USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 837 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 68 GLN : amide:sc= -0.713 K(o=-1.2,f=-7.8!) USER MOD Set 1.2: A 73 CYS SG : rot 180:sc= -0.536 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 28 ASN : amide:sc= 0.286 K(o=0.29,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -117:sc= -0.364 (180deg=-1.32) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 0.479 (180deg=0.0879) USER MOD Single : A 55 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=-0.26) USER MOD Single : A 57 THR OG1 : rot -69:sc= 1.11 USER MOD Single : A 64 HIS : no HD1:sc= -0.381 K(o=-0.38,f=-1.5) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 88 TYR OH : rot -31:sc= 0.365 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot -54:sc= -2.19! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 90:sc= 0.00355 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -175:sc= -0.878 (180deg=-0.93) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -43:sc= 0.834 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.573 21.875 -5.977 1.00 0.00 N ATOM 2 CA GLY A 1 -10.292 21.508 -6.554 1.00 0.00 C ATOM 3 C GLY A 1 -10.395 21.176 -8.029 1.00 0.00 C ATOM 4 O GLY A 1 -10.256 20.018 -8.423 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.449 22.093 -4.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.948 22.711 -6.468 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.240 21.084 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.587 22.328 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.889 20.649 -6.019 1.00 0.00 H new ATOM 8 N SER A 2 -10.641 22.194 -8.848 1.00 0.00 N ATOM 9 CA SER A 2 -10.768 22.003 -10.288 1.00 0.00 C ATOM 10 C SER A 2 -9.539 22.538 -11.017 1.00 0.00 C ATOM 11 O SER A 2 -8.722 23.253 -10.437 1.00 0.00 O ATOM 12 CB SER A 2 -12.026 22.701 -10.807 1.00 0.00 C ATOM 13 OG SER A 2 -12.342 23.836 -10.019 1.00 0.00 O ATOM 0 H SER A 2 -10.756 23.159 -8.539 1.00 0.00 H new ATOM 0 HA SER A 2 -10.848 20.933 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.876 23.004 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.863 22.003 -10.797 1.00 0.00 H new ATOM 0 HG SER A 2 -13.149 24.265 -10.373 1.00 0.00 H new ATOM 19 N SER A 3 -9.415 22.185 -12.293 1.00 0.00 N ATOM 20 CA SER A 3 -8.285 22.625 -13.101 1.00 0.00 C ATOM 21 C SER A 3 -8.758 23.167 -14.447 1.00 0.00 C ATOM 22 O SER A 3 -8.529 24.331 -14.775 1.00 0.00 O ATOM 23 CB SER A 3 -7.306 21.469 -13.320 1.00 0.00 C ATOM 24 OG SER A 3 -7.883 20.233 -12.936 1.00 0.00 O ATOM 0 H SER A 3 -10.084 21.595 -12.789 1.00 0.00 H new ATOM 0 HA SER A 3 -7.776 23.426 -12.564 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.016 21.428 -14.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.397 21.644 -12.745 1.00 0.00 H new ATOM 0 HG SER A 3 -7.239 19.510 -13.087 1.00 0.00 H new ATOM 30 N GLY A 4 -9.419 22.314 -15.222 1.00 0.00 N ATOM 31 CA GLY A 4 -9.914 22.724 -16.523 1.00 0.00 C ATOM 32 C GLY A 4 -8.829 22.729 -17.582 1.00 0.00 C ATOM 33 O GLY A 4 -8.489 21.684 -18.136 1.00 0.00 O ATOM 0 H GLY A 4 -9.621 21.346 -14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.715 22.052 -16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.346 23.722 -16.446 1.00 0.00 H new ATOM 37 N SER A 5 -8.285 23.908 -17.864 1.00 0.00 N ATOM 38 CA SER A 5 -7.236 24.046 -18.867 1.00 0.00 C ATOM 39 C SER A 5 -6.507 25.378 -18.712 1.00 0.00 C ATOM 40 O SER A 5 -7.018 26.426 -19.106 1.00 0.00 O ATOM 41 CB SER A 5 -7.828 23.936 -20.273 1.00 0.00 C ATOM 42 OG SER A 5 -7.353 22.777 -20.937 1.00 0.00 O ATOM 0 H SER A 5 -8.553 24.782 -17.412 1.00 0.00 H new ATOM 0 HA SER A 5 -6.518 23.240 -18.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.916 23.904 -20.212 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.568 24.823 -20.851 1.00 0.00 H new ATOM 0 HG SER A 5 -7.747 22.729 -21.833 1.00 0.00 H new ATOM 48 N SER A 6 -5.311 25.327 -18.136 1.00 0.00 N ATOM 49 CA SER A 6 -4.512 26.529 -17.926 1.00 0.00 C ATOM 50 C SER A 6 -3.141 26.177 -17.358 1.00 0.00 C ATOM 51 O SER A 6 -2.949 26.144 -16.143 1.00 0.00 O ATOM 52 CB SER A 6 -5.237 27.489 -16.980 1.00 0.00 C ATOM 53 OG SER A 6 -6.078 26.784 -16.084 1.00 0.00 O ATOM 0 H SER A 6 -4.873 24.467 -17.806 1.00 0.00 H new ATOM 0 HA SER A 6 -4.372 27.016 -18.891 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.507 28.070 -16.417 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.830 28.197 -17.559 1.00 0.00 H new ATOM 0 HG SER A 6 -6.528 27.420 -15.489 1.00 0.00 H new ATOM 59 N GLY A 7 -2.188 25.915 -18.248 1.00 0.00 N ATOM 60 CA GLY A 7 -0.846 25.569 -17.817 1.00 0.00 C ATOM 61 C GLY A 7 0.040 26.787 -17.647 1.00 0.00 C ATOM 62 O GLY A 7 1.084 26.898 -18.289 1.00 0.00 O ATOM 0 H GLY A 7 -2.321 25.936 -19.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.899 25.028 -16.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.396 24.895 -18.546 1.00 0.00 H new ATOM 66 N ARG A 8 -0.377 27.703 -16.779 1.00 0.00 N ATOM 67 CA ARG A 8 0.385 28.921 -16.528 1.00 0.00 C ATOM 68 C ARG A 8 1.076 28.859 -15.169 1.00 0.00 C ATOM 69 O ARG A 8 0.518 28.346 -14.198 1.00 0.00 O ATOM 70 CB ARG A 8 -0.532 30.144 -16.591 1.00 0.00 C ATOM 71 CG ARG A 8 0.100 31.345 -17.274 1.00 0.00 C ATOM 72 CD ARG A 8 -0.946 32.372 -17.676 1.00 0.00 C ATOM 73 NE ARG A 8 -1.167 33.366 -16.629 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.031 34.370 -16.739 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.751 34.511 -17.843 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.176 35.234 -15.742 1.00 0.00 N ATOM 0 H ARG A 8 -1.238 27.625 -16.238 1.00 0.00 H new ATOM 0 HA ARG A 8 1.148 29.008 -17.301 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.446 29.875 -17.120 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.821 30.423 -15.578 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.825 31.806 -16.604 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.647 31.016 -18.158 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.629 32.873 -18.591 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.885 31.865 -17.899 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.629 33.285 -15.766 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.643 33.848 -18.611 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.413 35.282 -17.925 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.624 35.128 -14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.839 36.004 -15.827 1.00 0.00 H new ATOM 90 N THR A 9 2.296 29.384 -15.107 1.00 0.00 N ATOM 91 CA THR A 9 3.064 29.387 -13.869 1.00 0.00 C ATOM 92 C THR A 9 3.441 30.806 -13.459 1.00 0.00 C ATOM 93 O THR A 9 2.992 31.305 -12.427 1.00 0.00 O ATOM 94 CB THR A 9 4.347 28.546 -14.001 1.00 0.00 C ATOM 95 OG1 THR A 9 4.030 27.247 -14.514 1.00 0.00 O ATOM 96 CG2 THR A 9 5.047 28.409 -12.657 1.00 0.00 C ATOM 0 H THR A 9 2.773 29.813 -15.900 1.00 0.00 H new ATOM 0 HA THR A 9 2.427 28.947 -13.102 1.00 0.00 H new ATOM 0 HB THR A 9 5.019 29.056 -14.691 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.851 26.719 -14.597 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.950 27.811 -12.777 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.313 29.398 -12.283 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.380 27.920 -11.947 1.00 0.00 H new ATOM 104 N SER A 10 4.268 31.453 -14.274 1.00 0.00 N ATOM 105 CA SER A 10 4.708 32.815 -13.995 1.00 0.00 C ATOM 106 C SER A 10 5.452 32.883 -12.665 1.00 0.00 C ATOM 107 O SER A 10 5.740 31.857 -12.049 1.00 0.00 O ATOM 108 CB SER A 10 3.510 33.766 -13.971 1.00 0.00 C ATOM 109 OG SER A 10 3.891 35.076 -14.351 1.00 0.00 O ATOM 0 H SER A 10 4.647 31.056 -15.133 1.00 0.00 H new ATOM 0 HA SER A 10 5.389 33.120 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.737 33.399 -14.646 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.077 33.786 -12.971 1.00 0.00 H new ATOM 0 HG SER A 10 3.107 35.664 -14.329 1.00 0.00 H new ATOM 115 N ALA A 11 5.760 34.100 -12.228 1.00 0.00 N ATOM 116 CA ALA A 11 6.468 34.304 -10.970 1.00 0.00 C ATOM 117 C ALA A 11 5.541 34.877 -9.904 1.00 0.00 C ATOM 118 O ALA A 11 4.890 35.900 -10.120 1.00 0.00 O ATOM 119 CB ALA A 11 7.664 35.220 -11.181 1.00 0.00 C ATOM 0 H ALA A 11 5.530 34.960 -12.727 1.00 0.00 H new ATOM 0 HA ALA A 11 6.824 33.335 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.184 35.364 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.345 34.769 -11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.322 36.184 -11.557 1.00 0.00 H new ATOM 125 N MET A 12 5.485 34.212 -8.755 1.00 0.00 N ATOM 126 CA MET A 12 4.637 34.658 -7.656 1.00 0.00 C ATOM 127 C MET A 12 5.325 34.433 -6.313 1.00 0.00 C ATOM 128 O MET A 12 6.203 33.578 -6.189 1.00 0.00 O ATOM 129 CB MET A 12 3.297 33.920 -7.685 1.00 0.00 C ATOM 130 CG MET A 12 2.109 34.802 -7.339 1.00 0.00 C ATOM 131 SD MET A 12 0.762 34.652 -8.528 1.00 0.00 S ATOM 132 CE MET A 12 1.290 35.811 -9.787 1.00 0.00 C ATOM 0 H MET A 12 6.016 33.363 -8.561 1.00 0.00 H new ATOM 0 HA MET A 12 4.458 35.726 -7.779 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.147 33.496 -8.678 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.336 33.086 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.743 34.539 -6.347 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.434 35.841 -7.294 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.557 35.831 -10.593 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.378 36.806 -9.351 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.257 35.502 -10.183 1.00 0.00 H new ATOM 142 N LEU A 13 4.921 35.205 -5.310 1.00 0.00 N ATOM 143 CA LEU A 13 5.499 35.090 -3.975 1.00 0.00 C ATOM 144 C LEU A 13 4.416 34.826 -2.934 1.00 0.00 C ATOM 145 O LEU A 13 4.145 35.667 -2.076 1.00 0.00 O ATOM 146 CB LEU A 13 6.266 36.364 -3.619 1.00 0.00 C ATOM 147 CG LEU A 13 7.357 36.788 -4.602 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.801 37.761 -5.630 1.00 0.00 C ATOM 149 CD2 LEU A 13 8.532 37.408 -3.860 1.00 0.00 C ATOM 0 H LEU A 13 4.196 35.917 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 13 6.189 34.246 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.550 37.181 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.722 36.228 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 13 7.711 35.900 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.592 38.052 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.993 37.283 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.419 38.647 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.299 37.704 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.192 38.285 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.947 36.680 -3.163 1.00 0.00 H new ATOM 161 N THR A 14 3.800 33.650 -3.013 1.00 0.00 N ATOM 162 CA THR A 14 2.748 33.274 -2.077 1.00 0.00 C ATOM 163 C THR A 14 2.716 31.766 -1.863 1.00 0.00 C ATOM 164 O THR A 14 3.210 31.000 -2.691 1.00 0.00 O ATOM 165 CB THR A 14 1.365 33.741 -2.569 1.00 0.00 C ATOM 166 OG1 THR A 14 1.491 34.394 -3.838 1.00 0.00 O ATOM 167 CG2 THR A 14 0.725 34.689 -1.567 1.00 0.00 C ATOM 0 H THR A 14 4.012 32.942 -3.716 1.00 0.00 H new ATOM 0 HA THR A 14 2.975 33.767 -1.132 1.00 0.00 H new ATOM 0 HB THR A 14 0.726 32.864 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.607 34.686 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.250 35.005 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.603 34.180 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.363 35.563 -1.434 1.00 0.00 H new ATOM 175 N VAL A 15 2.130 31.343 -0.746 1.00 0.00 N ATOM 176 CA VAL A 15 2.032 29.925 -0.424 1.00 0.00 C ATOM 177 C VAL A 15 0.576 29.489 -0.302 1.00 0.00 C ATOM 178 O VAL A 15 -0.249 30.199 0.273 1.00 0.00 O ATOM 179 CB VAL A 15 2.768 29.595 0.888 1.00 0.00 C ATOM 180 CG1 VAL A 15 2.078 30.261 2.069 1.00 0.00 C ATOM 181 CG2 VAL A 15 2.850 28.089 1.089 1.00 0.00 C ATOM 0 H VAL A 15 1.716 31.963 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 15 2.504 29.381 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 15 3.783 29.986 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.612 30.017 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.076 31.342 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.051 29.902 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.373 27.874 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.844 27.673 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.392 27.640 0.257 1.00 0.00 H new ATOM 191 N ARG A 16 0.268 28.316 -0.845 1.00 0.00 N ATOM 192 CA ARG A 16 -1.089 27.784 -0.798 1.00 0.00 C ATOM 193 C ARG A 16 -1.073 26.265 -0.662 1.00 0.00 C ATOM 194 O ARG A 16 -0.046 25.623 -0.879 1.00 0.00 O ATOM 195 CB ARG A 16 -1.861 28.187 -2.055 1.00 0.00 C ATOM 196 CG ARG A 16 -2.427 29.597 -1.997 1.00 0.00 C ATOM 197 CD ARG A 16 -3.718 29.646 -1.195 1.00 0.00 C ATOM 198 NE ARG A 16 -4.874 29.241 -1.992 1.00 0.00 N ATOM 199 CZ ARG A 16 -6.113 29.191 -1.517 1.00 0.00 C ATOM 200 NH1 ARG A 16 -6.357 29.519 -0.256 1.00 0.00 N ATOM 201 NH2 ARG A 16 -7.112 28.813 -2.305 1.00 0.00 N ATOM 0 H ARG A 16 0.940 27.715 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.587 28.204 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.201 28.105 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.678 27.483 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.693 30.267 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.612 29.958 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.630 28.993 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.873 30.657 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.721 28.983 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.592 29.811 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.310 29.480 0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.928 28.561 -3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.063 28.775 -1.939 1.00 0.00 H new ATOM 215 N ALA A 17 -2.219 25.696 -0.301 1.00 0.00 N ATOM 216 CA ALA A 17 -2.337 24.253 -0.138 1.00 0.00 C ATOM 217 C ALA A 17 -3.016 23.617 -1.347 1.00 0.00 C ATOM 218 O ALA A 17 -4.225 23.383 -1.342 1.00 0.00 O ATOM 219 CB ALA A 17 -3.107 23.926 1.133 1.00 0.00 C ATOM 0 H ALA A 17 -3.079 26.213 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.332 23.839 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.187 22.844 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.581 24.339 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.105 24.360 1.075 1.00 0.00 H new ATOM 225 N LEU A 18 -2.231 23.341 -2.383 1.00 0.00 N ATOM 226 CA LEU A 18 -2.757 22.733 -3.601 1.00 0.00 C ATOM 227 C LEU A 18 -2.997 21.240 -3.404 1.00 0.00 C ATOM 228 O LEU A 18 -2.432 20.608 -2.511 1.00 0.00 O ATOM 229 CB LEU A 18 -1.789 22.956 -4.764 1.00 0.00 C ATOM 230 CG LEU A 18 -1.901 24.302 -5.482 1.00 0.00 C ATOM 231 CD1 LEU A 18 -3.259 24.437 -6.153 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.670 25.447 -4.507 1.00 0.00 C ATOM 0 H LEU A 18 -1.229 23.528 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.710 23.208 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.771 22.851 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.943 22.163 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.131 24.347 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.321 25.401 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.386 23.636 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.045 24.371 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.753 26.397 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.417 25.406 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.674 25.360 -4.073 1.00 0.00 H new ATOM 244 N PRO A 19 -3.854 20.661 -4.257 1.00 0.00 N ATOM 245 CA PRO A 19 -4.187 19.234 -4.199 1.00 0.00 C ATOM 246 C PRO A 19 -3.019 18.349 -4.618 1.00 0.00 C ATOM 247 O PRO A 19 -2.192 18.745 -5.440 1.00 0.00 O ATOM 248 CB PRO A 19 -5.344 19.099 -5.193 1.00 0.00 C ATOM 249 CG PRO A 19 -5.158 20.228 -6.147 1.00 0.00 C ATOM 250 CD PRO A 19 -4.564 21.354 -5.346 1.00 0.00 C ATOM 0 HA PRO A 19 -4.437 18.915 -3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.315 18.138 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.308 19.162 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.499 19.942 -6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.108 20.524 -6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.885 21.960 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.334 22.023 -4.962 1.00 0.00 H new ATOM 258 N ILE A 20 -2.957 17.150 -4.049 1.00 0.00 N ATOM 259 CA ILE A 20 -1.890 16.209 -4.365 1.00 0.00 C ATOM 260 C ILE A 20 -2.412 15.048 -5.205 1.00 0.00 C ATOM 261 O ILE A 20 -3.401 14.406 -4.851 1.00 0.00 O ATOM 262 CB ILE A 20 -1.235 15.649 -3.088 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.674 16.789 -2.236 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.138 14.658 -3.446 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.240 16.353 -0.854 1.00 0.00 C ATOM 0 H ILE A 20 -3.633 16.807 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.142 16.761 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.994 15.125 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.177 17.233 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.431 17.568 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.315 14.271 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.565 13.833 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.623 15.158 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.147 17.212 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.093 15.936 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.540 15.596 -0.939 1.00 0.00 H new ATOM 277 N LYS A 21 -1.740 14.783 -6.320 1.00 0.00 N ATOM 278 CA LYS A 21 -2.133 13.697 -7.211 1.00 0.00 C ATOM 279 C LYS A 21 -1.052 12.623 -7.270 1.00 0.00 C ATOM 280 O LYS A 21 -0.059 12.687 -6.544 1.00 0.00 O ATOM 281 CB LYS A 21 -2.408 14.237 -8.617 1.00 0.00 C ATOM 282 CG LYS A 21 -1.162 14.730 -9.333 1.00 0.00 C ATOM 283 CD LYS A 21 -1.475 15.181 -10.750 1.00 0.00 C ATOM 284 CE LYS A 21 -2.104 16.565 -10.768 1.00 0.00 C ATOM 285 NZ LYS A 21 -3.031 16.738 -11.921 1.00 0.00 N ATOM 0 H LYS A 21 -0.920 15.306 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.045 13.249 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.874 13.453 -9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.126 15.055 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.724 15.558 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.418 13.934 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.559 15.189 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.151 14.467 -11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.647 16.729 -9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.319 17.320 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.439 17.694 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.508 16.607 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.794 16.034 -11.861 1.00 0.00 H new ATOM 299 N PHE A 22 -1.249 11.638 -8.140 1.00 0.00 N ATOM 300 CA PHE A 22 -0.290 10.550 -8.293 1.00 0.00 C ATOM 301 C PHE A 22 0.421 10.639 -9.640 1.00 0.00 C ATOM 302 O PHE A 22 -0.166 10.361 -10.686 1.00 0.00 O ATOM 303 CB PHE A 22 -0.995 9.198 -8.165 1.00 0.00 C ATOM 304 CG PHE A 22 -0.991 8.651 -6.766 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.012 8.963 -5.883 1.00 0.00 C ATOM 306 CD2 PHE A 22 0.034 7.825 -6.334 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.012 8.461 -4.595 1.00 0.00 C ATOM 308 CE2 PHE A 22 0.040 7.319 -5.048 1.00 0.00 C ATOM 309 CZ PHE A 22 -0.984 7.639 -4.177 1.00 0.00 C ATOM 0 H PHE A 22 -2.064 11.571 -8.750 1.00 0.00 H new ATOM 0 HA PHE A 22 0.454 10.640 -7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.026 9.301 -8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.512 8.481 -8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.818 9.606 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.838 7.574 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.814 8.711 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.844 6.674 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.980 7.247 -3.171 1.00 0.00 H new ATOM 319 N THR A 23 1.692 11.030 -9.607 1.00 0.00 N ATOM 320 CA THR A 23 2.484 11.157 -10.824 1.00 0.00 C ATOM 321 C THR A 23 2.687 9.803 -11.492 1.00 0.00 C ATOM 322 O THR A 23 2.854 9.720 -12.709 1.00 0.00 O ATOM 323 CB THR A 23 3.860 11.785 -10.534 1.00 0.00 C ATOM 324 OG1 THR A 23 4.591 10.964 -9.617 1.00 0.00 O ATOM 325 CG2 THR A 23 3.706 13.185 -9.957 1.00 0.00 C ATOM 0 H THR A 23 2.194 11.264 -8.751 1.00 0.00 H new ATOM 0 HA THR A 23 1.928 11.810 -11.496 1.00 0.00 H new ATOM 0 HB THR A 23 4.407 11.855 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.465 11.370 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.691 13.608 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.176 13.816 -10.670 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.140 13.135 -9.027 1.00 0.00 H new ATOM 333 N GLU A 24 2.671 8.743 -10.690 1.00 0.00 N ATOM 334 CA GLU A 24 2.853 7.391 -11.206 1.00 0.00 C ATOM 335 C GLU A 24 2.211 6.364 -10.278 1.00 0.00 C ATOM 336 O GLU A 24 2.902 5.656 -9.546 1.00 0.00 O ATOM 337 CB GLU A 24 4.342 7.083 -11.374 1.00 0.00 C ATOM 338 CG GLU A 24 4.887 7.443 -12.747 1.00 0.00 C ATOM 339 CD GLU A 24 6.298 6.933 -12.966 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.497 5.701 -12.928 1.00 0.00 O ATOM 341 OE2 GLU A 24 7.203 7.767 -13.177 1.00 0.00 O ATOM 0 H GLU A 24 2.534 8.794 -9.681 1.00 0.00 H new ATOM 0 HA GLU A 24 2.365 7.331 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.905 7.626 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.507 6.021 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.232 7.029 -13.514 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.873 8.526 -12.867 1.00 0.00 H new ATOM 348 N GLY A 25 0.884 6.288 -10.316 1.00 0.00 N ATOM 349 CA GLY A 25 0.171 5.346 -9.474 1.00 0.00 C ATOM 350 C GLY A 25 0.569 3.909 -9.747 1.00 0.00 C ATOM 351 O GLY A 25 1.317 3.631 -10.685 1.00 0.00 O ATOM 0 H GLY A 25 0.290 6.862 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.364 5.581 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.901 5.460 -9.634 1.00 0.00 H new ATOM 355 N LEU A 26 0.070 2.992 -8.924 1.00 0.00 N ATOM 356 CA LEU A 26 0.380 1.575 -9.080 1.00 0.00 C ATOM 357 C LEU A 26 -0.111 1.056 -10.428 1.00 0.00 C ATOM 358 O LEU A 26 -1.073 1.577 -10.992 1.00 0.00 O ATOM 359 CB LEU A 26 -0.255 0.767 -7.947 1.00 0.00 C ATOM 360 CG LEU A 26 0.148 1.169 -6.528 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.921 0.751 -5.531 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.491 0.555 -6.161 1.00 0.00 C ATOM 0 H LEU A 26 -0.550 3.205 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 26 1.463 1.458 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.339 0.849 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.002 -0.283 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 26 0.245 2.254 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.617 1.045 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.863 1.238 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.051 -0.331 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.762 0.852 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.421 -0.531 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.253 0.904 -6.857 1.00 0.00 H new ATOM 374 N ARG A 27 0.554 0.024 -10.936 1.00 0.00 N ATOM 375 CA ARG A 27 0.185 -0.567 -12.217 1.00 0.00 C ATOM 376 C ARG A 27 0.091 -2.086 -12.108 1.00 0.00 C ATOM 377 O ARG A 27 0.459 -2.669 -11.089 1.00 0.00 O ATOM 378 CB ARG A 27 1.204 -0.184 -13.292 1.00 0.00 C ATOM 379 CG ARG A 27 2.633 -0.566 -12.940 1.00 0.00 C ATOM 380 CD ARG A 27 3.639 0.254 -13.733 1.00 0.00 C ATOM 381 NE ARG A 27 5.005 0.054 -13.255 1.00 0.00 N ATOM 382 CZ ARG A 27 5.489 0.620 -12.154 1.00 0.00 C ATOM 383 NH1 ARG A 27 4.721 1.415 -11.422 1.00 0.00 N ATOM 384 NH2 ARG A 27 6.742 0.389 -11.785 1.00 0.00 N ATOM 0 H ARG A 27 1.351 -0.420 -10.480 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.794 -0.179 -12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.929 -0.666 -14.230 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.155 0.892 -13.460 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.799 -0.415 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.787 -1.626 -13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.580 -0.019 -14.786 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.381 1.311 -13.663 1.00 0.00 H new ATOM 0 HE ARG A 27 5.621 -0.553 -13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.757 1.593 -11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.094 1.848 -10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.334 -0.223 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.113 0.823 -10.940 1.00 0.00 H new ATOM 398 N ASN A 28 -0.404 -2.721 -13.166 1.00 0.00 N ATOM 399 CA ASN A 28 -0.548 -4.172 -13.188 1.00 0.00 C ATOM 400 C ASN A 28 0.817 -4.853 -13.185 1.00 0.00 C ATOM 401 O ASN A 28 1.517 -4.867 -14.197 1.00 0.00 O ATOM 402 CB ASN A 28 -1.345 -4.607 -14.420 1.00 0.00 C ATOM 403 CG ASN A 28 -2.600 -3.779 -14.618 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.531 -2.594 -14.942 1.00 0.00 O ATOM 405 ND2 ASN A 28 -3.757 -4.403 -14.423 1.00 0.00 N ATOM 0 H ASN A 28 -0.712 -2.254 -14.019 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.087 -4.473 -12.290 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.715 -4.524 -15.305 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.618 -5.658 -14.321 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.635 -3.898 -14.541 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.767 -5.387 -14.155 1.00 0.00 H new ATOM 412 N GLU A 29 1.188 -5.418 -12.040 1.00 0.00 N ATOM 413 CA GLU A 29 