751 0.033 -3.469 1.00 1.03 C ATOM 533 C THR A 37 -8.622 0.076 -4.515 1.00 0.93 C ATOM 534 O THR A 37 -8.594 -0.735 -5.421 1.00 0.86 O ATOM 535 CB THR A 37 -9.643 -1.258 -2.642 1.00 1.01 C ATOM 536 OG1 THR A 37 -10.686 -1.291 -1.675 1.00 1.17 O ATOM 537 CG2 THR A 37 -8.286 -1.313 -1.934 1.00 1.08 C ATOM 0 H THR A 37 -11.651 -0.762 -4.043 1.00 1.06 H new ATOM 0 HA THR A 37 -9.663 0.893 -2.805 1.00 1.03 H new ATOM 0 HB THR A 37 -9.734 -2.117 -3.307 1.00 1.01 H new ATOM 0 HG1 THR A 37 -10.386 -1.790 -0.887 1.00 1.17 H new ATOM 0 HG21 THR A 37 -8.217 -2.231 -1.350 1.00 1.08 H new ATOM 0 HG22 THR A 37 -7.488 -1.294 -2.676 1.00 1.08 H new ATOM 0 HG23 THR A 37 -8.186 -0.453 -1.272 1.00 1.08 H new ATOM 545 N PRO A 38 -7.730 1.031 -4.360 1.00 0.97 N ATOM 546 CA PRO A 38 -6.589 1.216 -5.281 1.00 0.91 C ATOM 547 C PRO A 38 -5.473 0.199 -4.996 1.00 0.83 C ATOM 548 O PRO A 38 -5.384 -0.361 -3.914 1.00 0.81 O ATOM 549 CB PRO A 38 -6.113 2.641 -4.980 1.00 1.02 C ATOM 550 CG PRO A 38 -6.610 2.976 -3.555 1.00 1.11 C ATOM 551 CD PRO A 38 -7.775 2.015 -3.255 1.00 1.08 C ATOM 0 HA PRO A 38 -6.864 1.067 -6.325 1.00 0.91 H new ATOM 0 HB2 PRO A 38 -5.027 2.708 -5.038 1.00 1.02 H new ATOM 0 HB3 PRO A 38 -6.515 3.346 -5.707 1.00 1.02 H new ATOM 0 HG2 PRO A 38 -5.809 2.852 -2.827 1.00 1.11 H new ATOM 0 HG3 PRO A 38 -6.939 4.013 -3.494 1.00 1.11 H new ATOM 0 HD2 PRO A 38 -7.652 1.531 -2.286 1.00 1.08 H new ATOM 0 HD3 PRO A 38 -8.729 2.542 -3.230 1.00 1.08 H new ATOM 559 N PHE A 39 -4.613 -0.030 -5.964 1.00 0.80 N ATOM 560 CA PHE A 39 -3.487 -0.997 -5.768 1.00 0.73 C ATOM 561 C PHE A 39 -2.536 -0.478 -4.680 1.00 0.72 C ATOM 562 O PHE A 39 -1.783 -1.238 -4.104 1.00 0.68 O ATOM 563 CB PHE A 39 -2.719 -1.178 -7.083 1.00 0.72 C ATOM 564 CG PHE A 39 -2.042 -2.531 -7.093 1.00 0.61 C ATOM 565 CD1 PHE A 39 -2.792 -3.694 -6.867 1.00 0.61 C ATOM 566 CD2 PHE A 39 -0.664 -2.624 -7.325 1.00 0.63 C ATOM 567 CE1 PHE A 39 -2.167 -4.945 -6.876 1.00 0.57 C ATOM 568 CE2 PHE A 39 -0.039 -3.876 -7.334 1.00 0.60 C ATOM 569 CZ PHE A 39 -0.790 -5.035 -7.110 1.00 0.54 C ATOM 0 H PHE A 39 -4.645 0.413 -6.882 1.00 0.80 H new ATOM 0 HA PHE A 39 -3.896 -1.959 -5.457 1.00 0.73 H new ATOM 0 HB2 PHE A 39 -3.402 -1.095 -7.929 1.00 0.72 H new ATOM 0 HB3 PHE A 39 -1.977 -0.388 -7.194 1.00 0.72 H new ATOM 0 HD1 PHE A 39 -3.854 -3.624 -6.686 1.00 0.61 H new ATOM 0 HD2 PHE A 39 -0.084 -1.730 -7.497 1.00 0.63 H new ATOM 0 HE1 PHE A 39 -2.746 -5.840 -6.703 1.00 0.57 H new ATOM 0 HE2 PHE A 39 1.023 -3.948 -7.514 1.00 0.60 H new ATOM 0 HZ PHE A 39 -0.306 -6.001 -7.118 1.00 0.54 H new ATOM 579 N THR A 40 -2.575 0.806 -4.382 1.00 0.77 N ATOM 580 CA THR A 40 -1.688 1.365 -3.312 1.00 0.78 C ATOM 581 C THR A 40 -2.016 0.669 -1.985 1.00 0.75 C ATOM 582 O THR A 40 -1.132 0.257 -1.257 1.00 0.74 O ATOM 583 CB THR A 40 -1.924 2.877 -3.169 1.00 0.85 C ATOM 584 OG1 THR A 40 -3.319 3.141 -3.082 1.00 0.92 O ATOM 585 CG2 THR A 40 -1.341 3.606 -4.381 1.00 0.94 C ATOM 0 H THR A 40 -3.184 1.487 -4.836 1.00 0.77 H new ATOM 0 HA THR A 40 -0.645 1.194 -3.577 1.00 0.78 H new ATOM 0 HB THR A 40 -1.433 3.231 -2.262 1.00 0.85 H new ATOM 0 HG1 THR A 40 -3.464 4.106 -2.989 1.00 0.92 H new ATOM 0 HG21 THR A 40 -1.510 4.678 -4.277 1.00 0.94 H new ATOM 0 HG22 THR A 40 -0.270 3.412 -4.442 1.00 0.94 H new ATOM 0 HG23 THR A 40 -1.827 3.249 -5.289 1.00 0.94 H new ATOM 593 N ALA A 41 -3.288 0.526 -1.682 1.00 0.76 N ATOM 594 CA ALA A 41 -3.702 -0.153 -0.417 1.00 0.76 C ATOM 595 C ALA A 41 -3.485 -1.667 -0.555 1.00 0.71 C ATOM 596 O ALA A 41 -3.088 -2.327 0.388 1.00 0.70 O ATOM 597 CB ALA A 41 -5.181 0.129 -0.143 1.00 0.83 C ATOM 0 H ALA A 41 -4.059 0.854 -2.264 1.00 0.76 H new ATOM 0 HA ALA A 41 -3.103 0.226 0.411 1.00 0.76 H new ATOM 0 HB1 ALA A 41 -5.481 -0.367 0.780 1.00 0.83 H new ATOM 0 HB2 ALA A 41 -5.334 1.204 -0.044 1.00 0.83 H new ATOM 0 HB3 ALA A 41 -5.783 -0.248 -0.970 1.00 0.83 H new ATOM 603 N VAL A 42 -3.740 -2.217 -1.725 1.00 0.71 N ATOM 604 CA VAL A 42 -3.544 -3.688 -1.933 1.00 0.67 C ATOM 605 C VAL A 42 -2.062 -4.037 -1.728 1.00 0.61 C ATOM 606 O VAL A 42 -1.728 -4.944 -0.987 1.00 0.62 O ATOM 607 CB VAL A 42 -3.977 -4.074 -3.356 1.00 0.70 C ATOM 608 CG1 VAL A 42 -3.749 -5.571 -3.580 1.00 0.69 C ATOM 609 CG2 VAL A 42 -5.464 -3.759 -3.543 1.00 0.80 C ATOM 0 H VAL A 42 -4.075 -1.708 -2.543 1.00 0.71 H new ATOM 0 HA VAL A 42 -4.150 -4.241 -1.215 1.00 0.67 H new ATOM 0 HB VAL A 42 -3.387 -3.505 -4.074 1.00 0.70 H new ATOM 0 HG11 VAL A 42 -4.058 -5.839 -4.590 1.00 0.69 H new ATOM 0 HG12 VAL A 42 -2.691 -5.801 -3.451 1.00 0.69 H new ATOM 0 HG13 VAL A 42 -4.335 -6.140 -2.859 1.00 0.69 H new ATOM 0 HG21 VAL A 42 -5.770 -4.033 -4.553 1.00 0.80 H new ATOM 0 HG22 VAL A 42 -6.050 -4.326 -2.820 1.00 0.80 H new ATOM 0 HG23 VAL A 42 -5.632 -2.693 -3.390 1.00 0.80 H new ATOM 619 N LEU A 43 -1.175 -3.312 -2.375 1.00 0.60 N ATOM 620 CA LEU A 43 0.292 -3.575 -2.229 1.00 0.57 C ATOM 621 C LEU A 43 0.720 -3.331 -0.773 1.00 0.57 C ATOM 622 O LEU A 43 1.565 -4.032 -0.248 1.00 0.58 O ATOM 623 CB LEU A 43 1.071 -2.636 -3.159 1.00 0.60 C ATOM 624 CG LEU A 43 2.463 -3.215 -3.437 1.00 0.56 C ATOM 625 CD1 LEU A 43 2.794 -3.058 -4.924 1.00 0.57 C ATOM 626 CD2 LEU A 43 3.507 -2.465 -2.604 1.00 0.73 C ATOM 0 H LEU A 43 -1.410 -2.543 -3.003 1.00 0.60 H new ATOM 0 HA LEU A 43 0.504 -4.611 -2.495 1.00 0.57 H new ATOM 0 HB2 LEU A 43 0.528 -2.505 -4.095 1.00 0.60 H new ATOM 0 HB3 LEU A 43 1.162 -1.650 -2.702 1.00 0.60 H new ATOM 0 HG LEU A 43 2.474 -4.272 -3.169 1.00 0.56 H new ATOM 0 HD11 LEU A 43 3.784 -3.470 -5.122 1.00 0.57 H new ATOM 0 HD12 LEU A 43 2.053 -3.591 -5.520 1.00 0.57 H new ATOM 0 HD13 LEU A 43 2.781 -2.001 -5.190 1.00 0.57 H new ATOM 0 HD21 LEU A 43 4.496 -2.878 -2.803 1.00 0.73 H new ATOM 0 HD22 LEU A 43 3.495 -1.408 -2.871 1.00 0.73 H new ATOM 0 HD23 LEU A 43 3.274 -2.574 -1.545 1.00 0.73 H new ATOM 638 N LYS A 44 0.140 -2.345 -0.122 1.00 0.60 N ATOM 639 CA LYS A 44 0.504 -2.051 1.301 1.00 0.62 C ATOM 640 C LYS A 44 0.093 -3.231 2.194 1.00 0.62 C ATOM 641 O LYS A 44 0.887 -3.733 2.965 1.00 0.63 O ATOM 642 CB LYS A 44 -0.223 -0.782 1.768 1.00 0.68 C