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 -160:sc= -0.0492 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -2.03 X(o=-2.1,f=-1.9) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: 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+ 152:sc= -1.1 (180deg=-1.78!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 38:sc= 0.669 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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 15 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 170:sc= -0.109 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+ 164:sc= 0.0911 (180deg=0.0339) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -149:sc= -0.678 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0256 (180deg=-0.292) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 57 SER OG : rot 105:sc= 0.526 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 ASN : amide:sc=-0.000864 X(o=-0.00086,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 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 82 SER OG : rot 62:sc= 0.465 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.298 3.339 -21.160 1.00 3.20 N ATOM 2 CA MET A 1 -20.278 4.212 -22.370 1.00 2.85 C ATOM 3 C MET A 1 -20.101 5.671 -21.945 1.00 2.71 C ATOM 4 O MET A 1 -20.357 6.039 -20.810 1.00 2.79 O ATOM 5 CB MET A 1 -21.585 4.062 -23.161 1.00 2.71 C ATOM 6 CG MET A 1 -22.789 4.288 -22.241 1.00 2.78 C ATOM 7 SD MET A 1 -23.885 2.856 -22.340 1.00 3.24 S ATOM 8 CE MET A 1 -25.365 3.760 -22.838 1.00 3.75 C ATOM 0 H1 MET A 1 -20.862 2.487 -21.356 1.00 3.20 H new ATOM 0 H2 MET A 1 -19.326 3.062 -20.916 1.00 3.20 H new ATOM 0 H3 MET A 1 -20.720 3.858 -20.364 1.00 3.20 H new ATOM 0 HA MET A 1 -19.446 3.911 -23.007 1.00 2.85 H new ATOM 0 HB2 MET A 1 -21.606 4.779 -23.982 1.00 2.71 H new ATOM 0 HB3 MET A 1 -21.638 3.068 -23.604 1.00 2.71 H new ATOM 0 HG2 MET A 1 -22.455 4.436 -21.214 1.00 2.78 H new ATOM 0 HG3 MET A 1 -23.323 5.191 -22.536 1.00 2.78 H new ATOM 0 HE1 MET A 1 -26.193 3.062 -22.962 1.00 3.75 H new ATOM 0 HE2 MET A 1 -25.619 4.492 -22.072 1.00 3.75 H new ATOM 0 HE3 MET A 1 -25.178 4.273 -23.782 1.00 3.75 H new ATOM 20 N SER A 2 -19.659 6.498 -22.854 1.00 3.01 N ATOM 21 CA SER A 2 -19.444 7.936 -22.535 1.00 3.41 C ATOM 22 C SER A 2 -20.561 8.774 -23.162 1.00 3.77 C ATOM 23 O SER A 2 -20.865 8.636 -24.335 1.00 3.94 O ATOM 24 CB SER A 2 -18.094 8.370 -23.108 1.00 3.69 C ATOM 25 OG SER A 2 -17.068 8.077 -22.170 1.00 3.87 O ATOM 0 H SER A 2 -19.436 6.234 -23.814 1.00 3.01 H new ATOM 0 HA SER A 2 -19.453 8.082 -21.455 1.00 3.41 H new ATOM 0 HB2 SER A 2 -17.902 7.852 -24.048 1.00 3.69 H new ATOM 0 HB3 SER A 2 -18.106 9.437 -23.329 1.00 3.69 H new ATOM 0 HG SER A 2 -16.202 8.353 -22.536 1.00 3.87 H new ATOM 31 N GLY A 3 -21.174 9.643 -22.396 1.00 4.07 N ATOM 32 CA GLY A 3 -22.266 10.494 -22.954 1.00 4.62 C ATOM 33 C GLY A 3 -23.570 10.224 -22.206 1.00 4.51 C ATOM 34 O GLY A 3 -24.427 9.499 -22.680 1.00 4.51 O ATOM 0 H GLY A 3 -20.964 9.798 -21.410 1.00 4.07 H new ATOM 0 HA2 GLY A 3 -21.998 11.547 -22.867 1.00 4.62 H new ATOM 0 HA3 GLY A 3 -22.396 10.284 -24.016 1.00 4.62 H new ATOM 38 N GLY A 4 -23.724 10.814 -21.046 1.00 4.60 N ATOM 39 CA GLY A 4 -24.973 10.616 -20.258 1.00 4.69 C ATOM 40 C GLY A 4 -24.694 9.738 -19.043 1.00 4.45 C ATOM 41 O GLY A 4 -24.522 10.226 -17.940 1.00 4.95 O ATOM 0 H GLY A 4 -23.033 11.426 -20.612 1.00 4.60 H new ATOM 0 HA2 GLY A 4 -25.366 11.581 -19.937 1.00 4.69 H new ATOM 0 HA3 GLY A 4 -25.737 10.153 -20.883 1.00 4.69 H new ATOM 45 N THR A 5 -24.666 8.445 -19.237 1.00 3.90 N ATOM 46 CA THR A 5 -24.424 7.515 -18.099 1.00 3.98 C ATOM 47 C THR A 5 -23.044 6.871 -18.237 1.00 3.60 C ATOM 48 O THR A 5 -22.828 6.004 -19.070 1.00 3.39 O ATOM 49 CB THR A 5 -25.524 6.441 -18.093 1.00 4.02 C ATOM 50 OG1 THR A 5 -25.555 5.777 -19.352 1.00 3.52 O ATOM 51 CG2 THR A 5 -26.877 7.108 -17.841 1.00 4.58 C ATOM 0 H THR A 5 -24.801 7.993 -20.141 1.00 3.90 H new ATOM 0 HA THR A 5 -24.451 8.063 -17.157 1.00 3.98 H new ATOM 0 HB THR A 5 -25.317 5.715 -17.307 1.00 4.02 H new ATOM 0 HG1 THR A 5 -24.640 5.666 -19.686 1.00 3.52 H new ATOM 0 HG21 THR A 5 -27.661 6.350 -17.836 1.00 4.58 H new ATOM 0 HG22 THR A 5 -26.858 7.617 -16.877 1.00 4.58 H new ATOM 0 HG23 THR A 5 -27.078 7.833 -18.630 1.00 4.58 H new ATOM 59 N ALA A 6 -22.110 7.280 -17.408 1.00 3.68 N ATOM 60 CA ALA A 6 -20.747 6.683 -17.460 1.00 3.44 C ATOM 61 C ALA A 6 -20.849 5.280 -16.871 1.00 3.40 C ATOM 62 O ALA A 6 -21.038 5.108 -15.678 1.00 3.77 O ATOM 63 CB ALA A 6 -19.766 7.532 -16.646 1.00 3.50 C ATOM 0 H ALA A 6 -22.239 8.002 -16.699 1.00 3.68 H new ATOM 0 HA ALA A 6 -20.379 6.645 -18.485 1.00 3.44 H new ATOM 0 HB1 ALA A 6 -18.773 7.085 -16.692 1.00 3.50 H new ATOM 0 HB2 ALA A 6 -19.729 8.541 -17.058 1.00 3.50 H new ATOM 0 HB3 ALA A 6 -20.097 7.575 -15.608 1.00 3.50 H new ATOM 69 N ALA A 7 -20.772 4.281 -17.706 1.00 3.15 N ATOM 70 CA ALA A 7 -20.911 2.884 -17.217 1.00 3.32 C ATOM 71 C ALA A 7 -19.538 2.246 -17.011 1.00 2.71 C ATOM 72 O ALA A 7 -18.810 1.985 -17.955 1.00 2.38 O ATOM 73 CB ALA A 7 -21.713 2.073 -18.233 1.00 3.61 C ATOM 0 H ALA A 7 -20.618 4.374 -18.710 1.00 3.15 H new ATOM 0 HA ALA A 7 -21.432 2.894 -16.259 1.00 3.32 H new ATOM 0 HB1 ALA A 7 -21.818 1.047 -17.879 1.00 3.61 H new ATOM 0 HB2 ALA A 7 -22.701 2.517 -18.355 1.00 3.61 H new ATOM 0 HB3 ALA A 7 -21.194 2.075 -19.191 1.00 3.61 H new ATOM 79 N THR A 8 -19.199 1.977 -15.777 1.00 2.68 N ATOM 80 CA THR A 8 -17.895 1.329 -15.469 1.00 2.17 C ATOM 81 C THR A 8 -18.163 -0.149 -15.178 1.00 2.00 C ATOM 82 O THR A 8 -18.821 -0.490 -14.209 1.00 2.14 O ATOM 83 CB THR A 8 -17.262 2.001 -14.245 1.00 2.14 C ATOM 84 OG1 THR A 8 -17.061 3.383 -14.514 1.00 2.53 O ATOM 85 CG2 THR A 8 -15.918 1.339 -13.929 1.00 1.85 C ATOM 0 H THR A 8 -19.778 2.182 -14.963 1.00 2.68 H new ATOM 0 HA THR A 8 -17.208 1.428 -16.310 1.00 2.17 H new ATOM 0 HB THR A 8 -17.927 1.890 -13.388 1.00 2.14 H new ATOM 0 HG1 THR A 8 -16.658 3.813 -13.731 1.00 2.53 H new ATOM 0 HG21 THR A 8 -15.471 1.820 -13.058 1.00 1.85 H new ATOM 0 HG22 THR A 8 -16.074 0.281 -13.719 1.00 1.85 H new ATOM 0 HG23 THR A 8 -15.250 1.445 -14.784 1.00 1.85 H new ATOM 93 N THR A 9 -17.680 -1.025 -16.025 1.00 1.87 N ATOM 94 CA THR A 9 -17.921 -2.486 -15.821 1.00 1.95 C ATOM 95 C THR A 9 -17.142 -2.975 -14.595 1.00 1.48 C ATOM 96 O THR A 9 -15.936 -3.147 -14.637 1.00 1.60 O ATOM 97 CB THR A 9 -17.476 -3.265 -17.065 1.00 2.49 C ATOM 98 OG1 THR A 9 -18.134 -2.743 -18.214 1.00 2.95 O ATOM 99 CG2 THR A 9 -17.833 -4.744 -16.897 1.00 2.84 C ATOM 0 H THR A 9 -17.128 -0.790 -16.850 1.00 1.87 H new ATOM 0 HA THR A 9 -18.986 -2.653 -15.657 1.00 1.95 H new ATOM 0 HB THR A 9 -16.398 -3.165 -17.189 1.00 2.49 H new ATOM 0 HG1 THR A 9 -17.848 -3.240 -19.009 1.00 2.95 H new ATOM 0 HG21 THR A 9 -17.517 -5.297 -17.781 1.00 2.84 H new ATOM 0 HG22 THR A 9 -17.326 -5.143 -16.018 1.00 2.84 H new ATOM 0 HG23 THR A 9 -18.911 -4.846 -16.771 1.00 2.84 H new ATOM 107 N ALA A 10 -17.835 -3.204 -13.507 1.00 1.19 N ATOM 108 CA ALA A 10 -17.165 -3.689 -12.266 1.00 0.97 C ATOM 109 C ALA A 10 -18.150 -4.543 -11.464 1.00 0.87 C ATOM 110 O ALA A 10 -19.254 -4.119 -11.167 1.00 0.99 O ATOM 111 CB ALA A 10 -16.712 -2.489 -11.428 1.00 1.20 C ATOM 0 H ALA A 10 -18.844 -3.074 -13.427 1.00 1.19 H new ATOM 0 HA ALA A 10 -16.294 -4.290 -12.527 1.00 0.97 H new ATOM 0 HB1 ALA A 10 -16.222 -2.843 -10.521 1.00 1.20 H new ATOM 0 HB2 ALA A 10 -16.013 -1.885 -12.006 1.00 1.20 H new ATOM 0 HB3 ALA A 10 -17.578 -1.884 -11.160 1.00 1.20 H new ATOM 117 N GLY A 11 -17.758 -5.746 -11.115 1.00 0.80 N ATOM 118 CA GLY A 11 -18.661 -6.645 -10.336 1.00 0.89 C ATOM 119 C GLY A 11 -18.805 -6.113 -8.908 1.00 0.93 C ATOM 120 O GLY A 11 -19.572 -5.202 -8.652 1.00 1.18 O ATOM 0 H GLY A 11 -16.846 -6.143 -11.339 1.00 0.80 H new ATOM 0 HA2 GLY A 11 -19.639 -6.700 -10.815 1.00 0.89 H new ATOM 0 HA3 GLY A 11 -18.257 -7.657 -10.319 1.00 0.89 H new ATOM 124 N SER A 12 -18.071 -6.678 -7.981 1.00 0.94 N ATOM 125 CA SER A 12 -18.155 -6.216 -6.564 1.00 1.05 C ATOM 126 C SER A 12 -16.740 -6.033 -6.005 1.00 0.94 C ATOM 127 O SER A 12 -16.342 -4.934 -5.661 1.00 0.95 O ATOM 128 CB SER A 12 -18.914 -7.257 -5.734 1.00 1.27 C ATOM 129 OG SER A 12 -19.931 -6.607 -4.983 1.00 1.63 O ATOM 0 H SER A 12 -17.416 -7.442 -8.147 1.00 0.94 H new ATOM 0 HA SER A 12 -18.685 -5.265 -6.517 1.00 1.05 H new ATOM 0 HB2 SER A 12 -19.354 -8.010 -6.388 1.00 1.27 H new ATOM 0 HB3 SER A 12 -18.228 -7.777 -5.065 1.00 1.27 H new ATOM 0 HG SER A 12 -20.420 -7.270 -4.452 1.00 1.63 H new ATOM 135 N LYS A 13 -15.978 -7.102 -5.917 1.00 0.90 N ATOM 136 CA LYS A 13 -14.584 -7.000 -5.382 1.00 0.83 C ATOM 137 C LYS A 13 -13.648 -7.903 -6.197 1.00 0.80 C ATOM 138 O LYS A 13 -14.050 -8.934 -6.708 1.00 0.88 O ATOM 139 CB LYS A 13 -14.560 -7.441 -3.914 1.00 0.85 C ATOM 140 CG LYS A 13 -15.471 -6.532 -3.081 1.00 0.91 C ATOM 141 CD LYS A 13 -14.817 -6.251 -1.725 1.00 0.91 C ATOM 142 CE LYS A 13 -15.181 -7.363 -0.739 1.00 1.08 C ATOM 143 NZ LYS A 13 -14.048 -7.592 0.207 1.00 1.32 N ATOM 0 H LYS A 13 -16.265 -8.041 -6.194 1.00 0.90 H new ATOM 0 HA LYS A 13 -14.249 -5.966 -5.458 1.00 0.83 H new ATOM 0 HB2 LYS A 13 -14.891 -8.476 -3.831 1.00 0.85 H new ATOM 0 HB3 LYS A 13 -13.541 -7.400 -3.530 1.00 0.85 H new ATOM 0 HG2 LYS A 13 -15.650 -5.596 -3.610 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -16.441 -7.007 -2.936 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -13.734 -6.191 -1.838 1.00 0.91 H new ATOM 0 HD3 LYS A 13 -15.152 -5.287 -1.341 1.00 0.91 H new ATOM 0 HE2 LYS A 13 -16.080 -7.091 -0.185 1.00 1.08 H new ATOM 0 HE3 LYS A 13 -15.406 -8.282 -1.280 1.00 1.08 H new ATOM 0 HZ1 LYS A 13 -14.301 -8.348 0.875 1.00 1.32 H new ATOM 0 HZ2 LYS A 13 -13.200 -7.871 -0.327 1.00 1.32 H new ATOM 0 HZ3 LYS A 13 -13.853 -6.717 0.733 1.00 1.32 H new ATOM 157 N VAL A 14 -12.399 -7.519 -6.310 1.00 0.75 N ATOM 158 CA VAL A 14 -11.411 -8.342 -7.077 1.00 0.74 C ATOM 159 C VAL A 14 -10.421 -8.991 -6.100 1.00 0.71 C ATOM 160 O VAL A 14 -9.972 -8.369 -5.151 1.00 0.72 O ATOM 161 CB VAL A 14 -10.649 -7.454 -8.075 1.00 0.73 C ATOM 162 CG1 VAL A 14 -11.575 -7.063 -9.229 1.00 0.78 C ATOM 163 CG2 VAL A 14 -10.150 -6.185 -7.375 1.00 0.76 C ATOM 0 H VAL A 14 -12.019 -6.665 -5.901 1.00 0.75 H new ATOM 0 HA VAL A 14 -11.941 -9.119 -7.628 1.00 0.74 H new ATOM 0 HB VAL A 14 -9.796 -8.011 -8.462 1.00 0.73 H new ATOM 0 HG11 VAL A 14 -11.032 -6.434 -9.934 1.00 0.78 H new ATOM 0 HG12 VAL A 14 -11.922 -7.962 -9.738 1.00 0.78 H new ATOM 0 HG13 VAL A 14 -12.432 -6.514 -8.838 1.00 0.78 H new ATOM 0 HG21 VAL A 14 -9.612 -5.563 -8.090 1.00 0.76 H new ATOM 0 HG22 VAL A 14 -11.000 -5.630 -6.979 1.00 0.76 H new ATOM 0 HG23 VAL A 14 -9.483 -6.459 -6.558 1.00 0.76 H new ATOM 173 N THR A 15 -10.084 -10.238 -6.327 1.00 0.73 N ATOM 174 CA THR A 15 -9.126 -10.948 -5.417 1.00 0.73 C ATOM 175 C THR A 15 -7.728 -10.968 -6.046 1.00 0.66 C ATOM 176 O THR A 15 -7.580 -11.044 -7.254 1.00 0.73 O ATOM 177 CB THR A 15 -9.604 -12.389 -5.185 1.00 0.85 C ATOM 178 OG1 THR A 15 -9.899 -13.007 -6.432 1.00 0.91 O ATOM 179 CG2 THR A 15 -10.859 -12.378 -4.309 1.00 0.97 C ATOM 0 H THR A 15 -10.432 -10.798 -7.106 1.00 0.73 H new ATOM 0 HA THR A 15 -9.084 -10.422 -4.463 1.00 0.73 H new ATOM 0 HB THR A 15 -8.816 -12.951 -4.684 1.00 0.85 H new ATOM 0 HG1 THR A 15 -10.202 -13.926 -6.278 1.00 0.91 H new ATOM 0 HG21 THR A 15 -11.197 -13.401 -4.145 1.00 0.97 H new ATOM 0 HG22 THR A 15 -10.629 -11.914 -3.350 1.00 0.97 H new ATOM 0 HG23 THR A 15 -11.646 -11.811 -4.807 1.00 0.97 H new ATOM 187 N PHE A 16 -6.700 -10.902 -5.231 1.00 0.60 N ATOM 188 CA PHE A 16 -5.304 -10.917 -5.768 1.00 0.54 C ATOM 189 C PHE A 16 -4.474 -11.973 -5.031 1.00 0.53 C ATOM 190 O PHE A 16 -4.567 -12.123 -3.826 1.00 0.64 O ATOM 191 CB PHE A 16 -4.656 -9.544 -5.572 1.00 0.55 C ATOM 192 CG PHE A 16 -5.432 -8.495 -6.338 1.00 0.55 C ATOM 193 CD1 PHE A 16 -5.410 -8.492 -7.738 1.00 0.63 C ATOM 194 CD2 PHE A 16 -6.171 -7.527 -5.647 1.00 0.60 C ATOM 195 CE1 PHE A 16 -6.126 -7.521 -8.447 1.00 0.70 C ATOM 196 CE2 PHE A 16 -6.888 -6.556 -6.357 1.00 0.68 C ATOM 197 CZ PHE A 16 -6.865 -6.554 -7.757 1.00 0.70 C ATOM 0 H PHE A 16 -6.770 -10.838 -4.215 1.00 0.60 H new ATOM 0 HA PHE A 16 -5.339 -11.156 -6.831 1.00 0.54 H new ATOM 0 HB2 PHE A 16 -4.634 -9.291 -4.512 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -3.622 -9.568 -5.916 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -4.840 -9.239 -8.271 1.00 0.63 H new ATOM 0 HD2 PHE A 16 -6.188 -7.529 -4.567 1.00 0.60 H new ATOM 0 HE1 PHE A 16 -6.108 -7.518 -9.527 1.00 0.70 H new ATOM 0 HE2 PHE A 16 -7.458 -5.809 -5.825 1.00 0.68 H new ATOM 0 HZ PHE A 16 -7.418 -5.805 -8.305 1.00 0.70 H new ATOM 207 N LYS A 17 -3.656 -12.694 -5.755 1.00 0.51 N ATOM 208 CA LYS A 17 -2.795 -13.741 -5.128 1.00 0.50 C ATOM 209 C LYS A 17 -1.326 -13.337 -5.301 1.00 0.45 C ATOM 210 O LYS A 17 -0.765 -13.454 -6.376 1.00 0.50 O ATOM 211 CB LYS A 17 -3.051 -15.090 -5.808 1.00 0.59 C ATOM 212 CG LYS A 17 -2.493 -16.220 -4.935 1.00 0.64 C ATOM 213 CD LYS A 17 -1.683 -17.187 -5.804 1.00 0.80 C ATOM 214 CE LYS A 17 -0.188 -16.934 -5.596 1.00 1.04 C ATOM 215 NZ LYS A 17 0.449 -16.585 -6.901 1.00 1.12 N ATOM 0 H LYS A 17 -3.547 -12.600 -6.765 1.00 0.51 H new ATOM 0 HA LYS A 17 -3.028 -13.832 -4.067 1.00 0.50 H new ATOM 0 HB2 LYS A 17 -4.120 -15.232 -5.965 1.00 0.59 H new ATOM 0 HB3 LYS A 17 -2.579 -15.109 -6.790 1.00 0.59 H new ATOM 0 HG2 LYS A 17 -1.863 -15.807 -4.147 1.00 0.64 H new ATOM 0 HG3 LYS A 17 -3.309 -16.751 -4.445 1.00 0.64 H new ATOM 0 HD2 LYS A 17 -1.927 -18.217 -5.545 1.00 0.80 H new ATOM 0 HD3 LYS A 17 -1.942 -17.053 -6.854 1.00 0.80 H new ATOM 0 HE2 LYS A 17 -0.042 -16.124 -4.881 1.00 1.04 H new ATOM 0 HE3 LYS A 17 0.286 -17.821 -5.175 1.00 1.04 H new ATOM 0 HZ1 LYS A 17 1.465 -16.414 -6.757 1.00 1.12 H new ATOM 0 HZ2 LYS A 17 0.322 -17.371 -7.570 1.00 1.12 H new ATOM 0 HZ3 LYS A 17 0.004 -15.727 -7.286 1.00 1.12 H new ATOM 229 N ILE A 18 -0.708 -12.844 -4.255 1.00 0.43 N ATOM 230 CA ILE A 18 0.718 -12.408 -4.352 1.00 0.42 C ATOM 231 C ILE A 18 1.614 -13.353 -3.542 1.00 0.43 C ATOM 232 O ILE A 18 1.427 -13.534 -2.352 1.00 0.52 O ATOM 233 CB ILE A 18 0.853 -10.979 -3.807 1.00 0.44 C ATOM 234 CG1 ILE A 18 -0.124 -10.052 -4.543 1.00 0.47 C ATOM 235 CG2 ILE A 18 2.283 -10.479 -4.026 1.00 0.53 C ATOM 236 CD1 ILE A 18 -1.265 -9.654 -3.603 1.00 0.60 C ATOM 0 H ILE A 18 -1.133 -12.725 -3.335 1.00 0.43 H new ATOM 0 HA ILE A 18 1.029 -12.433 -5.396 1.00 0.42 H new ATOM 0 HB ILE A 18 0.624 -10.979 -2.741 1.00 0.44 H new ATOM 0 HG12 ILE A 18 0.398 -9.162 -4.894 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -0.524 -10.555 -5.424 1.00 0.47 H new ATOM 0 HG21 ILE A 18 2.377 -9.465 -3.639 1.00 0.53 H new ATOM 0 HG22 ILE A 18 2.981 -11.133 -3.504 1.00 0.53 H new ATOM 0 HG23 ILE A 18 2.511 -10.483 -5.092 1.00 0.53 H new ATOM 0 HD11 ILE A 18 -1.957 -8.996 -4.129 1.00 0.60 H new ATOM 0 HD12 ILE A 18 -1.794 -10.548 -3.274 1.00 0.60 H new ATOM 0 HD13 ILE A 18 -0.858 -9.134 -2.736 1.00 0.60 H new ATOM 248 N THR A 19 2.591 -13.946 -4.185 1.00 0.45 N ATOM 249 CA THR A 19 3.523 -14.877 -3.474 1.00 0.48 C ATOM 250 C THR A 19 4.957 -14.337 -3.582 1.00 0.49 C ATOM 251 O THR A 19 5.342 -13.774 -4.594 1.00 0.53 O ATOM 252 CB THR A 19 3.433 -16.276 -4.104 1.00 0.55 C ATOM 253 OG1 THR A 19 4.209 -17.189 -3.340 1.00 0.61 O ATOM 254 CG2 THR A 19 3.953 -16.245 -5.545 1.00 0.63 C ATOM 0 H THR A 19 2.784 -13.824 -5.179 1.00 0.45 H new ATOM 0 HA THR A 19 3.245 -14.947 -2.422 1.00 0.48 H new ATOM 0 HB THR A 19 2.390 -16.594 -4.112 1.00 0.55 H new ATOM 0 HG1 THR A 19 4.027 -18.104 -3.640 1.00 0.61 H new ATOM 0 HG21 THR A 19 3.883 -17.243 -5.979 1.00 0.63 H new ATOM 0 HG22 THR A 19 3.353 -15.551 -6.133 1.00 0.63 H new ATOM 0 HG23 THR A 19 4.993 -15.919 -5.550 1.00 0.63 H new ATOM 262 N LEU A 20 5.748 -14.496 -2.545 1.00 0.52 N ATOM 263 CA LEU A 20 7.155 -13.987 -2.579 1.00 0.56 C ATOM 264 C LEU A 20 7.970 -14.774 -3.613 1.00 0.67 C ATOM 265 O LEU A 20 8.122 -15.981 -3.513 1.00 0.83 O ATOM 266 CB LEU A 20 7.797 -14.136 -1.194 1.00 0.65 C ATOM 267 CG LEU A 20 8.269 -12.767 -0.695 1.00 0.61 C ATOM 268 CD1 LEU A 20 8.579 -12.847 0.801 1.00 0.83 C ATOM 269 CD2 LEU A 20 9.532 -12.350 -1.454 1.00 0.78 C ATOM 0 H LEU A 20 5.478 -14.957 -1.676 1.00 0.52 H new ATOM 0 HA LEU A 20 7.144 -12.933 -2.858 1.00 0.56 H new ATOM 0 HB2 LEU A 20 7.079 -14.562 -0.493 1.00 0.65 H new ATOM 0 HB3 LEU A 20 8.640 -14.826 -1.245 1.00 0.65 H new ATOM 0 HG LEU A 20 7.483 -12.031 -0.866 1.00 0.61 H new ATOM 0 HD11 LEU A 20 8.915 -11.873 1.156 1.00 0.83 H new ATOM 0 HD12 LEU A 20 7.680 -13.141 1.344 1.00 0.83 H new ATOM 0 HD13 LEU A 20 9.363 -13.585 0.971 1.00 0.83 H new ATOM 0 HD21 LEU A 20 9.866 -11.376 -1.097 1.00 0.78 H new ATOM 0 HD22 LEU A 20 10.318 -13.087 -1.286 1.00 0.78 H new ATOM 0 HD23 LEU A 20 9.313 -12.290 -2.520 1.00 0.78 H new ATOM 281 N THR A 21 8.489 -14.093 -4.609 1.00 0.67 N ATOM 282 CA THR A 21 9.297 -14.780 -5.667 1.00 0.81 C ATOM 283 C THR A 21 10.800 -14.622 -5.374 1.00 0.87 C ATOM 284 O THR A 21 11.597 -15.460 -5.753 1.00 0.99 O ATOM 285 CB THR A 21 8.959 -14.178 -7.043 1.00 0.90 C ATOM 286 OG1 THR A 21 9.612 -14.927 -8.059 1.00 1.06 O ATOM 287 CG2 THR A 21 9.415 -12.715 -7.113 1.00 0.92 C ATOM 0 H THR A 21 8.387 -13.086 -4.734 1.00 0.67 H new ATOM 0 HA THR A 21 9.054 -15.843 -5.670 1.00 0.81 H new ATOM 0 HB THR A 21 7.880 -14.217 -7.190 1.00 0.90 H new ATOM 0 HG1 THR A 21 9.397 -14.546 -8.936 1.00 1.06 H new ATOM 0 HG21 THR A 21 9.169 -12.304 -8.092 1.00 0.92 H new ATOM 0 HG22 THR A 21 8.908 -12.138 -6.339 1.00 0.92 H new ATOM 0 HG23 THR A 21 10.493 -12.662 -6.958 1.00 0.92 H new ATOM 295 N SER A 22 11.190 -13.557 -4.704 1.00 0.84 N ATOM 296 CA SER A 22 12.639 -13.347 -4.386 1.00 0.93 C ATOM 297 C SER A 22 13.112 -14.417 -3.393 1.00 0.92 C ATOM 298 O SER A 22 14.204 -14.944 -3.513 1.00 1.05 O ATOM 299 CB SER A 22 12.836 -11.958 -3.771 1.00 0.97 C ATOM 300 OG SER A 22 13.510 -11.124 -4.706 1.00 1.17 O ATOM 0 H SER A 22 10.565 -12.826 -4.365 1.00 0.84 H new ATOM 0 HA SER A 22 13.221 -13.423 -5.304 1.00 0.93 H new ATOM 0 HB2 SER A 22 11.872 -11.524 -3.507 1.00 0.97 H new ATOM 0 HB3 SER A 22 13.414 -12.034 -2.850 1.00 0.97 H new ATOM 0 HG SER A 22 13.637 -10.233 -4.318 1.00 1.17 H new ATOM 306 N ASP A 23 12.294 -14.741 -2.419 1.00 0.83 N ATOM 307 CA ASP A 23 12.675 -15.779 -1.409 1.00 0.87 C ATOM 308 C ASP A 23 12.623 -17.174 -2.051 1.00 0.89 C ATOM 309 O ASP A 23 12.072 -17.343 -3.124 1.00 0.89 O ATOM 310 CB ASP A 23 11.688 -15.722 -0.237 1.00 0.83 C ATOM 311 CG ASP A 23 12.181 -14.713 0.806 1.00 0.98 C ATOM 312 OD1 ASP A 23 11.893 -13.538 0.647 1.00 1.00 O ATOM 313 OD2 ASP A 23 12.834 -15.134 1.746 1.00 1.20 O ATOM 0 H ASP A 23 11.372 -14.327 -2.280 1.00 0.83 H new ATOM 0 HA ASP A 23 13.687 -15.586 -1.053 1.00 0.87 H new ATOM 0 HB2 ASP A 23 10.699 -15.435 -0.595 1.00 0.83 H new ATOM 0 HB3 ASP A 23 11.589 -16.709 0.216 1.00 0.83 H new ATOM 318 N PRO A 24 13.195 -18.141 -1.365 1.00 0.97 N ATOM 319 CA PRO A 24 13.226 -19.542 -1.839 1.00 1.05 C ATOM 320 C PRO A 24 11.847 -20.199 -1.668 1.00 0.96 C ATOM 321 O PRO A 24 11.490 -21.103 -2.400 1.00 1.04 O ATOM 322 CB PRO A 24 14.282 -20.202 -0.947 1.00 1.20 C ATOM 323 CG PRO A 24 14.393 -19.328 0.322 1.00 1.19 C ATOM 324 CD PRO A 24 13.856 -17.934 -0.055 1.00 1.08 C ATOM 0 HA PRO A 24 13.465 -19.635 -2.898 1.00 1.05 H new ATOM 0 HB2 PRO A 24 13.992 -21.221 -0.692 1.00 1.20 H new ATOM 0 HB3 PRO A 24 15.241 -20.263 -1.461 1.00 1.20 H new ATOM 0 HG2 PRO A 24 13.815 -19.758 1.140 1.00 1.19 H new ATOM 0 HG3 PRO A 24 15.427 -19.266 0.661 1.00 1.19 H new ATOM 0 HD2 PRO A 24 13.154 -17.563 0.691 1.00 1.08 H new ATOM 0 HD3 PRO A 24 14.661 -17.203 -0.126 1.00 1.08 H new ATOM 332 N LYS A 25 11.073 -19.741 -0.712 1.00 0.89 N ATOM 333 CA LYS A 25 9.712 -20.319 -0.491 1.00 0.88 C ATOM 334 C LYS A 25 8.695 -19.609 -1.393 1.00 0.80 C ATOM 335 O LYS A 25 9.049 -18.784 -2.220 1.00 