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 121 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 123 THR OG1 : rot -125:sc= 0.126 USER MOD Set 2.1: A 49 ASN : amide:sc= -0.214 X(o=-0.25,f=-0.37) USER MOD Set 2.2: A 54 GLN : amide:sc= -0.0331 X(o=-0.25,f=-0.21) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.15) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.22 (180deg=-1.99) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -56:sc= 0.166 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.0566 (180deg=-0.527) USER MOD Single : A 38 HIS : no HD1:sc= -2.68! K(o=-2.7!,f=-1.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 72 HIS : no HD1:sc= -9.9! C(o=-9.9!,f=-6.5!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.1) USER MOD Single : A 92 HIS : no HE2:sc= -0.339 K(o=-0.3,f=-6.2!) USER MOD Single : A 99 GLN : amide:sc= -2.37 X(o=-2.4,f=-2.1) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= -1.35 K(o=-1.3,f=-4.9!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.446 22.376 -22.706 1.00 1.00 N ATOM 2 CA MET A 1 78.913 21.056 -23.210 1.00 1.00 C ATOM 3 C MET A 1 77.808 20.027 -22.982 1.00 1.00 C ATOM 4 O MET A 1 76.799 20.320 -22.342 1.00 1.00 O ATOM 5 CB MET A 1 80.177 20.648 -22.444 1.00 1.00 C ATOM 6 CG MET A 1 80.073 21.114 -20.983 1.00 1.00 C ATOM 7 SD MET A 1 80.685 22.818 -20.826 1.00 1.00 S ATOM 8 CE MET A 1 82.211 22.480 -19.905 1.00 1.00 C ATOM 0 H1 MET A 1 79.258 22.917 -22.347 1.00 1.00 H new ATOM 0 H2 MET A 1 77.994 22.903 -23.480 1.00 1.00 H new ATOM 0 H3 MET A 1 77.759 22.231 -21.938 1.00 1.00 H new ATOM 0 HA MET A 1 79.143 21.113 -24.274 1.00 1.00 H new ATOM 0 HB2 MET A 1 80.303 19.566 -22.482 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.056 21.088 -22.914 1.00 1.00 H new ATOM 0 HG2 MET A 1 79.037 21.059 -20.649 1.00 1.00 H new ATOM 0 HG3 MET A 1 80.651 20.451 -20.340 1.00 1.00 H new ATOM 0 HE1 MET A 1 82.803 23.393 -19.834 1.00 1.00 H new ATOM 0 HE2 MET A 1 81.961 22.131 -18.903 1.00 1.00 H new ATOM 0 HE3 MET A 1 82.787 21.713 -20.424 1.00 1.00 H new ATOM 18 N SER A 2 78.000 18.821 -23.509 1.00 1.00 N ATOM 19 CA SER A 2 77.012 17.756 -23.357 1.00 1.00 C ATOM 20 C SER A 2 77.253 16.952 -22.077 1.00 1.00 C ATOM 21 O SER A 2 76.496 16.031 -21.788 1.00 1.00 O ATOM 22 CB SER A 2 77.087 16.813 -24.558 1.00 1.00 C ATOM 23 OG SER A 2 78.343 16.145 -24.540 1.00 1.00 O ATOM 0 H SER A 2 78.828 18.557 -24.043 1.00 1.00 H new ATOM 0 HA SER A 2 76.026 18.217 -23.297 1.00 1.00 H new ATOM 0 HB2 SER A 2 76.274 16.088 -24.520 1.00 1.00 H new ATOM 0 HB3 SER A 2 76.971 17.374 -25.486 1.00 1.00 H new ATOM 0 HG SER A 2 78.401 15.536 -25.306 1.00 1.00 H new ATOM 29 N ASP A 3 78.284 17.331 -21.305 1.00 1.00 N ATOM 30 CA ASP A 3 78.597 16.643 -20.034 1.00 1.00 C ATOM 31 C ASP A 3 80.006 16.998 -19.541 1.00 1.00 C ATOM 32 O ASP A 3 81.000 16.688 -20.198 1.00 1.00 O ATOM 33 CB ASP A 3 78.490 15.110 -20.193 1.00 1.00 C ATOM 34 CG ASP A 3 79.204 14.389 -19.048 1.00 1.00 C ATOM 35 OD1 ASP A 3 78.562 14.139 -18.043 1.00 1.00 O ATOM 36 OD2 ASP A 3 80.383 14.108 -19.194 1.00 1.00 O ATOM 0 H ASP A 3 78.912 18.102 -21.532 1.00 1.00 H new ATOM 0 HA ASP A 3 77.867 16.982 -19.299 1.00 1.00 H new ATOM 0 HB2 ASP A 3 77.441 14.815 -20.215 1.00 1.00 H new ATOM 0 HB3 ASP A 3 78.926 14.808 -21.145 1.00 1.00 H new ATOM 41 N PHE A 4 80.084 17.608 -18.360 1.00 1.00 N ATOM 42 CA PHE A 4 81.375 17.959 -17.762 1.00 1.00 C ATOM 43 C PHE A 4 81.264 17.975 -16.246 1.00 1.00 C ATOM 44 O PHE A 4 80.214 18.296 -15.689 1.00 1.00 O ATOM 45 CB PHE A 4 81.849 19.325 -18.260 1.00 1.00 C ATOM 46 CG PHE A 4 83.023 19.804 -17.433 1.00 1.00 C ATOM 47 CD1 PHE A 4 84.314 19.355 -17.726 1.00 1.00 C ATOM 48 CD2 PHE A 4 82.812 20.698 -16.377 1.00 1.00 C ATOM 49 CE1 PHE A 4 85.398 19.800 -16.961 1.00 1.00 C ATOM 50 CE2 PHE A 4 83.896 21.143 -15.611 1.00 1.00 C ATOM 51 CZ PHE A 4 85.189 20.693 -15.904 1.00 1.00 C ATOM 0 H PHE A 4 79.274 17.869 -17.799 1.00 1.00 H new ATOM 0 HA PHE A 4 82.105 17.206 -18.061 1.00 1.00 H new ATOM 0 HB2 PHE A 4 82.137 19.258 -19.309 1.00 1.00 H new ATOM 0 HB3 PHE A 4 81.033 20.046 -18.199 1.00 1.00 H new ATOM 0 HD1 PHE A 4 84.475 18.666 -18.542 1.00 1.00 H new ATOM 0 HD2 PHE A 4 81.814 21.044 -16.153 1.00 1.00 H new ATOM 0 HE1 PHE A 4 86.396 19.454 -17.186 1.00 1.00 H new ATOM 0 HE2 PHE A 4 83.735 21.832 -14.795 1.00 1.00 H new ATOM 0 HZ PHE A 4 86.026 21.035 -15.314 1.00 1.00 H new ATOM 61 N ASP A 5 82.363 17.630 -15.587 1.00 1.00 N ATOM 62 CA ASP A 5 82.403 17.606 -14.135 1.00 1.00 C ATOM 63 C ASP A 5 83.826 17.860 -13.654 1.00 1.00 C ATOM 64 O ASP A 5 84.795 17.491 -14.319 1.00 1.00 O ATOM 65 CB ASP A 5 81.914 16.245 -13.637 1.00 1.00 C ATOM 66 CG ASP A 5 80.491 15.997 -14.132 1.00 1.00 C ATOM 67 OD1 ASP A 5 79.586 16.633 -13.616 1.00 1.00 O ATOM 68 OD2 ASP A 5 80.328 15.175 -15.018 1.00 1.00 O ATOM 0 H ASP A 5 83.238 17.363 -16.038 1.00 1.00 H new ATOM 0 HA ASP A 5 81.754 18.387 -13.739 1.00 1.00 H new ATOM 0 HB2 ASP A 5 82.576 15.457 -13.995 1.00 1.00 H new ATOM 0 HB3 ASP A 5 81.941 16.214 -12.548 1.00 1.00 H new ATOM 73 N THR A 6 83.949 18.496 -12.499 1.00 1.00 N ATOM 74 CA THR A 6 85.254 18.808 -11.916 1.00 1.00 C ATOM 75 C THR A 6 85.520 17.895 -10.726 1.00 1.00 C ATOM 76 O THR A 6 84.812 16.951 -10.484 1.00 1.00 O ATOM 77 CB THR A 6 85.287 20.292 -11.477 1.00 1.00 C ATOM 78 OG1 THR A 6 84.261 20.996 -12.160 1.00 1.00 O ATOM 79 CG2 THR A 6 86.646 20.927 -11.814 1.00 1.00 C ATOM 0 H THR A 6 83.156 18.810 -11.939 1.00 1.00 H new ATOM 0 HA THR A 6 86.033 18.645 -12.661 1.00 1.00 H new ATOM 0 HB THR A 6 85.134 20.346 -10.399 1.00 1.00 H new ATOM 0 HG1 THR A 6 84.376 20.885 -13.127 1.00 1.00 H new ATOM 0 HG21 THR A 6 86.649 21.970 -11.497 1.00 1.00 H new ATOM 0 HG22 THR A 6 87.438 20.388 -11.294 1.00 1.00 H new ATOM 0 HG23 THR A 6 86.816 20.874 -12.889 1.00 1.00 H new ATOM 87 N GLU A 7 86.532 18.208 -9.977 1.00 1.00 N ATOM 88 CA GLU A 7 86.881 17.423 -8.819 1.00 1.00 C ATOM 89 C GLU A 7 85.705 17.367 -7.878 1.00 1.00 C ATOM 90 O GLU A 7 85.341 16.309 -7.403 1.00 1.00 O ATOM 91 CB GLU A 7 88.091 18.036 -8.101 1.00 1.00 C ATOM 92 CG GLU A 7 89.324 17.941 -9.005 1.00 1.00 C ATOM 93 CD GLU A 7 89.720 16.481 -9.215 1.00 1.00 C ATOM 94 OE1 GLU A 7 89.906 15.789 -8.228 1.00 1.00 O ATOM 95 OE2 GLU A 7 89.831 16.079 -10.361 1.00 1.00 O ATOM 0 H GLU A 7 87.141 19.009 -10.144 1.00 1.00 H new ATOM 0 HA GLU A 7 87.141 16.415 -9.141 1.00 1.00 H new ATOM 0 HB2 GLU A 7 87.890 19.078 -7.851 1.00 1.00 H new ATOM 0 HB3 GLU A 7 88.274 17.513 -7.162 1.00 1.00 H new ATOM 0 HG2 GLU A 7 89.114 18.409 -9.967 1.00 1.00 H new ATOM 0 HG3 GLU A 7 90.154 18.489 -8.558 1.00 1.00 H new ATOM 102 N ARG A 8 85.086 18.499 -7.618 1.00 1.00 N ATOM 103 CA ARG A 8 83.948 18.446 -6.719 1.00 1.00 C ATOM 104 C ARG A 8 82.819 17.663 -7.371 1.00 1.00 C ATOM 105 O ARG A 8 82.399 16.627 -6.898 1.00 1.00 O ATOM 106 CB ARG A 8 83.449 19.857 -6.414 1.00 1.00 C ATOM 107 CG ARG A 8 84.640 20.741 -6.068 1.00 1.00 C ATOM 108 CD ARG A 8 84.169 22.142 -5.655 1.00 1.00 C ATOM 109 NE ARG A 8 85.183 23.124 -6.011 1.00 1.00 N ATOM 110 CZ ARG A 8 85.313 23.538 -7.268 1.00 1.00 C ATOM 111 NH1 ARG A 8 84.542 23.041 -8.196 1.00 1.00 N ATOM 112 NH2 ARG A 8 86.212 24.434 -7.577 1.00 1.00 N ATOM 0 H ARG A 8 85.329 19.417 -7.989 1.00 1.00 H new ATOM 0 HA ARG A 8 84.259 17.960 -5.794 1.00 1.00 H new ATOM 0 HB2 ARG A 8 82.917 20.262 -7.275 1.00 1.00 H new ATOM 0 HB3 ARG A 8 82.743 19.835 -5.584 1.00 1.00 H new ATOM 0 HG2 ARG A 8 85.212 20.290 -5.257 1.00 1.00 H new ATOM 0 HG3 ARG A 8 85.308 20.814 -6.927 1.00 1.00 H new ATOM 0 HD2 ARG A 8 83.228 22.381 -6.150 1.00 1.00 H new ATOM 0 HD3 ARG A 8 83.981 22.172 -4.582 1.00 1.00 H new ATOM 0 HE ARG A 8 85.799 23.498 -5.290 1.00 1.00 H new ATOM 0 HH11 ARG A 8 83.843 22.338 -7.956 1.00 1.00 H new ATOM 0 HH12 ARG A 8 84.638 23.356 -9.161 1.00 1.00 H new ATOM 0 HH21 ARG A 8 86.818 24.819 -6.853 1.00 1.00 H new ATOM 0 HH22 ARG A 8 86.308 24.748 -8.543 1.00 1.00 H new ATOM 126 N VAL A 9 82.361 18.183 -8.482 1.00 1.00 N ATOM 127 CA VAL A 9 81.271 17.531 -9.203 1.00 1.00 C ATOM 128 C VAL A 9 81.690 16.116 -9.664 1.00 1.00 C ATOM 129 O VAL A 9 81.036 15.159 -9.338 1.00 1.00 O ATOM 130 CB VAL A 9 80.776 18.400 -10.404 1.00 1.00 C ATOM 131 CG1 VAL A 9 79.414 19.038 -10.077 1.00 1.00 C ATOM 132 CG2 VAL A 9 81.788 19.527 -10.707 1.00 1.00 C ATOM 0 H VAL A 9 82.711 19.040 -8.910 1.00 1.00 H new ATOM 0 HA VAL A 9 80.431 17.426 -8.516 1.00 1.00 H new ATOM 0 HB VAL A 9 80.680 17.749 -11.273 1.00 1.00 H new ATOM 0 HG11 VAL A 9 79.082 19.640 -10.923 1.00 1.00 H new ATOM 0 HG12 VAL A 9 78.683 18.254 -9.881 1.00 1.00 H new ATOM 0 HG13 VAL A 9 79.511 19.672 -9.196 1.00 1.00 H new ATOM 0 HG21 VAL A 9 81.429 20.123 -11.546 1.00 1.00 H new ATOM 0 HG22 VAL A 9 81.897 20.164 -9.829 1.00 1.00 H new ATOM 0 HG23 VAL A 9 82.754 19.090 -10.960 1.00 1.00 H new ATOM 142 N SER A 10 82.810 15.998 -10.356 1.00 1.00 N ATOM 143 CA SER A 10 83.291 14.663 -10.810 1.00 1.00 C ATOM 144 C SER A 10 83.666 13.768 -9.629 1.00 1.00 C ATOM 145 O SER A 10 83.156 12.679 -9.494 1.00 1.00 O ATOM 146 CB SER A 10 84.532 14.788 -11.721 1.00 1.00 C ATOM 147 OG SER A 10 84.672 13.601 -12.480 1.00 1.00 O ATOM 0 H SER A 10 83.407 16.781 -10.622 1.00 1.00 H new ATOM 0 HA SER A 10 82.465 14.218 -11.365 1.00 1.00 H new ATOM 0 HB2 SER A 10 84.427 15.647 -12.383 1.00 1.00 H new ATOM 0 HB3 SER A 10 85.425 14.957 -11.119 1.00 1.00 H new ATOM 0 HG SER A 10 85.457 13.675 -13.062 1.00 1.00 H new ATOM 153 N ARG A 11 84.632 14.173 -8.842 1.00 1.00 N ATOM 154 CA ARG A 11 85.102 13.316 -7.748 1.00 1.00 C ATOM 155 C ARG A 11 83.954 13.071 -6.757 1.00 1.00 C ATOM 156 O ARG A 11 83.699 11.938 -6.362 1.00 1.00 O ATOM 157 CB ARG A 11 86.330 13.951 -7.045 1.00 1.00 C ATOM 158 CG ARG A 11 87.310 12.878 -6.527 1.00 1.00 C ATOM 159 CD ARG A 11 88.549 13.571 -5.919 1.00 1.00 C ATOM 160 NE ARG A 11 89.599 12.596 -5.604 1.00 1.00 N ATOM 161 CZ ARG A 11 90.683 12.941 -4.903 1.00 1.00 C ATOM 162 NH1 ARG A 11 90.833 14.166 -4.470 1.00 1.00 N ATOM 163 NH2 ARG A 11 91.603 12.047 -4.654 1.00 1.00 N ATOM 0 H ARG A 11 85.109 15.071 -8.924 1.00 1.00 H new ATOM 0 HA ARG A 11 85.420 12.356 -8.154 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.848 14.610 -7.742 1.00 1.00 H new ATOM 0 HB3 ARG A 11 85.993 14.569 -6.212 1.00 1.00 H new ATOM 0 HG2 ARG A 11 86.822 12.255 -5.777 1.00 1.00 H new ATOM 0 HG3 ARG A 11 87.610 12.219 -7.342 1.00 1.00 H new ATOM 0 HD2 ARG A 11 88.935 14.312 -6.619 1.00 1.00 H new ATOM 0 HD3 ARG A 11 88.262 14.106 -5.014 1.00 1.00 H new ATOM 0 HE ARG A 11 89.499 11.634 -5.927 1.00 1.00 H new ATOM 0 HH11 ARG A 11 90.119 14.867 -4.667 1.00 1.00 H new ATOM 0 HH12 ARG A 11 91.664 14.420 -3.936 1.00 1.00 H new ATOM 0 HH21 ARG A 11 91.491 11.092 -4.994 1.00 1.00 H new ATOM 0 HH22 ARG A 11 92.433 12.304 -4.119 1.00 1.00 H new ATOM 177 N ALA A 12 83.215 14.137 -6.428 1.00 1.00 N ATOM 178 CA ALA A 12 82.053 13.950 -5.535 1.00 1.00 C ATOM 179 C ALA A 12 80.968 13.199 -6.281 1.00 1.00 C ATOM 180 O ALA A 12 80.514 12.150 -5.826 1.00 1.00 O ATOM 181 CB ALA A 12 81.428 15.248 -4.984 1.00 1.00 C ATOM 0 H ALA A 12 83.382 15.092 -6.744 1.00 1.00 H new ATOM 0 HA ALA A 12 82.441 13.401 -4.677 1.00 1.00 H new ATOM 0 HB1 ALA A 12 80.584 15.001 -4.341 1.00 1.00 H new ATOM 0 HB2 ALA A 12 82.174 15.795 -4.409 1.00 1.00 H new ATOM 0 HB3 ALA A 12 81.084 15.866 -5.813 1.00 1.00 H new ATOM 187 N VAL A 13 80.534 13.740 -7.433 1.00 1.00 N ATOM 188 CA VAL A 13 79.475 13.044 -8.144 1.00 1.00 C ATOM 189 C VAL A 13 79.996 11.689 -8.512 1.00 1.00 C ATOM 190 O VAL A 13 79.421 10.707 -8.158 1.00 1.00 O ATOM 191 CB VAL A 13 78.964 13.748 -9.436 1.00 1.00 C ATOM 192 CG1 VAL A 13 77.812 12.939 -10.066 1.00 1.00 C ATOM 193 CG2 VAL A 13 78.471 15.178 -9.103 1.00 1.00 C ATOM 0 H VAL A 13 80.879 14.599 -7.861 1.00 1.00 H new ATOM 0 HA VAL A 13 78.617 13.014 -7.472 1.00 1.00 H new ATOM 0 HB VAL A 13 79.788 13.808 -10.147 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.465 13.443 -10.968 1.00 1.00 H new ATOM 0 HG12 VAL A 13 78.166 11.940 -10.321 1.00 1.00 H new ATOM 0 HG13 VAL A 13 76.990 12.862 -9.354 1.00 1.00 H new ATOM 0 HG21 VAL A 13 78.116 15.662 -10.013 1.00 1.00 H new ATOM 0 HG22 VAL A 13 77.657 15.123 -8.380 1.00 1.00 H new ATOM 0 HG23 VAL A 13 79.293 15.757 -8.681 1.00 1.00 H new ATOM 203 N ALA A 14 81.125 11.604 -9.167 1.00 1.00 N ATOM 204 CA ALA A 14 81.574 10.257 -9.498 1.00 1.00 C ATOM 205 C ALA A 14 81.852 9.431 -8.254 1.00 1.00 C ATOM 206 O ALA A 14 81.171 8.456 -8.022 1.00 1.00 O ATOM 207 CB ALA A 14 82.848 10.246 -10.360 1.00 1.00 C ATOM 0 H ALA A 14 81.718 12.378 -9.467 1.00 1.00 H new ATOM 0 HA ALA A 14 80.752 9.821 -10.066 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.134 9.216 -10.574 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.659 10.772 -11.296 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.656 10.742 -9.822 1.00 1.00 H new ATOM 213 N ALA A 15 82.851 9.820 -7.473 1.00 1.00 N ATOM 214 CA ALA A 15 83.185 8.993 -6.303 1.00 1.00 C ATOM 215 C ALA A 15 81.973 8.782 -5.402 1.00 1.00 C ATOM 216 O ALA A 15 81.611 7.661 -5.097 1.00 1.00 O ATOM 217 CB ALA A 15 84.347 9.564 -5.473 1.00 1.00 C ATOM 0 H ALA A 15 83.422 10.655 -7.608 1.00 1.00 H new ATOM 0 HA ALA A 15 83.506 8.033 -6.708 1.00 1.00 H new ATOM 0 HB1 ALA A 15 84.545 8.909 -4.625 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.240 9.632 -6.095 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.081 10.557 -5.110 1.00 1.00 H new ATOM 223 N ALA A 16 81.369 9.852 -4.973 1.00 1.00 N ATOM 224 CA ALA A 16 80.221 9.691 -4.078 1.00 1.00 C ATOM 225 C ALA A 16 79.051 9.002 -4.807 1.00 1.00 C ATOM 226 O ALA A 16 78.591 7.933 -4.408 1.00 1.00 O ATOM 227 CB ALA A 16 79.775 11.058 -3.540 1.00 1.00 C ATOM 0 H ALA A 16 81.624 10.812 -5.205 1.00 1.00 H new ATOM 0 HA ALA A 16 80.524 9.061 -3.242 1.00 1.00 H new ATOM 0 HB1 ALA A 16 78.921 10.927 -2.876 1.00 1.00 H new ATOM 0 HB2 ALA A 16 80.596 11.518 -2.989 1.00 1.00 H new ATOM 0 HB3 ALA A 16 79.491 11.702 -4.373 1.00 1.00 H new ATOM 233 N LEU A 17 78.603 9.629 -5.891 1.00 1.00 N ATOM 234 CA LEU A 17 77.464 9.053 -6.658 1.00 1.00 C ATOM 235 C LEU A 17 77.799 7.611 -7.012 1.00 1.00 C ATOM 236 O LEU