2.469 -6.101 -11.906 1.00 0.00 C ATOM 414 C GLU A 29 2.287 -7.615 -11.967 1.00 0.00 C ATOM 415 O GLU A 29 1.169 -8.120 -11.870 1.00 0.00 O ATOM 416 CB GLU A 29 3.145 -5.711 -10.590 1.00 0.00 C ATOM 417 CG GLU A 29 4.412 -4.893 -10.776 1.00 0.00 C ATOM 418 CD GLU A 29 4.125 -3.446 -11.129 1.00 0.00 C ATOM 419 OE1 GLU A 29 3.586 -2.720 -10.268 1.00 0.00 O ATOM 420 OE2 GLU A 29 4.441 -3.040 -12.268 1.00 0.00 O ATOM 0 H GLU A 29 0.620 -5.416 -11.193 1.00 0.00 H new ATOM 0 HA GLU A 29 3.104 -5.794 -12.737 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.440 -5.141 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.386 -6.616 -10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.002 -4.930 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.018 -5.342 -11.563 1.00 0.00 H new ATOM 427 N GLU A 30 3.395 -8.332 -12.129 1.00 0.00 N ATOM 428 CA GLU A 30 3.357 -9.788 -12.205 1.00 0.00 C ATOM 429 C GLU A 30 4.610 -10.398 -11.584 1.00 0.00 C ATOM 430 O GLU A 30 5.730 -9.998 -11.900 1.00 0.00 O ATOM 431 CB GLU A 30 3.224 -10.242 -13.660 1.00 0.00 C ATOM 432 CG GLU A 30 2.966 -11.732 -13.812 1.00 0.00 C ATOM 433 CD GLU A 30 1.857 -12.034 -14.801 1.00 0.00 C ATOM 434 OE1 GLU A 30 1.635 -11.211 -15.714 1.00 0.00 O ATOM 435 OE2 GLU A 30 1.212 -13.095 -14.663 1.00 0.00 O ATOM 0 H GLU A 30 4.329 -7.929 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 30 2.489 -10.133 -11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.410 -9.691 -14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.136 -9.983 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.882 -12.224 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.706 -12.153 -12.841 1.00 0.00 H new ATOM 442 N ALA A 31 4.412 -11.368 -10.697 1.00 0.00 N ATOM 443 CA ALA A 31 5.525 -12.034 -10.032 1.00 0.00 C ATOM 444 C ALA A 31 5.341 -13.548 -10.037 1.00 0.00 C ATOM 445 O ALA A 31 4.257 -14.051 -10.333 1.00 0.00 O ATOM 446 CB ALA A 31 5.670 -11.523 -8.606 1.00 0.00 C ATOM 0 H ALA A 31 3.491 -11.710 -10.423 1.00 0.00 H new ATOM 0 HA ALA A 31 6.436 -11.803 -10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.505 -12.029 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.856 -10.449 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.753 -11.724 -8.052 1.00 0.00 H new ATOM 452 N THR A 32 6.407 -14.270 -9.707 1.00 0.00 N ATOM 453 CA THR A 32 6.364 -15.726 -9.676 1.00 0.00 C ATOM 454 C THR A 32 6.370 -16.246 -8.243 1.00 0.00 C ATOM 455 O THR A 32 6.932 -15.615 -7.347 1.00 0.00 O ATOM 456 CB THR A 32 7.553 -16.341 -10.438 1.00 0.00 C ATOM 457 OG1 THR A 32 7.654 -15.757 -11.741 1.00 0.00 O ATOM 458 CG2 THR A 32 7.396 -17.849 -10.562 1.00 0.00 C ATOM 0 H THR A 32 7.311 -13.870 -9.457 1.00 0.00 H new ATOM 0 HA THR A 32 5.436 -16.024 -10.164 1.00 0.00 H new ATOM 0 HB THR A 32 8.463 -16.133 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.413 -16.152 -12.219 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.248 -18.260 -11.104 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.350 -18.293 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.478 -18.076 -11.104 1.00 0.00 H new ATOM 466 N GLU A 33 5.743 -17.399 -8.033 1.00 0.00 N ATOM 467 CA GLU A 33 5.677 -18.002 -6.707 1.00 0.00 C ATOM 468 C GLU A 33 7.076 -18.212 -6.135 1.00 0.00 C ATOM 469 O GLU A 33 7.991 -18.630 -6.842 1.00 0.00 O ATOM 470 CB GLU A 33 4.932 -19.337 -6.766 1.00 0.00 C ATOM 471 CG GLU A 33 3.639 -19.349 -5.967 1.00 0.00 C ATOM 472 CD GLU A 33 3.045 -20.739 -5.840 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.505 -21.503 -4.966 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.120 -21.061 -6.615 1.00 0.00 O ATOM 0 H GLU A 33 5.274 -17.934 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 33 5.134 -17.320 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.708 -19.573 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.586 -20.125 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.827 -18.946 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.914 -18.690 -6.446 1.00 0.00 H new ATOM 481 N GLY A 34 7.233 -17.918 -4.848 1.00 0.00 N ATOM 482 CA GLY A 34 8.522 -18.080 -4.201 1.00 0.00 C ATOM 483 C GLY A 34 9.517 -17.014 -4.617 1.00 0.00 C ATOM 484 O GLY A 34 10.725 -17.194 -4.473 1.00 0.00 O ATOM 0 H GLY A 34 6.490 -17.570 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.389 -18.047 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.925 -19.063 -4.442 1.00 0.00 H new ATOM 488 N ALA A 35 9.007 -15.902 -5.136 1.00 0.00 N ATOM 489 CA ALA A 35 9.860 -14.803 -5.574 1.00 0.00 C ATOM 490 C ALA A 35 9.651 -13.567 -4.706 1.00 0.00 C ATOM 491 O ALA A 35 8.931 -13.610 -3.707 1.00 0.00 O ATOM 492 CB ALA A 35 9.590 -14.476 -7.035 1.00 0.00 C ATOM 0 H ALA A 35 8.008 -15.738 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 35 10.898 -15.117 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.233 -13.654 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.797 -15.353 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.546 -14.186 -7.156 1.00 0.00 H new ATOM 498 N THR A 36 10.286 -12.464 -5.092 1.00 0.00 N ATOM 499 CA THR A 36 10.171 -11.216 -4.348 1.00 0.00 C ATOM 500 C THR A 36 9.528 -10.127 -5.198 1.00 0.00 C ATOM 501 O THR A 36 10.142 -9.612 -6.132 1.00 0.00 O ATOM 502 CB THR A 36 11.547 -10.725 -3.859 1.00 0.00 C ATOM 503 OG1 THR A 36 12.278 -11.813 -3.282 1.00 0.00 O ATOM 504 CG2 THR A 36 11.391 -9.612 -2.833 1.00 0.00 C ATOM 0 H THR A 36 10.885 -12.410 -5.916 1.00 0.00 H new ATOM 0 HA THR A 36 9.538 -11.420 -3.484 1.00 0.00 H new ATOM 0 HB THR A 36 12.095 -10.333 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 36 13.152 -11.494 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.376 -9.281 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.859 -8.774 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.826 -9.982 -1.977 1.00 0.00 H new ATOM 512 N ALA A 37 8.289 -9.778 -4.867 1.00 0.00 N ATOM 513 CA ALA A 37 7.564 -8.747 -5.599 1.00 0.00 C ATOM 514 C ALA A 37 7.652 -7.403 -4.885 1.00 0.00 C ATOM 515 O ALA A 37 7.498 -7.324 -3.666 1.00 0.00 O ATOM 516 CB ALA A 37 6.109 -9.155 -5.784 1.00 0.00 C ATOM 0 H ALA A 37 7.766 -10.194 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 37 8.027 -8.639 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.579 -8.376 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.061 -10.089 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.643 -9.293 -4.808 1.00 0.00 H new ATOM 522 N VAL A 38 7.901 -6.346 -5.652 1.00 0.00 N ATOM 523 CA VAL A 38 8.009 -5.004 -5.093 1.00 0.00 C ATOM 524 C VAL A 38 7.316 -3.979 -5.984 1.00 0.00 C ATOM 525 O VAL A 38 7.644 -3.843 -7.164 1.00 0.00 O ATOM 526 CB VAL A 38 9.481 -4.592 -4.904 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.572 -3.205 -4.284 1.00 0.00 C ATOM 528 CG2 VAL A 38 10.215 -5.615 -4.051 1.00 0.00 C ATOM 0 H VAL A 38 8.032 -6.394 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 38 7.517 -5.026 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 38 9.959 -4.559 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.619 -2.931 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.084 -2.482 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.078 -3.208 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.254 -5.308 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.738 -5.683 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.180 -6.589 -4.540 1.00 0.00 H new ATOM 538 N LEU A 39 6.357 -3.260 -5.413 1.00 0.00 N ATOM 539 CA LEU A 39 5.616 -2.245 -6.156 1.00 0.00 C ATOM 540 C LEU A 39 6.253 -0.870 -5.982 1.00 0.00 C ATOM 541 O LEU A 39 6.908 -0.602 -4.975 1.00 0.00 O ATOM 542 CB LEU A 39 4.159 -2.208 -5.692 1.00 0.00 C ATOM 543 CG LEU A 39 3.282 -3.377 -6.141 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.255 -3.716 -5.071 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.594 -3.053 -7.459 1.00 0.00 C ATOM 0 H LEU A 39 6.073 -3.360 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 39 5.647 -2.508 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.146 -2.168 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.708 -1.283 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 39 3.920 -4.247 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.640 -4.550 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.767 -3.992 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.621 -2.849 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.974 -3.897 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.968 -2.169 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.346 -2.861 -8.224 1.00 0.00 H new ATOM 557 N ARG A 40 6.053 -0.002 -6.968 1.00 0.00 N ATOM 558 CA ARG A 40 6.607 1.346 -6.923 1.00 0.00 C ATOM 559 C ARG A 40 5.571 2.374 -7.369 1.00 0.00 C ATOM 560 O ARG A 40 4.778 2.118 -8.276 1.00 0.00 O ATOM 561 CB ARG A 40 7.849 1.440 -7.811 1.00 0.00 C ATOM 562 CG ARG A 40 8.969 0.500 -7.394 1.00 0.00 C ATOM 563 CD ARG A 40 10.326 1.182 -7.469 1.00 0.00 C ATOM 564 NE ARG A 40 11.407 0.226 -7.693 1.00 0.00 N ATOM 565 CZ ARG A 40 11.578 -0.437 -8.831 1.00 0.00 C ATOM 566 NH1 ARG A 40 10.742 -0.248 -9.843 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.586 -1.290 -8.959 1.00 0.00 N ATOM 0 H ARG A 40 5.512 -0.208 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 40 6.889 1.562 -5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.566 1.221 -8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.221 2.465 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.792 0.150 -6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.966 -0.379 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.319 1.916 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.510 1.727 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 40 12.067 0.058 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.966 0.407 -9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.875 -0.758 -10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.231 -1.437 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.716 -1.798 -9.834 1.00 0.00 H new ATOM 581 N CYS A 41 5.585 3.536 -6.726 1.00 0.00 N ATOM 582 CA CYS A 41 4.646 4.603 -7.055 1.00 0.00 C ATOM 583 C CYS A 41 5.097 5.929 -6.454 1.00 0.00 C ATOM 584 O CYS A 41 5.472 5.995 -5.283 1.00 0.00 O ATOM 585 CB CYS A 41 3.245 4.251 -6.552 1.00 0.00 C ATOM 586 SG CYS A 41 3.192 3.725 -4.823 1.00 0.00 S ATOM 0 H CYS A 41 6.236 3.764 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 41 4.619 4.708 -8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.597 5.119 -6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.836 3.456 -7.175 1.00 0.00 H new ATOM 0 HG CYS A 41 1.966 3.451 -4.490 1.00 0.00 H new ATOM 592 N GLU A 42 5.060 6.984 -7.263 1.00 0.00 N ATOM 593 CA GLU A 42 5.468 8.308 -6.810 1.00 0.00 C ATOM 594 C GLU A 42 4.260 9.229 -6.661 1.00 0.00 C ATOM 595 O GLU A 42 3.171 8.926 -7.150 1.00 0.00 O ATOM 596 CB GLU A 42 6.472 8.920 -7.789 1.00 0.00 C ATOM 597 CG GLU A 42 7.303 10.040 -7.188 1.00 0.00 C ATOM 598 CD GLU A 42 8.469 10.440 -8.072 1.00 0.00 C ATOM 599 OE1 GLU A 42 9.089 9.543 -8.680 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.761 11.652 -8.156 1.00 0.00 O ATOM 0 H GLU A 42 4.752 6.947 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 42 5.943 8.199 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.139 8.137 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.934 9.303 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.667 10.908 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.681 9.725 -6.215 1.00 0.00 H new ATOM 607 N LEU A 43 4.460 10.353 -5.983 1.00 0.00 N ATOM 608 CA LEU A 43 3.388 11.319 -5.768 1.00 0.00 C ATOM 609 C LEU A 43 3.805 12.708 -6.239 1.00 0.00 C ATOM 610 O LEU A 43 4.967 12.939 -6.572 1.00 0.00 O ATOM 611 CB LEU A 43 3.003 11.363 -4.289 1.00 0.00 C ATOM 612 CG LEU A 43 2.065 10.256 -3.806 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.250 10.011 -2.316 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.618 10.611 -4.114 1.00 0.00 C ATOM 0 H LEU A 43 5.355 10.619 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 43 2.524 11.002 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.916 11.323 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.533 12.325 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 43 2.314 9.338 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.574 9.220 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.280 9.711 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.029 10.926 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.035 9.812 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.356 11.541 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.495 10.734 -5.190 1.00 0.00 H new ATOM 626 N SER A 44 2.849 13.632 -6.261 1.00 0.00 N ATOM 627 CA SER A 44 3.116 14.999 -6.692 1.00 0.00 C ATOM 628 C SER A 44 3.792 15.796 -5.580 1.00 0.00 C ATOM 629 O SER A 44 4.556 16.725 -5.842 1.00 0.00 O ATOM 630 CB