0.86 O ATOM 336 CB LYS A 25 9.308 -20.117 0.967 1.00 0.99 C ATOM 337 CG LYS A 25 9.617 -21.381 1.774 1.00 1.32 C ATOM 338 CD LYS A 25 9.039 -21.246 3.188 1.00 1.98 C ATOM 339 CE LYS A 25 9.094 -19.779 3.639 1.00 3.18 C ATOM 340 NZ LYS A 25 9.306 -19.702 5.110 1.00 4.06 N ATOM 0 H LYS A 25 11.329 -18.988 -0.073 1.00 0.89 H new ATOM 0 HA LYS A 25 9.731 -21.383 -0.728 1.00 0.88 H new ATOM 0 HB2 LYS A 25 9.845 -19.266 1.387 1.00 0.99 H new ATOM 0 HB3 LYS A 25 8.245 -19.886 1.030 1.00 0.99 H new ATOM 0 HG2 LYS A 25 9.191 -22.254 1.279 1.00 1.32 H new ATOM 0 HG3 LYS A 25 10.695 -21.537 1.825 1.00 1.32 H new ATOM 0 HD2 LYS A 25 8.009 -21.602 3.204 1.00 1.98 H new ATOM 0 HD3 LYS A 25 9.603 -21.870 3.882 1.00 1.98 H new ATOM 0 HE2 LYS A 25 9.901 -19.261 3.120 1.00 3.18 H new ATOM 0 HE3 LYS A 25 8.166 -19.273 3.371 1.00 3.18 H new ATOM 0 HZ1 LYS A 25 9.342 -18.705 5.404 1.00 4.06 H new ATOM 0 HZ2 LYS A 25 8.522 -20.179 5.599 1.00 4.06 H new ATOM 0 HZ3 LYS A 25 10.203 -20.168 5.356 1.00 4.06 H new ATOM 354 N LEU A 26 7.431 -19.920 -1.227 1.00 0.75 N ATOM 355 CA LEU A 26 6.374 -19.269 -2.051 1.00 0.70 C ATOM 356 C LEU A 26 5.102 -19.098 -1.200 1.00 0.65 C ATOM 357 O LEU A 26 4.110 -19.774 -1.420 1.00 0.70 O ATOM 358 CB LEU A 26 6.080 -20.145 -3.276 1.00 0.80 C ATOM 359 CG LEU A 26 6.957 -19.695 -4.449 1.00 0.89 C ATOM 360 CD1 LEU A 26 7.873 -20.845 -4.872 1.00 1.48 C ATOM 361 CD2 LEU A 26 6.066 -19.294 -5.628 1.00 1.05 C ATOM 0 H LEU A 26 7.088 -20.602 -0.550 1.00 0.75 H new ATOM 0 HA LEU A 26 6.711 -18.288 -2.387 1.00 0.70 H new ATOM 0 HB2 LEU A 26 6.275 -21.192 -3.043 1.00 0.80 H new ATOM 0 HB3 LEU A 26 5.027 -20.070 -3.546 1.00 0.80 H new ATOM 0 HG LEU A 26 7.562 -18.842 -4.143 1.00 0.89 H new ATOM 0 HD11 LEU A 26 8.497 -20.525 -5.707 1.00 1.48 H new ATOM 0 HD12 LEU A 26 8.508 -21.132 -4.034 1.00 1.48 H new ATOM 0 HD13 LEU A 26 7.268 -21.699 -5.178 1.00 1.48 H new ATOM 0 HD21 LEU A 26 6.689 -18.974 -6.463 1.00 1.05 H new ATOM 0 HD22 LEU A 26 5.461 -20.148 -5.934 1.00 1.05 H new ATOM 0 HD23 LEU A 26 5.413 -18.475 -5.328 1.00 1.05 H new ATOM 373 N PRO A 27 5.171 -18.190 -0.245 1.00 0.60 N ATOM 374 CA PRO A 27 4.041 -17.898 0.658 1.00 0.61 C ATOM 375 C PRO A 27 3.000 -17.035 -0.068 1.00 0.56 C ATOM 376 O PRO A 27 3.124 -15.824 -0.149 1.00 0.64 O ATOM 377 CB PRO A 27 4.696 -17.142 1.822 1.00 0.66 C ATOM 378 CG PRO A 27 6.020 -16.558 1.275 1.00 0.66 C ATOM 379 CD PRO A 27 6.379 -17.376 0.019 1.00 0.63 C ATOM 0 HA PRO A 27 3.508 -18.786 0.997 1.00 0.61 H new ATOM 0 HB2 PRO A 27 4.043 -16.349 2.186 1.00 0.66 H new ATOM 0 HB3 PRO A 27 4.884 -17.811 2.662 1.00 0.66 H new ATOM 0 HG2 PRO A 27 5.905 -15.502 1.030 1.00 0.66 H new ATOM 0 HG3 PRO A 27 6.811 -16.627 2.021 1.00 0.66 H new ATOM 0 HD2 PRO A 27 6.614 -16.727 -0.825 1.00 0.63 H new ATOM 0 HD3 PRO A 27 7.253 -18.005 0.190 1.00 0.63 H new ATOM 387 N PHE A 28 1.982 -17.662 -0.614 1.00 0.56 N ATOM 388 CA PHE A 28 0.927 -16.906 -1.359 1.00 0.56 C ATOM 389 C PHE A 28 0.088 -16.057 -0.394 1.00 0.51 C ATOM 390 O PHE A 28 -0.055 -16.373 0.773 1.00 0.55 O ATOM 391 CB PHE A 28 0.020 -17.887 -2.122 1.00 0.67 C ATOM 392 CG PHE A 28 -0.807 -18.716 -1.159 1.00 0.75 C ATOM 393 CD1 PHE A 28 -2.064 -18.259 -0.740 1.00 0.81 C ATOM 394 CD2 PHE A 28 -0.322 -19.946 -0.692 1.00 0.87 C ATOM 395 CE1 PHE A 28 -2.832 -19.027 0.142 1.00 0.95 C ATOM 396 CE2 PHE A 28 -1.090 -20.713 0.192 1.00 1.01 C ATOM 397 CZ PHE A 28 -2.344 -20.255 0.609 1.00 1.04 C ATOM 0 H PHE A 28 1.838 -18.671 -0.574 1.00 0.56 H new ATOM 0 HA PHE A 28 1.414 -16.240 -2.071 1.00 0.56 H new ATOM 0 HB2 PHE A 28 -0.639 -17.334 -2.792 1.00 0.67 H new ATOM 0 HB3 PHE A 28 0.629 -18.543 -2.744 1.00 0.67 H new ATOM 0 HD1 PHE A 28 -2.440 -17.312 -1.099 1.00 0.81 H new ATOM 0 HD2 PHE A 28 0.645 -20.302 -1.015 1.00 0.87 H new ATOM 0 HE1 PHE A 28 -3.801 -18.674 0.463 1.00 0.95 H new ATOM 0 HE2 PHE A 28 -0.714 -21.659 0.552 1.00 1.01 H new ATOM 0 HZ PHE A 28 -2.936 -20.847 1.291 1.00 1.04 H new ATOM 407 N LYS A 29 -0.465 -14.976 -0.891 1.00 0.48 N ATOM 408 CA LYS A 29 -1.304 -14.079 -0.042 1.00 0.46 C ATOM 409 C LYS A 29 -2.566 -13.690 -0.820 1.00 0.45 C ATOM 410 O LYS A 29 -2.486 -13.170 -1.920 1.00 0.51 O ATOM 411 CB LYS A 29 -0.504 -12.817 0.307 1.00 0.51 C ATOM 412 CG LYS A 29 -0.233 -12.774 1.814 1.00 0.69 C ATOM 413 CD LYS A 29 -0.902 -11.537 2.418 1.00 0.88 C ATOM 414 CE LYS A 29 -2.261 -11.923 3.007 1.00 0.87 C ATOM 415 NZ LYS A 29 -3.308 -10.989 2.499 1.00 1.18 N ATOM 0 H LYS A 29 -0.368 -14.676 -1.861 1.00 0.48 H new ATOM 0 HA LYS A 29 -1.585 -14.594 0.877 1.00 0.46 H new ATOM 0 HB2 LYS A 29 0.438 -12.809 -0.241 1.00 0.51 H new ATOM 0 HB3 LYS A 29 -1.057 -11.929 0.002 1.00 0.51 H new ATOM 0 HG2 LYS A 29 -0.617 -13.677 2.289 1.00 0.69 H new ATOM 0 HG3 LYS A 29 0.841 -12.748 2.001 1.00 0.69 H new ATOM 0 HD2 LYS A 29 -0.266 -11.110 3.194 1.00 0.88 H new ATOM 0 HD3 LYS A 29 -1.030 -10.771 1.653 1.00 0.88 H new ATOM 0 HE2 LYS A 29 -2.510 -12.948 2.733 1.00 0.87 H new ATOM 0 HE3 LYS A 29 -2.222 -11.884 4.096 1.00 0.87 H new ATOM 0 HZ1 LYS A 29 -4.249 -11.397 2.669 1.00 1.18 H new ATOM 0 HZ2 LYS A 29 -3.231 -10.078 2.995 1.00 1.18 H new ATOM 0 HZ3 LYS A 29 -3.175 -10.840 1.478 1.00 1.18 H new ATOM 429 N VAL A 30 -3.726 -13.942 -0.262 1.00 0.45 N ATOM 430 CA VAL A 30 -4.997 -13.594 -0.970 1.00 0.49 C ATOM 431 C VAL A 30 -5.532 -12.260 -0.435 1.00 0.49 C ATOM 432 O VAL A 30 -5.831 -12.126 0.740 1.00 0.57 O ATOM 433 CB VAL A 30 -6.035 -14.703 -0.742 1.00 0.56 C ATOM 434 CG1 VAL A 30 -7.306 -14.392 -1.540 1.00 0.68 C ATOM 435 CG2 VAL A 30 -5.461 -16.046 -1.208 1.00 0.65 C ATOM 0 H VAL A 30 -3.847 -14.374 0.654 1.00 0.45 H new ATOM 0 HA VAL A 30 -4.804 -13.501 -2.039 1.00 0.49 H new ATOM 0 HB VAL A 30 -6.276 -14.756 0.320 1.00 0.56 H new ATOM 0 HG11 VAL A 30 -8.041 -15.181 -1.376 1.00 0.68 H new ATOM 0 HG12 VAL A 30 -7.718 -13.438 -1.211 1.00 0.68 H new ATOM 0 HG13 VAL A 30 -7.065 -14.336 -2.601 1.00 0.68 H new ATOM 0 HG21 VAL A 30 -6.198 -16.833 -1.046 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -5.218 -15.989 -2.269 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -4.558 -16.272 -0.641 1.00 0.65 H new ATOM 445 N LEU A 31 -5.651 -11.275 -1.294 1.00 0.51 N ATOM 446 CA LEU A 31 -6.162 -9.940 -0.860 1.00 0.53 C ATOM 447 C LEU A 31 -7.489 -9.644 -1.570 1.00 0.57 C ATOM 448 O LEU A 31 -7.534 -9.476 -2.778 1.00 0.61 O ATOM 449 CB LEU A 31 -5.133 -8.860 -1.216 1.00 0.58 C ATOM 450 CG LEU A 31 -4.569 -8.244 0.068 1.00 0.73 C ATOM 451 CD1 LEU A 31 -3.052 -8.086 -0.064 1.00 0.86 C ATOM 452 CD2 LEU A 31 -5.206 -6.869 0.297 1.00 1.06 C ATOM 0 H LEU A 31 -5.414 -11.342 -2.284 1.00 0.51 H new ATOM 0 HA LEU A 31 -6.324 -9.944 0.218 1.00 0.53 H new ATOM 0 HB2 LEU A 31 -4.327 -9.293 -1.808 1.00 0.58 H new ATOM 0 HB3 LEU A 31 -5.599 -8.087 -1.828 1.00 0.58 H new ATOM 0 HG LEU A 31 -4.795 -8.896 0.912 1.00 0.73 H new ATOM 0 HD11 LEU A 31 -2.651 -7.648 0.850 1.00 0.86 H new ATOM 0 HD12 LEU A 31 -2.597 -9.063 -0.228 1.00 0.86 H new ATOM 0 HD13 LEU A 31 -2.826 -7.435 -0.908 1.00 0.86 H new ATOM 0 HD21 LEU A 31 -4.805 -6.430 1.211 1.00 1.06 H new ATOM 0 HD22 LEU A 31 -4.980 -6.218 -0.548 1.00 1.06 H new ATOM 0 HD23 LEU A 31 -6.286 -6.980 0.391 1.00 1.06 H new ATOM 464 N SER A 32 -8.569 -9.582 -0.825 1.00 0.61 N ATOM 465 CA SER A 32 -9.902 -9.301 -1.441 1.00 0.66 C ATOM 466 C SER A 32 -10.282 -7.836 -1.192 1.00 0.66 C ATOM 467 O SER A 32 -10.554 -7.434 -0.075 1.00 0.73 O ATOM 468 CB SER A 32 -10.959 -10.222 -0.822 1.00 0.76 C ATOM 469 OG SER A 32 -12.059 -10.341 -1.716 1.00 0.87 O ATOM 0 H SER A 32 -8.582 -9.715 0.186 1.00 0.61 H new ATOM 0 HA SER A 32 -9.852 -9.483 -2.514 1.00 0.66 H new ATOM 0 HB2 SER A 32 -10.530 -11.204 -0.622 1.00 0.76 H new ATOM 0 HB3 SER A 32 -11.294 -9.819 0.134 1.00 0.76 H new ATOM 0 HG SER A 32 -12.737 -10.931 -1.324 1.00 0.87 H new ATOM 475 N VAL A 33 -10.301 -7.042 -2.236 1.00 0.62 N ATOM 476 CA VAL A 33 -10.663 -5.595 -2.092 1.00 0.64 C ATOM 477 C VAL A 33 -11.600 -5.189 -3.238 1.00 0.66 C ATOM 478 O VAL A 33 -11.619 -5.830 -4.272 1.00 0.67 O ATOM 479 CB VAL A 33 -9.393 -4.731 -2.141 1.00 0.63 C ATOM 480 CG1 VAL A 33 -8.540 -4.990 -0.896 1.00 0.67 C ATOM 481 CG2 VAL A 33 -8.581 -5.072 -3.396 1.00 0.63 C ATOM 0 H VAL A 33 -10.080 -7.336 -3.187 1.00 0.62 H new ATOM 0 HA VAL A 33 -11.163 -5.443 -1.136 1.00 0.64 H new ATOM 0 HB VAL A 33 -9.680 -3.680 -2.170 1.00 0.63 H new ATOM 0 HG11 VAL A 33 -7.641 -4.375 -0.936 1.00 0.67 H new ATOM 0 HG12 VAL A 33 -9.113 -4.738 -0.004 1.00 0.67 H new ATOM 0 HG13 VAL A 33 -8.258 -6.042 -0.861 1.00 0.67 H new ATOM 0 HG21 VAL A 33 -7.682 -4.457 -3.426 1.00 0.63 H new ATOM 0 HG22 VAL A 33 -8.300 -6.125 -3.372 1.00 0.63 H new ATOM 0 HG23 VAL A 33 -9.183 -4.877 -4.283 1.00 0.63 H new ATOM 491 N PRO A 34 -12.345 -4.127 -3.026 1.00 0.69 N ATOM 492 CA PRO A 34 -13.289 -3.607 -4.036 1.00 0.72 C ATOM 493 C PRO A 34 -12.533 -2.896 -5.169 1.00 0.70 C ATOM 494 O PRO A 34 -11.392 -2.493 -5.011 1.00 0.69 O ATOM 495 CB PRO A 34 -14.161 -2.627 -3.244 1.00 0.77 C ATOM 496 CG PRO A 34 -13.342 -2.222 -1.997 1.00 0.77 C ATOM 497 CD PRO A 34 -12.309 -3.344 -1.772 1.00 0.72 C ATOM 0 HA PRO A 34 -13.875 -4.389 -4.519 1.00 0.72 H new ATOM 0 HB2 PRO A 34 -14.408 -1.753 -3.847 1.00 0.77 H new ATOM 0 HB3 PRO A 34 -15.104 -3.092 -2.955 1.00 0.77 H new ATOM 0 HG2 PRO A 34 -12.847 -1.263 -2.152 1.00 0.77 H new ATOM 0 HG3 PRO A 34 -13.989 -2.109 -1.127 1.00 0.77 H new ATOM 0 HD2 PRO A 34 -11.315 -2.938 -1.584 1.00 0.72 H new ATOM 0 HD3 PRO A 34 -12.570 -3.959 -0.911 1.00 0.72 H new ATOM 505 N GLU A 35 -13.166 -2.748 -6.309 1.00 0.74 N ATOM 506 CA GLU A 35 -12.504 -2.073 -7.472 1.00 0.75 C ATOM 507 C GLU A 35 -12.103 -0.638 -7.090 1.00 0.76 C ATOM 508 O GLU A 35 -11.124 -0.113 -7.590 1.00 0.78 O ATOM 509 CB GLU A 35 -13.473 -2.037 -8.659 1.00 0.83 C ATOM 510 CG GLU A 35 -13.444 -3.385 -9.390 1.00 0.83 C ATOM 511 CD GLU A 35 -14.441 -4.353 -8.738 1.00 0.87 C ATOM 512 OE1 GLU A 35 -15.604 -4.315 -9.103 1.00 1.02 O ATOM 513 OE2 GLU A 