USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 1000 hydrogens (45 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 92 HIS : no HD1:sc= -11.8! C(o=-13!,f=-21!) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.52 K(o=-13,f=-17!) USER MOD Set 2.1: A 72 HIS : no HE2:sc= -9.72! C(o=-9.7!,f=-11!) USER MOD Set 2.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 ASN : amide:sc= -1.79 K(o=-3.7,f=-8.7!) USER MOD Set 3.2: A 54 GLN :FLIP amide:sc= -1.91 F(o=-6.6!,f=-3.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0047 (180deg=-0.41) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=-0.002) USER MOD Single : A 39 THR OG1 : rot 115:sc= -1.95 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc=-0.00592 X(o=-0.0059,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.329 F(o=-1,f=-0.33) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 64:sc= 1.13 USER MOD Single : A 111 ASN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 113 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.5!) USER MOD Single : A 121 THR OG1 : rot -90:sc= -2.26! USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.896 23.886 -22.288 1.00 1.00 N ATOM 2 CA MET A 1 78.306 22.460 -22.423 1.00 1.00 C ATOM 3 C MET A 1 77.058 21.585 -22.321 1.00 1.00 C ATOM 4 O MET A 1 76.016 22.035 -21.847 1.00 1.00 O ATOM 5 CB MET A 1 79.291 22.099 -21.305 1.00 1.00 C ATOM 6 CG MET A 1 80.568 22.931 -21.450 1.00 1.00 C ATOM 7 SD MET A 1 81.726 22.484 -20.133 1.00 1.00 S ATOM 8 CE MET A 1 82.582 24.075 -20.024 1.00 1.00 C ATOM 0 H1 MET A 1 78.350 24.450 -23.034 1.00 1.00 H new ATOM 0 H2 MET A 1 76.863 23.960 -22.379 1.00 1.00 H new ATOM 0 H3 MET A 1 78.188 24.245 -21.357 1.00 1.00 H new ATOM 0 HA MET A 1 78.794 22.299 -23.384 1.00 1.00 H new ATOM 0 HB2 MET A 1 78.835 22.283 -20.332 1.00 1.00 H new ATOM 0 HB3 MET A 1 79.531 21.037 -21.349 1.00 1.00 H new ATOM 0 HG2 MET A 1 81.022 22.754 -22.425 1.00 1.00 H new ATOM 0 HG3 MET A 1 80.331 23.994 -21.397 1.00 1.00 H new ATOM 0 HE1 MET A 1 83.354 24.021 -19.256 1.00 1.00 H new ATOM 0 HE2 MET A 1 83.042 24.307 -20.985 1.00 1.00 H new ATOM 0 HE3 MET A 1 81.867 24.856 -19.765 1.00 1.00 H new ATOM 18 N SER A 2 77.163 20.338 -22.774 1.00 1.00 N ATOM 19 CA SER A 2 76.044 19.391 -22.749 1.00 1.00 C ATOM 20 C SER A 2 76.102 18.510 -21.502 1.00 1.00 C ATOM 21 O SER A 2 75.351 17.547 -21.389 1.00 1.00 O ATOM 22 CB SER A 2 76.076 18.517 -24.000 1.00 1.00 C ATOM 23 OG SER A 2 76.181 19.348 -25.149 1.00 1.00 O ATOM 0 H SER A 2 78.022 19.954 -23.168 1.00 1.00 H new ATOM 0 HA SER A 2 75.115 19.960 -22.726 1.00 1.00 H new ATOM 0 HB2 SER A 2 76.920 17.829 -23.956 1.00 1.00 H new ATOM 0 HB3 SER A 2 75.173 17.910 -24.057 1.00 1.00 H new ATOM 0 HG SER A 2 76.204 18.791 -25.955 1.00 1.00 H new ATOM 29 N ASP A 3 76.986 18.881 -20.575 1.00 1.00 N ATOM 30 CA ASP A 3 77.154 18.158 -19.303 1.00 1.00 C ATOM 31 C ASP A 3 78.541 18.433 -18.725 1.00 1.00 C ATOM 32 O ASP A 3 79.549 17.958 -19.248 1.00 1.00 O ATOM 33 CB ASP A 3 76.940 16.638 -19.490 1.00 1.00 C ATOM 34 CG ASP A 3 77.569 15.842 -18.342 1.00 1.00 C ATOM 35 OD1 ASP A 3 78.783 15.851 -18.236 1.00 1.00 O ATOM 36 OD2 ASP A 3 76.823 15.235 -17.591 1.00 1.00 O ATOM 0 H ASP A 3 77.605 19.685 -20.679 1.00 1.00 H new ATOM 0 HA ASP A 3 76.399 18.518 -18.604 1.00 1.00 H new ATOM 0 HB2 ASP A 3 75.873 16.423 -19.543 1.00 1.00 H new ATOM 0 HB3 ASP A 3 77.376 16.321 -20.437 1.00 1.00 H new ATOM 41 N PHE A 4 78.581 19.196 -17.638 1.00 1.00 N ATOM 42 CA PHE A 4 79.848 19.523 -16.991 1.00 1.00 C ATOM 43 C PHE A 4 79.635 19.796 -15.507 1.00 1.00 C ATOM 44 O PHE A 4 78.587 20.297 -15.105 1.00 1.00 O ATOM 45 CB PHE A 4 80.470 20.754 -17.663 1.00 1.00 C ATOM 46 CG PHE A 4 81.953 20.794 -17.379 1.00 1.00 C ATOM 47 CD1 PHE A 4 82.429 21.371 -16.195 1.00 1.00 C ATOM 48 CD2 PHE A 4 82.850 20.245 -18.301 1.00 1.00 C ATOM 49 CE1 PHE A 4 83.805 21.397 -15.936 1.00 1.00 C ATOM 50 CE2 PHE A 4 84.223 20.270 -18.041 1.00 1.00 C ATOM 51 CZ PHE A 4 84.703 20.846 -16.859 1.00 1.00 C ATOM 0 H PHE A 4 77.758 19.597 -17.189 1.00 1.00 H new ATOM 0 HA PHE A 4 80.523 18.674 -17.095 1.00 1.00 H new ATOM 0 HB2 PHE A 4 80.297 20.720 -18.739 1.00 1.00 H new ATOM 0 HB3 PHE A 4 79.994 21.662 -17.292 1.00 1.00 H new ATOM 0 HD1 PHE A 4 81.736 21.795 -15.483 1.00 1.00 H new ATOM 0 HD2 PHE A 4 82.482 19.802 -19.214 1.00 1.00 H new ATOM 0 HE1 PHE A 4 84.174 21.842 -15.024 1.00 1.00 H new ATOM 0 HE2 PHE A 4 84.915 19.844 -18.753 1.00 1.00 H new ATOM 0 HZ PHE A 4 85.764 20.866 -16.659 1.00 1.00 H new ATOM 61 N ASP A 5 80.637 19.468 -14.697 1.00 1.00 N ATOM 62 CA ASP A 5 80.553 19.686 -13.259 1.00 1.00 C ATOM 63 C ASP A 5 81.968 19.841 -12.683 1.00 1.00 C ATOM 64 O ASP A 5 82.923 19.283 -13.224 1.00 1.00 O ATOM 65 CB ASP A 5 79.826 18.502 -12.610 1.00 1.00 C ATOM 66 CG ASP A 5 78.581 18.150 -13.418 1.00 1.00 C ATOM 67 OD1 ASP A 5 77.637 18.923 -13.382 1.00 1.00 O ATOM 68 OD2 ASP A 5 78.589 17.113 -14.059 1.00 1.00 O ATOM 0 H ASP A 5 81.513 19.052 -15.012 1.00 1.00 H new ATOM 0 HA ASP A 5 79.992 20.597 -13.050 1.00 1.00 H new ATOM 0 HB2 ASP A 5 80.491 17.640 -12.557 1.00 1.00 H new ATOM 0 HB3 ASP A 5 79.547 18.752 -11.586 1.00 1.00 H new ATOM 73 N THR A 6 82.101 20.611 -11.606 1.00 1.00 N ATOM 74 CA THR A 6 83.428 20.828 -11.014 1.00 1.00 C ATOM 75 C THR A 6 84.015 19.495 -10.523 1.00 1.00 C ATOM 76 O THR A 6 83.335 18.486 -10.479 1.00 1.00 O ATOM 77 CB THR A 6 83.373 21.881 -9.868 1.00 1.00 C ATOM 78 OG1 THR A 6 82.120 22.550 -9.905 1.00 1.00 O ATOM 79 CG2 THR A 6 84.495 22.915 -10.039 1.00 1.00 C ATOM 0 H THR A 6 81.332 21.086 -11.132 1.00 1.00 H new ATOM 0 HA THR A 6 84.086 21.228 -11.785 1.00 1.00 H new ATOM 0 HB THR A 6 83.499 21.370 -8.914 1.00 1.00 H new ATOM 0 HG1 THR A 6 82.081 23.212 -9.184 1.00 1.00 H new ATOM 0 HG21 THR A 6 84.444 23.644 -9.231 1.00 1.00 H new ATOM 0 HG22 THR A 6 85.461 22.411 -10.012 1.00 1.00 H new ATOM 0 HG23 THR A 6 84.378 23.424 -10.995 1.00 1.00 H new ATOM 87 N GLU A 7 85.296 19.510 -10.207 1.00 1.00 N ATOM 88 CA GLU A 7 86.000 18.300 -9.766 1.00 1.00 C ATOM 89 C GLU A 7 85.352 17.736 -8.499 1.00 1.00 C ATOM 90 O GLU A 7 84.959 16.585 -8.446 1.00 1.00 O ATOM 91 CB GLU A 7 87.459 18.661 -9.456 1.00 1.00 C ATOM 92 CG GLU A 7 88.299 17.382 -9.231 1.00 1.00 C ATOM 93 CD GLU A 7 89.328 17.599 -8.121 1.00 1.00 C ATOM 94 OE1 GLU A 7 90.416 18.058 -8.426 1.00 1.00 O ATOM 95 OE2 GLU A 7 89.009 17.302 -6.979 1.00 1.00 O ATOM 0 H GLU A 7 85.880 20.345 -10.245 1.00 1.00 H new ATOM 0 HA GLU A 7 85.948 17.551 -10.556 1.00 1.00 H new ATOM 0 HB2 GLU A 7 87.879 19.239 -10.279 1.00 1.00 H new ATOM 0 HB3 GLU A 7 87.503 19.292 -8.569 1.00 1.00 H new ATOM 0 HG2 GLU A 7 87.643 16.552 -8.968 1.00 1.00 H new ATOM 0 HG3 GLU A 7 88.807 17.107 -10.156 1.00 1.00 H new ATOM 102 N ARG A 8 85.308 18.546 -7.469 1.00 1.00 N ATOM 103 CA ARG A 8 84.760 18.064 -6.195 1.00 1.00 C ATOM 104 C ARG A 8 83.388 17.433 -6.472 1.00 1.00 C ATOM 105 O ARG A 8 83.130 16.276 -6.164 1.00 1.00 O ATOM 106 CB ARG A 8 84.584 19.233 -5.229 1.00 1.00 C ATOM 107 CG ARG A 8 84.294 18.706 -3.819 1.00 1.00 C ATOM 108 CD ARG A 8 83.639 19.805 -2.986 1.00 1.00 C ATOM 109 NE ARG A 8 84.330 21.072 -3.184 1.00 1.00 N ATOM 110 CZ ARG A 8 83.755 22.218 -2.837 1.00 1.00 C ATOM 111 NH1 ARG A 8 82.584 22.205 -2.266 1.00 1.00 N ATOM 112 NH2 ARG A 8 84.360 23.352 -3.064 1.00 1.00 N ATOM 0 H ARG A 8 85.630 19.514 -7.470 1.00 1.00 H new ATOM 0 HA ARG A 8 85.438 17.335 -5.752 1.00 1.00 H new ATOM 0 HB2 ARG A 8 85.485 19.847 -5.219 1.00 1.00 H new ATOM 0 HB3 ARG A 8 83.767 19.872 -5.563 1.00 1.00 H new ATOM 0 HG2 ARG A 8 83.639 17.837 -3.872 1.00 1.00 H new ATOM 0 HG3 ARG A 8 85.219 18.379 -3.345 1.00 1.00 H new ATOM 0 HD2 ARG A 8 82.591 19.907 -3.267 1.00 1.00 H new ATOM 0 HD3 ARG A 8 83.661 19.532 -1.931 1.00 1.00 H new ATOM 0 HE ARG A 8 85.264 21.079 -3.593 1.00 1.00 H new ATOM 0 HH11 ARG A 8 82.113 21.318 -2.088 1.00 1.00 H new ATOM 0 HH12 ARG A 8 82.138 23.082 -1.997 1.00 1.00 H new ATOM 0 HH21 ARG A 8 85.278 23.360 -3.509 1.00 1.00 H new ATOM 0 HH22 ARG A 8 83.915 24.230 -2.796 1.00 1.00 H new ATOM 126 N VAL A 9 82.551 18.226 -7.094 1.00 1.00 N ATOM 127 CA VAL A 9 81.207 17.759 -7.451 1.00 1.00 C ATOM 128 C VAL A 9 81.309 16.570 -8.431 1.00 1.00 C ATOM 129 O VAL A 9 80.681 15.547 -8.235 1.00 1.00 O ATOM 130 CB VAL A 9 80.347 18.896 -8.013 1.00 1.00 C ATOM 131 CG1 VAL A 9 81.050 19.532 -9.194 1.00 1.00 C ATOM 132 CG2 VAL A 9 78.980 18.361 -8.454 1.00 1.00 C ATOM 0 H VAL A 9 82.759 19.187 -7.366 1.00 1.00 H new ATOM 0 HA VAL A 9 80.705 17.413 -6.547 1.00 1.00 H new ATOM 0 HB VAL A 9 80.198 19.643 -7.233 1.00 1.00 H new ATOM 0 HG11 VAL A 9 80.436 20.340 -9.591 1.00 1.00 H new ATOM 0 HG12 VAL A 9 82.012 19.932 -8.873 1.00 1.00 H new ATOM 0 HG13 VAL A 9 81.209 18.783 -9.969 1.00 1.00 H new ATOM 0 HG21 VAL A 9 78.380 19.180 -8.851 1.00 1.00 H new ATOM 0 HG22 VAL A 9 79.117 17.604 -9.226 1.00 1.00 H new ATOM 0 HG23 VAL A 9 78.469 17.918 -7.599 1.00 1.00 H new ATOM 142 N SER A 10 82.115 16.733 -9.472 1.00 1.00 N ATOM 143 CA SER A 10 82.277 15.647 -10.466 1.00 1.00 C ATOM 144 C SER A 10 82.882 14.408 -9.786 1.00 1.00 C ATOM 145 O SER A 10 82.324 13.325 -9.832 1.00 1.00 O ATOM 146 CB SER A 10 83.184 16.089 -11.610 1.00 1.00 C ATOM 147 OG SER A 10 83.358 15.008 -12.521 1.00 1.00 O ATOM 0 H SER A 10 82.658 17.576 -9.659 1.00 1.00 H new ATOM 0 HA SER A 10 81.295 15.404 -10.872 1.00 1.00 H new ATOM 0 HB2 SER A 10 82.748 16.946 -12.124 1.00 1.00 H new ATOM 0 HB3 SER A 10 84.150 16.409 -11.220 1.00 1.00 H new ATOM 0 HG SER A 10 83.939 15.291 -13.257 1.00 1.00 H new ATOM 153 N ARG A 11 84.062 14.556 -9.220 1.00 1.00 N ATOM 154 CA ARG A 11 84.722 13.420 -8.585 1.00 1.00 C ATOM 155 C ARG A 11 83.879 12.908 -7.405 1.00 1.00 C ATOM 156 O ARG A 11 83.514 11.746 -7.350 1.00 1.00 O ATOM 157 CB ARG A 11 86.109 13.851 -8.084 1.00 1.00 C ATOM 158 CG ARG A 11 86.902 12.630 -7.534 1.00 1.00 C ATOM 159 CD ARG A 11 88.174 12.391 -8.368 1.00 1.00 C ATOM 160 NE ARG A 11 87.819 12.108 -9.755 1.00 1.00 N ATOM 161 CZ ARG A 11 88.674 11.511 -10.582 1.00 1.00 C ATOM 162 NH1 ARG A 11 89.849 11.139 -10.155 1.00 1.00 N ATOM 163 NH2 ARG A 11 88.335 11.292 -11.825 1.00 1.00 N ATOM 0 H ARG A 11 84.581 15.433 -9.183 1.00 1.00 H new ATOM 0 HA ARG A 11 84.830 12.616 -9.313 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.666 14.316 -8.897 1.00 1.00 H new ATOM 0 HB3 ARG A 11 86.001 14.602 -7.302 1.00 1.00 H new ATOM 0 HG2 ARG A 11 87.171 12.803 -6.492 1.00 1.00 H new ATOM 0 HG3 ARG A 11 86.273 11.740 -7.557 1.00 1.00 H new ATOM 0 HD2 ARG A 11 88.819 13.269 -8.321 1.00 1.00 H new ATOM 0 HD3 ARG A 11 88.740 11.557 -7.952 1.00 1.00 H new ATOM 0 HE ARG A 11 86.896 12.373 -10.098 1.00 1.00 H new ATOM 0 HH11 ARG A 11 90.115 11.305 -9.184 1.00 1.00 H new ATOM 0 HH12 ARG A 11 90.502 10.682 -10.792 1.00 1.00 H new ATOM 0 HH21 ARG A 11 87.416 11.579 -12.161 1.00 1.00 H new ATOM 0 HH22 ARG A 11 88.990 10.835 -12.459 1.00 1.00 H new ATOM 177 N ALA A 12 83.605 13.790 -6.458 1.00 1.00 N ATOM 178 CA ALA A 12 82.836 13.356 -5.275 1.00 1.00 C ATOM 179 C ALA A 12 81.582 12.620 -5.768 1.00 1.00 C ATOM 180 O ALA A 12 81.324 11.484 -5.385 1.00 1.00 O ATOM 181 CB ALA A 12 82.432 14.517 -4.365 1.00 1.00 C ATOM 0 H ALA A 12 83.883 14.771 -6.468 1.00 1.00 H new ATOM 0 HA ALA A 12 83.472 12.704 -4.676 1.00 1.00 H new ATOM 0 HB1 ALA A 12 81.870 14.133 -3.514 1.00 1.00 H new ATOM 0 HB2 ALA A 12 83.326 15.028 -4.009 1.00 1.00 H new ATOM 0 HB3 ALA A 12 81.812 15.218 -4.923 1.00 1.00 H new ATOM 187 N VAL A 13 80.840 13.251 -6.664 1.00 1.00 N ATOM 188 CA VAL A 13 79.673 12.536 -7.179 1.00 1.00 C ATOM 189 C VAL A 13 80.166 11.256 -7.868 1.00 1.00 C ATOM 190 O VAL A 13 79.700 10.196 -7.540 1.00 1.00 O ATOM 191 CB VAL A 13 78.700 13.346 -8.080 1.00 1.00 C ATOM 192 CG1 VAL A 13 78.355 14.698 -7.414 1.00 1.00 C ATOM 193 CG2 VAL A 13 79.268 13.551 -9.494 1.00 1.00 C ATOM 0 H VAL A 13 81.002 14.189 -7.032 1.00 1.00 H new ATOM 0 HA VAL A 13 79.045 12.311 -6.317 1.00 1.00 H new ATOM 0 HB VAL A 13 77.782 12.768 -8.188 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.673 15.256 -8.055 1.00 1.00 H new ATOM 0 HG12 VAL A 13 77.881 14.518 -6.449 1.00 1.00 H new ATOM 0 HG13 VAL A 13 79.268 15.275 -7.267 1.00 1.00 H new ATOM 0 HG21 VAL A 13 78.558 14.122 -10.092 1.00 1.00 H new ATOM 0 HG22 VAL A 13 80.210 14.096 -9.432 1.00 1.00 H new ATOM 0 HG23 VAL A 13 79.439 12.581 -9.961 1.00 1.00 H new ATOM 203 N ALA A 14 81.149 11.329 -8.767 1.00 1.00 N ATOM 204 CA ALA A 14 81.623 10.080 -9.402 1.00 1.00 C ATOM 205 C ALA A 14 82.103 9.072 -8.342 1.00 1.00 C ATOM 206 O ALA A 14 81.563 7.982 -8.248 1.00 1.00 O ATOM 207 CB ALA A 14 82.769 10.384 -10.367 1.00 1.00 C ATOM 0 H ALA A 14 81.616 12.185 -9.066 1.00 1.00 H new ATOM 0 HA ALA A 14 80.789 9.642 -9.950 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.111 9.458 -10.829 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.421 11.069 -11.140 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.593 10.842 -9.820 1.00 1.00 H new ATOM 213 N ALA A 15 83.141 9.412 -7.582 1.00 1.00 N ATOM 214 CA ALA A 15 83.662 8.474 -6.577 1.00 1.00 C ATOM 215 C ALA A 15 82.542 8.046 -5.621 1.00 1.00 C ATOM 216 O ALA A 15 82.279 6.869 -5.436 1.00 1.00 O ATOM 217 CB ALA A 15 84.785 9.132 -5.766 1.00 1.00 C ATOM 0 H ALA A 15 83.631 10.305 -7.635 1.00 1.00 H new ATOM 0 HA ALA A 15 84.053 7.600 -7.097 1.00 1.00 H new ATOM 0 HB1 ALA A 15 85.161 8.426 -5.026 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.595 9.422 -6.435 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.398 10.016 -5.260 1.00 1.00 H new ATOM 223 N ALA A 16 81.909 9.024 -5.006 1.00 1.00 N ATOM 224 CA ALA A 16 80.835 8.711 -4.063 1.00 1.00 C ATOM 225 C ALA A 16 79.759 7.898 -4.813 1.00 1.00 C ATOM 226 O ALA A 16 79.337 6.823 -4.389 1.00 1.00 O ATOM 227 CB ALA A 16 80.255 10.009 -3.477 1.00 1.00 C ATOM 0 H ALA A 16 82.105 10.017 -5.131 1.00 1.00 H new ATOM 0 HA ALA A 16 81.214 8.120 -3.229 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.456 9.767 -2.776 1.00 1.00 H new ATOM 0 HB2 ALA A 16 81.041 10.556 -2.956 1.00 1.00 H new ATOM 0 HB3 ALA A 16 79.856 10.626 -4.283 1.00 1.00 H new ATOM 233 N LEU A 17 79.322 8.489 -5.912 1.00 1.00 N ATOM 234 CA LEU A 17 78.255 7.847 -6.715 