A 17 77.034 6.698 -6.704 1.00 1.00 O ATOM 237 CB LEU A 17 77.170 9.821 -7.963 1.00 1.00 C ATOM 238 CG LEU A 17 75.772 9.503 -8.536 1.00 1.00 C ATOM 239 CD1 LEU A 17 74.710 10.428 -7.921 1.00 1.00 C ATOM 240 CD2 LEU A 17 75.791 9.739 -10.059 1.00 1.00 C ATOM 0 H LEU A 17 78.981 10.501 -6.260 1.00 1.00 H new ATOM 0 HA LEU A 17 76.577 9.123 -6.029 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.247 10.892 -7.775 1.00 1.00 H new ATOM 0 HB3 LEU A 17 77.928 9.572 -8.705 1.00 1.00 H new ATOM 0 HG LEU A 17 75.528 8.467 -8.302 1.00 1.00 H new ATOM 0 HD11 LEU A 17 73.732 10.187 -8.338 1.00 1.00 H new ATOM 0 HD12 LEU A 17 74.688 10.288 -6.840 1.00 1.00 H new ATOM 0 HD13 LEU A 17 74.956 11.465 -8.148 1.00 1.00 H new ATOM 0 HD21 LEU A 17 74.808 9.517 -10.474 1.00 1.00 H new ATOM 0 HD22 LEU A 17 76.045 10.779 -10.263 1.00 1.00 H new ATOM 0 HD23 LEU A 17 76.534 9.088 -10.519 1.00 1.00 H new ATOM 252 N VAL A 18 78.943 7.401 -7.675 1.00 1.00 N ATOM 253 CA VAL A 18 79.305 6.034 -8.048 1.00 1.00 C ATOM 254 C VAL A 18 79.699 5.229 -6.828 1.00 1.00 C ATOM 255 O VAL A 18 79.084 4.213 -6.532 1.00 1.00 O ATOM 256 CB VAL A 18 80.410 5.971 -9.173 1.00 1.00 C ATOM 257 CG1 VAL A 18 80.127 7.054 -10.247 1.00 1.00 C ATOM 258 CG2 VAL A 18 81.896 6.115 -8.665 1.00 1.00 C ATOM 0 H VAL A 18 79.605 8.125 -7.953 1.00 1.00 H new ATOM 0 HA VAL A 18 78.414 5.580 -8.483 1.00 1.00 H new ATOM 0 HB VAL A 18 80.338 4.966 -9.588 1.00 1.00 H new ATOM 0 HG11 VAL A 18 80.892 7.007 -11.022 1.00 1.00 H new ATOM 0 HG12 VAL A 18 79.148 6.877 -10.693 1.00 1.00 H new ATOM 0 HG13 VAL A 18 80.141 8.040 -9.782 1.00 1.00 H new ATOM 0 HG21 VAL A 18 82.578 6.059 -9.514 1.00 1.00 H new ATOM 0 HG22 VAL A 18 82.018 7.076 -8.165 1.00 1.00 H new ATOM 0 HG23 VAL A 18 82.121 5.310 -7.965 1.00 1.00 H new ATOM 268 N GLY A 19 80.728 5.672 -6.142 1.00 1.00 N ATOM 269 CA GLY A 19 81.237 4.959 -5.002 1.00 1.00 C ATOM 270 C GLY A 19 80.181 4.678 -3.955 1.00 1.00 C ATOM 271 O GLY A 19 78.977 4.728 -4.222 1.00 1.00 O ATOM 0 H GLY A 19 81.231 6.532 -6.360 1.00 1.00 H new ATOM 0 HA2 GLY A 19 81.669 4.016 -5.335 1.00 1.00 H new ATOM 0 HA3 GLY A 19 82.043 5.537 -4.550 1.00 1.00 H new ATOM 275 N PRO A 20 80.620 4.349 -2.774 1.00 1.00 N ATOM 276 CA PRO A 20 79.720 4.031 -1.669 1.00 1.00 C ATOM 277 C PRO A 20 79.179 5.287 -1.005 1.00 1.00 C ATOM 278 O PRO A 20 78.162 5.230 -0.364 1.00 1.00 O ATOM 279 CB PRO A 20 80.596 3.174 -0.743 1.00 1.00 C ATOM 280 CG PRO A 20 81.981 3.708 -0.926 1.00 1.00 C ATOM 281 CD PRO A 20 82.036 4.277 -2.350 1.00 1.00 C ATOM 0 HA PRO A 20 78.817 3.503 -1.976 1.00 1.00 H new ATOM 0 HB2 PRO A 20 80.274 3.257 0.295 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.540 2.119 -1.011 1.00 1.00 H new ATOM 0 HG2 PRO A 20 82.201 4.481 -0.189 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.723 2.920 -0.793 1.00 1.00 H new ATOM 0 HD2 PRO A 20 82.506 5.260 -2.367 1.00 1.00 H new ATOM 0 HD3 PRO A 20 82.617 3.635 -3.012 1.00 1.00 H new ATOM 289 N GLY A 21 79.891 6.418 -1.099 1.00 1.00 N ATOM 290 CA GLY A 21 79.406 7.617 -0.401 1.00 1.00 C ATOM 291 C GLY A 21 78.049 8.048 -0.934 1.00 1.00 C ATOM 292 O GLY A 21 77.060 8.091 -0.208 1.00 1.00 O ATOM 0 H GLY A 21 80.760 6.529 -1.622 1.00 1.00 H new ATOM 0 HA2 GLY A 21 79.333 7.415 0.668 1.00 1.00 H new ATOM 0 HA3 GLY A 21 80.123 8.429 -0.524 1.00 1.00 H new ATOM 296 N GLY A 22 78.001 8.366 -2.198 1.00 1.00 N ATOM 297 CA GLY A 22 76.703 8.767 -2.758 1.00 1.00 C ATOM 298 C GLY A 22 75.761 7.585 -2.585 1.00 1.00 C ATOM 299 O GLY A 22 74.643 7.732 -2.092 1.00 1.00 O ATOM 0 H GLY A 22 78.789 8.363 -2.845 1.00 1.00 H new ATOM 0 HA2 GLY A 22 76.316 9.647 -2.244 1.00 1.00 H new ATOM 0 HA3 GLY A 22 76.802 9.031 -3.811 1.00 1.00 H new ATOM 303 N VAL A 23 76.213 6.411 -3.011 1.00 1.00 N ATOM 304 CA VAL A 23 75.350 5.229 -2.879 1.00 1.00 C ATOM 305 C VAL A 23 75.005 5.056 -1.388 1.00 1.00 C ATOM 306 O VAL A 23 73.904 4.640 -1.048 1.00 1.00 O ATOM 307 CB VAL A 23 75.978 3.947 -3.450 1.00 1.00 C ATOM 308 CG1 VAL A 23 75.014 2.780 -3.241 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.227 4.093 -4.960 1.00 1.00 C ATOM 0 H VAL A 23 77.127 6.247 -3.433 1.00 1.00 H new ATOM 0 HA VAL A 23 74.449 5.394 -3.470 1.00 1.00 H new ATOM 0 HB VAL A 23 76.924 3.769 -2.939 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.454 1.868 -3.644 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.824 2.651 -2.175 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.075 2.987 -3.754 1.00 1.00 H new ATOM 0 HG21 VAL A 23 76.672 3.176 -5.346 1.00 1.00 H new ATOM 0 HG22 VAL A 23 75.281 4.279 -5.468 1.00 1.00 H new ATOM 0 HG23 VAL A 23 76.905 4.928 -5.138 1.00 1.00 H new ATOM 319 N ALA A 24 75.956 5.406 -0.505 1.00 1.00 N ATOM 320 CA ALA A 24 75.670 5.272 0.929 1.00 1.00 C ATOM 321 C ALA A 24 74.504 6.165 1.294 1.00 1.00 C ATOM 322 O ALA A 24 73.494 5.685 1.793 1.00 1.00 O ATOM 323 CB ALA A 24 76.848 5.677 1.833 1.00 1.00 C ATOM 0 H ALA A 24 76.881 5.765 -0.742 1.00 1.00 H new ATOM 0 HA ALA A 24 75.458 4.216 1.095 1.00 1.00 H new ATOM 0 HB1 ALA A 24 76.564 5.552 2.878 1.00 1.00 H new ATOM 0 HB2 ALA A 24 77.709 5.046 1.613 1.00 1.00 H new ATOM 0 HB3 ALA A 24 77.106 6.720 1.649 1.00 1.00 H new ATOM 329 N LEU A 25 74.662 7.472 1.101 1.00 1.00 N ATOM 330 CA LEU A 25 73.610 8.388 1.502 1.00 1.00 C ATOM 331 C LEU A 25 72.333 8.081 0.762 1.00 1.00 C ATOM 332 O LEU A 25 71.264 8.080 1.361 1.00 1.00 O ATOM 333 CB LEU A 25 73.996 9.843 1.240 1.00 1.00 C ATOM 334 CG LEU A 25 75.327 10.183 1.916 1.00 1.00 C ATOM 335 CD1 LEU A 25 75.737 11.587 1.482 1.00 1.00 C ATOM 336 CD2 LEU A 25 75.171 10.147 3.450 1.00 1.00 C ATOM 0 H LEU A 25 75.484 7.907 0.682 1.00 1.00 H new ATOM 0 HA LEU A 25 73.461 8.254 2.573 1.00 1.00 H new ATOM 0 HB2 LEU A 25 74.074 10.016 0.167 1.00 1.00 H new ATOM 0 HB3 LEU A 25 73.214 10.504 1.613 1.00 1.00 H new ATOM 0 HG LEU A 25 76.084 9.455 1.626 1.00 1.00 H new ATOM 0 HD11 LEU A 25 76.684 11.851 1.952 1.00 1.00 H new ATOM 0 HD12 LEU A 25 75.850 11.614 0.398 1.00 1.00 H new ATOM 0 HD13 LEU A 25 74.970 12.300 1.785 1.00 1.00 H new ATOM 0 HD21 LEU A 25 76.125 10.391 3.919 1.00 1.00 H new ATOM 0 HD22 LEU A 25 74.420 10.875 3.757 1.00 1.00 H new ATOM 0 HD23 LEU A 25 74.858 9.150 3.761 1.00 1.00 H new ATOM 348 N VAL A 26 72.425 7.861 -0.543 1.00 1.00 N ATOM 349 CA VAL A 26 71.221 7.599 -1.305 1.00 1.00 C ATOM 350 C VAL A 26 70.531 6.358 -0.762 1.00 1.00 C ATOM 351 O VAL A 26 69.373 6.419 -0.353 1.00 1.00 O ATOM 352 CB VAL A 26 71.623 7.379 -2.766 1.00 1.00 C ATOM 353 CG1 VAL A 26 70.434 6.849 -3.572 1.00 1.00 C ATOM 354 CG2 VAL A 26 72.109 8.708 -3.354 1.00 1.00 C ATOM 0 H VAL A 26 73.293 7.859 -1.078 1.00 1.00 H new ATOM 0 HA VAL A 26 70.531 8.439 -1.228 1.00 1.00 H new ATOM 0 HB VAL A 26 72.424 6.641 -2.815 1.00 1.00 H new ATOM 0 HG11 VAL A 26 70.736 6.698 -4.608 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.101 5.901 -3.149 1.00 1.00 H new ATOM 0 HG13 VAL A 26 69.618 7.570 -3.533 1.00 1.00 H new ATOM 0 HG21 VAL A 26 72.398 8.561 -4.395 1.00 1.00 H new ATOM 0 HG22 VAL A 26 71.307 9.445 -3.300 1.00 1.00 H new ATOM 0 HG23 VAL A 26 72.968 9.065 -2.786 1.00 1.00 H new ATOM 364 N VAL A 27 71.221 5.223 -0.797 1.00 1.00 N ATOM 365 CA VAL A 27 70.620 3.977 -0.341 1.00 1.00 C ATOM 366 C VAL A 27 70.182 4.096 1.105 1.00 1.00 C ATOM 367 O VAL A 27 69.136 3.582 1.491 1.00 1.00 O ATOM 368 CB VAL A 27 71.612 2.815 -0.500 1.00 1.00 C ATOM 369 CG1 VAL A 27 71.059 1.560 0.179 1.00 1.00 C ATOM 370 CG2 VAL A 27 71.814 2.529 -1.992 1.00 1.00 C ATOM 0 H VAL A 27 72.181 5.140 -1.131 1.00 1.00 H new ATOM 0 HA VAL A 27 69.742 3.774 -0.954 1.00 1.00 H new ATOM 0 HB VAL A 27 72.561 3.086 -0.038 1.00 1.00 H new ATOM 0 HG11 VAL A 27 71.768 0.741 0.062 1.00 1.00 H new ATOM 0 HG12 VAL A 27 70.905 1.758 1.240 1.00 1.00 H new ATOM 0 HG13 VAL A 27 70.109 1.286 -0.280 1.00 1.00 H new ATOM 0 HG21 VAL A 27 72.517 1.705 -2.113 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.859 2.260 -2.443 1.00 1.00 H new ATOM 0 HG23 VAL A 27 72.210 3.418 -2.483 1.00 1.00 H new ATOM 380 N LYS A 28 70.992 4.744 1.912 1.00 1.00 N ATOM 381 CA LYS A 28 70.659 4.876 3.311 1.00 1.00 C ATOM 382 C LYS A 28 69.420 5.749 3.467 1.00 1.00 C ATOM 383 O LYS A 28 68.454 5.370 4.123 1.00 1.00 O ATOM 384 CB LYS A 28 71.848 5.495 4.029 1.00 1.00 C ATOM 385 CG LYS A 28 71.615 5.520 5.537 1.00 1.00 C ATOM 386 CD LYS A 28 72.921 5.974 6.246 1.00 1.00 C ATOM 387 CE LYS A 28 72.633 7.115 7.224 1.00 1.00 C ATOM 388 NZ LYS A 28 72.128 8.297 6.469 1.00 1.00 N ATOM 0 H LYS A 28 71.870 5.180 1.630 1.00 1.00 H new ATOM 0 HA LYS A 28 70.440 3.900 3.744 1.00 1.00 H new ATOM 0 HB2 LYS A 28 72.751 4.926 3.805 1.00 1.00 H new ATOM 0 HB3 LYS A 28 72.011 6.509 3.665 1.00 1.00 H new ATOM 0 HG2 LYS A 28 70.799 6.201 5.780 1.00 1.00 H new ATOM 0 HG3 LYS A 28 71.321 4.531 5.888 1.00 1.00 H new ATOM 0 HD2 LYS A 28 73.363 5.133 6.780 1.00 1.00 H new ATOM 0 HD3 LYS A 28 73.650 6.299 5.504 1.00 1.00 H new ATOM 0 HE2 LYS A 28 71.896 6.799 7.962 1.00 1.00 H new ATOM 0 HE3 LYS A 28 73.539 7.378 7.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 72.402 9.169 6.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 72.538 8.300 5.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 71.091 8.248 6.401 1.00 1.00 H new ATOM 402 N VAL A 29 69.498 6.949 2.907 1.00 1.00 N ATOM 403 CA VAL A 29 68.389 7.893 3.045 1.00 1.00 C ATOM 404 C VAL A 29 67.150 7.385 2.331 1.00 1.00 C ATOM 405 O VAL A 29 66.064 7.366 2.914 1.00 1.00 O ATOM 406 CB VAL A 29 68.757 9.310 2.563 1.00 1.00 C ATOM 407 CG1 VAL A 29 68.673 9.399 1.036 1.00 1.00 C ATOM 408 CG2 VAL A 29 67.767 10.307 3.177 1.00 1.00 C ATOM 0 H VAL A 29 70.293 7.289 2.366 1.00 1.00 H new ATOM 0 HA VAL A 29 68.170 7.967 4.110 1.00 1.00 H new ATOM 0 HB VAL A 29 69.777 9.539 2.871 1.00 1.00 H new ATOM 0 HG11 VAL A 29 68.936 10.407 0.715 1.00 1.00 H new ATOM 0 HG12 VAL A 29 69.365 8.684 0.591 1.00 1.00 H new ATOM 0 HG13 VAL A 29 67.657 9.169 0.713 1.00 1.00 H new ATOM 0 HG21 VAL A 29 68.014 11.316 2.846 1.00 1.00 H new ATOM 0 HG22 VAL A 29 66.755 10.058 2.858 1.00 1.00 H new ATOM 0 HG23 VAL A 29 67.828 10.257 4.264 1.00 1.00 H new ATOM 418 N CYS A 30 67.293 6.996 1.073 1.00 1.00 N ATOM 419 CA CYS A 30 66.151 6.520 0.336 1.00 1.00 C ATOM 420 C CYS A 30 65.662 5.201 0.903 1.00 1.00 C ATOM 421 O CYS A 30 64.508 5.087 1.318 1.00 1.00 O ATOM 422 CB CYS A 30 66.590 6.333 -1.112 1.00 1.00 C ATOM 423 SG CYS A 30 65.186 5.938 -2.180 1.00 1.00 S ATOM 0 H CYS A 30 68.173 7.003 0.557 1.00 1.00 H new ATOM 0 HA CYS A 30 65.331 7.235 0.405 1.00 1.00 H new ATOM 0 HB2 CYS A 30 67.075 7.242 -1.467 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.329 5.534 -1.170 1.00 1.00 H new ATOM 428 N ALA A 31 66.496 4.181 0.848 1.00 1.00 N ATOM 429 CA ALA A 31 66.081 2.876 1.272 1.00 1.00 C ATOM 430 C ALA A 31 65.722 2.861 2.755 1.00 1.00 C ATOM 431 O ALA A 31 64.641 2.421 3.139 1.00 1.00 O ATOM 432 CB ALA A 31 67.202 1.868 0.911 1.00 1.00 C ATOM 0 H ALA A 31 67.458 4.239 0.514 1.00 1.00 H new ATOM 0 HA ALA A 31 65.169 2.582 0.752 1.00 1.00 H new ATOM 0 HB1 ALA A 31 66.906 0.867 1.225 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.366 1.876 -0.167 1.00 1.00 H new ATOM 0 HB3 ALA A 31 68.123 2.151 1.420 1.00 1.00 H new ATOM 438 N GLY A 32 66.622 3.321 3.586 1.00 1.00 N ATOM 439 CA GLY A 32 66.341 3.319 4.999 1.00 1.00 C ATOM 440 C GLY A 32 66.329 1.892 5.520 1.00 1.00 C ATOM 441 O GLY A 32 65.291 1.371 5.919 1.00 1.00 O ATOM 0 H GLY A 32 67.533 3.693 3.319 1.00 1.00 H new ATOM 0 HA2 GLY A 32 67.093 3.903 5.529 1.00 1.00 H new ATOM 0 HA3 GLY A 32 65.378 3.793 5.188 1.00 1.00 H new ATOM 445 N LEU A 33 67.523 1.316 5.460 1.00 1.00 N ATOM 446 CA LEU A 33 67.813 -0.072 5.888 1.00 1.00 C ATOM 447 C LEU A 33 67.577 -1.085 4.758 1.00 1.00 C ATOM 448 O LEU A 33 66.452 -1.519 4.558 1.00 1.00 O ATOM 449 CB LEU A 33 66.956 -0.480 7.100 1.00 1.00 C ATOM 450 CG LEU A 33 67.163 0.535 8.256 1.00 1.00 C ATOM 451 CD1 LEU A 33 65.889 0.652 9.106 1.00 1.00 C ATOM 452 CD2 LEU A 33 68.330 0.072 9.141 1.00 1.00 C ATOM 0 H LEU A 33 68.346 1.803 5.105 1.00 1.00 H new ATOM 0 HA LEU A 33 68.867 -0.087 6.164 1.00 1.00 H new ATOM 0 HB2 LEU A 33 65.904 -0.514 6.818 1.00 1.00 H new ATOM 0 HB3 LEU A 33 67.230 -1.482 7.430 1.00 1.00 H new ATOM 0 HG LEU A 33 67.389 1.512 7.828 1.00 1.00 H new ATOM 0 HD11 LEU A 33 66.053 1.368 9.911 1.00 1.00 H new ATOM 0 HD12 LEU A 33 65.064 0.993 8.480 1.00 1.00 H new ATOM 0 HD13 LEU A 33 65.644 -0.322 9.531 1.00 1.00 H new ATOM 0 HD21 LEU A 33 68.476 0.784 9.953 1.00 1.00 H new ATOM 0 HD22 LEU A 33 68.104 -0.910 9.556 1.00 1.00 H new ATOM 0 HD23 LEU A 33 69.239 0.013 8.543 1.00 1.00 H new ATOM 464 N PRO A 34 68.600 -1.474 4.027 1.00 1.00 N ATOM 465 CA PRO A 34 68.457 -2.454 2.905 1.00 1.00 C ATOM 466 C PRO A 34 67.615 -3.693 3.254 1.00 1.00 C ATOM 467 O PRO A 34 67.324 -4.502 2.374 1.00 1.00 O ATOM 468 CB PRO A 34 69.901 -2.840 2.557 1.00 1.00 C ATOM 469 CG PRO A 34 70.734 -1.674 2.992 1.00 1.00 C ATOM 470 CD PRO A 34 70.010 -1.043 4.186 1.00 1.00 C ATOM 0 HA PRO A 34 67.914 -2.007 2.072 1.00 1.00 H new ATOM 0 HB2 PRO A 34 70.200 -3.752 3.073 1.00 1.00 H new ATOM 0 HB3 PRO A 34 70.012 -3.027 1.489 1.00 1.00 H new ATOM 0 HG2 PRO A 34 71.737 -1.997 3.273 1.00 1.00 H new ATOM 0 HG3 PRO A 34 70.846 -0.954 2.182 1.00 1.00 H new ATOM 0 HD2 PRO A 34 70.427 -1.388 5.132 1.00 1.00 H new ATOM 0 HD3 PRO A 34 70.098 0.043 4.176 1.00 1.00 H new ATOM 478 N GLY A 35 67.244 -3.865 4.528 1.00 1.00 N ATOM 479 CA GLY A 35 66.465 -5.061 4.875 1.00 1.00 C ATOM 480 C GLY A 35 65.133 -5.058 4.107 1.00 1.00 C ATOM 481 O GLY A 35 64.867 -5.975 3.331 1.00 1.00 O ATOM 0 H GLY A 35 67.455 -3.231 5.299 1.00 1.00 H new ATOM 0 HA2 GLY A 35 67.033 -5.959 4.632 1.00 1.00 H new ATOM 0 HA3 GLY A 35 66.276 -5.084 5.948 1.00 1.00 H new ATOM 485 N VAL A 36 64.294 -4.035 4.313 1.00 1.00 N ATOM 486 CA VAL A 36 63.007 -3.960 3.601 1.00 1.00 C ATOM 487 C VAL A 36 63.212 -3.232 2.276 1.00 1.00 C ATOM 488 O VAL A 36 64.217 -3.461 1.610 1.00 1.00 O ATOM 489 CB VAL A 36 61.935 -3.254 4.478 1.00 1.00 C ATOM 490 CG1 VAL A 36 62.255 -1.744 4.637 1.00 1.00 C ATOM 491 CG2 VAL A 36 60.525 -3.437 3.840 1.00 1.00 C ATOM 0 H VAL A 36 64.475 -3.261 4.953 1.00 1.00 H new ATOM 0 HA