SER A 44 1.816 15.687 -7.111 1.00 0.00 C ATOM 631 OG SER A 44 1.891 17.087 -6.904 1.00 0.00 O ATOM 0 H SER A 44 1.882 13.458 -5.985 1.00 0.00 H new ATOM 0 HA SER A 44 3.789 14.960 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.615 15.482 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.983 15.276 -6.541 1.00 0.00 H new ATOM 0 HG SER A 44 1.049 17.504 -7.181 1.00 0.00 H new ATOM 637 N LYS A 45 3.504 15.427 -4.337 1.00 0.00 N ATOM 638 CA LYS A 45 4.083 16.105 -3.183 1.00 0.00 C ATOM 639 C LYS A 45 4.128 15.178 -1.973 1.00 0.00 C ATOM 640 O LYS A 45 3.256 14.327 -1.799 1.00 0.00 O ATOM 641 CB LYS A 45 3.277 17.361 -2.846 1.00 0.00 C ATOM 642 CG LYS A 45 3.856 18.166 -1.696 1.00 0.00 C ATOM 643 CD LYS A 45 3.104 19.470 -1.492 1.00 0.00 C ATOM 644 CE LYS A 45 2.290 19.450 -0.208 1.00 0.00 C ATOM 645 NZ LYS A 45 1.347 20.600 -0.130 1.00 0.00 N ATOM 0 H LYS A 45 2.872 14.661 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 45 5.103 16.392 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.222 17.995 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.256 17.071 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.816 17.575 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.907 18.378 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.812 20.298 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.443 19.646 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.730 18.517 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.963 19.474 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.811 20.550 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.883 21.491 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.688 20.564 -0.934 1.00 0.00 H new ATOM 659 N MET A 46 5.148 15.349 -1.139 1.00 0.00 N ATOM 660 CA MET A 46 5.304 14.529 0.057 1.00 0.00 C ATOM 661 C MET A 46 4.032 14.547 0.898 1.00 0.00 C ATOM 662 O MET A 46 3.524 15.612 1.249 1.00 0.00 O ATOM 663 CB MET A 46 6.488 15.023 0.890 1.00 0.00 C ATOM 664 CG MET A 46 6.744 14.191 2.136 1.00 0.00 C ATOM 665 SD MET A 46 7.812 15.028 3.323 1.00 0.00 S ATOM 666 CE MET A 46 9.348 15.101 2.405 1.00 0.00 C ATOM 0 H MET A 46 5.879 16.048 -1.269 1.00 0.00 H new ATOM 0 HA MET A 46 5.495 13.503 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.385 15.019 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.308 16.057 1.184 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.792 13.955 2.613 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.200 13.244 1.848 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.111 14.523 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.196 14.686 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.673 16.138 2.321 1.00 0.00 H new ATOM 676 N ALA A 47 3.522 13.362 1.218 1.00 0.00 N ATOM 677 CA ALA A 47 2.310 13.243 2.020 1.00 0.00 C ATOM 678 C ALA A 47 2.102 11.808 2.490 1.00 0.00 C ATOM 679 O ALA A 47 2.657 10.860 1.933 1.00 0.00 O ATOM 680 CB ALA A 47 1.103 13.722 1.226 1.00 0.00 C ATOM 0 H ALA A 47 3.929 12.471 0.934 1.00 0.00 H new ATOM 0 HA ALA A 47 2.424 13.873 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.205 13.628 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.243 14.766 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.995 13.116 0.326 1.00 0.00 H new ATOM 686 N PRO A 48 1.283 11.641 3.539 1.00 0.00 N ATOM 687 CA PRO A 48 0.983 10.323 4.107 1.00 0.00 C ATOM 688 C PRO A 48 0.124 9.473 3.177 1.00 0.00 C ATOM 689 O PRO A 48 -0.711 9.994 2.438 1.00 0.00 O ATOM 690 CB PRO A 48 0.216 10.656 5.389 1.00 0.00 C ATOM 691 CG PRO A 48 -0.387 11.994 5.133 1.00 0.00 C ATOM 692 CD PRO A 48 0.588 12.725 4.252 1.00 0.00 C ATOM 0 HA PRO A 48 1.886 9.736 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.551 9.910 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.880 10.680 6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.357 11.898 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.551 12.533 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.079 13.398 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.281 13.331 4.836 1.00 0.00 H new ATOM 700 N VAL A 49 0.334 8.161 3.219 1.00 0.00 N ATOM 701 CA VAL A 49 -0.422 7.239 2.381 1.00 0.00 C ATOM 702 C VAL A 49 -0.806 5.982 3.155 1.00 0.00 C ATOM 703 O VAL A 49 -0.264 5.712 4.227 1.00 0.00 O ATOM 704 CB VAL A 49 0.377 6.833 1.129 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.772 8.063 0.326 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.606 6.026 1.520 1.00 0.00 C ATOM 0 H VAL A 49 1.022 7.713 3.825 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.326 7.763 2.071 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.257 6.206 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.336 7.757 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.125 8.598 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.389 8.717 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.159 5.747 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.245 6.626 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.296 5.125 2.050 1.00 0.00 H new ATOM 716 N GLU A 50 -1.743 5.217 2.604 1.00 0.00 N ATOM 717 CA GLU A 50 -2.198 3.988 3.243 1.00 0.00 C ATOM 718 C GLU A 50 -2.443 2.894 2.207 1.00 0.00 C ATOM 719 O GLU A 50 -3.141 3.108 1.216 1.00 0.00 O ATOM 720 CB GLU A 50 -3.479 4.246 4.040 1.00 0.00 C ATOM 721 CG GLU A 50 -3.319 5.298 5.125 1.00 0.00 C ATOM 722 CD GLU A 50 -3.888 6.644 4.721 1.00 0.00 C ATOM 723 OE1 GLU A 50 -3.523 7.140 3.635 1.00 0.00 O ATOM 724 OE2 GLU A 50 -4.697 7.202 5.492 1.00 0.00 O ATOM 0 H GLU A 50 -2.201 5.426 1.717 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.416 3.652 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.266 4.560 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.807 3.312 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.815 4.956 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.261 5.411 5.363 1.00 0.00 H new ATOM 731 N TRP A 51 -1.862 1.724 2.445 1.00 0.00 N ATOM 732 CA TRP A 51 -2.016 0.596 1.532 1.00 0.00 C ATOM 733 C TRP A 51 -3.245 -0.231 1.892 1.00 0.00 C ATOM 734 O TRP A 51 -3.326 -0.799 2.981 1.00 0.00 O ATOM 735 CB TRP A 51 -0.766 -0.285 1.563 1.00 0.00 C ATOM 736 CG TRP A 51 0.475 0.429 1.120 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.262 1.250 1.875 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.070 0.385 -0.182 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.310 1.721 1.122 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.216 1.204 -0.143 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.748 -0.267 -1.375 1.00 0.00 C ATOM 742 CZ2 TRP A 51 3.037 1.387 -1.252 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.564 -0.084 -2.475 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.698 0.737 -2.408 1.00 0.00 C ATOM 0 H TRP A 51 -1.281 1.531 3.261 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.149 0.991 0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.619 -0.659 2.576 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.926 -1.153 0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.086 1.494 2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.040 2.353 1.451 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.123 -0.903 -1.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.911 2.020 -1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.324 -0.582 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.316 0.859 -3.285 1.00 0.00 H new ATOM 755 N TRP A 52 -4.200 -0.296 0.971 1.00 0.00 N ATOM 756 CA TRP A 52 -5.425 -1.055 1.192 1.00 0.00 C ATOM 757 C TRP A 52 -5.517 -2.234 0.230 1.00 0.00 C ATOM 758 O TRP A 52 -5.232 -2.100 -0.961 1.00 0.00 O ATOM 759 CB TRP A 52 -6.647 -0.149 1.026 1.00 0.00 C ATOM 760 CG TRP A 52 -6.833 0.811 2.162 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.149 1.974 2.372 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.763 0.689 3.243 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.598 2.583 3.519 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.589 1.815 4.072 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.728 -0.260 3.591 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.343 2.015 5.225 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.476 -0.060 4.737 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.280 1.069 5.542 1.00 0.00 C ATOM 0 H TRP A 52 -4.149 0.168 0.064 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.404 -1.443 2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.550 0.413 0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.539 -0.768 0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.370 2.359 1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.250 3.464 3.897 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.887 -1.134 2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.194 2.885 5.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.224 -0.787 5.016 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.880 1.196 6.431 1.00 0.00 H new ATOM 779 N LYS A 53 -5.915 -3.389 0.752 1.00 0.00 N ATOM 780 CA LYS A 53 -6.046 -4.592 -0.061 1.00 0.00 C ATOM 781 C LYS A 53 -7.496 -5.063 -0.107 1.00 0.00 C ATOM 782 O LYS A 53 -7.949 -5.796 0.770 1.00 0.00 O ATOM 783 CB LYS A 53 -5.155 -5.706 0.494 1.00 0.00 C ATOM 784 CG LYS A 53 -4.827 -6.786 -0.523 1.00 0.00 C ATOM 785 CD LYS A 53 -4.278 -8.034 0.147 1.00 0.00 C ATOM 786 CE LYS A 53 -3.955 -9.117 -0.872 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.058 -10.109 -0.996 1.00 0.00 N ATOM 0 H LYS A 53 -6.153 -3.517 1.736 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.728 -4.351 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.226 -5.269 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.650 -6.163 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.724 -7.040 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.098 -6.405 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.379 -7.781 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.006 -8.413 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.769 -8.658 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.038 -9.628 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.662 -11.040 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.568 -10.175 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.715 -9.806 -1.743 1.00 0.00 H new ATOM 801 N GLY A 54 -8.219 -4.637 -1.139 1.00 0.00 N ATOM 802 CA GLY A 54 -9.609 -5.026 -1.281 1.00 0.00 C ATOM 803 C GLY A 54 -10.520 -4.281 -0.326 1.00 0.00 C ATOM 804 O GLY A 54 -11.067 -3.232 -0.668 1.00 0.00 O ATOM 0 H GLY A 54 -7.866 -4.030 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.932 -4.841 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.703 -6.098 -1.106 1.00 0.00 H new ATOM 808 N HIS A 55 -10.687 -4.825 0.876 1.00 0.00 N ATOM 809 CA HIS A 55 -11.539 -4.205 1.884 1.00 0.00 C ATOM 810 C HIS A 55 -10.893 -4.282 3.264 1.00 0.00 C ATOM 811 O HIS A 55 -11.581 -4.419 4.275 1.00 0.00 O ATOM 812 CB HIS A 55 -12.909 -4.884 1.911 1.00 0.00 C ATOM 813 CG HIS A 55 -14.037 -3.946 2.214 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.235 -2.763 1.534 1.00 0.00 N ATOM 815 CD2 HIS A 55 -15.031 -4.023 3.129 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.301 -2.152 2.018 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.803 -2.896 2.987 1.00 0.00 N ATOM 0 H HIS A 55 -10.243 -5.694 1.175 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.667 -3.155 1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.090 -5.357 0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.897 -5.678 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.188 -4.822 3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.695 -1.205 1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.630 -2.670 3.540 1.00 0.00 H new ATOM 825 N GLU A 56 -9.567 -4.194 3.297 1.00 0.00 N ATOM 826 CA GLU A 56 -8.829 -4.256 4.553 1.00 0.00 C ATOM 827 C GLU A 56 -7.505 -3.505 4.443 1.00 0.00 C ATOM 828 O GLU A 56 -6.899 -3.444 3.373 1.00 0.00 O ATOM 829 CB GLU A 56 -8.571 -5.711 4.948 1.00 0.00 C ATOM 830 CG GLU A 56 -8.207 -5.889 6.413 1.00 0.00 C ATOM 831 CD GLU A 56 -8.387 -7.317 6.889 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.499 -7.861 6.727 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.415 -7.890 7.425 1.00 0.00 O ATOM 0 H GLU A 56 -8.982 -4.080 2.469 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.435 -3.780 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.461 -6.301 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.765 -6.109 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.171 -5.587 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.825 -5.227 7.020 1.00 0.00 H new ATOM 840 N THR A 57 -7.061 -2.934 5.559 1.00 0.00 N ATOM 841 CA THR A 57 -5.810 -2.186 5.589 1.00 0.00 C ATOM 842 C THR A 57 -4.624 -3.108 5.845 1.00 0.00 C ATOM 843 O THR A 57 -4.722 -4.064 6.616 1.00 0.00 O ATOM 844 CB THR A 57 -5.837 -1.090 