USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.00537 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.0613 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 152:sc= -1.21 (180deg=-2.76!) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -2.36! C(o=-3!,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.0995 (180deg=-0.492) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 23 MET CE :methyl -140:sc= -4.49 (180deg=-10.7!) USER MOD Single : A 25 HIS : no HD1:sc= -2.98! C(o=-3!,f=-5.5!) USER MOD Single : A 27 MET CE :methyl 144:sc= -2.44 (180deg=-4.04!) USER MOD Single : A 37 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.11) USER MOD Single : A 47 CYS SG : rot -107:sc= -5.7! USER MOD Single : A 48 SER OG : rot 21:sc= 0.255 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.697 (180deg=-0.737) USER MOD Single : A 62 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-6.1!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -166:sc= -0.957 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -84:sc= -2.53! USER MOD Single : A 82 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.4) USER MOD Single : A 83 THR OG1 : rot 121:sc= 0.792 USER MOD Single : A 93 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 97 GLN :FLIP amide:sc= -4.61! C(o=-9.1!,f=-4.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -153:sc= 0.924 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0873 F(o=-0.61,f=-0.087) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.229 13.104 -35.970 1.00 0.00 N ATOM 2 CA GLY A 1 21.532 14.050 -34.912 1.00 0.00 C ATOM 3 C GLY A 1 20.700 13.813 -33.667 1.00 0.00 C ATOM 4 O GLY A 1 19.508 13.517 -33.756 1.00 0.00 O ATOM 0 H1 GLY A 1 21.141 13.611 -36.874 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.994 12.403 -36.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.334 12.619 -35.756 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.590 13.979 -34.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.358 15.063 -35.274 1.00 0.00 H new ATOM 8 N SER A 2 21.328 13.941 -32.503 1.00 0.00 N ATOM 9 CA SER A 2 20.639 13.734 -31.235 1.00 0.00 C ATOM 10 C SER A 2 20.260 15.068 -30.598 1.00 0.00 C ATOM 11 O SER A 2 19.149 15.234 -30.096 1.00 0.00 O ATOM 12 CB SER A 2 21.520 12.930 -30.277 1.00 0.00 C ATOM 13 OG SER A 2 20.847 12.678 -29.056 1.00 0.00 O ATOM 0 H SER A 2 22.314 14.187 -32.412 1.00 0.00 H new ATOM 0 HA SER A 2 19.725 13.174 -31.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.801 11.985 -30.743 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.443 13.476 -30.081 1.00 0.00 H new ATOM 0 HG SER A 2 21.430 12.162 -28.462 1.00 0.00 H new ATOM 19 N SER A 3 21.193 16.014 -30.624 1.00 0.00 N ATOM 20 CA SER A 3 20.960 17.333 -30.046 1.00 0.00 C ATOM 21 C SER A 3 20.375 17.215 -28.642 1.00 0.00 C ATOM 22 O SER A 3 19.458 17.948 -28.275 1.00 0.00 O ATOM 23 CB SER A 3 20.016 18.144 -30.936 1.00 0.00 C ATOM 24 OG SER A 3 20.681 18.599 -32.102 1.00 0.00 O ATOM 0 H SER A 3 22.117 15.892 -31.039 1.00 0.00 H new ATOM 0 HA SER A 3 21.919 17.848 -29.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.160 17.531 -31.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.628 18.997 -30.379 1.00 0.00 H new ATOM 0 HG SER A 3 20.056 19.113 -32.655 1.00 0.00 H new ATOM 30 N GLY A 4 20.915 16.285 -27.859 1.00 0.00 N ATOM 31 CA GLY A 4 20.436 16.086 -26.504 1.00 0.00 C ATOM 32 C GLY A 4 21.506 15.529 -25.586 1.00 0.00 C ATOM 33 O GLY A 4 22.471 14.919 -26.045 1.00 0.00 O ATOM 0 H GLY A 4 21.676 15.666 -28.140 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.078 17.035 -26.