ATOM 643 CG LYS A 44 0.621 0.455 1.437 1.00 0.76 C ATOM 644 CD LYS A 44 0.585 1.428 2.619 1.00 1.13 C ATOM 645 CE LYS A 44 1.684 2.481 2.446 1.00 1.79 C ATOM 646 NZ LYS A 44 2.178 2.919 3.784 1.00 2.47 N ATOM 0 H LYS A 44 -0.571 -1.731 -0.519 1.00 0.60 H new ATOM 0 HA LYS A 44 1.581 -1.900 1.371 1.00 0.62 H new ATOM 0 HB2 LYS A 44 -1.196 -0.710 1.282 1.00 0.68 H new ATOM 0 HB3 LYS A 44 -0.406 -0.831 2.841 1.00 0.68 H new ATOM 0 HG2 LYS A 44 1.649 0.161 1.225 1.00 0.76 H new ATOM 0 HG3 LYS A 44 0.237 0.941 0.540 1.00 0.76 H new ATOM 0 HD2 LYS A 44 -0.390 1.911 2.677 1.00 1.13 H new ATOM 0 HD3 LYS A 44 0.729 0.887 3.554 1.00 1.13 H new ATOM 0 HE2 LYS A 44 2.507 2.069 1.861 1.00 1.79 H new ATOM 0 HE3 LYS A 44 1.297 3.337 1.893 1.00 1.79 H new ATOM 0 HZ1 LYS A 44 2.924 3.634 3.662 1.00 2.47 H new ATOM 0 HZ2 LYS A 44 1.392 3.329 4.327 1.00 2.47 H new ATOM 0 HZ3 LYS A 44 2.564 2.100 4.297 1.00 2.47 H new ATOM 660 N PHE A 45 -1.143 -3.673 2.093 1.00 0.64 N ATOM 661 CA PHE A 45 -1.620 -4.820 2.934 1.00 0.66 C ATOM 662 C PHE A 45 -0.788 -6.078 2.638 1.00 0.61 C ATOM 663 O PHE A 45 -0.411 -6.801 3.544 1.00 0.64 O ATOM 664 CB PHE A 45 -3.097 -5.102 2.626 1.00 0.73 C ATOM 665 CG PHE A 45 -3.886 -5.165 3.913 1.00 0.83 C ATOM 666 CD1 PHE A 45 -4.076 -4.007 4.678 1.00 1.28 C ATOM 667 CD2 PHE A 45 -4.431 -6.383 4.342 1.00 1.06 C ATOM 668 CE1 PHE A 45 -4.809 -4.067 5.868 1.00 1.64 C ATOM 669 CE2 PHE A 45 -5.165 -6.441 5.532 1.00 1.39 C ATOM 670 CZ PHE A 45 -5.353 -5.282 6.294 1.00 1.58 C ATOM 0 H PHE A 45 -1.843 -3.286 1.461 1.00 0.64 H new ATOM 0 HA PHE A 45 -1.506 -4.558 3.986 1.00 0.66 H new ATOM 0 HB2 PHE A 45 -3.499 -4.321 1.980 1.00 0.73 H new ATOM 0 HB3 PHE A 45 -3.192 -6.043 2.084 1.00 0.73 H new ATOM 0 HD1 PHE A 45 -3.657 -3.068 4.349 1.00 1.28 H new ATOM 0 HD2 PHE A 45 -4.284 -7.277 3.754 1.00 1.06 H new ATOM 0 HE1 PHE A 45 -4.955 -3.174 6.458 1.00 1.64 H new ATOM 0 HE2 PHE A 45 -5.586 -7.379 5.862 1.00 1.39 H new ATOM 0 HZ PHE A 45 -5.919 -5.327 7.213 1.00 1.58 H new ATOM 680 N ALA A 46 -0.503 -6.344 1.383 1.00 0.60 N ATOM 681 CA ALA A 46 0.302 -7.556 1.024 1.00 0.59 C ATOM 682 C ALA A 46 1.726 -7.419 1.578 1.00 0.54 C ATOM 683 O ALA A 46 2.251 -8.337 2.182 1.00 0.58 O ATOM 684 CB ALA A 46 0.357 -7.701 -0.500 1.00 0.62 C ATOM 0 H ALA A 46 -0.795 -5.772 0.591 1.00 0.60 H new ATOM 0 HA ALA A 46 -0.167 -8.439 1.457 1.00 0.59 H new ATOM 0 HB1 ALA A 46 0.943 -8.583 -0.761 1.00 0.62 H new ATOM 0 HB2 ALA A 46 -0.654 -7.808 -0.892 1.00 0.62 H new ATOM 0 HB3 ALA A 46 0.822 -6.815 -0.933 1.00 0.62 H new ATOM 690 N ALA A 47 2.349 -6.280 1.374 1.00 0.50 N ATOM 691 CA ALA A 47 3.743 -6.067 1.881 1.00 0.47 C ATOM 692 C ALA A 47 3.757 -6.095 3.417 1.00 0.47 C ATOM 693 O ALA A 47 4.675 -6.621 4.021 1.00 0.48 O ATOM 694 CB ALA A 47 4.261 -4.712 1.394 1.00 0.50 C ATOM 0 H ALA A 47 1.949 -5.485 0.875 1.00 0.50 H new ATOM 0 HA ALA A 47 4.383 -6.864 1.504 1.00 0.47 H new ATOM 0 HB1 ALA A 47 5.275 -4.556 1.762 1.00 0.50 H new ATOM 0 HB2 ALA A 47 4.264 -4.694 0.304 1.00 0.50 H new ATOM 0 HB3 ALA A 47 3.613 -3.919 1.768 1.00 0.50 H new ATOM 700 N GLU A 48 2.748 -5.534 4.050 1.00 0.52 N ATOM 701 CA GLU A 48 2.693 -5.525 5.546 1.00 0.54 C ATOM 702 C GLU A 48 2.683 -6.965 6.073 1.00 0.52 C ATOM 703 O GLU A 48 3.415 -7.299 6.988 1.00 0.56 O ATOM 704 CB GLU A 48 1.422 -4.800 6.010 1.00 0.63 C ATOM 705 CG GLU A 48 1.790 -3.418 6.564 1.00 0.75 C ATOM 706 CD GLU A 48 1.730 -2.376 5.440 1.00 1.03 C ATOM 707 OE1 GLU A 48 2.735 -2.191 4.773 1.00 1.31 O ATOM 708 OE2 GLU A 48 0.678 -1.779 5.266 1.00 1.30 O ATOM 0 H GLU A 48 1.959 -5.081 3.589 1.00 0.52 H new ATOM 0 HA GLU A 48 3.569 -5.006 5.934 1.00 0.54 H new ATOM 0 HB2 GLU A 48 0.726 -4.696 5.177 1.00 0.63 H new ATOM 0 HB3 GLU A 48 0.916 -5.387 6.776 1.00 0.63 H new ATOM 0 HG2 GLU A 48 1.104 -3.143 7.365 1.00 0.75 H new ATOM 0 HG3 GLU A 48 2.790 -3.444 6.996 1.00 0.75 H new ATOM 715 N GLU A 49 1.864 -7.817 5.498 1.00 0.53 N ATOM 716 CA GLU A 49 1.804 -9.241 5.956 1.00 0.57 C ATOM 717 C GLU A 49 3.061 -9.995 5.495 1.00 0.50 C ATOM 718 O GLU A 49 3.482 -10.950 6.126 1.00 0.55 O ATOM 719 CB GLU A 49 0.558 -9.916 5.369 1.00 0.67 C ATOM 720 CG GLU A 49 -0.621 -9.746 6.333 1.00 0.72 C ATOM 721 CD GLU A 49 -1.353 -8.434 6.030 1.00 0.81 C ATOM 722 OE1 GLU A 49 -2.257 -8.457 5.212 1.00 0.98 O ATOM 723 OE2 GLU A 49 -0.998 -7.427 6.624 1.00 0.94 O ATOM 0 H GLU A 49 1.234 -7.585 4.730 1.00 0.53 H new ATOM 0 HA GLU A 49 1.754 -9.264 7.045 1.00 0.57 H new ATOM 0 HB2 GLU A 49 0.316 -9.477 4.401 1.00 0.67 H new ATOM 0 HB3 GLU A 49 0.752 -10.975 5.199 1.00 0.67 H new ATOM 0 HG2 GLU A 49 -1.307 -10.587 6.235 1.00 0.72 H new ATOM 0 HG3 GLU A 49 -0.264 -9.745 7.363 1.00 0.72 H new ATOM 730 N PHE A 50 3.666 -9.572 4.405 1.00 0.45 N ATOM 731 CA PHE A 50 4.899 -10.257 3.899 1.00 0.41 C ATOM 732 C PHE A 50 6.138 -9.808 4.697 1.00 0.42 C ATOM 733 O PHE A 50 7.227 -10.315 4.485 1.00 0.47 O ATOM 734 CB PHE A 50 5.102 -9.912 2.418 1.00 0.38 C ATOM 735 CG PHE A 50 4.322 -10.874 1.547 1.00 0.37 C ATOM 736 CD1 PHE A 50 4.300 -12.243 1.846 1.00 0.46 C ATOM 737 CD2 PHE A 50 3.622 -10.393 0.433 1.00 0.52 C ATOM 738 CE1 PHE A 50 3.578 -13.127 1.034 1.00 0.54 C ATOM 739 CE2 PHE A 50 2.902 -11.276 -0.378 1.00 0.56 C ATOM 740 CZ PHE A 50 2.880 -12.643 -0.077 1.00 0.52 C ATOM 0 H PHE A 50 3.356 -8.779 3.844 1.00 0.45 H new ATOM 0 HA PHE A 50 4.773 -11.333 4.020 1.00 0.41 H new ATOM 0 HB2 PHE A 50 4.775 -8.890 2.227 1.00 0.38 H new ATOM 0 HB3 PHE A 50 6.162 -9.960 2.167 1.00 0.38 H new ATOM 0 HD1 PHE A 50 4.840 -12.617 2.703 1.00 0.46 H new ATOM 0 HD2 PHE A 50 3.638 -9.339 0.200 1.00 0.52 H new ATOM 0 HE1 PHE A 50 3.560 -14.182 1.266 1.00 0.54 H new ATOM 0 HE2 PHE A 50 2.363 -10.903 -1.236 1.00 0.56 H new ATOM 0 HZ PHE A 50 2.323 -13.324 -0.703 1.00 0.52 H new ATOM 750 N LYS A 51 5.984 -8.865 5.607 1.00 0.44 N ATOM 751 CA LYS A 51 7.146 -8.374 6.424 1.00 0.49 C ATOM 752 C LYS A 51 8.110 -7.560 5.533 1.00 0.46 C ATOM 753 O LYS A 51 9.317 -7.623 5.684 1.00 0.52 O ATOM 754 CB LYS A 51 7.882 -9.571 7.052 1.00 0.56 C ATOM 755 CG LYS A 51 8.016 -9.371 8.566 1.00 0.81 C ATOM 756 CD