1.00 1.00 C ATOM 235 C LEU A 17 78.712 6.421 -7.040 1.00 1.00 C ATOM 236 O LEU A 17 77.962 5.466 -6.859 1.00 1.00 O ATOM 237 CB LEU A 17 77.872 8.571 -8.021 1.00 1.00 C ATOM 238 CG LEU A 17 76.661 7.875 -8.666 1.00 1.00 C ATOM 239 CD1 LEU A 17 75.408 8.028 -7.776 1.00 1.00 C ATOM 240 CD2 LEU A 17 76.400 8.505 -10.039 1.00 1.00 C ATOM 0 H LEU A 17 79.664 9.380 -6.272 1.00 1.00 H new ATOM 0 HA LEU A 17 77.351 7.880 -6.107 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.635 9.615 -7.813 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.716 8.567 -8.711 1.00 1.00 H new ATOM 0 HG LEU A 17 76.876 6.812 -8.776 1.00 1.00 H new ATOM 0 HD11 LEU A 17 74.562 7.529 -8.249 1.00 1.00 H new ATOM 0 HD12 LEU A 17 75.596 7.577 -6.802 1.00 1.00 H new ATOM 0 HD13 LEU A 17 75.180 9.086 -7.648 1.00 1.00 H new ATOM 0 HD21 LEU A 17 75.543 8.019 -10.505 1.00 1.00 H new ATOM 0 HD22 LEU A 17 76.193 9.568 -9.918 1.00 1.00 H new ATOM 0 HD23 LEU A 17 77.279 8.376 -10.671 1.00 1.00 H new ATOM 252 N VAL A 18 79.943 6.294 -7.527 1.00 1.00 N ATOM 253 CA VAL A 18 80.485 4.976 -7.872 1.00 1.00 C ATOM 254 C VAL A 18 80.680 4.132 -6.601 1.00 1.00 C ATOM 255 O VAL A 18 80.135 3.033 -6.477 1.00 1.00 O ATOM 256 CB VAL A 18 81.844 5.155 -8.578 1.00 1.00 C ATOM 257 CG1 VAL A 18 82.539 3.796 -8.726 1.00 1.00 C ATOM 258 CG2 VAL A 18 81.644 5.783 -9.968 1.00 1.00 C ATOM 0 H VAL A 18 80.580 7.074 -7.691 1.00 1.00 H new ATOM 0 HA VAL A 18 79.785 4.465 -8.534 1.00 1.00 H new ATOM 0 HB VAL A 18 82.466 5.816 -7.974 1.00 1.00 H new ATOM 0 HG11 VAL A 18 83.498 3.930 -9.226 1.00 1.00 H new ATOM 0 HG12 VAL A 18 82.701 3.361 -7.740 1.00 1.00 H new ATOM 0 HG13 VAL A 18 81.912 3.129 -9.318 1.00 1.00 H new ATOM 0 HG21 VAL A 18 82.611 5.904 -10.455 1.00 1.00 H new ATOM 0 HG22 VAL A 18 81.011 5.134 -10.573 1.00 1.00 H new ATOM 0 HG23 VAL A 18 81.167 6.757 -9.862 1.00 1.00 H new ATOM 268 N GLY A 19 81.485 4.659 -5.681 1.00 1.00 N ATOM 269 CA GLY A 19 81.801 3.974 -4.427 1.00 1.00 C ATOM 270 C GLY A 19 80.607 3.938 -3.477 1.00 1.00 C ATOM 271 O GLY A 19 79.473 4.138 -3.894 1.00 1.00 O ATOM 0 H GLY A 19 81.935 5.569 -5.782 1.00 1.00 H new ATOM 0 HA2 GLY A 19 82.124 2.955 -4.642 1.00 1.00 H new ATOM 0 HA3 GLY A 19 82.636 4.477 -3.940 1.00 1.00 H new ATOM 275 N PRO A 20 80.844 3.648 -2.217 1.00 1.00 N ATOM 276 CA PRO A 20 79.761 3.540 -1.197 1.00 1.00 C ATOM 277 C PRO A 20 79.242 4.878 -0.639 1.00 1.00 C ATOM 278 O PRO A 20 78.115 4.940 -0.174 1.00 1.00 O ATOM 279 CB PRO A 20 80.398 2.683 -0.091 1.00 1.00 C ATOM 280 CG PRO A 20 81.882 2.908 -0.197 1.00 1.00 C ATOM 281 CD PRO A 20 82.172 3.409 -1.626 1.00 1.00 C ATOM 0 HA PRO A 20 78.863 3.111 -1.642 1.00 1.00 H new ATOM 0 HB2 PRO A 20 80.028 2.976 0.892 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.152 1.629 -0.223 1.00 1.00 H new ATOM 0 HG2 PRO A 20 82.213 3.639 0.541 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.425 1.985 0.004 1.00 1.00 H new ATOM 0 HD2 PRO A 20 82.769 4.321 -1.612 1.00 1.00 H new ATOM 0 HD3 PRO A 20 82.733 2.670 -2.198 1.00 1.00 H new ATOM 289 N GLY A 21 80.066 5.924 -0.629 1.00 1.00 N ATOM 290 CA GLY A 21 79.605 7.196 -0.036 1.00 1.00 C ATOM 291 C GLY A 21 78.350 7.711 -0.750 1.00 1.00 C ATOM 292 O GLY A 21 77.312 7.938 -0.128 1.00 1.00 O ATOM 0 H GLY A 21 81.015 5.930 -1.004 1.00 1.00 H new ATOM 0 HA2 GLY A 21 79.392 7.052 1.023 1.00 1.00 H new ATOM 0 HA3 GLY A 21 80.398 7.941 -0.103 1.00 1.00 H new ATOM 296 N GLY A 22 78.476 7.923 -2.042 1.00 1.00 N ATOM 297 CA GLY A 22 77.343 8.450 -2.811 1.00 1.00 C ATOM 298 C GLY A 22 76.196 7.480 -2.668 1.00 1.00 C ATOM 299 O GLY A 22 75.089 7.843 -2.269 1.00 1.00 O ATOM 0 H GLY A 22 79.324 7.748 -2.581 1.00 1.00 H new ATOM 0 HA2 GLY A 22 77.058 9.436 -2.443 1.00 1.00 H new ATOM 0 HA3 GLY A 22 77.615 8.568 -3.860 1.00 1.00 H new ATOM 303 N VAL A 23 76.478 6.241 -3.007 1.00 1.00 N ATOM 304 CA VAL A 23 75.464 5.198 -2.931 1.00 1.00 C ATOM 305 C VAL A 23 74.920 5.110 -1.513 1.00 1.00 C ATOM 306 O VAL A 23 73.735 4.867 -1.310 1.00 1.00 O ATOM 307 CB VAL A 23 76.040 3.851 -3.363 1.00 1.00 C ATOM 308 CG1 VAL A 23 74.945 2.781 -3.326 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.569 3.984 -4.784 1.00 1.00 C ATOM 0 H VAL A 23 77.391 5.927 -3.336 1.00 1.00 H new ATOM 0 HA VAL A 23 74.650 5.452 -3.610 1.00 1.00 H new ATOM 0 HB VAL A 23 76.844 3.559 -2.687 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.362 1.823 -3.635 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.553 2.696 -2.312 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.139 3.062 -4.004 1.00 1.00 H new ATOM 0 HG21 VAL A 23 76.984 3.030 -5.108 1.00 1.00 H new ATOM 0 HG22 VAL A 23 75.755 4.271 -5.450 1.00 1.00 H new ATOM 0 HG23 VAL A 23 77.347 4.747 -4.813 1.00 1.00 H new ATOM 319 N ALA A 24 75.804 5.302 -0.545 1.00 1.00 N ATOM 320 CA ALA A 24 75.359 5.230 0.840 1.00 1.00 C ATOM 321 C ALA A 24 74.239 6.256 1.064 1.00 1.00 C ATOM 322 O ALA A 24 73.133 5.870 1.437 1.00 1.00 O ATOM 323 CB ALA A 24 76.513 5.457 1.820 1.00 1.00 C ATOM 0 H ALA A 24 76.795 5.501 -0.682 1.00 1.00 H new ATOM 0 HA ALA A 24 74.977 4.227 1.031 1.00 1.00 H new ATOM 0 HB1 ALA A 24 76.140 5.395 2.842 1.00 1.00 H new ATOM 0 HB2 ALA A 24 77.277 4.694 1.666 1.00 1.00 H new ATOM 0 HB3 ALA A 24 76.946 6.443 1.651 1.00 1.00 H new ATOM 329 N LEU A 25 74.494 7.564 0.869 1.00 1.00 N ATOM 330 CA LEU A 25 73.440 8.541 1.104 1.00 1.00 C ATOM 331 C LEU A 25 72.261 8.341 0.153 1.00 1.00 C ATOM 332 O LEU A 25 71.112 8.431 0.578 1.00 1.00 O ATOM 333 CB LEU A 25 73.970 9.978 0.950 1.00 1.00 C ATOM 334 CG LEU A 25 72.912 10.996 1.455 1.00 1.00 C ATOM 335 CD1 LEU A 25 73.030 11.180 2.972 1.00 1.00 C ATOM 336 CD2 LEU A 25 73.116 12.356 0.776 1.00 1.00 C ATOM 0 H LEU A 25 75.388 7.948 0.561 1.00 1.00 H new ATOM 0 HA LEU A 25 73.097 8.389 2.127 1.00 1.00 H new ATOM 0 HB2 LEU A 25 74.896 10.094 1.514 1.00 1.00 H new ATOM 0 HB3 LEU A 25 74.206 10.176 -0.095 1.00 1.00 H new ATOM 0 HG LEU A 25 71.924 10.607 1.209 1.00 1.00 H new ATOM 0 HD11 LEU A 25 72.282 11.897 3.311 1.00 1.00 H new ATOM 0 HD12 LEU A 25 72.867 10.223 3.468 1.00 1.00 H new ATOM 0 HD13 LEU A 25 74.025 11.551 3.217 1.00 1.00 H new ATOM 0 HD21 LEU A 25 72.367 13.060 1.139 1.00 1.00 H new ATOM 0 HD22 LEU A 25 74.112 12.733 1.009 1.00 1.00 H new ATOM 0 HD23 LEU A 25 73.014 12.243 -0.303 1.00 1.00 H new ATOM 348 N VAL A 26 72.510 8.109 -1.139 1.00 1.00 N ATOM 349 CA VAL A 26 71.379 7.969 -2.048 1.00 1.00 C ATOM 350 C VAL A 26 70.504 6.784 -1.636 1.00 1.00 C ATOM 351 O VAL A 26 69.319 6.965 -1.368 1.00 1.00 O ATOM 352 CB VAL A 26 71.897 7.772 -3.478 1.00 1.00 C ATOM 353 CG1 VAL A 26 70.733 7.454 -4.420 1.00 1.00 C ATOM 354 CG2 VAL A 26 72.590 9.054 -3.947 1.00 1.00 C ATOM 0 H VAL A 26 73.435 8.019 -1.559 1.00 1.00 H new ATOM 0 HA VAL A 26 70.772 8.873 -2.004 1.00 1.00 H new ATOM 0 HB VAL A 26 72.604 6.942 -3.490 1.00 1.00 H new ATOM 0 HG11 VAL A 26 71.112 7.316 -5.433 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.237 6.541 -4.090 1.00 1.00 H new ATOM 0 HG13 VAL A 26 70.020 8.278 -4.409 1.00 1.00 H new ATOM 0 HG21 VAL A 26 72.959 8.917 -4.963 1.00 1.00 H new ATOM 0 HG22 VAL A 26 71.879 9.880 -3.928 1.00 1.00 H new ATOM 0 HG23 VAL A 26 73.426 9.279 -3.284 1.00 1.00 H new ATOM 364 N VAL A 27 71.058 5.571 -1.626 1.00 1.00 N ATOM 365 CA VAL A 27 70.275 4.375 -1.295 1.00 1.00 C ATOM 366 C VAL A 27 69.637 4.436 0.093 1.00 1.00 C ATOM 367 O VAL A 27 68.521 3.962 0.295 1.00 1.00 O ATOM 368 CB VAL A 27 71.202 3.141 -1.395 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.033 2.978 -0.109 1.00 1.00 C ATOM 370 CG2 VAL A 27 70.369 1.875 -1.618 1.00 1.00 C ATOM 0 H VAL A 27 72.038 5.389 -1.841 1.00 1.00 H new ATOM 0 HA VAL A 27 69.451 4.309 -2.006 1.00 1.00 H new ATOM 0 HB VAL A 27 71.876 3.291 -2.238 1.00 1.00 H new ATOM 0 HG11 VAL A 27 72.678 2.104 -0.201 1.00 1.00 H new ATOM 0 HG12 VAL A 27 72.646 3.867 0.043 1.00 1.00 H new ATOM 0 HG13 VAL A 27 71.365 2.848 0.742 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.031 1.012 -1.687 1.00 1.00 H new ATOM 0 HG22 VAL A 27 69.682 1.740 -0.783 1.00 1.00 H new ATOM 0 HG23 VAL A 27 69.801 1.972 -2.543 1.00 1.00 H new ATOM 380 N LYS A 28 70.350 5.001 1.043 1.00 1.00 N ATOM 381 CA LYS A 28 69.837 5.079 2.398 1.00 1.00 C ATOM 382 C LYS A 28 68.656 6.019 2.418 1.00 1.00 C ATOM 383 O LYS A 28 67.576 5.703 2.920 1.00 1.00 O ATOM 384 CB LYS A 28 70.957 5.584 3.318 1.00 1.00 C ATOM 385 CG LYS A 28 70.496 5.594 4.784 1.00 1.00 C ATOM 386 CD LYS A 28 71.645 6.062 5.699 1.00 1.00 C ATOM 387 CE LYS A 28 72.598 4.896 6.002 1.00 1.00 C ATOM 388 NZ LYS A 28 73.710 5.376 6.870 1.00 1.00 N ATOM 0 H LYS A 28 71.275 5.409 0.908 1.00 1.00 H new ATOM 0 HA LYS A 28 69.509 4.100 2.748 1.00 1.00 H new ATOM 0 HB2 LYS A 28 71.835 4.947 3.213 1.00 1.00 H new ATOM 0 HB3 LYS A 28 71.254 6.589 3.019 1.00 1.00 H new ATOM 0 HG2 LYS A 28 69.637 6.256 4.899 1.00 1.00 H new ATOM 0 HG3 LYS A 28 70.171 4.596 5.078 1.00 1.00 H new ATOM 0 HD2 LYS A 28 72.193 6.873 5.219 1.00 1.00 H new ATOM 0 HD3 LYS A 28 71.239 6.459 6.629 1.00 1.00 H new ATOM 0 HE2 LYS A 28 72.057 4.090 6.498 1.00 1.00 H new ATOM 0 HE3 LYS A 28 72.997 4.488 5.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 74.355 4.587 7.075 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 74.231 6.131 6.381 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 73.320 5.745 7.761 1.00 1.00 H new ATOM 402 N VAL A 29 68.910 7.197 1.901 1.00 1.00 N ATOM 403 CA VAL A 29 67.891 8.237 1.893 1.00 1.00 C ATOM 404 C VAL A 29 66.703 7.825 1.040 1.00 1.00 C ATOM 405 O VAL A 29 65.560 7.932 1.486 1.00 1.00 O ATOM 406 CB VAL A 29 68.458 9.576 1.421 1.00 1.00 C ATOM 407 CG1 VAL A 29 67.323 10.601 1.299 1.00 1.00 C ATOM 408 CG2 VAL A 29 69.467 10.079 2.457 1.00 1.00 C ATOM 0 H VAL A 29 69.801 7.465 1.483 1.00 1.00 H new ATOM 0 HA VAL A 29 67.548 8.367 2.919 1.00 1.00 H new ATOM 0 HB VAL A 29 68.941 9.447 0.452 1.00 1.00 H new ATOM 0 HG11 VAL A 29 67.729 11.555 0.962 1.00 1.00 H new ATOM 0 HG12 VAL A 29 66.587 10.245 0.578 1.00 1.00 H new ATOM 0 HG13 VAL A 29 66.845 10.732 2.270 1.00 1.00 H new ATOM 0 HG21 VAL A 29 69.878 11.034 2.130 1.00 1.00 H new ATOM 0 HG22 VAL A 29 68.968 10.208 3.418 1.00 1.00 H new ATOM 0 HG23 VAL A 29 70.274 9.353 2.561 1.00 1.00 H new ATOM 418 N CYS A 30 66.949 7.355 -0.179 1.00 1.00 N ATOM 419 CA CYS A 30 65.833 6.960 -1.015 1.00 1.00 C ATOM 420 C CYS A 30 65.125 5.755 -0.387 1.00 1.00 C ATOM 421 O CYS A 30 63.926 5.810 -0.114 1.00 1.00 O ATOM 422 CB CYS A 30 66.347 6.603 -2.430 1.00 1.00 C ATOM 423 SG CYS A 30 65.164 7.148 -3.690 1.00 1.00 S ATOM 0 H CYS A 30 67.874 7.243 -0.593 1.00 1.00 H new ATOM 0 HA CYS A 30 65.124 7.784 -1.095 1.00 1.00 H new ATOM 0 HB2 CYS A 30 67.314 7.075 -2.602 1.00 1.00 H new ATOM 0 HB3 CYS A 30 66.500 5.527 -2.507 1.00 1.00 H new ATOM 428 N ALA A 31 65.847 4.648 -0.231 1.00 1.00 N ATOM 429 CA ALA A 31 65.268 3.409 0.272 1.00 1.00 C ATOM 430 C ALA A 31 64.778 3.505 1.707 1.00 1.00 C ATOM 431 O ALA A 31 63.629 3.166 1.996 1.00 1.00 O ATOM 432 CB ALA A 31 66.337 2.305 0.161 1.00 1.00 C ATOM 0 H ALA A 31 66.842 4.586 -0.448 1.00 1.00 H new ATOM 0 HA ALA A 31 64.389 3.184 -0.331 1.00 1.00 H new ATOM 0 HB1 ALA A 31 65.929 1.365 0.532 1.00 1.00 H new ATOM 0 HB2 ALA A 31 66.631 2.187 -0.882 1.00 1.00 H new ATOM 0 HB3 ALA A 31 67.208 2.581 0.755 1.00 1.00 H new ATOM 438 N GLY A 32 65.647 3.922 2.616 1.00 1.00 N ATOM 439 CA GLY A 32 65.267 3.995 4.019 1.00 1.00 C ATOM 440 C GLY A 32 65.452 2.625 4.667 1.00 1.00 C ATOM 441 O GLY A 32 64.481 1.909 4.884 1.00 1.00 O ATOM 0 H GLY A 32 66.604 4.210 2.413 1.00 1.00 H new ATOM 0 HA2 GLY A 32 65.876 4.738 4.534 1.00 1.00 H new ATOM 0 HA3 GLY A 32 64.229 4.315 4.110 1.00 1.00 H new ATOM 445 N LEU A 33 66.720 2.279 4.937 1.00 1.00 N ATOM 446 CA LEU A 33 67.107 0.986 5.541 1.00 1.00 C ATOM 447 C LEU A 33 67.262 -0.089 4.456 1.00 1.00 C ATOM 448 O LEU A 33 66.326 -0.828 4.186 1.00 1.00 O ATOM 449 CB LEU A 33 66.084 0.486 6.579 1.00 1.00 C ATOM 450 CG LEU A 33 65.805 1.573 7.638 1.00 1.00 C ATOM 451 CD1 LEU A 33 64.449 1.311 8.298 1.00 1.00 C ATOM 452 CD2 LEU A 33 66.902 1.551 8.712 1.00 1.00 C ATOM 0 H LEU A 33 67.514 2.889 4.743 1.00 1.00 H new ATOM 0 HA LEU A 33 68.056 1.159 6.049 1.00 1.00 H new ATOM 0 HB2 LEU A 33 65.155 0.212 6.079 1.00 1.00 H new ATOM 0 HB3 LEU A 33 66.462 -0.414 7.065 1.00 1.00 H new ATOM 0 HG LEU A 33 65.795 2.548 7.151 1.00 1.00 H new ATOM 0 HD11 LEU A 33 64.254 2.080 9.046 1.00 1.00 H new ATOM 0 HD12 LEU A 33 63.665 1.334 7.541 1.00 1.00 H new ATOM 0 HD13 LEU A 33 64.461 0.333 8.778 1.00 1.00 H new ATOM 0 HD21 LEU A 33 66.698 2.321 9.456 1.00 1.00 H new ATOM 0 HD22 LEU A 33 66.918 0.574 9.196 1.00 1.00 H new ATOM 0 HD23 LEU A 33 67.870 1.742 8.248 1.00 1.00 H new ATOM 464 N PRO A 34 68.416 -0.182 3.835 1.00 1.00 N ATOM 465 CA PRO A 34 68.692 -1.192 2.750 1.00 1.00 C ATOM 466 C PRO A 34 68.423 -2.650 3.159 1.00 1.00 C ATOM 467 O PRO A 34 68.083 -3.480 2.319 1.00 1.00 O ATOM 468 CB PRO A 34 70.192 -0.991 2.456 1.00 1.00 C ATOM 469 CG PRO A 34 70.476 0.415 2.864 1.00 1.00 C ATOM 470 CD PRO A 34 69.588 0.678 4.077 1.00 1.00 C ATOM 0 HA PRO A 34 68.032 -1.033 1.897 1.00 1.00 H new ATOM 0 HB2 PRO A 34 70.803 -1.697 3.018 1.00 1.00 H new ATOM 0 HB3 PRO A 34 70.413 -1.149 1.400 1.00 1.00 H new ATOM 0 HG2 PRO A 34 71.529 0.546 3.113 1.00 1.00 H new ATOM 0 HG3 PRO A 34 70.251 1.111 2.056 1.00 1.00 H new ATOM 0 HD2 PRO A 34 70.092 0.418 5.008 1.00 1.00 H new ATOM 0 HD3 PRO A 34 69.307 1.729 4.149 1.00 1.00 H new ATOM 478 N GLY A 35 68.607 -2.958 4.434 1.00 1.00 N ATOM 479 CA GLY A 35 68.398 -4.341 4.861 1.00 1.00 C ATOM 480 C GLY A 35 66.968 -4.765 4.544 1.00 1.00 C ATOM 481 O GLY A 35 66.747 -5.719 3.795 1.00 1.00 O ATOM 0 H GLY A 35 68.888 -2.305 5.166 1.00 1.00 H new ATOM 0 HA2 GLY A 35 69.104 -4.999 4.354 1.00 1.00 H new ATOM 0 HA3 GLY A 35 68.587 -4.434 5.930 1.00 1.00 H new ATOM 485 N VAL A 36 66.001 -4.037 5.085 1.00 1.00 N ATOM 486 CA VAL A 36 64.593 -4.324 4.823 1.00 1.00 C ATOM 487 C VAL A 36 64.151 -3.374 3.726 1.00 1.00 C ATOM 488 O VAL A 36 64.873 -2.428 3.464 1.00 1.00 O ATOM 489 CB VAL A 36 63.768 -4.138 6.105 1.00 1.00 C ATOM 490 CG1 VAL A 36 63.699 -2.657 6.478 1.00 1.00 C ATOM 491 CG2 VAL A 36 62.351 -4.684 5.898 1.00 1.00 C ATOM 0 H