VAL A 36 62.643 -4.967 3.396 1.00 1.00 H new ATOM 0 HB VAL A 36 61.945 -3.710 5.468 1.00 1.00 H new ATOM 0 HG11 VAL A 36 61.490 -1.273 5.255 1.00 1.00 H new ATOM 0 HG12 VAL A 36 63.229 -1.627 5.113 1.00 1.00 H new ATOM 0 HG13 VAL A 36 62.271 -1.270 3.656 1.00 1.00 H new ATOM 0 HG21 VAL A 36 59.778 -2.940 4.459 1.00 1.00 H new ATOM 0 HG22 VAL A 36 60.518 -3.000 2.842 1.00 1.00 H new ATOM 0 HG23 VAL A 36 60.291 -4.500 3.772 1.00 1.00 H new ATOM 501 N ILE A 37 62.271 -2.377 1.893 1.00 1.00 N ATOM 502 CA ILE A 37 62.383 -1.623 0.636 1.00 1.00 C ATOM 503 C ILE A 37 62.268 -2.512 -0.589 1.00 1.00 C ATOM 504 O ILE A 37 63.270 -2.856 -1.214 1.00 1.00 O ATOM 505 CB ILE A 37 63.708 -0.848 0.583 1.00 1.00 C ATOM 506 CG1 ILE A 37 63.820 0.048 1.851 1.00 1.00 C ATOM 507 CG2 ILE A 37 63.735 0.019 -0.687 1.00 1.00 C ATOM 508 CD1 ILE A 37 64.981 -0.403 2.747 1.00 1.00 C ATOM 0 H ILE A 37 61.424 -2.184 2.427 1.00 1.00 H new ATOM 0 HA ILE A 37 61.547 -0.924 0.620 1.00 1.00 H new ATOM 0 HB ILE A 37 64.550 -1.539 0.558 1.00 1.00 H new ATOM 0 HG12 ILE A 37 63.968 1.086 1.554 1.00 1.00 H new ATOM 0 HG13 ILE A 37 62.887 0.007 2.412 1.00 1.00 H new ATOM 0 HG21 ILE A 37 64.673 0.572 -0.730 1.00 1.00 H new ATOM 0 HG22 ILE A 37 63.649 -0.620 -1.566 1.00 1.00 H new ATOM 0 HG23 ILE A 37 62.901 0.721 -0.666 1.00 1.00 H new ATOM 0 HD11 ILE A 37 65.035 0.241 3.625 1.00 1.00 H new ATOM 0 HD12 ILE A 37 64.818 -1.434 3.063 1.00 1.00 H new ATOM 0 HD13 ILE A 37 65.916 -0.337 2.191 1.00 1.00 H new ATOM 520 N HIS A 38 61.036 -2.867 -0.944 1.00 1.00 N ATOM 521 CA HIS A 38 60.782 -3.688 -2.118 1.00 1.00 C ATOM 522 C HIS A 38 59.550 -3.132 -2.839 1.00 1.00 C ATOM 523 O HIS A 38 58.540 -2.819 -2.211 1.00 1.00 O ATOM 524 CB HIS A 38 60.567 -5.158 -1.702 1.00 1.00 C ATOM 525 CG HIS A 38 59.969 -5.229 -0.317 1.00 1.00 C ATOM 526 ND1 HIS A 38 60.237 -6.283 0.545 1.00 1.00 N ATOM 527 CD2 HIS A 38 59.119 -4.395 0.373 1.00 1.00 C ATOM 528 CE1 HIS A 38 59.562 -6.058 1.688 1.00 1.00 C ATOM 529 NE2 HIS A 38 58.864 -4.922 1.635 1.00 1.00 N ATOM 0 H HIS A 38 60.197 -2.596 -0.431 1.00 1.00 H new ATOM 0 HA HIS A 38 61.638 -3.660 -2.792 1.00 1.00 H new ATOM 0 HB2 HIS A 38 59.908 -5.652 -2.416 1.00 1.00 H new ATOM 0 HB3 HIS A 38 61.517 -5.692 -1.723 1.00 1.00 H new ATOM 0 HD2 HIS A 38 58.711 -3.470 -0.008 1.00 1.00 H new ATOM 0 HE1 HIS A 38 59.583 -6.717 2.544 1.00 1.00 H new ATOM 0 HE2 HIS A 38 58.271 -4.525 2.364 1.00 1.00 H new ATOM 537 N THR A 39 59.656 -2.967 -4.154 1.00 1.00 N ATOM 538 CA THR A 39 58.554 -2.407 -4.954 1.00 1.00 C ATOM 539 C THR A 39 57.903 -3.502 -5.792 1.00 1.00 C ATOM 540 O THR A 39 58.511 -4.534 -6.050 1.00 1.00 O ATOM 541 CB THR A 39 59.097 -1.299 -5.886 1.00 1.00 C ATOM 542 OG1 THR A 39 58.483 -1.401 -7.164 1.00 1.00 O ATOM 543 CG2 THR A 39 60.617 -1.439 -6.053 1.00 1.00 C ATOM 0 H THR A 39 60.487 -3.210 -4.693 1.00 1.00 H new ATOM 0 HA THR A 39 57.809 -1.984 -4.280 1.00 1.00 H new ATOM 0 HB THR A 39 58.869 -0.331 -5.440 1.00 1.00 H new ATOM 0 HG1 THR A 39 58.829 -0.696 -7.750 1.00 1.00 H new ATOM 0 HG21 THR A 39 60.985 -0.652 -6.712 1.00 1.00 H new ATOM 0 HG22 THR A 39 61.100 -1.352 -5.079 1.00 1.00 H new ATOM 0 HG23 THR A 39 60.847 -2.412 -6.487 1.00 1.00 H new ATOM 551 N PRO A 40 56.690 -3.305 -6.235 1.00 1.00 N ATOM 552 CA PRO A 40 55.995 -4.308 -7.082 1.00 1.00 C ATOM 553 C PRO A 40 56.579 -4.367 -8.493 1.00 1.00 C ATOM 554 O PRO A 40 56.456 -5.389 -9.169 1.00 1.00 O ATOM 555 CB PRO A 40 54.542 -3.825 -7.105 1.00 1.00 C ATOM 556 CG PRO A 40 54.632 -2.347 -6.890 1.00 1.00 C ATOM 557 CD PRO A 40 55.839 -2.125 -5.974 1.00 1.00 C ATOM 0 HA PRO A 40 56.100 -5.320 -6.691 1.00 1.00 H new ATOM 0 HB2 PRO A 40 54.062 -4.059 -8.055 1.00 1.00 H new ATOM 0 HB3 PRO A 40 53.953 -4.304 -6.323 1.00 1.00 H new ATOM 0 HG2 PRO A 40 54.759 -1.822 -7.837 1.00 1.00 H new ATOM 0 HG3 PRO A 40 53.720 -1.963 -6.433 1.00 1.00 H new ATOM 0 HD2 PRO A 40 56.357 -1.196 -6.211 1.00 1.00 H new ATOM 0 HD3 PRO A 40 55.543 -2.067 -4.927 1.00 1.00 H new ATOM 565 N ALA A 41 57.227 -3.277 -8.935 1.00 1.00 N ATOM 566 CA ALA A 41 57.829 -3.259 -10.270 1.00 1.00 C ATOM 567 C ALA A 41 59.327 -3.029 -10.177 1.00 1.00 C ATOM 568 O ALA A 41 59.799 -1.896 -10.250 1.00 1.00 O ATOM 569 CB ALA A 41 57.197 -2.133 -11.103 1.00 1.00 C ATOM 0 H ALA A 41 57.344 -2.417 -8.399 1.00 1.00 H new ATOM 0 HA ALA A 41 57.648 -4.223 -10.746 1.00 1.00 H new ATOM 0 HB1 ALA A 41 57.645 -2.120 -12.096 1.00 1.00 H new ATOM 0 HB2 ALA A 41 56.124 -2.304 -11.191 1.00 1.00 H new ATOM 0 HB3 ALA A 41 57.373 -1.175 -10.613 1.00 1.00 H new ATOM 575 N ARG A 42 60.063 -4.099 -9.955 1.00 1.00 N ATOM 576 CA ARG A 42 61.514 -3.994 -9.795 1.00 1.00 C ATOM 577 C ARG A 42 62.215 -4.465 -11.056 1.00 1.00 C ATOM 578 O ARG A 42 61.876 -5.504 -11.621 1.00 1.00 O ATOM 579 CB ARG A 42 61.987 -4.848 -8.592 1.00 1.00 C ATOM 580 CG ARG A 42 60.789 -5.321 -7.778 1.00 1.00 C ATOM 581 CD ARG A 42 61.296 -6.033 -6.527 1.00 1.00 C ATOM 582 NE ARG A 42 62.257 -7.076 -6.909 1.00 1.00 N ATOM 583 CZ ARG A 42 63.578 -6.932 -6.736 1.00 1.00 C ATOM 584 NH1 ARG A 42 64.079 -5.826 -6.243 1.00 1.00 N ATOM 585 NH2 ARG A 42 64.380 -7.900 -7.079 1.00 1.00 N ATOM 0 H ARG A 42 59.693 -5.046 -9.880 1.00 1.00 H new ATOM 0 HA ARG A 42 61.765 -2.949 -9.612 1.00 1.00 H new ATOM 0 HB2 ARG A 42 62.556 -5.707 -8.948 1.00 1.00 H new ATOM 0 HB3 ARG A 42 62.656 -4.262 -7.961 1.00 1.00 H new ATOM 0 HG2 ARG A 42 60.162 -4.473 -7.502 1.00 1.00 H new ATOM 0 HG3 ARG A 42 60.171 -5.995 -8.372 1.00 1.00 H new ATOM 0 HD2 ARG A 42 61.769 -5.317 -5.855 1.00 1.00 H new ATOM 0 HD3 ARG A 42 60.461 -6.475 -5.984 1.00 1.00 H new ATOM 0 HE ARG A 42 61.906 -7.941 -7.321 1.00 1.00 H new ATOM 0 HH11 ARG A 42 63.461 -5.057 -5.984 1.00 1.00 H new ATOM 0 HH12 ARG A 42 65.087 -5.734 -6.118 1.00 1.00 H new ATOM 0 HH21 ARG A 42 64.001 -8.760 -7.476 1.00 1.00 H new ATOM 0 HH22 ARG A 42 65.387 -7.798 -6.950 1.00 1.00 H new ATOM 599 N ARG A 43 63.203 -3.713 -11.487 1.00 1.00 N ATOM 600 CA ARG A 43 63.939 -4.098 -12.671 1.00 1.00 C ATOM 601 C ARG A 43 64.684 -5.430 -12.414 1.00 1.00 C ATOM 602 O ARG A 43 65.663 -5.755 -13.080 1.00 1.00 O ATOM 603 CB ARG A 43 64.893 -2.950 -13.072 1.00 1.00 C ATOM 604 CG ARG A 43 65.480 -3.141 -14.488 1.00 1.00 C ATOM 605 CD ARG A 43 64.394 -3.063 -15.574 1.00 1.00 C ATOM 606 NE ARG A 43 65.010 -3.151 -16.892 1.00 1.00 N ATOM 607 CZ ARG A 43 65.278 -4.332 -17.447 1.00 1.00 C ATOM 608 NH1 ARG A 43 65.039 -5.431 -16.780 1.00 1.00 N ATOM 609 NH2 ARG A 43 65.788 -4.394 -18.646 1.00 1.00 N ATOM 0 H ARG A 43 63.512 -2.847 -11.045 1.00 1.00 H new ATOM 0 HA ARG A 43 63.260 -4.269 -13.506 1.00 1.00 H new ATOM 0 HB2 ARG A 43 64.356 -2.003 -13.029 1.00 1.00 H new ATOM 0 HB3 ARG A 43 65.707 -2.888 -12.349 1.00 1.00 H new ATOM 0 HG2 ARG A 43 66.235 -2.377 -14.674 1.00 1.00 H new ATOM 0 HG3 ARG A 43 65.982 -4.107 -14.546 1.00 1.00 H new ATOM 0 HD2 ARG A 43 63.676 -3.873 -15.443 1.00 1.00 H new ATOM 0 HD3 ARG A 43 63.841 -2.128 -15.482 1.00 1.00 H new ATOM 0 HE ARG A 43 65.239 -2.295 -17.397 1.00 1.00 H new ATOM 0 HH11 ARG A 43 64.649 -5.382 -15.839 1.00 1.00 H new ATOM 0 HH12 ARG A 43 65.243 -6.338 -17.201 1.00 1.00 H new ATOM 0 HH21 ARG A 43 65.983 -3.536 -19.162 1.00 1.00 H new ATOM 0 HH22 ARG A 43 65.992 -5.300 -19.067 1.00 1.00 H new ATOM 623 N GLY A 44 64.194 -6.210 -11.434 1.00 1.00 N ATOM 624 CA GLY A 44 64.790 -7.503 -11.096 1.00 1.00 C ATOM 625 C GLY A 44 66.142 -7.315 -10.429 1.00 1.00 C ATOM 626 O GLY A 44 66.586 -8.144 -9.632 1.00 1.00 O ATOM 0 H GLY A 44 63.385 -5.962 -10.865 1.00 1.00 H new ATOM 0 HA2 GLY A 44 64.124 -8.053 -10.431 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.905 -8.103 -11.999 1.00 1.00 H new ATOM 630 N PHE A 45 66.779 -6.207 -10.781 1.00 1.00 N ATOM 631 CA PHE A 45 68.083 -5.853 -10.256 1.00 1.00 C ATOM 632 C PHE A 45 68.342 -4.388 -10.556 1.00 1.00 C ATOM 633 O PHE A 45 67.530 -3.767 -11.227 1.00 1.00 O ATOM 634 CB PHE A 45 69.171 -6.718 -10.910 1.00 1.00 C ATOM 635 CG PHE A 45 69.336 -6.324 -12.363 1.00 1.00 C ATOM 636 CD1 PHE A 45 68.430 -6.789 -13.322 1.00 1.00 C ATOM 637 CD2 PHE A 45 70.390 -5.484 -12.745 1.00 1.00 C ATOM 638 CE1 PHE A 45 68.576 -6.414 -14.663 1.00 1.00 C ATOM 639 CE2 PHE A 45 70.539 -5.112 -14.085 1.00 1.00 C ATOM 640 CZ PHE A 45 69.631 -5.576 -15.044 1.00 1.00 C ATOM 0 H PHE A 45 66.401 -5.528 -11.442 1.00 1.00 H new ATOM 0 HA PHE A 45 68.106 -6.025 -9.180 1.00 1.00 H new ATOM 0 HB2 PHE A 45 70.115 -6.593 -10.380 1.00 1.00 H new ATOM 0 HB3 PHE A 45 68.903 -7.772 -10.838 1.00 1.00 H new ATOM 0 HD1 PHE A 45 67.618 -7.437 -13.028 1.00 1.00 H new ATOM 0 HD2 PHE A 45 71.088 -5.123 -12.004 1.00 1.00 H new ATOM 0 HE1 PHE A 45 67.875 -6.771 -15.403 1.00 1.00 H new ATOM 0 HE2 PHE A 45 71.354 -4.467 -14.380 1.00 1.00 H new ATOM 0 HZ PHE A 45 69.744 -5.287 -16.079 1.00 1.00 H new ATOM 650 N PHE A 46 69.446 -3.877 -9.994 1.00 1.00 N ATOM 651 CA PHE A 46 69.892 -2.467 -10.114 1.00 1.00 C ATOM 652 C PHE A 46 69.860 -1.837 -8.721 1.00 1.00 C ATOM 653 O PHE A 46 68.802 -1.407 -8.288 1.00 1.00 O ATOM 654 CB PHE A 46 69.017 -1.635 -11.110 1.00 1.00 C ATOM 655 CG PHE A 46 69.826 -0.537 -11.789 1.00 1.00 C ATOM 656 CD1 PHE A 46 70.327 0.542 -11.051 1.00 1.00 C ATOM 657 CD2 PHE A 46 70.051 -0.590 -13.186 1.00 1.00 C ATOM 658 CE1 PHE A 46 71.042 1.564 -11.700 1.00 1.00 C ATOM 659 CE2 PHE A 46 70.771 0.429 -13.826 1.00 1.00 C ATOM 660 CZ PHE A 46 71.263 1.506 -13.083 1.00 1.00 C ATOM 0 H PHE A 46 70.077 -4.443 -9.426 1.00 1.00 H new ATOM 0 HA PHE A 46 70.903 -2.459 -10.522 1.00 1.00 H new ATOM 0 HB2 PHE A 46 68.597 -2.298 -11.866 1.00 1.00 H new ATOM 0 HB3 PHE A 46 68.178 -1.191 -10.574 1.00 1.00 H new ATOM 0 HD1 PHE A 46 70.164 0.589 -9.984 1.00 1.00 H new ATOM 0 HD2 PHE A 46 69.666 -1.419 -13.761 1.00 1.00 H new ATOM 0 HE1 PHE A 46 71.423 2.398 -11.130 1.00 1.00 H new ATOM 0 HE2 PHE A 46 70.945 0.382 -14.891 1.00 1.00 H new ATOM 0 HZ PHE A 46 71.814 2.294 -13.575 1.00 1.00 H new ATOM 670 N ARG A 47 71.036 -1.823 -8.053 1.00 1.00 N ATOM 671 CA ARG A 47 71.244 -1.272 -6.683 1.00 1.00 C ATOM 672 C ARG A 47 71.626 -2.381 -5.738 1.00 1.00 C ATOM 673 O ARG A 47 70.965 -3.413 -5.720 1.00 1.00 O ATOM 674 CB ARG A 47 70.015 -0.581 -6.042 1.00 1.00 C ATOM 675 CG ARG A 47 69.880 0.869 -6.528 1.00 1.00 C ATOM 676 CD ARG A 47 70.898 1.800 -5.811 1.00 1.00 C ATOM 677 NE ARG A 47 71.995 2.143 -6.726 1.00 1.00 N ATOM 678 CZ ARG A 47 72.295 3.405 -7.059 1.00 1.00 C ATOM 679 NH1 ARG A 47 71.552 4.408 -6.668 1.00 1.00 N ATOM 680 NH2 ARG A 47 73.339 3.631 -7.807 1.00 1.00 N ATOM 0 H ARG A 47 71.892 -2.203 -8.457 1.00 1.00 H new ATOM 0 HA ARG A 47 72.020 -0.519 -6.823 1.00 1.00 H new ATOM 0 HB2 ARG A 47 69.111 -1.137 -6.290 1.00 1.00 H new ATOM 0 HB3 ARG A 47 70.110 -0.596 -4.956 1.00 1.00 H new ATOM 0 HG2 ARG A 47 70.041 0.911 -7.605 1.00 1.00 H new ATOM 0 HG3 ARG A 47 68.866 1.224 -6.344 1.00 1.00 H new ATOM 0 HD2 ARG A 47 70.398 2.708 -5.473 1.00 1.00 H new ATOM 0 HD3 ARG A 47 71.294 1.305 -4.924 1.00 1.00 H new ATOM 0 HE ARG A 47 72.552 1.387 -7.125 1.00 1.00 H new ATOM 0 HH11 ARG A 47 70.724 4.237 -6.097 1.00 1.00 H new ATOM 0 HH12 ARG A 47 71.800 5.361 -6.934 1.00 1.00 H new ATOM 0 HH21 ARG A 47 73.913 2.852 -8.130 1.00 1.00 H new ATOM 0 HH22 ARG A 47 73.581 4.586 -8.070 1.00 1.00 H new ATOM 694 N CYS A 48 72.669 -2.115 -4.939 1.00 1.00 N ATOM 695 CA CYS A 48 73.173 -3.033 -3.907 1.00 1.00 C ATOM 696 C CYS A 48 74.625 -3.371 -4.144 1.00 1.00 C ATOM 697 O CYS A 48 75.243 -4.035 -3.312 1.00 1.00 O ATOM 698 CB CYS A 48 72.382 -4.342 -3.813 1.00 1.00 C ATOM 699 SG CYS A 48 73.034 -5.337 -2.455 1.00 1.00 S ATOM 0 H CYS A 48 73.195 -1.242 -4.992 1.00 1.00 H new ATOM 0 HA CYS A 48 73.052 -2.497 -2.966 1.00 1.00 H new ATOM 0 HB2 CYS A 48 71.325 -4.131 -3.649 1.00 1.00 H new ATOM 0 HB3 CYS A 48 72.456 -4.893 -4.751 1.00 1.00 H new ATOM 704 N ASN A 49 75.184 -2.908 -5.267 1.00 1.00 N ATOM 705 CA ASN A 49 76.588 -3.182 -5.582 1.00 1.00 C ATOM 706 C ASN A 49 77.357 -1.862 -5.724 1.00 1.00 C ATOM 707 O ASN A 49 76.780 -0.849 -6.114 1.00 1.00 O ATOM 708 CB ASN A 49 76.670 -3.987 -6.890 1.00 1.00 C ATOM 709 CG ASN A 49 75.544 -3.576 -7.836 1.00 1.00 C ATOM 710 OD1 ASN A 49 74.440 -4.115 -7.764 1.00 1.00 O ATOM 711 ND2 ASN A 49 75.763 -2.653 -8.734 1.00 1.00 N ATOM 0 H ASN A 49 74.692 -2.349 -5.964 1.00 1.00 H new ATOM 0 HA ASN A 49 77.036 -3.763 -4.775 1.00 1.00 H new ATOM 0 HB2 ASN A 49 77.635 -3.820 -7.368 1.00 1.00 H new ATOM 0 HB3 ASN A 49 76.602 -5.053 -6.674 1.00 1.00 H new ATOM 0 HD21 ASN A 49 75.019 -2.379 -9.376 1.00 1.00 H new ATOM 0 HD22 ASN A 49 76.678 -2.206 -8.794 1.00 1.00 H new ATOM 718 N PRO A 50 78.635 -1.843 -5.411 1.00 1.00 N ATOM 719 CA PRO A 50 79.463 -0.605 -5.515 1.00 1.00 C ATOM 720 C PRO A 50 79.866 -0.243 -6.946 1.00 1.00 C ATOM 721 O PRO A 50 80.958 -0.586 -7.395 1.00 1.00 O ATOM 722 CB PRO A 50 80.703 -0.939 -4.672 1.00 1.00 C ATOM 723 CG PRO A 50 80.860 -2.414 -4.814 1.00 1.00 C ATOM 724 CD PRO A 50 79.441 -2.983 -4.920 1.00 1.00 C ATOM 0 HA PRO A 50 78.907 0.268 -5.174 1.00 1.00 H new ATOM 0 HB2 PRO A 50 81.584 -0.409 -5.034 1.00 1.00 H new ATOM 0 HB3 PRO A 50 80.564 -0.653 -3.630 1.00 1.00 H new ATOM 0 HG2 PRO A 50 81.446 -2.660 -5.699 1.00 1.00 H new ATOM 0 HG3 PRO A 50 81.386 -2.835 -3.957 1.00 1.00 H new ATOM 0 HD2 PRO A 50 79.400 -3.827 -5.608 1.00 1.00 H new ATOM 0 HD3 PRO A 50 79.081 -3.340 -3.955 1.00 1.00 H new ATOM 732 N GLU A 51 79.006 0.500 -7.632 1.00 1.00 N ATOM 733 CA GLU A 51 79.323 0.977 -8.988 1.00 1.00 C ATOM 734 C GLU A 51 79.421 -0.172 -9.994 1.00 1.00 C ATOM 735 O GLU A 51 79.125 -0.004 -11.178 1.00 1.00 O ATOM 736 CB GLU A 51 80.670 1.757 -8.974 1.00 1.00 C ATOM 737 CG GLU A 51 80.960 2.372 -7.566 1.00 1.00 C ATOM 738 CD GLU A 51 82.085 1.642 -6.826 1.00 1.00 C ATOM 739 OE1 GLU A 51 82.871 0.968 -7.468 1.00 1.00 O ATOM 740 OE2 GLU A 51 82.143 1.774 -5.613 1.00 1.00 O ATOM 0 H GLU A 51 78.091 0.787 -7.283 1.00 1.00 H new ATOM 0 HA GLU A 51 78.509 1.631 -9.299 1.00 1.00 H new ATOM 0 HB2 GLU A 51 81.483 1.087 -9.254 1.00 1.00 H new ATOM 0 HB3 GLU A 51 80.640 2.551 -9.720 1.00 1.00 H new ATOM 0 HG2 GLU A 51 81.227 3.423 -7.680 1.00 1.00 H new ATOM 0 HG3 GLU A 51 80.052 2.338 -6.964 1.00 1.00 H new ATOM 747 N ARG A 52 79.876 -1.313 -9.524 1.00 1.00 N ATOM 748 CA ARG A 52 80.058 -2.470 -10.375 1.00 1.00 C ATOM 749 C ARG A 52 78.859 -2.704 -11.297 1.00 1.00 C ATOM 750 O ARG A 52 77.699 -2.598 -10.897 1.00 1.00 O ATOM 751 CB ARG A 52 80.293 -3.701 -9.472 1.00 1.00 C ATOM 752 CG ARG A 52 81.706 -4.258 -9.656 1.00 1.00 C ATOM 753 CD ARG A 52 81.842 -5.533 -8.829 1.00 1.00 C ATOM 754 NE ARG A 52 81.935 -5.214 -7.411 1.00 1.00 N ATOM 755 CZ ARG A 52 82.150 -6.168 -6.513 1.00 1.00 C ATOM 756 NH1 ARG A 52 82.300 -7.402 -6.905 1.00 1.00 N ATOM 757 NH2 ARG A 52 82.214 -5.875 -5.242 1.00 1.00 N ATOM 0 H ARG A 52 80.129 -1.465 -8.548 1.00 1.00 H new ATOM 0 HA ARG A 52 80.918 -2.299 -11.023 1.00 1.00 H new ATOM 0 HB2 ARG A 52 80.141 -3.425 -8.429 1.00 1.00 H new ATOM 0 HB3 ARG A 52 79.561 -4.473 -9.707 1.00 1.00 H new ATOM 0 HG2 ARG A 52 81.895 -4.469 -10.709 1.00 1.00 H new ATOM 0 HG3 ARG A 52 82.446 -3.522 -9.340 1.00 1.00 H new ATOM 0 HD2 ARG A 52 80.984 -6.182 -9.006 1.00 1.00 H new ATOM 0 HD3 ARG A 52 82.729 -6.084 -9.143 1.00 1.00 H new ATOM 0 HE ARG A 52 81.834 -4.246 -7.104 1.00 1.00 H new ATOM 0 HH11 ARG A 52 82.252 -7.631 -7.898 1.00 1.00 H new ATOM 0 HH12 ARG A 52 82.465 -8.139 -6.219 1.00 1.00 H new ATOM 0 HH21 ARG A 52 82.099 -4.909 -4.935 1.00 1.00 H new ATOM 0 HH22 ARG A 52 82.379 -6.612 -4.556 1.00 1.00 H new ATOM 771 N ILE A 53 79.181 -3.081 -12.529 1.00 1.00 N ATOM 772 CA ILE A 53 78.174 -3.391 -13.534 1.00 1.00 C ATOM 773 C ILE A 53 77.698 -4.822 -13.323 1.00 1.00 C ATOM 774 O ILE A 53 78.342 -5.580 -12.600 1.00 1.00 O ATOM 775 CB ILE A 53 78.743 -3.172 -14.957 1.00 1.00 C ATOM 776 CG1 ILE A 53 77.601 -2.775 -15.925 1.00 1.00 C ATOM 777 CG2 ILE A 53 79.442 -4.444 -15.462 1.00 1.00 C ATOM 778 CD1 ILE A 53 77.353 -1.261 -15.850 1.00 1.00 C ATOM 0 H ILE A 53 80.142 -3.180 -12.857 1.00 1.00 H new ATOM 0 HA ILE A 53 77.320 -2.721 -13.431 1.00 1.00 H new ATOM 0 HB ILE A 53 79.477 -2.367 -14.918 1.00 1.00 H new ATOM 0 HG12 ILE A 53 77.862 -3.059 -16.944 1.00 1.00 H new ATOM 0 HG13 ILE A 53 76.690 -3.315 -15.667 1.00 1.00 H new ATOM 0 HG21 ILE A 53 79.835 -4.270 -16.464 1.00 1.00 H new ATOM 0 HG22 ILE A 53 80.261 -4.700 -14.790 1.00 1.00 H new ATOM 0 HG23 ILE A 53 78.726 -5.265 -15.491 1.00 1.00 H new ATOM 0 HD11 ILE A 53 76.549 -0.990 -16.534 1.00 1.00 H new ATOM 0 HD12 ILE A 53 77.072 -0.988 -14.833 1.00 1.00 H new ATOM 0 HD13 ILE A 53 78.262 -0.729 -16.130 1.00 1.00 H new ATOM 790 N GLN A 54 76.584 -5.198 -13.954 1.00 1.00 N ATOM 791 CA GLN A 54 76.053 -6.544 -13.819 1.00 1.00 C ATOM 792 C GLN A 54 75.643 -7.043 -15.205 1.00 1.00 C ATOM 793 O GLN A 54 74.979 -6.328 -15.956 1.00 1.00 O ATOM 794 CB GLN A 54 74.842 -6.522 -12.876 1.00 1.00 C ATOM 795 CG GLN A 54 75.087 -5.501 -11.760 1.00 1.00 C ATOM 796 CD GLN A 54 73.895 -5.478 -10.820 1.00 1.00 C ATOM 797 OE1 GLN A 54 73.632 -6.453 -10.119 1.00 1.00 O ATOM 798 NE2 GLN A 54 73.140 -4.416 -10.785 1.00 1.00 N ATOM 0 H GLN A 54 76.038 -4.587 -14.561 1.00 1.00 H new ATOM 0 HA GLN A 54 76.805 -7.212 -13.400 1.00 1.00 H new ATOM 0 HB2 GLN A 54 73.940 -6.263 -13.430 1.00 1.00 H new ATOM 0 HB3 GLN A 54 74.681 -7.512 -12.450 1.00 1.00 H new ATOM 0 HG2 GLN A 54 75.992 -5.759 -11.210 1.00 1.00 H new ATOM 0 HG3 GLN A 54 75.245 -4.511 -12.187 1.00 1.00 H new ATOM 0 HE21 GLN A 54 73.365 -3.611 -11.370 1.00 1.00 H new ATOM 0 HE22 GLN A 54 72.324 -4.390 -10.173 1.00 1.00 H new ATOM 807 N ILE A 55 76.013 -8.278 -15.524 1.00 1.00 N ATOM 808 CA ILE A 55 75.650 -8.886 -16.808 1.00 1.00 C ATOM 809 C ILE A 55 75.340 -10.363 -16.612 1.00 1.00 C ATOM 810 O ILE A 55 75.824 -10.972 -15.658 1.00 1.00 O ATOM 811 CB ILE A 55 76.780 -8.694 -17.836 1.00 1.00 C ATOM 812 CG1 ILE A 55 78.136 -9.208 -17.270 1.00 1.00 C ATOM 813 CG2 ILE A 55 76.882 -7.198 -18.179 1.00 1.00 C ATOM 814 CD1 ILE A 55 78.445 -10.621 -17.793 1.00 1.00 C ATOM 0 H ILE A 55 76.564 -8.882 -14.914 1.00 1.00 H new ATOM 0 HA ILE A 55 74.758 -8.392 -17.194 1.00 1.00 H new ATOM 0 HB ILE A 55 76.554 -9.269 -18.734 1.00 1.00 H new ATOM 0 HG12 ILE A 55 78.937 -8.526 -17.556 1.00 1.00 H new ATOM 0 HG13 ILE A 55 78.100 -9.218 -16.181 1.00 1.00 H new ATOM 0 HG21 ILE A 55 77.679 -7.045 -18.907 1.00 1.00 H new ATOM 0 HG22 ILE A 55 75.936 -6.856 -18.599 1.00 1.00 H new ATOM 0 HG23 ILE A 55 77.103 -6.632 -17.274 1.00 1.00 H new ATOM 0 HD11 ILE A 55 79.397 -10.960 -17.385 1.00 1.00 H new ATOM 0 HD12 ILE A 55 77.654 -11.304 -17.484 1.00 1.00 H new ATOM 0 HD13 ILE A 55 78.503 -10.601 -18.881 1.00 1.00 H new ATOM 826 N GLY A 56 74.508 -10.946 -17.481 1.00 1.00 N ATOM 827 CA GLY A 56 74.134 -12.349 -17.339 1.00 1.00 C ATOM 828 C GLY A 56 72.705 -12.460 -16.806 1.00 1.00 C ATOM 829 O GLY A 56 72.223 -13.554 -16.527 1.00 1.00 O ATOM 0 H GLY A 56 74.087 -10.471 -18.280 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.211 -12.853 -18.302 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.824 -12.850 -16.660 1.00 1.00 H new ATOM 833 N ASP A 57 72.056 -11.303 -16.619 1.00 1.00 N ATOM 834 CA ASP A 57 70.689 -11.262 -16.077 1.00 1.00 C ATOM 835 C ASP A 57 69.615 -11.406 -17.165 1.00 1.00 C ATOM 836 O ASP A 57 69.286 -10.467 -17.888 1.00 1.00 O ATOM 837 CB ASP A 57 70.470 -9.951 -15.325 1.00 1.00 C ATOM 838 CG ASP A 57 71.327 -9.917 -14.062 1.00 1.00 C ATOM 839 OD1 ASP A 57 71.175 -10.806 -13.240 1.00 1.00 O ATOM 840 OD2 ASP A 57 72.111 -8.993 -13.930 1.00 1.00 O ATOM 0 H ASP A 57 72.452 -10.388 -16.833 1.00 1.00 H new ATOM 0 HA ASP A 57 70.589 -12.112 -15.402 1.00 1.00 H new ATOM 0 HB2 ASP A 57 70.724 -9.108 -15.968 1.00 1.00 H new ATOM 0 HB3 ASP A 57 69.417 -9.846 -15.062 1.00 1.00 H new ATOM 845 N TRP A 58 69.059 -12.597 -17.198 1.00 1.00 N ATOM 846 CA TRP A 58 67.981 -12.966 -18.114 1.00 1.00 C ATOM 847 C TRP A 58 66.658 -12.410 -17.575 1.00 1.00 C ATOM 848 O TRP A 58 66.665 -11.820 -16.502 1.00 1.00 O ATOM 849 CB TRP A 58 67.966 -14.470 -18.268 1.00 1.00 C ATOM 850 CG TRP A 58 69.089 -14.922 -19.153 1.00 1.00 C ATOM 851 CD1 TRP A 58 70.382 -14.587 -18.965 1.00 1.00 C ATOM 852 CD2 TRP A 58 69.057 -15.776 -20.339 1.00 1.00 C ATOM 853 NE1 TRP A 58 71.154 -15.189 -19.935 1.00 1.00 N ATOM 854 CE2 TRP A 58 70.387 -15.929 -20.806 1.00 1.00 C ATOM 855 CE3 TRP A 58 68.029 -16.430 -21.047 1.00 1.00 C ATOM 856 CZ2 TRP A 58 70.686 -16.702 -21.925 1.00 1.00 C ATOM 857 CZ3 TRP A 58 68.331 -17.209 -22.179 1.00 1.00 C ATOM 858 CH2 TRP A 58 69.658 -17.345 -22.614 1.00 1.00 C ATOM 0 H TRP A 58 69.343 -13.357 -16.580 1.00 1.00 H new ATOM 0 HA TRP A 58 68.134 -12.537 -19.104 1.00 1.00 H new ATOM 0 HB2 TRP A 58 68.055 -14.942 -17.289 1.00 1.00 H new ATOM 0 HB3 TRP A 58 67.013 -14.788 -18.690 1.00 1.00 H new ATOM 0 HD1 TRP A 58 70.754 -13.948 -18.178 1.00 1.00 H new ATOM 0 HE1 TRP A 58 72.168 -15.098 -19.999 1.00 1.00 H new ATOM 0 HE3 TRP A 58 67.005 -16.333 -20.719 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 71.709 -16.803 -22.258 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 67.537 -17.705 -22.716 1.00 1.00 H new ATOM 0 HH2 TRP A 58 69.883 -17.947 -23.482 1.00 1.00 H new ATOM 869 N ARG A 59 65.521 -12.601 -18.278 1.00 1.00 N ATOM 870 CA ARG A 59 64.219 -12.108 -17.789 1.00 1.00 C ATOM 871 C ARG A 59 63.357 -13.235 -17.147 1.00 1.00 C ATOM 872 O ARG A 59 62.914 -13.131 -16.003 1.00 1.00 O ATOM 873 CB ARG A 59 63.453 -11.465 -18.973 1.00 1.00 C ATOM 874 CG ARG A 59 63.641 -12.294 -20.286 1.00 1.00 C ATOM 875 CD ARG A 59 64.593 -11.586 -21.266 1.00 1.00 C ATOM 876 NE ARG A 59 64.682 -12.342 -22.517 1.00 1.00 N ATOM 877 CZ ARG A 59 65.362 -13.488 -22.588 1.00 1.00 C ATOM 878 NH1 ARG A 59 65.947 -13.967 -21.525 1.00 1.00 N ATOM 879 NH2 ARG A 59 65.435 -14.140 -23.719 1.00 1.00 N ATOM 0 H ARG A 59 65.479 -13.087 -19.174 1.00 1.00 H new ATOM 0 HA ARG A 59 64.408 -11.372 -17.007 1.00 1.00 H new ATOM 0 HB2 ARG A 59 62.392 -11.399 -18.730 1.00 1.00 H new ATOM 0 HB3 ARG A 59 63.808 -10.446 -19.129 1.00 1.00 H new ATOM 0 HG2 ARG A 59 64.035 -13.280 -20.042 1.00 1.00 H new ATOM 0 HG3 ARG A 59 62.673 -12.447 -20.763 1.00 1.00 H new ATOM 0 HD2 ARG A 59 64.235 -10.576 -21.467 1.00 1.00 H new ATOM 0 HD3 ARG A 59 65.582 -11.490 -20.819 1.00 1.00 H new ATOM 0 HE ARG A 59 64.215 -11.986 -23.351 1.00 1.00 H new ATOM 0 HH11 ARG A 59 65.885 -13.466 -20.639 1.00 1.00 H new ATOM 0 HH12 ARG A 59 66.467 -14.843 -21.580 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.971 -13.773 -24.550 1.00 1.00 H new ATOM 0 HH22 ARG A 59 65.956 -15.016 -23.770 1.00 1.00 H new ATOM 893 N TYR A 60 63.106 -14.287 -17.947 1.00 1.00 N ATOM 894 CA TYR A 60 62.280 -15.466 -17.582 1.00 1.00 C ATOM 895 C TYR A 60 63.052 -16.487 -16.734 1.00 1.00 C ATOM 896 O TYR A 60 62.486 -17.386 -16.080 1.00 1.00 O ATOM 897 CB TYR A 60 61.789 -16.153 -18.870 1.00 1.00 C ATOM 898 CG TYR A 60 61.177 -17.503 -18.536 1.00 1.00 C ATOM 899 CD1 TYR A 60 59.898 -17.572 -17.976 1.00 1.00 C ATOM 900 CD2 TYR A 60 61.911 -18.681 -18.748 1.00 1.00 C ATOM 901 CE1 TYR A 60 59.349 -18.811 -17.630 1.00 1.00 C ATOM 902 CE2 TYR A 60 61.365 -19.923 -18.392 1.00 1.00 C ATOM 903 CZ TYR A 60 60.082 -19.985 -17.833 1.00 1.00 C ATOM 904 OH TYR A 60 59.549 -21.201 -17.461 1.00 1.00 O ATOM 0 H TYR A 60 63.480 -14.348 -18.894 1.00 1.00 H new ATOM 0 HA TYR A 60 61.443 -15.107 -16.983 1.00 1.00 H new ATOM 0 HB2 TYR A 60 61.052 -15.524 -19.370 1.00 1.00 H new ATOM 0 HB3 TYR A 60 62.620 -16.282 -19.563 1.00 1.00 H new ATOM 0 HD1 TYR A 60 59.333 -16.667 -17.810 1.00 1.00 H new ATOM 0 HD2 TYR A 60 62.897 -18.631 -19.186 1.00 1.00 H new ATOM 0 HE1 TYR A 60 58.357 -18.861 -17.205 1.00 1.00 H new ATOM 0 HE2 TYR A 60 61.932 -20.829 -18.548 1.00 1.00 H new ATOM 0 HH TYR A 60 60.186 -21.915 -17.672 1.00 1.00 H new ATOM 914 N GLU A 61 64.338 -16.312 -16.702 1.00 1.00 N ATOM 915 CA GLU A 61 65.192 -17.172 -15.915 1.00 1.00 C ATOM 916 C GLU A 61 65.128 -16.737 -14.474 1.00 1.00 C ATOM 917 O GLU A 61 65.597 -17.436 -13.595 1.00 1.00 O ATOM 918 CB GLU A 61 66.626 -17.088 -16.427 1.00 1.00 C ATOM 919 CG GLU A 61 66.969 -18.247 -17.359 1.00 1.00 C ATOM 920 CD GLU A 61 68.445 -18.178 -17.720 1.00 1.00 C ATOM 921 OE1 GLU A 61 69.216 -17.752 -16.875 1.00 1.00 O ATOM 922 OE2 GLU A 61 68.787 -18.554 -18.828 1.00 1.00 O ATOM 0 H GLU A 61 64.829 -15.578 -17.213 1.00 1.00 H new ATOM 0 HA GLU A 61 64.854 -18.205 -15.999 1.00 1.00 H new ATOM 0 HB2 GLU A 61 66.768 -16.145 -16.954 1.00 1.00 H new ATOM 0 HB3 GLU A 61 67.314 -17.087 -15.581 1.00 1.00 H new ATOM 0 HG2 GLU A 61 66.745 -19.197 -16.875 1.00 1.00 H new ATOM 0 HG3 GLU A 61 66.359 -18.197 -18.261 1.00 1.00 H new ATOM 929 N VAL A 62 64.600 -15.547 -14.234 1.00 1.00 N ATOM 930 CA VAL A 62 64.565 -15.004 -12.877 1.00 1.00 C ATOM 931 C VAL A 62 64.130 -16.070 -11.930 1.00 1.00 C ATOM 932 O VAL A 62 64.738 -16.264 -10.884 1.00 1.00 O ATOM 933 CB VAL A 62 63.600 -13.810 -12.748 1.00 1.00 C ATOM 934 CG1 VAL A 62 64.175 -12.590 -13.466 1.00 1.00 C ATOM 935 CG2 VAL A 62 62.227 -14.168 -13.336 1.00 1.00 C ATOM 0 H VAL A 62 64.194 -14.942 -14.948 1.00 1.00 H new ATOM 0 HA VAL A 62 65.570 -14.654 -12.642 1.00 1.00 H new ATOM 0 HB VAL A 62 63.477 -13.573 -11.691 1.00 1.00 H new ATOM 0 HG11 VAL A 62 63.485 -11.752 -13.369 1.00 1.00 H new ATOM 0 HG12 VAL A 62 65.134 -12.324 -13.021 1.00 1.00 H new ATOM 0 HG13 VAL A 62 64.317 -12.822 -14.521 1.00 1.00 H new ATOM 0 HG21 VAL A 62 61.556 -13.315 -13.238 1.00 1.00 H new ATOM 0 HG22 VAL A 62 62.338 -14.423 -14.390 1.00 1.00 H new ATOM 0 HG23 VAL A 62 61.812 -15.020 -12.798 1.00 1.00 H new ATOM 945 N ALA A 63 63.115 -16.810 -12.296 1.00 1.00 N ATOM 946 CA ALA A 63 62.694 -17.866 -11.461 1.00 1.00 C ATOM 947 C ALA A 63 63.766 -18.938 -11.487 1.00 1.00 C ATOM 948 O ALA A 63 64.225 -19.391 -10.437 1.00 1.00 O ATOM 949 CB ALA A 63 61.381 -18.437 -11.995 1.00 1.00 C ATOM 0 H ALA A 63 62.582 -16.691 -13.157 1.00 1.00 H new ATOM 0 HA ALA A 63 62.538 -17.513 -10.442 1.00 1.00 H new ATOM 0 HB1 ALA A 63 61.052 -19.254 -11.353 1.00 1.00 H new ATOM 0 HB2 ALA A 63 60.622 -17.655 -12.006 1.00 1.00 H new ATOM 0 HB3 ALA A 63 61.532 -18.810 -13.008 1.00 1.00 H new ATOM 955 N HIS A 64 64.227 -19.268 -12.709 1.00 1.00 N ATOM 956 CA HIS A 64 65.285 -20.278 -12.856 1.00 1.00 C ATOM 957 C HIS A 64 66.535 -19.897 -12.030 1.00 1.00 C ATOM 958 O HIS A 64 66.912 -20.611 -11.108 1.00 1.00 O ATOM 959 CB HIS A 64 65.627 -20.419 -14.353 1.00 1.00 C ATOM 960 CG HIS A 64 65.929 -21.851 -14.720 1.00 1.00 C ATOM 961 ND1 HIS A 64 66.620 -22.712 -13.884 1.00 1.00 N ATOM 962 CD2 HIS A 64 65.613 -22.588 -15.838 1.00 1.00 C ATOM 963 CE1 HIS A 64 66.693 -23.908 -14.504 1.00 1.00 C ATOM 964 NE2 HIS A 64 66.094 -23.886 -15.697 1.00 1.00 N ATOM 0 H HIS A 64 63.893 -18.862 -13.583 1.00 1.00 H new ATOM 0 HA HIS A 64 64.932 -21.236 -12.473 1.00 1.00 H new ATOM 0 HB2 HIS A 64 64.792 -20.057 -14.953 1.00 1.00 H new ATOM 0 HB3 HIS A 64 66.487 -19.792 -14.591 1.00 1.00 H new ATOM 0 HD2 HIS A 64 65.073 -22.215 -16.696 1.00 1.00 H new ATOM 0 HE1 HIS A 64 67.177 -24.778 -14.086 1.00 1.00 H new ATOM 0 HE2 HIS A 64 66.008 -24.655 -16.362 1.00 1.00 H new ATOM 972 N ASP A 65 67.145 -18.757 -12.316 1.00 1.00 N ATOM 973 CA ASP A 65 68.303 -18.323 -11.545 1.00 1.00 C ATOM 974 C ASP A 65 67.873 -18.011 -10.092 1.00 1.00 C ATOM 975 O ASP A 65 68.396 -18.589 -9.118 1.00 1.00 O ATOM 976 CB ASP A 65 68.883 -17.082 -12.222 1.00 1.00 C ATOM 977 CG ASP A 65 70.304 -16.809 -11.744 1.00 1.00 C ATOM 978 OD1 ASP A 65 71.208 -17.480 -12.218 1.00 1.00 O ATOM 979 OD2 ASP A 65 70.472 -15.922 -10.925 1.00 1.00 O ATOM 0 H ASP A 65 66.864 -18.123 -13.064 1.00 1.00 H new ATOM 0 HA ASP A 65 69.061 -19.106 -11.509 1.00 1.00 H new ATOM 0 HB2 ASP A 65 68.880 -17.219 -13.303 1.00 1.00 H new ATOM 0 HB3 ASP A 65 68.252 -16.219 -12.008 1.00 1.00 H new ATOM 984 N GLY A 66 66.872 -17.130 -9.943 1.00 1.00 N ATOM 985 CA GLY A 66 66.314 -16.769 -8.631 1.00 1.00 C ATOM 986 C GLY A 66 65.677 -17.983 -7.967 1.00 1.00 C ATOM 987 O GLY A 66 64.756 -17.866 -7.164 1.00 1.00 O ATOM 0 H GLY A 66 66.428 -16.649 -10.726 1.00 1.00 H new ATOM 0 HA2 GLY A 66 67.102 -16.370 -7.992 1.00 1.00 H new ATOM 0 HA3 GLY A 66 65.570 -15.981 -8.750 1.00 1.00 H new ATOM 991 N ARG A 67 66.259 -19.129 -8.246 1.00 1.00 N ATOM 992 CA ARG A 67 65.875 -20.380 -7.657 1.00 1.00 C ATOM 993 C ARG A 67 66.397 -20.440 -6.234 1.00 1.00 