35 -14.020 -5.119 -7.884 1.00 0.87 O ATOM 0 H GLU A 35 -14.119 -3.068 -6.485 1.00 0.74 H new ATOM 0 HA GLU A 35 -11.609 -2.630 -7.747 1.00 0.75 H new ATOM 0 HB2 GLU A 35 -14.483 -1.823 -8.310 1.00 0.83 H new ATOM 0 HB3 GLU A 35 -13.196 -1.235 -9.343 1.00 0.83 H new ATOM 0 HG2 GLU A 35 -13.695 -3.244 -10.441 1.00 0.83 H new ATOM 0 HG3 GLU A 35 -12.439 -3.806 -9.356 1.00 0.83 H new ATOM 520 N SER A 36 -12.848 -0.010 -6.205 1.00 0.80 N ATOM 521 CA SER A 36 -12.514 1.385 -5.777 1.00 0.84 C ATOM 522 C SER A 36 -11.135 1.408 -5.102 1.00 0.77 C ATOM 523 O SER A 36 -10.365 2.331 -5.289 1.00 0.80 O ATOM 524 CB SER A 36 -13.572 1.885 -4.788 1.00 0.90 C ATOM 525 OG SER A 36 -14.151 3.084 -5.283 1.00 1.36 O ATOM 0 H SER A 36 -13.675 -0.408 -5.761 1.00 0.80 H new ATOM 0 HA SER A 36 -12.497 2.033 -6.653 1.00 0.84 H new ATOM 0 HB2 SER A 36 -14.342 1.127 -4.648 1.00 0.90 H new ATOM 0 HB3 SER A 36 -13.119 2.063 -3.813 1.00 0.90 H new ATOM 0 HG SER A 36 -14.829 3.404 -4.652 1.00 1.36 H new ATOM 531 N THR A 37 -10.822 0.394 -4.322 1.00 0.70 N ATOM 532 CA THR A 37 -9.492 0.344 -3.635 1.00 0.65 C ATOM 533 C THR A 37 -8.375 0.274 -4.691 1.00 0.63 C ATOM 534 O THR A 37 -8.385 -0.600 -5.537 1.00 0.64 O ATOM 535 CB THR A 37 -9.430 -0.896 -2.729 1.00 0.63 C ATOM 536 OG1 THR A 37 -10.440 -0.806 -1.731 1.00 0.71 O ATOM 537 CG2 THR A 37 -8.055 -0.985 -2.056 1.00 0.64 C ATOM 0 H THR A 37 -11.433 -0.400 -4.134 1.00 0.70 H new ATOM 0 HA THR A 37 -9.359 1.239 -3.028 1.00 0.65 H new ATOM 0 HB THR A 37 -9.591 -1.788 -3.334 1.00 0.63 H new ATOM 0 HG1 THR A 37 -10.136 -1.257 -0.916 1.00 0.71 H new ATOM 0 HG21 THR A 37 -8.020 -1.866 -1.416 1.00 0.64 H new ATOM 0 HG22 THR A 37 -7.280 -1.060 -2.819 1.00 0.64 H new ATOM 0 HG23 THR A 37 -7.886 -0.092 -1.454 1.00 0.64 H new ATOM 545 N PRO A 38 -7.449 1.205 -4.611 1.00 0.62 N ATOM 546 CA PRO A 38 -6.313 1.285 -5.551 1.00 0.63 C ATOM 547 C PRO A 38 -5.228 0.253 -5.200 1.00 0.56 C ATOM 548 O PRO A 38 -5.204 -0.298 -4.108 1.00 0.53 O ATOM 549 CB PRO A 38 -5.788 2.710 -5.358 1.00 0.68 C ATOM 550 CG PRO A 38 -6.259 3.164 -3.955 1.00 0.69 C ATOM 551 CD PRO A 38 -7.448 2.264 -3.577 1.00 0.65 C ATOM 0 HA PRO A 38 -6.603 1.071 -6.580 1.00 0.63 H new ATOM 0 HB2 PRO A 38 -4.701 2.736 -5.430 1.00 0.68 H new ATOM 0 HB3 PRO A 38 -6.175 3.374 -6.131 1.00 0.68 H new ATOM 0 HG2 PRO A 38 -5.454 3.068 -3.226 1.00 0.69 H new ATOM 0 HG3 PRO A 38 -6.555 4.213 -3.967 1.00 0.69 H new ATOM 0 HD2 PRO A 38 -7.327 1.844 -2.578 1.00 0.65 H new ATOM 0 HD3 PRO A 38 -8.385 2.821 -3.578 1.00 0.65 H new ATOM 559 N PHE A 39 -4.323 0.002 -6.119 1.00 0.57 N ATOM 560 CA PHE A 39 -3.225 -0.977 -5.857 1.00 0.52 C ATOM 561 C PHE A 39 -2.309 -0.446 -4.742 1.00 0.50 C ATOM 562 O PHE A 39 -1.577 -1.203 -4.134 1.00 0.48 O ATOM 563 CB PHE A 39 -2.412 -1.205 -7.138 1.00 0.52 C ATOM 564 CG PHE A 39 -1.825 -2.600 -7.123 1.00 0.47 C ATOM 565 CD1 PHE A 39 -2.669 -3.715 -7.040 1.00 0.48 C ATOM 566 CD2 PHE A 39 -0.437 -2.777 -7.190 1.00 0.57 C ATOM 567 CE1 PHE A 39 -2.125 -5.006 -7.025 1.00 0.48 C ATOM 568 CE2 PHE A 39 0.105 -4.067 -7.174 1.00 0.59 C ATOM 569 CZ PHE A 39 -0.738 -5.182 -7.092 1.00 0.51 C ATOM 0 H PHE A 39 -4.300 0.436 -7.042 1.00 0.57 H new ATOM 0 HA PHE A 39 -3.660 -1.925 -5.540 1.00 0.52 H new ATOM 0 HB2 PHE A 39 -3.049 -1.077 -8.013 1.00 0.52 H new ATOM 0 HB3 PHE A 39 -1.615 -0.465 -7.212 1.00 0.52 H new ATOM 0 HD1 PHE A 39 -3.739 -3.579 -6.988 1.00 0.48 H new ATOM 0 HD2 PHE A 39 0.215 -1.918 -7.254 1.00 0.57 H new ATOM 0 HE1 PHE A 39 -2.776 -5.865 -6.962 1.00 0.48 H new ATOM 0 HE2 PHE A 39 1.175 -4.203 -7.225 1.00 0.59 H new ATOM 0 HZ PHE A 39 -0.318 -6.177 -7.080 1.00 0.51 H new ATOM 579 N THR A 40 -2.357 0.840 -4.456 1.00 0.53 N ATOM 580 CA THR A 40 -1.506 1.406 -3.358 1.00 0.53 C ATOM 581 C THR A 40 -1.884 0.716 -2.045 1.00 0.48 C ATOM 582 O THR A 40 -1.030 0.278 -1.297 1.00 0.48 O ATOM 583 CB THR A 40 -1.747 2.920 -3.216 1.00 0.59 C ATOM 584 OG1 THR A 40 -3.053 3.254 -3.675 1.00 0.94 O ATOM 585 CG2 THR A 40 -0.709 3.686 -4.033 1.00 1.17 C ATOM 0 H THR A 40 -2.948 1.518 -4.936 1.00 0.53 H new ATOM 0 HA THR A 40 -0.455 1.238 -3.594 1.00 0.53 H new ATOM 0 HB THR A 40 -1.658 3.194 -2.165 1.00 0.59 H new ATOM 0 HG1 THR A 40 -3.197 4.219 -3.579 1.00 0.94 H new ATOM 0 HG21 THR A 40 -0.883 4.757 -3.930 1.00 1.17 H new ATOM 0 HG22 THR A 40 0.290 3.444 -3.670 1.00 1.17 H new ATOM 0 HG23 THR A 40 -0.792 3.404 -5.083 1.00 1.17 H new ATOM 593 N ALA A 41 -3.166 0.610 -1.773 1.00 0.49 N ATOM 594 CA ALA A 41 -3.632 -0.058 -0.522 1.00 0.47 C ATOM 595 C ALA A 41 -3.439 -1.576 -0.647 1.00 0.42 C ATOM 596 O ALA A 41 -3.078 -2.236 0.310 1.00 0.41 O ATOM 597 CB ALA A 41 -5.114 0.254 -0.295 1.00 0.52 C ATOM 0 H ALA A 41 -3.912 0.962 -2.373 1.00 0.49 H new ATOM 0 HA ALA A 41 -3.051 0.312 0.323 1.00 0.47 H new ATOM 0 HB1 ALA A 41 -5.453 -0.234 0.619 1.00 0.52 H new ATOM 0 HB2 ALA A 41 -5.249 1.332 -0.202 1.00 0.52 H new ATOM 0 HB3 ALA A 41 -5.697 -0.113 -1.140 1.00 0.52 H new ATOM 603 N VAL A 42 -3.669 -2.130 -1.822 1.00 0.42 N ATOM 604 CA VAL A 42 -3.488 -3.606 -2.011 1.00 0.40 C ATOM 605 C VAL A 42 -2.020 -3.969 -1.740 1.00 0.37 C ATOM 606 O VAL A 42 -1.727 -4.816 -0.916 1.00 0.39 O ATOM 607 CB VAL A 42 -3.862 -3.997 -3.449 1.00 0.44 C ATOM 608 CG1 VAL A 42 -3.662 -5.504 -3.643 1.00 0.50 C ATOM 609 CG2 VAL A 42 -5.330 -3.641 -3.712 1.00 0.53 C ATOM 0 H VAL A 42 -3.973 -1.622 -2.653 1.00 0.42 H new ATOM 0 HA VAL A 42 -4.134 -4.146 -1.319 1.00 0.40 H new ATOM 0 HB VAL A 42 -3.224 -3.454 -4.146 1.00 0.44 H new ATOM 0 HG11 VAL A 42 -3.928 -5.778 -4.664 1.00 0.50 H new ATOM 0 HG12 VAL A 42 -2.618 -5.759 -3.459 1.00 0.50 H new ATOM 0 HG13 VAL A 42 -4.297 -6.048 -2.944 1.00 0.50 H new ATOM 0 HG21 VAL A 42 -5.595 -3.919 -4.732 1.00 0.53 H new ATOM 0 HG22 VAL A 42 -5.967 -4.182 -3.012 1.00 0.53 H new ATOM 0 HG23 VAL A 42 -5.474 -2.569 -3.579 1.00 0.53 H new ATOM 619 N LEU A 43 -1.103 -3.312 -2.416 1.00 0.38 N ATOM 620 CA LEU A 43 0.354 -3.583 -2.201 1.00 0.38 C ATOM 621 C LEU A 43 0.713 -3.270 -0.743 1.00 0.37 C ATOM 622 O LEU A 43 1.542 -3.930 -0.145 1.00 0.41 O ATOM 623 CB LEU A 43 1.179 -2.693 -3.139 1.00 0.42 C ATOM 624 CG LEU A 43 2.616 -3.221 -3.229 1.00 0.46 C ATOM 625 CD1 LEU A 43 3.075 -3.216 -4.689 1.00 0.56 C ATOM 626 CD2 LEU A 43 3.544 -2.323 -2.403 1.00 0.60 C ATOM 0 H LEU A 43 -1.306 -2.595 -3.112 1.00 0.38 H new ATOM 0 HA LEU A 43 0.572 -4.630 -2.413 1.00 0.38 H new ATOM 0 HB2 LEU A 43 0.726 -2.676 -4.130 1.00 0.42 H new ATOM 0 HB3 LEU A 43 1.182 -1.667 -2.772 1.00 0.42 H new ATOM 0 HG LEU A 43 2.651 -4.239 -2.840 1.00 0.46 H new ATOM 0 HD11 LEU A 43 4.096 -3.592 -4.751 1.00 0.56 H new ATOM 0 HD12 LEU A 43 2.417 -3.854 -5.279 1.00 0.56 H new ATOM 0 HD13 LEU A 43 3.038 -2.199 -5.078 1.00 0.56 H new ATOM 0 HD21 LEU A 43 4.565 -2.698 -2.467 1.00 0.60 H new ATOM 0 HD22 LEU A 43 3.506 -1.305 -2.792 1.00 0.60 H new ATOM 0 HD23 LEU A 43 3.221 -2.326 -1.362 1.00 0.60 H new ATOM 638 N LYS A 44 0.082 -2.269 -0.171 1.00 0.40 N ATOM 639 CA LYS A 44 0.356 -1.896 1.249 1.00 0.41 C ATOM 640 C LYS A 44 0.020 -3.077 2.168 1.00 0.34 C ATOM 641 O LYS A 44 0.831 -3.499 2.970 1.00 0.38 O ATOM 642 CB LYS A 44 -0.522 -0.702 1.628 1.00 0.48 C ATOM 643 CG LYS A 44 0.356 0.494 1.971 1.00 0.97 C ATOM 644 CD LYS A 44 -0.075 1.060 3.324 1.00 1.83 C ATOM 645 CE LYS A 44 0.984 2.039 3.829 1.00 2.67 C ATOM 646 NZ LYS A 44 2.190 1.284 4.286 1.00 3.67 N ATOM 0 H LYS A 44 -0.618 -1.691 -0.636 1.00 0.40 H new ATOM 0 HA LYS A 44 1.409 -1.638 1.361 1.00 0.41 H new ATOM 0 HB2 LYS A 44 -1.188 -0.451 0.802 1.00 0.48 H new ATOM 0 HB3 LYS A 44 -1.153 -0.958 2.479 1.00 0.48 H new ATOM 0 HG2 LYS A 44 1.403 0.194 2.005 1.00 0.97 H new ATOM 0 HG3 LYS A 44 0.269 1.258 1.199 1.00 0.97 H new ATOM 0 HD2 LYS A 44 -1.036 1.565 3.229 1.00 1.83 H new ATOM 0 HD3 LYS A 44 -0.209 0.251 4.042 1.00 1.83 H new ATOM 0 HE2 LYS A 44 1.258 2.735 3.036 1.00 2.67 H new ATOM 0 HE3 LYS A 44 0.582 2.633 4.650 1.00 2.67 H new ATOM 0 HZ1 LYS A 44 2.744 1.876 4.937 1.00 3.67 H new ATOM 0 HZ2 LYS A 44 1.891 0.417 4.776 1.00 3.67 H new ATOM 0 HZ3 LYS A 44 2.775 1.033 3.463 1.00 3.67 H new ATOM 660 N PHE A 45 -1.180 -3.600 2.054 1.00 0.33 N ATOM 661 CA PHE A 45 -1.604 -4.749 2.914 1.00 0.34 C ATOM 662 C PHE A 45 -0.740 -5.981 2.617 1.00 0.30 C ATOM 663 O PHE A 45 -0.304 -6.667 3.523 1.00 0.35 O ATOM 664 CB PHE A 45 -3.075 -5.075 2.635 1.00 0.45 C ATOM 665 CG PHE A 45 -3.807 -5.270 3.942 1.00 0.76 C ATOM 666 CD1 PHE A 45 -3.985 -4.189 4.813 1.00 1.18 C ATOM 667 CD2 PHE A 45 -4.304 -6.532 4.283 1.00 1.09 C ATOM 668 CE1 PHE A 45 -4.662 -4.371 6.025 1.00 1.61 C ATOM 669 CE2 PHE A 45 -4.980 -6.715 5.495 1.00 1.49 C ATOM 670 CZ PHE A 45 -5.159 -5.634 6.367 1.00 1.67 C ATOM 0 H PHE A 45 -1.888 -3.276 1.396 1.00 0.33 H new ATOM 0 HA PHE A 45 -1.479 -4.475 3.962 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -3.535 -4.268 2.066 1.00 0.45 H new ATOM 0 HB3 PHE A 45 -3.149 -5.977 2.027 1.00 0.45 H new ATOM 0 HD1 PHE A 45 -3.600 -3.215 4.550 1.00 1.18 H new ATOM 0 HD2 PHE A 45 -4.166 -7.366 3.611 1.00 1.09 H new ATOM 0 HE1 PHE A 45 -4.801 -3.536 6.696 1.00 1.61 H new ATOM 0 HE2 PHE A 45 -5.364 -7.690 5.758 1.00 1.49 H new ATOM 0 HZ PHE A 45 -5.680 -5.775 7.302 1.00 1.67 H new ATOM 680 N ALA A 46 -0.491 -6.262 1.356 1.00 0.33 N ATOM 681 CA ALA A 46 0.347 -7.449 0.993 1.00 0.39 C ATOM 682 C ALA A 46 1.744 -7.303 1.609 1.00 0.35 C ATOM 683 O ALA A 46 2.246 -8.215 2.237 1.00 0.40 O ATOM 684 CB ALA A 46 0.464 -7.548 -0.531 1.00 0.51 C ATOM 0 H ALA A 46 -0.833 -5.718 0.564 1.00 0.33 H new ATOM 0 HA ALA A 46 -0.123 -8.354 1.379 1.00 0.39 H new ATOM 0 HB1 ALA A 46 1.074 -8.412 -0.794 1.00 0.51 H new ATOM 0 HB2 ALA A 46 -0.529 -7.659 -0.966 1.00 0.51 H new ATOM 0 HB3 ALA A 46 0.931 -6.643 -0.920 1.00 0.51 H new ATOM 690 N ALA A 47 2.367 -6.157 1.436 1.00 0.36 N ATOM 691 CA ALA A 47 3.732 -5.933 2.010 1.00 0.39 C ATOM 692 C ALA A 47 3.677 -6.027 3.542 1.00 0.38 C ATOM 693 O ALA A 47 4.582 -6.550 4.166 1.00 0.46 O ATOM 694 CB ALA A 47 4.236 -4.545 1.603 1.00 0.46 C ATOM 0 H ALA A 47 1.984 -5.365 0.919 1.00 0.36 H new ATOM 0 HA ALA A 47 4.410 -6.696 1.628 1.00 0.39 H new ATOM 0 HB1 ALA A 47 5.229 -4.382 2.021 1.00 0.46 H new ATOM 0 HB2 ALA A 47 4.284 -4.480 0.516 1.00 0.46 H new ATOM 0 HB3 ALA A 47 3.554 -3.784 1.982 1.00 0.46 H new ATOM 700 N GLU A 48 2.622 -5.526 4.147 1.00 0.37 N ATOM 701 CA GLU A 48 2.494 -5.582 5.638 1.00 0.41 C ATOM 702 C GLU A 48 2.509 -7.046 6.102 1.00 0.42 C ATOM 703 O GLU A 48 3.214 -7.399 7.030 1.00 0.51 O ATOM 704 CB GLU A 48 1.178 -4.922 6.061 1.00 0.43 C ATOM 705 CG GLU A 48 1.159 -4.731 7.582 1.00 0.54 C ATOM 706 CD GLU A 48 -0.027 -5.493 8.181 1.00 0.74 C ATOM 707 OE1 GLU A 48 -1.113 -4.936 8.212 1.00 1.05 O ATOM 708 OE2 GLU A 48 0.170 -6.624 8.596 1.00 1.01 O ATOM 0 H GLU A 48 1.841 -5.079 3.667 1.00 0.37 H new ATOM 0 HA GLU A 48 3.330 -5.052 6.095 1.00 0.41 H new ATOM 0 HB2 GLU A 48 1.067 -3.959 5.563 1.00 0.43 H new ATOM 0 HB3 GLU A 48 0.335 -5.540 5.752 1.00 0.43 H new ATOM 0 HG2 GLU A 48 2.092 -5.091 8.016 1.00 0.54 H new ATOM 0 HG3 GLU A 48 1.083 -3.671 7.825 1.00 0.54 H new ATOM 715 N GLU A 49 1.742 -7.896 5.458 1.00 0.40 N ATOM 716 CA GLU A 49 1.712 -9.341 5.849 1.00 0.47 C ATOM 717 C GLU A 49 3.027 -10.016 5.428 1.00 0.50 C ATOM 718 O GLU A 49 3.516 -10.907 6.101 1.00 0.62 O ATOM 719 CB GLU A 49 0.537 -10.037 5.155 1.00 0.50 C ATOM 720 CG GLU A 49 -0.727 -9.888 6.008 1.00 0.53 C ATOM 721 CD GLU A 49 -1.533 -8.675 5.532 1.00 0.58 C ATOM 722 OE1 GLU A 49 -2.250 -8.811 4.554 1.00 0.71 O ATOM 723 OE2 GLU A 49 -1.420 -7.629 6.153 1.00 0.69 O ATOM 0 H GLU A 49 1.135 -7.649 4.677 1.00 0.40 H new ATOM 0 HA GLU A 49 1.593 -9.419 6.930 1.00 0.47 H new ATOM 0 HB2 GLU A 49 0.375 -9.602 4.169 1.00 0.50 H new ATOM 0 HB3 GLU A 49 0.764 -11.092 5.005 1.00 0.50 H new ATOM 0 HG2 GLU A 49 -1.334 -10.791 5.936 1.00 0.53 H new ATOM 0 HG3 GLU A 49 -0.457 -9.768 7.057 1.00 0.53 H new ATOM 730 N PHE A 50 3.603 -9.589 4.324 1.00 0.45 N ATOM 731 CA PHE A 50 4.892 -10.187 3.848 1.00 0.50 C ATOM 732 C PHE A 50 6.064 -9.711 4.729 1.00 0.57 C ATOM 733 O PHE A 50 7.180 -10.178 4.578 1.00 0.68 O ATOM 734 CB PHE A 50 5.145 -9.759 2.397 1.00 0.48 C ATOM 735 CG PHE A 50 4.626 -10.817 1.447 1.00 0.47 C ATOM 736 CD1 PHE A 50 5.250 -12.067 1.383 1.00 0.72 C ATOM 737 CD2 PHE A 50 3.525 -10.543 0.626 1.00 0.46 C ATOM 738 CE1 PHE A 50 4.774 -13.043 0.500 1.00 0.79 C ATOM 739 CE2 PHE A 50 3.050 -11.519 -0.258 1.00 0.50 C ATOM 740 CZ PHE A 50 3.674 -12.768 -0.321 1.00 0.61 C ATOM 0 H PHE A 50 3.231 -8.847 3.731 1.00 0.45 H new ATOM 0 HA PHE A 50 4.820 -11.273 3.911 1.00 0.50 H new ATOM 0 HB2 PHE A 50 4.652 -8.807 2.199 1.00 0.48 H new ATOM 0 HB3 PHE A 50 6.212 -9.605 2.235 1.00 0.48 H new ATOM 0 HD1 PHE A 50 6.100 -12.279 2.015 1.00 0.72 H new ATOM 0 HD2 PHE A 50 3.042 -9.578 0.675 1.00 0.46 H new ATOM 0 HE1 PHE A 50 5.255 -14.009 0.452 1.00 0.79 H new ATOM 0 HE2 PHE A 50 2.201 -11.307 -0.891 1.00 0.50 H new ATOM 0 HZ PHE A 50 3.308 -13.521 -1.003 1.00 0.61 H new ATOM 750 N LYS A 51 5.820 -8.790 5.644 1.00 0.56 N ATOM 751 CA LYS A 51 6.904 -8.278 6.542 1.00 0.66 C ATOM 752 C LYS A 51 7.909 -7.436 5.737 1.00 0.65 C ATOM 753 O LYS A 51 9.105 -7.475 5.977 1.00 0.76 O ATOM 754 CB LYS A 51 7.615 -9.457 7.217 1.00 0.81 C ATOM 755 CG LYS A 51 7.783 -9.154 8.704 1.00 1.02 C ATOM 756 CD LYS A 51 8.934 -9.983 9.271 1.00 1.35 C ATOM 757 CE LYS A 51 9.660 -9.172 10.341 1.00 1.89 C ATOM 758 NZ LYS A 51 10.855 -9.926 10.811 1.00 2.26 N ATOM 0 H LYS A 51 4.904 -8.371 5.804 1.00 0.56 H new ATOM 0 HA LYS A 51 6.461 -7.644 7.310 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.037 -10.371 7.083 1.00 0.81 H new ATOM 0 HB3 LYS A 51 8.588 -9.624 6.755 1.00 0.81 H new ATOM 0 HG2 LYS A 51 7.981 -8.092 8.849 1.00 1.02 H new ATOM 0 HG3 LYS A 51 6.860 -9.382 9.238 1.00 1.02 H new ATOM 0 HD2 LYS A 51 8.553 -10.911 9.698 1.00 1.35 H new ATOM 0 HD3 LYS A 51 9.626 -10.258 8.475 1.00 1.35 H new ATOM 0 HE2 LYS A 51 9.962 -8.206 9.937 1.00 1.89 H new ATOM 0 HE3 LYS A 51 8.991 -8.972 11.178 1.00 1.89 H new ATOM 0 HZ1 LYS A 51 11.350 -9.373 11.540 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 10.555 -10.838 11.212 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 11.496 -10.094 10.010 1.00 2.26 H new ATOM 772 N VAL A 52 7.425 -6.662 4.793 1.00 0.57 N ATOM 773 CA VAL A 52 8.330 -5.796 3.971 1.00 0.60 C ATOM 774 C VAL A 52 7.716 -4.391 3.850 1.00 0.56 C ATOM 775 O VAL A 52 6.517 -4.227 3.997 1.00 0.54 O ATOM 776 CB VAL A 52 8.510 -6.404 2.569 1.00 0.60 C ATOM 777 CG1 VAL A 52 9.354 -7.679 2.663 1.00 0.74 C ATOM 778 CG2 VAL A 52 7.143 -6.743 1.964 1.00 0.54 C ATOM 0 H VAL A 52 6.435 -6.593 4.556 1.00 0.57 H new ATOM 0 HA VAL A 52 9.304 -5.730 4.456 1.00 0.60 H new ATOM 0 HB VAL A 52 9.015 -5.678 1.932 1.00 0.60 H new ATOM 0 HG11 VAL A 52 9.479 -8.107 1.668 1.00 0.74 H new ATOM 0 HG12 VAL A 52 10.332 -7.438 3.080 1.00 0.74 H new ATOM 0 HG13 VAL A 52 8.852 -8.401 3.308 1.00 0.74 H new ATOM 0 HG21 VAL A 52 7.281 -7.173 0.972 1.00 0.54 H new ATOM 0 HG22 VAL A 52 6.631 -7.462 2.603 1.00 0.54 H new ATOM 0 HG23 VAL A 52 6.544 -5.835 1.886 1.00 0.54 H new ATOM 788 N PRO A 53 8.557 -3.415 3.584 1.00 0.61 N ATOM 789 CA PRO A 53 8.125 -2.011 3.437 1.00 0.64 C ATOM 790 C PRO A 53 7.437 -1.793 2.086 1.00 0.58 C ATOM 791 O PRO A 53 8.003 -2.050 1.039 1.00 0.60 O ATOM 792 CB PRO A 53 9.426 -1.216 3.533 1.00 0.76 C ATOM 793 CG PRO A 53 10.566 -2.198 3.174 1.00 0.78 C ATOM 794 CD PRO A 53 10.013 -3.617 3.404 1.00 0.71 C ATOM 0 HA PRO A 53 7.397 -1.709 4.190 1.00 0.64 H new ATOM 0 HB2 PRO A 53 9.414 -0.368 2.848 1.00 0.76 H new ATOM 0 HB3 PRO A 53 9.562 -0.814 4.537 1.00 0.76 H new ATOM 0 HG2 PRO A 53 10.878 -2.067 2.138 1.00 0.78 H new ATOM 0 HG3 PRO A 53 11.443 -2.018 3.796 1.00 0.78 H new ATOM 0 HD2 PRO A 53 10.223 -4.268 2.556 1.00 0.71 H new ATOM 0 HD3 PRO A 53 10.462 -4.082 4.282 1.00 0.71 H new ATOM 802 N ALA A 54 6.216 -1.315 2.115 1.00 0.59 N ATOM 803 CA ALA A 54 5.455 -1.066 0.850 1.00 0.60 C ATOM 804 C ALA A 54 6.061 0.127 0.096 1.00 0.65 C ATOM 805 O ALA A 54 6.031 0.173 -1.121 1.00 0.69 O ATOM 806 CB ALA A 54 3.990 -0.765 1.185 1.00 0.69 C ATOM 0 H ALA A 54 5.709 -1.085 2.970 1.00 0.59 H new ATOM 0 HA ALA A 54 5.513 -1.954 0.220 1.00 0.60 H new ATOM 0 HB1 ALA A 54 3.436 -0.584 0.264 1.00 0.69 H new ATOM 0 HB2 ALA A 54 3.554 -1.616 1.709 1.00 0.69 H new ATOM 0 HB3 ALA A 54 3.936 0.119 1.821 1.00 0.69 H new ATOM 812 N ALA A 55 6.609 1.087 0.810 1.00 0.72 N ATOM 813 CA ALA A 55 7.222 2.281 0.145 1.00 0.81 C ATOM 814 C ALA A 55 8.333 1.832 -0.814 1.00 0.75 C ATOM 815 O ALA A 55 8.481 2.375 -1.894 1.00 0.83 O ATOM 816 CB ALA A 55 7.813 3.211 1.208 1.00 0.93 C ATOM 0 H ALA A 55 6.657 1.092 1.829 1.00 0.72 H new ATOM 0 HA ALA A 55 6.453 2.810 -0.418 1.00 0.81 H new ATOM 0 HB1 ALA A 55 8.259 4.080 0.724 1.00 0.93 H new ATOM 0 HB2 ALA A 55 7.024 3.538 1.885 1.00 0.93 H new ATOM 0 HB3 ALA A 55 8.578 2.678 1.773 1.00 0.93 H new ATOM 822 N THR A 56 9.109 0.843 -0.428 1.00 0.67 N ATOM 823 CA THR A 56 10.210 0.351 -1.314 1.00 0.68 C ATOM 824 C THR A 56 9.913 -1.095 -1.750 1.00 0.59 C ATOM 825 O THR A 56 10.772 -1.960 -1.704 1.00 0.65 O ATOM 826 CB THR A 56 11.548 0.415 -0.557 1.00 0.77 C ATOM 827 OG1 THR A 56 11.431 -0.260 0.689 1.00 0.78 O ATOM 828 CG2 THR A 56 11.930 1.877 -0.313 1.00 0.89 C ATOM 0 H THR A 56 9.025 0.356 0.464 1.00 0.67 H new ATOM 0 HA THR A 56 10.275 0.981 -2.201 1.00 0.68 H new ATOM 0 HB THR A 56 12.321 -0.068 -1.155 1.00 0.77 H new ATOM 0 HG1 THR A 56 12.286 -0.217 1.166 1.00 0.78 H new ATOM 0 HG21 THR A 56 12.878 1.921 0.223 1.00 0.89 H new ATOM 0 HG22 THR A 56 12.030 2.391 -1.269 1.00 0.89 H new ATOM 0 HG23 THR A 56 11.155 2.361 0.281 1.00 0.89 H new ATOM 836 N SER A 57 8.699 -1.356 -2.179 1.00 0.52 N ATOM 837 CA SER A 57 8.331 -2.736 -2.627 1.00 0.47 C ATOM 838 C SER A 57 7.438 -2.660 -3.872 1.00 0.41 C ATOM 839 O SER A 57 6.782 -1.663 -4.123 1.00 0.50 O ATOM 840 CB SER A 57 7.576 -3.459 -1.511 1.00 0.48 C ATOM 841 OG SER A 57 8.501 -4.187 -0.712 1.00 0.69 O ATOM 0 H SER A 57 7.947 -0.670 -2.238 1.00 0.52 H new ATOM 0 HA SER A 57 9.243 -3.284 -2.866 1.00 0.47 H new ATOM 0 HB2 SER A 57 7.035 -2.739 -0.897 1.00 0.48 H new ATOM 0 HB3 SER A 57 6.835 -4.135 -1.937 1.00 0.48 H new ATOM 0 HG SER A 57 8.643 -3.716 0.135 1.00 0.69 H new ATOM 847 N ALA A 58 7.413 -3.716 -4.646 1.00 0.40 N ATOM 848 CA ALA A 58 6.571 -3.740 -5.882 1.00 0.37 C ATOM 849 C ALA A 58 5.974 -5.141 -6.070 1.00 0.30 C ATOM 850 O ALA A 58 6.388 -6.095 -5.433 1.00 0.37 O ATOM 851 CB ALA A 58 7.436 -3.387 -7.094 1.00 0.49 C ATOM 0 H ALA A 58 7.944 -4.570 -4.473 1.00 0.40 H new ATOM 0 HA ALA A 58 5.765 -3.013 -5.786 1.00 0.37 H new ATOM 0 HB1 ALA A 58 6.824 -3.404 -7.995 1.00 0.49 H new ATOM 0 HB2 ALA A 58 7.859 -2.391 -6.962 1.00 0.49 H new ATOM 0 HB3 ALA A 58 8.243 -4.114 -7.189 1.00 0.49 H new ATOM 857 N ILE A 59 5.002 -5.270 -6.942 1.00 0.29 N ATOM 858 CA ILE A 59 4.370 -6.603 -7.181 1.00 0.28 C ATOM 859 C ILE A 59 4.417 -6.922 -8.679 1.00 0.29 C ATOM 860 O ILE A 59 3.888 -6.189 -9.490 1.00 0.35 O ATOM 861 CB ILE A 59 2.913 -6.571 -6.690 1.00 0.32 C ATOM 862 CG1 ILE A 59 2.884 -6.834 -5.179 1.00 0.36 C ATOM 863 CG2 ILE A 59 2.087 -7.643 -7.410 1.00 0.38 C ATOM 864 CD1 ILE A 59 1.517 -6.442 -4.613 1.00 0.46 C ATOM 0 H ILE A 59 4.619 -4.506 -7.499 1.00 0.29 H new ATOM 0 HA ILE A 59 4.911 -7.375 -6.635 1.00 0.28 H new ATOM 0 HB ILE A 59 2.485 -5.592 -6.905 1.00 0.32 H new ATOM 0 HG12 ILE A 59 3.082 -7.887 -4.980 1.00 0.36 H new ATOM 0 HG13 ILE A 59 3.670 -6.262 -4.686 1.00 0.36 H new ATOM 0 HG21 ILE A 59 1.058 -7.610 -7.053 1.00 0.38 H new ATOM 0 HG22 ILE A 59 2.105 -7.456 -8.484 1.00 0.38 H new ATOM 0 HG23 ILE A 59 2.510 -8.627 -7.206 1.00 0.38 H new ATOM 0 HD11 ILE A 59 1.500 -6.630 -3.540 1.00 0.46 H new ATOM 0 HD12 ILE A 59 1.336 -5.383 -4.799 1.00 0.46 H new ATOM 0 HD13 ILE A 59 0.740 -7.033 -5.097 1.00 0.46 H new ATOM 876 N ILE A 60 5.041 -8.014 -9.047 1.00 0.30 N ATOM 877 CA ILE A 60 5.115 -8.386 -10.495 1.00 0.35 C ATOM 878 C ILE A 60 4.036 -9.432 -10.813 1.00 0.38 C ATOM 879 O ILE A 60 3.368 -9.937 -9.931 1.00 0.41 O ATOM 880 CB ILE A 60 6.505 -8.954 -10.826 1.00 0.40 C ATOM 881 CG1 ILE A 60 6.785 -10.194 -9.966 1.00 0.47 C ATOM 882 CG2 ILE A 60 7.575 -7.893 -10.554 1.00 0.42 C ATOM 883 CD1 ILE A 60 7.219 -11.354 -10.866 1.00 0.62 C ATOM 0 H ILE A 60 5.502 -8.663 -8.409 1.00 0.30 H new ATOM 0 HA ILE A 60 4.946 -7.495 -11.100 1.00 0.35 H new ATOM 0 HB ILE A 60 6.530 -9.235 -11.879 1.00 0.40 H new ATOM 0 HG12 ILE A 60 7.565 -9.975 -9.236 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.892 -10.470 -9.405 1.00 0.47 H new ATOM 0 HG21 ILE A 60 8.559 -8.299 -10.790 1.00 0.42 H new ATOM 0 HG22 ILE A 60 7.386 -7.018 -11.175 1.00 0.42 H new ATOM 0 HG23 ILE A 60 7.544 -7.606 -9.503 1.00 0.42 H new ATOM 0 HD11 ILE A 60 7.418 -12.234 -10.255 1.00 0.62 H new ATOM 0 HD12 ILE A 60 6.425 -11.579 -11.578 1.00 0.62 H new ATOM 0 HD13 ILE A 60 8.124 -11.076 -11.407 1.00 0.62 H new ATOM 895 N THR A 61 3.859 -9.752 -12.071 1.00 0.45 N ATOM 896 CA THR A 61 2.826 -10.762 -12.461 1.00 0.50 C ATOM 897 C THR A 61 3.508 -12.104 -12.756 1.00 0.55 C ATOM 898 O THR A 61 4.677 -12.154 -13.103 1.00 0.58 O ATOM 899 CB THR A 61 2.074 -10.271 -13.709 1.00 0.59 C ATOM 900 OG1 THR A 61 1.628 -8.939 -13.498 1.00 0.60 O ATOM 901 CG2 THR A 61 0.865 -11.172 -13.979 1.00 0.69 C ATOM 0 H THR A 61 4.388 -9.356 -12.848 1.00 0.45 H new ATOM 0 HA THR A 61 2.116 -10.893 -11.644 1.00 0.50 H new ATOM 0 HB THR A 61 2.746 -10.304 -14.567 1.00 0.59 H new ATOM 0 HG1 THR A 61 0.902 -8.734 -14.124 1.00 0.60 H new ATOM 0 HG21 THR A 61 0.338 -10.818 -14.865 1.00 0.69 H new ATOM 0 HG22 THR A 61 1.203 -12.195 -14.143 1.00 0.69 H new ATOM 0 HG23 THR A 61 0.193 -11.145 -13.121 1.00 0.69 H new ATOM 909 N ASN A 62 2.782 -13.191 -12.616 1.00 0.61 N ATOM 910 CA ASN A 62 3.366 -14.547 -12.881 1.00 0.69 C ATOM 911 C ASN A 62 3.945 -14.617 -14.304 1.00 0.76 C ATOM 912 O ASN A 62 4.843 -15.397 -14.572 1.00 0.85 O ATOM 913 CB ASN A 62 2.273 -15.610 -12.725 1.00 0.74 C ATOM 914 CG ASN A 62 2.221 -16.082 -11.269 1.00 0.73 C ATOM 915 OD1 ASN A 62 1.780 -15.358 -10.397 1.00 0.74 O ATOM 916 ND2 ASN A 62 2.656 -17.275 -10.967 1.00 0.99 N ATOM 0 H ASN A 62 1.804 -13.196 -12.328 1.00 0.61 H new ATOM 0 HA ASN A 62 4.168 -14.729 -12.166 1.00 0.69 H new ATOM 0 HB2 ASN A 62 1.307 -15.199 -13.020 1.00 0.74 H new ATOM 0 HB3 ASN A 62 2.475 -16.454 -13.385 1.00 0.74 H new ATOM 0 HD21 ASN A 62 2.626 -17.599 -10.000 1.00 0.99 H new ATOM 0 HD22 ASN A 62 3.026 -17.883 -11.698 1.00 0.99 H new ATOM 923 N ASP A 63 3.445 -13.811 -15.216 1.00 0.78 N ATOM 924 CA ASP A 63 3.968 -13.829 -16.616 1.00 0.90 C ATOM 925 C ASP A 63 5.282 -13.042 -16.683 1.00 0.88 C ATOM 926 O ASP A 63 6.270 -13.521 -17.209 1.00 1.06 O ATOM 927 CB ASP A 63 2.941 -13.188 -17.558 1.00 0.99 C ATOM 928 CG ASP A 63 1.684 -14.063 -17.624 1.00 1.11 C ATOM 929 OD1 ASP A 63 1.652 -14.960 -18.451 1.00 1.30 O ATOM 930 OD2 ASP A 63 0.773 -13.819 -16.848 1.00 1.22 O ATOM 0 H ASP A 63 2.695 -13.141 -15.046 1.00 0.78 H new ATOM 0 HA ASP A 63 4.146 -14.860 -16.921 1.00 0.90 H new ATOM 0 HB2 ASP A 63 2.683 -12.190 -17.205 1.00 0.99 H new ATOM 0 HB3 ASP A 63 3.369 -13.073 -18.554 1.00 0.99 H new ATOM 935 N GLY A 64 5.300 -11.842 -16.147 1.00 0.77 N ATOM 936 CA GLY A 64 6.550 -11.020 -16.171 1.00 0.78 C ATOM 937 C GLY A 64 6.200 -9.539 -16.344 1.00 0.77 C ATOM 938 O GLY A 64 6.664 -8.890 -17.264 1.00 0.89 O ATOM 0 H GLY A 64 4.501 -11.398 -15.694 1.00 0.77 H new ATOM 0 HA2 GLY A 64 7.108 -11.165 -15.246 1.00 0.78 H new ATOM 0 HA3 GLY A 64 7.195 -11.347 -16.987 1.00 0.78 H new ATOM 942 N VAL A 65 5.388 -9.002 -15.462 1.00 0.68 N ATOM 943 CA VAL A 65 5.002 -7.559 -15.560 1.00 0.69 C ATOM 944 C VAL A 65 5.159 -6.903 -14.181 1.00 0.59 C ATOM 945 O VAL A 65 4.500 -7.280 -13.230 1.00 0.56 O ATOM 946 CB VAL A 65 3.544 -7.442 -16.026 1.00 0.77 C ATOM 947 CG1 VAL A 65 3.190 -5.969 -16.251 1.00 0.85 C ATOM 948 CG2 VAL A 65 3.359 -8.213 -17.338 1.00 0.95 C ATOM 0 H VAL A 65 4.975 -9.504 -14.676 1.00 0.68 H new ATOM 0 HA VAL A 65 5.646 -7.056 -16.281 1.00 0.69 H new ATOM 0 HB VAL A 65 2.890 -7.861 -15.261 1.00 0.77 H new ATOM 0 HG11 VAL A 65 2.154 -5.890 -16.582 1.00 0.85 H new ATOM 0 HG12 VAL A 65 3.316 -5.418 -15.319 1.00 0.85 H new ATOM 0 HG13 VAL A 65 3.847 -5.549 -17.013 1.00 0.85 H new ATOM 0 HG21 VAL A 65 2.323 -8.128 -17.667 1.00 0.95 H new ATOM 0 HG22 VAL A 65 4.017 -7.796 -18.101 1.00 0.95 H new ATOM 0 HG23 VAL A 65 3.605 -9.263 -17.181 1.00 0.95 H new ATOM 958 N GLY A 66 6.033 -5.929 -14.074 1.00 0.60 N ATOM 959 CA GLY A 66 6.256 -5.238 -12.767 1.00 0.52 C ATOM 960 C GLY A 66 5.071 -4.323 -12.454 1.00 0.52 C ATOM 961 O GLY A 66 5.087 -3.145 -12.762 1.00 0.61 O ATOM 0 H GLY A 66 6.605 -5.582 -14.844 1.00 0.60 H new ATOM 0 HA2 GLY A 66 6.378 -5.974 -11.973 1.00 0.52 H new ATOM 0 HA3 GLY A 66 7.176 -4.655 -12.806 1.00 0.52 H new ATOM 965 N VAL A 67 4.047 -4.866 -11.841 1.00 0.47 N ATOM 966 CA VAL A 67 2.844 -4.048 -11.490 1.00 0.52 C ATOM 967 C VAL A 67 3.195 -3.083 -10.350 1.00 0.47 C ATOM 968 O VAL A 67 3.754 -3.476 -9.337 1.00 0.46 O ATOM 969 CB VAL A 67 1.696 -4.967 -11.046 1.00 0.54 C ATOM 970 CG1 VAL A 67 0.401 -4.155 -10.938 1.00 0.66 C ATOM 971 CG2 VAL A 67 1.506 -6.093 -12.069 1.00 0.62 C ATOM 0 H VAL A 67 3.993 -5.847 -11.567 1.00 0.47 H new ATOM 0 HA VAL A 67 2.530 -3.481 -12.367 1.00 0.52 H new ATOM 0 HB VAL A 67 1.939 -5.399 -10.075 1.00 0.54 H new ATOM 0 HG11 VAL A 67 -0.413 -4.808 -10.623 1.00 0.66 H new ATOM 0 HG12 VAL A 67 0.531 -3.358 -10.206 1.00 0.66 H new ATOM 0 HG13 VAL A 67 0.162 -3.720 -11.909 1.00 0.66 H new ATOM 0 HG21 VAL A 67 0.691 -6.742 -11.749 1.00 0.62 H new ATOM 0 HG22 VAL A 67 1.268 -5.664 -13.042 1.00 0.62 H new ATOM 0 HG23 VAL A 67 2.424 -6.675 -12.144 1.00 0.62 H new ATOM 981 N ASN A 68 2.870 -1.825 -10.513 1.00 0.53 N ATOM 982 CA ASN A 68 3.174 -0.816 -9.453 1.00 0.52 C ATOM 983 C ASN A 68 1.875 -0.394 -8.750 1.00 0.55 C ATOM 984 O ASN A 68 0.796 -0.562 -9.290 1.00 0.59 O ATOM 985 CB ASN A 68 3.832 0.410 -10.098 1.00 0.57 C ATOM 986 CG ASN A 68 5.330 0.150 -10.280 1.00 0.66 C ATOM 987 OD1 ASN A 68 5.740 -0.446 -11.257 1.00 0.89 O ATOM 988 ND2 ASN A 68 6.170 0.574 -9.376 1.00 0.76 N ATOM 0 H ASN A 68 2.404 -1.452 -11.340 1.00 0.53 H new ATOM 0 HA ASN A 68 3.851 -1.252 -8.719 1.00 0.52 H new ATOM 0 HB2 ASN A 68 3.369 0.619 -11.062 1.00 0.57 H new ATOM 0 HB3 ASN A 68 3.678 1.290 -9.473 1.00 0.57 H new ATOM 0 HD21 ASN A 68 7.170 0.405 -9.490 1.00 0.76 H new ATOM 0 HD22 ASN A 68 5.827 1.074 -8.556 1.00 0.76 H new ATOM 995 N PRO A 69 2.024 0.154 -7.562 1.00 0.57 N ATOM 996 CA PRO A 69 0.887 0.623 -6.748 1.00 0.65 C ATOM 997 C PRO A 69 0.387 1.978 -7.278 1.00 0.72 C ATOM 998 O PRO A 69 0.490 2.997 -6.619 1.00 0.81 O ATOM 999 CB PRO A 69 1.479 0.747 -5.339 1.00 0.71 C ATOM 1000 CG PRO A 69 3.009 0.894 -5.520 1.00 0.67 C ATOM 1001 CD PRO A 69 3.342 0.351 -6.921 1.00 0.57 C ATOM 0 HA PRO A 69 0.025 -0.044 -6.771 1.00 0.65 H new ATOM 0 HB2 PRO A 69 1.065 1.610 -4.818 1.00 0.71 H new ATOM 0 HB3 PRO A 69 1.241 -0.131 -4.739 1.00 0.71 H new ATOM 0 HG2 PRO A 69 3.311 1.937 -5.427 1.00 0.67 H new ATOM 0 HG3 PRO A 69 3.545 0.337 -4.751 1.00 0.67 H new ATOM 0 HD2 PRO A 69 3.956 1.054 -7.484 1.00 0.57 H new ATOM 0 HD3 PRO A 69 3.899 -0.584 -6.863 1.00 0.57 H new ATOM 1009 N ALA A 70 -0.140 1.988 -8.479 1.00 0.73 N ATOM 1010 CA ALA A 70 -0.642 3.263 -9.086 1.00 0.83 C ATOM 1011 C ALA A 70 -2.001 3.048 -9.785 1.00 0.83 C ATOM 1012 O ALA A 70 -2.749 3.991 -9.980 1.00 1.22 O ATOM 1013 CB ALA A 70 0.380 3.770 -10.107 1.00 0.97 C ATOM 0 H ALA A 70 -0.245 1.163 -9.069 1.00 0.73 H new ATOM 0 HA ALA A 70 -0.778 3.996 -8.291 1.00 0.83 H new ATOM 0 HB1 ALA A 70 0.020 4.698 -10.552 1.00 0.97 H new ATOM 0 HB2 ALA A 70 1.332 3.952 -9.609 1.00 0.97 H new ATOM 0 HB3 ALA A 70 0.516 3.022 -10.888 1.00 0.97 H new ATOM 1019 N GLN A 71 -2.326 1.830 -10.169 1.00 0.75 N ATOM 1020 CA GLN A 71 -3.630 1.568 -10.859 1.00 0.72 C ATOM 1021 C GLN A 71 -4.680 1.092 -9.842 1.00 0.66 C ATOM 1022 O GLN A 71 -4.338 0.679 -8.750 1.00 0.65 O ATOM 1023 CB GLN A 71 -3.425 0.481 -11.919 1.00 0.79 C ATOM 1024 CG GLN A 71 -2.591 1.039 -13.075 1.00 0.90 C ATOM 1025 CD GLN A 71 -1.531 0.012 -13.479 1.00 0.91 C ATOM 1026 OE1 GLN A 71 -1.763 -0.813 -14.342 1.00 1.20 O ATOM 1027 NE2 GLN A 71 -0.367 0.023 -12.886 1.00 1.18 N ATOM 0 H GLN A 71 -1.740 1.006 -10.032 1.00 0.75 H new ATOM 0 HA GLN A 71 -3.980 2.488 -11.328 1.00 0.72 H new ATOM 0 HB2 GLN A 71 -2.923 -0.380 -11.478 1.00 0.79 H new ATOM 0 HB3 GLN A 71 -4.390 0.133 -12.288 1.00 0.79 H new ATOM 0 HG2 GLN A 71 -3.234 1.268 -13.925 1.00 0.90 H new ATOM 0 HG3 GLN A 71 -2.114 1.972 -12.776 1.00 0.90 H new ATOM 0 HE21 GLN A 71 -0.170 0.714 -12.162 1.00 1.18 H new ATOM 0 HE22 GLN A 71 0.345 -0.659 -13.147 1.00 1.18 H new ATOM 1036 N PRO A 72 -5.935 1.156 -10.239 1.00 0.69 N ATOM 1037 CA PRO A 72 -7.065 0.728 -9.388 1.00 0.69 C ATOM 1038 C PRO A 72 -7.168 -0.804 -9.357 1.00 0.65 C ATOM 1039 O PRO A 72 -6.768 -1.479 -10.289 1.00 0.65 O ATOM 1040 CB PRO A 72 -8.287 1.350 -10.069 1.00 0.80 C ATOM 1041 CG PRO A 72 -7.882 1.610 -11.539 1.00 0.84 C ATOM 1042 CD PRO A 72 -6.343 1.658 -11.570 1.00 0.78 C ATOM 0 HA PRO A 72 -6.960 1.041 -8.349 1.00 0.69 H new ATOM 0 HB2 PRO A 72 -9.145 0.680 -10.015 1.00 0.80 H new ATOM 0 HB3 PRO A 72 -8.576 2.278 -9.576 1.00 0.80 H new ATOM 0 HG2 PRO A 72 -8.258 0.821 -12.190 1.00 0.84 H new ATOM 0 HG3 PRO A 72 -8.306 2.548 -11.898 1.00 0.84 H new ATOM 0 HD2 PRO A 72 -5.942 1.036 -12.370 1.00 0.78 H new ATOM 0 HD3 PRO A 72 -5.980 2.671 -11.741 1.00 0.78 H new ATOM 1050 N ALA A 73 -7.699 -1.351 -8.287 1.00 0.64 N ATOM 1051 CA ALA A 73 -7.834 -2.840 -8.167 1.00 0.61 C ATOM 1052 C ALA A 73 -8.605 -3.406 -9.370 1.00 0.64 C ATOM 1053 O ALA A 73 -8.262 -4.452 -9.891 1.00 0.63 O ATOM 1054 CB ALA A 73 -8.583 -3.181 -6.877 1.00 0.65 C ATOM 0 H ALA A 73 -8.047 -0.825 -7.485 1.00 0.64 H new ATOM 0 HA ALA