VAL A 36 66.163 -3.245 5.707 1.00 1.00 H new ATOM 0 HA VAL A 36 64.445 -5.356 4.505 1.00 1.00 H new ATOM 0 HB VAL A 36 64.250 -4.686 6.914 1.00 1.00 H new ATOM 0 HG11 VAL A 36 63.112 -2.538 7.388 1.00 1.00 H new ATOM 0 HG12 VAL A 36 64.707 -2.276 6.644 1.00 1.00 H new ATOM 0 HG13 VAL A 36 63.229 -2.099 5.668 1.00 1.00 H new ATOM 0 HG21 VAL A 36 61.772 -4.549 6.811 1.00 1.00 H new ATOM 0 HG22 VAL A 36 61.870 -4.147 5.080 1.00 1.00 H new ATOM 0 HG23 VAL A 36 62.402 -5.745 5.655 1.00 1.00 H new ATOM 501 N ILE A 37 62.994 -3.630 3.094 1.00 1.00 N ATOM 502 CA ILE A 37 62.451 -2.799 1.995 1.00 1.00 C ATOM 503 C ILE A 37 62.354 -3.631 0.727 1.00 1.00 C ATOM 504 O ILE A 37 63.350 -4.175 0.253 1.00 1.00 O ATOM 505 CB ILE A 37 63.284 -1.538 1.666 1.00 1.00 C ATOM 506 CG1 ILE A 37 62.451 -0.641 0.728 1.00 1.00 C ATOM 507 CG2 ILE A 37 64.609 -1.914 0.952 1.00 1.00 C ATOM 508 CD1 ILE A 37 63.271 0.579 0.312 1.00 1.00 C ATOM 0 H ILE A 37 62.400 -4.425 3.330 1.00 1.00 H new ATOM 0 HA ILE A 37 61.477 -2.460 2.348 1.00 1.00 H new ATOM 0 HB ILE A 37 63.528 -1.022 2.594 1.00 1.00 H new ATOM 0 HG12 ILE A 37 62.148 -1.205 -0.154 1.00 1.00 H new ATOM 0 HG13 ILE A 37 61.538 -0.322 1.231 1.00 1.00 H new ATOM 0 HG21 ILE A 37 65.174 -1.008 0.733 1.00 1.00 H new ATOM 0 HG22 ILE A 37 65.200 -2.562 1.599 1.00 1.00 H new ATOM 0 HG23 ILE A 37 64.386 -2.436 0.022 1.00 1.00 H new ATOM 0 HD11 ILE A 37 62.677 1.208 -0.350 1.00 1.00 H new ATOM 0 HD12 ILE A 37 63.551 1.148 1.198 1.00 1.00 H new ATOM 0 HD13 ILE A 37 64.171 0.252 -0.209 1.00 1.00 H new ATOM 520 N HIS A 38 61.162 -3.719 0.157 1.00 1.00 N ATOM 521 CA HIS A 38 60.969 -4.468 -1.074 1.00 1.00 C ATOM 522 C HIS A 38 59.997 -3.690 -1.947 1.00 1.00 C ATOM 523 O HIS A 38 58.944 -3.259 -1.476 1.00 1.00 O ATOM 524 CB HIS A 38 60.398 -5.853 -0.754 1.00 1.00 C ATOM 525 CG HIS A 38 61.503 -6.754 -0.272 1.00 1.00 C ATOM 526 ND1 HIS A 38 61.516 -7.289 1.008 1.00 1.00 N ATOM 527 CD2 HIS A 38 62.643 -7.214 -0.882 1.00 1.00 C ATOM 528 CE1 HIS A 38 62.631 -8.032 1.125 1.00 1.00 C ATOM 529 NE2 HIS A 38 63.354 -8.020 0.002 1.00 1.00 N ATOM 0 H HIS A 38 60.317 -3.283 0.526 1.00 1.00 H new ATOM 0 HA HIS A 38 61.918 -4.600 -1.594 1.00 1.00 H new ATOM 0 HB2 HIS A 38 59.623 -5.771 0.008 1.00 1.00 H new ATOM 0 HB3 HIS A 38 59.929 -6.278 -1.641 1.00 1.00 H new ATOM 0 HD2 HIS A 38 62.943 -6.985 -1.894 1.00 1.00 H new ATOM 0 HE1 HIS A 38 62.908 -8.572 2.018 1.00 1.00 H new ATOM 0 HE2 HIS A 38 64.238 -8.499 -0.171 1.00 1.00 H new ATOM 537 N THR A 39 60.345 -3.501 -3.217 1.00 1.00 N ATOM 538 CA THR A 39 59.474 -2.759 -4.129 1.00 1.00 C ATOM 539 C THR A 39 58.514 -3.737 -4.804 1.00 1.00 C ATOM 540 O THR A 39 58.877 -4.887 -5.053 1.00 1.00 O ATOM 541 CB THR A 39 60.303 -2.005 -5.196 1.00 1.00 C ATOM 542 OG1 THR A 39 60.172 -2.654 -6.451 1.00 1.00 O ATOM 543 CG2 THR A 39 61.778 -1.982 -4.795 1.00 1.00 C ATOM 0 H THR A 39 61.210 -3.845 -3.635 1.00 1.00 H new ATOM 0 HA THR A 39 58.911 -2.020 -3.560 1.00 1.00 H new ATOM 0 HB THR A 39 59.933 -0.983 -5.270 1.00 1.00 H new ATOM 0 HG1 THR A 39 59.710 -2.061 -7.079 1.00 1.00 H new ATOM 0 HG21 THR A 39 62.353 -1.449 -5.553 1.00 1.00 H new ATOM 0 HG22 THR A 39 61.886 -1.477 -3.835 1.00 1.00 H new ATOM 0 HG23 THR A 39 62.148 -3.004 -4.711 1.00 1.00 H new ATOM 551 N PRO A 40 57.308 -3.325 -5.095 1.00 1.00 N ATOM 552 CA PRO A 40 56.311 -4.222 -5.737 1.00 1.00 C ATOM 553 C PRO A 40 56.624 -4.489 -7.210 1.00 1.00 C ATOM 554 O PRO A 40 56.534 -5.623 -7.676 1.00 1.00 O ATOM 555 CB PRO A 40 54.990 -3.442 -5.592 1.00 1.00 C ATOM 556 CG PRO A 40 55.407 -2.008 -5.584 1.00 1.00 C ATOM 557 CD PRO A 40 56.752 -1.976 -4.856 1.00 1.00 C ATOM 0 HA PRO A 40 56.292 -5.209 -5.275 1.00 1.00 H new ATOM 0 HB2 PRO A 40 54.310 -3.654 -6.417 1.00 1.00 H new ATOM 0 HB3 PRO A 40 54.469 -3.710 -4.673 1.00 1.00 H new ATOM 0 HG2 PRO A 40 55.501 -1.621 -6.599 1.00 1.00 H new ATOM 0 HG3 PRO A 40 54.670 -1.388 -5.074 1.00 1.00 H new ATOM 0 HD2 PRO A 40 57.404 -1.198 -5.252 1.00 1.00 H new ATOM 0 HD3 PRO A 40 56.627 -1.776 -3.792 1.00 1.00 H new ATOM 565 N ALA A 41 56.987 -3.433 -7.936 1.00 1.00 N ATOM 566 CA ALA A 41 57.310 -3.525 -9.360 1.00 1.00 C ATOM 567 C ALA A 41 58.681 -2.929 -9.624 1.00 1.00 C ATOM 568 O ALA A 41 58.944 -1.798 -9.221 1.00 1.00 O ATOM 569 CB ALA A 41 56.260 -2.771 -10.179 1.00 1.00 C ATOM 0 H ALA A 41 57.066 -2.490 -7.555 1.00 1.00 H new ATOM 0 HA ALA A 41 57.314 -4.575 -9.653 1.00 1.00 H new ATOM 0 HB1 ALA A 41 56.505 -2.842 -11.239 1.00 1.00 H new ATOM 0 HB2 ALA A 41 55.278 -3.210 -10.003 1.00 1.00 H new ATOM 0 HB3 ALA A 41 56.248 -1.723 -9.879 1.00 1.00 H new ATOM 575 N ARG A 42 59.542 -3.634 -10.321 1.00 1.00 N ATOM 576 CA ARG A 42 60.854 -3.107 -10.647 1.00 1.00 C ATOM 577 C ARG A 42 61.451 -4.067 -11.662 1.00 1.00 C ATOM 578 O ARG A 42 60.998 -5.210 -11.728 1.00 1.00 O ATOM 579 CB ARG A 42 61.738 -2.978 -9.390 1.00 1.00 C ATOM 580 CG ARG A 42 61.448 -4.108 -8.376 1.00 1.00 C ATOM 581 CD ARG A 42 61.941 -5.462 -8.900 1.00 1.00 C ATOM 582 NE ARG A 42 62.358 -6.298 -7.780 1.00 1.00 N ATOM 583 CZ ARG A 42 61.470 -6.884 -6.984 1.00 1.00 C ATOM 584 NH1 ARG A 42 60.194 -6.738 -7.210 1.00 1.00 N ATOM 585 NH2 ARG A 42 61.874 -7.609 -5.976 1.00 1.00 N ATOM 0 H ARG A 42 59.361 -4.574 -10.675 1.00 1.00 H new ATOM 0 HA ARG A 42 60.786 -2.100 -11.058 1.00 1.00 H new ATOM 0 HB2 ARG A 42 62.789 -3.007 -9.678 1.00 1.00 H new ATOM 0 HB3 ARG A 42 61.563 -2.011 -8.919 1.00 1.00 H new ATOM 0 HG2 ARG A 42 61.935 -3.883 -7.427 1.00 1.00 H new ATOM 0 HG3 ARG A 42 60.377 -4.159 -8.180 1.00 1.00 H new ATOM 0 HD2 ARG A 42 61.148 -5.957 -9.461 1.00 1.00 H new ATOM 0 HD3 ARG A 42 62.774 -5.316 -9.588 1.00 1.00 H new ATOM 0 HE ARG A 42 63.353 -6.436 -7.604 1.00 1.00 H new ATOM 0 HH11 ARG A 42 59.877 -6.174 -7.998 1.00 1.00 H new ATOM 0 HH12 ARG A 42 59.513 -7.188 -6.598 1.00 1.00 H new ATOM 0 HH21 ARG A 42 62.872 -7.726 -5.799 1.00 1.00 H new ATOM 0 HH22 ARG A 42 61.192 -8.059 -5.365 1.00 1.00 H new ATOM 599 N ARG A 43 62.417 -3.650 -12.483 1.00 1.00 N ATOM 600 CA ARG A 43 62.976 -4.544 -13.488 1.00 1.00 C ATOM 601 C ARG A 43 63.711 -5.728 -12.860 1.00 1.00 C ATOM 602 O ARG A 43 64.704 -6.214 -13.396 1.00 1.00 O ATOM 603 CB ARG A 43 63.933 -3.720 -14.361 1.00 1.00 C ATOM 604 CG ARG A 43 64.538 -4.586 -15.487 1.00 1.00 C ATOM 605 CD ARG A 43 64.687 -3.745 -16.761 1.00 1.00 C ATOM 606 NE ARG A 43 65.296 -4.531 -17.822 1.00 1.00 N ATOM 607 CZ ARG A 43 64.625 -5.510 -18.415 1.00 1.00 C ATOM 608 NH1 ARG A 43 63.423 -5.816 -18.008 1.00 1.00 N ATOM 609 NH2 ARG A 43 65.172 -6.176 -19.393 1.00 1.00 N ATOM 0 H ARG A 43 62.821 -2.713 -12.470 1.00 1.00 H new ATOM 0 HA ARG A 43 62.168 -4.966 -14.085 1.00 1.00 H new ATOM 0 HB2 ARG A 43 63.399 -2.875 -14.795 1.00 1.00 H new ATOM 0 HB3 ARG A 43 64.732 -3.310 -13.744 1.00 1.00 H new ATOM 0 HG2 ARG A 43 65.509 -4.973 -15.179 1.00 1.00 H new ATOM 0 HG3 ARG A 43 63.898 -5.447 -15.681 1.00 1.00 H new ATOM 0 HD2 ARG A 43 63.710 -3.385 -17.082 1.00 1.00 H new ATOM 0 HD3 ARG A 43 65.298 -2.867 -16.554 1.00 1.00 H new ATOM 0 HE ARG A 43 66.252 -4.327 -18.114 1.00 1.00 H new ATOM 0 HH11 ARG A 43 63.000 -5.303 -17.235 1.00 1.00 H new ATOM 0 HH12 ARG A 43 62.907 -6.568 -18.463 1.00 1.00 H new ATOM 0 HH21 ARG A 43 66.116 -5.945 -19.702 1.00 1.00 H new ATOM 0 HH22 ARG A 43 64.656 -6.929 -19.849 1.00 1.00 H new ATOM 623 N GLY A 44 63.208 -6.180 -11.722 1.00 1.00 N ATOM 624 CA GLY A 44 63.800 -7.299 -11.011 1.00 1.00 C ATOM 625 C GLY A 44 64.824 -6.804 -10.000 1.00 1.00 C ATOM 626 O GLY A 44 65.103 -7.487 -9.016 1.00 1.00 O ATOM 0 H GLY A 44 62.384 -5.784 -11.269 1.00 1.00 H new ATOM 0 HA2 GLY A 44 63.022 -7.867 -10.501 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.277 -7.977 -11.719 1.00 1.00 H new ATOM 630 N PHE A 45 65.378 -5.610 -10.246 1.00 1.00 N ATOM 631 CA PHE A 45 66.376 -5.039 -9.339 1.00 1.00 C ATOM 632 C PHE A 45 66.821 -3.637 -9.795 1.00 1.00 C ATOM 633 O PHE A 45 66.386 -3.144 -10.836 1.00 1.00 O ATOM 634 CB PHE A 45 67.596 -5.953 -9.302 1.00 1.00 C ATOM 635 CG PHE A 45 68.107 -6.099 -10.708 1.00 1.00 C ATOM 636 CD1 PHE A 45 69.034 -5.182 -11.205 1.00 1.00 C ATOM 637 CD2 PHE A 45 67.635 -7.135 -11.524 1.00 1.00 C ATOM 638 CE1 PHE A 45 69.497 -5.298 -12.519 1.00 1.00 C ATOM 639 CE2 PHE A 45 68.094 -7.250 -12.839 1.00 1.00 C ATOM 640 CZ PHE A 45 69.026 -6.330 -13.337 1.00 1.00 C ATOM 0 H PHE A 45 65.155 -5.029 -11.054 1.00 1.00 H new ATOM 0 HA PHE A 45 65.924 -4.952 -8.351 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.368 -5.533 -8.657 1.00 1.00 H new ATOM 0 HB3 PHE A 45 67.331 -6.926 -8.889 1.00 1.00 H new ATOM 0 HD1 PHE A 45 69.394 -4.382 -10.574 1.00 1.00 H new ATOM 0 HD2 PHE A 45 66.918 -7.844 -11.138 1.00 1.00 H new ATOM 0 HE1 PHE A 45 70.218 -4.591 -12.902 1.00 1.00 H new ATOM 0 HE2 PHE A 45 67.731 -8.047 -13.471 1.00 1.00 H new ATOM 0 HZ PHE A 45 69.381 -6.418 -14.353 1.00 1.00 H new ATOM 650 N PHE A 46 67.758 -3.057 -9.018 1.00 1.00 N ATOM 651 CA PHE A 46 68.355 -1.733 -9.336 1.00 1.00 C ATOM 652 C PHE A 46 69.111 -1.111 -8.151 1.00 1.00 C ATOM 653 O PHE A 46 69.390 0.084 -8.168 1.00 1.00 O ATOM 654 CB PHE A 46 67.271 -0.711 -9.807 1.00 1.00 C ATOM 655 CG PHE A 46 67.607 -0.160 -11.180 1.00 1.00 C ATOM 656 CD1 PHE A 46 68.695 0.709 -11.329 1.00 1.00 C ATOM 657 CD2 PHE A 46 66.835 -0.511 -12.296 1.00 1.00 C ATOM 658 CE1 PHE A 46 69.011 1.228 -12.590 1.00 1.00 C ATOM 659 CE2 PHE A 46 67.151 0.010 -13.557 1.00 1.00 C ATOM 660 CZ PHE A 46 68.240 0.879 -13.704 1.00 1.00 C ATOM 0 H PHE A 46 68.121 -3.481 -8.164 1.00 1.00 H new ATOM 0 HA PHE A 46 69.065 -1.931 -10.139 1.00 1.00 H new ATOM 0 HB2 PHE A 46 66.295 -1.196 -9.834 1.00 1.00 H new ATOM 0 HB3 PHE A 46 67.200 0.107 -9.090 1.00 1.00 H new ATOM 0 HD1 PHE A 46 69.291 0.979 -10.470 1.00 1.00 H new ATOM 0 HD2 PHE A 46 65.997 -1.183 -12.184 1.00 1.00 H new ATOM 0 HE1 PHE A 46 69.850 1.898 -12.703 1.00 1.00 H new ATOM 0 HE2 PHE A 46 66.555 -0.258 -14.417 1.00 1.00 H new ATOM 0 HZ PHE A 46 68.484 1.279 -14.677 1.00 1.00 H new ATOM 670 N ARG A 47 69.422 -1.890 -7.138 1.00 1.00 N ATOM 671 CA ARG A 47 70.125 -1.352 -5.969 1.00 1.00 C ATOM 672 C ARG A 47 70.423 -2.494 -5.016 1.00 1.00 C ATOM 673 O ARG A 47 70.101 -3.632 -5.339 1.00 1.00 O ATOM 674 CB ARG A 47 69.230 -0.279 -5.290 1.00 1.00 C ATOM 675 CG ARG A 47 69.821 1.140 -5.446 1.00 1.00 C ATOM 676 CD ARG A 47 68.700 2.182 -5.305 1.00 1.00 C ATOM 677 NE ARG A 47 67.854 1.863 -4.147 1.00 1.00 N ATOM 678 CZ ARG A 47 66.542 1.612 -4.251 1.00 1.00 C ATOM 679 NH1 ARG A 47 65.921 1.711 -5.398 1.00 1.00 N ATOM 680 NH2 ARG A 47 65.869 1.283 -3.182 1.00 1.00 N ATOM 0 H ARG A 47 69.208 -2.886 -7.089 1.00 1.00 H new ATOM 0 HA ARG A 47 71.064 -0.883 -6.262 1.00 1.00 H new ATOM 0 HB2 ARG A 47 68.232 -0.308 -5.727 1.00 1.00 H new ATOM 0 HB3 ARG A 47 69.121 -0.513 -4.231 1.00 1.00 H new ATOM 0 HG2 ARG A 47 70.588 1.311 -4.690 1.00 1.00 H new ATOM 0 HG3 ARG A 47 70.304 1.239 -6.418 1.00 1.00 H new ATOM 0 HD2 ARG A 47 69.131 3.176 -5.187 1.00 1.00 H new ATOM 0 HD3 ARG A 47 68.096 2.202 -6.212 1.00 1.00 H new ATOM 0 HE ARG A 47 68.285 1.831 -3.223 1.00 1.00 H new ATOM 0 HH11 ARG A 47 66.436 1.984 -6.235 1.00 1.00 H new ATOM 0 HH12 ARG A 47 64.922 1.515 -5.455 1.00 1.00 H new ATOM 0 HH21 ARG A 47 66.342 1.219 -2.281 1.00 1.00 H new ATOM 0 HH22 ARG A 47 64.870 1.089 -3.248 1.00 1.00 H new ATOM 694 N CYS A 48 71.051 -2.214 -3.865 1.00 1.00 N ATOM 695 CA CYS A 48 71.379 -3.267 -2.914 1.00 1.00 C ATOM 696 C CYS A 48 72.329 -4.278 -3.557 1.00 1.00 C ATOM 697 O CYS A 48 72.013 -5.452 -3.708 1.00 1.00 O ATOM 698 CB CYS A 48 70.074 -3.921 -2.377 1.00 1.00 C ATOM 699 SG CYS A 48 69.518 -5.264 -3.457 1.00 1.00 S ATOM 0 H CYS A 48 71.336 -1.277 -3.579 1.00 1.00 H new ATOM 0 HA CYS A 48 71.901 -2.844 -2.056 1.00 1.00 H new ATOM 0 HB2 CYS A 48 70.245 -4.307 -1.372 1.00 1.00 H new ATOM 0 HB3 CYS A 48 69.292 -3.166 -2.300 1.00 1.00 H new ATOM 704 N ASN A 49 73.535 -3.827 -3.922 1.00 1.00 N ATOM 705 CA ASN A 49 74.529 -4.705 -4.534 1.00 1.00 C ATOM 706 C ASN A 49 75.898 -4.404 -3.908 1.00 1.00 C ATOM 707 O ASN A 49 76.192 -3.247 -3.600 1.00 1.00 O ATOM 708 CB ASN A 49 74.577 -4.440 -6.054 1.00 1.00 C ATOM 709 CG ASN A 49 74.190 -2.990 -6.339 1.00 1.00 C ATOM 710 OD1 ASN A 49 73.197 -2.734 -7.022 1.00 1.00 O ATOM 711 ND2 ASN A 49 74.913 -2.019 -5.850 1.00 1.00 N ATOM 0 H ASN A 49 73.842 -2.862 -3.803 1.00 1.00 H new ATOM 0 HA ASN A 49 74.268 -5.749 -4.364 1.00 1.00 H new ATOM 0 HB2 ASN A 49 75.578 -4.641 -6.436 1.00 1.00 H new ATOM 0 HB3 ASN A 49 73.897 -5.116 -6.572 1.00 1.00 H new ATOM 0 HD21 ASN A 49 74.656 -1.049 -6.033 1.00 1.00 H new ATOM 0 HD22 ASN A 49 75.735 -2.230 -5.284 1.00 1.00 H new ATOM 718 N PRO A 50 76.733 -5.396 -3.702 1.00 1.00 N ATOM 719 CA PRO A 50 78.082 -5.190 -3.086 1.00 1.00 C ATOM 720 C PRO A 50 79.064 -4.512 -4.044 1.00 1.00 C ATOM 721 O PRO A 50 80.095 -5.083 -4.400 1.00 1.00 O ATOM 722 CB PRO A 50 78.526 -6.616 -2.752 1.00 1.00 C ATOM 723 CG PRO A 50 77.876 -7.444 -3.805 1.00 1.00 C ATOM 724 CD PRO A 50 76.504 -6.816 -4.022 1.00 1.00 C ATOM 0 HA PRO A 50 78.049 -4.528 -2.220 1.00 1.00 H new ATOM 0 HB2 PRO A 50 79.611 -6.714 -2.779 1.00 1.00 H new ATOM 0 HB3 PRO A 50 78.204 -6.912 -1.754 1.00 1.00 H new ATOM 0 HG2 PRO A 50 78.460 -7.440 -4.725 1.00 1.00 H new ATOM 0 HG3 PRO A 50 77.787 -8.483 -3.489 1.00 1.00 H new ATOM 0 HD2 PRO A 50 76.158 -6.948 -5.047 1.00 1.00 H new ATOM 0 HD3 PRO A 50 75.750 -7.259 -3.372 1.00 1.00 H new ATOM 732 N GLU A 51 78.732 -3.293 -4.450 1.00 1.00 N ATOM 733 CA GLU A 51 79.580 -2.527 -5.357 1.00 1.00 C ATOM 734 C GLU A 51 79.795 -3.254 -6.685 1.00 1.00 C ATOM 735 O GLU A 51 80.548 -2.782 -7.537 1.00 1.00 O ATOM 736 CB GLU A 51 80.928 -2.217 -4.701 1.00 1.00 C ATOM 737 CG GLU A 51 80.709 -1.251 -3.534 1.00 1.00 C ATOM 738 CD GLU A 51 82.039 -0.923 -2.869 1.00 1.00 C ATOM 739 OE1 GLU A 51 83.049 -1.440 -3.319 1.00 1.00 O ATOM 740 OE2 GLU A 51 82.030 -0.156 -1.920 1.00 1.00 O ATOM 0 H GLU A 51 77.879 -2.812 -4.165 1.00 1.00 H new ATOM 0 HA GLU A 51 79.064 -1.591 -5.570 1.00 1.00 H new ATOM 0 HB2 GLU A 51 81.393 -3.136 -4.345 1.00 1.00 H new ATOM 0 HB3 GLU A 51 81.608 -1.777 -5.430 1.00 1.00 H new ATOM 0 HG2 GLU A 51 80.238 -0.336 -3.893 1.00 1.00 H new ATOM 0 HG3 GLU A 51 80.030 -1.695 -2.807 