LYS A 51 7.332 -10.528 9.301 1.00 1.22 C ATOM 757 CE LYS A 51 6.781 -10.038 10.645 1.00 1.72 C ATOM 758 NZ LYS A 51 6.223 -11.193 11.411 1.00 2.66 N ATOM 0 H LYS A 51 5.095 -8.413 5.818 1.00 0.44 H new ATOM 0 HA LYS A 51 6.778 -7.728 7.221 1.00 0.49 H new ATOM 0 HB2 LYS A 51 7.337 -10.492 6.846 1.00 0.56 H new ATOM 0 HB3 LYS A 51 8.869 -9.677 6.603 1.00 0.56 H new ATOM 0 HG2 LYS A 51 9.069 -9.322 8.845 1.00 0.81 H new ATOM 0 HG3 LYS A 51 7.564 -8.423 8.859 1.00 0.81 H new ATOM 0 HD2 LYS A 51 6.523 -10.930 8.691 1.00 1.22 H new ATOM 0 HD3 LYS A 51 8.043 -11.338 9.463 1.00 1.22 H new ATOM 0 HE2 LYS A 51 7.572 -9.556 11.220 1.00 1.72 H new ATOM 0 HE3 LYS A 51 6.006 -9.290 10.480 1.00 1.72 H new ATOM 0 HZ1 LYS A 51 5.850 -10.858 12.322 1.00 2.66 H new ATOM 0 HZ2 LYS A 51 5.456 -11.634 10.864 1.00 2.66 H new ATOM 0 HZ3 LYS A 51 6.974 -11.892 11.581 1.00 2.66 H new ATOM 772 N VAL A 52 7.574 -6.788 4.613 1.00 0.44 N ATOM 773 CA VAL A 52 8.434 -5.952 3.709 1.00 0.45 C ATOM 774 C VAL A 52 7.815 -4.550 3.571 1.00 0.50 C ATOM 775 O VAL A 52 6.625 -4.384 3.767 1.00 0.52 O ATOM 776 CB VAL A 52 8.532 -6.605 2.320 1.00 0.42 C ATOM 777 CG1 VAL A 52 9.390 -7.870 2.401 1.00 0.54 C ATOM 778 CG2 VAL A 52 7.135 -6.973 1.809 1.00 0.43 C ATOM 0 H VAL A 52 6.571 -6.701 4.449 1.00 0.44 H new ATOM 0 HA VAL A 52 9.433 -5.875 4.138 1.00 0.45 H new ATOM 0 HB VAL A 52 8.991 -5.895 1.632 1.00 0.42 H new ATOM 0 HG11 VAL A 52 9.456 -8.329 1.414 1.00 0.54 H new ATOM 0 HG12 VAL A 52 10.390 -7.610 2.748 1.00 0.54 H new ATOM 0 HG13 VAL A 52 8.936 -8.574 3.098 1.00 0.54 H new ATOM 0 HG21 VAL A 52 7.217 -7.434 0.825 1.00 0.43 H new ATOM 0 HG22 VAL A 52 6.668 -7.674 2.501 1.00 0.43 H new ATOM 0 HG23 VAL A 52 6.525 -6.073 1.738 1.00 0.43 H new ATOM 788 N PRO A 53 8.641 -3.579 3.233 1.00 0.56 N ATOM 789 CA PRO A 53 8.196 -2.180 3.058 1.00 0.64 C ATOM 790 C PRO A 53 7.447 -2.009 1.734 1.00 0.61 C ATOM 791 O PRO A 53 7.963 -2.303 0.674 1.00 0.61 O ATOM 792 CB PRO A 53 9.500 -1.381 3.066 1.00 0.75 C ATOM 793 CG PRO A 53 10.624 -2.372 2.684 1.00 0.72 C ATOM 794 CD PRO A 53 10.086 -3.785 2.984 1.00 0.61 C ATOM 0 HA PRO A 53 7.502 -1.854 3.833 1.00 0.64 H new ATOM 0 HB2 PRO A 53 9.453 -0.555 2.356 1.00 0.75 H new ATOM 0 HB3 PRO A 53 9.683 -0.947 4.049 1.00 0.75 H new ATOM 0 HG2 PRO A 53 10.886 -2.273 1.631 1.00 0.72 H new ATOM 0 HG3 PRO A 53 11.529 -2.172 3.258 1.00 0.72 H new ATOM 0 HD2 PRO A 53 10.253 -4.461 2.145 1.00 0.61 H new ATOM 0 HD3 PRO A 53 10.581 -4.224 3.851 1.00 0.61 H new ATOM 802 N ALA A 54 6.228 -1.531 1.803 1.00 0.66 N ATOM 803 CA ALA A 54 5.409 -1.329 0.564 1.00 0.67 C ATOM 804 C ALA A 54 5.998 -0.195 -0.288 1.00 0.72 C ATOM 805 O ALA A 54 5.928 -0.231 -1.503 1.00 0.77 O ATOM 806 CB ALA A 54 3.972 -0.972 0.958 1.00 0.80 C ATOM 0 H ALA A 54 5.761 -1.270 2.671 1.00 0.66 H new ATOM 0 HA ALA A 54 5.418 -2.250 -0.019 1.00 0.67 H new ATOM 0 HB1 ALA A 54 3.374 -0.825 0.059 1.00 0.80 H new ATOM 0 HB2 ALA A 54 3.545 -1.782 1.549 1.00 0.80 H new ATOM 0 HB3 ALA A 54 3.973 -0.055 1.547 1.00 0.80 H new ATOM 812 N ALA A 55 6.573 0.807 0.341 1.00 0.80 N ATOM 813 CA ALA A 55 7.168 1.949 -0.423 1.00 0.88 C ATOM 814 C ALA A 55 8.349 1.459 -1.275 1.00 0.81 C ATOM 815 O ALA A 55 8.567 1.941 -2.372 1.00 0.90 O ATOM 816 CB ALA A 55 7.657 3.020 0.557 1.00 1.01 C ATOM 0 H ALA A 55 6.655 0.881 1.355 1.00 0.80 H new ATOM 0 HA ALA A 55 6.407 2.371 -1.079 1.00 0.88 H new ATOM 0 HB1 ALA A 55 8.090 3.851 0.001 1.00 1.01 H new ATOM 0 HB2 ALA A 55 6.817 3.380 1.152 1.00 1.01 H new ATOM 0 HB3 ALA A 55 8.412 2.592 1.217 1.00 1.01 H new ATOM 822 N THR A 56 9.113 0.512 -0.776 1.00 0.74 N ATOM 823 CA THR A 56 10.286 -0.009 -1.551 1.00 0.74 C ATOM 824 C THR A 56 9.957 -1.381 -2.178 1.00 0.68 C ATOM 825 O THR A 56 10.812 -2.008 -2.777 1.00 1.02 O ATOM 826 CB THR A 56 11.495 -0.149 -0.610 1.00 0.83 C ATOM 827 OG1 THR A 56 11.604 1.012 0.204 1.00 0.92 O ATOM 828 CG2 THR A 56 12.777 -0.314 -1.431 1.00 0.96 C ATOM 0 H THR A 56 8.973 0.078 0.136 1.00 0.74 H new ATOM 0 HA THR A 56 10.518 0.692 -2.352 1.00 0.74 H new ATOM 0 HB THR A 56 11.355 -1.026 0.021 1.00 0.83 H new ATOM 0 HG1 THR A 56 12.374 0.920 0.804 1.00 0.92 H new ATOM 0 HG21 THR A 56 13.629 -0.413 -0.759 1.00 0.96 H new ATOM 0 HG22 THR A 56 12.699 -1.207 -2.052 1.00 0.96 H new ATOM 0 HG23 THR A 56 12.916 0.560 -2.068 1.00 0.96 H new ATOM 836 N SER A 57 8.733 -1.851 -2.048 1.00 0.59 N ATOM 837 CA SER A 57 8.367 -3.178 -2.637 1.00 0.53 C ATOM 838 C SER A 57 7.577 -2.987 -3.937 1.00 0.52 C ATOM 839 O SER A 57 6.949 -1.966 -4.158 1.00 0.73 O ATOM 840 CB SER A 57 7.510 -3.964 -1.642 1.00 0.65 C ATOM 841 OG SER A 57 8.356 -4.732 -0.795 1.00 0.75 O ATOM 0 H SER A 57 7.976 -1.371 -1.560 1.00 0.59 H new ATOM 0 HA SER A 57 9.284 -3.727 -2.853 1.00 0.53 H new ATOM 0 HB2 SER A 57 6.905 -3.280 -1.047 1.00 0.65 H new ATOM 0 HB3 SER A 57 6.821 -4.618 -2.176 1.00 0.65 H new ATOM 0 HG SER A 57 8.567 -4.216 0.011 1.00 0.75 H new ATOM 847 N ALA A 58 7.606 -3.981 -4.791 1.00 0.47 N ATOM 848 CA ALA A 58 6.866 -3.911 -6.087 1.00 0.50 C ATOM 849 C ALA A 58 6.170 -5.256 -6.336 1.00 0.44 C ATOM 850 O ALA A 58 6.655 -6.295 -5.924 1.00 0.49 O ATOM 851 CB ALA A 58 7.852 -3.628 -7.223 1.00 0.62 C ATOM 0 H ALA A 58 8.119 -4.850 -4.641 1.00 0.47 H new ATOM 0 HA ALA A 58 6.125 -3.113 -6.047 1.00 0.50 H new ATOM 0 HB1 ALA A 58 7.313 -3.577 -8.169 1.00 0.62 H new ATOM 0 HB2 ALA A 58 8.355 -2.678 -7.040 1.00 0.62 H new ATOM 0 HB3 ALA A 58 8.592 -4.427 -7.270 1.00 0.62 H new ATOM 857 N ILE A 59 5.041 -5.249 -7.007 1.00 0.40 N ATOM 858 CA ILE A 59 4.325 -6.534 -7.275 1.00 0.36 C ATOM 859 C ILE A 59 4.398 -6.853 -8.771 1.00 0.36 C ATOM 860 O ILE A 59 3.854 -6.143 -9.591 1.00 0.40 O ATOM 861 CB ILE A 59 2.860 -6.413 -6.819 1.00 0.37 C ATOM 862 CG1 ILE A 59 2.795 -6.588 -5.298 1.00 0.41 C ATOM 863 CG2 ILE A 59 2.003 -7.495 -7.491 1.00 0.40 C ATOM 864 CD1 ILE A 59 1.397 -6.225 -4.790 1.00 0.44 C ATOM 0 H ILE A 59 4.588 -4.413 -7.378 1.00 0.40 H new ATOM 0 HA ILE A 59 4.797 -7.344 -6.719 1.00 0.36 H new ATOM 0 HB ILE A 59 2.476 -5.433 -7.101 1.00 0.37 H new ATOM 0 HG12 ILE A 59 3.032 -7.618 -5.031 