C ATOM 994 O ARG A 67 66.266 -21.472 -5.591 1.00 1.00 O ATOM 995 CB ARG A 67 66.411 -21.580 -8.480 1.00 1.00 C ATOM 996 CG ARG A 67 65.354 -22.062 -9.463 1.00 1.00 C ATOM 997 CD ARG A 67 64.205 -22.738 -8.689 1.00 1.00 C ATOM 998 NE ARG A 67 62.966 -22.127 -9.096 1.00 1.00 N ATOM 999 CZ ARG A 67 62.553 -22.242 -10.343 1.00 1.00 C ATOM 1000 NH1 ARG A 67 63.275 -22.910 -11.201 1.00 1.00 N ATOM 1001 NH2 ARG A 67 61.450 -21.665 -10.717 1.00 1.00 N ATOM 0 H ARG A 67 67.032 -19.212 -8.907 1.00 1.00 H new ATOM 0 HA ARG A 67 64.787 -20.446 -7.654 1.00 1.00 H new ATOM 0 HB2 ARG A 67 67.312 -21.286 -9.019 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.691 -22.393 -7.810 1.00 1.00 H new ATOM 0 HG2 ARG A 67 64.972 -21.222 -10.043 1.00 1.00 H new ATOM 0 HG3 ARG A 67 65.793 -22.765 -10.171 1.00 1.00 H new ATOM 0 HD2 ARG A 67 64.186 -23.808 -8.895 1.00 1.00 H new ATOM 0 HD3 ARG A 67 64.351 -22.622 -7.615 1.00 1.00 H new ATOM 0 HE ARG A 67 62.408 -21.605 -8.420 1.00 1.00 H new ATOM 0 HH11 ARG A 67 64.152 -23.339 -10.905 1.00 1.00 H new ATOM 0 HH12 ARG A 67 62.962 -23.003 -12.167 1.00 1.00 H new ATOM 0 HH21 ARG A 67 60.905 -21.124 -10.046 1.00 1.00 H new ATOM 0 HH22 ARG A 67 61.130 -21.753 -11.681 1.00 1.00 H new ATOM 1015 N LEU A 68 67.064 -19.354 -5.773 1.00 1.00 N ATOM 1016 CA LEU A 68 67.660 -19.351 -4.395 1.00 1.00 C ATOM 1017 C LEU A 68 66.729 -20.186 -3.506 1.00 1.00 C ATOM 1018 O LEU A 68 67.153 -20.871 -2.591 1.00 1.00 O ATOM 1019 CB LEU A 68 67.787 -17.920 -3.775 1.00 1.00 C ATOM 1020 CG LEU A 68 69.146 -17.301 -4.141 1.00 1.00 C ATOM 1021 CD1 LEU A 68 69.230 -17.154 -5.650 1.00 1.00 C ATOM 1022 CD2 LEU A 68 69.314 -15.911 -3.491 1.00 1.00 C ATOM 0 H LEU A 68 67.205 -18.495 -6.304 1.00 1.00 H new ATOM 0 HA LEU A 68 68.671 -19.755 -4.458 1.00 1.00 H new ATOM 0 HB2 LEU A 68 66.980 -17.285 -4.140 1.00 1.00 H new ATOM 0 HB3 LEU A 68 67.684 -17.975 -2.691 1.00 1.00 H new ATOM 0 HG LEU A 68 69.937 -17.955 -3.773 1.00 1.00 H new ATOM 0 HD11 LEU A 68 70.191 -16.716 -5.920 1.00 1.00 H new ATOM 0 HD12 LEU A 68 69.134 -18.134 -6.117 1.00 1.00 H new ATOM 0 HD13 LEU A 68 68.425 -16.506 -5.998 1.00 1.00 H new ATOM 0 HD21 LEU A 68 70.284 -15.496 -3.766 1.00 1.00 H new ATOM 0 HD22 LEU A 68 68.523 -15.248 -3.841 1.00 1.00 H new ATOM 0 HD23 LEU A 68 69.255 -16.007 -2.407 1.00 1.00 H new ATOM 1034 N LEU A 69 65.453 -20.195 -3.840 1.00 1.00 N ATOM 1035 CA LEU A 69 64.551 -21.063 -3.075 1.00 1.00 C ATOM 1036 C LEU A 69 65.029 -22.526 -3.279 1.00 1.00 C ATOM 1037 O LEU A 69 65.542 -23.147 -2.350 1.00 1.00 O ATOM 1038 CB LEU A 69 63.112 -20.904 -3.582 1.00 1.00 C ATOM 1039 CG LEU A 69 62.103 -21.317 -2.493 1.00 1.00 C ATOM 1040 CD1 LEU A 69 61.832 -20.145 -1.537 1.00 1.00 C ATOM 1041 CD2 LEU A 69 60.785 -21.714 -3.156 1.00 1.00 C ATOM 0 H LEU A 69 65.026 -19.650 -4.589 1.00 1.00 H new ATOM 0 HA LEU A 69 64.568 -20.797 -2.018 1.00 1.00 H new ATOM 0 HB2 LEU A 69 62.936 -19.869 -3.874 1.00 1.00 H new ATOM 0 HB3 LEU A 69 62.965 -21.516 -4.472 1.00 1.00 H new ATOM 0 HG LEU A 69 62.520 -22.153 -1.931 1.00 1.00 H new ATOM 0 HD11 LEU A 69 61.117 -20.455 -0.775 1.00 1.00 H new ATOM 0 HD12 LEU A 69 62.764 -19.842 -1.059 1.00 1.00 H new ATOM 0 HD13 LEU A 69 61.422 -19.305 -2.098 1.00 1.00 H new ATOM 0 HD21 LEU A 69 60.067 -22.007 -2.391 1.00 1.00 H new ATOM 0 HD22 LEU A 69 60.391 -20.867 -3.718 1.00 1.00 H new ATOM 0 HD23 LEU A 69 60.956 -22.551 -3.833 1.00 1.00 H new ATOM 1053 N ALA A 70 64.934 -23.039 -4.526 1.00 1.00 N ATOM 1054 CA ALA A 70 65.455 -24.389 -4.822 1.00 1.00 C ATOM 1055 C ALA A 70 66.982 -24.262 -4.881 1.00 1.00 C ATOM 1056 O ALA A 70 67.678 -24.781 -4.025 1.00 1.00 O ATOM 1057 CB ALA A 70 64.893 -24.898 -6.163 1.00 1.00 C ATOM 0 H ALA A 70 64.515 -22.555 -5.320 1.00 1.00 H new ATOM 0 HA ALA A 70 65.155 -25.107 -4.059 1.00 1.00 H new ATOM 0 HB1 ALA A 70 65.286 -25.894 -6.368 1.00 1.00 H new ATOM 0 HB2 ALA A 70 63.805 -24.941 -6.109 1.00 1.00 H new ATOM 0 HB3 ALA A 70 65.190 -24.220 -6.963 1.00 1.00 H new ATOM 1063 N ALA A 71 67.490 -23.569 -5.909 1.00 1.00 N ATOM 1064 CA ALA A 71 68.930 -23.318 -6.124 1.00 1.00 C ATOM 1065 C ALA A 71 69.652 -22.840 -4.880 1.00 1.00 C ATOM 1066 O ALA A 71 70.814 -22.454 -4.969 1.00 1.00 O ATOM 1067 CB ALA A 71 69.138 -22.297 -7.239 1.00 1.00 C ATOM 0 H ALA A 71 66.902 -23.156 -6.633 1.00 1.00 H new ATOM 0 HA ALA A 71 69.358 -24.281 -6.403 1.00 1.00 H new ATOM 0 HB1 ALA A 71 70.205 -22.126 -7.382 1.00 1.00 H new ATOM 0 HB2 ALA A 71 68.704 -22.676 -8.165 1.00 1.00 H new ATOM 0 HB3 ALA A 71 68.653 -21.359 -6.968 1.00 1.00 H new ATOM 1073 N HIS A 72 68.935 -22.759 -3.770 1.00 1.00 N ATOM 1074 CA HIS A 72 69.463 -22.200 -2.526 1.00 1.00 C ATOM 1075 C HIS A 72 70.983 -22.172 -2.468 1.00 1.00 C ATOM 1076 O HIS A 72 71.576 -21.139 -2.779 1.00 1.00 O ATOM 1077 CB HIS A 72 68.901 -23.084 -1.381 1.00 1.00 C ATOM 1078 CG HIS A 72 68.816 -24.561 -1.811 1.00 1.00 C ATOM 1079 ND1 HIS A 72 67.690 -25.334 -1.539 1.00 1.00 N ATOM 1080 CD2 HIS A 72 69.655 -25.408 -2.535 1.00 1.00 C ATOM 1081 CE1 HIS A 72 67.876 -26.557 -2.083 1.00 1.00 C ATOM 1082 NE2 HIS A 72 69.053 -26.651 -2.697 1.00 1.00 N ATOM 0 H HIS A 72 67.969 -23.078 -3.702 1.00 1.00 H new ATOM 0 HA HIS A 72 69.155 -21.158 -2.443 1.00 1.00 H new ATOM 0 HB2 HIS A 72 69.539 -22.994 -0.502 1.00 1.00 H new ATOM 0 HB3 HIS A 72 67.911 -22.728 -1.095 1.00 1.00 H new ATOM 0 HD2 HIS A 72 70.630 -25.138 -2.914 1.00 1.00 H new ATOM 0 HE1 HIS A 72 67.157 -27.361 -2.026 1.00 1.00 H new ATOM 0 HE2 HIS A 72 69.433 -27.463 -3.183 1.00 1.00 H new ATOM 1090 N MET A 73 71.619 -23.250 -2.115 1.00 1.00 N ATOM 1091 CA MET A 73 73.062 -23.262 -2.085 1.00 1.00 C ATOM 1092 C MET A 73 73.643 -23.313 -3.501 1.00 1.00 C ATOM 1093 O MET A 73 74.673 -22.689 -3.760 1.00 1.00 O ATOM 1094 CB MET A 73 73.527 -24.446 -1.237 1.00 1.00 C ATOM 1095 CG MET A 73 73.528 -24.031 0.240 1.00 1.00 C ATOM 1096 SD MET A 73 71.886 -23.405 0.691 1.00 1.00 S ATOM 1097 CE MET A 73 71.378 -24.786 1.742 1.00 1.00 C ATOM 0 H MET A 73 71.172 -24.127 -1.845 1.00 1.00 H new ATOM 0 HA MET A 73 73.427 -22.339 -1.634 1.00 1.00 H new ATOM 0 HB2 MET A 73 72.867 -25.300 -1.388 1.00 1.00 H new ATOM 0 HB3 MET A 73 74.526 -24.758 -1.541 1.00 1.00 H new ATOM 0 HG2 MET A 73 73.790 -24.882 0.868 1.00 1.00 H new ATOM 0 HG3 MET A 73 74.282 -23.263 0.413 1.00 1.00 H new ATOM 0 HE1 MET A 73 70.377 -24.599 2.130 1.00 1.00 H new ATOM 0 HE2 MET A 73 71.375 -25.706 1.158 1.00 1.00 H new ATOM 0 HE3 MET A 73 72.076 -24.887 2.573 1.00 1.00 H new ATOM 1107 N VAL A 74 73.059 -24.125 -4.392 1.00 1.00 N ATOM 1108 CA VAL A 74 73.652 -24.292 -5.716 1.00 1.00 C ATOM 1109 C VAL A 74 74.070 -22.922 -6.297 1.00 1.00 C ATOM 1110 O VAL A 74 75.156 -22.823 -6.868 1.00 1.00 O ATOM 1111 CB VAL A 74 72.698 -25.089 -6.666 1.00 1.00 C ATOM 1112 CG1 VAL A 74 71.652 -25.864 -5.855 1.00 1.00 C ATOM 1113 CG2 VAL A 74 71.967 -24.157 -7.617 1.00 1.00 C ATOM 0 H VAL A 74 72.206 -24.658 -4.225 1.00 1.00 H new ATOM 0 HA VAL A 74 74.559 -24.890 -5.623 1.00 1.00 H new ATOM 0 HB VAL A 74 73.318 -25.781 -7.237 1.00 1.00 H new ATOM 0 HG11 VAL A 74 70.998 -26.412 -6.534 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.155 -26.566 -5.190 1.00 1.00 H new ATOM 0 HG13 VAL A 74 71.059 -25.166 -5.264 1.00 1.00 H new ATOM 0 HG21 VAL A 74 71.312 -24.739 -8.265 1.00 1.00 H new ATOM 0 HG22 VAL A 74 71.372 -23.446 -7.044 1.00 1.00 H new ATOM 0 HG23 VAL A 74 72.692 -23.617 -8.226 1.00 1.00 H new ATOM 1123 N ASN A 75 73.233 -21.874 -6.135 1.00 1.00 N ATOM 1124 CA ASN A 75 73.540 -20.506 -6.608 1.00 1.00 C ATOM 1125 C ASN A 75 75.019 -20.166 -6.382 1.00 1.00 C ATOM 1126 O ASN A 75 75.598 -19.288 -7.019 1.00 1.00 O ATOM 1127 CB ASN A 75 72.663 -19.554 -5.818 1.00 1.00 C ATOM 1128 CG ASN A 75 72.844 -18.125 -6.299 1.00 1.00 C ATOM 1129 OD1 ASN A 75 72.361 -17.760 -7.372 1.00 1.00 O ATOM 1130 ND2 ASN A 75 73.514 -17.286 -5.560 1.00 1.00 N ATOM 0 H ASN A 75 72.327 -21.952 -5.673 1.00 1.00 H new ATOM 0 HA ASN A 75 73.347 -20.425 -7.678 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.618 -19.847 -5.920 1.00 1.00 H new ATOM 0 HB3 ASN A 75 72.911 -19.619 -4.759 1.00 1.00 H new ATOM 0 HD21 ASN A 75 73.640 -16.322 -5.869 1.00 1.00 H new ATOM 0 HD22 ASN A 75 73.912 -17.593 -4.672 1.00 1.00 H new ATOM 1137 N GLY A 76 75.612 -20.951 -5.514 1.00 1.00 N ATOM 1138 CA GLY A 76 77.045 -20.851 -5.217 1.00 1.00 C ATOM 1139 C GLY A 76 77.823 -20.677 -6.562 1.00 1.00 C ATOM 1140 O GLY A 76 78.995 -20.308 -6.590 1.00 1.00 O ATOM 0 H GLY A 76 75.128 -21.679 -4.989 1.00 1.00 H new ATOM 0 HA2 GLY A 76 77.236 -20.005 -4.557 1.00 1.00 H new ATOM 0 HA3 GLY A 76 77.386 -21.745 -4.696 1.00 1.00 H new ATOM 1144 N ILE A 77 77.135 -20.987 -7.670 1.00 1.00 N ATOM 1145 CA ILE A 77 77.744 -20.886 -9.019 1.00 1.00 C ATOM 1146 C ILE A 77 77.490 -19.478 -9.560 1.00 1.00 C ATOM 1147 O ILE A 77 78.336 -18.904 -10.234 1.00 1.00 O ATOM 1148 CB ILE A 77 77.257 -22.001 -9.978 1.00 1.00 C ATOM 1149 CG1 ILE A 77 75.714 -21.968 -10.129 1.00 1.00 C ATOM 1150 CG2 ILE A 77 77.724 -23.372 -9.447 1.00 1.00 C ATOM 1151 CD1 ILE A 77 75.330 -21.139 -11.370 1.00 1.00 C ATOM 0 H ILE A 77 76.167 -21.307 -7.668 1.00 1.00 H new ATOM 0 HA ILE A 77 78.819 -21.046 -8.942 1.00 1.00 H new ATOM 0 HB ILE A 77 77.688 -21.833 -10.965 1.00 1.00 H new ATOM 0 HG12 ILE A 77 75.327 -22.982 -10.224 1.00 1.00 H new ATOM 0 HG13 ILE A 77 75.261 -21.536 -9.237 1.00 1.00 H new ATOM 0 HG21 ILE A 77 77.383 -24.158 -10.120 1.00 1.00 H new ATOM 0 HG22 ILE A 77 78.812 -23.389 -9.392 1.00 1.00 H new ATOM 0 HG23 ILE A 77 77.307 -23.539 -8.454 1.00 1.00 H new ATOM 0 HD11 ILE A 77 74.245 -21.118 -11.472 1.00 1.00 H new ATOM 0 HD12 ILE A 77 75.703 -20.121 -11.257 1.00 1.00 H new ATOM 0 HD13 ILE A 77 75.770 -21.590 -12.259 1.00 1.00 H new ATOM 1163 N VAL A 78 76.251 -19.010 -9.423 1.00 1.00 N ATOM 1164 CA VAL A 78 75.861 -17.735 -9.995 1.00 1.00 C ATOM 1165 C VAL A 78 77.086 -16.754 -9.926 1.00 1.00 C ATOM 1166 O VAL A 78 77.245 -15.883 -10.784 1.00 1.00 O ATOM 1167 CB VAL A 78 74.620 -17.224 -9.205 1.00 1.00 C ATOM 1168 CG1 VAL A 78 74.852 -15.834 -8.608 1.00 1.00 C ATOM 1169 CG2 VAL A 78 73.380 -17.193 -10.109 1.00 1.00 C ATOM 0 H VAL A 78 75.507 -19.496 -8.922 1.00 1.00 H new ATOM 0 HA VAL A 78 75.581 -17.817 -11.045 1.00 1.00 H new ATOM 0 HB VAL A 78 74.457 -17.922 -8.384 1.00 1.00 H new ATOM 0 HG11 VAL A 78 73.961 -15.517 -8.066 1.00 1.00 H new ATOM 0 HG12 VAL A 78 75.700 -15.869 -7.924 1.00 1.00 H new ATOM 0 HG13 VAL A 78 75.061 -15.124 -9.409 1.00 1.00 H new ATOM 0 HG21 VAL A 78 72.523 -16.833 -9.539 1.00 1.00 H new ATOM 0 HG22 VAL A 78 73.561 -16.526 -10.952 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.174 -18.198 -10.479 1.00 1.00 H new ATOM 1179 N ILE A 79 77.962 -16.987 -8.915 1.00 1.00 N ATOM 1180 CA ILE A 79 79.227 -16.220 -8.685 1.00 1.00 C ATOM 1181 C ILE A 79 80.439 -16.884 -9.391 1.00 1.00 C ATOM 1182 O ILE A 79 81.462 -16.245 -9.621 1.00 1.00 O ATOM 1183 CB ILE A 79 79.512 -16.076 -7.140 1.00 1.00 C ATOM 1184 CG1 ILE A 79 80.821 -16.782 -6.696 1.00 1.00 C ATOM 1185 CG2 ILE A 79 78.373 -16.694 -6.326 1.00 1.00 C ATOM 1186 CD1 ILE A 79 80.748 -18.298 -6.980 1.00 1.00 C ATOM 0 H ILE A 79 77.813 -17.722 -8.224 1.00 1.00 H new ATOM 0 HA ILE A 79 79.091 -15.229 -9.118 1.00 1.00 H new ATOM 0 HB ILE A 79 79.604 -15.005 -6.958 1.00 1.00 H new ATOM 0 HG12 ILE A 79 81.671 -16.349 -7.224 1.00 1.00 H new ATOM 0 HG13 ILE A 79 80.988 -16.614 -5.632 1.00 1.00 H new ATOM 0 HG21 ILE A 79 78.586 -16.586 -5.262 1.00 1.00 H new ATOM 0 HG22 ILE A 79 77.439 -16.185 -6.563 1.00 1.00 H new ATOM 0 HG23 ILE A 79 78.282 -17.752 -6.572 1.00 1.00 H new ATOM 0 HD11 ILE A 79 81.676 -18.773 -6.661 1.00 1.00 H new ATOM 0 HD12 ILE A 79 79.911 -18.731 -6.432 1.00 1.00 H new ATOM 0 HD13 ILE A 79 80.605 -18.462 -8.048 1.00 1.00 H new ATOM 1198 N ALA A 80 80.297 -18.143 -9.766 1.00 1.00 N ATOM 1199 CA ALA A 80 81.347 -18.871 -10.476 1.00 1.00 C ATOM 1200 C ALA A 80 81.590 -18.276 -11.871 1.00 1.00 C ATOM 1201 O ALA A 80 82.628 -18.537 -12.479 1.00 1.00 O ATOM 1202 CB ALA A 80 80.950 -20.338 -10.664 1.00 1.00 C ATOM 0 H ALA A 80 79.456 -18.692 -9.590 1.00 1.00 H new ATOM 0 HA ALA A 80 82.252 -18.791 -9.874 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.743 -20.865 -11.194 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.796 -20.801 -9.689 1.00 1.00 H new ATOM 0 HB3 ALA A 80 80.028 -20.394 -11.242 1.00 1.00 H new ATOM 1208 N GLU A 81 80.671 -17.424 -12.350 1.00 1.00 N ATOM 1209 CA GLU A 81 80.850 -16.728 -13.632 1.00 1.00 C ATOM 1210 C GLU A 81 80.772 -15.210 -13.405 1.00 1.00 C ATOM 1211 O GLU A 81 81.595 -14.438 -13.897 1.00 1.00 O ATOM 1212 CB GLU A 81 79.816 -17.208 -14.644 1.00 1.00 C ATOM 1213 CG GLU A 81 79.901 -18.740 -14.709 1.00 1.00 C ATOM 1214 CD GLU A 81 78.739 -19.314 -15.510 1.00 1.00 C ATOM 1215 OE1 GLU A 81 78.444 -18.779 -16.566 1.00 1.00 O ATOM 1216 OE2 GLU A 81 78.154 -20.280 -15.047 1.00 1.00 O ATOM 0 H GLU A 81 79.799 -17.201 -11.870 1.00 1.00 H new ATOM 0 HA GLU A 81 81.833 -16.958 -14.043 1.00 1.00 H new ATOM 0 HB2 GLU A 81 78.816 -16.893 -14.347 1.00 1.00 H new ATOM 0 HB3 GLU A 81 80.010 -16.772 -15.624 1.00 1.00 H new ATOM 0 HG2 GLU A 81 80.845 -19.037 -15.166 1.00 1.00 H new ATOM 0 HG3 GLU A 81 79.891 -19.152 -13.700 1.00 1.00 H new ATOM 1223 N ASP A 82 79.735 -14.796 -12.664 1.00 1.00 N ATOM 1224 CA ASP A 82 79.559 -13.371 -12.389 1.00 1.00 C ATOM 1225 C ASP A 82 80.787 -12.844 -11.643 1.00 1.00 C ATOM 1226 O ASP A 82 81.479 -11.947 -12.125 1.00 1.00 O ATOM 1227 CB ASP A 82 78.294 -13.102 -11.571 1.00 1.00 C ATOM 1228 CG ASP A 82 77.060 -13.432 -12.399 1.00 1.00 C ATOM 1229 OD1 ASP A 82 76.912 -14.579 -12.780 1.00 1.00 O ATOM 1230 OD2 ASP A 82 76.288 -12.521 -12.656 1.00 1.00 O ATOM 0 H ASP A 82 79.028 -15.408 -12.257 1.00 1.00 H new ATOM 0 HA ASP A 82 79.449 -12.852 -13.341 1.00 1.00 H new ATOM 0 HB2 ASP A 82 78.304 -13.703 -10.662 1.00 1.00 H new ATOM 0 HB3 ASP A 82 78.266 -12.057 -11.262 1.00 1.00 H new ATOM 1235 N ALA A 83 81.036 -13.382 -10.448 1.00 1.00 N ATOM 1236 CA ALA A 83 82.178 -12.939 -9.640 1.00 1.00 C ATOM 1237 C ALA A 83 83.448 -12.876 -10.485 1.00 1.00 C ATOM 1238 O ALA A 83 84.247 -11.963 -10.336 1.00 1.00 O ATOM 1239 CB ALA A 83 82.377 -13.894 -8.462 1.00 1.00 C ATOM 0 H ALA A 83 80.471 -14.116 -10.021 1.00 1.00 H new ATOM 0 HA ALA A 83 81.970 -11.938 -9.262 1.00 1.00 H new ATOM 0 HB1 ALA A 83 83.226 -13.562 -7.864 1.00 1.00 H new ATOM 0 HB2 ALA A 83 81.479 -13.902 -7.844 1.00 1.00 H new ATOM 0 HB3 ALA A 83 82.568 -14.899 -8.837 1.00 1.00 H new ATOM 1245 N LEU A 84 83.678 -13.916 -11.286 1.00 1.00 N ATOM 1246 CA LEU A 84 84.926 -14.046 -12.076 1.00 1.00 C ATOM 1247 C LEU A 84 85.515 -12.677 -12.431 1.00 1.00 C ATOM 1248 O LEU A 84 86.712 -12.451 -12.262 1.00 1.00 O ATOM 1249 CB LEU A 84 84.593 -14.807 -13.384 1.00 1.00 C ATOM 1250 CG LEU A 84 85.565 -15.966 -13.651 1.00 1.00 C ATOM 1251 CD1 LEU A 84 85.359 -17.098 -12.609 1.00 1.00 C ATOM 1252 CD2 LEU A 84 85.287 -16.487 -15.071 1.00 1.00 C ATOM 0 H LEU A 84 83.023 -14.687 -11.413 1.00 1.00 H new ATOM 0 HA LEU A 84 85.663 -14.584 -11.480 1.00 1.00 H new ATOM 0 HB2 LEU A 84 83.576 -15.195 -13.326 1.00 1.00 H new ATOM 0 HB3 LEU A 84 84.622 -14.112 -14.223 1.00 1.00 H new ATOM 0 HG LEU A 84 86.597 -15.624 -13.566 1.00 1.00 H new ATOM 0 HD11 LEU A 84 86.056 -17.911 -12.813 1.00 1.00 H new ATOM 0 HD12 LEU A 84 85.540 -16.708 -11.607 1.00 1.00 H new ATOM 0 HD13 LEU A 84 84.337 -17.471 -12.674 1.00 1.00 H new ATOM 0 HD21 LEU A 84 85.962 -17.313 -15.294 1.00 1.00 H new ATOM 0 HD22 LEU A 84 84.256 -16.833 -15.136 1.00 1.00 H new ATOM 0 HD23 LEU A 84 85.446 -15.684 -15.791 1.00 1.00 H new ATOM 1264 N ILE A 85 84.671 -11.763 -12.869 1.00 1.00 N ATOM 1265 CA ILE A 85 85.128 -10.408 -13.174 1.00 1.00 C ATOM 1266 C ILE A 85 84.973 -9.534 -11.926 1.00 1.00 C ATOM 1267 O ILE A 85 85.896 -8.819 -11.540 1.00 1.00 O ATOM 1268 CB ILE A 85 84.327 -9.838 -14.356 1.00 1.00 C ATOM 1269 CG1 ILE A 85 82.863 -10.283 -14.264 1.00 1.00 C ATOM 1270 CG2 ILE A 85 84.919 -10.355 -15.668 1.00 1.00 C ATOM 1271 CD1 ILE A 85 82.049 -9.576 -15.348 1.00 1.00 C ATOM 0 H ILE A 85 83.676 -11.924 -13.022 1.00 1.00 H new ATOM 0 HA ILE A 85 86.180 -10.425 -13.460 1.00 1.00 H new ATOM 0 HB ILE A 85 84.378 -8.750 -14.324 1.00 1.00 H new ATOM 0 HG12 ILE A 85 82.791 -11.364 -14.387 1.00 1.00 H new ATOM 0 HG13 ILE A 85 82.461 -10.047 -13.279 1.00 1.00 H new ATOM 0 HG21 ILE A 85 84.352 -9.952 -16.507 1.00 1.00 H new ATOM 0 HG22 ILE A 85 85.959 -10.039 -15.747 1.00 1.00 H new ATOM 0 HG23 ILE A 85 84.868 -11.444 -15.686 1.00 1.00 H new ATOM 0 HD11 ILE A 85 81.007 -9.891 -15.284 1.00 1.00 H new ATOM 0 HD12 ILE A 85 82.111 -8.497 -15.204 1.00 1.00 H new ATOM 0 HD13 ILE A 85 82.447 -9.835 -16.329 1.00 1.00 H new ATOM 1283 N ALA A 86 83.789 -9.586 -11.334 1.00 1.00 N ATOM 1284 CA ALA A 86 83.495 -8.785 -10.154 1.00 1.00 C ATOM 1285 C ALA A 86 84.624 -8.924 -9.122 1.00 1.00 C ATOM 1286 O ALA A 86 84.973 -7.964 -8.434 1.00 1.00 O ATOM 1287 CB ALA A 86 82.135 -9.203 -9.556 1.00 1.00 C ATOM 0 H ALA A 86 83.017 -10.173 -11.650 1.00 1.00 H new ATOM 0 HA ALA A 86 83.431 -7.735 -10.441 1.00 1.00 H new ATOM 0 HB1 ALA A 86 81.924 -8.598 -8.674 1.00 1.00 H new ATOM 0 HB2 ALA A 86 81.350 -9.051 -10.297 1.00 1.00 H new ATOM 0 HB3 ALA A 86 82.169 -10.255 -9.275 1.00 1.00 H new ATOM 1293 N GLU A 87 85.188 -10.122 -9.039 1.00 1.00 N ATOM 1294 CA GLU A 87 86.287 -10.401 -8.114 1.00 1.00 C ATOM 1295 C GLU A 87 87.457 -9.453 -8.388 1.00 1.00 C ATOM 1296 O GLU A 87 88.277 -9.192 -7.510 1.00 1.00 O ATOM 1297 CB GLU A 87 86.732 -11.871 -8.308 1.00 1.00 C ATOM 1298 CG GLU A 87 86.239 -12.743 -7.149 1.00 1.00 C ATOM 1299 CD GLU A 87 87.031 -12.405 -5.891 1.00 1.00 C ATOM 1300 OE1 GLU A 87 88.243 -12.549 -5.922 1.00 1.00 O ATOM 1301 OE2 GLU A 87 86.418 -11.992 -4.921 1.00 1.00 O ATOM 0 H GLU A 87 84.903 -10.922 -9.603 1.00 1.00 H new ATOM 0 HA GLU A 87 85.957 -10.248 -7.087 1.00 1.00 H new ATOM 0 HB2 GLU A 87 86.340 -12.254 -9.250 1.00 1.00 H new ATOM 0 HB3 GLU A 87 87.819 -11.922 -8.371 1.00 1.00 H new ATOM 0 HG2 GLU A 87 85.176 -12.575 -6.979 1.00 1.00 H new ATOM 0 HG3 GLU A 87 86.359 -13.798 -7.396 1.00 1.00 H new ATOM 1308 N ALA A 88 87.515 -8.937 -9.608 1.00 1.00 N ATOM 1309 CA ALA A 88 88.581 -8.009 -9.987 1.00 1.00 C ATOM 1310 C ALA A 88 88.341 -6.650 -9.328 1.00 1.00 C ATOM 1311 O ALA A 88 89.200 -5.767 -9.354 1.00 1.00 O ATOM 1312 CB ALA A 88 88.633 -7.857 -11.512 1.00 1.00 C ATOM 0 H ALA A 88 86.845 -9.140 -10.349 1.00 1.00 H new ATOM 0 HA ALA A 88 89.537 -8.406 -9.645 1.00 1.00 H new ATOM 0 HB1 ALA A 88 89.430 -7.164 -11.782 1.00 1.00 H new ATOM 0 HB2 ALA A 88 88.827 -8.828 -11.968 1.00 1.00 H new ATOM 0 HB3 ALA A 88 87.679 -7.471 -11.872 1.00 1.00 H new ATOM 1318 N VAL A 89 87.159 -6.505 -8.729 1.00 1.00 N ATOM 1319 CA VAL A 89 86.764 -5.282 -8.034 1.00 1.00 C ATOM 1320 C VAL A 89 86.825 -5.512 -6.532 1.00 1.00 C ATOM 1321 O VAL A 89 85.998 -4.989 -5.780 1.00 1.00 O ATOM 1322 CB VAL A 89 85.355 -4.856 -8.438 1.00 1.00 C ATOM 1323 CG1 VAL A 89 85.003 -3.492 -7.781 1.00 1.00 C ATOM 1324 CG2 VAL A 89 85.289 -4.744 -9.970 1.00 1.00 C ATOM 0 H VAL A 89 86.447 -7.235 -8.713 1.00 1.00 H new ATOM 0 HA VAL A 89 87.453 -4.484 -8.312 1.00 1.00 H new ATOM 0 HB VAL A 89 84.633 -5.598 -8.097 1.00 1.00 H new ATOM 0 HG11 VAL A 89 83.996 -3.196 -8.075 1.00 1.00 H new ATOM 0 HG12 VAL A 89 85.051 -3.587 -6.696 1.00 1.00 H new ATOM 0 HG13 VAL A 89 85.715 -2.735 -8.111 1.00 1.00 H new ATOM 0 HG21 VAL A 89 84.286 -4.440 -10.270 1.00 1.00 H new ATOM 0 HG22 VAL A 89 86.010 -4.002 -10.312 1.00 1.00 H new ATOM 0 HG23 VAL A 89 85.524 -5.711 -10.416 1.00 1.00 H new ATOM 1334 N GLY A 90 87.816 -6.280 -6.090 1.00 1.00 N ATOM 1335 CA GLY A 90 87.983 -6.545 -4.674 1.00 1.00 C ATOM 1336 C GLY A 90 88.367 -5.266 -3.910 1.00 1.00 C ATOM 1337 O GLY A 90 87.830 -5.024 -2.833 1.00 1.00 O ATOM 0 H GLY A 90 88.509 -6.725 -6.691 1.00 1.00 H new ATOM 0 HA2 GLY A 90 87.058 -6.952 -4.266 1.00 1.00 H new ATOM 0 HA3 GLY A 90 88.754 -7.302 -4.532 1.00 1.00 H new ATOM 1341 N PRO A 91 89.276 -4.444 -4.433 1.00 1.00 N ATOM 1342 CA PRO A 91 89.696 -3.183 -3.744 1.00 1.00 C ATOM 1343 C PRO A 91 88.511 -2.426 -3.141 1.00 1.00 C ATOM 1344 O PRO A 91 88.692 -1.542 -2.304 1.00 1.00 O ATOM 1345 CB PRO A 91 90.354 -2.368 -4.860 1.00 1.00 C ATOM 1346 CG PRO A 91 90.923 -3.388 -5.795 1.00 1.00 C ATOM 1347 CD PRO A 91 90.012 -4.627 -5.707 1.00 1.00 C ATOM 0 HA PRO A 91 90.359 -3.379 -2.901 1.00 1.00 H new ATOM 0 HB2 PRO A 91 89.628 -1.730 -5.365 1.00 1.00 H new ATOM 0 HB3 PRO A 91 91.133 -1.715 -4.466 1.00 1.00 H new ATOM 0 HG2 PRO A 91 90.955 -3.003 -6.814 1.00 1.00 H new ATOM 0 HG3 PRO A 91 91.946 -3.640 -5.517 1.00 1.00 H new ATOM 0 HD2 PRO A 91 89.331 -4.682 -6.556 1.00 1.00 H new ATOM 0 HD3 PRO A 91 90.593 -5.549 -5.703 1.00 1.00 H new ATOM 1355 N HIS A 92 87.317 -2.797 -3.571 1.00 1.00 N ATOM 1356 CA HIS A 92 86.102 -2.172 -3.077 1.00 1.00 C ATOM 1357 C HIS A 92 86.017 -2.393 -1.582 1.00 1.00 C ATOM 1358 O HIS A 92 85.251 -1.739 -0.895 1.00 1.00 O ATOM 1359 CB HIS A 92 84.856 -2.774 -3.753 1.00 1.00 C ATOM 1360 CG HIS A 92 84.394 -3.991 -2.983 1.00 1.00 C ATOM 1361 ND1 HIS A 92 85.188 -5.119 -2.852 1.00 1.00 N ATOM 1362 CD2 HIS A 92 83.274 -4.230 -2.222 1.00 1.00 C ATOM 1363 CE1 HIS A 92 84.548 -5.973 -2.034 1.00 1.00 C ATOM 1364 NE2 HIS A 92 83.375 -5.480 -1.623 1.00 1.00 N ATOM 0 H HIS A 92 87.163 -3.530 -4.263 1.00 1.00 H new ATOM 0 HA HIS A 92 86.134 -1.107 -3.307 1.00 1.00 H new ATOM 0 HB2 HIS A 92 84.058 -2.032 -3.792 1.00 1.00 H new ATOM 0 HB3 HIS A 92 85.086 -3.049 -4.782 1.00 1.00 H new ATOM 0 HD1 HIS A 92 86.093 -5.273 -3.295 1.00 1.00 H new ATOM 0 HD2 HIS A 92 82.443 -3.550 -2.107 1.00 1.00 H new ATOM 0 HE1 HIS A 92 84.934 -6.939 -1.744 1.00 1.00 H new ATOM 1372 N LEU A 93 86.814 -3.325 -1.085 1.00 1.00 N ATOM 1373 CA LEU A 93 86.809 -3.611 0.335 1.00 1.00 C ATOM 1374 C LEU A 93 87.498 -2.463 1.072 1.00 1.00 C ATOM 1375 O LEU A 93 86.903 -1.818 1.930 1.00 1.00 O ATOM 1376 CB LEU A 93 87.508 -4.958 0.599 1.00 1.00 C ATOM 1377 CG LEU A 93 88.949 -4.969 -0.006 1.00 1.00 C ATOM 1378 CD1 LEU A 93 90.006 -4.666 1.085 1.00 1.00 C ATOM 1379 CD2 LEU A 93 89.261 -6.348 -0.625 1.00 1.00 C ATOM 0 H LEU A 93 87.462 -3.887 -1.636 1.00 1.00 H new ATOM 0 HA LEU A 93 85.786 -3.694 0.703 1.00 1.00 H new ATOM 0 HB2 LEU A 93 87.559 -5.141 1.672 1.00 1.00 H new ATOM 0 HB3 LEU A 93 86.921 -5.768 0.165 1.00 1.00 H new ATOM 0 HG LEU A 93 88.991 -4.199 -0.776 1.00 1.00 H new ATOM 0 HD11 LEU A 93 91.001 -4.679 0.641 1.00 1.00 H new ATOM 0 HD12 LEU A 93 89.813 -3.683 1.515 1.00 1.00 H new ATOM 0 HD13 LEU A 93 89.948 -5.422 1.868 1.00 1.00 H new ATOM 0 HD21 LEU A 93 90.268 -6.340 -1.042 1.00 1.00 H new ATOM 0 HD22 LEU A 93 89.193 -7.116 0.145 1.00 1.00 H new ATOM 0 HD23 LEU A 93 88.542 -6.563 -1.416 1.00 1.00 H new ATOM 1391 N ALA A 94 88.757 -2.205 0.721 1.00 1.00 N ATOM 1392 CA ALA A 94 89.512 -1.133 1.349 1.00 1.00 C ATOM 1393 C ALA A 94 88.807 0.192 1.135 1.00 1.00 C ATOM 1394 O ALA A 94 88.473 0.896 2.095 1.00 1.00 O ATOM 1395 CB ALA A 94 90.912 -1.076 0.737 1.00 1.00 C ATOM 0 H ALA A 94 89.270 -2.724 0.008 1.00 1.00 H new ATOM 0 HA ALA A 94 89.588 -1.324 2.419 1.00 1.00 H new ATOM 0 HB1 ALA A 94 91.481 -0.273 1.205 1.00 1.00 H new ATOM 0 HB2 ALA A 94 91.420 -2.026 0.903 1.00 1.00 H new ATOM 0 HB3 ALA A 94 90.834 -0.888 -0.334 1.00 1.00 H new ATOM 1401 N ARG A 95 88.558 0.521 -0.133 1.00 1.00 N ATOM 1402 CA ARG A 95 87.863 1.757 -0.450 1.00 1.00 C ATOM 1403 C ARG A 95 86.583 1.768 0.360 1.00 1.00 C ATOM 1404 O ARG A 95 86.307 2.672 1.162 1.00 1.00 O ATOM 1405 CB ARG A 95 87.538 1.800 -1.957 1.00 1.00 C ATOM 1406 CG ARG A 95 86.557 2.962 -2.308 1.00 1.00 C ATOM 1407 CD ARG A 95 85.684 2.592 -3.529 1.00 1.00 C ATOM 1408 NE ARG A 95 86.367 2.934 -4.773 1.00 1.00 N ATOM 1409 CZ ARG A 95 86.172 2.247 -5.906 1.00 1.00 C ATOM 1410 NH1 ARG A 95 85.403 1.186 -5.926 1.00 1.00 N ATOM 1411 NH2 ARG A 95 86.754 2.647 -7.002 1.00 1.00 N ATOM 0 H ARG A 95 88.824 -0.043 -0.940 1.00 1.00 H new ATOM 0 HA ARG A 95 88.478 2.625 -0.211 1.00 1.00 H new ATOM 0 HB2 ARG A 95 88.461 1.920 -2.524 1.00 1.00 H new ATOM 0 HB3 ARG A 95 87.099 0.850 -2.261 1.00 1.00 H new ATOM 0 HG2 ARG A 95 85.919 3.177 -1.451 1.00 1.00 H new ATOM 0 HG3 ARG A 95 87.122 3.870 -2.521 1.00 1.00 H new ATOM 0 HD2 ARG A 95 85.460 1.525 -3.512 1.00 1.00 H new ATOM 0 HD3 ARG A 95 84.731 3.119 -3.474 1.00 1.00 H new ATOM 0 HE ARG A 95 87.014 3.722 -4.780 1.00 1.00 H new ATOM 0 HH11 ARG A 95 84.943 0.873 -5.071 1.00 1.00 H new ATOM 0 HH12 ARG A 95 85.264 0.673 -6.797 1.00 1.00 H new ATOM 0 HH21 ARG A 95 87.350 3.475 -6.990 1.00 1.00 H new ATOM 0 HH22 ARG A 95 86.613 2.132 -7.871 1.00 1.00 H new ATOM 1425 N ALA A 96 85.725 0.792 0.181 1.00 1.00 N ATOM 1426 CA ALA A 96 84.494 0.833 0.901 1.00 1.00 C ATOM 1427 C ALA A 96 84.689 1.164 2.363 1.00 1.00 C ATOM 1428 O ALA A 96 83.714 1.167 3.095 1.00 1.00 O ATOM 1429 CB ALA A 96 83.633 -0.391 0.659 1.00 1.00 C ATOM 0 H ALA A 96 85.856 -0.010 -0.436 1.00 1.00 H new ATOM 0 HA ALA A 96 83.922 1.666 0.492 1.00 1.00 H new ATOM 0 HB1 ALA A 96 82.710 -0.305 1.232 1.00 1.00 H new ATOM 0 HB2 ALA A 96 83.396 -0.465 -0.402 1.00 1.00 H new ATOM 0 HB3 ALA A 96 84.173 -1.284 0.973 1.00 1.00 H new ATOM 1435 N LEU A 97 85.980 1.206 2.790 1.00 1.00 N ATOM 1436 CA LEU A 97 86.389 1.287 4.192 1.00 1.00 C ATOM 1437 C LEU A 97 85.179 1.247 5.101 1.00 1.00 C ATOM 1438 O LEU A 97 85.143 0.391 5.976 1.00 1.00 O ATOM 1439 CB LEU A 97 87.079 2.672 4.349 1.00 1.00 C ATOM 1440 CG LEU A 97 88.414 2.591 5.076 1.00 1.00 C ATOM 1441 CD1 LEU A 97 89.105 3.945 4.900 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.179 2.317 6.574 1.00 1.00 C ATOM 0 H LEU A 97 86.770 1.183 2.145 1.00 1.00 H new ATOM 0 HA LEU A 97 87.042 0.455 4.456 1.00 1.00 H new ATOM 0 HB2 LEU A 97 87.234 3.108 3.362 1.00 1.00 H new ATOM 0 HB3 LEU A 97 86.415 3.343 4.893 1.00 1.00 H new ATOM 0 HG LEU A 97 89.027 1.785 4.673 1.00 1.00 H new ATOM 0 HD11 LEU A 97 90.069 3.930 5.408 1.00 1.00 H new ATOM 0 HD12 LEU A 97 89.257 4.141 3.839 1.00 1.00 H new ATOM 0 HD13 LEU A 97 88.482 4.730 5.328 1.00 1.00 H new ATOM 0 HD21 LEU A 97 89.138 2.260 7.088 1.00 1.00 H new ATOM 0 HD22 LEU A 97 87.585 3.124 7.003 1.00 1.00 H new ATOM 0 HD23 LEU A 97 87.648 1.373 6.692 1.00 1.00 H new ATOM 1454 N GLY A 98 84.153 2.031 4.923 1.00 1.00 N ATOM 1455 CA GLY A 98 82.994 1.860 5.729 1.00 1.00 C ATOM 1456 C GLY A 98 82.574 0.402 5.640 1.00 1.00 C ATOM 1457 O GLY A 98 81.814 -0.071 6.454 1.00 1.00 O ATOM 0 H GLY A 98 84.102 2.782 4.235 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.204 2.134 6.763 1.00 1.00 H new ATOM 0 HA3 GLY A 98 82.190 2.510 5.384 1.00 1.00 H new ATOM 1461 N GLN A 99 83.060 -0.332 4.629 1.00 1.00 N ATOM 1462 CA GLN A 99 82.676 -1.741 4.565 1.00 1.00 C ATOM 1463 C GLN A 99 83.444 -2.460 5.651 1.00 1.00 C ATOM 1464 O GLN A 99 83.018 -3.489 6.181 1.00 1.00 O ATOM 1465 CB GLN A 99 82.996 -2.347 3.212 1.00 1.00 C ATOM 1466 CG GLN A 99 82.461 -3.765 3.146 1.00 1.00 C ATOM 1467 CD GLN A 99 80.938 -3.721 3.111 1.00 1.00 C ATOM 1468 OE1 GLN A 99 80.357 -3.139 2.192 1.00 1.00 O ATOM 1469 NE2 GLN A 99 80.254 -4.281 4.065 1.00 1.00 N ATOM 0 H GLN A 99 83.680 0.001 3.890 1.00 1.00 H new ATOM 0 HA GLN A 99 81.600 -1.838 4.708 1.00 1.00 H new ATOM 0 HB2 GLN A 99 82.553 -1.744 2.419 1.00 1.00 H new ATOM 0 HB3 GLN A 99 84.074 -2.347 3.049 1.00 1.00 H new ATOM 0 HG2 GLN A 99 82.843 -4.270 2.259 1.00 1.00 H new ATOM 0 HG3 GLN A 99 82.801 -4.336 4.010 1.00 1.00 H new ATOM 0 HE21 GLN A 99 80.737 -4.762 4.824 1.00 1.00 H new ATOM 0 HE22 GLN A 99 79.235 -4.239 4.054 1.00 1.00 H new ATOM 1478 N ILE A 100 84.584 -1.868 6.007 1.00 1.00 N ATOM 1479 CA ILE A 100 85.433 -2.431 7.076 1.00 1.00 C ATOM 1480 C ILE A 100 84.681 -2.435 8.396 1.00 1.00 C ATOM 1481 O ILE A 100 84.850 -3.345 9.214 1.00 1.00 O ATOM 1482 CB ILE A 100 86.760 -1.621 7.249 1.00 1.00 C ATOM 1483 CG1 ILE A 100 87.901 -2.545 7.692 1.00 1.00 C ATOM 1484 CG2 ILE A 100 86.625 -0.535 8.342 1.00 1.00 C ATOM 1485 CD1 ILE A 100 89.207 -1.742 7.762 1.00 1.00 C ATOM 0 H ILE A 100 84.943 -1.012 5.584 1.00 1.00 H new ATOM 0 HA ILE A 100 85.685 -3.451 6.785 1.00 1.00 H new ATOM 0 HB ILE A 100 86.969 -1.164 6.282 1.00 1.00 H new ATOM 0 HG12 ILE A 100 87.675 -2.979 8.666 1.00 1.00 H new ATOM 0 HG13 ILE A 100 88.007 -3.373 6.991 1.00 1.00 H new ATOM 0 HG21 ILE A 100 87.566 0.007 8.434 1.00 