6.671 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.191 -0.742 6.982 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.084 0.147 6.206 1.00 0.00 C ATOM 0 H THR A 57 -7.549 -2.975 6.454 1.00 0.00 H new ATOM 0 HA THR A 57 -5.698 -1.718 4.611 1.00 0.00 H new ATOM 0 HB THR A 57 -5.348 -1.479 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.592 -0.274 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.116 0.907 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.047 -0.115 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.548 0.537 5.300 1.00 0.00 H new ATOM 854 N LEU A 58 -3.502 -2.816 5.195 1.00 0.00 N ATOM 855 CA LEU A 58 -2.295 -3.620 5.354 1.00 0.00 C ATOM 856 C LEU A 58 -1.355 -2.994 6.379 1.00 0.00 C ATOM 857 O LEU A 58 -1.363 -1.780 6.583 1.00 0.00 O ATOM 858 CB LEU A 58 -1.578 -3.768 4.011 1.00 0.00 C ATOM 859 CG LEU A 58 -2.421 -4.309 2.856 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.678 -4.159 1.537 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.790 -5.765 3.100 1.00 0.00 C ATOM 0 H LEU A 58 -3.403 -2.029 4.554 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.589 -4.606 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.185 -2.793 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.722 -4.428 4.150 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.341 -3.727 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.293 -4.549 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.466 -3.105 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.741 -4.715 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.390 -6.133 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.882 -6.361 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.363 -5.845 4.024 1.00 0.00 H new ATOM 873 N ARG A 59 -0.544 -3.830 7.019 1.00 0.00 N ATOM 874 CA ARG A 59 0.403 -3.359 8.022 1.00 0.00 C ATOM 875 C ARG A 59 1.840 -3.585 7.562 1.00 0.00 C ATOM 876 O ARG A 59 2.080 -4.215 6.532 1.00 0.00 O ATOM 877 CB ARG A 59 0.164 -4.072 9.354 1.00 0.00 C ATOM 878 CG ARG A 59 -1.038 -3.546 10.120 1.00 0.00 C ATOM 879 CD ARG A 59 -0.662 -2.372 11.011 1.00 0.00 C ATOM 880 NE ARG A 59 -1.778 -1.942 11.850 1.00 0.00 N ATOM 881 CZ ARG A 59 -2.817 -1.253 11.392 1.00 0.00 C ATOM 882 NH1 ARG A 59 -2.883 -0.918 10.111 1.00 0.00 N ATOM 883 NH2 ARG A 59 -3.794 -0.897 12.217 1.00 0.00 N ATOM 0 H ARG A 59 -0.524 -4.837 6.861 1.00 0.00 H new ATOM 0 HA ARG A 59 0.248 -2.289 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.027 -5.137 9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.053 -3.970 9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.812 -3.237 9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.461 -4.345 10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.180 -2.652 11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.332 -1.538 10.392 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.758 -2.184 12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.134 -1.189 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.682 -0.389 9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.747 -1.153 13.203 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.592 -0.368 11.865 1.00 0.00 H new ATOM 897 N ASP A 60 2.790 -3.066 8.331 1.00 0.00 N ATOM 898 CA ASP A 60 4.204 -3.211 8.003 1.00 0.00 C ATOM 899 C ASP A 60 4.897 -4.148 8.987 1.00 0.00 C ATOM 900 O ASP A 60 4.808 -3.966 10.201 1.00 0.00 O ATOM 901 CB ASP A 60 4.893 -1.846 8.007 1.00 0.00 C ATOM 902 CG ASP A 60 5.062 -1.287 9.407 1.00 0.00 C ATOM 903 OD1 ASP A 60 4.090 -0.711 9.936 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.167 -1.426 9.972 1.00 0.00 O ATOM 0 H ASP A 60 2.607 -2.541 9.186 1.00 0.00 H new ATOM 0 HA ASP A 60 4.278 -3.643 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.871 -1.934 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.311 -1.146 7.407 1.00 0.00 H new ATOM 909 N GLY A 61 5.587 -5.153 8.455 1.00 0.00 N ATOM 910 CA GLY A 61 6.283 -6.104 9.301 1.00 0.00 C ATOM 911 C GLY A 61 7.417 -6.802 8.576 1.00 0.00 C ATOM 912 O GLY A 61 8.187 -6.166 7.856 1.00 0.00 O ATOM 0 H GLY A 61 5.676 -5.325 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.678 -5.587 10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.575 -6.849 9.664 1.00 0.00 H new ATOM 916 N ASP A 62 7.521 -8.113 8.768 1.00 0.00 N ATOM 917 CA ASP A 62 8.570 -8.898 8.127 1.00 0.00 C ATOM 918 C ASP A 62 8.146 -9.332 6.728 1.00 0.00 C ATOM 919 O ASP A 62 8.772 -8.959 5.735 1.00 0.00 O ATOM 920 CB ASP A 62 8.908 -10.125 8.975 1.00 0.00 C ATOM 921 CG ASP A 62 10.238 -9.988 9.689 1.00 0.00 C ATOM 922 OD1 ASP A 62 10.300 -9.244 10.690 1.00 0.00 O ATOM 923 OD2 ASP A 62 11.218 -10.623 9.245 1.00 0.00 O ATOM 0 H ASP A 62 6.892 -8.654 9.362 1.00 0.00 H new ATOM 0 HA ASP A 62 9.457 -8.271 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.119 -10.283 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.931 -11.009 8.337 1.00 0.00 H new ATOM 928 N ARG A 63 7.080 -10.122 6.657 1.00 0.00 N ATOM 929 CA ARG A 63 6.574 -10.609 5.379 1.00 0.00 C ATOM 930 C ARG A 63 6.304 -9.450 4.424 1.00 0.00 C ATOM 931 O ARG A 63 6.430 -9.593 3.207 1.00 0.00 O ATOM 932 CB ARG A 63 5.293 -11.419 5.589 1.00 0.00 C ATOM 933 CG ARG A 63 5.525 -12.761 6.264 1.00 0.00 C ATOM 934 CD ARG A 63 4.701 -12.895 7.535 1.00 0.00 C ATOM 935 NE ARG A 63 3.469 -13.645 7.313 1.00 0.00 N ATOM 936 CZ ARG A 63 2.724 -14.143 8.294 1.00 0.00 C ATOM 937 NH1 ARG A 63 3.085 -13.970 9.558 1.00 0.00 N ATOM 938 NH2 ARG A 63 1.615 -14.815 8.011 1.00 0.00 N ATOM 0 H ARG A 63 6.550 -10.439 7.469 1.00 0.00 H new ATOM 0 HA ARG A 63 7.335 -11.252 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.598 -10.834 6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.816 -11.585 4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.267 -13.565 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.583 -12.872 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.295 -13.393 8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.458 -11.903 7.915 1.00 0.00 H new ATOM 0 HE ARG A 63 3.163 -13.795 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.936 -13.454 9.779 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.511 -14.353 10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.334 -14.950 7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.044 -15.197 8.765 1.00 0.00 H new ATOM 952 N HIS A 64 5.933 -8.303 4.983 1.00 0.00 N ATOM 953 CA HIS A 64 5.646 -7.119 4.181 1.00 0.00 C ATOM 954 C HIS A 64 6.486 -5.933 4.643 1.00 0.00 C ATOM 955 O HIS A 64 6.420 -5.528 5.804 1.00 0.00 O ATOM 956 CB HIS A 64 4.160 -6.769 4.264 1.00 0.00 C ATOM 957 CG HIS A 64 3.261 -7.844 3.732 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.020 -9.023 4.404 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.542 -7.911 2.588 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.193 -9.770 3.695 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.888 -9.118 2.588 1.00 0.00 N ATOM 0 H HIS A 64 5.824 -8.168 5.988 1.00 0.00 H new ATOM 0 HA HIS A 64 5.902 -7.342 3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.899 -6.570 5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.980 -5.848 3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.492 -7.155 1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.828 -10.748 3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.267 -9.456 1.853 1.00 0.00 H new ATOM 969 N SER A 65 7.276 -5.380 3.728 1.00 0.00 N ATOM 970 CA SER A 65 8.133 -4.243 4.043 1.00 0.00 C ATOM 971 C SER A 65 7.614 -2.972 3.378 1.00 0.00 C ATOM 972 O SER A 65 7.565 -2.874 2.152 1.00 0.00 O ATOM 973 CB SER A 65 9.568 -4.519 3.592 1.00 0.00 C ATOM 974 OG SER A 65 9.877 -5.899 3.688 1.00 0.00 O ATOM 0 H SER A 65 7.340 -5.701 2.762 1.00 0.00 H new ATOM 0 HA SER A 65 8.121 -4.098 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.700 -4.185 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.262 -3.944 4.205 1.00 0.00 H new ATOM 0 HG SER A 65 10.799 -6.049 3.392 1.00 0.00 H new ATOM 980 N LEU A 66 7.228 -1.999 4.197 1.00 0.00 N ATOM 981 CA LEU A 66 6.713 -0.732 3.690 1.00 0.00 C ATOM 982 C LEU A 66 7.723 0.391 3.904 1.00 0.00 C ATOM 983 O LEU A 66 8.055 0.733 5.039 1.00 0.00 O ATOM 984 CB LEU A 66 5.392 -0.384 4.379 1.00 0.00 C ATOM 985 CG LEU A 66 4.149 -1.098 3.847 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.150 -2.559 4.270 1.00 0.00 C ATOM 987 CD2 LEU A 66 2.886 -0.401 4.332 1.00 0.00 C ATOM 0 H LEU A 66 7.262 -2.064 5.214 1.00 0.00 H new ATOM 0 HA LEU A 66 6.540 -0.840 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.489 -0.609 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.233 0.691 4.294 1.00 0.00 H new ATOM 0 HG LEU A 66 4.168 -1.057 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.258 -3.051 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.038 -3.052 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.155 -2.623 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.011 -0.922 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.861 -0.411 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.881 0.630 3.978 1.00 0.00 H new ATOM 999 N ARG A 67 8.206 0.962 2.805 1.00 0.00 N ATOM 1000 CA ARG A 67 9.177 2.048 2.873 1.00 0.00 C ATOM 1001 C ARG A 67 8.712 3.245 2.049 1.00 0.00 C ATOM 1002 O ARG A 67 8.067 3.084 1.013 1.00 0.00 O ATOM 1003 CB ARG A 67 10.542 1.571 2.374 1.00 0.00 C ATOM 1004 CG ARG A 67 10.485 0.856 1.033 1.00 0.00 C ATOM 1005 CD ARG A 67 11.877 0.624 0.466 1.00 0.00 C ATOM 1006 NE ARG A 67 12.401 1.813 -0.200 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.604 1.871 -0.760 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.402 0.813 -0.736 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.011 2.989 -1.347 1.00 0.00 N ATOM 0 H ARG A 67 7.941 0.691 1.858 1.00 0.00 H new ATOM 0 HA ARG A 67 9.266 2.358 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.209 2.429 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.976 0.900 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.975 -0.100 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.898 1.446 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.552 0.332 1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.847 -0.204 -0.242 1.00 0.00 H new ATOM 0 HE ARG A 67 11.811 2.644 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.093 -0.049 -0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.325 0.861 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.400 3.805 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.935 3.032 -1.777 1.00 0.00 H new ATOM 1023 N GLN A 68 9.043 4.444 2.517 1.00 0.00 N ATOM 1024 CA GLN A 68 8.658 5.667 1.824 1.00 0.00 C ATOM 1025 C GLN A 68 9.791 6.689 1.853 1.00 0.00 C ATOM 1026 O GLN A 68 10.480 6.837 2.862 1.00 0.00 O ATOM 1027 CB GLN A 68 7.401 6.264 2.459 1.00 0.00 C ATOM 1028 CG GLN A 68 6.901 7.517 1.757 1.00 0.00 C ATOM 1029 CD GLN A 68 5.394 7.662 1.825 1.00 0.00 C ATOM 1030 OE1 GLN A 68 4.663 6.671 1.843 1.00 0.00 O ATOM 1031 NE2 GLN A 68 4.919 8.901 1.864 1.00 0.00 N ATOM 0 H GLN A 68 9.577 4.594 3.373 1.00 0.00 H new ATOM 0 HA GLN A 68 8.447 5.415 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.610 5.514 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.608 6.501 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.367 8.393 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.213 7.493 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.560 9.694 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.913 9.060 1.911 1.00 0.00 H new ATOM 1040 N ASP A 69 9.977 7.389 0.740 1.00 0.00 N ATOM 1041 CA ASP A 69 11.026 8.397 0.637 1.00 0.00 C ATOM 1042 C ASP A 69 10.484 9.685 0.024 1.00 0.00 C ATOM 1043 O ASP A 69 10.568 9.891 -1.186 1.00 0.00 O ATOM 1044 CB ASP A 69 12.191 7.869 -0.201 1.00 0.00 C ATOM 1045 CG ASP A 69 13.058 6.889 0.565 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.768 7.326 1.494 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.027 5.685 0.235 1.00 0.00 O ATOM 0 H ASP A 69 9.415 7.277 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 69 11.384 8.617 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.801 7.382 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.803 8.707 -0.536 1.00 0.00 H new ATOM 1052 N GLY A 70 9.927 10.548 0.868 1.00 0.00 N ATOM 1053 CA GLY A 70 9.379 11.804 0.390 1.00 0.00 C ATOM 1054 C GLY A 70 8.105 11.613 -0.409 1.00 0.00 C ATOM 1055 O GLY A 70 7.013 11.553 0.156 1.00 0.00 O ATOM 0 H GLY A 70 9.845 10.400 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.177 12.456 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.121 12.308 -0.229 1.00 0.00 H new ATOM 1059 N ALA A 71 8.243 11.520 -1.728 1.00 0.00 N ATOM 1060 CA ALA A 71 7.094 11.335 -2.605 1.00 0.00 C ATOM 1061 C ALA A 71 7.083 9.934 -3.207 1.00 0.00 C ATOM 1062 O ALA A 71 6.027 9.410 -3.563 1.00 0.00 O ATOM 1063 CB ALA A 71 7.098 12.385 -3.707 1.00 0.00 C ATOM 0 H ALA A 71 9.139 11.570 