1.00 0.41 H new ATOM 0 HG13 ILE A 59 3.541 -5.955 -4.818 1.00 0.41 H new ATOM 0 HG21 ILE A 59 0.969 -7.398 -7.160 1.00 0.40 H new ATOM 0 HG22 ILE A 59 2.050 -7.376 -8.573 1.00 0.40 H new ATOM 0 HG23 ILE A 59 2.381 -8.480 -7.218 1.00 0.40 H new ATOM 0 HD11 ILE A 59 1.359 -6.352 -3.708 1.00 0.44 H new ATOM 0 HD12 ILE A 59 1.176 -5.188 -5.042 1.00 0.44 H new ATOM 0 HD13 ILE A 59 0.659 -6.877 -5.258 1.00 0.44 H new ATOM 876 N ILE A 60 5.065 -7.925 -9.124 1.00 0.36 N ATOM 877 CA ILE A 60 5.177 -8.310 -10.563 1.00 0.37 C ATOM 878 C ILE A 60 4.142 -9.400 -10.889 1.00 0.36 C ATOM 879 O ILE A 60 3.534 -9.974 -10.005 1.00 0.40 O ATOM 880 CB ILE A 60 6.592 -8.833 -10.854 1.00 0.45 C ATOM 881 CG1 ILE A 60 6.877 -10.081 -10.007 1.00 0.51 C ATOM 882 CG2 ILE A 60 7.617 -7.745 -10.520 1.00 0.52 C ATOM 883 CD1 ILE A 60 7.325 -11.228 -10.916 1.00 0.59 C ATOM 0 H ILE A 60 5.538 -8.552 -8.473 1.00 0.36 H new ATOM 0 HA ILE A 60 4.986 -7.435 -11.184 1.00 0.37 H new ATOM 0 HB ILE A 60 6.665 -9.095 -11.910 1.00 0.45 H new ATOM 0 HG12 ILE A 60 7.651 -9.864 -9.271 1.00 0.51 H new ATOM 0 HG13 ILE A 60 5.983 -10.370 -9.454 1.00 0.51 H new ATOM 0 HG21 ILE A 60 8.621 -8.115 -10.726 1.00 0.52 H new ATOM 0 HG22 ILE A 60 7.423 -6.863 -11.130 1.00 0.52 H new ATOM 0 HG23 ILE A 60 7.537 -7.481 -9.465 1.00 0.52 H new ATOM 0 HD11 ILE A 60 7.527 -12.113 -10.313 1.00 0.59 H new ATOM 0 HD12 ILE A 60 6.537 -11.451 -11.635 1.00 0.59 H new ATOM 0 HD13 ILE A 60 8.231 -10.938 -11.448 1.00 0.59 H new ATOM 895 N THR A 61 3.939 -9.683 -12.154 1.00 0.39 N ATOM 896 CA THR A 61 2.944 -10.732 -12.547 1.00 0.43 C ATOM 897 C THR A 61 3.657 -12.069 -12.787 1.00 0.50 C ATOM 898 O THR A 61 4.874 -12.138 -12.843 1.00 0.58 O ATOM 899 CB THR A 61 2.216 -10.305 -13.831 1.00 0.47 C ATOM 900 OG1 THR A 61 3.162 -10.097 -14.873 1.00 0.55 O ATOM 901 CG2 THR A 61 1.439 -9.012 -13.578 1.00 0.51 C ATOM 0 H THR A 61 4.420 -9.232 -12.932 1.00 0.39 H new ATOM 0 HA THR A 61 2.220 -10.850 -11.741 1.00 0.43 H new ATOM 0 HB THR A 61 1.521 -11.091 -14.127 1.00 0.47 H new ATOM 0 HG1 THR A 61 2.694 -9.827 -15.690 1.00 0.55 H new ATOM 0 HG21 THR A 61 0.924 -8.712 -14.491 1.00 0.51 H new ATOM 0 HG22 THR A 61 0.708 -9.176 -12.786 1.00 0.51 H new ATOM 0 HG23 THR A 61 2.130 -8.225 -13.276 1.00 0.51 H new ATOM 909 N ASN A 62 2.900 -13.131 -12.939 1.00 0.57 N ATOM 910 CA ASN A 62 3.509 -14.475 -13.188 1.00 0.66 C ATOM 911 C ASN A 62 4.177 -14.499 -14.574 1.00 0.68 C ATOM 912 O ASN A 62 5.074 -15.286 -14.818 1.00 0.78 O ATOM 913 CB ASN A 62 2.416 -15.549 -13.129 1.00 0.74 C ATOM 914 CG ASN A 62 2.578 -16.379 -11.852 1.00 1.00 C ATOM 915 OD1 ASN A 62 2.987 -17.522 -11.906 1.00 1.34 O ATOM 916 ND2 ASN A 62 2.273 -15.851 -10.697 1.00 1.19 N ATOM 0 H ASN A 62 1.881 -13.123 -12.901 1.00 0.57 H new ATOM 0 HA ASN A 62 4.261 -14.675 -12.425 1.00 0.66 H new ATOM 0 HB2 ASN A 62 1.432 -15.081 -13.148 1.00 0.74 H new ATOM 0 HB3 ASN A 62 2.479 -16.195 -14.005 1.00 0.74 H new ATOM 0 HD21 ASN A 62 2.378 -16.398 -9.842 1.00 1.19 H new ATOM 0 HD22 ASN A 62 1.930 -14.892 -10.650 1.00 1.19 H new ATOM 923 N ASP A 63 3.746 -13.643 -15.478 1.00 0.68 N ATOM 924 CA ASP A 63 4.350 -13.611 -16.847 1.00 0.77 C ATOM 925 C ASP A 63 5.659 -12.812 -16.819 1.00 0.76 C ATOM 926 O ASP A 63 6.668 -13.257 -17.333 1.00 0.96 O ATOM 927 CB ASP A 63 3.372 -12.951 -17.825 1.00 0.83 C ATOM 928 CG ASP A 63 2.119 -13.821 -17.971 1.00 1.01 C ATOM 929 OD1 ASP A 63 2.133 -14.713 -18.805 1.00 1.22 O ATOM 930 OD2 ASP A 63 1.166 -13.583 -17.245 1.00 1.14 O ATOM 0 H ASP A 63 3.000 -12.965 -15.322 1.00 0.68 H new ATOM 0 HA ASP A 63 4.557 -14.631 -17.170 1.00 0.77 H new ATOM 0 HB2 ASP A 63 3.098 -11.959 -17.466 1.00 0.83 H new ATOM 0 HB3 ASP A 63 3.849 -12.818 -18.796 1.00 0.83 H new ATOM 935 N GLY A 64 5.647 -11.639 -16.224 1.00 0.64 N ATOM 936 CA GLY A 64 6.890 -10.808 -16.159 1.00 0.67 C ATOM 937 C GLY A 64 6.541 -9.325 -16.319 1.00 0.65 C ATOM 938 O GLY A 64 7.055 -8.652 -17.196 1.00 0.76 O ATOM 0 H GLY A 64 4.828 -11.223 -15.781 1.00 0.64 H new ATOM 0 HA2 GLY A 64 7.396 -10.970 -15.207 1.00 0.67 H new ATOM 0 HA3 GLY A 64 7.582 -11.113 -16.944 1.00 0.67 H new ATOM 942 N VAL A 65 5.678 -8.812 -15.473 1.00 0.57 N ATOM 943 CA VAL A 65 5.289 -7.368 -15.556 1.00 0.58 C ATOM 944 C VAL A 65 5.383 -6.745 -14.158 1.00 0.52 C ATOM 945 O VAL A 65 4.699 -7.159 -13.242 1.00 0.54 O ATOM 946 CB VAL A 65 3.853 -7.249 -16.083 1.00 0.61 C ATOM 947 CG1 VAL A 65 3.478 -5.770 -16.230 1.00 0.70 C ATOM 948 CG2 VAL A 65 3.748 -7.933 -17.449 1.00 0.72 C ATOM 0 H VAL A 65 5.224 -9.335 -14.724 1.00 0.57 H new ATOM 0 HA VAL A 65 5.960 -6.844 -16.237 1.00 0.58 H new ATOM 0 HB VAL A 65 3.173 -7.730 -15.380 1.00 0.61 H new ATOM 0 HG11 VAL A 65 2.458 -5.689 -16.604 1.00 0.70 H new ATOM 0 HG12 VAL A 65 3.549 -5.279 -15.260 1.00 0.70 H new ATOM 0 HG13 VAL A 65 4.161 -5.289 -16.931 1.00 0.70 H new ATOM 0 HG21 VAL A 65 2.727 -7.847 -17.821 1.00 0.72 H new ATOM 0 HG22 VAL A 65 4.431 -7.453 -18.150 1.00 0.72 H new ATOM 0 HG23 VAL A 65 4.011 -8.986 -17.350 1.00 0.72 H new ATOM 958 N GLY A 66 6.233 -5.757 -13.991 1.00 0.55 N ATOM 959 CA GLY A 66 6.392 -5.099 -12.659 1.00 0.52 C ATOM 960 C GLY A 66 5.206 -4.173 -12.390 1.00 0.48 C ATOM 961 O GLY A 66 5.247 -2.994 -12.692 1.00 0.56 O ATOM 0 H GLY A 66 6.827 -5.378 -14.729 1.00 0.55 H new ATOM 0 HA2 GLY A 66 6.459 -5.855 -11.876 1.00 0.52 H new ATOM 0 HA3 GLY A 66 7.321 -4.530 -12.633 1.00 0.52 H new ATOM 965 N VAL A 67 4.154 -4.704 -11.819 1.00 0.41 N ATOM 966 CA VAL A 67 2.946 -3.873 -11.513 1.00 0.42 C ATOM 967 C VAL A 67 3.239 -2.962 -10.311 1.00 0.44 C ATOM 968 O VAL A 67 3.759 -3.398 -9.294 1.00 0.48 O ATOM 969 CB VAL A 67 1.751 -4.783 -11.187 1.00 0.42 C ATOM 970 CG1 VAL A 67 0.473 -3.943 -11.119 1.00 0.51 C ATOM 971 CG2 VAL A 67 1.600 -5.849 -12.276 1.00 0.47 C ATOM 0 H VAL A 67 4.078 -5.685 -11.549 1.00 0.41 H new ATOM 0 HA VAL A 67 2.704 -3.263 -12.383 1.00 0.42 H new ATOM 0 HB VAL A 67 1.921 -5.269 -10.226 1.00 0.42 H new ATOM 0 HG11 VAL A 67 -0.375 -4.588 -10.888 1.00 0.51 H new ATOM 0 HG12 VAL A 67 0.576 -3.186 -10.341 1.00 0.51 H new ATOM 0 HG13 VAL A 67 