1.00 H new ATOM 0 HG22 ILE A 100 85.831 0.160 8.068 1.00 1.00 H new ATOM 0 HG23 ILE A 100 86.383 -1.006 9.295 1.00 1.00 H new ATOM 0 HD11 ILE A 100 90.020 -2.396 8.077 1.00 1.00 H new ATOM 0 HD12 ILE A 100 89.433 -1.329 6.779 1.00 1.00 H new ATOM 0 HD13 ILE A 100 89.096 -0.929 8.480 1.00 1.00 H new ATOM 1497 N VAL A 101 83.857 -1.411 8.618 1.00 1.00 N ATOM 1498 CA VAL A 101 83.128 -1.370 9.865 1.00 1.00 C ATOM 1499 C VAL A 101 82.226 -2.580 9.947 1.00 1.00 C ATOM 1500 O VAL A 101 82.309 -3.349 10.903 1.00 1.00 O ATOM 1501 CB VAL A 101 82.330 -0.055 10.028 1.00 1.00 C ATOM 1502 CG1 VAL A 101 81.143 -0.006 9.062 1.00 1.00 C ATOM 1503 CG2 VAL A 101 81.802 0.064 11.462 1.00 1.00 C ATOM 0 H VAL A 101 83.688 -0.636 7.977 1.00 1.00 H new ATOM 0 HA VAL A 101 83.841 -1.395 10.689 1.00 1.00 H new ATOM 0 HB VAL A 101 83.004 0.772 9.805 1.00 1.00 H new ATOM 0 HG11 VAL A 101 80.601 0.929 9.199 1.00 1.00 H new ATOM 0 HG12 VAL A 101 81.506 -0.068 8.036 1.00 1.00 H new ATOM 0 HG13 VAL A 101 80.476 -0.845 9.262 1.00 1.00 H new ATOM 0 HG21 VAL A 101 81.241 0.993 11.567 1.00 1.00 H new ATOM 0 HG22 VAL A 101 81.149 -0.781 11.680 1.00 1.00 H new ATOM 0 HG23 VAL A 101 82.640 0.065 12.159 1.00 1.00 H new ATOM 1513 N CYS A 102 81.327 -2.734 8.984 1.00 1.00 N ATOM 1514 CA CYS A 102 80.396 -3.828 9.018 1.00 1.00 C ATOM 1515 C CYS A 102 81.060 -5.134 9.443 1.00 1.00 C ATOM 1516 O CYS A 102 80.409 -5.984 10.020 1.00 1.00 O ATOM 1517 CB CYS A 102 79.770 -3.965 7.594 1.00 1.00 C ATOM 1518 SG CYS A 102 80.307 -5.502 6.756 1.00 1.00 S ATOM 0 H CYS A 102 81.231 -2.114 8.180 1.00 1.00 H new ATOM 0 HA CYS A 102 79.625 -3.622 9.760 1.00 1.00 H new ATOM 0 HB2 CYS A 102 78.683 -3.956 7.673 1.00 1.00 H new ATOM 0 HB3 CYS A 102 80.053 -3.104 6.989 1.00 1.00 H new ATOM 1523 N ARG A 103 82.360 -5.225 9.230 1.00 1.00 N ATOM 1524 CA ARG A 103 83.128 -6.414 9.624 1.00 1.00 C ATOM 1525 C ARG A 103 83.642 -6.290 11.058 1.00 1.00 C ATOM 1526 O ARG A 103 83.702 -7.253 11.824 1.00 1.00 O ATOM 1527 CB ARG A 103 84.299 -6.567 8.663 1.00 1.00 C ATOM 1528 CG ARG A 103 85.118 -7.823 9.008 1.00 1.00 C ATOM 1529 CD ARG A 103 85.760 -8.372 7.731 1.00 1.00 C ATOM 1530 NE ARG A 103 86.181 -7.281 6.857 1.00 1.00 N ATOM 1531 CZ ARG A 103 87.001 -7.511 5.841 1.00 1.00 C ATOM 1532 NH1 ARG A 103 87.449 -8.718 5.640 1.00 1.00 N ATOM 1533 NH2 ARG A 103 87.353 -6.539 5.046 1.00 1.00 N ATOM 0 H ARG A 103 82.916 -4.494 8.786 1.00 1.00 H new ATOM 0 HA ARG A 103 82.481 -7.290 9.581 1.00 1.00 H new ATOM 0 HB2 ARG A 103 83.931 -6.636 7.639 1.00 1.00 H new ATOM 0 HB3 ARG A 103 84.937 -5.684 8.714 1.00 1.00 H new ATOM 0 HG2 ARG A 103 85.888 -7.580 9.741 1.00 1.00 H new ATOM 0 HG3 ARG A 103 84.475 -8.578 9.460 1.00 1.00 H new ATOM 0 HD2 ARG A 103 86.619 -8.992 7.987 1.00 1.00 H new ATOM 0 HD3 ARG A 103 85.050 -9.012 7.207 1.00 1.00 H new ATOM 0 HE ARG A 103 85.842 -6.335 7.029 1.00 1.00 H new ATOM 0 HH11 ARG A 103 87.168 -9.476 6.262 1.00 1.00 H new ATOM 0 HH12 ARG A 103 88.080 -8.905 4.861 1.00 1.00 H new ATOM 0 HH21 ARG A 103 86.997 -5.596 5.204 1.00 1.00 H new ATOM 0 HH22 ARG A 103 87.984 -6.721 4.266 1.00 1.00 H new ATOM 1547 N TYR A 104 83.935 -5.058 11.401 1.00 1.00 N ATOM 1548 CA TYR A 104 84.398 -4.634 12.737 1.00 1.00 C ATOM 1549 C TYR A 104 83.228 -4.021 13.524 1.00 1.00 C ATOM 1550 O TYR A 104 83.423 -3.412 14.577 1.00 1.00 O ATOM 1551 CB TYR A 104 85.646 -3.701 12.666 1.00 1.00 C ATOM 1552 CG TYR A 104 85.632 -2.690 13.816 1.00 1.00 C ATOM 1553 CD1 TYR A 104 84.890 -1.517 13.671 1.00 1.00 C ATOM 1554 CD2 TYR A 104 86.286 -2.950 15.037 1.00 1.00 C ATOM 1555 CE1 TYR A 104 84.776 -0.610 14.717 1.00 1.00 C ATOM 1556 CE2 TYR A 104 86.185 -2.022 16.088 1.00 1.00 C ATOM 1557 CZ TYR A 104 85.422 -0.857 15.925 1.00 1.00 C ATOM 1558 OH TYR A 104 85.276 0.028 16.965 1.00 1.00 O ATOM 0 H TYR A 104 83.861 -4.280 10.745 1.00 1.00 H new ATOM 0 HA TYR A 104 84.739 -5.515 13.281 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.556 -4.299 12.712 1.00 1.00 H new ATOM 0 HB3 TYR A 104 85.658 -3.174 11.712 1.00 1.00 H new ATOM 0 HD1 TYR A 104 84.397 -1.311 12.732 1.00 1.00 H new ATOM 0 HD2 TYR A 104 86.861 -3.856 15.164 1.00 1.00 H new ATOM 0 HE1 TYR A 104 84.186 0.286 14.593 1.00 1.00 H new ATOM 0 HE2 TYR A 104 86.695 -2.206 17.022 1.00 1.00 H new ATOM 0 HH TYR A 104 85.789 -0.288 17.738 1.00 1.00 H new ATOM 1568 N GLY A 105 81.992 -4.257 13.122 1.00 1.00 N ATOM 1569 CA GLY A 105 80.881 -3.759 13.904 1.00 1.00 C ATOM 1570 C GLY A 105 79.648 -4.476 13.421 1.00 1.00 C ATOM 1571 O GLY A 105 79.221 -5.469 14.010 1.00 1.00 O ATOM 0 H GLY A 105 81.738 -4.776 12.282 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.043 -3.943 14.966 1.00 1.00 H new ATOM 0 HA3 GLY A 105 80.774 -2.681 13.780 1.00 1.00 H new ATOM 1575 N ALA A 106 79.090 -3.973 12.330 1.00 1.00 N ATOM 1576 CA ALA A 106 77.920 -4.553 11.730 1.00 1.00 C ATOM 1577 C ALA A 106 76.658 -4.338 12.586 1.00 1.00 C ATOM 1578 O ALA A 106 76.119 -5.280 13.138 1.00 1.00 O ATOM 1579 CB ALA A 106 78.182 -6.060 11.431 1.00 1.00 C ATOM 0 H ALA A 106 79.444 -3.150 11.843 1.00 1.00 H new ATOM 0 HA ALA A 106 77.724 -4.042 10.787 1.00 1.00 H new ATOM 0 HB1 ALA A 106 77.295 -6.500 10.976 1.00 1.00 H new ATOM 0 HB2 ALA A 106 79.025 -6.154 10.747 1.00 1.00 H new ATOM 0 HB3 ALA A 106 78.409 -6.581 12.361 1.00 1.00 H new ATOM 1585 N THR A 107 76.158 -3.088 12.707 1.00 1.00 N ATOM 1586 CA THR A 107 74.932 -2.881 13.481 1.00 1.00 C ATOM 1587 C THR A 107 73.722 -3.340 12.654 1.00 1.00 C ATOM 1588 O THR A 107 72.925 -4.119 13.134 1.00 1.00 O ATOM 1589 CB THR A 107 74.769 -1.421 13.914 1.00 1.00 C ATOM 1590 OG1 THR A 107 75.964 -0.976 14.549 1.00 1.00 O ATOM 1591 CG2 THR A 107 73.589 -1.332 14.887 1.00 1.00 C ATOM 0 H THR A 107 76.567 -2.248 12.297 1.00 1.00 H new ATOM 0 HA THR A 107 74.998 -3.477 14.391 1.00 1.00 H new ATOM 0 HB THR A 107 74.579 -0.788 13.047 1.00 1.00 H new ATOM 0 HG1 THR A 107 75.860 -0.041 14.824 1.00 1.00 H new ATOM 0 HG21 THR A 107 73.458 -0.298 15.206 1.00 1.00 H new ATOM 0 HG22 THR A 107 72.682 -1.676 14.391 1.00 1.00 H new ATOM 0 HG23 THR A 107 73.787 -1.958 15.757 1.00 1.00 H new ATOM 1599 N VAL A 108 73.550 -2.802 11.435 1.00 1.00 N ATOM 1600 CA VAL A 108 72.397 -3.161 10.574 1.00 1.00 C ATOM 1601 C VAL A 108 72.538 -4.578 9.998 1.00 1.00 C ATOM 1602 O VAL A 108 71.605 -5.352 9.995 1.00 1.00 O ATOM 1603 CB VAL A 108 72.289 -2.147 9.432 1.00 1.00 C ATOM 1604 CG1 VAL A 108 72.024 -0.750 10.026 1.00 1.00 C ATOM 1605 CG2 VAL A 108 73.600 -2.150 8.619 1.00 1.00 C ATOM 0 H VAL A 108 74.187 -2.121 11.021 1.00 1.00 H new ATOM 0 HA VAL A 108 71.494 -3.141 11.185 1.00 1.00 H new ATOM 0 HB VAL A 108 71.467 -2.413 8.768 1.00 1.00 H new ATOM 0 HG11 VAL A 108 71.946 -0.021 9.220 1.00 1.00 H new ATOM 0 HG12 VAL A 108 71.093 -0.766 10.593 1.00 1.00 H new ATOM 0 HG13 VAL A 108 72.846 -0.474 10.686 1.00 1.00 H new ATOM 0 HG21 VAL A 108 73.525 -1.429 7.805 1.00 1.00 H new ATOM 0 HG22 VAL A 108 74.432 -1.879 9.269 1.00 1.00 H new ATOM 0 HG23 VAL A 108 73.771 -3.145 8.207 1.00 1.00 H new ATOM 1615 N ILE A 109 73.690 -4.894 9.445 1.00 1.00 N ATOM 1616 CA ILE A 109 73.873 -6.225 8.835 1.00 1.00 C ATOM 1617 C ILE A 109 73.222 -7.304 9.731 1.00 1.00 C ATOM 1618 O ILE A 109 72.493 -8.118 9.204 1.00 1.00 O ATOM 1619 CB ILE A 109 75.382 -6.529 8.494 1.00 1.00 C ATOM 1620 CG1 ILE A 109 75.892 -7.844 9.164 1.00 1.00 C ATOM 1621 CG2 ILE A 109 76.212 -5.347 8.958 1.00 1.00 C ATOM 1622 CD1 ILE A 109 77.331 -8.210 8.732 1.00 1.00 C ATOM 0 H ILE A 109 74.502 -4.278 9.397 1.00 1.00 H new ATOM 0 HA ILE A 109 73.362 -6.239 7.872 1.00 1.00 H new ATOM 0 HB ILE A 109 75.476 -6.676 7.418 1.00 1.00 H new ATOM 0 HG12 ILE A 109 75.859 -7.732 10.248 1.00 1.00 H new ATOM 0 HG13 ILE A 109 75.220 -8.663 8.907 1.00 1.00 H new ATOM 0 HG21 ILE A 109 77.263 -5.530 8.734 1.00 1.00 H new ATOM 0 HG22 ILE A 109 75.883 -4.446 8.441 1.00 1.00 H new ATOM 0 HG23 ILE A 109 76.088 -5.215 10.033 1.00 1.00 H new ATOM 0 HD11 ILE A 109 77.636 -9.132 9.227 1.00 1.00 H new ATOM 0 HD12 ILE A 109 77.362 -8.351 7.652 1.00 1.00 H new ATOM 0 HD13 ILE A 109 78.011 -7.406 9.013 1.00 1.00 H new ATOM 1634 N PRO A 110 73.392 -7.332 11.055 1.00 1.00 N ATOM 1635 CA PRO A 110 72.712 -8.348 11.882 1.00 1.00 C ATOM 1636 C PRO A 110 71.182 -8.194 11.809 1.00 1.00 C ATOM 1637 O PRO A 110 70.487 -9.113 12.143 1.00 1.00 O ATOM 1638 CB PRO A 110 73.231 -8.093 13.300 1.00 1.00 C ATOM 1639 CG PRO A 110 73.513 -6.658 13.274 1.00 1.00 C ATOM 1640 CD PRO A 110 74.215 -6.486 11.930 1.00 1.00 C ATOM 0 HA PRO A 110 72.919 -9.363 11.544 1.00 1.00 H new ATOM 0 HB2 PRO A 110 72.489 -8.348 14.057 1.00 1.00 H new ATOM 0 HB3 PRO A 110 74.124 -8.679 13.518 1.00 1.00 H new ATOM 0 HG2 PRO A 110 72.601 -6.064 13.335 1.00 1.00 H new ATOM 0 HG3 PRO A 110 74.148 -6.354 14.106 1.00 1.00 H new ATOM 0 HD2 PRO A 110 74.225 -5.446 11.603 1.00 1.00 H new ATOM 0 HD3 PRO A 110 75.252 -6.819 11.964 1.00 1.00 H new ATOM 1648 N ASN A 111 70.668 -7.020 11.366 1.00 1.00 N ATOM 1649 CA ASN A 111 69.208 -6.819 11.248 1.00 1.00 C ATOM 1650 C ASN A 111 68.665 -7.820 10.231 1.00 1.00 C ATOM 1651 O ASN A 111 67.908 -8.721 10.581 1.00 1.00 O ATOM 1652 CB ASN A 111 68.858 -5.381 10.753 1.00 1.00 C ATOM 1653 CG ASN A 111 68.081 -4.597 11.796 1.00 1.00 C ATOM 1654 OD1 ASN A 111 68.655 -3.758 12.491 1.00 1.00 O ATOM 1655 ND2 ASN A 111 66.803 -4.805 11.938 1.00 1.00 N ATOM 0 H ASN A 111 71.231 -6.216 11.091 1.00 1.00 H new ATOM 0 HA ASN A 111 68.764 -6.961 12.233 1.00 1.00 H new ATOM 0 HB2 ASN A 111 69.777 -4.848 10.508 1.00 1.00 H new ATOM 0 HB3 ASN A 111 68.272 -5.445 9.836 1.00 1.00 H new ATOM 0 HD21 ASN A 111 66.273 -4.272 12.627 1.00 1.00 H new ATOM 0 HD22 ASN A 111 66.332 -5.501 11.360 1.00 1.00 H new ATOM 1662 N ILE A 112 69.060 -7.663 8.959 1.00 1.00 N ATOM 1663 CA ILE A 112 68.587 -8.585 7.934 1.00 1.00 C ATOM 1664 C ILE A 112 68.778 -9.994 8.453 1.00 1.00 C ATOM 1665 O ILE A 112 68.101 -10.928 8.058 1.00 1.00 O ATOM 1666 CB ILE A 112 69.364 -8.414 6.596 1.00 1.00 C ATOM 1667 CG1 ILE A 112 70.715 -9.172 6.635 1.00 1.00 C ATOM 1668 CG2 ILE A 112 69.609 -6.929 6.346 1.00 1.00 C ATOM 1669 CD1 ILE A 112 71.648 -8.716 5.498 1.00 1.00 C ATOM 0 H ILE A 112 69.686 -6.929 8.629 1.00 1.00 H new ATOM 0 HA ILE A 112 67.537 -8.377 7.728 1.00 1.00 H new ATOM 0 HB ILE A 112 68.766 -8.834 5.787 1.00 1.00 H new ATOM 0 HG12 ILE A 112 71.201 -9.004 7.596 1.00 1.00 H new ATOM 0 HG13 ILE A 112 70.535 -10.244 6.552 1.00 1.00 H new ATOM 0 HG21 ILE A 112 70.153 -6.803 5.410 1.00 1.00 H new ATOM 0 HG22 ILE A 112 68.654 -6.408 6.284 1.00 1.00 H new ATOM 0 HG23 ILE A 112 70.196 -6.514 7.166 1.00 1.00 H new ATOM 0 HD11 ILE A 112 72.587 -9.267 5.554 1.00 1.00 H new ATOM 0 HD12 ILE A 112 71.171 -8.908 4.537 1.00 1.00 H new ATOM 0 HD13 ILE A 112 71.847 -7.649 5.597 1.00 1.00 H new ATOM 1681 N ASN A 113 69.684 -10.161 9.395 1.00 1.00 N ATOM 1682 CA ASN A 113 69.871 -11.470 9.966 1.00 1.00 C ATOM 1683 C ASN A 113 68.857 -11.702 11.094 1.00 1.00 C ATOM 1684 O ASN A 113 68.113 -12.667 11.155 1.00 1.00 O ATOM 1685 CB ASN A 113 71.306 -11.664 10.466 1.00 1.00 C ATOM 1686 CG ASN A 113 72.210 -11.922 9.259 1.00 1.00 C ATOM 1687 OD1 ASN A 113 71.835 -11.589 8.136 1.00 1.00 O ATOM 1688 ND2 ASN A 113 73.363 -12.508 9.404 1.00 1.00 N ATOM 0 H ASN A 113 70.285 -9.427 9.770 1.00 1.00 H new ATOM 0 HA ASN A 113 69.700 -12.211 9.185 1.00 1.00 H new ATOM 0 HB2 ASN A 113 71.641 -10.780 11.008 1.00 1.00 H new ATOM 0 HB3 ASN A 113 71.355 -12.502 11.162 1.00 1.00 H new ATOM 0 HD21 ASN A 113 73.949 -12.688 8.589 1.00 1.00 H new ATOM 0 HD22 ASN A 113 73.680 -12.787 10.332 1.00 1.00 H new ATOM 1695 N ALA A 114 68.854 -10.787 12.004 1.00 1.00 N ATOM 1696 CA ALA A 114 67.962 -10.910 13.121 1.00 1.00 C ATOM 1697 C ALA A 114 66.523 -11.047 12.617 1.00 1.00 C ATOM 1698 O ALA A 114 65.831 -12.042 12.891 1.00 1.00 O ATOM 1699 CB ALA A 114 68.098 -9.667 14.006 1.00 1.00 C ATOM 0 H ALA A 114 69.446 -9.957 12.004 1.00 1.00 H new ATOM 0 HA ALA A 114 68.214 -11.797 13.703 1.00 1.00 H new ATOM 0 HB1 ALA A 114 67.423 -9.751 14.858 1.00 1.00 H new ATOM 0 HB2 ALA A 114 69.125 -9.585 14.363 1.00 1.00 H new ATOM 0 HB3 ALA A 114 67.843 -8.779 13.428 1.00 1.00 H new ATOM 1705 N ALA A 115 66.103 -10.071 11.818 1.00 1.00 N ATOM 1706 CA ALA A 115 64.760 -10.056 11.248 1.00 1.00 C ATOM 1707 C ALA A 115 64.580 -10.956 10.004 1.00 1.00 C ATOM 1708 O ALA A 115 63.725 -11.860 9.987 1.00 1.00 O ATOM 1709 CB ALA A 115 64.424 -8.598 10.884 1.00 1.00 C ATOM 0 H ALA A 115 66.679 -9.274 11.549 1.00 1.00 H new ATOM 0 HA ALA A 115 64.084 -10.465 11.999 1.00 1.00 H new ATOM 0 HB1 ALA A 115 63.423 -8.552 10.454 1.00 1.00 H new ATOM 0 HB2 ALA A 115 64.462 -7.981 11.782 1.00 1.00 H new ATOM 0 HB3 ALA A 115 65.148 -8.228 10.158 1.00 1.00 H new ATOM 1715 N ILE A 116 65.323 -10.691 8.924 1.00 1.00 N ATOM 1716 CA ILE A 116 65.108 -11.453 7.691 1.00 1.00 C ATOM 1717 C ILE A 116 65.612 -12.906 7.747 1.00 1.00 C ATOM 1718 O ILE A 116 64.976 -13.772 7.188 1.00 1.00 O ATOM 1719 CB ILE A 116 65.717 -10.702 6.497 1.00 1.00 C ATOM 1720 CG1 ILE A 116 65.092 -9.277 6.382 1.00 1.00 C ATOM 1721 CG2 ILE A 116 65.520 -11.511 5.215 1.00 1.00 C ATOM 1722 CD1 ILE A 116 63.596 -9.308 6.021 1.00 1.00 C ATOM 0 H ILE A 116 66.053 -9.981 8.877 1.00 1.00 H new ATOM 0 HA ILE A 116 64.028 -11.533 7.566 1.00 1.00 H new ATOM 0 HB ILE A 116 66.789 -10.581 6.654 1.00 1.00 H new ATOM 0 HG12 ILE A 116 65.222 -8.751 7.328 1.00 1.00 H new ATOM 0 HG13 ILE A 116 65.632 -8.709 5.625 1.00 1.00 H new ATOM 0 HG21 ILE A 116 65.955 -10.971 4.374 1.00 1.00 H new ATOM 0 HG22 ILE A 116 66.010 -12.479 5.317 1.00 1.00 H new ATOM 0 HG23 ILE A 116 64.455 -11.660 5.039 1.00 1.00 H new ATOM 0 HD11 ILE A 116 63.216 -8.288 5.955 1.00 1.00 H new ATOM 0 HD12 ILE A 116 63.464 -9.807 5.061 1.00 1.00 H new ATOM 0 HD13 ILE A 116 63.047 -9.850 6.791 1.00 1.00 H new ATOM 1734 N GLU A 117 66.768 -13.145 8.358 1.00 1.00 N ATOM 1735 CA GLU A 117 67.351 -14.509 8.378 1.00 1.00 C ATOM 1736 C GLU A 117 66.352 -15.498 8.861 1.00 1.00 C ATOM 1737 O GLU A 117 66.012 -16.441 8.148 1.00 1.00 O ATOM 1738 CB GLU A 117 68.561 -14.615 9.314 1.00 1.00 C ATOM 1739 CG GLU A 117 69.801 -15.136 8.622 1.00 1.00 C ATOM 1740 CD GLU A 117 70.979 -14.948 