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 71 6.189 11.453 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.234 12.236 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.050 13.379 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.012 12.293 -4.294 1.00 0.00 H new ATOM 1069 N ARG A 72 8.263 9.332 -3.317 1.00 0.00 N ATOM 1070 CA ARG A 72 8.388 7.992 -3.877 1.00 0.00 C ATOM 1071 C ARG A 72 8.148 6.931 -2.807 1.00 0.00 C ATOM 1072 O ARG A 72 8.821 6.911 -1.776 1.00 0.00 O ATOM 1073 CB ARG A 72 9.774 7.803 -4.496 1.00 0.00 C ATOM 1074 CG ARG A 72 9.818 8.089 -5.988 1.00 0.00 C ATOM 1075 CD ARG A 72 10.926 7.304 -6.673 1.00 0.00 C ATOM 1076 NE ARG A 72 11.525 8.052 -7.776 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.439 9.002 -7.609 1.00 0.00 C ATOM 1078 NH1 ARG A 72 12.856 9.318 -6.391 1.00 0.00 N ATOM 1079 NH2 ARG A 72 12.937 9.637 -8.662 1.00 0.00 N ATOM 0 H ARG A 72 9.146 9.751 -3.026 1.00 0.00 H new ATOM 0 HA ARG A 72 7.632 7.878 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.482 8.458 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.104 6.779 -4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.858 7.833 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.972 9.156 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.697 7.053 -5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.525 6.363 -7.049 1.00 0.00 H new ATOM 0 HE ARG A 72 11.225 7.833 -8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.475 8.832 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.558 10.048 -6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.618 9.396 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.639 10.366 -8.533 1.00 0.00 H new ATOM 1093 N CYS A 73 7.184 6.052 -3.059 1.00 0.00 N ATOM 1094 CA CYS A 73 6.854 4.989 -2.117 1.00 0.00 C ATOM 1095 C CYS A 73 7.239 3.625 -2.680 1.00 0.00 C ATOM 1096 O CYS A 73 7.447 3.476 -3.883 1.00 0.00 O ATOM 1097 CB CYS A 73 5.360 5.015 -1.789 1.00 0.00 C ATOM 1098 SG CYS A 73 4.750 6.632 -1.258 1.00 0.00 S ATOM 0 H CYS A 73 6.618 6.055 -3.907 1.00 0.00 H new ATOM 0 HA CYS A 73 7.422 5.158 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.800 4.698 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.158 4.287 -1.004 1.00 0.00 H new ATOM 0 HG CYS A 73 3.477 6.554 -1.005 1.00 0.00 H new ATOM 1104 N GLU A 74 7.334 2.632 -1.800 1.00 0.00 N ATOM 1105 CA GLU A 74 7.697 1.281 -2.210 1.00 0.00 C ATOM 1106 C GLU A 74 7.122 0.247 -1.246 1.00 0.00 C ATOM 1107 O GLU A 74 7.076 0.467 -0.035 1.00 0.00 O ATOM 1108 CB GLU A 74 9.218 1.137 -2.281 1.00 0.00 C ATOM 1109 CG GLU A 74 9.745 0.931 -3.691 1.00 0.00 C ATOM 1110 CD GLU A 74 11.199 1.339 -3.836 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.584 2.377 -3.258 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.951 0.621 -4.528 1.00 0.00 O ATOM 0 H GLU A 74 7.165 2.738 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 74 7.276 1.104 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.679 2.029 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.524 0.294 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.637 -0.118 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.138 1.507 -4.389 1.00 0.00 H new ATOM 1119 N LEU A 75 6.683 -0.882 -1.792 1.00 0.00 N ATOM 1120 CA LEU A 75 6.109 -1.951 -0.982 1.00 0.00 C ATOM 1121 C LEU A 75 6.677 -3.307 -1.389 1.00 0.00 C ATOM 1122 O LEU A 75 6.376 -3.818 -2.468 1.00 0.00 O ATOM 1123 CB LEU A 75 4.586 -1.961 -1.120 1.00 0.00 C ATOM 1124 CG LEU A 75 3.877 -3.228 -0.639 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.063 -3.406 0.860 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.397 -3.177 -0.992 1.00 0.00 C ATOM 0 H LEU A 75 6.714 -1.081 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 75 6.372 -1.765 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.185 -1.112 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.335 -1.804 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 75 4.322 -4.085 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.552 -4.312 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.126 -3.487 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.645 -2.546 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.908 -4.086 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.938 -2.312 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.283 -3.097 -2.073 1.00 0.00 H new ATOM 1138 N GLN A 76 7.498 -3.884 -0.518 1.00 0.00 N ATOM 1139 CA GLN A 76 8.107 -5.182 -0.787 1.00 0.00 C ATOM 1140 C GLN A 76 7.372 -6.292 -0.044 1.00 0.00 C ATOM 1141 O GLN A 76 6.830 -6.074 1.040 1.00 0.00 O ATOM 1142 CB GLN A 76 9.582 -5.171 -0.382 1.00 0.00 C ATOM 1143 CG GLN A 76 10.261 -6.524 -0.520 1.00 0.00 C ATOM 1144 CD GLN A 76 11.742 -6.406 -0.822 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.188 -6.713 -1.927 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.513 -5.959 0.163 1.00 0.00 N ATOM 0 H GLN A 76 7.757 -3.474 0.379 1.00 0.00 H new ATOM 0 HA GLN A 76 8.033 -5.375 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.113 -4.443 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.664 -4.837 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.126 -7.090 0.402 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.776 -7.090 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.100 -5.716 1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.518 -5.859 0.019 1.00 0.00 H new ATOM 1155 N ILE A 77 7.357 -7.483 -0.634 1.00 0.00 N ATOM 1156 CA ILE A 77 6.689 -8.627 -0.027 1.00 0.00 C ATOM 1157 C ILE A 77 7.519 -9.896 -0.186 1.00 0.00 C ATOM 1158 O ILE A 77 7.619 -10.453 -1.279 1.00 0.00 O ATOM 1159 CB ILE A 77 5.296 -8.858 -0.643 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.431 -7.606 -0.485 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.623 -10.059 0.004 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.184 -7.621 -1.342 1.00 0.00 C ATOM 0 H ILE A 77 7.800 -7.680 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 77 6.576 -8.400 1.033 1.00 0.00 H new ATOM 0 HB ILE A 77 5.415 -9.063 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.142 -7.503 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.026 -6.729 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.640 -10.209 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.233 -10.948 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.513 -9.882 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.619 -6.703 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.465 -7.692 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.568 -8.479 -1.073 1.00 0.00 H new ATOM 1174 N ARG A 78 8.112 -10.350 0.914 1.00 0.00 N ATOM 1175 CA ARG A 78 8.933 -11.555 0.897 1.00 0.00 C ATOM 1176 C ARG A 78 8.109 -12.780 1.281 1.00 0.00 C ATOM 1177 O ARG A 78 7.381 -12.766 2.272 1.00 0.00 O ATOM 1178 CB ARG A 78 10.118 -11.403 1.854 1.00 0.00 C ATOM 1179 CG ARG A 78 11.462 -11.324 1.150 1.00 0.00 C ATOM 1180 CD ARG A 78 12.138 -12.685 1.085 1.00 0.00 C ATOM 1181 NE ARG A 78 13.592 -12.579 1.168 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.405 -13.629 1.210 1.00 0.00 C ATOM 1183 NH1 ARG A 78 13.908 -14.858 1.176 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.717 -13.451 1.285 1.00 0.00 N ATOM 0 H ARG A 78 8.039 -9.902 1.827 1.00 0.00 H new ATOM 0 HA ARG A 78 9.308 -11.695 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.978 -10.503 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.128 -12.247 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.323 -10.937 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.108 -10.620 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.773 -13.310 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.863 -13.182 0.155 1.00 0.00 H new ATOM 0 HE ARG A 78 14.006 -11.647 1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.899 -14.999 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.534 -15.662 1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.103 -12.507 1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.340 -14.258 1.317 1.00 0.00 H new ATOM 1198 N GLY A 79 8.230 -13.840 0.487 1.00 0.00 N ATOM 1199 CA GLY A 79 7.490 -15.059 0.760 1.00 0.00 C ATOM 1200 C GLY A 79 6.202 -15.145 -0.034 1.00 0.00 C ATOM 1201 O GLY A 79 5.136 -15.408 0.524 1.00 0.00 O ATOM 0 H GLY A 79 8.827 -13.876 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.116 -15.920 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.261 -15.111 1.824 1.00 0.00 H new ATOM 1205 N LEU A 80 6.298 -14.922 -1.340 1.00 0.00 N ATOM 1206 CA LEU A 80 5.131 -14.974 -2.213 1.00 0.00 C ATOM 1207 C LEU A 80 4.427 -16.323 -2.102 1.00 0.00 C ATOM 1208 O LEU A 80 4.985 -17.284 -1.572 1.00 0.00 O ATOM 1209 CB LEU A 80 5.543 -14.719 -3.664 1.00 0.00 C ATOM 1210 CG LEU A 80 5.766 -13.256 -4.051 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.363 -13.158 -5.446 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.461 -12.478 -3.971 1.00 0.00 C ATOM 0 H LEU A 80 7.172 -14.703 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 80 4.437 -14.196 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.462 -15.271 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.775 -15.134 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 80 6.471 -12.817 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.515 -12.110 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.320 -13.680 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.683 -13.614 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.639 -11.439 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.733 -12.917 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.075 -12.519 -2.953 1.00 0.00 H new ATOM 1224 N VAL A 81 3.200 -16.388 -2.609 1.00 0.00 N ATOM 1225 CA VAL A 81 2.421 -17.620 -2.570 1.00 0.00 C ATOM 1226 C VAL A 81 1.270 -17.575 -3.568 1.00 0.00 C ATOM 1227 O VAL A 81 1.336 -18.187 -4.634 1.00 0.00 O ATOM 1228 CB VAL A 81 1.855 -17.882 -1.161 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.689 -18.926 -0.435 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.794 -16.588 -0.364 1.00 0.00 C ATOM 0 H VAL A 81 2.724 -15.602 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 81 3.098 -18.431 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 81 0.841 -18.269 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.274 -19.097 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.676 -19.858 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.716 -18.572 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.392 -16.791 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.796 -16.170 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.150 -15.874 -0.878 1.00 0.00 H new ATOM 1240 N ALA A 82 0.217 -16.845 -3.216 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.948 -16.718 -4.082 1.00 0.00 C ATOM 1242 C ALA A 82 -2.011 -15.830 -3.445 1.00 0.00 C ATOM 1243 O ALA A 82 -2.722 -15.103 -4.139 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.524 -18.090 -4.398 1.00 0.00 C ATOM 0 H ALA A 82 0.147 -16.333 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.628 -16.248 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.394 -17.979 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.770 -18.694 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.822 -18.582 -3.472 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.115 -15.895 -2.122 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.093 -15.097 -1.392 1.00 0.00 C ATOM 1252 C GLU A 83 -2.800 -13.607 -1.541 1.00 0.00 C ATOM 1253 O GLU A 83 -3.714 -12.784 -1.590 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.097 -15.482 0.088 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.876 -16.752 0.385 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.339 -16.643 0.000 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.855 -15.507 -0.050 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -5.967 -17.693 -0.251 1.00 0.00 O ATOM 0 H GLU A 83 -1.534 -16.492 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.077 -15.300 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.068 -15.610 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.522 -14.662 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.424 -17.585 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.800 -16.980 1.448 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.517 -13.267 -1.610 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.101 -11.876 -1.753 1.00 0.00 C ATOM 1267 C ASP A 84 -1.695 -11.259 -3.015 1.00 0.00 C ATOM 1268 O ASP A 84 -2.006 -10.068 -3.049 1.00 0.00 O ATOM 1269 CB ASP A 84 0.425 -11.780 -1.792 1.00 0.00 C ATOM 1270 CG ASP A 84 1.024 -11.521 -0.424 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.327 -12.502 0.287 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.190 -10.337 -0.064 1.00 0.00 O ATOM 0 H ASP A 84 -0.747 -13.935 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.470 -11.321 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.834 -12.706 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.719 -10.980 -2.471 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.849 -12.076 -4.052 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.406 -11.610 -5.316 1.00 0.00 C ATOM 1279 C ALA A 85 -3.807 -11.041 -5.122 1.00 0.00 C ATOM 1280 O ALA A 85 -4.654 -11.657 -4.476 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.430 -12.743 -6.331 1.00 0.00 C ATOM 0 H ALA A 85 -1.596 -13.064 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.768 -10.812 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.848 -12.381 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.415 -13.102 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.044 -13.559 -5.951 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.045 -9.860 -5.685 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.345 -9.228 -5.561 1.00 0.00 C ATOM 1289 C GLY A 86 -5.349 -7.803 -6.079 1.00 0.00 C ATOM 1290 O GLY A 86 -4.681 -7.494 -7.065 1.00 0.00 O ATOM 0 H GLY A 86 -3.361 -9.330 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.084 -9.813 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.649 -9.232 -4.514 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.103 -6.935 -5.413 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.192 -5.536 -5.815 1.00 0.00 C ATOM 1296 C GLU A 87 -5.642 -4.621 -4.725 1.00 0.00 C ATOM 1297 O GLU A 87 -6.248 -4.467 -3.664 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.643 -5.162 -6.125 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.806 -3.753 -6.669 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.124 -3.555 -7.393 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.392 -4.306 -8.354 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.888 -2.650 -6.996 1.00 0.00 O ATOM 0 H GLU A 87 -6.661 -7.175 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.590 -5.404 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.045 -5.871 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.237 -5.263 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.737 -3.040 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.985 -3.534 -7.351 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.490 -4.016 -4.994 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.856 -3.119 -4.036 1.00 0.00 C ATOM 1311 C TYR A 88 -4.357 -1.689 -4.215 1.00 0.00 C ATOM 1312 O TYR A 88 -4.922 -1.341 -5.252 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.335 -3.162 -4.194 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.708 -4.436 -3.674 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.911 -5.648 -4.323 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.915 -4.428 -2.534 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.341 -6.814 -3.852 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.340 -5.590 -2.056 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.556 -6.780 -2.718 1.00 0.00 C ATOM 1320 OH TYR A 88 0.014 -7.940 -2.245 1.00 0.00 O ATOM 0 H TYR A 88 -3.977 -4.131 -5.868 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.120 -3.455 -3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.084 -3.048 -5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.899 -2.312 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.525 -5.678 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.745 -3.498 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.509 -7.748 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.275 -5.566 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.567 -8.700 -2.457 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.144 -0.863 -3.196 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.572 0.531 -3.239 1.00 0.00 C ATOM 1332 C LEU A 89 -3.552 1.436 -2.555 1.00 0.00 C ATOM 1333 O LEU A 89 -2.617 0.958 -1.911 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.938 0.686 -2.569 1.00 0.00 C ATOM 1335 CG LEU A 89 -6.957 1.549 -3.315 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.309 0.853 -3.368 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.084 2.915 -2.655 1.00 0.00 C ATOM 0 H LEU A 89 -3.678 -1.134 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.651 0.829 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.366 -0.306 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.788 1.112 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.605 1.692 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.021 1.482 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.207 -0.101 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.669 0.679 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.813 3.516 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.413 2.791 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.117 3.417 -2.670 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.739 2.743 -2.697 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.836 3.715 -2.091 1.00 0.00 C ATOM 1351 C CYS A 90 -3.445 5.113 -2.116 1.00 0.00 C ATOM 1352 O CYS A 90 -3.285 5.853 -3.086 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.492 3.718 -2.822 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.136 4.443 -1.871 1.00 0.00 S ATOM 0 H CYS A 90 -4.508 3.154 -3.226 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.676 3.427 -1.052 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.231 2.693 -3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.600 4.268 -3.757 1.00 0.00 H new ATOM 0 HG CYS A 90 0.958 4.398 -2.572 1.00 0.00 H new ATOM 1360 N MET A 91 -4.146 5.466 -1.044 1.00 0.00 N ATOM 1361 CA MET A 91 -4.780 6.776 -0.943 1.00 0.00 C ATOM 1362 C MET A 91 -3.826 7.797 -0.332 1.00 0.00 C ATOM 1363 O MET A 91 -3.173 7.524 0.676 1.00 0.00 O ATOM 1364 CB MET A 91 -6.055 6.685 -0.102 1.00 0.00 C ATOM 1365 CG MET A 91 -6.972 5.543 -0.509 1.00 0.00 C ATOM 1366 SD MET A 91 -8.670 5.784 0.046 1.00 0.00 S ATOM 1367 CE MET A 91 -8.752 4.619 1.404 1.00 0.00 C ATOM 0 H MET A 91 -4.290 4.864 -0.233 1.00 0.00 H new ATOM 0 HA MET A 91 -5.039 7.105 -1.949 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.781 6.564 0.946 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.601 7.625 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.960 5.441 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.588 4.610 -0.097 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.745 4.651 1.852 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.554 3.613 1.033 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.007 4.882 2.155 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.750 8.971 -0.949 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.873 10.032 -0.466 1.00 0.00 C ATOM 1379 C CYS A 92 -3.647 11.333 -0.279 1.00 0.00 C ATOM 1380 O CYS A 92 -3.785 12.125 -1.211 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.715 10.249 -1.441 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.570 11.558 -0.947 1.00 0.00 S ATOM 0 H CYS A 92 -4.284 9.212 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.472 9.726 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.161 9.316 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.121 10.488 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.231 12.659 -0.743 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.153 11.547 0.932 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.908 12.752 1.219 1.00 0.00 C ATOM 1390 C GLY A 93 -6.292 12.730 0.600 1.00 0.00 C ATOM 1391 O GLY A 93 -7.286 12.504 1.290 1.00 0.00 O ATOM 0 H GLY A 93 -4.053 10.907 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.998 12.872 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.360 13.618 0.846 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.357 12.967 -0.706 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.629 12.975 -1.420 1.00 0.00 C ATOM 1397 C LYS A 94 -7.619 11.961 -2.560 1.00 0.00 C ATOM 1398 O LYS A 94 -8.534 11.149 -2.688 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.921 14.373 -1.969 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.849 15.191 -1.088 1.00 0.00 C ATOM 1401 CD LYS A 94 -9.459 16.355 -1.850 1.00 0.00 C ATOM 1402 CE LYS A 94 -10.460 17.118 -0.996 1.00 0.00 C ATOM 1403 NZ LYS A 94 -11.461 17.842 -1.827 1.00 0.00 N ATOM 0 H LYS A 94 -5.544 13.156 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.414 12.697 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.980 14.911 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.364 14.280 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.643 14.552 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.297 15.568 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.669 17.031 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.953 15.984 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.974 16.423 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.930 17.830 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.125 18.349 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.973 18.523 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.985 17.160 -2.412 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.577 12.014 -3.384 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.449 11.099 -4.512 1.00 0.00 C ATOM 1419 C GLU A 95 -6.139 9.684 -4.033 1.00 0.00 C ATOM 1420 O GLU A 95 -5.812 9.471 -2.865 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.351 11.579 -5.464 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.863 12.464 -6.588 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.622 13.674 -6.077 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.798 13.514 -5.687 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -6.042 14.779 -6.069 1.00 0.00 O ATOM 0 H GLU A 95 -5.810 12.680 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.400 11.083 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.602 12.128 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.851 10.712 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.021 12.797 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.514 11.879 -7.238 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.245 8.721 -4.943 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.978 7.326 -4.613 1.00 0.00 C ATOM 1434 C ARG A 96 -5.697 6.514 -5.874 1.00 0.00 C ATOM 1435 O ARG A 96 -6.276 6.766 -6.931 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.164 6.723 -3.859 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.504 6.971 -4.532 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.431 5.774 -4.387 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.371 5.673 -5.500 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.391 6.505 -5.679 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.601 7.495 -4.822 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.204 6.347 -6.716 1.00 0.00 N ATOM 0 H ARG A 96 -6.514 8.881 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.095 7.292 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.011 5.648 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.191 7.137 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.974 7.852 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.347 7.185 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.838 4.861 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.984 5.855 -3.451 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.237 4.922 -6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.979 7.619 -4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.385 8.133 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.046 5.586 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.987 6.986 -6.852 1.00 0.00 H new ATOM 1456 N THR A 97 -4.802 5.538 -5.755 1.00 0.00 N ATOM 1457 CA THR A 97 -4.442 4.690 -6.885 1.00 0.00 C ATOM 1458 C THR A 97 -4.533 3.214 -6.515 1.00 0.00 C ATOM 1459 O THR A 97 -4.081 2.803 -5.446 1.00 0.00 O ATOM 1460 CB THR A 97 -3.018 4.995 -7.385 1.00 0.00 C ATOM 1461 OG1 THR A 97 -2.670 4.100 -8.447 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.008 4.867 -6.255 1.00 0.00 C ATOM 0 H THR A 97 -4.313 5.315 -4.888 1.00 0.00 H new ATOM 0 HA THR A 97 -5.153 4.907 -7.682 1.00 0.00 H new ATOM 0 HB THR A 97 -2.998 6.021 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.936 4.491 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.010 5.087 -6.633 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.259 5.571 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.031 3.851 -5.860 1.00 0.00 H new ATOM 1470 N SER A 98 -5.119 2.420 -7.405 1.00 0.00 N ATOM 1471 CA SER A 98 -5.272 0.989 -7.171 1.00 0.00 C ATOM 1472 C SER A 98 -4.718 0.184 -8.342 1.00 0.00 C ATOM 1473 O SER A 98 -4.812 0.602 -9.496 1.00 0.00 O ATOM 1474 CB SER A 98 -6.745 0.641 -6.949 1.00 0.00 C ATOM 1475 OG SER A 98 -7.588 1.699 -7.370 1.00 0.00 O ATOM 0 H SER A 98 -5.496 2.744 -8.296 1.00 0.00 H new ATOM 