0.306 -3.455 -12.080 1.00 0.51 H new ATOM 0 HG21 VAL A 67 0.752 -6.492 -12.041 1.00 0.47 H new ATOM 0 HG22 VAL A 67 1.433 -5.365 -13.238 1.00 0.47 H new ATOM 0 HG23 VAL A 67 2.508 -6.450 -12.325 1.00 0.47 H new ATOM 981 N ASN A 68 2.906 -1.699 -10.431 1.00 0.49 N ATOM 982 CA ASN A 68 3.150 -0.733 -9.317 1.00 0.55 C ATOM 983 C ASN A 68 1.807 -0.259 -8.737 1.00 0.56 C ATOM 984 O ASN A 68 0.775 -0.408 -9.368 1.00 0.56 O ATOM 985 CB ASN A 68 3.928 0.473 -9.856 1.00 0.65 C ATOM 986 CG ASN A 68 5.394 0.085 -10.070 1.00 0.82 C ATOM 987 OD1 ASN A 68 6.144 -0.049 -9.124 1.00 1.00 O ATOM 988 ND2 ASN A 68 5.836 -0.101 -11.285 1.00 1.07 N ATOM 0 H ASN A 68 2.472 -1.294 -11.261 1.00 0.49 H new ATOM 0 HA ASN A 68 3.727 -1.222 -8.532 1.00 0.55 H new ATOM 0 HB2 ASN A 68 3.490 0.811 -10.795 1.00 0.65 H new ATOM 0 HB3 ASN A 68 3.860 1.305 -9.155 1.00 0.65 H new ATOM 0 HD21 ASN A 68 6.811 -0.359 -11.439 1.00 1.07 H new ATOM 0 HD22 ASN A 68 5.206 0.011 -12.080 1.00 1.07 H new ATOM 995 N PRO A 69 1.864 0.305 -7.547 1.00 0.62 N ATOM 996 CA PRO A 69 0.669 0.821 -6.848 1.00 0.69 C ATOM 997 C PRO A 69 0.249 2.181 -7.436 1.00 0.76 C ATOM 998 O PRO A 69 0.264 3.196 -6.762 1.00 0.89 O ATOM 999 CB PRO A 69 1.138 0.954 -5.393 1.00 0.79 C ATOM 1000 CG PRO A 69 2.681 1.060 -5.438 1.00 0.79 C ATOM 1001 CD PRO A 69 3.124 0.479 -6.792 1.00 0.68 C ATOM 0 HA PRO A 69 -0.205 0.177 -6.945 1.00 0.69 H new ATOM 0 HB2 PRO A 69 0.702 1.836 -4.924 1.00 0.79 H new ATOM 0 HB3 PRO A 69 0.825 0.092 -4.804 1.00 0.79 H new ATOM 0 HG2 PRO A 69 3.001 2.097 -5.339 1.00 0.79 H new ATOM 0 HG3 PRO A 69 3.131 0.507 -4.614 1.00 0.79 H new ATOM 0 HD2 PRO A 69 3.807 1.153 -7.309 1.00 0.68 H new ATOM 0 HD3 PRO A 69 3.646 -0.470 -6.666 1.00 0.68 H new ATOM 1009 N ALA A 70 -0.118 2.199 -8.696 1.00 0.71 N ATOM 1010 CA ALA A 70 -0.538 3.478 -9.353 1.00 0.80 C ATOM 1011 C ALA A 70 -1.944 3.338 -9.970 1.00 0.78 C ATOM 1012 O ALA A 70 -2.570 4.326 -10.313 1.00 1.02 O ATOM 1013 CB ALA A 70 0.466 3.831 -10.454 1.00 0.84 C ATOM 0 H ALA A 70 -0.145 1.378 -9.300 1.00 0.71 H new ATOM 0 HA ALA A 70 -0.565 4.267 -8.601 1.00 0.80 H new ATOM 0 HB1 ALA A 70 0.165 4.761 -10.936 1.00 0.84 H new ATOM 0 HB2 ALA A 70 1.457 3.952 -10.017 1.00 0.84 H new ATOM 0 HB3 ALA A 70 0.491 3.031 -11.194 1.00 0.84 H new ATOM 1019 N GLN A 71 -2.445 2.129 -10.116 1.00 0.92 N ATOM 1020 CA GLN A 71 -3.806 1.930 -10.712 1.00 0.89 C ATOM 1021 C GLN A 71 -4.754 1.320 -9.660 1.00 0.86 C ATOM 1022 O GLN A 71 -4.308 0.847 -8.632 1.00 0.85 O ATOM 1023 CB GLN A 71 -3.691 0.993 -11.924 1.00 0.83 C ATOM 1024 CG GLN A 71 -3.215 -0.395 -11.477 1.00 0.76 C ATOM 1025 CD GLN A 71 -2.211 -0.943 -12.493 1.00 0.94 C ATOM 1026 OE1 GLN A 71 -2.587 -1.607 -13.439 1.00 1.22 O ATOM 1027 NE2 GLN A 71 -0.938 -0.695 -12.336 1.00 1.10 N ATOM 0 H GLN A 71 -1.966 1.270 -9.846 1.00 0.92 H new ATOM 0 HA GLN A 71 -4.211 2.890 -11.032 1.00 0.89 H new ATOM 0 HB2 GLN A 71 -4.657 0.911 -12.423 1.00 0.83 H new ATOM 0 HB3 GLN A 71 -2.992 1.409 -12.650 1.00 0.83 H new ATOM 0 HG2 GLN A 71 -2.754 -0.333 -10.491 1.00 0.76 H new ATOM 0 HG3 GLN A 71 -4.065 -1.072 -11.389 1.00 0.76 H new ATOM 0 HE21 GLN A 71 -0.621 -0.138 -11.543 1.00 1.10 H new ATOM 0 HE22 GLN A 71 -0.261 -1.058 -13.007 1.00 1.10 H new ATOM 1036 N PRO A 72 -6.039 1.352 -9.951 1.00 0.88 N ATOM 1037 CA PRO A 72 -7.076 0.809 -9.046 1.00 0.89 C ATOM 1038 C PRO A 72 -7.116 -0.726 -9.109 1.00 0.80 C ATOM 1039 O PRO A 72 -6.639 -1.332 -10.053 1.00 0.75 O ATOM 1040 CB PRO A 72 -8.376 1.416 -9.582 1.00 0.97 C ATOM 1041 CG PRO A 72 -8.106 1.798 -11.056 1.00 0.97 C ATOM 1042 CD PRO A 72 -6.579 1.927 -11.203 1.00 0.92 C ATOM 0 HA PRO A 72 -6.894 1.055 -8.000 1.00 0.89 H new ATOM 0 HB2 PRO A 72 -9.196 0.702 -9.510 1.00 0.97 H new ATOM 0 HB3 PRO A 72 -8.664 2.292 -9.001 1.00 0.97 H new ATOM 0 HG2 PRO A 72 -8.498 1.037 -11.732 1.00 0.97 H new ATOM 0 HG3 PRO A 72 -8.601 2.735 -11.310 1.00 0.97 H new ATOM 0 HD2 PRO A 72 -6.217 1.386 -12.077 1.00 0.92 H new ATOM 0 HD3 PRO A 72 -6.278 2.968 -11.325 1.00 0.92 H new ATOM 1050 N ALA A 73 -7.685 -1.352 -8.103 1.00 0.82 N ATOM 1051 CA ALA A 73 -7.771 -2.848 -8.076 1.00 0.76 C ATOM 1052 C ALA A 73 -8.555 -3.350 -9.297 1.00 0.74 C ATOM 1053 O ALA A 73 -8.208 -4.358 -9.887 1.00 0.70 O ATOM 1054 CB ALA A 73 -8.479 -3.297 -6.796 1.00 0.84 C ATOM 0 H ALA A 73 -8.096 -0.886 -7.294 1.00 0.82 H new ATOM 0 HA ALA A 73 -6.764 -3.264 -8.102 1.00 0.76 H new ATOM 0 HB1 ALA A 73 -8.541 -4.385 -6.777 1.00 0.84 H new ATOM 0 HB2 ALA A 73 -7.917 -2.951 -5.929 1.00 0.84 H new ATOM 0 HB3 ALA A 73 -9.484 -2.876 -6.769 1.00 0.84 H new ATOM 1060 N GLY A 74 -9.601 -2.652 -9.683 1.00 0.82 N ATOM 1061 CA GLY A 74 -10.409 -3.077 -10.870 1.00 0.83 C ATOM 1062 C GLY A 74 -9.502 -3.186 -12.102 1.00 0.73 C ATOM 1063 O GLY A 74 -9.592 -4.133 -12.862 1.00 0.71 O ATOM 0 H GLY A 74 -9.929 -1.803 -9.223 1.00 0.82 H new ATOM 0 HA2 GLY A 74 -10.886 -4.037 -10.672 1.00 0.83 H new ATOM 0 HA3 GLY A 74 -11.206 -2.357 -11.056 1.00 0.83 H new ATOM 1067 N ASN A 75 -8.625 -2.225 -12.296 1.00 0.73 N ATOM 1068 CA ASN A 75 -7.698 -2.262 -13.470 1.00 0.67 C ATOM 1069 C ASN A 75 -6.666 -3.386 -13.280 1.00 0.59 C ATOM 1070 O ASN A 75 -6.255 -4.020 -14.233 1.00 0.57 O ATOM 1071 CB ASN A 75 -6.972 -0.918 -13.589 1.00 0.75 C ATOM 1072 CG ASN A 75 -6.487 -0.718 -15.027 1.00 0.86 C ATOM 1073 OD1 ASN A 75 -7.233 -0.270 -15.875 1.00 1.11 O ATOM 1074 ND2 ASN A 75 -5.258 -1.033 -15.341 1.00 1.10 N ATOM 0 H ASN A 75 -8.514 -1.414 -11.687 1.00 0.73 H new ATOM 0 HA ASN A 75 -8.272 -2.449 -14.377 1.00 0.67 H new ATOM 0 HB2 ASN A 75 -7.641 -0.106 -13.305 1.00 0.75 H new ATOM 0 HB3 ASN A 75 -6.126 -0.889 -12.902 1.00 0.75 H new ATOM 0 HD21 ASN A 75 -4.926 -0.903 -16.297 1.00 1.10 H new ATOM 0 HD22 ASN A 75 -4.630 -1.409 -14.630 1.00 1.10 H new ATOM 1081 N ILE A 76 -6.250 -3.633 -12.055 1.00 0.56 N ATOM 1082 CA ILE A 76 -5.247 -4.716 -11.790 1.00 0.50 C ATOM 1083 C ILE A 76 -5.828 -6.070 -12.224 1.00 0.48 C ATOM 1084 O ILE A 76 -5.161 -6.857 -12.866 1.00 0.49 O ATOM 1085 CB ILE A 76 -4.915 -4.753 -10.290 1.00 0.53 C ATOM 1086 CG1 ILE A 76 -4.208 -3.450 -9.888 