1.00 1.00 H new ATOM 747 N ARG A 52 79.106 -4.379 -6.883 1.00 1.00 N ATOM 748 CA ARG A 52 79.221 -5.112 -8.146 1.00 1.00 C ATOM 749 C ARG A 52 78.292 -4.481 -9.172 1.00 1.00 C ATOM 750 O ARG A 52 77.184 -4.065 -8.838 1.00 1.00 O ATOM 751 CB ARG A 52 78.879 -6.595 -7.958 1.00 1.00 C ATOM 752 CG ARG A 52 80.059 -7.310 -7.288 1.00 1.00 C ATOM 753 CD ARG A 52 79.737 -8.798 -7.120 1.00 1.00 C ATOM 754 NE ARG A 52 80.926 -9.528 -6.685 1.00 1.00 N ATOM 755 CZ ARG A 52 81.365 -9.466 -5.431 1.00 1.00 C ATOM 756 NH1 ARG A 52 80.778 -8.688 -4.567 1.00 1.00 N ATOM 757 NH2 ARG A 52 82.401 -10.170 -5.072 1.00 1.00 N ATOM 0 H ARG A 52 78.474 -4.797 -6.200 1.00 1.00 H new ATOM 0 HA ARG A 52 80.251 -5.053 -8.497 1.00 1.00 H new ATOM 0 HB2 ARG A 52 77.983 -6.698 -7.346 1.00 1.00 H new ATOM 0 HB3 ARG A 52 78.661 -7.054 -8.922 1.00 1.00 H new ATOM 0 HG2 ARG A 52 80.959 -7.189 -7.891 1.00 1.00 H new ATOM 0 HG3 ARG A 52 80.264 -6.861 -6.316 1.00 1.00 H new ATOM 0 HD2 ARG A 52 78.937 -8.924 -6.390 1.00 1.00 H new ATOM 0 HD3 ARG A 52 79.375 -9.208 -8.063 1.00 1.00 H new ATOM 0 HE ARG A 52 81.432 -10.100 -7.361 1.00 1.00 H new ATOM 0 HH11 ARG A 52 79.978 -8.123 -4.851 1.00 1.00 H new ATOM 0 HH12 ARG A 52 81.118 -8.644 -3.607 1.00 1.00 H new ATOM 0 HH21 ARG A 52 82.873 -10.766 -5.752 1.00 1.00 H new ATOM 0 HH22 ARG A 52 82.740 -10.125 -4.111 1.00 1.00 H new ATOM 771 N ILE A 53 78.758 -4.358 -10.412 1.00 1.00 N ATOM 772 CA ILE A 53 77.970 -3.716 -11.451 1.00 1.00 C ATOM 773 C ILE A 53 76.720 -4.500 -11.846 1.00 1.00 C ATOM 774 O ILE A 53 76.712 -5.726 -11.955 1.00 1.00 O ATOM 775 CB ILE A 53 78.858 -3.459 -12.669 1.00 1.00 C ATOM 776 CG1 ILE A 53 78.028 -2.857 -13.811 1.00 1.00 C ATOM 777 CG2 ILE A 53 79.502 -4.765 -13.123 1.00 1.00 C ATOM 778 CD1 ILE A 53 78.967 -2.373 -14.920 1.00 1.00 C ATOM 0 H ILE A 53 79.672 -4.693 -10.717 1.00 1.00 H new ATOM 0 HA ILE A 53 77.605 -2.773 -11.043 1.00 1.00 H new ATOM 0 HB ILE A 53 79.641 -2.752 -12.395 1.00 1.00 H new ATOM 0 HG12 ILE A 53 77.336 -3.602 -14.204 1.00 1.00 H new ATOM 0 HG13 ILE A 53 77.427 -2.027 -13.440 1.00 1.00 H new ATOM 0 HG21 ILE A 53 80.134 -4.577 -13.991 1.00 1.00 H new ATOM 0 HG22 ILE A 53 80.109 -5.172 -12.314 1.00 1.00 H new ATOM 0 HG23 ILE A 53 78.724 -5.481 -13.389 1.00 1.00 H new ATOM 0 HD11 ILE A 53 78.380 -1.945 -15.733 1.00 1.00 H new ATOM 0 HD12 ILE A 53 79.641 -1.615 -14.521 1.00 1.00 H new ATOM 0 HD13 ILE A 53 79.549 -3.214 -15.297 1.00 1.00 H new ATOM 790 N GLN A 54 75.667 -3.719 -12.009 1.00 1.00 N ATOM 791 CA GLN A 54 74.355 -4.261 -12.356 1.00 1.00 C ATOM 792 C GLN A 54 74.435 -4.915 -13.753 1.00 1.00 C ATOM 793 O GLN A 54 73.982 -4.350 -14.748 1.00 1.00 O ATOM 794 CB GLN A 54 73.311 -3.109 -12.338 1.00 1.00 C ATOM 795 CG GLN A 54 72.369 -3.221 -11.125 1.00 1.00 C ATOM 796 CD GLN A 54 73.159 -3.165 -9.823 1.00 1.00 C ATOM 797 OE1 GLN A 54 73.171 -4.206 -9.035 1.00 1.00 O flip ATOM 798 NE2 GLN A 54 73.780 -2.148 -9.514 1.00 1.00 N flip ATOM 0 H GLN A 54 75.690 -2.704 -11.907 1.00 1.00 H new ATOM 0 HA GLN A 54 74.049 -5.019 -11.635 1.00 1.00 H new ATOM 0 HB2 GLN A 54 73.827 -2.149 -12.312 1.00 1.00 H new ATOM 0 HB3 GLN A 54 72.726 -3.132 -13.258 1.00 1.00 H new ATOM 0 HG2 GLN A 54 71.640 -2.411 -11.149 1.00 1.00 H new ATOM 0 HG3 GLN A 54 71.810 -4.155 -11.177 1.00 1.00 H new ATOM 0 HE21 GLN A 54 73.769 -1.336 -10.132 1.00 1.00 H new ATOM 0 HE22 GLN A 54 74.306 -2.117 -8.640 1.00 1.00 H new ATOM 807 N ILE A 55 74.990 -6.136 -13.800 1.00 1.00 N ATOM 808 CA ILE A 55 75.107 -6.910 -15.047 1.00 1.00 C ATOM 809 C ILE A 55 75.008 -8.411 -14.744 1.00 1.00 C ATOM 810 O ILE A 55 75.302 -8.828 -13.624 1.00 1.00 O ATOM 811 CB ILE A 55 76.446 -6.618 -15.752 1.00 1.00 C ATOM 812 CG1 ILE A 55 76.392 -7.167 -17.186 1.00 1.00 C ATOM 813 CG2 ILE A 55 77.608 -7.284 -14.990 1.00 1.00 C ATOM 814 CD1 ILE A 55 77.622 -6.702 -17.969 1.00 1.00 C ATOM 0 H ILE A 55 75.368 -6.612 -12.981 1.00 1.00 H new ATOM 0 HA ILE A 55 74.292 -6.614 -15.707 1.00 1.00 H new ATOM 0 HB ILE A 55 76.611 -5.541 -15.773 1.00 1.00 H new ATOM 0 HG12 ILE A 55 76.353 -8.256 -17.166 1.00 1.00 H new ATOM 0 HG13 ILE A 55 75.484 -6.824 -17.682 1.00 1.00 H new ATOM 0 HG21 ILE A 55 78.547 -7.069 -15.499 1.00 1.00 H new ATOM 0 HG22 ILE A 55 77.648 -6.892 -13.974 1.00 1.00 H new ATOM 0 HG23 ILE A 55 77.451 -8.362 -14.957 1.00 1.00 H new ATOM 0 HD11 ILE A 55 77.577 -7.095 -18.985 1.00 1.00 H new ATOM 0 HD12 ILE A 55 77.642 -5.613 -18.002 1.00 1.00 H new ATOM 0 HD13 ILE A 55 78.525 -7.067 -17.479 1.00 1.00 H new ATOM 826 N GLY A 56 74.587 -9.227 -15.719 1.00 1.00 N ATOM 827 CA GLY A 56 74.458 -10.676 -15.501 1.00 1.00 C ATOM 828 C GLY A 56 72.991 -11.066 -15.472 1.00 1.00 C ATOM 829 O GLY A 56 72.633 -12.242 -15.374 1.00 1.00 O ATOM 0 H GLY A 56 74.332 -8.915 -16.656 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.972 -11.219 -16.294 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.936 -10.955 -14.562 1.00 1.00 H new ATOM 833 N ASP A 57 72.156 -10.046 -15.571 1.00 1.00 N ATOM 834 CA ASP A 57 70.715 -10.241 -15.572 1.00 1.00 C ATOM 835 C ASP A 57 70.234 -10.583 -16.977 1.00 1.00 C ATOM 836 O ASP A 57 70.112 -9.721 -17.846 1.00 1.00 O ATOM 837 CB ASP A 57 70.037 -8.982 -15.045 1.00 1.00 C ATOM 838 CG ASP A 57 70.365 -8.832 -13.565 1.00 1.00 C ATOM 839 OD1 ASP A 57 69.890 -9.644 -12.789 1.00 1.00 O ATOM 840 OD2 ASP A 57 71.101 -7.918 -13.228 1.00 1.00 O ATOM 0 H ASP A 57 72.451 -9.073 -15.652 1.00 1.00 H new ATOM 0 HA ASP A 57 70.454 -11.075 -14.920 1.00 1.00 H new ATOM 0 HB2 ASP A 57 70.381 -8.108 -15.598 1.00 1.00 H new ATOM 0 HB3 ASP A 57 68.958 -9.046 -15.188 1.00 1.00 H new ATOM 845 N TRP A 58 70.000 -11.881 -17.180 1.00 1.00 N ATOM 846 CA TRP A 58 69.566 -12.390 -18.490 1.00 1.00 C ATOM 847 C TRP A 58 68.046 -12.338 -18.691 1.00 1.00 C ATOM 848 O TRP A 58 67.251 -12.009 -17.808 1.00 1.00 O ATOM 849 CB TRP A 58 70.123 -13.816 -18.832 1.00 1.00 C ATOM 850 CG TRP A 58 71.052 -13.793 -20.035 1.00 1.00 C ATOM 851 CD1 TRP A 58 70.871 -13.063 -21.172 1.00 1.00 C ATOM 852 CD2 TRP A 58 72.286 -14.550 -20.242 1.00 1.00 C ATOM 853 NE1 TRP A 58 71.928 -13.301 -22.032 1.00 1.00 N ATOM 854 CE2 TRP A 58 72.820 -14.210 -21.509 1.00 1.00 C ATOM 855 CE3 TRP A 58 72.991 -15.480 -19.458 1.00 1.00 C ATOM 856 CZ2 TRP A 58 74.008 -14.771 -21.978 1.00 1.00 C ATOM 857 CZ3 TRP A 58 74.186 -16.051 -19.930 1.00 1.00 C ATOM 858 CH2 TRP A 58 74.692 -15.696 -21.188 1.00 1.00 C ATOM 0 H TRP A 58 70.102 -12.598 -16.461 1.00 1.00 H new ATOM 0 HA TRP A 58 70.013 -11.695 -19.201 1.00 1.00 H new ATOM 0 HB2 TRP A 58 70.658 -14.213 -17.969 1.00 1.00 H new ATOM 0 HB3 TRP A 58 69.291 -14.492 -19.030 1.00 1.00 H new ATOM 0 HD1 TRP A 58 70.037 -12.405 -21.369 1.00 1.00 H new ATOM 0 HE1 TRP A 58 72.034 -12.857 -22.944 1.00 1.00 H new ATOM 0 HE3 TRP A 58 72.612 -15.758 -18.486 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 74.396 -14.491 -22.946 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 74.717 -16.767 -19.320 1.00 1.00 H new ATOM 0 HH2 TRP A 58 75.610 -16.138 -21.546 1.00 1.00 H new ATOM 869 N ARG A 59 67.736 -12.676 -19.917 1.00 1.00 N ATOM 870 CA ARG A 59 66.359 -12.704 -20.398 1.00 1.00 C ATOM 871 C ARG A 59 65.616 -13.977 -19.957 1.00 1.00 C ATOM 872 O ARG A 59 64.550 -13.918 -19.347 1.00 1.00 O ATOM 873 CB ARG A 59 66.311 -12.602 -21.930 1.00 1.00 C ATOM 874 CG ARG A 59 66.983 -11.302 -22.394 1.00 1.00 C ATOM 875 CD ARG A 59 66.488 -10.939 -23.798 1.00 1.00 C ATOM 876 NE ARG A 59 66.616 -12.092 -24.695 1.00 1.00 N ATOM 877 CZ ARG A 59 65.624 -12.479 -25.510 1.00 1.00 C ATOM 878 NH1 ARG A 59 64.511 -11.794 -25.583 1.00 1.00 N ATOM 879 NH2 ARG A 59 65.777 -13.543 -26.252 1.00 1.00 N ATOM 0 H ARG A 59 68.426 -12.942 -20.619 1.00 1.00 H new ATOM 0 HA ARG A 59 65.860 -11.842 -19.955 1.00 1.00 H new ATOM 0 HB2 ARG A 59 66.815 -13.460 -22.375 1.00 1.00 H new ATOM 0 HB3 ARG A 59 65.276 -12.628 -22.272 1.00 1.00 H new ATOM 0 HG2 ARG A 59 66.756 -10.495 -21.698 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.066 -11.423 -22.399 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.447 -10.618 -23.753 1.00 1.00 H new ATOM 0 HD3 ARG A 59 67.064 -10.100 -24.189 1.00 1.00 H new ATOM 0 HE ARG A 59 67.490 -12.618 -24.699 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.390 -10.955 -25.016 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.764 -12.099 -26.207 1.00 1.00 H new ATOM 0 HH21 ARG A 59 66.647 -14.074 -26.209 1.00 1.00 H new ATOM 0 HH22 ARG A 59 65.027 -13.843 -26.874 1.00 1.00 H new ATOM 893 N TYR A 60 66.195 -15.107 -20.313 1.00 1.00 N ATOM 894 CA TYR A 60 65.646 -16.450 -20.030 1.00 1.00 C ATOM 895 C TYR A 60 66.132 -17.055 -18.703 1.00 1.00 C ATOM 896 O TYR A 60 65.621 -18.094 -18.235 1.00 1.00 O ATOM 897 CB TYR A 60 65.939 -17.394 -21.226 1.00 1.00 C ATOM 898 CG TYR A 60 67.131 -18.283 -20.954 1.00 1.00 C ATOM 899 CD1 TYR A 60 68.428 -17.821 -21.199 1.00 1.00 C ATOM 900 CD2 TYR A 60 66.926 -19.576 -20.458 1.00 1.00 C ATOM 901 CE1 TYR A 60 69.522 -18.656 -20.948 1.00 1.00 C ATOM 902 CE2 TYR A 60 68.019 -20.409 -20.206 1.00 1.00 C ATOM 903 CZ TYR A 60 69.318 -19.950 -20.451 1.00 1.00 C ATOM 904 OH TYR A 60 70.396 -20.772 -20.205 1.00 1.00 O ATOM 0 H TYR A 60 67.080 -15.135 -20.819 1.00 1.00 H new ATOM 0 HA TYR A 60 64.569 -16.335 -19.908 1.00 1.00 H new ATOM 0 HB2 TYR A 60 65.063 -18.011 -21.427 1.00 1.00 H new ATOM 0 HB3 TYR A 60 66.124 -16.801 -22.122 1.00 1.00 H new ATOM 0 HD1 TYR A 60 68.585 -16.823 -21.581 1.00 1.00 H new ATOM 0 HD2 TYR A 60 65.923 -19.930 -20.270 1.00 1.00 H new ATOM 0 HE1 TYR A 60 70.525 -18.303 -21.138 1.00 1.00 H new ATOM 0 HE2 TYR A 60 67.861 -21.406 -19.822 1.00 1.00 H new ATOM 0 HH TYR A 60 70.079 -21.634 -19.862 1.00 1.00 H new ATOM 914 N GLU A 61 67.135 -16.441 -18.108 1.00 1.00 N ATOM 915 CA GLU A 61 67.710 -16.951 -16.878 1.00 1.00 C ATOM 916 C GLU A 61 66.860 -16.668 -15.657 1.00 1.00 C ATOM 917 O GLU A 61 67.133 -17.210 -14.593 1.00 1.00 O ATOM 918 CB GLU A 61 69.125 -16.353 -16.683 1.00 1.00 C ATOM 919 CG GLU A 61 69.092 -14.959 -15.991 1.00 1.00 C ATOM 920 CD GLU A 61 70.493 -14.571 -15.522 1.00 1.00 C ATOM 921 OE1 GLU A 61 71.442 -15.178 -15.990 1.00 1.00 O ATOM 922 OE2 GLU A 61 70.596 -13.672 -14.702 1.00 1.00 O ATOM 0 H GLU A 61 67.570 -15.587 -18.456 1.00 1.00 H new ATOM 0 HA GLU A 61 67.762 -18.035 -16.977 1.00 1.00 H new ATOM 0 HB2 GLU A 61 69.726 -17.038 -16.085 1.00 1.00 H new ATOM 0 HB3 GLU A 61 69.615 -16.262 -17.653 1.00 1.00 H new ATOM 0 HG2 GLU A 61 68.712 -14.209 -16.685 1.00 1.00 H new ATOM 0 HG3 GLU A 61 68.409 -14.982 -15.142 1.00 1.00 H new ATOM 929 N VAL A 62 65.880 -15.785 -15.757 1.00 1.00 N ATOM 930 CA VAL A 62 65.116 -15.440 -14.559 1.00 1.00 C ATOM 931 C VAL A 62 64.672 -16.713 -13.867 1.00 1.00 C ATOM 932 O VAL A 62 64.963 -16.919 -12.714 1.00 1.00 O ATOM 933 CB VAL A 62 63.909 -14.547 -14.934 1.00 1.00 C ATOM 934 CG1 VAL A 62 64.327 -13.071 -14.917 1.00 1.00 C ATOM 935 CG2 VAL A 62 63.424 -14.891 -16.348 1.00 1.00 C ATOM 0 H VAL A 62 65.599 -15.309 -16.614 1.00 1.00 H new ATOM 0 HA VAL A 62 65.742 -14.872 -13.871 1.00 1.00 H new ATOM 0 HB VAL A 62 63.112 -14.721 -14.211 1.00 1.00 H new ATOM 0 HG11 VAL A 62 63.473 -12.448 -15.182 1.00 1.00 H new ATOM 0 HG12 VAL A 62 64.676 -12.803 -13.920 1.00 1.00 H new ATOM 0 HG13 VAL A 62 65.129 -12.912 -15.637 1.00 1.00 H new ATOM 0 HG21 VAL A 62 62.574 -14.259 -16.605 1.00 1.00 H new ATOM 0 HG22 VAL A 62 64.231 -14.722 -17.061 1.00 1.00 H new ATOM 0 HG23 VAL A 62 63.121 -15.938 -16.384 1.00 1.00 H new ATOM 945 N ALA A 63 63.935 -17.535 -14.558 1.00 1.00 N ATOM 946 CA ALA A 63 63.435 -18.775 -13.989 1.00 1.00 C ATOM 947 C ALA A 63 64.577 -19.739 -13.699 1.00 1.00 C ATOM 948 O ALA A 63 64.804 -20.127 -12.544 1.00 1.00 O ATOM 949 CB ALA A 63 62.459 -19.436 -14.973 1.00 1.00 C ATOM 0 H ALA A 63 63.659 -17.375 -15.527 1.00 1.00 H new ATOM 0 HA ALA A 63 62.926 -18.541 -13.054 1.00 1.00 H new ATOM 0 HB1 ALA A 63 62.085 -20.366 -14.545 1.00 1.00 H new ATOM 0 HB2 ALA A 63 61.624 -18.763 -15.164 1.00 1.00 H new ATOM 0 HB3 ALA A 63 62.975 -19.649 -15.909 1.00 1.00 H new ATOM 955 N HIS A 64 65.299 -20.135 -14.750 1.00 1.00 N ATOM 956 CA HIS A 64 66.397 -21.079 -14.552 1.00 1.00 C ATOM 957 C HIS A 64 67.265 -20.595 -13.382 1.00 1.00 C ATOM 958 O HIS A 64 67.471 -21.307 -12.401 1.00 1.00 O ATOM 959 CB HIS A 64 67.221 -21.188 -15.852 1.00 1.00 C ATOM 960 CG HIS A 64 67.846 -22.556 -15.972 1.00 1.00 C ATOM 961 ND1 HIS A 64 69.219 -22.747 -15.968 1.00 1.00 N ATOM 962 CD2 HIS A 64 67.294 -23.807 -16.109 1.00 1.00 C ATOM 963 CE1 HIS A 64 69.445 -24.068 -16.102 1.00 1.00 C ATOM 964 NE2 HIS A 64 68.305 -24.759 -16.192 1.00 1.00 N ATOM 0 H HIS A 64 65.151 -19.830 -15.712 1.00 1.00 H new ATOM 0 HA HIS A 64 66.010 -22.069 -14.312 1.00 1.00 H new ATOM 0 HB2 HIS A 64 66.579 -20.999 -16.713 1.00 1.00 H new ATOM 0 HB3 HIS A 64 67.999 -20.425 -15.861 1.00 1.00 H new ATOM 0 HD2 HIS A 64 66.236 -24.019 -16.147 1.00 1.00 H new ATOM 0 HE1 HIS A 64 70.428 -24.514 -16.133 1.00 1.00 H new ATOM 0 HE2 HIS A 64 68.199 -25.768 -16.299 1.00 1.00 H new ATOM 972 N ASP A 65 67.755 -19.370 -13.515 1.00 1.00 N ATOM 973 CA ASP A 65 68.598 -18.774 -12.472 1.00 1.00 C ATOM 974 C ASP A 65 67.782 -18.453 -11.217 1.00 1.00 C ATOM 975 O ASP A 65 68.189 -18.752 -10.121 1.00 1.00 O ATOM 976 CB ASP A 65 69.287 -17.497 -12.962 1.00 1.00 C ATOM 977 CG ASP A 65 70.472 -17.168 -12.061 1.00 1.00 C ATOM 978 OD1 ASP A 65 71.369 -17.990 -11.978 1.00 1.00 O ATOM 979 OD2 ASP A 65 70.468 -16.100 -11.471 1.00 1.00 O ATOM 0 H ASP A 65 67.589 -18.770 -14.323 1.00 1.00 H new ATOM 0 HA ASP A 65 69.361 -19.513 -12.227 1.00 1.00 H new ATOM 0 HB2 ASP A 65 69.626 -17.628 -13.990 1.00 1.00 H new ATOM 0 HB3 ASP A 65 68.579 -16.669 -12.963 1.00 1.00 H new ATOM 984 N GLY A 66 66.623 -17.858 -11.382 1.00 1.00 N ATOM 985 CA GLY A 66 65.772 -17.519 -10.231 1.00 1.00 C ATOM 986 C GLY A 66 65.044 -18.751 -9.708 1.00 1.00 C ATOM 987 O GLY A 66 64.041 -18.639 -9.007 1.00 1.00 O ATOM 0 H GLY A 66 66.237 -17.594 -12.289 1.00 1.00 H new ATOM 0 HA2 GLY A 66 66.383 -17.089 -9.437 1.00 1.00 H new ATOM 0 HA3 GLY A 66 65.046 -16.760 -10.522 1.00 1.00 H new ATOM 991 N ARG A 67 65.642 -19.916 -9.939 1.00 1.00 N ATOM 992 CA ARG A 67 65.154 -21.176 -9.371 1.00 