0 HA SER A 98 -4.706 0.730 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.994 -0.267 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.918 0.433 -5.893 1.00 0.00 H new ATOM 0 HG SER A 98 -8.524 1.451 -7.219 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.140 -0.973 -8.037 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.572 -1.838 -9.063 1.00 0.00 C ATOM 1483 C ALA A 99 -3.914 -3.301 -8.799 1.00 0.00 C ATOM 1484 O ALA A 99 -4.487 -3.636 -7.764 1.00 0.00 O ATOM 1485 CB ALA A 99 -2.064 -1.651 -9.136 1.00 0.00 C ATOM 0 H ALA A 99 -4.053 -1.333 -7.087 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.008 -1.558 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.653 -2.303 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.837 -0.613 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.619 -1.902 -8.173 1.00 0.00 H new ATOM 1491 N MET A 100 -3.559 -4.166 -9.743 1.00 0.00 N ATOM 1492 CA MET A 100 -3.828 -5.593 -9.611 1.00 0.00 C ATOM 1493 C MET A 100 -2.538 -6.401 -9.709 1.00 0.00 C ATOM 1494 O MET A 100 -1.922 -6.481 -10.773 1.00 0.00 O ATOM 1495 CB MET A 100 -4.813 -6.050 -10.690 1.00 0.00 C ATOM 1496 CG MET A 100 -6.250 -5.642 -10.412 1.00 0.00 C ATOM 1497 SD MET A 100 -7.393 -7.036 -10.478 1.00 0.00 S ATOM 1498 CE MET A 100 -6.826 -8.005 -9.082 1.00 0.00 C ATOM 0 H MET A 100 -3.085 -3.904 -10.607 1.00 0.00 H new ATOM 0 HA MET A 100 -4.270 -5.765 -8.629 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.505 -5.636 -11.650 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.763 -7.135 -10.780 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.308 -5.176 -9.428 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.557 -4.890 -11.139 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.377 -8.945 -9.044 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.762 -8.212 -9.191 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.994 -7.448 -8.160 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.134 -6.999 -8.593 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.916 -7.801 -8.553 1.00 0.00 C ATOM 1510 C LEU A 101 -1.205 -9.249 -8.938 1.00 0.00 C ATOM 1511 O LEU A 101 -2.212 -9.824 -8.524 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.292 -7.747 -7.158 1.00 0.00 C ATOM 1513 CG LEU A 101 1.158 -8.222 -7.052 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.114 -7.119 -7.477 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.466 -8.681 -5.634 1.00 0.00 C ATOM 0 H LEU A 101 -2.632 -6.944 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.213 -7.386 -9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.344 -6.719 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.901 -8.351 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 101 1.293 -9.069 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.141 -7.476 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.909 -6.838 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.979 -6.251 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.502 -9.016 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.314 -7.853 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.804 -9.504 -5.366 1.00 0.00 H new ATOM 1527 N THR A 102 -0.313 -9.834 -9.731 1.00 0.00 N ATOM 1528 CA THR A 102 -0.471 -11.215 -10.171 1.00 0.00 C ATOM 1529 C THR A 102 0.634 -12.101 -9.606 1.00 0.00 C ATOM 1530 O THR A 102 1.784 -11.678 -9.489 1.00 0.00 O ATOM 1531 CB THR A 102 -0.462 -11.319 -11.707 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.498 -10.499 -12.260 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.658 -12.761 -12.153 1.00 0.00 C ATOM 0 H THR A 102 0.527 -9.373 -10.082 1.00 0.00 H new ATOM 0 HA THR A 102 -1.435 -11.558 -9.797 1.00 0.00 H new ATOM 0 HB THR A 102 0.507 -10.972 -12.067 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.484 -10.569 -13.237 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.648 -12.810 -13.242 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.148 -13.378 -11.755 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.614 -13.130 -11.782 1.00 0.00 H new ATOM 1541 N VAL A 103 0.277 -13.333 -9.258 1.00 0.00 N ATOM 1542 CA VAL A 103 1.239 -14.281 -8.707 1.00 0.00 C ATOM 1543 C VAL A 103 1.169 -15.620 -9.433 1.00 0.00 C ATOM 1544 O VAL A 103 0.193 -16.359 -9.299 1.00 0.00 O ATOM 1545 CB VAL A 103 1.001 -14.511 -7.203 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.013 -15.503 -6.648 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.064 -13.193 -6.446 1.00 0.00 C ATOM 0 H VAL A 103 -0.671 -13.698 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 103 2.229 -13.846 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 103 0.004 -14.932 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.830 -15.653 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.915 -16.454 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.021 -15.113 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.894 -13.374 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.046 -12.741 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.297 -12.518 -6.826 1.00 0.00 H new ATOM 1557 N ARG A 104 2.209 -15.926 -10.201 1.00 0.00 N ATOM 1558 CA ARG A 104 2.265 -17.176 -10.949 1.00 0.00 C ATOM 1559 C ARG A 104 2.738 -18.321 -10.058 1.00 0.00 C ATOM 1560 O ARG A 104 3.106 -18.111 -8.903 1.00 0.00 O ATOM 1561 CB ARG A 104 3.198 -17.033 -12.153 1.00 0.00 C ATOM 1562 CG ARG A 104 2.779 -15.940 -13.121 1.00 0.00 C ATOM 1563 CD ARG A 104 2.867 -16.410 -14.565 1.00 0.00 C ATOM 1564 NE ARG A 104 1.865 -17.428 -14.871 1.00 0.00 N ATOM 1565 CZ ARG A 104 0.587 -17.152 -15.108 1.00 0.00 C ATOM 1566 NH1 ARG A 104 0.159 -15.898 -15.075 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -0.265 -18.133 -15.379 1.00 0.00 N ATOM 0 H ARG A 104 3.025 -15.325 -10.322 1.00 0.00 H new ATOM 0 HA ARG A 104 1.260 -17.405 -11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.207 -16.824 -11.797 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.238 -17.983 -12.686 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.758 -15.629 -12.900 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.416 -15.066 -12.982 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.734 -15.558 -15.232 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.862 -16.812 -14.755 1.00 0.00 H new ATOM 0 HE ARG A 104 2.162 -18.403 -14.905 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.811 -15.142 -14.867 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.823 -15.689 -15.257 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.061 -19.099 -15.405 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.246 -17.921 -15.561 1.00 0.00 H new ATOM 1581 N ALA A 105 2.724 -19.533 -10.604 1.00 0.00 N ATOM 1582 CA ALA A 105 3.153 -20.711 -9.860 1.00 0.00 C ATOM 1583 C ALA A 105 4.521 -21.190 -10.332 1.00 0.00 C ATOM 1584 O ALA A 105 4.886 -21.010 -11.493 1.00 0.00 O ATOM 1585 CB ALA A 105 2.125 -21.824 -9.997 1.00 0.00 C ATOM 0 H ALA A 105 2.420 -19.725 -11.559 1.00 0.00 H new ATOM 0 HA ALA A 105 3.237 -20.436 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.458 -22.698 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.167 -21.484 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.013 -22.088 -11.048 1.00 0.00 H new ATOM 1591 N MET A 106 5.274 -21.802 -9.424 1.00 0.00 N ATOM 1592 CA MET A 106 6.603 -22.308 -9.749 1.00 0.00 C ATOM 1593 C MET A 106 6.546 -23.257 -10.942 1.00 0.00 C ATOM 1594 O MET A 106 5.494 -23.794 -11.289 1.00 0.00 O ATOM 1595 CB MET A 106 7.209 -23.025 -8.541 1.00 0.00 C ATOM 1596 CG MET A 106 8.042 -22.117 -7.651 1.00 0.00 C ATOM 1597 SD MET A 106 9.012 -23.033 -6.438 1.00 0.00 S ATOM 1598 CE MET A 106 7.908 -23.003 -5.028 1.00 0.00 C ATOM 0 H MET A 106 4.987 -21.960 -8.458 1.00 0.00 H new ATOM 0 HA MET A 106 7.234 -21.459 -10.012 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.406 -23.464 -7.949 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.832 -23.848 -8.892 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.712 -21.522 -8.271 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.384 -21.420 -7.133 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.369 -23.532 -4.194 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.714 -21.970 -4.740 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.969 -23.489 -5.291 1.00 0.00 H new ATOM 1608 N PRO A 107 7.704 -23.470 -11.586 1.00 0.00 N ATOM 1609 CA PRO A 107 7.811 -24.355 -12.749 1.00 0.00 C ATOM 1610 C PRO A 107 7.634 -25.823 -12.379 1.00 0.00 C ATOM 1611 O PRO A 107 7.845 -26.214 -11.231 1.00 0.00 O ATOM 1612 CB PRO A 107 9.232 -24.099 -13.259 1.00 0.00 C ATOM 1613 CG PRO A 107 9.985 -23.628 -12.063 1.00 0.00 C ATOM 1614 CD PRO A 107 8.996 -22.863 -11.227 1.00 0.00 C ATOM 0 HA PRO A 107 7.035 -24.153 -13.488 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.673 -25.006 -13.673 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.239 -23.351 -14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.399 -24.469 -11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.823 -22.995 -12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.206 -22.965 -10.162 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.016 -21.797 -11.455 1.00 0.00 H new ATOM 1622 N SER A 108 7.246 -26.634 -13.359 1.00 0.00 N ATOM 1623 CA SER A 108 7.038 -28.059 -13.135 1.00 0.00 C ATOM 1624 C SER A 108 8.364 -28.768 -12.876 1.00 0.00 C ATOM 1625 O SER A 108 8.442 -29.684 -12.058 1.00 0.00 O ATOM 1626 CB SER A 108 6.337 -28.689 -14.339 1.00 0.00 C ATOM 1627 OG SER A 108 5.674 -29.888 -13.975 1.00 0.00 O ATOM 0 H SER A 108 7.070 -26.328 -14.316 1.00 0.00 H new ATOM 0 HA SER A 108 6.406 -28.174 -12.254 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.617 -27.984 -14.754 1.00 0.00 H new ATOM 0 HB3 SER A 108 7.067 -28.897 -15.121 1.00 0.00 H new ATOM 0 HG SER A 108 5.233 -30.270 -14.762 1.00 0.00 H new ATOM 1633 N GLY A 109 9.406 -28.337 -13.580 1.00 0.00 N ATOM 1634 CA GLY A 109 10.715 -28.940 -13.413 1.00 0.00 C ATOM 1635 C GLY A 109 11.833 -28.048 -13.916 1.00 0.00 C ATOM 1636 O GLY A 109 11.606 -26.921 -14.357 1.00 0.00 O ATOM 0 H GLY A 109 9.367 -27.581 -14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.878 -29.161 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.745 -29.890 -13.946 1.00 0.00 H new ATOM 1640 N PRO A 110 13.074 -28.554 -13.851 1.00 0.00 N ATOM 1641 CA PRO A 110 14.256 -27.811 -14.297 1.00 0.00 C ATOM 1642 C PRO A 110 14.298 -27.644 -15.812 1.00 0.00 C ATOM 1643 O PRO A 110 14.585 -28.592 -16.543 1.00 0.00 O ATOM 1644 CB PRO A 110 15.422 -28.681 -13.822 1.00 0.00 C ATOM 1645 CG PRO A 110 14.857 -30.057 -13.737 1.00 0.00 C ATOM 1646 CD PRO A 110 13.418 -29.890 -13.337 1.00 0.00 C ATOM 0 HA PRO A 110 14.274 -26.796 -13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 110 16.258 -28.639 -14.520 1.00 0.00 H new ATOM 0 HB3 PRO A 110 15.797 -28.347 -12.855 1.00 0.00 H new ATOM 0 HG2 PRO A 110 14.939 -30.572 -14.694 1.00 0.00 H new ATOM 0 HG3 PRO A 110 15.398 -30.657 -13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.787 -30.664 -13.774 1.00 0.00 H new ATOM 0 HD3 PRO A 110 13.292 -29.949 -12.256 1.00 0.00 H new ATOM 1654 N SER A 111 14.010 -26.433 -16.278 1.00 0.00 N ATOM 1655 CA SER A 111 14.011 -26.144 -17.708 1.00 0.00 C ATOM 1656 C SER A 111 15.342 -25.534 -18.137 1.00 0.00 C ATOM 1657 O SER A 111 15.398 -24.731 -19.067 1.00 0.00 O ATOM 1658 CB SER A 111 12.865 -25.193 -18.058 1.00 0.00 C ATOM 1659 OG SER A 111 12.782 -24.988 -19.458 1.00 0.00 O ATOM 0 H SER A 111 13.773 -25.636 -15.687 1.00 0.00 H new ATOM 0 HA SER A 111 13.871 -27.083 -18.244 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.924 -25.602 -17.691 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.015 -24.237 -17.556 1.00 0.00 H new ATOM 0 HG SER A 111 13.682 -24.855 -19.823 1.00 0.00 H new ATOM 1665 N SER A 112 16.413 -25.923 -17.451 1.00 0.00 N ATOM 1666 CA SER A 112 17.744 -25.412 -17.757 1.00 0.00 C ATOM 1667 C SER A 112 18.629 -26.514 -18.332 1.00 0.00 C ATOM 1668 O SER A 112 19.427 -26.276 -19.238 1.00 0.00 O ATOM 1669 CB SER A 112 18.390 -24.826 -16.501 1.00 0.00 C ATOM 1670 OG SER A 112 18.532 -25.812 -15.493 1.00 0.00 O ATOM 0 H SER A 112 16.384 -26.590 -16.680 1.00 0.00 H new ATOM 0 HA SER A 112 17.642 -24.625 -18.504 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.367 -24.413 -16.750 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.782 -24.003 -16.126 1.00 0.00 H new ATOM 0 HG SER A 112 18.949 -25.413 -14.701 1.00 0.00 H new ATOM 1676 N GLY A 113 18.481 -27.723 -17.797 1.00 0.00 N ATOM 1677 CA GLY A 113 19.273 -28.844 -18.268 1.00 0.00 C ATOM 1678 C GLY A 113 18.469 -29.804 -19.121 1.00 0.00 C ATOM 1679 O GLY A 113 19.020 -30.737 -19.706 1.00 0.00 O ATOM 0 H GLY A 113 17.827 -27.945 -17.046 1.00 0.00 H new ATOM 0 HA2 GLY A 113 20.118 -28.470 -18.846 1.00 0.00 H new ATOM 0 HA3 GLY A 113 19.684 -29.380 -17.412 1.00 0.00 H new TER 1683 GLY A 113