1.00 0.58 C ATOM 1087 CG2 ILE A 76 -4.009 -5.953 -9.983 1.00 0.51 C ATOM 1088 CD1 ILE A 76 -2.754 -3.463 -10.373 1.00 0.56 C ATOM 0 H ILE A 76 -6.565 -3.128 -11.226 1.00 0.56 H new ATOM 0 HA ILE A 76 -4.337 -4.515 -12.356 1.00 0.50 H new ATOM 0 HB ILE A 76 -5.839 -4.853 -9.721 1.00 0.53 H new ATOM 0 HG12 ILE A 76 -4.734 -2.596 -10.315 1.00 0.58 H new ATOM 0 HG13 ILE A 76 -4.236 -3.332 -8.805 1.00 0.58 H new ATOM 0 HG21 ILE A 76 -3.778 -5.972 -8.918 1.00 0.51 H new ATOM 0 HG22 ILE A 76 -4.520 -6.875 -10.260 1.00 0.51 H new ATOM 0 HG23 ILE A 76 -3.084 -5.866 -10.553 1.00 0.51 H new ATOM 0 HD11 ILE A 76 -2.265 -2.534 -10.081 1.00 0.56 H new ATOM 0 HD12 ILE A 76 -2.228 -4.306 -9.925 1.00 0.56 H new ATOM 0 HD13 ILE A 76 -2.733 -3.559 -11.459 1.00 0.56 H new ATOM 1100 N PHE A 77 -7.067 -6.338 -11.875 1.00 0.52 N ATOM 1101 CA PHE A 77 -7.704 -7.636 -12.264 1.00 0.55 C ATOM 1102 C PHE A 77 -8.001 -7.633 -13.772 1.00 0.54 C ATOM 1103 O PHE A 77 -7.837 -8.636 -14.443 1.00 0.59 O ATOM 1104 CB PHE A 77 -9.012 -7.813 -11.481 1.00 0.65 C ATOM 1105 CG PHE A 77 -9.335 -9.284 -11.349 1.00 0.67 C ATOM 1106 CD1 PHE A 77 -9.937 -9.967 -12.414 1.00 0.82 C ATOM 1107 CD2 PHE A 77 -9.038 -9.965 -10.161 1.00 0.71 C ATOM 1108 CE1 PHE A 77 -10.239 -11.327 -12.293 1.00 0.90 C ATOM 1109 CE2 PHE A 77 -9.341 -11.326 -10.040 1.00 0.79 C ATOM 1110 CZ PHE A 77 -9.942 -12.007 -11.106 1.00 0.84 C ATOM 0 H PHE A 77 -7.664 -5.711 -11.336 1.00 0.52 H new ATOM 0 HA PHE A 77 -7.027 -8.459 -12.033 1.00 0.55 H new ATOM 0 HB2 PHE A 77 -8.919 -7.362 -10.493 1.00 0.65 H new ATOM 0 HB3 PHE A 77 -9.825 -7.297 -11.992 1.00 0.65 H new ATOM 0 HD1 PHE A 77 -10.168 -9.443 -13.329 1.00 0.82 H new ATOM 0 HD2 PHE A 77 -8.575 -9.440 -9.339 1.00 0.71 H new ATOM 0 HE1 PHE A 77 -10.701 -11.853 -13.115 1.00 0.90 H new ATOM 0 HE2 PHE A 77 -9.111 -11.851 -9.125 1.00 0.79 H new ATOM 0 HZ PHE A 77 -10.176 -13.057 -11.012 1.00 0.84 H new ATOM 1120 N LEU A 78 -8.437 -6.513 -14.302 1.00 0.55 N ATOM 1121 CA LEU A 78 -8.752 -6.423 -15.765 1.00 0.57 C ATOM 1122 C LEU A 78 -7.474 -6.603 -16.601 1.00 0.56 C ATOM 1123 O LEU A 78 -7.512 -7.162 -17.683 1.00 0.69 O ATOM 1124 CB LEU A 78 -9.360 -5.043 -16.067 1.00 0.64 C ATOM 1125 CG LEU A 78 -10.870 -5.160 -16.315 1.00 0.76 C ATOM 1126 CD1 LEU A 78 -11.129 -5.967 -17.590 1.00 0.86 C ATOM 1127 CD2 LEU A 78 -11.544 -5.856 -15.128 1.00 0.85 C ATOM 0 H LEU A 78 -8.589 -5.651 -13.779 1.00 0.55 H new ATOM 0 HA LEU A 78 -9.459 -7.211 -16.023 1.00 0.57 H new ATOM 0 HB2 LEU A 78 -9.175 -4.367 -15.232 1.00 0.64 H new ATOM 0 HB3 LEU A 78 -8.875 -4.610 -16.942 1.00 0.64 H new ATOM 0 HG LEU A 78 -11.285 -4.159 -16.430 1.00 0.76 H new ATOM 0 HD11 LEU A 78 -12.203 -6.046 -17.759 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -10.664 -5.466 -18.439 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -10.705 -6.965 -17.481 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -12.615 -5.935 -15.313 1.00 0.85 H new ATOM 0 HD22 LEU A 78 -11.123 -6.854 -15.004 1.00 0.85 H new ATOM 0 HD23 LEU A 78 -11.374 -5.275 -14.221 1.00 0.85 H new ATOM 1139 N LYS A 79 -6.349 -6.122 -16.116 1.00 0.55 N ATOM 1140 CA LYS A 79 -5.071 -6.245 -16.885 1.00 0.62 C ATOM 1141 C LYS A 79 -4.339 -7.541 -16.507 1.00 0.57 C ATOM 1142 O LYS A 79 -4.051 -8.365 -17.355 1.00 0.71 O ATOM 1143 CB LYS A 79 -4.171 -5.043 -16.568 1.00 0.73 C ATOM 1144 CG LYS A 79 -3.590 -4.473 -17.865 1.00 0.98 C ATOM 1145 CD LYS A 79 -3.251 -2.994 -17.665 1.00 1.24 C ATOM 1146 CE LYS A 79 -2.091 -2.608 -18.586 1.00 1.58 C ATOM 1147 NZ LYS A 79 -1.597 -1.248 -18.226 1.00 2.07 N ATOM 0 H LYS A 79 -6.264 -5.648 -15.217 1.00 0.55 H new ATOM 0 HA LYS A 79 -5.301 -6.269 -17.950 1.00 0.62 H new ATOM 0 HB2 LYS A 79 -4.744 -4.276 -16.047 1.00 0.73 H new ATOM 0 HB3 LYS A 79 -3.365 -5.347 -15.900 1.00 0.73 H new ATOM 0 HG2 LYS A 79 -2.695 -5.027 -18.150 1.00 0.98 H new ATOM 0 HG3 LYS A 79 -4.307 -4.586 -18.678 1.00 0.98 H new ATOM 0 HD2 LYS A 79 -4.123 -2.377 -17.883 1.00 1.24 H new ATOM 0 HD3 LYS A 79 -2.981 -2.809 -16.625 1.00 1.24 H new ATOM 0 HE2 LYS A 79 -1.284 -3.335 -18.495 1.00 1.58 H new ATOM 0 HE3 LYS A 79 -2.418 -2.624 -19.626 1.00 1.58 H new ATOM 0 HZ1 LYS A 79 -0.809 -0.988 -18.853 1.00 2.07 H new ATOM 0 HZ2 LYS A 79 -2.368 -0.559 -18.335 1.00 2.07 H new ATOM 0 HZ3 LYS A 79 -1.269 -1.248 -17.239 1.00 2.07 H new ATOM 1161 N HIS A 80 -4.016 -7.712 -15.245 1.00 0.50 N ATOM 1162 CA HIS A 80 -3.275 -8.938 -14.804 1.00 0.53 C ATOM 1163 C HIS A 80 -4.260 -10.024 -14.349 1.00 0.54 C ATOM 1164 O HIS A 80 -4.274 -11.115 -14.890 1.00 0.73 O ATOM 1165 CB HIS A 80 -2.329 -8.579 -13.648 1.00 0.56 C ATOM 1166 CG HIS A 80 -1.655 -7.263 -13.939 1.00 0.57 C ATOM 1167 ND1 HIS A 80 -0.795 -7.093 -15.014 1.00 0.65 N ATOM 1168 CD2 HIS A 80 -1.724 -6.042 -13.317 1.00 0.62 C ATOM 1169 CE1 HIS A 80 -0.387 -5.811 -15.007 1.00 0.70 C ATOM 1170 NE2 HIS A 80 -0.924 -5.126 -13.993 1.00 0.68 N ATOM 0 H HIS A 80 -4.235 -7.052 -14.499 1.00 0.50 H new ATOM 0 HA HIS A 80 -2.696 -9.321 -15.644 1.00 0.53 H new ATOM 0 HB2 HIS A 80 -2.887 -8.515 -12.714 1.00 0.56 H new ATOM 0 HB3 HIS A 80 -1.581 -9.362 -13.519 1.00 0.56 H new ATOM 0 HD1 HIS A 80 -0.522 -7.809 -15.687 1.00 0.65 H new ATOM 0 HD2 HIS A 80 -2.310 -5.825 -12.436 1.00 0.62 H new ATOM 0 HE1 HIS A 80 0.292 -5.387 -15.732 1.00 0.70 H new ATOM 1178 N GLY A 81 -5.077 -9.737 -13.361 1.00 0.48 N ATOM 1179 CA GLY A 81 -6.058 -10.753 -12.869 1.00 0.52 C ATOM 1180 C GLY A 81 -5.797 -11.051 -11.388 1.00 0.55 C ATOM 1181 O GLY A 81 -5.996 -10.203 -10.536 1.00 0.77 O ATOM 0 H GLY A 81 -5.105 -8.841 -12.875 1.00 0.48 H new ATOM 0 HA2 GLY A 81 -7.075 -10.384 -13.002 1.00 0.52 H new ATOM 0 HA3 GLY A 81 -5.972 -11.668 -13.454 1.00 0.52 H new ATOM 1185 N SER A 82 -5.361 -12.251 -11.080 1.00 0.50 N ATOM 1186 CA SER A 82 -5.089 -12.620 -9.654 1.00 0.54 C ATOM 1187 C SER A 82 -3.639 -13.104 -9.495 1.00 0.49 C ATOM 1188 O SER A 82 -2.969 -12.747 -8.545 1.00 0.56 O ATOM 1189 CB SER A 82 -6.049 -13.734 -9.226 1.00 0.64 C ATOM 1190 OG SER A 82 -6.230 -13.684 -7.816 1.00 1.04 O ATOM 0 H SER A 82 -5.182 -12.992 -11.757 1.00 0.50 H new ATOM 