1.00 C ATOM 993 C ARG A 67 65.947 -21.455 -8.086 1.00 1.00 C ATOM 994 O ARG A 67 65.644 -22.361 -7.312 1.00 1.00 O ATOM 995 CB ARG A 67 65.306 -22.337 -10.371 1.00 1.00 C ATOM 996 CG ARG A 67 64.743 -23.622 -9.743 1.00 1.00 C ATOM 997 CD ARG A 67 64.745 -24.767 -10.760 1.00 1.00 C ATOM 998 NE ARG A 67 64.254 -25.991 -10.125 1.00 1.00 N ATOM 999 CZ ARG A 67 64.657 -27.198 -10.520 1.00 1.00 C ATOM 1000 NH1 ARG A 67 65.498 -27.321 -11.512 1.00 1.00 N ATOM 1001 NH2 ARG A 67 64.205 -28.264 -9.913 1.00 1.00 N ATOM 0 H ARG A 67 66.474 -20.017 -10.521 1.00 1.00 H new ATOM 0 HA ARG A 67 64.091 -21.091 -9.147 1.00 1.00 H new ATOM 0 HB2 ARG A 67 64.777 -22.108 -11.296 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.356 -22.474 -10.630 1.00 1.00 H new ATOM 0 HG2 ARG A 67 65.340 -23.900 -8.874 1.00 1.00 H new ATOM 0 HG3 ARG A 67 63.727 -23.445 -9.389 1.00 1.00 H new ATOM 0 HD2 ARG A 67 64.116 -24.510 -11.612 1.00 1.00 H new ATOM 0 HD3 ARG A 67 65.753 -24.924 -11.144 1.00 1.00 H new ATOM 0 HE ARG A 67 63.585 -25.918 -9.359 1.00 1.00 H new ATOM 0 HH11 ARG A 67 65.850 -26.490 -11.988 1.00 1.00 H new ATOM 0 HH12 ARG A 67 65.803 -28.248 -11.810 1.00 1.00 H new ATOM 0 HH21 ARG A 67 63.546 -28.170 -9.140 1.00 1.00 H new ATOM 0 HH22 ARG A 67 64.511 -29.190 -10.212 1.00 1.00 H new ATOM 1015 N LEU A 68 66.992 -20.650 -7.901 1.00 1.00 N ATOM 1016 CA LEU A 68 67.904 -20.771 -6.764 1.00 1.00 C ATOM 1017 C LEU A 68 67.264 -20.373 -5.446 1.00 1.00 C ATOM 1018 O LEU A 68 67.563 -20.954 -4.443 1.00 1.00 O ATOM 1019 CB LEU A 68 69.129 -19.864 -6.919 1.00 1.00 C ATOM 1020 CG LEU A 68 70.048 -20.203 -8.148 1.00 1.00 C ATOM 1021 CD1 LEU A 68 69.415 -21.198 -9.145 1.00 1.00 C ATOM 1022 CD2 LEU A 68 70.459 -18.900 -8.876 1.00 1.00 C ATOM 0 H LEU A 68 67.231 -19.891 -8.539 1.00 1.00 H new ATOM 0 HA LEU A 68 68.180 -21.825 -6.752 1.00 1.00 H new ATOM 0 HB2 LEU A 68 68.790 -18.832 -7.010 1.00 1.00 H new ATOM 0 HB3 LEU A 68 69.726 -19.924 -6.009 1.00 1.00 H new ATOM 0 HG LEU A 68 70.929 -20.702 -7.745 1.00 1.00 H new ATOM 0 HD11 LEU A 68 70.109 -21.382 -9.965 1.00 1.00 H new ATOM 0 HD12 LEU A 68 69.199 -22.137 -8.635 1.00 1.00 H new ATOM 0 HD13 LEU A 68 68.490 -20.778 -9.540 1.00 1.00 H new ATOM 0 HD21 LEU A 68 71.096 -19.144 -9.726 1.00 1.00 H new ATOM 0 HD22 LEU A 68 69.566 -18.383 -9.228 1.00 1.00 H new ATOM 0 HD23 LEU A 68 71.005 -18.255 -8.187 1.00 1.00 H new ATOM 1034 N LEU A 69 66.425 -19.347 -5.446 1.00 1.00 N ATOM 1035 CA LEU A 69 65.867 -18.900 -4.156 1.00 1.00 C ATOM 1036 C LEU A 69 65.423 -20.131 -3.354 1.00 1.00 C ATOM 1037 O LEU A 69 65.916 -20.389 -2.259 1.00 1.00 O ATOM 1038 CB LEU A 69 64.693 -17.931 -4.357 1.00 1.00 C ATOM 1039 CG LEU A 69 64.272 -17.323 -2.990 1.00 1.00 C ATOM 1040 CD1 LEU A 69 63.866 -15.860 -3.166 1.00 1.00 C ATOM 1041 CD2 LEU A 69 63.082 -18.096 -2.388 1.00 1.00 C ATOM 0 H LEU A 69 66.122 -18.826 -6.269 1.00 1.00 H new ATOM 0 HA LEU A 69 66.637 -18.360 -3.605 1.00 1.00 H new ATOM 0 HB2 LEU A 69 64.979 -17.136 -5.046 1.00 1.00 H new ATOM 0 HB3 LEU A 69 63.850 -18.455 -4.807 1.00 1.00 H new ATOM 0 HG LEU A 69 65.126 -17.395 -2.317 1.00 1.00 H new ATOM 0 HD11 LEU A 69 63.573 -15.445 -2.202 1.00 1.00 H new ATOM 0 HD12 LEU A 69 64.708 -15.294 -3.564 1.00 1.00 H new ATOM 0 HD13 LEU A 69 63.027 -15.796 -3.858 1.00 1.00 H new ATOM 0 HD21 LEU A 69 62.806 -17.652 -1.432 1.00 1.00 H new ATOM 0 HD22 LEU A 69 62.233 -18.046 -3.070 1.00 1.00 H new ATOM 0 HD23 LEU A 69 63.364 -19.138 -2.236 1.00 1.00 H new ATOM 1053 N ALA A 70 64.528 -20.891 -3.950 1.00 1.00 N ATOM 1054 CA ALA A 70 64.075 -22.121 -3.279 1.00 1.00 C ATOM 1055 C ALA A 70 65.371 -22.871 -2.906 1.00 1.00 C ATOM 1056 O ALA A 70 65.777 -22.930 -1.753 1.00 1.00 O ATOM 1057 CB ALA A 70 63.223 -22.992 -4.205 1.00 1.00 C ATOM 0 H ALA A 70 64.106 -20.703 -4.859 1.00 1.00 H new ATOM 0 HA ALA A 70 63.452 -21.889 -2.415 1.00 1.00 H new ATOM 0 HB1 ALA A 70 62.909 -23.890 -3.673 1.00 1.00 H new ATOM 0 HB2 ALA A 70 62.344 -22.432 -4.524 1.00 1.00 H new ATOM 0 HB3 ALA A 70 63.809 -23.275 -5.079 1.00 1.00 H new ATOM 1063 N ALA A 71 65.991 -23.402 -3.938 1.00 1.00 N ATOM 1064 CA ALA A 71 67.260 -24.151 -3.948 1.00 1.00 C ATOM 1065 C ALA A 71 68.483 -23.323 -3.538 1.00 1.00 C ATOM 1066 O ALA A 71 69.583 -23.672 -3.932 1.00 1.00 O ATOM 1067 CB ALA A 71 67.485 -24.757 -5.333 1.00 1.00 C ATOM 0 H ALA A 71 65.600 -23.322 -4.877 1.00 1.00 H new ATOM 0 HA ALA A 71 67.160 -24.930 -3.193 1.00 1.00 H new ATOM 0 HB1 ALA A 71 68.424 -25.311 -5.340 1.00 1.00 H new ATOM 0 HB2 ALA A 71 66.664 -25.432 -5.572 1.00 1.00 H new ATOM 0 HB3 ALA A 71 67.528 -23.961 -6.076 1.00 1.00 H new ATOM 1073 N HIS A 72 68.278 -22.184 -2.876 1.00 1.00 N ATOM 1074 CA HIS A 72 69.361 -21.224 -2.521 1.00 1.00 C ATOM 1075 C HIS A 72 70.780 -21.829 -2.410 1.00 1.00 C ATOM 1076 O HIS A 72 71.755 -21.082 -2.506 1.00 1.00 O ATOM 1077 CB HIS A 72 68.984 -20.535 -1.180 1.00 1.00 C ATOM 1078 CG HIS A 72 67.973 -21.379 -0.450 1.00 1.00 C ATOM 1079 ND1 HIS A 72 66.753 -20.876 -0.031 1.00 1.00 N ATOM 1080 CD2 HIS A 72 67.984 -22.698 -0.079 1.00 1.00 C ATOM 1081 CE1 HIS A 72 66.083 -21.880 0.566 1.00 1.00 C ATOM 1082 NE2 HIS A 72 66.791 -23.013 0.561 1.00 1.00 N ATOM 0 H HIS A 72 67.354 -21.886 -2.562 1.00 1.00 H new ATOM 0 HA HIS A 72 69.423 -20.519 -3.350 1.00 1.00 H new ATOM 0 HB2 HIS A 72 69.874 -20.401 -0.565 1.00 1.00 H new ATOM 0 HB3 HIS A 72 68.576 -19.543 -1.371 1.00 1.00 H new ATOM 0 HD1 HIS A 72 66.422 -19.919 -0.152 1.00 1.00 H new ATOM 0 HD2 HIS A 72 68.796 -23.388 -0.257 1.00 1.00 H new ATOM 0 HE1 HIS A 72 65.097 -21.782 0.995 1.00 1.00 H new ATOM 1090 N MET A 73 70.933 -23.139 -2.270 1.00 1.00 N ATOM 1091 CA MET A 73 72.276 -23.716 -2.232 1.00 1.00 C ATOM 1092 C MET A 73 72.867 -23.680 -3.659 1.00 1.00 C ATOM 1093 O MET A 73 74.082 -23.655 -3.851 1.00 1.00 O ATOM 1094 CB MET A 73 72.222 -25.143 -1.673 1.00 1.00 C ATOM 1095 CG MET A 73 71.786 -25.064 -0.206 1.00 1.00 C ATOM 1096 SD MET A 73 71.642 -26.730 0.493 1.00 1.00 S ATOM 1097 CE MET A 73 73.344 -26.881 1.082 1.00 1.00 C ATOM 0 H MET A 73 70.169 -23.809 -2.183 1.00 1.00 H new ATOM 0 HA MET A 73 72.921 -23.137 -1.571 1.00 1.00 H new ATOM 0 HB2 MET A 73 71.521 -25.750 -2.246 1.00 1.00 H new ATOM 0 HB3 MET A 73 73.198 -25.621 -1.755 1.00 1.00 H new ATOM 0 HG2 MET A 73 72.510 -24.483 0.366 1.00 1.00 H new ATOM 0 HG3 MET A 73 70.830 -24.546 -0.130 1.00 1.00 H new ATOM 0 HE1 MET A 73 73.480 -27.853 1.557 1.00 1.00 H new ATOM 0 HE2 MET A 73 74.030 -26.790 0.240 1.00 1.00 H new ATOM 0 HE3 MET A 73 73.550 -26.092 1.805 1.00 1.00 H new ATOM 1107 N VAL A 74 71.952 -23.667 -4.638 1.00 1.00 N ATOM 1108 CA VAL A 74 72.337 -23.608 -6.058 1.00 1.00 C ATOM 1109 C VAL A 74 73.103 -22.306 -6.309 1.00 1.00 C ATOM 1110 O VAL A 74 74.178 -22.343 -6.897 1.00 1.00 O ATOM 1111 CB VAL A 74 71.118 -23.739 -6.983 1.00 1.00 C ATOM 1112 CG1 VAL A 74 71.555 -23.599 -8.448 1.00 1.00 C ATOM 1113 CG2 VAL A 74 70.500 -25.120 -6.788 1.00 1.00 C ATOM 0 H VAL A 74 70.945 -23.696 -4.476 1.00 1.00 H new ATOM 0 HA VAL A 74 72.985 -24.454 -6.289 1.00 1.00 H new ATOM 0 HB VAL A 74 70.397 -22.958 -6.743 1.00 1.00 H new ATOM 0 HG11 VAL A 74 70.685 -23.693 -9.098 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.016 -22.623 -8.598 1.00 1.00 H new ATOM 0 HG13 VAL A 74 72.274 -24.381 -8.689 1.00 1.00 H new ATOM 0 HG21 VAL A 74 69.633 -25.226 -7.440 1.00 1.00 H new ATOM 0 HG22 VAL A 74 71.235 -25.886 -7.035 1.00 1.00 H new ATOM 0 HG23 VAL A 74 70.190 -25.236 -5.750 1.00 1.00 H new ATOM 1123 N ASN A 75 72.518 -21.152 -5.914 1.00 1.00 N ATOM 1124 CA ASN A 75 73.121 -19.803 -6.123 1.00 1.00 C ATOM 1125 C ASN A 75 74.645 -19.804 -6.065 1.00 1.00 C ATOM 1126 O ASN A 75 75.296 -18.866 -6.521 1.00 1.00 O ATOM 1127 CB ASN A 75 72.595 -18.833 -5.056 1.00 1.00 C ATOM 1128 CG ASN A 75 73.152 -17.433 -5.302 1.00 1.00 C ATOM 1129 OD1 ASN A 75 72.610 -16.673 -6.215 1.00 1.00 O flip ATOM 1130 ND2 ASN A 75 74.103 -17.017 -4.639 1.00 1.00 N flip ATOM 0 H ASN A 75 71.615 -21.123 -5.441 1.00 1.00 H new ATOM 0 HA ASN A 75 72.831 -19.490 -7.126 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.506 -18.809 -5.080 1.00 1.00 H new ATOM 0 HB3 ASN A 75 72.884 -19.179 -4.064 1.00 1.00 H new ATOM 0 HD21 ASN A 75 74.526 -17.611 -3.926 1.00 1.00 H new ATOM 0 HD22 ASN A 75 74.467 -16.079 -4.803 1.00 1.00 H new ATOM 1137 N GLY A 76 75.194 -20.878 -5.577 1.00 1.00 N ATOM 1138 CA GLY A 76 76.631 -21.032 -5.549 1.00 1.00 C ATOM 1139 C GLY A 76 77.202 -20.742 -6.948 1.00 1.00 C ATOM 1140 O GLY A 76 78.369 -20.391 -7.077 1.00 1.00 O ATOM 0 H GLY A 76 74.673 -21.665 -5.191 1.00 1.00 H new ATOM 0 HA2 GLY A 76 77.067 -20.351 -4.818 1.00 1.00 H new ATOM 0 HA3 GLY A 76 76.894 -22.043 -5.239 1.00 1.00 H new ATOM 1144 N ILE A 77 76.364 -20.865 -7.995 1.00 1.00 N ATOM 1145 CA ILE A 77 76.797 -20.596 -9.374 1.00 1.00 C ATOM 1146 C ILE A 77 76.843 -19.081 -9.608 1.00 1.00 C ATOM 1147 O ILE A 77 77.873 -18.507 -9.914 1.00 1.00 O ATOM 1148 CB ILE A 77 75.815 -21.266 -10.373 1.00 1.00 C ATOM 1149 CG1 ILE A 77 74.369 -21.284 -9.797 1.00 1.00 C ATOM 1150 CG2 ILE A 77 76.259 -22.711 -10.657 1.00 1.00 C ATOM 1151 CD1 ILE A 77 73.356 -21.109 -10.938 1.00 1.00 C ATOM 0 H ILE A 77 75.388 -21.148 -7.910 1.00 1.00 H new ATOM 0 HA ILE A 77 77.793 -21.011 -9.532 1.00 1.00 H new ATOM 0 HB ILE A 77 75.824 -20.687 -11.296 1.00 1.00 H new ATOM 0 HG12 ILE A 77 74.186 -22.224 -9.276 1.00 1.00 H new ATOM 0 HG13 ILE A 77 74.249 -20.485 -9.065 1.00 1.00 H new ATOM 0 HG21 ILE A 77 75.565 -23.174 -11.359 1.00 1.00 H new ATOM 0 HG22 ILE A 77 77.260 -22.706 -11.087 1.00 1.00 H new ATOM 0 HG23 ILE A 77 76.267 -23.279 -9.727 1.00 1.00 H new ATOM 0 HD11 ILE A 77 72.345 -21.122 -10.532 1.00 1.00 H new ATOM 0 HD12 ILE A 77 73.533 -20.158 -11.439 1.00 1.00 H new ATOM 0 HD13 ILE A 77 73.470 -21.923 -11.654 1.00 1.00 H new ATOM 1163 N VAL A 78 75.656 -18.515 -9.514 1.00 1.00 N ATOM 1164 CA VAL A 78 75.477 -17.085 -9.766 1.00 1.00 C ATOM 1165 C VAL A 78 76.756 -16.390 -9.249 1.00 1.00 C ATOM 1166 O VAL A 78 77.250 -15.440 -9.855 1.00 1.00 O ATOM 1167 CB VAL A 78 74.224 -16.503 -9.123 1.00 1.00 C ATOM 1168 CG1 VAL A 78 74.240 -14.979 -9.282 1.00 1.00 C ATOM 1169 CG2 VAL A 78 73.014 -17.057 -9.866 1.00 1.00 C ATOM 0 H VAL A 78 74.801 -19.014 -9.267 1.00 1.00 H new ATOM 0 HA VAL A 78 75.330 -16.918 -10.833 1.00 1.00 H new ATOM 0 HB VAL A 78 74.183 -16.763 -8.065 1.00 1.00 H new ATOM 0 HG11 VAL A 78 73.346 -14.556 -8.824 1.00 1.00 H new ATOM 0 HG12 VAL A 78 75.125 -14.572 -8.794 1.00 1.00 H new ATOM 0 HG13 VAL A 78 74.260 -14.724 -10.342 1.00 1.00 H new ATOM 0 HG21 VAL A 78 72.101 -16.656 -9.425 1.00 1.00 H new ATOM 0 HG22 VAL A 78 73.068 -16.768 -10.916 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.006 -18.144 -9.789 1.00 1.00 H new ATOM 1179 N ILE A 79 77.331 -16.957 -8.161 1.00 1.00 N ATOM 1180 CA ILE A 79 78.611 -16.484 -7.604 1.00 1.00 C ATOM 1181 C ILE A 79 79.822 -17.347 -8.105 1.00 1.00 C ATOM 1182 O ILE A 79 80.902 -16.822 -8.322 1.00 1.00 O ATOM 1183 CB ILE A 79 78.531 -16.427 -6.046 1.00 1.00 C ATOM 1184 CG1 ILE A 79 79.920 -16.650 -5.394 1.00 1.00 C ATOM 1185 CG2 ILE A 79 77.527 -17.454 -5.515 1.00 1.00 C ATOM 1186 CD1 ILE A 79 80.327 -18.138 -5.355 1.00 1.00 C ATOM 0 H ILE A 79 76.924 -17.743 -7.655 1.00 1.00 H new ATOM 0 HA ILE A 79 78.790 -15.473 -7.969 1.00 1.00 H new ATOM 0 HB ILE A 79 78.189 -15.428 -5.775 1.00 1.00 H new ATOM 0 HG12 ILE A 79 80.671 -16.086 -5.947 1.00 1.00 H new ATOM 0 HG13 ILE A 79 79.908 -16.254 -4.379 1.00 1.00 H new ATOM 0 HG21 ILE A 79 77.488 -17.396 -4.427 1.00 1.00 H new ATOM 0 HG22 ILE A 79 76.539 -17.243 -5.925 1.00 1.00 H new ATOM 0 HG23 ILE A 79 77.838 -18.455 -5.814 1.00 1.00 H new ATOM 0 HD11 ILE A 79 81.307 -18.235 -4.888 1.00 1.00 H new ATOM 0 HD12 ILE A 79 79.593 -18.701 -4.778 1.00 1.00 H new ATOM 0 HD13 ILE A 79 80.368 -18.531 -6.371 1.00 1.00 H new ATOM 1198 N ALA A 80 79.635 -18.663 -8.311 1.00 1.00 N ATOM 1199 CA ALA A 80 80.732 -19.549 -8.798 1.00 1.00 C ATOM 1200 C ALA A 80 80.904 -19.569 -10.328 1.00 1.00 C ATOM 1201 O ALA A 80 81.893 -20.107 -10.827 1.00 1.00 O ATOM 1202 CB ALA A 80 80.607 -20.990 -8.279 1.00 1.00 C ATOM 0 H ALA A 80 78.748 -19.142 -8.153 1.00 1.00 H new ATOM 0 HA ALA A 80 81.630 -19.095 -8.378 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.432 -21.589 -8.665 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.639 -20.988 -7.189 1.00 1.00 H new ATOM 0 HB3 ALA A 80 79.661 -21.416 -8.613 1.00 1.00 H new ATOM 1208 N GLU A 81 79.964 -18.991 -11.079 1.00 1.00 N ATOM 1209 CA GLU A 81 80.057 -18.965 -12.514 1.00 1.00 C ATOM 1210 C GLU A 81 80.815 -17.720 -12.996 1.00 1.00 C ATOM 1211 O GLU A 81 81.935 -17.858 -13.485 1.00 1.00 O ATOM 1212 CB GLU A 81 78.633 -19.002 -13.076 1.00 1.00 C ATOM 1213 CG GLU A 81 78.640 -19.000 -14.604 1.00 1.00 C ATOM 1214 CD GLU A 81 77.202 -19.039 -15.110 1.00 1.00 C ATOM 1215 OE1 GLU A 81 76.305 -18.894 -14.294 1.00 1.00 O ATOM 1216 OE2 GLU A 81 77.015 -19.217 -16.302 1.00 1.00 O ATOM 0 H GLU A 81 79.132 -18.537 -10.702 1.00 1.00 H new ATOM 0 HA GLU A 81 80.619 -19.828 -12.870 1.00 1.00 H new ATOM 0 HB2 GLU A 81 78.120 -19.893 -12.714 1.00 1.00 H new ATOM 0 HB3 GLU A 81 78.073 -18.141 -12.711 1.00 1.00 H new ATOM 0 HG2 GLU A 81 79.146 -18.109 -14.976 1.00 1.00 H new ATOM 0 HG3 GLU A 81 79.194 -19.861 -14.979 1.00 1.00 H new ATOM 1223 N ASP A 82 80.243 -16.496 -12.899 1.00 1.00 N ATOM 1224 CA ASP A 82 80.937 -15.286 -13.378 1.00 1.00 C ATOM 1225 C ASP A 82 81.810 -14.549 -12.332 1.00 1.00 C ATOM 1226 O ASP A 82 82.609 -13.692 -12.709 1.00 1.00 O ATOM 1227 CB ASP A 82 79.895 -14.320 -13.931 1.00 1.00 C ATOM 1228 CG ASP A 82 79.030 -15.040 -14.958 1.00 1.00 C ATOM 1229 OD1 ASP A 82 79.553 -15.381 -16.007 1.00 1.00 O ATOM 1230 OD2 ASP A 82 77.863 -15.248 -14.677 1.00 1.00 O ATOM 0 H ASP A 82 79.320 -16.326 -12.500 1.00 1.00 H new ATOM 0 HA ASP A 82 81.640 -15.630 -14.137 1.00 1.00 H new ATOM 0 HB2 ASP A 82 79.274 -13.936 -13.122 1.00 1.00 H new ATOM 0 HB3 ASP A 82 80.386 -13.462 -14.391 1.00 1.00 H new ATOM 1235 N ALA A 83 81.647 -14.832 -11.036 1.00 1.00 N ATOM 1236 CA ALA A 83 82.453 -14.086 -10.052 1.00 1.00 C ATOM 1237 C ALA A 83 83.946 -14.150 -10.387 1.00 1.00 C ATOM 1238 O ALA A 83 84.639 -13.142 -10.269 