A 73 -6.839 -3.284 -8.145 1.00 0.61 H new ATOM 0 HB1 ALA A 73 -8.682 -4.263 -6.789 1.00 0.65 H new ATOM 0 HB2 ALA A 73 -8.028 -2.796 -6.021 1.00 0.65 H new ATOM 0 HB3 ALA A 73 -9.574 -2.727 -6.901 1.00 0.65 H new ATOM 1060 N GLY A 74 -9.639 -2.724 -9.811 1.00 0.71 N ATOM 1061 CA GLY A 74 -10.437 -3.215 -10.980 1.00 0.76 C ATOM 1062 C GLY A 74 -9.531 -3.354 -12.211 1.00 0.74 C ATOM 1063 O GLY A 74 -9.559 -4.359 -12.897 1.00 0.76 O ATOM 0 H GLY A 74 -9.964 -1.845 -9.409 1.00 0.71 H new ATOM 0 HA2 GLY A 74 -10.892 -4.177 -10.742 1.00 0.76 H new ATOM 0 HA3 GLY A 74 -11.250 -2.521 -11.193 1.00 0.76 H new ATOM 1067 N ASN A 75 -8.730 -2.350 -12.491 1.00 0.73 N ATOM 1068 CA ASN A 75 -7.816 -2.409 -13.675 1.00 0.73 C ATOM 1069 C ASN A 75 -6.713 -3.450 -13.437 1.00 0.68 C ATOM 1070 O ASN A 75 -6.316 -4.154 -14.348 1.00 0.72 O ATOM 1071 CB ASN A 75 -7.179 -1.032 -13.894 1.00 0.77 C ATOM 1072 CG ASN A 75 -6.770 -0.883 -15.361 1.00 1.16 C ATOM 1073 OD1 ASN A 75 -7.594 -0.603 -16.208 1.00 1.51 O ATOM 1074 ND2 ASN A 75 -5.521 -1.060 -15.700 1.00 1.62 N ATOM 0 H ASN A 75 -8.672 -1.489 -11.946 1.00 0.73 H new ATOM 0 HA ASN A 75 -8.390 -2.694 -14.556 1.00 0.73 H new ATOM 0 HB2 ASN A 75 -7.884 -0.247 -13.621 1.00 0.77 H new ATOM 0 HB3 ASN A 75 -6.308 -0.917 -13.250 1.00 0.77 H new ATOM 0 HD21 ASN A 75 -5.239 -0.963 -16.675 1.00 1.62 H new ATOM 0 HD22 ASN A 75 -4.828 -1.295 -14.989 1.00 1.62 H new ATOM 1081 N ILE A 76 -6.221 -3.554 -12.222 1.00 0.64 N ATOM 1082 CA ILE A 76 -5.144 -4.550 -11.915 1.00 0.63 C ATOM 1083 C ILE A 76 -5.671 -5.970 -12.177 1.00 0.64 C ATOM 1084 O ILE A 76 -4.974 -6.802 -12.728 1.00 0.68 O ATOM 1085 CB ILE A 76 -4.722 -4.414 -10.443 1.00 0.61 C ATOM 1086 CG1 ILE A 76 -4.067 -3.041 -10.221 1.00 0.62 C ATOM 1087 CG2 ILE A 76 -3.727 -5.524 -10.079 1.00 0.61 C ATOM 1088 CD1 ILE A 76 -2.695 -2.992 -10.904 1.00 0.65 C ATOM 0 H ILE A 76 -6.521 -2.989 -11.428 1.00 0.64 H new ATOM 0 HA ILE A 76 -4.281 -4.363 -12.554 1.00 0.63 H new ATOM 0 HB ILE A 76 -5.604 -4.504 -9.808 1.00 0.61 H new ATOM 0 HG12 ILE A 76 -4.708 -2.255 -10.620 1.00 0.62 H new ATOM 0 HG13 ILE A 76 -3.957 -2.851 -9.153 1.00 0.62 H new ATOM 0 HG21 ILE A 76 -3.433 -5.421 -9.035 1.00 0.61 H new ATOM 0 HG22 ILE A 76 -4.196 -6.496 -10.230 1.00 0.61 H new ATOM 0 HG23 ILE A 76 -2.845 -5.444 -10.714 1.00 0.61 H new ATOM 0 HD11 ILE A 76 -2.241 -2.015 -10.740 1.00 0.65 H new ATOM 0 HD12 ILE A 76 -2.052 -3.766 -10.485 1.00 0.65 H new ATOM 0 HD13 ILE A 76 -2.815 -3.161 -11.974 1.00 0.65 H new ATOM 1100 N PHE A 77 -6.897 -6.245 -11.791 1.00 0.65 N ATOM 1101 CA PHE A 77 -7.481 -7.604 -12.018 1.00 0.70 C ATOM 1102 C PHE A 77 -7.822 -7.779 -13.506 1.00 0.76 C ATOM 1103 O PHE A 77 -7.626 -8.839 -14.071 1.00 0.83 O ATOM 1104 CB PHE A 77 -8.752 -7.761 -11.176 1.00 0.73 C ATOM 1105 CG PHE A 77 -9.122 -9.224 -11.080 1.00 0.76 C ATOM 1106 CD1 PHE A 77 -8.553 -10.028 -10.084 1.00 0.79 C ATOM 1107 CD2 PHE A 77 -10.035 -9.776 -11.987 1.00 0.89 C ATOM 1108 CE1 PHE A 77 -8.897 -11.383 -9.997 1.00 0.85 C ATOM 1109 CE2 PHE A 77 -10.378 -11.131 -11.899 1.00 0.94 C ATOM 1110 CZ PHE A 77 -9.809 -11.933 -10.904 1.00 0.88 C ATOM 0 H PHE A 77 -7.519 -5.583 -11.327 1.00 0.65 H new ATOM 0 HA PHE A 77 -6.756 -8.363 -11.725 1.00 0.70 H new ATOM 0 HB2 PHE A 77 -8.592 -7.350 -10.179 1.00 0.73 H new ATOM 0 HB3 PHE A 77 -9.570 -7.198 -11.626 1.00 0.73 H new ATOM 0 HD1 PHE A 77 -7.849 -9.603 -9.383 1.00 0.79 H new ATOM 0 HD2 PHE A 77 -10.475 -9.157 -12.755 1.00 0.89 H new ATOM 0 HE1 PHE A 77 -8.458 -12.003 -9.230 1.00 0.85 H new ATOM 0 HE2 PHE A 77 -11.082 -11.557 -12.599 1.00 0.94 H new ATOM 0 HZ PHE A 77 -10.074 -12.978 -10.836 1.00 0.88 H new ATOM 1120 N LEU A 78 -8.333 -6.747 -14.142 1.00 0.76 N ATOM 1121 CA LEU A 78 -8.692 -6.845 -15.594 1.00 0.82 C ATOM 1122 C LEU A 78 -7.426 -7.059 -16.441 1.00 0.85 C ATOM 1123 O LEU A 78 -7.465 -7.721 -17.463 1.00 0.96 O ATOM 1124 CB LEU A 78 -9.384 -5.550 -16.041 1.00 0.84 C ATOM 1125 CG LEU A 78 -10.829 -5.527 -15.530 1.00 0.87 C ATOM 1126 CD1 LEU A 78 -11.381 -4.102 -15.626 1.00 0.90 C ATOM 1127 CD2 LEU A 78 -11.694 -6.462 -16.381 1.00 0.96 C ATOM 0 H LEU A 78 -8.517 -5.839 -13.715 1.00 0.76 H new ATOM 0 HA LEU A 78 -9.364 -7.691 -15.733 1.00 0.82 H new ATOM 0 HB2 LEU A 78 -8.840 -4.686 -15.659 1.00 0.84 H new ATOM 0 HB3 LEU A 78 -9.373 -5.478 -17.129 1.00 0.84 H new ATOM 0 HG LEU A 78 -10.848 -5.860 -14.492 1.00 0.87 H new ATOM 0 HD11 LEU A 78 -12.409 -4.085 -15.263 1.00 0.90 H new ATOM 0 HD12 LEU A 78 -10.770 -3.434 -15.019 1.00 0.90 H new ATOM 0 HD13 LEU A 78 -11.358 -3.772 -16.665 1.00 0.90 H new ATOM 0 HD21 LEU A 78 -12.720 -6.443 -16.014 1.00 0.96 H new ATOM 0 HD22 LEU A 78 -11.674 -6.132 -17.420 1.00 0.96 H new ATOM 0 HD23 LEU A 78 -11.305 -7.478 -16.316 1.00 0.96 H new ATOM 1139 N LYS A 79 -6.314 -6.491 -16.032 1.00 0.80 N ATOM 1140 CA LYS A 79 -5.049 -6.641 -16.816 1.00 0.84 C ATOM 1141 C LYS A 79 -4.249 -7.857 -16.342 1.00 0.83 C ATOM 1142 O LYS A 79 -3.948 -8.748 -17.117 1.00 0.96 O ATOM 1143 CB LYS A 79 -4.196 -5.385 -16.634 1.00 0.85 C ATOM 1144 CG LYS A 79 -4.577 -4.353 -17.695 1.00 1.31 C ATOM 1145 CD LYS A 79 -3.419 -4.187 -18.680 1.00 1.78 C ATOM 1146 CE LYS A 79 -3.218 -2.701 -18.985 1.00 2.48 C ATOM 1147 NZ LYS A 79 -1.767 -2.425 -19.202 1.00 3.12 N ATOM 0 H LYS A 79 -6.230 -5.928 -15.185 1.00 0.80 H new ATOM 0 HA LYS A 79 -5.308 -6.781 -17.866 1.00 0.84 H new ATOM 0 HB2 LYS A 79 -4.348 -4.971 -15.637 1.00 0.85 H new ATOM 0 HB3 LYS A 79 -3.138 -5.635 -16.718 1.00 0.85 H new ATOM 0 HG2 LYS A 79 -5.475 -4.673 -18.223 1.00 1.31 H new ATOM 0 HG3 LYS A 79 -4.807 -3.398 -17.223 1.00 1.31 H new ATOM 0 HD2 LYS A 79 -2.506 -4.610 -18.260 1.00 1.78 H new ATOM 0 HD3 LYS A 79 -3.629 -4.733 -19.600 1.00 1.78 H new ATOM 0 HE2 LYS A 79 -3.788 -2.421 -19.871 1.00 2.48 H new ATOM 0 HE3 LYS A 79 -3.594 -2.096 -18.160 1.00 2.48 H new ATOM 0 HZ1 LYS A 79 -1.633 -1.415 -19.409 1.00 3.12 H new ATOM 0 HZ2 LYS A 79 -1.234 -2.677 -18.345 1.00 3.12 H new ATOM 0 HZ3 LYS A 79 -1.422 -2.991 -20.003 1.00 3.12 H new ATOM 1161 N HIS A 80 -3.880 -7.884 -15.085 1.00 0.75 N ATOM 1162 CA HIS A 80 -3.065 -9.023 -14.555 1.00 0.78 C ATOM 1163 C HIS A 80 -3.978 -10.129 -14.015 1.00 0.80 C ATOM 1164 O HIS A 80 -3.825 -11.285 -14.364 1.00 0.99 O ATOM 1165 CB HIS A 80 -2.143 -8.518 -13.437 1.00 0.74 C ATOM 1166 CG HIS A 80 -1.520 -7.209 -13.853 1.00 0.80 C ATOM 1167 ND1 HIS A 80 -0.605 -7.120 -14.891 1.00 0.92 N ATOM 1168 CD2 HIS A 80 -1.692 -5.926 -13.395 1.00 0.86 C ATOM 1169 CE1 HIS A 80 -0.265 -5.826 -15.024 1.00 1.01 C ATOM 1170 NE2 HIS A 80 -0.899 -5.054 -14.136 1.00 0.99 N ATOM 0 H HIS A 80 -4.109 -7.164 -14.400 1.00 0.75 H new ATOM 0 HA HIS A 80 -2.463 -9.433 -15.366 1.00 0.78 H new ATOM 0 HB2 HIS A 80 -2.710 -8.387 -12.515 1.00 0.74 H new ATOM 0 HB3 HIS A 80 -1.366 -9.254 -13.232 1.00 0.74 H new ATOM 0 HD2 HIS A 80 -2.343 -5.637 -12.583 1.00 0.86 H new ATOM 0 HE1 HIS A 80 0.435 -5.456 -15.759 1.00 1.01 H new ATOM 0 HE2 HIS A 80 -0.819 -4.043 -14.025 1.00 0.99 H new ATOM 1178 N GLY A 81 -4.922 -9.787 -13.168 1.00 0.73 N ATOM 1179 CA GLY A 81 -5.844 -10.821 -12.605 1.00 0.78 C ATOM 1180 C GLY A 81 -5.462 -11.127 -11.153 1.00 0.73 C ATOM 1181 O GLY A 81 -5.332 -10.231 -10.338 1.00 0.80 O ATOM 0 H GLY A 81 -5.092 -8.835 -12.844 1.00 0.73 H new ATOM 0 HA2 GLY A 81 -6.874 -10.467 -12.652 1.00 0.78 H new ATOM 0 HA3 GLY A 81 -5.792 -11.731 -13.203 1.00 0.78 H new ATOM 1185 N SER A 82 -5.289 -12.387 -10.827 1.00 0.70 N ATOM 1186 CA SER A 82 -4.922 -12.769 -9.427 1.00 0.66 C ATOM 1187 C SER A 82 -3.476 -13.282 -9.377 1.00 0.60 C ATOM 1188 O SER A 82 -2.776 -13.061 -8.406 1.00 0.62 O ATOM 1189 CB SER A 82 -5.871 -13.866 -8.932 1.00 0.73 C ATOM 1190 OG SER A 82 -6.154 -13.656 -7.554 1.00 0.95 O ATOM 0 H SER A 82 -5.387 -13.169 -11.474 1.00 0.70 H new ATOM 0 HA SER A 82 -5.008 -11.891 -8.787 1.00 0.66 H new ATOM 0 HB2 SER A 82 -6.794 -13.852 -9.511 1.00 0.73 H new ATOM 0 HB3 SER A 82 -5.418 -14.847 -9.077 1.00 0.73 H new ATOM 0 HG SER A 82 -6.606 -12.794 -7.441 1.00 0.95 H new ATOM 1196 N GLU A 83 -3.025 -13.967 -10.407 1.00 0.63 N ATOM 1197 CA GLU A 83 -1.625 -14.500 -10.415 1.00 0.61 C ATOM 1198 C GLU A 83 -0.622 -13.342 -10.323 1.00 0.55 C ATOM 1199 O GLU A 83 -0.343 -12.667 -11.300 1.00 0.63 O ATOM 1200 CB GLU A 83 -1.385 -15.292 -11.706 1.00 0.73 C ATOM 1201 CG GLU A 83 -1.461 -16.793 -11.406 1.00 0.90 C ATOM 1202 CD GLU A 83 -2.925 -17.244 -11.405 1.00 1.47 C ATOM 1203 OE1 GLU A 83 -3.553 -17.152 -10.361 1.00 1.91 O ATOM 1204 OE2 GLU A 83 -3.394 -17.673 -12.447 1.00 1.72 O ATOM 0 H GLU A 83 -3.570 -14.179 -11.243 1.00 0.63 H new ATOM 0 HA GLU A 83 -1.487 -15.157 -9.556 1.00 0.61 H new ATOM 0 HB2 GLU A 83 -2.130 -15.022 -12.455 1.00 0.73 H new ATOM 0 HB3 GLU A 83 -0.409 -15.042 -12.122 1.00 0.73 H new ATOM 0 HG2 GLU A 83 -0.898 -17.352 -12.153 1.00 0.90 H new ATOM 0 HG3 GLU A 83 -1.004 -17.004 -10.439 1.00 0.90 H new ATOM 1211 N LEU A 84 -0.083 -13.111 -9.148 1.00 0.47 N ATOM 1212 CA LEU A 84 0.903 -12.001 -8.961 1.00 0.48 C ATOM 1213 C LEU A 84 2.032 -12.459 -8.023 1.00 0.43 C ATOM 1214 O LEU A 84 1.952 -13.503 -7.396 1.00 0.46 O ATOM 1215 CB LEU A 84 0.193 -10.785 -8.352 1.00 0.52 C ATOM 1216 CG LEU A 84 -0.691 -10.116 -9.412 1.00 0.65 C ATOM 1217 CD1 LEU A 84 -1.933 -9.521 -8.744 1.00 0.95 C ATOM 1218 CD2 LEU A 84 0.099 -9.001 -10.108 1.00 0.58 C ATOM 0 H LEU A 84 -0.287 -13.649 -8.306 1.00 0.47 H new ATOM 0 HA LEU A 84 1.328 -11.730 -9.928 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -0.414 -11.095 -7.502 1.00 0.52 H new ATOM 0 HB3 LEU A 84 0.928 -10.073 -7.976 1.00 0.52 H new ATOM 0 HG LEU A 84 -0.997 -10.859 -10.148 1.00 0.65 H new ATOM 0 HD11 LEU A 84 -2.560 -9.046 -9.499 1.00 0.95 H new ATOM 0 HD12 LEU A 84 -2.496 -10.314 -8.251 1.00 0.95 H new ATOM 0 HD13 LEU A 84 -1.629 -8.779 -8.006 1.00 0.95 H new ATOM 0 HD21 LEU A 84 -0.529 -8.526 -10.861 1.00 0.58 H new ATOM 0 HD22 LEU A 84 0.407 -8.259 -9.371 1.00 0.58 H new ATOM 0 HD23 LEU A 84 0.982 -9.425 -10.587 