0 HA SER A 82 -5.238 -11.742 -9.026 1.00 0.54 H new ATOM 0 HB2 SER A 82 -7.008 -13.617 -9.731 1.00 0.64 H new ATOM 0 HB3 SER A 82 -5.650 -14.705 -9.519 1.00 0.64 H new ATOM 0 HG SER A 82 -6.748 -12.886 -7.581 1.00 1.04 H new ATOM 1196 N GLU A 83 -3.159 -13.921 -10.411 1.00 0.49 N ATOM 1197 CA GLU A 83 -1.756 -14.441 -10.315 1.00 0.51 C ATOM 1198 C GLU A 83 -0.761 -13.273 -10.247 1.00 0.44 C ATOM 1199 O GLU A 83 -0.500 -12.605 -11.232 1.00 0.49 O ATOM 1200 CB GLU A 83 -1.447 -15.309 -11.541 1.00 0.61 C ATOM 1201 CG GLU A 83 -1.881 -16.754 -11.268 1.00 0.82 C ATOM 1202 CD GLU A 83 -0.664 -17.589 -10.855 1.00 0.97 C ATOM 1203 OE1 GLU A 83 -0.328 -17.571 -9.680 1.00 1.22 O ATOM 1204 OE2 GLU A 83 -0.089 -18.233 -11.717 1.00 1.15 O ATOM 0 H GLU A 83 -3.683 -14.249 -11.222 1.00 0.49 H new ATOM 0 HA GLU A 83 -1.660 -15.040 -9.409 1.00 0.51 H new ATOM 0 HB2 GLU A 83 -1.969 -14.921 -12.416 1.00 0.61 H new ATOM 0 HB3 GLU A 83 -0.381 -15.275 -11.765 1.00 0.61 H new ATOM 0 HG2 GLU A 83 -2.633 -16.775 -10.480 1.00 0.82 H new ATOM 0 HG3 GLU A 83 -2.341 -17.180 -12.159 1.00 0.82 H new ATOM 1211 N LEU A 84 -0.211 -13.028 -9.079 1.00 0.41 N ATOM 1212 CA LEU A 84 0.769 -11.908 -8.909 1.00 0.37 C ATOM 1213 C LEU A 84 1.918 -12.359 -7.993 1.00 0.37 C ATOM 1214 O LEU A 84 1.871 -13.421 -7.394 1.00 0.46 O ATOM 1215 CB LEU A 84 0.056 -10.701 -8.284 1.00 0.41 C ATOM 1216 CG LEU A 84 -0.799 -9.996 -9.344 1.00 0.51 C ATOM 1217 CD1 LEU A 84 -1.930 -9.220 -8.664 1.00 0.75 C ATOM 1218 CD2 LEU A 84 0.074 -9.024 -10.144 1.00 0.61 C ATOM 0 H LEU A 84 -0.402 -13.561 -8.231 1.00 0.41 H new ATOM 0 HA LEU A 84 1.175 -11.630 -9.882 1.00 0.37 H new ATOM 0 HB2 LEU A 84 -0.572 -11.027 -7.455 1.00 0.41 H new ATOM 0 HB3 LEU A 84 0.789 -10.006 -7.874 1.00 0.41 H new ATOM 0 HG LEU A 84 -1.224 -10.742 -10.015 1.00 0.51 H new ATOM 0 HD11 LEU A 84 -2.535 -8.721 -9.421 1.00 0.75 H new ATOM 0 HD12 LEU A 84 -2.555 -9.910 -8.097 1.00 0.75 H new ATOM 0 HD13 LEU A 84 -1.506 -8.476 -7.989 1.00 0.75 H new ATOM 0 HD21 LEU A 84 -0.535 -8.524 -10.897 1.00 0.61 H new ATOM 0 HD22 LEU A 84 0.502 -8.281 -9.471 1.00 0.61 H new ATOM 0 HD23 LEU A 84 0.877 -9.575 -10.634 1.00 0.61 H new ATOM 1230 N ARG A 85 2.952 -11.557 -7.885 1.00 0.36 N ATOM 1231 CA ARG A 85 4.118 -11.917 -7.016 1.00 0.38 C ATOM 1232 C ARG A 85 4.666 -10.651 -6.345 1.00 0.33 C ATOM 1233 O ARG A 85 4.727 -9.600 -6.953 1.00 0.38 O ATOM 1234 CB ARG A 85 5.214 -12.557 -7.876 1.00 0.47 C ATOM 1235 CG ARG A 85 5.093 -14.084 -7.812 1.00 0.71 C ATOM 1236 CD ARG A 85 5.065 -14.659 -9.233 1.00 0.92 C ATOM 1237 NE ARG A 85 6.393 -15.257 -9.559 1.00 1.23 N ATOM 1238 CZ ARG A 85 6.607 -15.775 -10.739 1.00 1.28 C ATOM 1239 NH1 ARG A 85 6.226 -17.002 -10.992 1.00 1.72 N ATOM 1240 NH2 ARG A 85 7.200 -15.065 -11.664 1.00 1.61 N ATOM 0 H ARG A 85 3.038 -10.662 -8.366 1.00 0.36 H new ATOM 0 HA ARG A 85 3.798 -12.623 -6.250 1.00 0.38 H new ATOM 0 HB2 ARG A 85 5.125 -12.218 -8.908 1.00 0.47 H new ATOM 0 HB3 ARG A 85 6.197 -12.245 -7.522 1.00 0.47 H new ATOM 0 HG2 ARG A 85 5.932 -14.502 -7.256 1.00 0.71 H new ATOM 0 HG3 ARG A 85 4.185 -14.365 -7.278 1.00 0.71 H new ATOM 0 HD2 ARG A 85 4.285 -15.416 -9.314 1.00 0.92 H new ATOM 0 HD3 ARG A 85 4.823 -13.874 -9.949 1.00 0.92 H new ATOM 0 HE ARG A 85 7.135 -15.261 -8.859 1.00 1.23 H new ATOM 0 HH11 ARG A 85 5.763 -17.552 -10.268 1.00 1.72 H new ATOM 0 HH12 ARG A 85 6.392 -17.408 -11.913 1.00 1.72 H new ATOM 0 HH21 ARG A 85 7.494 -14.109 -11.463 1.00 1.61 H new ATOM 0 HH22 ARG A 85 7.368 -15.467 -12.586 1.00 1.61 H new ATOM 1254 N LEU A 86 5.065 -10.742 -5.097 1.00 0.37 N ATOM 1255 CA LEU A 86 5.607 -9.540 -4.388 1.00 0.34 C ATOM 1256 C LEU A 86 7.134 -9.635 -4.291 1.00 0.39 C ATOM 1257 O LEU A 86 7.681 -10.636 -3.860 1.00 0.51 O ATOM 1258 CB LEU A 86 5.008 -9.446 -2.980 1.00 0.39 C ATOM 1259 CG LEU A 86 4.945 -7.976 -2.549 1.00 0.46 C ATOM 1260 CD1 LEU A 86 3.562 -7.665 -1.972 1.00 0.63 C ATOM 1261 CD2 LEU A 86 6.011 -7.708 -1.483 1.00 0.67 C ATOM 0 H LEU A 86 5.038 -11.596 -4.540 1.00 0.37 H new ATOM 0 HA LEU A 86 5.337 -8.648 -4.952 1.00 0.34 H new ATOM 0 HB2 LEU A 86 4.009 -9.883 -2.968 1.00 0.39 H new ATOM 0 HB3 LEU A 86 5.614 -10.017 -2.276 1.00 0.39 H new ATOM 0 HG LEU A 86 5.127 -7.341 -3.416 1.00 0.46 H new ATOM 0 HD11 LEU A 86 3.522 -6.619 -1.667 1.00 0.63 H new ATOM 0 HD12 LEU A 86 2.801 -7.851 -2.730 1.00 0.63 H new ATOM 0 HD13 LEU A 86 3.377 -8.302 -1.107 1.00 0.63 H new ATOM 0 HD21 LEU A 86 5.965 -6.663 -1.177 1.00 0.67 H new ATOM 0 HD22 LEU A 86 5.830 -8.347 -0.619 1.00 0.67 H new ATOM 0 HD23 LEU A 86 6.998 -7.923 -1.893 1.00 0.67 H new ATOM 1273 N ILE A 87 7.817 -8.589 -4.687 1.00 0.45 N ATOM 1274 CA ILE A 87 9.312 -8.575 -4.630 1.00 0.54 C ATOM 1275 C ILE A 87 9.779 -7.179 -4.176 1.00 0.52 C ATOM 1276 O ILE A 87 9.326 -6.180 -4.703 1.00 0.52 O ATOM 1277 CB ILE A 87 9.881 -8.898 -6.026 1.00 0.65 C ATOM 1278 CG1 ILE A 87 11.394 -8.639 -6.046 1.00 0.75 C ATOM 1279 CG2 ILE A 87 9.202 -8.021 -7.085 1.00 0.67 C ATOM 1280 CD1 ILE A 87 11.990 -9.169 -7.353 1.00 0.91 C ATOM 0 H ILE A 87 7.397 -7.734 -5.052 1.00 0.45 H new ATOM 0 HA ILE A 87 9.668 -9.324 -3.923 1.00 0.54 H new ATOM 0 HB ILE A 87 9.689 -9.948 -6.249 1.00 0.65 H new ATOM 0 HG12 ILE A 87 11.591 -7.571 -5.952 1.00 0.75 H new ATOM 0 HG13 ILE A 87 11.868 -9.127 -5.194 1.00 0.75 H new ATOM 0 HG21 ILE A 87 9.610 -8.256 -8.068 1.00 0.67 H new ATOM 0 HG22 ILE A 87 8.129 -8.212 -7.082 1.00 0.67 H new ATOM 0 HG23 ILE A 87 9.384 -6.970 -6.858 1.00 0.67 H new ATOM 0 HD11 ILE A 87 13.064 -8.984 -7.365 1.00 0.91 H new ATOM 0 HD12 ILE A 87 11.806 -10.241 -7.429 1.00 0.91 H new ATOM 0 HD13 ILE A 87 11.525 -8.660 -8.198 1.00 0.91 H new ATOM 1292 N PRO A 88 10.673 -7.150 -3.209 1.00 0.58 N ATOM 1293 CA PRO A 88 11.214 -5.887 -2.666 1.00 0.60 C ATOM 1294 C PRO A 88 12.209 -5.264 -3.657 1.00 0.68 C ATOM 1295 O PRO A 88 13.393 -5.556 -3.633 1.00 0.80 O ATOM 1296 CB PRO A 88 11.894 -6.314 -1.360 1.00 0.69 C ATOM 1297 CG PRO A 88 12.193 -7.824 -1.499 1.00 0.77 C ATOM 1298 CD PRO A 88 11.230 -8.365 -2.572 1.00 0.70 C ATOM 0 HA PRO A 88 10.454 -5.124 -2.498 1.00 0.60 H