1.00 1.00 O ATOM 1239 CB ALA A 83 82.234 -14.548 -8.618 1.00 1.00 C ATOM 0 H ALA A 83 81.006 -15.528 -10.655 1.00 1.00 H new ATOM 0 HA ALA A 83 82.108 -13.054 -10.120 1.00 1.00 H new ATOM 0 HB1 ALA A 83 82.857 -13.958 -7.946 1.00 1.00 H new ATOM 0 HB2 ALA A 83 81.186 -14.417 -8.350 1.00 1.00 H new ATOM 0 HB3 ALA A 83 82.502 -15.601 -8.530 1.00 1.00 H new ATOM 1245 N LEU A 84 84.460 -15.318 -10.782 1.00 1.00 N ATOM 1246 CA LEU A 84 85.888 -15.455 -11.099 1.00 1.00 C ATOM 1247 C LEU A 84 86.411 -14.228 -11.856 1.00 1.00 C ATOM 1248 O LEU A 84 87.614 -13.971 -11.880 1.00 1.00 O ATOM 1249 CB LEU A 84 86.102 -16.722 -11.962 1.00 1.00 C ATOM 1250 CG LEU A 84 86.296 -17.959 -11.071 1.00 1.00 C ATOM 1251 CD1 LEU A 84 85.031 -18.197 -10.245 1.00 1.00 C ATOM 1252 CD2 LEU A 84 86.571 -19.185 -11.950 1.00 1.00 C ATOM 0 H LEU A 84 83.917 -16.175 -10.890 1.00 1.00 H new ATOM 0 HA LEU A 84 86.440 -15.539 -10.163 1.00 1.00 H new ATOM 0 HB2 LEU A 84 85.244 -16.871 -12.618 1.00 1.00 H new ATOM 0 HB3 LEU A 84 86.974 -16.589 -12.603 1.00 1.00 H new ATOM 0 HG LEU A 84 87.141 -17.795 -10.402 1.00 1.00 H new ATOM 0 HD11 LEU A 84 85.169 -19.074 -9.613 1.00 1.00 H new ATOM 0 HD12 LEU A 84 84.836 -17.326 -9.619 1.00 1.00 H new ATOM 0 HD13 LEU A 84 84.185 -18.360 -10.913 1.00 1.00 H new ATOM 0 HD21 LEU A 84 86.709 -20.062 -11.318 1.00 1.00 H new ATOM 0 HD22 LEU A 84 85.727 -19.349 -12.620 1.00 1.00 H new ATOM 0 HD23 LEU A 84 87.473 -19.016 -12.538 1.00 1.00 H new ATOM 1264 N ILE A 85 85.504 -13.479 -12.473 1.00 1.00 N ATOM 1265 CA ILE A 85 85.885 -12.287 -13.228 1.00 1.00 C ATOM 1266 C ILE A 85 85.801 -11.034 -12.359 1.00 1.00 C ATOM 1267 O ILE A 85 86.616 -10.119 -12.511 1.00 1.00 O ATOM 1268 CB ILE A 85 84.975 -12.140 -14.449 1.00 1.00 C ATOM 1269 CG1 ILE A 85 85.169 -13.359 -15.369 1.00 1.00 C ATOM 1270 CG2 ILE A 85 85.349 -10.860 -15.209 1.00 1.00 C ATOM 1271 CD1 ILE A 85 83.943 -13.525 -16.268 1.00 1.00 C ATOM 0 H ILE A 85 84.503 -13.674 -12.467 1.00 1.00 H new ATOM 0 HA ILE A 85 86.919 -12.402 -13.554 1.00 1.00 H new ATOM 0 HB ILE A 85 83.934 -12.082 -14.131 1.00 1.00 H new ATOM 0 HG12 ILE A 85 86.064 -13.229 -15.978 1.00 1.00 H new ATOM 0 HG13 ILE A 85 85.318 -14.258 -14.771 1.00 1.00 H new ATOM 0 HG21 ILE A 85 84.703 -10.752 -16.080 1.00 1.00 H new ATOM 0 HG22 ILE A 85 85.223 -9.998 -14.554 1.00 1.00 H new ATOM 0 HG23 ILE A 85 86.388 -10.920 -15.534 1.00 1.00 H new ATOM 0 HD11 ILE A 85 84.083 -14.389 -16.918 1.00 1.00 H new ATOM 0 HD12 ILE A 85 83.057 -13.675 -15.651 1.00 1.00 H new ATOM 0 HD13 ILE A 85 83.814 -12.630 -16.876 1.00 1.00 H new ATOM 1283 N ALA A 86 84.826 -10.981 -11.443 1.00 1.00 N ATOM 1284 CA ALA A 86 84.674 -9.820 -10.562 1.00 1.00 C ATOM 1285 C ALA A 86 85.420 -10.015 -9.240 1.00 1.00 C ATOM 1286 O ALA A 86 85.789 -9.051 -8.586 1.00 1.00 O ATOM 1287 CB ALA A 86 83.189 -9.583 -10.269 1.00 1.00 C ATOM 0 H ALA A 86 84.139 -11.720 -11.294 1.00 1.00 H new ATOM 0 HA ALA A 86 85.100 -8.957 -11.074 1.00 1.00 H new ATOM 0 HB1 ALA A 86 83.081 -8.719 -9.614 1.00 1.00 H new ATOM 0 HB2 ALA A 86 82.659 -9.398 -11.203 1.00 1.00 H new ATOM 0 HB3 ALA A 86 82.769 -10.463 -9.781 1.00 1.00 H new ATOM 1293 N GLU A 87 85.615 -11.260 -8.821 1.00 1.00 N ATOM 1294 CA GLU A 87 86.300 -11.499 -7.551 1.00 1.00 C ATOM 1295 C GLU A 87 87.672 -10.825 -7.550 1.00 1.00 C ATOM 1296 O GLU A 87 88.345 -10.767 -6.524 1.00 1.00 O ATOM 1297 CB GLU A 87 86.433 -13.001 -7.254 1.00 1.00 C ATOM 1298 CG GLU A 87 87.424 -13.666 -8.215 1.00 1.00 C ATOM 1299 CD GLU A 87 88.860 -13.391 -7.779 1.00 1.00 C ATOM 1300 OE1 GLU A 87 89.286 -13.990 -6.805 1.00 1.00 O ATOM 1301 OE2 GLU A 87 89.511 -12.592 -8.429 1.00 1.00 O ATOM 0 H GLU A 87 85.320 -12.098 -9.322 1.00 1.00 H new ATOM 0 HA GLU A 87 85.694 -11.061 -6.758 1.00 1.00 H new ATOM 0 HB2 GLU A 87 86.766 -13.144 -6.226 1.00 1.00 H new ATOM 0 HB3 GLU A 87 85.458 -13.480 -7.342 1.00 1.00 H new ATOM 0 HG2 GLU A 87 87.246 -14.741 -8.243 1.00 1.00 H new ATOM 0 HG3 GLU A 87 87.267 -13.290 -9.226 1.00 1.00 H new ATOM 1308 N ALA A 88 88.068 -10.285 -8.705 1.00 1.00 N ATOM 1309 CA ALA A 88 89.356 -9.581 -8.819 1.00 1.00 C ATOM 1310 C ALA A 88 89.170 -8.139 -8.359 1.00 1.00 C ATOM 1311 O ALA A 88 90.102 -7.343 -8.297 1.00 1.00 O ATOM 1312 CB ALA A 88 89.858 -9.612 -10.262 1.00 1.00 C ATOM 0 H ALA A 88 87.525 -10.318 -9.568 1.00 1.00 H new ATOM 0 HA ALA A 88 90.097 -10.077 -8.192 1.00 1.00 H new ATOM 0 HB1 ALA A 88 90.811 -9.087 -10.327 1.00 1.00 H new ATOM 0 HB2 ALA A 88 89.991 -10.646 -10.579 1.00 1.00 H new ATOM 0 HB3 ALA A 88 89.130 -9.125 -10.911 1.00 1.00 H new ATOM 1318 N VAL A 89 87.917 -7.857 -8.029 1.00 1.00 N ATOM 1319 CA VAL A 89 87.511 -6.541 -7.542 1.00 1.00 C ATOM 1320 C VAL A 89 87.441 -6.531 -6.018 1.00 1.00 C ATOM 1321 O VAL A 89 86.605 -5.838 -5.442 1.00 1.00 O ATOM 1322 CB VAL A 89 86.201 -6.033 -8.183 1.00 1.00 C ATOM 1323 CG1 VAL A 89 86.250 -6.285 -9.697 1.00 1.00 C ATOM 1324 CG2 VAL A 89 84.948 -6.703 -7.553 1.00 1.00 C ATOM 0 H VAL A 89 87.153 -8.530 -8.090 1.00 1.00 H new ATOM 0 HA VAL A 89 88.280 -5.835 -7.855 1.00 1.00 H new ATOM 0 HB VAL A 89 86.115 -4.963 -7.991 1.00 1.00 H new ATOM 0 HG11 VAL A 89 85.328 -5.928 -10.155 1.00 1.00 H new ATOM 0 HG12 VAL A 89 87.098 -5.753 -10.127 1.00 1.00 H new ATOM 0 HG13 VAL A 89 86.359 -7.353 -9.885 1.00 1.00 H new ATOM 0 HG21 VAL A 89 84.049 -6.317 -8.033 1.00 1.00 H new ATOM 0 HG22 VAL A 89 85.001 -7.782 -7.697 1.00 1.00 H new ATOM 0 HG23 VAL A 89 84.914 -6.480 -6.487 1.00 1.00 H new ATOM 1334 N GLY A 90 88.342 -7.276 -5.348 1.00 1.00 N ATOM 1335 CA GLY A 90 88.365 -7.309 -3.889 1.00 1.00 C ATOM 1336 C GLY A 90 89.031 -6.058 -3.307 1.00 1.00 C ATOM 1337 O GLY A 90 88.579 -5.545 -2.287 1.00 1.00 O ATOM 0 H GLY A 90 89.053 -7.854 -5.796 1.00 1.00 H new ATOM 0 HA2 GLY A 90 87.346 -7.389 -3.510 1.00 1.00 H new ATOM 0 HA3 GLY A 90 88.901 -8.197 -3.553 1.00 1.00 H new ATOM 1341 N PRO A 91 90.068 -5.523 -3.934 1.00 1.00 N ATOM 1342 CA PRO A 91 90.732 -4.276 -3.441 1.00 1.00 C ATOM 1343 C PRO A 91 89.665 -3.244 -3.105 1.00 1.00 C ATOM 1344 O PRO A 91 89.911 -2.251 -2.420 1.00 1.00 O ATOM 1345 CB PRO A 91 91.620 -3.856 -4.614 1.00 1.00 C ATOM 1346 CG PRO A 91 91.975 -5.150 -5.270 1.00 1.00 C ATOM 1347 CD PRO A 91 90.724 -6.028 -5.155 1.00 1.00 C ATOM 0 HA PRO A 91 91.319 -4.400 -2.531 1.00 1.00 H new ATOM 0 HB2 PRO A 91 91.092 -3.192 -5.298 1.00 1.00 H new ATOM 0 HB3 PRO A 91 92.508 -3.323 -4.274 1.00 1.00 H new ATOM 0 HG2 PRO A 91 92.252 -4.997 -6.313 1.00 1.00 H new ATOM 0 HG3 PRO A 91 92.828 -5.617 -4.779 1.00 1.00 H new ATOM 0 HD2 PRO A 91 90.080 -5.928 -6.029 1.00 1.00 H new ATOM 0 HD3 PRO A 91 90.980 -7.084 -5.067 1.00 1.00 H new ATOM 1355 N HIS A 92 88.468 -3.527 -3.601 1.00 1.00 N ATOM 1356 CA HIS A 92 87.328 -2.675 -3.372 1.00 1.00 C ATOM 1357 C HIS A 92 87.159 -2.521 -1.870 1.00 1.00 C ATOM 1358 O HIS A 92 86.499 -1.603 -1.411 1.00 1.00 O ATOM 1359 CB HIS A 92 86.062 -3.271 -4.017 1.00 1.00 C ATOM 1360 CG HIS A 92 85.658 -4.557 -3.339 1.00 1.00 C ATOM 1361 ND1 HIS A 92 86.232 -4.995 -2.157 1.00 1.00 N ATOM 1362 CD2 HIS A 92 84.724 -5.509 -3.676 1.00 1.00 C ATOM 1363 CE1 HIS A 92 85.644 -6.162 -1.828 1.00 1.00 C ATOM 1364 NE2 HIS A 92 84.718 -6.519 -2.721 1.00 1.00 N ATOM 0 H HIS A 92 88.269 -4.351 -4.169 1.00 1.00 H new ATOM 0 HA HIS A 92 87.486 -1.699 -3.830 1.00 1.00 H new ATOM 0 HB2 HIS A 92 85.246 -2.552 -3.954 1.00 1.00 H new ATOM 0 HB3 HIS A 92 86.243 -3.456 -5.076 1.00 1.00 H new ATOM 0 HD2 HIS A 92 84.091 -5.477 -4.550 1.00 1.00 H new ATOM 0 HE1 HIS A 92 85.892 -6.738 -0.949 1.00 1.00 H new ATOM 0 HE2 HIS A 92 84.132 -7.354 -2.706 1.00 1.00 H new ATOM 1372 N LEU A 93 87.815 -3.400 -1.104 1.00 1.00 N ATOM 1373 CA LEU A 93 87.770 -3.290 0.351 1.00 1.00 C ATOM 1374 C LEU A 93 88.434 -1.982 0.771 1.00 1.00 C ATOM 1375 O LEU A 93 87.811 -1.140 1.419 1.00 1.00 O ATOM 1376 CB LEU A 93 88.467 -4.493 1.019 1.00 1.00 C ATOM 1377 CG LEU A 93 89.921 -4.677 0.480 1.00 1.00 C ATOM 1378 CD1 LEU A 93 90.962 -4.073 1.458 1.00 1.00 C ATOM 1379 CD2 LEU A 93 90.226 -6.174 0.287 1.00 1.00 C ATOM 0 H LEU A 93 88.371 -4.178 -1.461 1.00 1.00 H new ATOM 0 HA LEU A 93 86.730 -3.292 0.678 1.00 1.00 H new ATOM 0 HB2 LEU A 93 88.493 -4.347 2.099 1.00 1.00 H new ATOM 0 HB3 LEU A 93 87.891 -5.399 0.833 1.00 1.00 H new ATOM 0 HG LEU A 93 89.990 -4.155 -0.475 1.00 1.00 H new ATOM 0 HD11 LEU A 93 91.965 -4.216 1.056 1.00 1.00 H new ATOM 0 HD12 LEU A 93 90.769 -3.007 1.582 1.00 1.00 H new ATOM 0 HD13 LEU A 93 90.884 -4.570 2.425 1.00 1.00 H new ATOM 0 HD21 LEU A 93 91.242 -6.293 -0.089 1.00 1.00 H new ATOM 0 HD22 LEU A 93 90.130 -6.691 1.242 1.00 1.00 H new ATOM 0 HD23 LEU A 93 89.522 -6.599 -0.428 1.00 1.00 H new ATOM 1391 N ALA A 94 89.706 -1.807 0.396 1.00 1.00 N ATOM 1392 CA ALA A 94 90.420 -0.589 0.745 1.00 1.00 C ATOM 1393 C ALA A 94 89.656 0.601 0.197 1.00 1.00 C ATOM 1394 O ALA A 94 89.359 1.544 0.927 1.00 1.00 O ATOM 1395 CB ALA A 94 91.838 -0.597 0.162 1.00 1.00 C ATOM 0 H ALA A 94 90.249 -2.484 -0.140 1.00 1.00 H new ATOM 0 HA ALA A 94 90.497 -0.525 1.830 1.00 1.00 H new ATOM 0 HB1 ALA A 94 92.350 0.325 0.438 1.00 1.00 H new ATOM 0 HB2 ALA A 94 92.389 -1.450 0.557 1.00 1.00 H new ATOM 0 HB3 ALA A 94 91.784 -0.671 -0.924 1.00 1.00 H new ATOM 1401 N ARG A 95 89.352 0.557 -1.098 1.00 1.00 N ATOM 1402 CA ARG A 95 88.628 1.655 -1.700 1.00 1.00 C ATOM 1403 C ARG A 95 87.282 1.795 -0.991 1.00 1.00 C ATOM 1404 O ARG A 95 86.986 2.803 -0.342 1.00 1.00 O ATOM 1405 CB ARG A 95 88.438 1.394 -3.213 1.00 1.00 C ATOM 1406 CG ARG A 95 88.449 2.711 -4.019 1.00 1.00 C ATOM 1407 CD ARG A 95 87.077 3.385 -3.940 1.00 1.00 C ATOM 1408 NE ARG A 95 86.055 2.498 -4.482 1.00 1.00 N ATOM 1409 CZ ARG A 95 85.857 2.393 -5.793 1.00 1.00 C ATOM 1410 NH1 ARG A 95 86.602 3.073 -6.620 1.00 1.00 N ATOM 1411 NH2 ARG A 95 84.924 1.604 -6.249 1.00 1.00 N ATOM 0 H ARG A 95 89.591 -0.208 -1.729 1.00 1.00 H new ATOM 0 HA ARG A 95 89.187 2.584 -1.591 1.00 1.00 H new ATOM 0 HB2 ARG A 95 89.231 0.739 -3.573 1.00 1.00 H new ATOM 0 HB3 ARG A 95 87.495 0.873 -3.378 1.00 1.00 H new ATOM 0 HG2 ARG A 95 89.215 3.380 -3.627 1.00 1.00 H new ATOM 0 HG3 ARG A 95 88.704 2.508 -5.059 1.00 1.00 H new ATOM 0 HD2 ARG A 95 86.843 3.633 -2.905 1.00 1.00 H new ATOM 0 HD3 ARG A 95 87.090 4.322 -4.497 1.00 1.00 H new ATOM 0 HE ARG A 95 85.481 1.947 -3.844 1.00 1.00 H new ATOM 0 HH11 ARG A 95 87.335 3.684 -6.261 1.00 1.00 H new ATOM 0 HH12 ARG A 95 86.451 2.993 -7.626 1.00 1.00 H new ATOM 0 HH21 ARG A 95 84.347 1.068 -5.600 1.00 1.00 H new ATOM 0 HH22 ARG A 95 84.771 1.523 -7.254 1.00 1.00 H new ATOM 1425 N ALA A 96 86.435 0.798 -1.018 1.00 1.00 N ATOM 1426 CA ALA A 96 85.185 0.951 -0.336 1.00 1.00 C ATOM 1427 C ALA A 96 85.381 1.504 1.072 1.00 1.00 C ATOM 1428 O ALA A 96 84.394 1.641 1.766 1.00 1.00 O ATOM 1429 CB ALA A 96 84.410 -0.336 -0.363 1.00 1.00 C ATOM 0 H ALA A 96 86.582 -0.096 -1.487 1.00 1.00 H new ATOM 0 HA ALA A 96 84.586 1.692 -0.865 1.00 1.00 H new ATOM 0 HB1 ALA A 96 83.463 -0.202 0.160 1.00 1.00 H new ATOM 0 HB2 ALA A 96 84.216 -0.623 -1.397 1.00 1.00 H new ATOM 0 HB3 ALA A 96 84.988 -1.119 0.128 1.00 1.00 H new ATOM 1435 N LEU A 97 86.662 1.532 1.578 1.00 1.00 N ATOM 1436 CA LEU A 97 86.986 1.770 3.015 1.00 1.00 C ATOM 1437 C LEU A 97 85.720 1.802 3.828 1.00 1.00 C ATOM 1438 O LEU A 97 85.658 1.076 4.804 1.00 1.00 O ATOM 1439 CB LEU A 97 87.718 3.145 3.078 1.00 1.00 C ATOM 1440 CG LEU A 97 87.730 3.786 4.492 1.00 1.00 C ATOM 1441 CD1 LEU A 97 88.824 3.159 5.356 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.012 5.292 4.360 1.00 1.00 C ATOM 0 H LEU A 97 87.488 1.390 0.997 1.00 1.00 H new ATOM 0 HA LEU A 97 87.614 0.977 3.423 1.00 1.00 H new ATOM 0 HB2 LEU A 97 88.746 3.014 2.740 1.00 1.00 H new ATOM 0 HB3 LEU A 97 87.239 3.833 2.382 1.00 1.00 H new ATOM 0 HG LEU A 97 86.761 3.616 4.961 1.00 1.00 H new ATOM 0 HD11 LEU A 97 88.817 3.621 6.343 1.00 1.00 H new ATOM 0 HD12 LEU A 97 88.641 2.089 5.455 1.00 1.00 H new ATOM 0 HD13 LEU A 97 89.795 3.320 4.887 1.00 1.00 H new ATOM 0 HD21 LEU A 97 88.022 5.748 5.350 1.00 1.00 H new ATOM 0 HD22 LEU A 97 88.981 5.440 3.882 1.00 1.00 H new ATOM 0 HD23 LEU A 97 87.234 5.756 3.754 1.00 1.00 H new ATOM 1454 N GLY A 98 84.690 2.514 3.487 1.00 1.00 N ATOM 1455 CA GLY A 98 83.480 2.367 4.251 1.00 1.00 C ATOM 1456 C GLY A 98 83.184 0.852 4.363 1.00 1.00 C ATOM 1457 O GLY A 98 82.544 0.414 5.333 1.00 1.00 O ATOM 0 H GLY A 98 84.655 3.180 2.715 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.595 2.810 5.240 1.00 1.00 H new ATOM 0 HA3 GLY A 98 82.653 2.885 3.764 1.00 1.00 H new ATOM 1461 N GLN A 99 83.708 0.021 3.395 1.00 1.00 N ATOM 1462 CA GLN A 99 83.480 -1.429 3.551 1.00 1.00 C ATOM 1463 C GLN A 99 84.197 -1.857 4.807 1.00 1.00 C ATOM 1464 O GLN A 99 83.908 -2.901 5.389 1.00 1.00 O ATOM 1465 CB GLN A 99 84.022 -2.297 2.390 1.00 1.00 C ATOM 1466 CG GLN A 99 82.889 -2.720 1.430 1.00 1.00 C ATOM 1467 CD GLN A 99 83.452 -3.531 0.258 1.00 1.00 C ATOM 1468 OE1 GLN A 99 84.578 -3.310 -0.179 1.00 1.00 O ATOM 1469 NE2 GLN A 99 82.723 -4.467 -0.276 1.00 1.00 N ATOM 0 H GLN A 99 84.242 0.312 2.576 1.00 1.00 H new ATOM 0 HA GLN A 99 82.401 -1.581 3.576 1.00 1.00 H new ATOM 0 HB2 GLN A 99 84.779 -1.739 1.839 1.00 1.00 H new ATOM 0 HB3 GLN A 99 84.510 -3.184 2.793 1.00 1.00 H new ATOM 0 HG2 GLN A 99 82.151 -3.314 1.969 1.00 1.00 H new ATOM 0 HG3 GLN A 99 82.374 -1.836 1.054 1.00 1.00 H new ATOM 0 HE21 GLN A 99 81.787 -4.653 0.085 1.00 1.00 H new ATOM 0 HE22 GLN A 99 83.087 -5.015 -1.055 1.00 1.00 H new ATOM 1478 N ILE A 100 85.139 -1.045 5.241 1.00 1.00 N ATOM 1479 CA ILE A 100 85.870 -1.388 6.450 1.00 1.00 C ATOM 1480 C ILE A 100 84.896 -1.361 7.619 1.00 1.00 C ATOM 1481 O ILE A 100 84.994 -2.179 8.529 1.00 1.00 O ATOM 1482 CB ILE A 100 87.084 -0.429 6.702 1.00 1.00 C ATOM 1483 CG1 ILE A 100 88.255 -1.218 7.346 1.00 1.00 C ATOM 1484 CG2 ILE A 100 86.698 0.734 7.637 1.00 1.00 C ATOM 1485 CD1 ILE A 100 89.077 -1.925 6.258 1.00 1.00 C ATOM 0 H ILE A 100 85.413 -0.170 4.794 1.00 1.00 H new ATOM 0 HA ILE A 100 86.295 -2.386 6.338 1.00 1.00 H new ATOM 0 HB ILE A 100 87.387 -0.020 5.738 1.00 1.00 H new ATOM 0 HG12 ILE A 100 88.893 -0.539 7.912 1.00 1.00 H new ATOM 0 HG13 ILE A 100 87.865 -1.951 8.052 1.00 1.00 H new ATOM 0 HG21 ILE A 