1.00 0.58 H new ATOM 1230 N ARG A 85 3.084 -11.679 -7.928 1.00 0.48 N ATOM 1231 CA ARG A 85 4.235 -12.043 -7.041 1.00 0.46 C ATOM 1232 C ARG A 85 4.728 -10.796 -6.295 1.00 0.41 C ATOM 1233 O ARG A 85 4.494 -9.678 -6.717 1.00 0.41 O ATOM 1234 CB ARG A 85 5.376 -12.602 -7.894 1.00 0.50 C ATOM 1235 CG ARG A 85 5.248 -14.124 -7.990 1.00 0.77 C ATOM 1236 CD ARG A 85 5.523 -14.565 -9.429 1.00 0.68 C ATOM 1237 NE ARG A 85 5.395 -16.044 -9.530 1.00 1.18 N ATOM 1238 CZ ARG A 85 6.335 -16.742 -10.107 1.00 1.53 C ATOM 1239 NH1 ARG A 85 6.440 -16.743 -11.411 1.00 1.76 N ATOM 1240 NH2 ARG A 85 7.173 -17.430 -9.379 1.00 1.97 N ATOM 0 H ARG A 85 3.195 -10.799 -8.431 1.00 0.48 H new ATOM 0 HA ARG A 85 3.911 -12.793 -6.320 1.00 0.46 H new ATOM 0 HB2 ARG A 85 5.348 -12.161 -8.890 1.00 0.50 H new ATOM 0 HB3 ARG A 85 6.337 -12.335 -7.454 1.00 0.50 H new ATOM 0 HG2 ARG A 85 5.952 -14.603 -7.310 1.00 0.77 H new ATOM 0 HG3 ARG A 85 4.249 -14.436 -7.686 1.00 0.77 H new ATOM 0 HD2 ARG A 85 4.821 -14.082 -10.109 1.00 0.68 H new ATOM 0 HD3 ARG A 85 6.524 -14.255 -9.730 1.00 0.68 H new ATOM 0 HE ARG A 85 4.573 -16.512 -9.148 1.00 1.18 H new ATOM 0 HH11 ARG A 85 5.788 -16.199 -11.976 1.00 1.76 H new ATOM 0 HH12 ARG A 85 7.174 -17.288 -11.863 1.00 1.76 H new ATOM 0 HH21 ARG A 85 7.092 -17.421 -8.362 1.00 1.97 H new ATOM 0 HH22 ARG A 85 7.909 -17.976 -9.827 1.00 1.97 H new ATOM 1254 N LEU A 86 5.413 -10.984 -5.191 1.00 0.44 N ATOM 1255 CA LEU A 86 5.927 -9.816 -4.414 1.00 0.42 C ATOM 1256 C LEU A 86 7.445 -9.695 -4.596 1.00 0.43 C ATOM 1257 O LEU A 86 8.187 -10.636 -4.372 1.00 0.57 O ATOM 1258 CB LEU A 86 5.602 -9.997 -2.928 1.00 0.49 C ATOM 1259 CG LEU A 86 5.723 -8.646 -2.217 1.00 0.58 C ATOM 1260 CD1 LEU A 86 4.347 -8.198 -1.717 1.00 0.73 C ATOM 1261 CD2 LEU A 86 6.679 -8.779 -1.029 1.00 0.78 C ATOM 0 H LEU A 86 5.637 -11.897 -4.796 1.00 0.44 H new ATOM 0 HA LEU A 86 5.448 -8.908 -4.780 1.00 0.42 H new ATOM 0 HB2 LEU A 86 4.594 -10.394 -2.810 1.00 0.49 H new ATOM 0 HB3 LEU A 86 6.284 -10.720 -2.480 1.00 0.49 H new ATOM 0 HG LEU A 86 6.110 -7.905 -2.916 1.00 0.58 H new ATOM 0 HD11 LEU A 86 4.439 -7.236 -1.212 1.00 0.73 H new ATOM 0 HD12 LEU A 86 3.667 -8.100 -2.563 1.00 0.73 H new ATOM 0 HD13 LEU A 86 3.955 -8.938 -1.020 1.00 0.73 H new ATOM 0 HD21 LEU A 86 6.766 -7.818 -0.522 1.00 0.78 H new ATOM 0 HD22 LEU A 86 6.292 -9.523 -0.332 1.00 0.78 H new ATOM 0 HD23 LEU A 86 7.661 -9.091 -1.385 1.00 0.78 H new ATOM 1273 N ILE A 87 7.904 -8.531 -4.995 1.00 0.42 N ATOM 1274 CA ILE A 87 9.369 -8.310 -5.196 1.00 0.48 C ATOM 1275 C ILE A 87 9.782 -6.998 -4.501 1.00 0.46 C ATOM 1276 O ILE A 87 9.139 -5.979 -4.677 1.00 0.43 O ATOM 1277 CB ILE A 87 9.673 -8.238 -6.703 1.00 0.52 C ATOM 1278 CG1 ILE A 87 11.159 -7.923 -6.920 1.00 0.65 C ATOM 1279 CG2 ILE A 87 8.819 -7.149 -7.364 1.00 0.53 C ATOM 1280 CD1 ILE A 87 11.576 -8.343 -8.333 1.00 0.70 C ATOM 0 H ILE A 87 7.319 -7.719 -5.191 1.00 0.42 H new ATOM 0 HA ILE A 87 9.935 -9.135 -4.763 1.00 0.48 H new ATOM 0 HB ILE A 87 9.436 -9.201 -7.154 1.00 0.52 H new ATOM 0 HG12 ILE A 87 11.339 -6.857 -6.779 1.00 0.65 H new ATOM 0 HG13 ILE A 87 11.764 -8.449 -6.181 1.00 0.65 H new ATOM 0 HG21 ILE A 87 9.043 -7.108 -8.430 1.00 0.53 H new ATOM 0 HG22 ILE A 87 7.763 -7.380 -7.224 1.00 0.53 H new ATOM 0 HG23 ILE A 87 9.043 -6.184 -6.909 1.00 0.53 H new ATOM 0 HD11 ILE A 87 12.632 -8.118 -8.483 1.00 0.70 H new ATOM 0 HD12 ILE A 87 11.412 -9.413 -8.458 1.00 0.70 H new ATOM 0 HD13 ILE A 87 10.981 -7.797 -9.065 1.00 0.70 H new ATOM 1292 N PRO A 88 10.844 -7.064 -3.723 1.00 0.58 N ATOM 1293 CA PRO A 88 11.362 -5.894 -2.984 1.00 0.63 C ATOM 1294 C PRO A 88 12.090 -4.926 -3.931 1.00 0.67 C ATOM 1295 O PRO A 88 13.284 -5.035 -4.157 1.00 0.88 O ATOM 1296 CB PRO A 88 12.317 -6.513 -1.955 1.00 0.81 C ATOM 1297 CG PRO A 88 12.719 -7.899 -2.509 1.00 0.86 C ATOM 1298 CD PRO A 88 11.623 -8.304 -3.513 1.00 0.72 C ATOM 0 HA PRO A 88 10.578 -5.299 -2.516 1.00 0.63 H new ATOM 0 HB2 PRO A 88 13.195 -5.883 -1.812 1.00 0.81 H new ATOM 0 HB3 PRO A 88 11.832 -6.609 -0.984 1.00 0.81 H new ATOM 0 HG2 PRO A 88 13.693 -7.854 -2.996 1.00 0.86 H new ATOM 0 HG3 PRO A 88 12.798 -8.630 -1.705 1.00 0.86 H new ATOM 0 HD2 PRO A 88 12.053 -8.667 -4.447 1.00 0.72 H new ATOM 0 HD3 PRO A 88 10.998 -9.105 -3.118 1.00 0.72 H new ATOM 1306 N ARG A 89 11.368 -3.978 -4.483 1.00 0.66 N ATOM 1307 CA ARG A 89 11.986 -2.985 -5.415 1.00 0.77 C ATOM 1308 C ARG A 89 12.133 -1.645 -4.693 1.00 0.99 C ATOM 1309 O ARG A 89 11.165 -0.939 -4.465 1.00 1.03 O ATOM 1310 CB ARG A 89 11.090 -2.807 -6.642 1.00 0.76 C ATOM 1311 CG ARG A 89 11.123 -4.081 -7.488 1.00 0.83 C ATOM 1312 CD ARG A 89 12.203 -3.951 -8.566 1.00 1.30 C ATOM 1313 NE ARG A 89 11.721 -3.057 -9.662 1.00 1.47 N ATOM 1314 CZ ARG A 89 10.872 -3.505 -10.555 1.00 2.19 C ATOM 1315 NH1 ARG A 89 11.062 -4.675 -11.113 1.00 3.00 N ATOM 1316 NH2 ARG A 89 9.836 -2.780 -10.893 1.00 2.59 N ATOM 0 H ARG A 89 10.368 -3.851 -4.325 1.00 0.66 H new ATOM 0 HA ARG A 89 12.966 -3.342 -5.733 1.00 0.77 H new ATOM 0 HB2 ARG A 89 10.068 -2.591 -6.331 1.00 0.76 H new ATOM 0 HB3 ARG A 89 11.430 -1.957 -7.233 1.00 0.76 H new ATOM 0 HG2 ARG A 89 11.328 -4.945 -6.856 1.00 0.83 H new ATOM 0 HG3 ARG A 89 10.150 -4.248 -7.951 1.00 0.83 H new ATOM 0 HD2 ARG A 89 13.117 -3.547 -8.131 1.00 1.30 H new ATOM 0 HD3 ARG A 89 12.448 -4.934 -8.968 1.00 1.30 H new ATOM 0 HE ARG A 89 12.054 -2.094 -9.716 1.00 1.47 H new ATOM 0 HH11 ARG A 89 11.871 -5.239 -10.853 1.00 3.00 H new ATOM 0 HH12 ARG A 89 10.401 -5.022 -11.808 1.00 3.00 H new ATOM 0 HH21 ARG A 89 9.690 -1.867 -10.462 1.00 2.59 H new ATOM 0 HH22 ARG A 89 9.175 -3.128 -11.588 1.00 2.59 H new ATOM 1330 N ASP A 90 13.342 -1.296 -4.327 1.00 1.29 N ATOM 1331 CA ASP A 90 13.580 -0.007 -3.608 1.00 1.55 C ATOM 1332 C ASP A 90 13.415 1.191 -4.559 1.00 2.00 C ATOM 1333 O ASP A 90 13.233 2.310 -4.117 1.00 2.36 O ATOM 1334 CB ASP A 90 15.003 0.001 -3.046 1.00 2.02 C ATOM 1335 CG ASP A 90 14.972 0.278 -1.538 1.00 2.61 C ATOM 1336 OD1 ASP A 90 14.732 -0.655 -0.788 1.00 2.79 O ATOM 1337 OD2 ASP A 90 15.194 1.416 -1.161 1.00 3.17 O ATOM 0 H ASP A 90 14.179 -1.853 -4.497 1.00 1.29 H new ATOM 0 HA ASP A 90 12.850 0.079 -2.803 1.00 1.55 H new ATOM 0 HB2 ASP A 90 15.483 -0.958 -3.238 1.00 2.02 H new ATOM 0 HB3 ASP A 90 15.598 0.762 -3.551 1.00 2.02 H new ATOM 1342 N ARG A 91 13.491 0.971 -5.854 1.00 2.15 N ATOM 1343 CA ARG A 91 13.354 2.105 -6.828 1.00 2.67 C ATOM 1344 C ARG A 91 12.220 1.827 -7.820 1.00 2.46 C ATOM 1345 O ARG A 91 11.566 0.799 -7.770 1.00 2.05 O ATOM 1346 CB ARG A 91 14.657 2.247 -7.617 1.00 3.07 C ATOM 1347 CG ARG A 91 15.446 3.459 -7.119 1.00 3.69 C ATOM 1348 CD ARG A 91 16.618 3.015 -6.237 1.00 4.46 C ATOM 1349 NE ARG A 91 17.098 1.660 -6.636 1.00 5.33 N ATOM 1350 CZ ARG A 91 16.980 0.668 -5.798 1.00 6.03 C ATOM 1351 NH1 ARG A 91 17.652 0.687 -4.680 1.00 6.59 N ATOM 1352 NH2 ARG A 91 16.186 -0.331 -6.069 1.00 6.45 N ATOM 0 H ARG A 91 13.642 0.055 -6.277 1.00 2.15 H new ATOM 0 HA ARG A 91 13.135 3.017 -6.272 1.00 2.67 H new ATOM 0 HB2 ARG A 91 15.257 1.344 -7.508 1.00 3.07 H new ATOM 0 HB3 ARG A 91 14.438 2.358 -8.679 1.00 3.07 H new ATOM 0 HG2 ARG A 91 15.820 4.031 -7.969 1.00 3.69 H new ATOM 0 HG3 ARG A 91 14.789 4.120 -6.554 1.00 3.69 H new ATOM 0 HD2 ARG A 91 17.434 3.733 -6.319 1.00 4.46 H new ATOM 0 HD3 ARG A 91 16.308 3.003 -5.192 1.00 4.46 H new ATOM 0 HE ARG A 91 17.514 1.511 -7.555 1.00 5.33 H new ATOM 0 HH11 ARG A 91 18.264 1.474 -4.466 1.00 6.59 H new ATOM 0 HH12 ARG A 91 17.565 -0.085 -4.019 1.00 6.59 H new ATOM 0 HH21 ARG A 91 15.654 -0.338 -6.939 1.00 6.45 H new ATOM 0 HH22 ARG A 91 16.097 -1.105 -5.410 1.00 6.45 H new ATOM 1366 N VAL A 92 12.001 2.743 -8.736 1.00 2.88 N ATOM 1367 CA VAL A 92 10.930 2.561 -9.767 1.00 2.96 C ATOM 1368 C VAL A 92 11.494 1.780 -10.964 1.00 2.73 C ATOM 1369 O VAL A 92 10.748 1.250 -11.767 1.00 2.73 O ATOM 1370 CB VAL A 92 10.431 3.932 -10.250 1.00 3.57 C ATOM 1371 CG1 VAL A 92 9.894 4.737 -9.062 1.00 3.86 C ATOM 1372 CG2 VAL A 92 11.582 4.706 -10.910 1.00 3.81 C ATOM 0 H VAL A 92 12.524 3.616 -8.813 1.00 2.88 H new ATOM 0 HA VAL A 92 10.101 2.008 -9.324 1.00 2.96 H new ATOM 0 HB VAL A 92 9.633 3.781 -10.977 1.00 3.57 H new ATOM 0 HG11 VAL A 92 9.542 5.708 -9.410 1.00 3.86 H new ATOM 0 HG12 VAL A 92 9.069 4.196 -8.599 1.00 3.86 H new ATOM 0 HG13 VAL A 92 10.689 4.881 -8.331 1.00 3.86 H new ATOM 0 HG21 VAL A 92 11.220 5.676 -11.250 1.00 3.81 H new ATOM 0 HG22 VAL A 92 12.385 4.851 -10.187 1.00 3.81 H new ATOM 0 HG23 VAL A 92 11.959 4.141 -11.762 1.00 3.81 H new ATOM 1382 N GLY A 93 12.803 1.714 -11.093 1.00 2.70 N ATOM 1383 CA GLY A 93 13.417 0.979 -12.236 1.00 2.56 C ATOM 1384 C GLY A 93 13.856 -0.413 -11.779 1.00 2.14 C ATOM 1385 O GLY A 93 13.276 -1.413 -12.163 1.00 2.06 O ATOM 0 H GLY A 93 13.469 2.142 -10.450 1.00 2.70 H new ATOM 0 HA2 GLY A 93 12.701 0.895 -13.053 1.00 2.56 H new ATOM 0 HA3 GLY A 93 14.274 1.533 -12.619 1.00 2.56 H new ATOM 1389 N HIS A 94 14.885 -0.477 -10.965 1.00 2.07 N ATOM 1390 CA HIS A 94 15.390 -1.798 -10.475 1.00 1.82 C ATOM 1391 C HIS A 94 15.706 -1.702 -8.972 1.00 1.96 C ATOM 1392 O HIS A 94 16.806 -1.288 -8.627 1.00 2.47 O ATOM 1393 CB HIS A 94 16.657 -2.172 -11.259 1.00 2.06 C ATOM 1394 CG HIS A 94 16.391 -3.379 -12.112 1.00 2.16 C ATOM 1395 ND1 HIS A 94 15.711 -3.298 -13.317 1.00 2.40 N ATOM 1396 CD2 HIS A 94 16.720 -4.701 -11.955 1.00 2.44 C ATOM 1397 CE1 HIS A 94 15.655 -4.539 -13.834 1.00 2.81 C ATOM 1398 NE2 HIS A 94 16.255 -5.432 -13.044 1.00 2.82 N ATOM 1399 OXT HIS A 94 14.835 -2.039 -8.186 1.00 1.74 O ATOM 0 H HIS A 94 15.398 0.334 -10.618 1.00 2.07 H new ATOM 0 HA HIS A 94 14.632 -2.566 -10.627 1.00 1.82 H new ATOM 0 HB2 HIS A 94 16.969 -1.335 -11.884 1.00 2.06 H new ATOM 0 HB3 HIS A 94 17.475 -2.377 -10.569 1.00 2.06 H new ATOM 0 HD2 HIS A 94 17.258 -5.112 -11.114 1.00 2.44 H new ATOM 0 HE1 HIS A 94 15.182 -4.783 -14.774 1.00 2.81 H new ATOM 0 HE2 HIS A 94 16.352 -6.435 -13.204 1.00 2.82 H new TER 1407 HIS A 94