new ATOM 0 HB2 PRO A 88 12.812 -5.749 -1.197 1.00 0.69 H new ATOM 0 HB3 PRO A 88 11.246 -6.123 -0.504 1.00 0.69 H new ATOM 0 HG2 PRO A 88 13.230 -7.989 -1.791 1.00 0.77 H new ATOM 0 HG3 PRO A 88 12.044 -8.338 -0.549 1.00 0.77 H new ATOM 0 HD2 PRO A 88 11.752 -8.990 -3.296 1.00 0.70 H new ATOM 0 HD3 PRO A 88 10.445 -8.978 -2.129 1.00 0.70 H new ATOM 1306 N ARG A 89 11.716 -4.414 -4.538 1.00 0.68 N ATOM 1307 CA ARG A 89 12.585 -3.750 -5.565 1.00 0.83 C ATOM 1308 C ARG A 89 13.007 -4.774 -6.628 1.00 0.91 C ATOM 1309 O ARG A 89 13.509 -5.840 -6.315 1.00 1.00 O ATOM 1310 CB ARG A 89 13.828 -3.139 -4.904 1.00 0.94 C ATOM 1311 CG ARG A 89 14.323 -1.953 -5.741 1.00 1.17 C ATOM 1312 CD ARG A 89 15.530 -2.381 -6.581 1.00 1.45 C ATOM 1313 NE ARG A 89 15.956 -1.250 -7.456 1.00 1.82 N ATOM 1314 CZ ARG A 89 16.906 -1.427 -8.336 1.00 2.17 C ATOM 1315 NH1 ARG A 89 16.608 -1.826 -9.547 1.00 2.62 N ATOM 1316 NH2 ARG A 89 18.152 -1.201 -8.005 1.00 2.52 N ATOM 0 H ARG A 89 10.732 -4.151 -4.586 1.00 0.68 H new ATOM 0 HA ARG A 89 12.017 -2.950 -6.040 1.00 0.83 H new ATOM 0 HB2 ARG A 89 13.590 -2.810 -3.893 1.00 0.94 H new ATOM 0 HB3 ARG A 89 14.613 -3.890 -4.818 1.00 0.94 H new ATOM 0 HG2 ARG A 89 13.524 -1.596 -6.391 1.00 1.17 H new ATOM 0 HG3 ARG A 89 14.598 -1.124 -5.088 1.00 1.17 H new ATOM 0 HD2 ARG A 89 16.351 -2.680 -5.930 1.00 1.45 H new ATOM 0 HD3 ARG A 89 15.274 -3.248 -7.189 1.00 1.45 H new ATOM 0 HE ARG A 89 15.506 -0.339 -7.367 1.00 1.82 H new ATOM 0 HH11 ARG A 89 15.636 -1.998 -9.802 1.00 2.62 H new ATOM 0 HH12 ARG A 89 17.348 -1.965 -10.235 1.00 2.62 H new ATOM 0 HH21 ARG A 89 18.380 -0.887 -7.062 1.00 2.52 H new ATOM 0 HH22 ARG A 89 18.895 -1.339 -8.690 1.00 2.52 H new ATOM 1330 N ASP A 90 12.801 -4.454 -7.883 1.00 1.02 N ATOM 1331 CA ASP A 90 13.180 -5.397 -8.979 1.00 1.15 C ATOM 1332 C ASP A 90 14.579 -5.049 -9.501 1.00 1.37 C ATOM 1333 O ASP A 90 14.780 -4.023 -10.127 1.00 1.53 O ATOM 1334 CB ASP A 90 12.162 -5.289 -10.122 1.00 1.17 C ATOM 1335 CG ASP A 90 11.051 -6.326 -9.924 1.00 1.29 C ATOM 1336 OD1 ASP A 90 11.248 -7.464 -10.321 1.00 1.48 O ATOM 1337 OD2 ASP A 90 10.019 -5.965 -9.380 1.00 1.47 O ATOM 0 H ASP A 90 12.385 -3.577 -8.195 1.00 1.02 H new ATOM 0 HA ASP A 90 13.185 -6.416 -8.592 1.00 1.15 H new ATOM 0 HB2 ASP A 90 11.736 -4.286 -10.149 1.00 1.17 H new ATOM 0 HB3 ASP A 90 12.657 -5.451 -11.079 1.00 1.17 H new ATOM 1342 N ARG A 91 15.544 -5.904 -9.250 1.00 1.52 N ATOM 1343 CA ARG A 91 16.937 -5.641 -9.731 1.00 1.81 C ATOM 1344 C ARG A 91 17.052 -6.084 -11.195 1.00 2.04 C ATOM 1345 O ARG A 91 17.377 -5.294 -12.064 1.00 2.28 O ATOM 1346 CB ARG A 91 17.936 -6.427 -8.871 1.00 1.95 C ATOM 1347 CG ARG A 91 18.445 -5.542 -7.729 1.00 2.04 C ATOM 1348 CD ARG A 91 17.494 -5.643 -6.532 1.00 2.03 C ATOM 1349 NE ARG A 91 17.780 -6.893 -5.769 1.00 2.06 N ATOM 1350 CZ ARG A 91 16.803 -7.686 -5.419 1.00 2.17 C ATOM 1351 NH1 ARG A 91 16.151 -7.466 -4.305 1.00 2.55 N ATOM 1352 NH2 ARG A 91 16.478 -8.698 -6.184 1.00 2.32 N ATOM 0 H ARG A 91 15.425 -6.774 -8.731 1.00 1.52 H new ATOM 0 HA ARG A 91 17.160 -4.577 -9.652 1.00 1.81 H new ATOM 0 HB2 ARG A 91 17.459 -7.320 -8.467 1.00 1.95 H new ATOM 0 HB3 ARG A 91 18.772 -6.763 -9.484 1.00 1.95 H new ATOM 0 HG2 ARG A 91 19.448 -5.852 -7.436 1.00 2.04 H new ATOM 0 HG3 ARG A 91 18.516 -4.507 -8.063 1.00 2.04 H new ATOM 0 HD2 ARG A 91 17.615 -4.774 -5.885 1.00 2.03 H new ATOM 0 HD3 ARG A 91 16.460 -5.643 -6.876 1.00 2.03 H new ATOM 0 HE ARG A 91 18.741 -7.129 -5.520 1.00 2.06 H new ATOM 0 HH11 ARG A 91 16.406 -6.676 -3.712 1.00 2.55 H new ATOM 0 HH12 ARG A 91 15.388 -8.084 -4.030 1.00 2.55 H new ATOM 0 HH21 ARG A 91 16.988 -8.866 -7.051 1.00 2.32 H new ATOM 0 HH22 ARG A 91 15.715 -9.318 -5.912 1.00 2.32 H new ATOM 1366 N VAL A 92 16.776 -7.339 -11.471 1.00 2.06 N ATOM 1367 CA VAL A 92 16.852 -7.850 -12.876 1.00 2.35 C ATOM 1368 C VAL A 92 15.589 -7.435 -13.654 1.00 2.14 C ATOM 1369 O VAL A 92 15.600 -7.365 -14.869 1.00 2.39 O ATOM 1370 CB VAL A 92 16.975 -9.384 -12.856 1.00 2.56 C ATOM 1371 CG1 VAL A 92 15.657 -10.014 -12.393 1.00 2.29 C ATOM 1372 CG2 VAL A 92 17.311 -9.895 -14.261 1.00 2.94 C ATOM 0 H VAL A 92 16.500 -8.034 -10.777 1.00 2.06 H new ATOM 0 HA VAL A 92 17.726 -7.424 -13.369 1.00 2.35 H new ATOM 0 HB VAL A 92 17.770 -9.662 -12.164 1.00 2.56 H new ATOM 0 HG11 VAL A 92 15.756 -11.099 -12.383 1.00 2.29 H new ATOM 0 HG12 VAL A 92 15.418 -9.662 -11.389 1.00 2.29 H new ATOM 0 HG13 VAL A 92 14.858 -9.729 -13.077 1.00 2.29 H new ATOM 0 HG21 VAL A 92 17.397 -10.981 -14.242 1.00 2.94 H new ATOM 0 HG22 VAL A 92 16.519 -9.606 -14.952 1.00 2.94 H new ATOM 0 HG23 VAL A 92 18.256 -9.462 -14.589 1.00 2.94 H new ATOM 1382 N GLY A 93 14.505 -7.167 -12.959 1.00 1.75 N ATOM 1383 CA GLY A 93 13.240 -6.767 -13.645 1.00 1.63 C ATOM 1384 C GLY A 93 12.255 -7.938 -13.607 1.00 1.34 C ATOM 1385 O GLY A 93 12.320 -8.780 -12.727 1.00 1.43 O ATOM 0 H GLY A 93 14.446 -7.210 -11.942 1.00 1.75 H new ATOM 0 HA2 GLY A 93 12.806 -5.895 -13.155 1.00 1.63 H new ATOM 0 HA3 GLY A 93 13.446 -6.483 -14.677 1.00 1.63 H new ATOM 1389 N HIS A 94 11.347 -7.996 -14.559 1.00 1.21 N ATOM 1390 CA HIS A 94 10.344 -9.111 -14.606 1.00 1.10 C ATOM 1391 C HIS A 94 9.304 -8.926 -13.483 1.00 0.89 C ATOM 1392 O HIS A 94 8.196 -8.525 -13.796 1.00 0.83 O ATOM 1393 CB HIS A 94 11.069 -10.459 -14.451 1.00 1.49 C ATOM 1394 CG HIS A 94 10.300 -11.545 -15.147 1.00 1.91 C ATOM 1395 ND1 HIS A 94 10.319 -11.699 -16.524 1.00 2.18 N ATOM 1396 CD2 HIS A 94 9.507 -12.557 -14.666 1.00 2.52 C ATOM 1397 CE1 HIS A 94 9.562 -12.770 -16.821 1.00 2.80 C ATOM 1398 NE2 HIS A 94 9.043 -13.330 -15.724 1.00 3.02 N ATOM 1399 OXT HIS A 94 9.632 -9.181 -12.331 1.00 1.17 O ATOM 0 H HIS A 94 11.259 -7.312 -15.311 1.00 1.21 H new ATOM 0 HA HIS A 94 9.826 -9.096 -15.565 1.00 1.10 H new ATOM 0 HB2 HIS A 94 12.074 -10.390 -14.868 1.00 1.49 H new ATOM 0 HB3 HIS A 94 11.179 -10.702 -13.394 1.00 1.49 H new ATOM 0 HD2 HIS A 94 9.278 -12.727 -13.624 1.00 2.52 H new ATOM 0 HE1 HIS A 94 9.394 -13.133 -17.824 1.00 2.80 H new ATOM 0 HE2 HIS A 94 8.437 -14.149 -15.674 1.00 3.02 H new TER 1407 HIS A 94