100 87.563 1.380 7.791 1.00 1.00 H new ATOM 0 HG22 ILE A 100 85.890 1.310 7.186 1.00 1.00 H new ATOM 0 HG23 ILE A 100 86.368 0.335 8.596 1.00 1.00 H new ATOM 0 HD11 ILE A 100 89.896 -2.476 6.721 1.00 1.00 H new ATOM 0 HD12 ILE A 100 88.437 -2.618 5.711 1.00 1.00 H new ATOM 0 HD13 ILE A 100 89.482 -1.184 5.569 1.00 1.00 H new ATOM 1497 N VAL A 101 83.981 -0.389 7.624 1.00 1.00 N ATOM 1498 CA VAL A 101 83.041 -0.291 8.737 1.00 1.00 C ATOM 1499 C VAL A 101 82.215 -1.585 8.864 1.00 1.00 C ATOM 1500 O VAL A 101 82.280 -2.255 9.878 1.00 1.00 O ATOM 1501 CB VAL A 101 82.099 0.917 8.540 1.00 1.00 C ATOM 1502 CG1 VAL A 101 81.061 0.967 9.666 1.00 1.00 C ATOM 1503 CG2 VAL A 101 82.907 2.219 8.575 1.00 1.00 C ATOM 0 H VAL A 101 83.873 0.318 6.896 1.00 1.00 H new ATOM 0 HA VAL A 101 83.612 -0.149 9.655 1.00 1.00 H new ATOM 0 HB VAL A 101 81.599 0.808 7.577 1.00 1.00 H new ATOM 0 HG11 VAL A 101 80.403 1.823 9.516 1.00 1.00 H new ATOM 0 HG12 VAL A 101 80.472 0.050 9.659 1.00 1.00 H new ATOM 0 HG13 VAL A 101 81.569 1.064 10.625 1.00 1.00 H new ATOM 0 HG21 VAL A 101 82.237 3.067 8.435 1.00 1.00 H new ATOM 0 HG22 VAL A 101 83.411 2.309 9.538 1.00 1.00 H new ATOM 0 HG23 VAL A 101 83.649 2.208 7.777 1.00 1.00 H new ATOM 1513 N CYS A 102 81.422 -1.923 7.853 1.00 1.00 N ATOM 1514 CA CYS A 102 80.592 -3.139 7.967 1.00 1.00 C ATOM 1515 C CYS A 102 81.436 -4.336 8.458 1.00 1.00 C ATOM 1516 O CYS A 102 80.902 -5.307 8.992 1.00 1.00 O ATOM 1517 CB CYS A 102 79.850 -3.487 6.650 1.00 1.00 C ATOM 1518 SG CYS A 102 80.659 -2.718 5.239 1.00 1.00 S ATOM 0 H CYS A 102 81.330 -1.406 6.979 1.00 1.00 H new ATOM 0 HA CYS A 102 79.823 -2.925 8.709 1.00 1.00 H new ATOM 0 HB2 CYS A 102 79.825 -4.568 6.516 1.00 1.00 H new ATOM 0 HB3 CYS A 102 78.815 -3.150 6.710 1.00 1.00 H new ATOM 1523 N ARG A 103 82.754 -4.223 8.329 1.00 1.00 N ATOM 1524 CA ARG A 103 83.672 -5.279 8.809 1.00 1.00 C ATOM 1525 C ARG A 103 84.074 -5.071 10.280 1.00 1.00 C ATOM 1526 O ARG A 103 83.982 -5.974 11.111 1.00 1.00 O ATOM 1527 CB ARG A 103 84.932 -5.327 7.917 1.00 1.00 C ATOM 1528 CG ARG A 103 86.021 -6.217 8.557 1.00 1.00 C ATOM 1529 CD ARG A 103 87.177 -6.486 7.558 1.00 1.00 C ATOM 1530 NE ARG A 103 88.452 -6.010 8.106 1.00 1.00 N ATOM 1531 CZ ARG A 103 88.909 -6.439 9.279 1.00 1.00 C ATOM 1532 NH1 ARG A 103 88.214 -7.293 9.980 1.00 1.00 N ATOM 1533 NH2 ARG A 103 90.055 -6.003 9.733 1.00 1.00 N ATOM 0 H ARG A 103 83.219 -3.422 7.901 1.00 1.00 H new ATOM 0 HA ARG A 103 83.142 -6.229 8.747 1.00 1.00 H new ATOM 0 HB2 ARG A 103 84.672 -5.714 6.932 1.00 1.00 H new ATOM 0 HB3 ARG A 103 85.319 -4.318 7.771 1.00 1.00 H new ATOM 0 HG2 ARG A 103 86.413 -5.732 9.451 1.00 1.00 H new ATOM 0 HG3 ARG A 103 85.582 -7.163 8.874 1.00 1.00 H new ATOM 0 HD2 ARG A 103 87.241 -7.553 7.346 1.00 1.00 H new ATOM 0 HD3 ARG A 103 86.972 -5.985 6.612 1.00 1.00 H new ATOM 0 HE ARG A 103 89.001 -5.334 7.575 1.00 1.00 H new ATOM 0 HH11 ARG A 103 87.319 -7.633 9.628 1.00 1.00 H new ATOM 0 HH12 ARG A 103 88.566 -7.621 10.879 1.00 1.00 H new ATOM 0 HH21 ARG A 103 90.598 -5.334 9.188 1.00 1.00 H new ATOM 0 HH22 ARG A 103 90.406 -6.332 10.633 1.00 1.00 H new ATOM 1547 N TYR A 104 84.488 -3.847 10.558 1.00 1.00 N ATOM 1548 CA TYR A 104 84.902 -3.355 11.882 1.00 1.00 C ATOM 1549 C TYR A 104 83.837 -2.439 12.497 1.00 1.00 C ATOM 1550 O TYR A 104 84.154 -1.639 13.377 1.00 1.00 O ATOM 1551 CB TYR A 104 86.275 -2.677 11.854 1.00 1.00 C ATOM 1552 CG TYR A 104 86.805 -2.566 13.279 1.00 1.00 C ATOM 1553 CD1 TYR A 104 87.099 -3.728 14.017 1.00 1.00 C ATOM 1554 CD2 TYR A 104 86.984 -1.308 13.867 1.00 1.00 C ATOM 1555 CE1 TYR A 104 87.571 -3.625 15.334 1.00 1.00 C ATOM 1556 CE2 TYR A 104 87.456 -1.208 15.184 1.00 1.00 C ATOM 1557 CZ TYR A 104 87.748 -2.366 15.917 1.00 1.00 C ATOM 1558 OH TYR A 104 88.218 -2.264 17.213 1.00 1.00 O ATOM 0 H TYR A 104 84.552 -3.126 9.839 1.00 1.00 H new ATOM 0 HA TYR A 104 85.000 -4.231 12.523 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.967 -3.253 11.239 1.00 1.00 H new ATOM 0 HB3 TYR A 104 86.197 -1.687 11.404 1.00 1.00 H new ATOM 0 HD1 TYR A 104 86.961 -4.701 13.568 1.00 1.00 H new ATOM 0 HD2 TYR A 104 86.758 -0.413 13.306 1.00 1.00 H new ATOM 0 HE1 TYR A 104 87.798 -4.518 15.898 1.00 1.00 H new ATOM 0 HE2 TYR A 104 87.595 -0.236 15.634 1.00 1.00 H new ATOM 0 HH TYR A 104 88.284 -1.319 17.464 1.00 1.00 H new ATOM 1568 N GLY A 105 82.579 -2.537 12.053 1.00 1.00 N ATOM 1569 CA GLY A 105 81.529 -1.680 12.607 1.00 1.00 C ATOM 1570 C GLY A 105 80.134 -2.255 12.370 1.00 1.00 C ATOM 1571 O GLY A 105 79.154 -1.739 12.910 1.00 1.00 O ATOM 0 H GLY A 105 82.269 -3.185 11.329 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.692 -1.554 13.677 1.00 1.00 H new ATOM 0 HA3 GLY A 105 81.594 -0.690 12.156 1.00 1.00 H new ATOM 1575 N ALA A 106 80.055 -3.322 11.570 1.00 1.00 N ATOM 1576 CA ALA A 106 78.782 -3.981 11.265 1.00 1.00 C ATOM 1577 C ALA A 106 77.768 -3.836 12.403 1.00 1.00 C ATOM 1578 O ALA A 106 77.954 -4.423 13.468 1.00 1.00 O ATOM 1579 CB ALA A 106 79.065 -5.487 11.021 1.00 1.00 C ATOM 0 H ALA A 106 80.864 -3.750 11.119 1.00 1.00 H new ATOM 0 HA ALA A 106 78.350 -3.508 10.383 1.00 1.00 H new ATOM 0 HB1 ALA A 106 78.131 -6.000 10.792 1.00 1.00 H new ATOM 0 HB2 ALA A 106 79.754 -5.597 10.184 1.00 1.00 H new ATOM 0 HB3 ALA A 106 79.509 -5.924 11.916 1.00 1.00 H new ATOM 1585 N THR A 107 76.662 -3.117 12.171 1.00 1.00 N ATOM 1586 CA THR A 107 75.606 -2.979 13.169 1.00 1.00 C ATOM 1587 C THR A 107 74.300 -3.200 12.417 1.00 1.00 C ATOM 1588 O THR A 107 73.551 -4.128 12.694 1.00 1.00 O ATOM 1589 CB THR A 107 75.609 -1.583 13.797 1.00 1.00 C ATOM 1590 OG1 THR A 107 76.917 -1.277 14.262 1.00 1.00 O ATOM 1591 CG2 THR A 107 74.625 -1.546 14.971 1.00 1.00 C ATOM 0 H THR A 107 76.480 -2.623 11.297 1.00 1.00 H new ATOM 0 HA THR A 107 75.746 -3.691 13.982 1.00 1.00 H new ATOM 0 HB THR A 107 75.307 -0.848 13.051 1.00 1.00 H new ATOM 0 HG1 THR A 107 77.533 -1.236 13.501 1.00 1.00 H new ATOM 0 HG21 THR A 107 74.628 -0.552 15.417 1.00 1.00 H new ATOM 0 HG22 THR A 107 73.622 -1.780 14.613 1.00 1.00 H new ATOM 0 HG23 THR A 107 74.923 -2.280 15.719 1.00 1.00 H new ATOM 1599 N VAL A 108 74.011 -2.332 11.459 1.00 1.00 N ATOM 1600 CA VAL A 108 72.805 -2.475 10.690 1.00 1.00 C ATOM 1601 C VAL A 108 72.864 -3.766 9.886 1.00 1.00 C ATOM 1602 O VAL A 108 72.107 -3.915 8.928 1.00 1.00 O ATOM 1603 CB VAL A 108 72.621 -1.273 9.739 1.00 1.00 C ATOM 1604 CG1 VAL A 108 73.736 -1.259 8.684 1.00 1.00 C ATOM 1605 CG2 VAL A 108 71.246 -1.352 9.034 1.00 1.00 C ATOM 0 H VAL A 108 74.593 -1.534 11.205 1.00 1.00 H new ATOM 0 HA VAL A 108 71.956 -2.508 11.372 1.00 1.00 H new ATOM 0 HB VAL A 108 72.669 -0.357 10.327 1.00 1.00 H new ATOM 0 HG11 VAL A 108 73.597 -0.407 8.018 1.00 1.00 H new ATOM 0 HG12 VAL A 108 74.704 -1.178 9.179 1.00 1.00 H new ATOM 0 HG13 VAL A 108 73.700 -2.182 8.105 1.00 1.00 H new ATOM 0 HG21 VAL A 108 71.130 -0.498 8.367 1.00 1.00 H new ATOM 0 HG22 VAL A 108 71.186 -2.275 8.457 1.00 1.00 H new ATOM 0 HG23 VAL A 108 70.453 -1.339 9.781 1.00 1.00 H new ATOM 1615 N ILE A 109 73.678 -4.769 10.311 1.00 1.00 N ATOM 1616 CA ILE A 109 73.700 -6.077 9.656 1.00 1.00 C ATOM 1617 C ILE A 109 73.196 -7.134 10.689 1.00 1.00 C ATOM 1618 O ILE A 109 72.214 -7.803 10.409 1.00 1.00 O ATOM 1619 CB ILE A 109 75.080 -6.377 8.965 1.00 1.00 C ATOM 1620 CG1 ILE A 109 75.559 -7.817 9.225 1.00 1.00 C ATOM 1621 CG2 ILE A 109 76.153 -5.371 9.395 1.00 1.00 C ATOM 1622 CD1 ILE A 109 76.798 -8.130 8.356 1.00 1.00 C ATOM 0 H ILE A 109 74.319 -4.684 11.100 1.00 1.00 H new ATOM 0 HA ILE A 109 73.016 -6.110 8.808 1.00 1.00 H new ATOM 0 HB ILE A 109 74.919 -6.271 7.892 1.00 1.00 H new ATOM 0 HG12 ILE A 109 75.804 -7.942 10.280 1.00 1.00 H new ATOM 0 HG13 ILE A 109 74.759 -8.521 8.998 1.00 1.00 H new ATOM 0 HG21 ILE A 109 77.094 -5.608 8.898 1.00 1.00 H new ATOM 0 HG22 ILE A 109 75.840 -4.364 9.118 1.00 1.00 H new ATOM 0 HG23 ILE A 109 76.289 -5.424 10.475 1.00 1.00 H new ATOM 0 HD11 ILE A 109 77.128 -9.151 8.548 1.00 1.00 H new ATOM 0 HD12 ILE A 109 76.540 -8.024 7.302 1.00 1.00 H new ATOM 0 HD13 ILE A 109 77.601 -7.436 8.604 1.00 1.00 H new ATOM 1634 N PRO A 110 73.759 -7.262 11.918 1.00 1.00 N ATOM 1635 CA PRO A 110 73.211 -8.221 12.947 1.00 1.00 C ATOM 1636 C PRO A 110 71.705 -8.017 13.188 1.00 1.00 C ATOM 1637 O PRO A 110 70.977 -8.967 13.466 1.00 1.00 O ATOM 1638 CB PRO A 110 74.014 -7.903 14.235 1.00 1.00 C ATOM 1639 CG PRO A 110 74.612 -6.565 13.982 1.00 1.00 C ATOM 1640 CD PRO A 110 74.943 -6.583 12.493 1.00 1.00 C ATOM 0 HA PRO A 110 73.315 -9.256 12.622 1.00 1.00 H new ATOM 0 HB2 PRO A 110 73.367 -7.889 15.112 1.00 1.00 H new ATOM 0 HB3 PRO A 110 74.783 -8.653 14.418 1.00 1.00 H new ATOM 0 HG2 PRO A 110 73.914 -5.764 14.226 1.00 1.00 H new ATOM 0 HG3 PRO A 110 75.504 -6.406 14.587 1.00 1.00 H new ATOM 0 HD2 PRO A 110 75.070 -5.577 12.092 1.00 1.00 H new ATOM 0 HD3 PRO A 110 75.865 -7.127 12.287 1.00 1.00 H new ATOM 1648 N ASN A 111 71.239 -6.774 13.158 1.00 1.00 N ATOM 1649 CA ASN A 111 69.825 -6.531 13.427 1.00 1.00 C ATOM 1650 C ASN A 111 68.968 -7.099 12.292 1.00 1.00 C ATOM 1651 O ASN A 111 68.253 -8.082 12.489 1.00 1.00 O ATOM 1652 CB ASN A 111 69.594 -5.026 13.583 1.00 1.00 C ATOM 1653 CG ASN A 111 68.107 -4.706 13.574 1.00 1.00 C ATOM 1654 OD1 ASN A 111 67.445 -4.784 14.609 1.00 1.00 O ATOM 1655 ND2 ASN A 111 67.543 -4.349 12.456 1.00 1.00 N ATOM 0 H ASN A 111 71.796 -5.944 12.957 1.00 1.00 H new ATOM 0 HA ASN A 111 69.535 -7.031 14.351 1.00 1.00 H new ATOM 0 HB2 ASN A 111 70.040 -4.679 14.515 1.00 1.00 H new ATOM 0 HB3 ASN A 111 70.091 -4.491 12.774 1.00 1.00 H new ATOM 0 HD21 ASN A 111 66.547 -4.132 12.434 1.00 1.00 H new ATOM 0 HD22 ASN A 111 68.098 -4.286 11.602 1.00 1.00 H new ATOM 1662 N ILE A 112 69.050 -6.499 11.103 1.00 1.00 N ATOM 1663 CA ILE A 112 68.280 -6.983 9.958 1.00 1.00 C ATOM 1664 C ILE A 112 68.526 -8.478 9.821 1.00 1.00 C ATOM 1665 O ILE A 112 67.744 -9.235 9.261 1.00 1.00 O ATOM 1666 CB ILE A 112 68.764 -6.240 8.684 1.00 1.00 C ATOM 1667 CG1 ILE A 112 70.069 -6.886 8.141 1.00 1.00 C ATOM 1668 CG2 ILE A 112 69.043 -4.773 9.045 1.00 1.00 C ATOM 1669 CD1 ILE A 112 70.640 -6.109 6.948 1.00 1.00 C ATOM 0 H ILE A 112 69.635 -5.686 10.910 1.00 1.00 H new ATOM 0 HA ILE A 112 67.214 -6.799 10.094 1.00 1.00 H new ATOM 0 HB ILE A 112 67.993 -6.306 7.916 1.00 1.00 H new ATOM 0 HG12 ILE A 112 70.812 -6.926 8.937 1.00 1.00 H new ATOM 0 HG13 ILE A 112 69.867 -7.914 7.841 1.00 1.00 H new ATOM 0 HG21 ILE A 112 69.384 -4.239 8.158 1.00 1.00 H new ATOM 0 HG22 ILE A 112 68.130 -4.310 9.419 1.00 1.00 H new ATOM 0 HG23 ILE A 112 69.814 -4.728 9.815 1.00 1.00 H new ATOM 0 HD11 ILE A 112 71.552 -6.595 6.600 1.00 1.00 H new ATOM 0 HD12 ILE A 112 69.907 -6.091 6.141 1.00 1.00 H new ATOM 0 HD13 ILE A 112 70.867 -5.088 7.254 1.00 1.00 H new ATOM 1681 N ASN A 113 69.679 -8.832 10.323 1.00 1.00 N ATOM 1682 CA ASN A 113 70.107 -10.219 10.241 1.00 1.00 C ATOM 1683 C ASN A 113 69.079 -11.066 10.948 1.00 1.00 C ATOM 1684 O ASN A 113 68.576 -11.998 10.370 1.00 1.00 O ATOM 1685 CB ASN A 113 71.503 -10.502 10.803 1.00 1.00 C ATOM 1686 CG ASN A 113 71.789 -11.999 10.772 1.00 1.00 C ATOM 1687 OD1 ASN A 113 71.262 -12.752 11.591 1.00 1.00 O ATOM 1688 ND2 ASN A 113 72.610 -12.476 9.878 1.00 1.00 N ATOM 0 H ASN A 113 70.333 -8.201 10.786 1.00 1.00 H new ATOM 0 HA ASN A 113 70.183 -10.465 9.182 1.00 1.00 H new ATOM 0 HB2 ASN A 113 72.253 -9.969 10.219 1.00 1.00 H new ATOM 0 HB3 ASN A 113 71.573 -10.132 11.826 1.00 1.00 H new ATOM 0 HD21 ASN A 113 72.816 -13.475 9.856 1.00 1.00 H new ATOM 0 HD22 ASN A 113 73.046 -11.850 9.200 1.00 1.00 H new ATOM 1695 N ALA A 114 68.732 -10.746 12.184 1.00 1.00 N ATOM 1696 CA ALA A 114 67.739 -11.541 12.885 1.00 1.00 C ATOM 1697 C ALA A 114 66.357 -11.487 12.232 1.00 1.00 C ATOM 1698 O ALA A 114 65.635 -12.470 12.290 1.00 1.00 O ATOM 1699 CB ALA A 114 67.629 -11.074 14.339 1.00 1.00 C ATOM 0 H ALA A 114 69.113 -9.961 12.712 1.00 1.00 H new ATOM 0 HA ALA A 114 68.079 -12.576 12.838 1.00 1.00 H new ATOM 0 HB1 ALA A 114 66.882 -11.675 14.859 1.00 1.00 H new ATOM 0 HB2 ALA A 114 68.594 -11.189 14.832 1.00 1.00 H new ATOM 0 HB3 ALA A 114 67.332 -10.026 14.363 1.00 1.00 H new ATOM 1705 N ALA A 115 65.978 -10.374 11.585 1.00 1.00 N ATOM 1706 CA ALA A 115 64.663 -10.308 10.918 1.00 1.00 C ATOM 1707 C ALA A 115 64.717 -10.892 9.503 1.00 1.00 C ATOM 1708 O ALA A 115 63.981 -11.817 9.162 1.00 1.00 O ATOM 1709 CB ALA A 115 64.181 -8.855 10.846 1.00 1.00 C ATOM 0 H ALA A 115 66.543 -9.528 11.508 1.00 1.00 H new ATOM 0 HA ALA A 115 63.966 -10.903 11.509 1.00 1.00 H new ATOM 0 HB1 ALA A 115 63.210 -8.818 10.352 1.00 1.00 H new ATOM 0 HB2 ALA A 115 64.091 -8.451 11.854 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.899 -8.261 10.280 1.00 1.00 H new ATOM 1715 N ILE A 116 65.592 -10.297 8.691 1.00 1.00 N ATOM 1716 CA ILE A 116 65.713 -10.741 7.298 1.00 1.00 C ATOM 1717 C ILE A 116 65.896 -12.252 7.321 1.00 1.00 C ATOM 1718 O ILE A 116 65.146 -13.013 6.727 1.00 1.00 O ATOM 1719 CB ILE A 116 66.899 -10.072 6.574 1.00 1.00 C ATOM 1720 CG1 ILE A 116 66.636 -8.562 6.453 1.00 1.00 C ATOM 1721 CG2 ILE A 116 67.079 -10.674 5.167 1.00 1.00 C ATOM 1722 CD1 ILE A 116 67.733 -7.908 5.605 1.00 1.00 C ATOM 0 H ILE A 116 66.210 -9.531 8.959 1.00 1.00 H new ATOM 0 HA ILE A 116 64.816 -10.456 6.748 1.00 1.00 H new ATOM 0 HB ILE A 116 67.808 -10.246 7.150 1.00 1.00 H new ATOM 0 HG12 ILE A 116 65.661 -8.389 5.998 1.00 1.00 H new ATOM 0 HG13 ILE A 116 66.611 -8.108 7.444 1.00 1.00 H new ATOM 0 HG21 ILE A 116 67.920 -10.191 4.669 1.00 1.00 H new ATOM 0 HG22 ILE A 116 67.272 -11.743 5.251 1.00 1.00 H new ATOM 0 HG23 ILE A 116 66.172 -10.514 4.584 1.00 1.00 H new ATOM 0 HD11 ILE A 116 67.541 -6.838 5.523 1.00 1.00 H new ATOM 0 HD12 ILE A 116 68.702 -8.067 6.078 1.00 1.00 H new ATOM 0 HD13 ILE A 116 67.737 -8.353 4.610 1.00 1.00 H new ATOM 1734 N GLU A 117 66.935 -12.625 8.020 1.00 1.00 N ATOM 1735 CA GLU A 117 67.264 -14.047 8.128 1.00 1.00 C ATOM 1736 C GLU A 117 66.008 -14.760 8.571 1.00 1.00 C ATOM 1737 O GLU A 117 65.598 -15.730 7.935 1.00 1.00 O ATOM 1738 CB GLU A 117 68.440 -14.405 9.041 1.00 1.00 C ATOM 1739 CG GLU A 117 69.748 -13.874 8.425 1.00 1.00 C ATOM 1740 CD GLU A 117 