9.560 1.00 1.00 C ATOM 1741 OE1 GLU A 117 70.745 -14.920 10.758 1.00 1.00 O ATOM 1742 OE2 GLU A 117 72.091 -14.836 9.078 1.00 1.00 O ATOM 0 H GLU A 117 67.321 -12.437 8.841 1.00 1.00 H new ATOM 0 HA GLU A 117 67.658 -14.715 7.353 1.00 1.00 H new ATOM 0 HB2 GLU A 117 68.773 -13.633 9.737 1.00 1.00 H new ATOM 0 HB3 GLU A 117 68.313 -15.273 10.146 1.00 1.00 H new ATOM 0 HG2 GLU A 117 69.681 -16.189 8.368 1.00 1.00 H new ATOM 0 HG3 GLU A 117 69.969 -14.600 7.688 1.00 1.00 H new ATOM 1749 N VAL A 118 65.919 -15.336 10.104 1.00 1.00 N ATOM 1750 CA VAL A 118 65.007 -16.299 10.621 1.00 1.00 C ATOM 1751 C VAL A 118 63.810 -16.395 9.703 1.00 1.00 C ATOM 1752 O VAL A 118 63.067 -17.379 9.766 1.00 1.00 O ATOM 1753 CB VAL A 118 64.574 -15.919 12.032 1.00 1.00 C ATOM 1754 CG1 VAL A 118 63.704 -17.037 12.604 1.00 1.00 C ATOM 1755 CG2 VAL A 118 65.817 -15.732 12.909 1.00 1.00 C ATOM 0 H VAL A 118 66.180 -14.578 10.735 1.00 1.00 H new ATOM 0 HA VAL A 118 65.498 -17.271 10.671 1.00 1.00 H new ATOM 0 HB VAL A 118 64.005 -14.989 12.009 1.00 1.00 H new ATOM 0 HG11 VAL A 118 63.390 -16.773 13.614 1.00 1.00 H new ATOM 0 HG12 VAL A 118 62.825 -17.172 11.974 1.00 1.00 H new ATOM 0 HG13 VAL A 118 64.276 -17.964 12.633 1.00 1.00 H new ATOM 0 HG21 VAL A 118 65.512 -15.460 13.919 1.00 1.00 H new ATOM 0 HG22 VAL A 118 66.384 -16.662 12.939 1.00 1.00 H new ATOM 0 HG23 VAL A 118 66.440 -14.940 12.493 1.00 1.00 H new ATOM 1765 N LEU A 119 63.643 -15.415 8.780 1.00 1.00 N ATOM 1766 CA LEU A 119 62.547 -15.484 7.819 1.00 1.00 C ATOM 1767 C LEU A 119 62.934 -16.167 6.480 1.00 1.00 C ATOM 1768 O LEU A 119 62.245 -17.077 6.030 1.00 1.00 O ATOM 1769 CB LEU A 119 62.017 -14.068 7.551 1.00 1.00 C ATOM 1770 CG LEU A 119 60.477 -14.085 7.460 1.00 1.00 C ATOM 1771 CD1 LEU A 119 59.868 -14.020 8.870 1.00 1.00 C ATOM 1772 CD2 LEU A 119 60.020 -12.882 6.646 1.00 1.00 C ATOM 0 H LEU A 119 64.242 -14.594 8.692 1.00 1.00 H new ATOM 0 HA LEU A 119 61.774 -16.109 8.266 1.00 1.00 H new ATOM 0 HB2 LEU A 119 62.334 -13.396 8.348 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.439 -13.683 6.623 1.00 1.00 H new ATOM 0 HG LEU A 119 60.147 -15.005 6.978 1.00 1.00 H new ATOM 0 HD11 LEU A 119 58.780 -14.032 8.798 1.00 1.00 H new ATOM 0 HD12 LEU A 119 60.203 -14.879 9.451 1.00 1.00 H new ATOM 0 HD13 LEU A 119 60.188 -13.102 9.363 1.00 1.00 H new ATOM 0 HD21 LEU A 119 58.932 -12.883 6.575 1.00 1.00 H new ATOM 0 HD22 LEU A 119 60.351 -11.965 7.134 1.00 1.00 H new ATOM 0 HD23 LEU A 119 60.449 -12.935 5.646 1.00 1.00 H new ATOM 1784 N GLY A 120 63.980 -15.639 5.794 1.00 1.00 N ATOM 1785 CA GLY A 120 64.326 -16.159 4.469 1.00 1.00 C ATOM 1786 C GLY A 120 64.892 -17.581 4.474 1.00 1.00 C ATOM 1787 O GLY A 120 64.439 -18.427 3.704 1.00 1.00 O ATOM 0 H GLY A 120 64.573 -14.881 6.131 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.436 -16.138 3.840 1.00 1.00 H new ATOM 0 HA3 GLY A 120 65.056 -15.492 4.010 1.00 1.00 H new ATOM 1791 N THR A 121 65.891 -17.798 5.325 1.00 1.00 N ATOM 1792 CA THR A 121 66.607 -19.081 5.469 1.00 1.00 C ATOM 1793 C THR A 121 67.983 -18.745 6.035 1.00 1.00 C ATOM 1794 O THR A 121 68.521 -19.437 6.906 1.00 1.00 O ATOM 1795 CB THR A 121 66.764 -19.830 4.120 1.00 1.00 C ATOM 1796 OG1 THR A 121 67.660 -20.918 4.299 1.00 1.00 O ATOM 1797 CG2 THR A 121 67.336 -18.903 3.029 1.00 1.00 C ATOM 0 H THR A 121 66.241 -17.074 5.953 1.00 1.00 H new ATOM 0 HA THR A 121 66.040 -19.745 6.122 1.00 1.00 H new ATOM 0 HB THR A 121 65.780 -20.178 3.805 1.00 1.00 H new ATOM 0 HG1 THR A 121 67.764 -21.399 3.451 1.00 1.00 H new ATOM 0 HG21 THR A 121 67.434 -19.457 2.096 1.00 1.00 H new ATOM 0 HG22 THR A 121 66.664 -18.058 2.880 1.00 1.00 H new ATOM 0 HG23 THR A 121 68.315 -18.538 3.339 1.00 1.00 H new ATOM 1805 N GLY A 122 68.519 -17.643 5.509 1.00 1.00 N ATOM 1806 CA GLY A 122 69.821 -17.064 5.853 1.00 1.00 C ATOM 1807 C GLY A 122 70.824 -17.126 4.697 1.00 1.00 C ATOM 1808 O GLY A 122 71.650 -16.223 4.606 1.00 1.00 O ATOM 0 H GLY A 122 68.033 -17.101 4.795 1.00 1.00 H new ATOM 0 HA2 GLY A 122 69.683 -16.025 6.153 1.00 1.00 H new ATOM 0 HA3 GLY A 122 70.232 -17.592 6.713 1.00 1.00 H new ATOM 1812 N THR A 123 70.813 -18.162 3.851 1.00 1.00 N ATOM 1813 CA THR A 123 71.795 -18.257 2.740 1.00 1.00 C ATOM 1814 C THR A 123 72.177 -16.880 2.193 1.00 1.00 C ATOM 1815 O THR A 123 71.561 -16.373 1.255 1.00 1.00 O ATOM 1816 CB THR A 123 71.183 -19.074 1.583 1.00 1.00 C ATOM 1817 OG1 THR A 123 70.721 -20.324 2.071 1.00 1.00 O ATOM 1818 CG2 THR A 123 72.233 -19.315 0.487 1.00 1.00 C ATOM 0 H THR A 123 70.153 -18.938 3.903 1.00 1.00 H new ATOM 0 HA THR A 123 72.689 -18.738 3.138 1.00 1.00 H new ATOM 0 HB THR A 123 70.349 -18.512 1.162 1.00 1.00 H new ATOM 0 HG1 THR A 123 71.125 -21.048 1.550 1.00 1.00 H new ATOM 0 HG21 THR A 123 71.788 -19.893 -0.323 1.00 1.00 H new ATOM 0 HG22 THR A 123 72.582 -18.357 0.101 1.00 1.00 H new ATOM 0 HG23 THR A 123 73.075 -19.866 0.905 1.00 1.00 H new ATOM 1826 N ASP A 124 73.236 -16.297 2.762 1.00 1.00 N ATOM 1827 CA ASP A 124 73.741 -15.003 2.317 1.00 1.00 C ATOM 1828 C ASP A 124 75.271 -14.993 2.462 1.00 1.00 C ATOM 1829 O ASP A 124 75.818 -15.620 3.366 1.00 1.00 O ATOM 1830 CB ASP A 124 73.110 -13.885 3.156 1.00 1.00 C ATOM 1831 CG ASP A 124 71.635 -13.728 2.787 1.00 1.00 C ATOM 1832 OD1 ASP A 124 71.357 -13.402 1.644 1.00 1.00 O ATOM 1833 OD2 ASP A 124 70.806 -13.963 3.649 1.00 1.00 O ATOM 0 H ASP A 124 73.760 -16.706 3.536 1.00 1.00 H new ATOM 0 HA ASP A 124 73.479 -14.836 1.272 1.00 1.00 H new ATOM 0 HB2 ASP A 124 73.206 -14.116 4.217 1.00 1.00 H new ATOM 0 HB3 ASP A 124 73.639 -12.947 2.985 1.00 1.00 H new ATOM 1838 N TYR A 125 75.949 -14.304 1.556 1.00 1.00 N ATOM 1839 CA TYR A 125 77.407 -14.233 1.564 1.00 1.00 C ATOM 1840 C TYR A 125 77.878 -12.936 0.892 1.00 1.00 C ATOM 1841 O TYR A 125 77.239 -12.437 -0.036 1.00 1.00 O ATOM 1842 CB TYR A 125 77.985 -15.466 0.809 1.00 1.00 C ATOM 1843 CG TYR A 125 78.800 -15.019 -0.400 1.00 1.00 C ATOM 1844 CD1 TYR A 125 78.157 -14.709 -1.607 1.00 1.00 C ATOM 1845 CD2 TYR A 125 80.187 -14.872 -0.289 1.00 1.00 C ATOM 1846 CE1 TYR A 125 78.905 -14.259 -2.703 1.00 1.00 C ATOM 1847 CE2 TYR A 125 80.933 -14.415 -1.382 1.00 1.00 C ATOM 1848 CZ TYR A 125 80.294 -14.109 -2.589 1.00 1.00 C ATOM 1849 OH TYR A 125 81.032 -13.657 -3.665 1.00 1.00 O ATOM 0 H TYR A 125 75.510 -13.781 0.798 1.00 1.00 H new ATOM 0 HA TYR A 125 77.763 -14.238 2.594 1.00 1.00 H new ATOM 0 HB2 TYR A 125 78.613 -16.050 1.482 1.00 1.00 H new ATOM 0 HB3 TYR A 125 77.172 -16.116 0.486 1.00 1.00 H new ATOM 0 HD1 TYR A 125 77.086 -14.817 -1.692 1.00 1.00 H new ATOM 0 HD2 TYR A 125 80.682 -15.111 0.640 1.00 1.00 H new ATOM 0 HE1 TYR A 125 78.411 -14.028 -3.635 1.00 1.00 H new ATOM 0 HE2 TYR A 125 82.003 -14.298 -1.294 1.00 1.00 H new ATOM 0 HH TYR A 125 81.979 -13.610 -3.416 1.00 1.00 H new ATOM 1859 N ARG A 126 79.032 -12.440 1.331 1.00 1.00 N ATOM 1860 CA ARG A 126 79.622 -11.246 0.731 1.00 1.00 C ATOM 1861 C ARG A 126 81.147 -11.321 0.820 1.00 1.00 C ATOM 1862 O ARG A 126 81.688 -11.963 1.721 1.00 1.00 O ATOM 1863 CB ARG A 126 79.086 -9.973 1.414 1.00 1.00 C ATOM 1864 CG ARG A 126 79.101 -8.792 0.415 1.00 1.00 C ATOM 1865 CD ARG A 126 77.843 -8.828 -0.480 1.00 1.00 C ATOM 1866 NE ARG A 126 78.115 -8.162 -1.760 1.00 1.00 N ATOM 1867 CZ ARG A 126 77.612 -8.608 -2.920 1.00 1.00 C ATOM 1868 NH1 ARG A 126 76.864 -9.679 -2.961 1.00 1.00 N ATOM 1869 NH2 ARG A 126 77.874 -7.965 -4.026 1.00 1.00 N ATOM 0 H ARG A 126 79.574 -12.843 2.095 1.00 1.00 H new ATOM 0 HA ARG A 126 79.339 -11.200 -0.321 1.00 1.00 H new ATOM 0 HB2 ARG A 126 78.071 -10.143 1.774 1.00 1.00 H new ATOM 0 HB3 ARG A 126 79.697 -9.732 2.284 1.00 1.00 H new ATOM 0 HG2 ARG A 126 79.141 -7.848 0.959 1.00 1.00 H new ATOM 0 HG3 ARG A 126 79.997 -8.842 -0.204 1.00 1.00 H new ATOM 0 HD2 ARG A 126 77.541 -9.861 -0.655 1.00 1.00 H new ATOM 0 HD3 ARG A 126 77.013 -8.335 0.026 1.00 1.00 H new ATOM 0 HE ARG A 126 78.707 -7.331 -1.767 1.00 1.00 H new ATOM 0 HH11 ARG A 126 76.655 -10.188 -2.102 1.00 1.00 H new ATOM 0 HH12 ARG A 126 76.489 -10.005 -3.852 1.00 1.00 H new ATOM 0 HH21 ARG A 126 78.458 -7.129 -4.004 1.00 1.00 H new ATOM 0 HH22 ARG A 126 77.495 -8.299 -4.912 1.00 1.00 H new ATOM 1883 N PHE A 127 81.832 -10.685 -0.136 1.00 1.00 N ATOM 1884 CA PHE A 127 83.301 -10.695 -0.187 1.00 1.00 C ATOM 1885 C PHE A 127 83.924 -10.759 1.210 1.00 1.00 C ATOM 1886 O PHE A 127 84.085 -11.856 1.714 1.00 1.00 O ATOM 1887 CB PHE A 127 83.796 -9.434 -0.901 1.00 1.00 C ATOM 1888 CG PHE A 127 82.970 -9.189 -2.147 1.00 1.00 C ATOM 1889 CD1 PHE A 127 83.215 -9.924 -3.314 1.00 1.00 C ATOM 1890 CD2 PHE A 127 81.961 -8.218 -2.131 1.00 1.00 C ATOM 1891 CE1 PHE A 127 82.448 -9.688 -4.463 1.00 1.00 C ATOM 1892 CE2 PHE A 127 81.193 -7.984 -3.280 1.00 1.00 C ATOM 1893 CZ PHE A 127 81.438 -8.719 -4.446 1.00 1.00 C ATOM 1894 OXT PHE A 127 84.233 -9.707 1.752 1.00 1.00 O ATOM 0 H PHE A 127 81.392 -10.155 -0.888 1.00 1.00 H new ATOM 0 HA PHE A 127 83.606 -11.588 -0.732 1.00 1.00 H new ATOM 0 HB2 PHE A 127 83.725 -8.576 -0.233 1.00 1.00 H new ATOM 0 HB3 PHE A 127 84.847 -9.545 -1.167 1.00 1.00 H new ATOM 0 HD1 PHE A 127 83.994 -10.672 -3.328 1.00 1.00 H new ATOM 0 HD2 PHE A 127 81.774 -7.649 -1.232 1.00 1.00 H new ATOM 0 HE1 PHE A 127 82.636 -10.255 -5.363 1.00 1.00 H new ATOM 0 HE2 PHE A 127 80.413 -7.237 -3.266 1.00 1.00 H new ATOM 0 HZ PHE A 127 80.848 -8.538 -5.332 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 65.716 4.388 -9.700 1.00 1.00 O HETATM 1906 N1 MTN A 128 65.947 4.128 -8.482 1.00 1.00 N HETATM 1907 C1 MTN A 128 67.041 3.258 -8.036 1.00 1.00 C HETATM 1908 C2 MTN A 128 66.839 3.323 -6.555 1.00 1.00 C HETATM 1909 C3 MTN A 128 65.825 4.077 -6.184 1.00 1.00 C HETATM 1910 C4 MTN A 128 65.396 4.323 -4.757 1.00 1.00 C HETATM 1911 S1 MTN A 128 66.021 5.858 -4.026 1.00 1.00 S HETATM 1912 C5 MTN A 128 65.111 4.691 -7.362 1.00 1.00 C HETATM 1913 C6 MTN A 128 63.628 4.314 -7.404 1.00 1.00 C HETATM 1914 C7 MTN A 128 65.280 6.203 -7.325 1.00 1.00 C HETATM 1915 C8 MTN A 128 66.874 1.836 -8.584 1.00 1.00 C HETATM 1916 C9 MTN A 128 68.377 3.866 -8.427 1.00 1.00 C HETATM 0 H93 MTN A 128 68.424 3.975 -9.510 1.00 1.00 H new HETATM 0 H92 MTN A 128 68.482 4.845 -7.959 1.00 1.00 H new HETATM 0 H91 MTN A 128 69.185 3.215 -8.093 1.00 1.00 H new HETATM 0 H83 MTN A 128 65.931 1.418 -8.231 1.00 1.00 H new HETATM 0 H82 MTN A 128 66.873 1.864 -9.674 1.00 1.00 H new HETATM 0 H81 MTN A 128 67.699 1.213 -8.237 1.00 1.00 H new HETATM 0 H73 MTN A 128 66.329 6.448 -7.158 1.00 1.00 H new HETATM 0 H72 MTN A 128 64.955 6.629 -8.274 1.00 1.00 H new HETATM 0 H71 MTN A 128 64.677 6.617 -6.516 1.00 1.00 H new HETATM 0 H63 MTN A 128 63.187 4.676 -8.333 1.00 1.00 H new HETATM 0 H62 MTN A 128 63.527 3.230 -7.352 1.00 1.00 H new HETATM 0 H61 MTN A 128 63.113 4.767 -6.557 1.00 1.00 H new HETATM 0 H42 MTN A 128 64.307 4.336 -4.718 1.00 1.00 H new HETATM 0 H41 MTN A 128 65.727 3.485 -4.144 1.00 1.00 H new HETATM 0 H2 MTN A 128 67.475 2.793 -5.846 1.00 1.00 H new HETATM 1932 O1 MTN A 129 70.324 -9.068 -5.914 1.00 1.00 O HETATM 1933 N1 MTN A 129 70.134 -8.337 -4.896 1.00 1.00 N HETATM 1934 C1 MTN A 129 69.076 -7.311 -4.828 1.00 1.00 C HETATM 1935 C2 MTN A 129 69.314 -6.788 -3.455 1.00 1.00 C HETATM 1936 C3 MTN A 129 70.311 -7.380 -2.821 1.00 1.00 C HETATM 1937 C4 MTN A 129 70.754 -7.067 -1.418 1.00 1.00 C HETATM 1938 S1 MTN A 129 71.482 -5.425 -1.169 1.00 1.00 S HETATM 1939 C5 MTN A 129 70.973 -8.452 -3.665 1.00 1.00 C HETATM 1940 C6 MTN A 129 72.463 -8.217 -3.882 1.00 1.00 C HETATM 1941 C7 MTN A 129 70.724 -9.826 -3.046 1.00 1.00 C HETATM 1942 C8 MTN A 129 69.236 -6.225 -5.885 1.00 1.00 C HETATM 1943 C9 MTN A 129 67.713 -7.975 -4.925 1.00 1.00 C HETATM 0 H93 MTN A 129 67.636 -8.511 -5.871 1.00 1.00 H new HETATM 0 H92 MTN A 129 67.590 -8.676 -4.099 1.00 1.00 H new HETATM 0 H91 MTN A 129 66.934 -7.215 -4.874 1.00 1.00 H new HETATM 0 H83 MTN A 129 70.194 -5.724 -5.749 1.00 1.00 H new HETATM 0 H82 MTN A 129 69.199 -6.675 -6.877 1.00 1.00 H new HETATM 0 H81 MTN A 129 68.429 -5.499 -5.786 1.00 1.00 H new HETATM 0 H73 MTN A 129 69.669 -9.924 -2.791 1.00 1.00 H new HETATM 0 H72 MTN A 129 70.998 -10.602 -3.760 1.00 1.00 H new HETATM 0 H71 MTN A 129 71.327 -9.933 -2.144 1.00 1.00 H new HETATM 0 H63 MTN A 129 72.847 -8.949 -4.593 1.00 1.00 H new HETATM 0 H62 MTN A 129 72.619 -7.213 -4.275 1.00 1.00 H new HETATM 0 H61 MTN A 129 72.990 -8.321 -2.933 1.00 1.00 H new HETATM 0 H42 MTN A 129 69.895 -7.167 -0.755 1.00 1.00 H new HETATM 0 H41 MTN A 129 71.483 -7.817 -1.111 1.00 1.00 H new HETATM 0 H2 MTN A 129 68.720 -5.989 -3.012 1.00 1.00 H new HETATM 1959 O1 MTN A 130 83.265 -10.070 5.068 1.00 1.00 O HETATM 1960 N1 MTN A 130 82.097 -9.588 5.139 1.00 1.00 N HETATM 1961 C1 MTN A 130 81.026 -10.193 5.951 1.00 1.00 C HETATM 1962 C2 MTN A 130 79.918 -9.253 5.658 1.00 1.00 C HETATM 1963 C3 MTN A 130 80.253 -8.277 4.837 1.00 1.00 C HETATM 1964 C4 MTN A 130 79.326 -7.194 4.390 1.00 1.00 C HETATM 1965 S1 MTN A 130 78.682 -6.137 5.724 1.00 1.00 S HETATM 1966 C5 MTN A 130 81.706 -8.364 4.403 1.00 1.00 C HETATM 1967 C6 MTN A 130 81.937 -8.438 2.878 1.00 1.00 C HETATM 1968 C7 MTN A 130 82.465 -7.213 5.042 1.00 1.00 C HETATM 1969 C8 MTN A 130 80.689 -11.613 5.521 1.00 1.00 C HETATM 1970 C9 MTN A 130 81.405 -10.137 7.426 1.00 1.00 C HETATM 0 H93 MTN A 130 82.333 -10.687 7.584 1.00 1.00 H new HETATM 0 H92 MTN A 130 81.543 -9.099 7.727 1.00 1.00 H new HETATM 0 H91 MTN A 130 80.611 -10.585 8.023 1.00 1.00 H new HETATM 0 H83 MTN A 130 80.357 -11.610 4.483 1.00 1.00 H new HETATM 0 H82 MTN A 130 81.574 -12.242 5.617 1.00 1.00 H new HETATM 0 H81 MTN A 130 79.894 -12.006 6.155 1.00 1.00 H new HETATM 0 H73 MTN A 130 82.192 -7.137 6.095 1.00 1.00 H new HETATM 0 H72 MTN A 130 83.537 -7.392 4.957 1.00 1.00 H new HETATM 0 H71 MTN A 130 82.211 -6.283 4.534 1.00 1.00 H new HETATM 0 H63 MTN A 130 82.995 -8.605 2.678 1.00 1.00 H new HETATM 0 H62 MTN A 130 81.355 -9.260 2.461 1.00 1.00 H new HETATM 0 H61 MTN A 130 81.624 -7.501 2.417 1.00 1.00 H new HETATM 0 H42 MTN A 130 79.847 -6.565 3.668 1.00 1.00 H new HETATM 0 H41 MTN A 130 78.484 -7.649 3.868 1.00 1.00 H new HETATM 0 H2 MTN A 130 78.919 -9.359 6.082 1.00 1.00 H new