70.941 -14.639 8.983 1.00 1.00 C ATOM 1741 OE1 GLU A 117 70.730 -15.491 9.829 1.00 1.00 O ATOM 1742 OE2 GLU A 117 72.045 -14.374 8.542 1.00 1.00 O ATOM 0 H GLU A 117 67.563 -11.993 8.517 1.00 1.00 H new ATOM 0 HA GLU A 117 67.611 -14.367 7.146 1.00 1.00 H new ATOM 0 HB2 GLU A 117 68.290 -13.974 10.031 1.00 1.00 H new ATOM 0 HB3 GLU A 117 68.499 -15.486 9.170 1.00 1.00 H new ATOM 0 HG2 GLU A 117 69.716 -13.977 7.340 1.00 1.00 H new ATOM 0 HG3 GLU A 117 69.855 -12.811 8.641 1.00 1.00 H new ATOM 1749 N VAL A 118 65.358 -14.279 9.631 1.00 1.00 N ATOM 1750 CA VAL A 118 64.135 -14.910 10.065 1.00 1.00 C ATOM 1751 C VAL A 118 63.100 -14.865 8.948 1.00 1.00 C ATOM 1752 O VAL A 118 62.270 -15.772 8.874 1.00 1.00 O ATOM 1753 CB VAL A 118 63.600 -14.240 11.353 1.00 1.00 C ATOM 1754 CG1 VAL A 118 62.119 -14.579 11.576 1.00 1.00 C ATOM 1755 CG2 VAL A 118 64.413 -14.744 12.559 1.00 1.00 C ATOM 0 H VAL A 118 65.656 -13.476 10.185 1.00 1.00 H new ATOM 0 HA VAL A 118 64.341 -15.954 10.299 1.00 1.00 H new ATOM 0 HB VAL A 118 63.700 -13.160 11.247 1.00 1.00 H new ATOM 0 HG11 VAL A 118 61.768 -14.096 12.488 1.00 1.00 H new ATOM 0 HG12 VAL A 118 61.533 -14.224 10.728 1.00 1.00 H new ATOM 0 HG13 VAL A 118 62.003 -15.659 11.670 1.00 1.00 H new ATOM 0 HG21 VAL A 118 64.041 -14.275 13.470 1.00 1.00 H new ATOM 0 HG22 VAL A 118 64.311 -15.826 12.640 1.00 1.00 H new ATOM 0 HG23 VAL A 118 65.464 -14.488 12.422 1.00 1.00 H new ATOM 1765 N LEU A 119 63.117 -13.862 8.038 1.00 1.00 N ATOM 1766 CA LEU A 119 62.143 -13.869 6.955 1.00 1.00 C ATOM 1767 C LEU A 119 62.630 -14.873 5.905 1.00 1.00 C ATOM 1768 O LEU A 119 61.961 -15.872 5.656 1.00 1.00 O ATOM 1769 CB LEU A 119 62.057 -12.440 6.368 1.00 1.00 C ATOM 1770 CG LEU A 119 60.815 -12.256 5.439 1.00 1.00 C ATOM 1771 CD1 LEU A 119 60.130 -10.906 5.729 1.00 1.00 C ATOM 1772 CD2 LEU A 119 61.241 -12.262 3.961 1.00 1.00 C ATOM 0 H LEU A 119 63.768 -13.077 8.040 1.00 1.00 H new ATOM 0 HA LEU A 119 61.150 -14.160 7.298 1.00 1.00 H new ATOM 0 HB2 LEU A 119 62.009 -11.717 7.182 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.965 -12.226 5.804 1.00 1.00 H new ATOM 0 HG LEU A 119 60.129 -13.080 5.633 1.00 1.00 H new ATOM 0 HD11 LEU A 119 59.266 -10.789 5.075 1.00 1.00 H new ATOM 0 HD12 LEU A 119 59.805 -10.879 6.769 1.00 1.00 H new ATOM 0 HD13 LEU A 119 60.834 -10.094 5.548 1.00 1.00 H new ATOM 0 HD21 LEU A 119 60.363 -12.133 3.329 1.00 1.00 H new ATOM 0 HD22 LEU A 119 61.941 -11.446 3.781 1.00 1.00 H new ATOM 0 HD23 LEU A 119 61.722 -13.211 3.725 1.00 1.00 H new ATOM 1784 N GLY A 120 63.824 -14.642 5.301 1.00 1.00 N ATOM 1785 CA GLY A 120 64.320 -15.601 4.331 1.00 1.00 C ATOM 1786 C GLY A 120 64.588 -16.932 5.029 1.00 1.00 C ATOM 1787 O GLY A 120 63.762 -17.838 5.014 1.00 1.00 O ATOM 0 H GLY A 120 64.423 -13.834 5.470 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.592 -15.737 3.531 1.00 1.00 H new ATOM 0 HA3 GLY A 120 65.235 -15.229 3.869 1.00 1.00 H new ATOM 1791 N THR A 121 65.756 -16.989 5.647 1.00 1.00 N ATOM 1792 CA THR A 121 66.194 -18.175 6.401 1.00 1.00 C ATOM 1793 C THR A 121 67.689 -18.133 6.777 1.00 1.00 C ATOM 1794 O THR A 121 68.064 -18.606 7.847 1.00 1.00 O ATOM 1795 CB THR A 121 65.886 -19.487 5.599 1.00 1.00 C ATOM 1796 OG1 THR A 121 65.548 -19.169 4.258 1.00 1.00 O ATOM 1797 CG2 THR A 121 64.717 -20.266 6.234 1.00 1.00 C ATOM 0 H THR A 121 66.431 -16.225 5.647 1.00 1.00 H new ATOM 0 HA THR A 121 65.627 -18.171 7.332 1.00 1.00 H new ATOM 0 HB THR A 121 66.781 -20.108 5.623 1.00 1.00 H new ATOM 0 HG1 THR A 121 64.581 -19.027 4.189 1.00 1.00 H new ATOM 0 HG21 THR A 121 64.526 -21.171 5.657 1.00 1.00 H new ATOM 0 HG22 THR A 121 64.974 -20.537 7.258 1.00 1.00 H new ATOM 0 HG23 THR A 121 63.823 -19.642 6.237 1.00 1.00 H new ATOM 1805 N GLY A 122 68.544 -17.641 5.876 1.00 1.00 N ATOM 1806 CA GLY A 122 70.002 -17.636 6.119 1.00 1.00 C ATOM 1807 C GLY A 122 70.601 -18.770 5.296 1.00 1.00 C ATOM 1808 O GLY A 122 71.801 -18.843 5.039 1.00 1.00 O ATOM 0 H GLY A 122 68.263 -17.244 4.980 1.00 1.00 H new ATOM 0 HA2 GLY A 122 70.437 -16.679 5.829 1.00 1.00 H new ATOM 0 HA3 GLY A 122 70.216 -17.775 7.179 1.00 1.00 H new ATOM 1812 N THR A 123 69.669 -19.615 4.895 1.00 1.00 N ATOM 1813 CA THR A 123 70.002 -20.757 4.063 1.00 1.00 C ATOM 1814 C THR A 123 70.658 -20.163 2.796 1.00 1.00 C ATOM 1815 O THR A 123 70.045 -19.999 1.746 1.00 1.00 O ATOM 1816 CB THR A 123 68.743 -21.590 3.774 1.00 1.00 C ATOM 1817 OG1 THR A 123 69.084 -22.706 2.961 1.00 1.00 O ATOM 1818 CG2 THR A 123 67.687 -20.728 3.078 1.00 1.00 C ATOM 0 H THR A 123 68.680 -19.533 5.130 1.00 1.00 H new ATOM 0 HA THR A 123 70.691 -21.452 4.543 1.00 1.00 H new ATOM 0 HB THR A 123 68.329 -21.950 4.716 1.00 1.00 H new ATOM 0 HG1 THR A 123 68.280 -23.236 2.779 1.00 1.00 H new ATOM 0 HG21 THR A 123 66.800 -21.329 2.879 1.00 1.00 H new ATOM 0 HG22 THR A 123 67.420 -19.890 3.721 1.00 1.00 H new ATOM 0 HG23 THR A 123 68.088 -20.350 2.138 1.00 1.00 H new ATOM 1826 N ASP A 124 71.950 -19.859 2.974 1.00 1.00 N ATOM 1827 CA ASP A 124 72.808 -19.279 1.924 1.00 1.00 C ATOM 1828 C ASP A 124 74.291 -19.363 2.271 1.00 1.00 C ATOM 1829 O ASP A 124 74.662 -19.706 3.393 1.00 1.00 O ATOM 1830 CB ASP A 124 72.471 -17.801 1.713 1.00 1.00 C ATOM 1831 CG ASP A 124 71.013 -17.627 1.317 1.00 1.00 C ATOM 1832 OD1 ASP A 124 70.672 -18.005 0.209 1.00 1.00 O ATOM 1833 OD2 ASP A 124 70.257 -17.114 2.126 1.00 1.00 O ATOM 0 H ASP A 124 72.437 -20.009 3.858 1.00 1.00 H new ATOM 0 HA ASP A 124 72.616 -19.861 1.022 1.00 1.00 H new ATOM 0 HB2 ASP A 124 72.672 -17.244 2.628 1.00 1.00 H new ATOM 0 HB3 ASP A 124 73.114 -17.384 0.938 1.00 1.00 H new ATOM 1838 N TYR A 125 75.131 -18.959 1.314 1.00 1.00 N ATOM 1839 CA TYR A 125 76.577 -18.883 1.508 1.00 1.00 C ATOM 1840 C TYR A 125 77.085 -17.640 0.753 1.00 1.00 C ATOM 1841 O TYR A 125 76.668 -17.382 -0.376 1.00 1.00 O ATOM 1842 CB TYR A 125 77.270 -20.166 1.003 1.00 1.00 C ATOM 1843 CG TYR A 125 78.726 -19.883 0.677 1.00 1.00 C ATOM 1844 CD1 TYR A 125 79.593 -19.427 1.678 1.00 1.00 C ATOM 1845 CD2 TYR A 125 79.201 -20.061 -0.630 1.00 1.00 C ATOM 1846 CE1 TYR A 125 80.931 -19.148 1.374 1.00 1.00 C ATOM 1847 CE2 TYR A 125 80.539 -19.784 -0.933 1.00 1.00 C ATOM 1848 CZ TYR A 125 81.405 -19.327 0.068 1.00 1.00 C ATOM 1849 OH TYR A 125 82.723 -19.049 -0.233 1.00 1.00 O ATOM 0 H TYR A 125 74.825 -18.676 0.383 1.00 1.00 H new ATOM 0 HA TYR A 125 76.813 -18.798 2.569 1.00 1.00 H new ATOM 0 HB2 TYR A 125 77.205 -20.946 1.762 1.00 1.00 H new ATOM 0 HB3 TYR A 125 76.757 -20.540 0.117 1.00 1.00 H new ATOM 0 HD1 TYR A 125 79.229 -19.290 2.686 1.00 1.00 H new ATOM 0 HD2 TYR A 125 78.534 -20.412 -1.403 1.00 1.00 H new ATOM 0 HE1 TYR A 125 81.598 -18.795 2.147 1.00 1.00 H new ATOM 0 HE2 TYR A 125 80.904 -19.923 -1.940 1.00 1.00 H new ATOM 0 HH TYR A 125 82.887 -19.228 -1.183 1.00 1.00 H new ATOM 1859 N ARG A 126 78.008 -16.906 1.367 1.00 1.00 N ATOM 1860 CA ARG A 126 78.603 -15.722 0.738 1.00 1.00 C ATOM 1861 C ARG A 126 80.036 -15.524 1.233 1.00 1.00 C ATOM 1862 O ARG A 126 80.379 -15.936 2.342 1.00 1.00 O ATOM 1863 CB ARG A 126 77.760 -14.466 1.021 1.00 1.00 C ATOM 1864 CG ARG A 126 78.065 -13.376 -0.030 1.00 1.00 C ATOM 1865 CD ARG A 126 77.207 -13.586 -1.289 1.00 1.00 C ATOM 1866 NE ARG A 126 77.792 -12.875 -2.420 1.00 1.00 N ATOM 1867 CZ ARG A 126 77.320 -13.033 -3.653 1.00 1.00 C ATOM 1868 NH1 ARG A 126 76.293 -13.811 -3.865 1.00 1.00 N ATOM 1869 NH2 ARG A 126 77.880 -12.409 -4.652 1.00 1.00 N ATOM 0 H ARG A 126 78.364 -17.107 2.302 1.00 1.00 H new ATOM 0 HA ARG A 126 78.622 -15.881 -0.340 1.00 1.00 H new ATOM 0 HB2 ARG A 126 76.700 -14.717 0.999 1.00 1.00 H new ATOM 0 HB3 ARG A 126 77.978 -14.090 2.021 1.00 1.00 H new ATOM 0 HG2 ARG A 126 77.867 -12.391 0.392 1.00 1.00 H new ATOM 0 HG3 ARG A 126 79.122 -13.403 -0.294 1.00 1.00 H new ATOM 0 HD2 ARG A 126 77.135 -14.650 -1.516 1.00 1.00 H new ATOM 0 HD3 ARG A 126 76.193 -13.229 -1.111 1.00 1.00 H new ATOM 0 HE ARG A 126 78.578 -12.245 -2.262 1.00 1.00 H new ATOM 0 HH11 ARG A 126 75.852 -14.298 -3.085 1.00 1.00 H new ATOM 0 HH12 ARG A 126 75.931 -13.932 -4.811 1.00 1.00 H new ATOM 0 HH21 ARG A 126 78.681 -11.799 -4.488 1.00 1.00 H new ATOM 0 HH22 ARG A 126 77.517 -12.531 -5.597 1.00 1.00 H new ATOM 1883 N PHE A 127 80.870 -14.887 0.405 1.00 1.00 N ATOM 1884 CA PHE A 127 82.272 -14.631 0.760 1.00 1.00 C ATOM 1885 C PHE A 127 82.560 -13.130 0.780 1.00 1.00 C ATOM 1886 O PHE A 127 83.402 -12.718 1.561 1.00 1.00 O ATOM 1887 CB PHE A 127 83.198 -15.322 -0.249 1.00 1.00 C ATOM 1888 CG PHE A 127 83.121 -14.625 -1.591 1.00 1.00 C ATOM 1889 CD1 PHE A 127 82.007 -14.817 -2.420 1.00 1.00 C ATOM 1890 CD2 PHE A 127 84.164 -13.788 -2.008 1.00 1.00 C ATOM 1891 CE1 PHE A 127 81.941 -14.170 -3.663 1.00 1.00 C ATOM 1892 CE2 PHE A 127 84.096 -13.144 -3.251 1.00 1.00 C ATOM 1893 CZ PHE A 127 82.984 -13.336 -4.075 1.00 1.00 C ATOM 1894 OXT PHE A 127 81.931 -12.415 0.016 1.00 1.00 O ATOM 0 H PHE A 127 80.600 -14.539 -0.515 1.00 1.00 H new ATOM 0 HA PHE A 127 82.455 -15.033 1.757 1.00 1.00 H new ATOM 0 HB2 PHE A 127 84.224 -15.307 0.118 1.00 1.00 H new ATOM 0 HB3 PHE A 127 82.913 -16.369 -0.358 1.00 1.00 H new ATOM 0 HD1 PHE A 127 81.201 -15.462 -2.102 1.00 1.00 H new ATOM 0 HD2 PHE A 127 85.023 -13.639 -1.370 1.00 1.00 H new ATOM 0 HE1 PHE A 127 81.083 -14.317 -4.302 1.00 1.00 H new ATOM 0 HE2 PHE A 127 84.902 -12.500 -3.571 1.00 1.00 H new ATOM 0 HZ PHE A 127 82.930 -12.839 -5.032 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 66.740 3.823 -10.751 1.00 1.00 O HETATM 1906 N1 MTN A 128 66.290 4.130 -9.607 1.00 1.00 N HETATM 1907 C1 MTN A 128 65.113 3.467 -8.983 1.00 1.00 C HETATM 1908 C2 MTN A 128 65.046 4.195 -7.696 1.00 1.00 C HETATM 1909 C3 MTN A 128 65.981 5.111 -7.547 1.00 1.00 C HETATM 1910 C4 MTN A 128 66.147 5.976 -6.332 1.00 1.00 C HETATM 1911 S1 MTN A 128 65.028 5.574 -4.958 1.00 1.00 S HETATM 1912 C5 MTN A 128 66.902 5.199 -8.755 1.00 1.00 C HETATM 1913 C6 MTN A 128 66.920 6.586 -9.388 1.00 1.00 C HETATM 1914 C7 MTN A 128 68.312 4.767 -8.368 1.00 1.00 C HETATM 1915 C8 MTN A 128 63.824 3.634 -9.784 1.00 1.00 C HETATM 1916 C9 MTN A 128 65.403 2.010 -8.719 1.00 1.00 C HETATM 0 H93 MTN A 128 65.633 1.509 -9.659 1.00 1.00 H new HETATM 0 H92 MTN A 128 66.255 1.925 -8.044 1.00 1.00 H new HETATM 0 H91 MTN A 128 64.531 1.542 -8.263 1.00 1.00 H new HETATM 0 H83 MTN A 128 63.589 4.694 -9.878 1.00 1.00 H new HETATM 0 H82 MTN A 128 63.954 3.202 -10.776 1.00 1.00 H new HETATM 0 H81 MTN A 128 63.008 3.126 -9.270 1.00 1.00 H new HETATM 0 H73 MTN A 128 68.266 3.831 -7.811 1.00 1.00 H new HETATM 0 H72 MTN A 128 68.909 4.624 -9.269 1.00 1.00 H new HETATM 0 H71 MTN A 128 68.771 5.536 -7.747 1.00 1.00 H new HETATM 0 H63 MTN A 128 67.493 6.556 -10.315 1.00 1.00 H new HETATM 0 H62 MTN A 128 65.899 6.901 -9.603 1.00 1.00 H new HETATM 0 H61 MTN A 128 67.381 7.294 -8.699 1.00 1.00 H new HETATM 0 H42 MTN A 128 67.176 5.894 -5.981 1.00 1.00 H new HETATM 0 H41 MTN A 128 65.990 7.016 -6.618 1.00 1.00 H new HETATM 0 H2 MTN A 128 64.290 3.991 -6.938 1.00 1.00 H new HETATM 1932 O1 MTN A 129 71.643 -9.638 -4.650 1.00 1.00 O HETATM 1933 N1 MTN A 129 70.585 -8.955 -4.796 1.00 1.00 N HETATM 1934 C1 MTN A 129 70.238 -8.275 -6.059 1.00 1.00 C HETATM 1935 C2 MTN A 129 68.955 -7.643 -5.663 1.00 1.00 C HETATM 1936 C3 MTN A 129 68.601 -7.895 -4.411 1.00 1.00 C HETATM 1937 C4 MTN A 129 67.381 -7.350 -3.733 1.00 1.00 C HETATM 1938 S1 MTN A 129 67.694 -5.825 -2.800 1.00 1.00 S HETATM 1939 C5 MTN A 129 69.596 -8.781 -3.694 1.00 1.00 C HETATM 1940 C6 MTN A 129 70.153 -8.164 -2.411 1.00 1.00 C HETATM 1941 C7 MTN A 129 68.954 -10.147 -3.416 1.00 1.00 C HETATM 1942 C8 MTN A 129 71.277 -7.247 -6.494 1.00 1.00 C HETATM 1943 C9 MTN A 129 70.005 -9.308 -7.149 1.00 1.00 C HETATM 0 H93 MTN A 129 70.911 -9.896 -7.293 1.00 1.00 H new HETATM 0 H92 MTN A 129 69.187 -9.967 -6.857 1.00 1.00 H new HETATM 0 H91 MTN A 129 69.749 -8.803 -8.080 1.00 1.00 H new HETATM 0 H83 MTN A 129 71.375 -6.481 -5.725 1.00 1.00 H new HETATM 0 H82 MTN A 129 72.238 -7.740 -6.640 1.00 1.00 H new HETATM 0 H81 MTN A 129 70.961 -6.784 -7.429 1.00 1.00 H new HETATM 0 H73 MTN A 129 68.456 -10.505 -4.317 1.00 1.00 H new HETATM 0 H72 MTN A 129 69.725 -10.858 -3.121 1.00 1.00 H new HETATM 0 H71 MTN A 129 68.224 -10.049 -2.612 1.00 1.00 H new HETATM 0 H63 MTN A 129 70.947 -8.798 -2.017 1.00 1.00 H new HETATM 0 H62 MTN A 129 70.553 -7.174 -2.628 1.00 1.00 H new HETATM 0 H61 MTN A 129 69.356 -8.080 -1.672 1.00 1.00 H new HETATM 0 H42 MTN A 129 66.614 -7.157 -4.483 1.00 1.00 H new HETATM 0 H41 MTN A 129 66.983 -8.106 -3.056 1.00 1.00 H new HETATM 0 H2 MTN A 129 68.360 -7.029 -6.339 1.00 1.00 H new HETATM 1959 O1 MTN A 130 82.458 -9.969 4.297 1.00 1.00 O HETATM 1960 N1 MTN A 130 81.800 -8.908 4.504 1.00 1.00 N HETATM 1961 C1 MTN A 130 80.881 -8.742 5.650 1.00 1.00 C HETATM 1962 C2 MTN A 130 80.411 -7.360 5.401 1.00 1.00 C HETATM 1963 C3 MTN A 130 80.938 -6.807 4.323 1.00 1.00 C HETATM 1964 C4 MTN A 130 80.651 -5.424 3.842 1.00 1.00 C HETATM 1965 S1 MTN A 130 81.809 -4.190 4.470 1.00 1.00 S HETATM 1966 C5 MTN A 130 81.895 -7.730 3.604 1.00 1.00 C HETATM 1967 C6 MTN A 130 81.505 -8.003 2.151 1.00 1.00 C HETATM 1968 C7 MTN A 130 83.315 -7.183 3.695 1.00 1.00 C HETATM 1969 C8 MTN A 130 79.724 -9.739 5.631 1.00 1.00 C HETATM 1970 C9 MTN A 130 81.656 -8.826 6.957 1.00 1.00 C HETATM 0 H93 MTN A 130 82.145 -9.798 7.028 1.00 1.00 H new HETATM 0 H92 MTN A 130 82.409 -8.038 6.985 1.00 1.00 H new HETATM 0 H91 MTN A 130 80.970 -8.703 7.795 1.00 1.00 H new HETATM 0 H83 MTN A 130 79.144 -9.606 4.718 1.00 1.00 H new HETATM 0 H82 MTN A 130 80.118 -10.755 5.666 1.00 1.00 H new HETATM 0 H81 MTN A 130 79.083 -9.569 6.496 1.00 1.00 H new HETATM 0 H73 MTN A 130 83.527 -6.890 4.723 1.00 1.00 H new HETATM 0 H72 MTN A 130 84.022 -7.952 3.384 1.00 1.00 H new HETATM 0 H71 MTN A 130 83.413 -6.315 3.043 1.00 1.00 H new HETATM 0 H63 MTN A 130 82.160 -8.769 1.736 1.00 1.00 H new HETATM 0 H62 MTN A 130 80.472 -8.348 2.110 1.00 1.00 H new HETATM 0 H61 MTN A 130 81.605 -7.087 1.569 1.00 1.00 H new HETATM 0 H42 MTN A 130 80.677 -5.414 2.752 1.00 1.00 H new HETATM 0 H41 MTN A 130 79.640 -5.147 4.139 1.00 1.00 H new HETATM 0 H2 MTN A 130 79.698 -6.847 6.046 1.00 1.00 H new