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.585 15.405 -26.519 1.00 0.00 H new ATOM 37 N SER A 5 21.336 15.741 -24.285 1.00 0.00 N ATOM 38 CA SER A 5 22.298 15.260 -23.300 1.00 0.00 C ATOM 39 C SER A 5 22.226 13.742 -23.166 1.00 0.00 C ATOM 40 O SER A 5 21.142 13.170 -23.050 1.00 0.00 O ATOM 41 CB SER A 5 22.042 15.917 -21.942 1.00 0.00 C ATOM 42 OG SER A 5 20.848 15.428 -21.357 1.00 0.00 O ATOM 0 H SER A 5 20.541 16.243 -23.888 1.00 0.00 H new ATOM 0 HA SER A 5 23.297 15.530 -23.643 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.883 15.723 -21.276 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.975 16.998 -22.064 1.00 0.00 H new ATOM 0 HG SER A 5 20.664 14.526 -21.694 1.00 0.00 H new ATOM 48 N SER A 6 23.387 13.097 -23.182 1.00 0.00 N ATOM 49 CA SER A 6 23.457 11.645 -23.066 1.00 0.00 C ATOM 50 C SER A 6 22.581 11.149 -21.919 1.00 0.00 C ATOM 51 O SER A 6 22.041 11.941 -21.148 1.00 0.00 O ATOM 52 CB SER A 6 24.904 11.198 -22.848 1.00 0.00 C ATOM 53 OG SER A 6 25.437 11.757 -21.660 1.00 0.00 O ATOM 0 H SER A 6 24.293 13.557 -23.274 1.00 0.00 H new ATOM 0 HA SER A 6 23.087 11.213 -23.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.948 10.110 -22.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.513 11.499 -23.700 1.00 0.00 H new ATOM 0 HG SER A 6 26.362 11.455 -21.543 1.00 0.00 H new ATOM 59 N GLY A 7 22.446 9.830 -21.814 1.00 0.00 N ATOM 60 CA GLY A 7 21.635 9.250 -20.759 1.00 0.00 C ATOM 61 C GLY A 7 22.380 9.154 -19.442 1.00 0.00 C ATOM 62 O GLY A 7 23.592 8.944 -19.420 1.00 0.00 O ATOM 0 H GLY A 7 22.883 9.154 -22.440 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.737 9.853 -20.622 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.308 8.255 -21.061 1.00 0.00 H new ATOM 66 N GLY A 8 21.652 9.308 -18.340 1.00 0.00 N ATOM 67 CA GLY A 8 22.268 9.236 -17.028 1.00 0.00 C ATOM 68 C GLY A 8 21.587 8.229 -16.122 1.00 0.00 C ATOM 69 O GLY A 8 20.507 8.476 -15.585 1.00 0.00 O ATOM 0 H GLY A 8 20.647 9.481 -18.333 1.00 0.00 H new ATOM 0 HA2 GLY A 8 23.319 8.969 -17.138 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.236 10.220 -16.561 1.00 0.00 H new ATOM 73 N PRO A 9 22.224 7.062 -15.943 1.00 0.00 N ATOM 74 CA PRO A 9 21.690 5.990 -15.097 1.00 0.00 C ATOM 75 C PRO A 9 21.726 6.349 -13.616 1.00 0.00 C ATOM 76 O PRO A 9 21.127 5.664 -12.787 1.00 0.00 O ATOM 77 CB PRO A 9 22.625 4.813 -15.385 1.00 0.00 C ATOM 78 CG PRO A 9 23.902 5.441 -15.826 1.00 0.00 C ATOM 79 CD PRO A 9 23.515 6.699 -16.553 1.00 0.00 C ATOM 0 HA PRO A 9 20.642 5.783 -15.314 1.00 0.00 H new ATOM 0 HB2 PRO A 9 22.772 4.198 -14.497 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.216 4.163 -16.158 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.542 5.665 -14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 9 24.462 4.770 -16.478 1.00 0.00 H new ATOM 0 HD2 PRO A 9 24.258 7.485 -16.419 1.00 0.00 H new ATOM 0 HD3 PRO A 9 23.419 6.530 -17.626 1.00 0.00 H new ATOM 87 N SER A 10 22.432 7.427 -13.290 1.00 0.00 N ATOM 88 CA SER A 10 22.548 7.875 -11.907 1.00 0.00 C ATOM 89 C SER A 10 21.179 7.930 -11.237 1.00 0.00 C ATOM 90 O SER A 10 20.150 7.737 -11.885 1.00 0.00 O ATOM 91 CB SER A 10 23.213 9.252 -11.848 1.00 0.00 C ATOM 92 OG SER A 10 22.389 10.241 -12.440 1.00 0.00 O ATOM 0 H SER A 10 22.932 8.006 -13.964 1.00 0.00 H new ATOM 0 HA SER A 10 23.168 7.157 -11.370 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.417 9.517 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.173 9.218 -12.363 1.00 0.00 H new ATOM 0 HG SER A 10 22.835 11.112 -12.388 1.00 0.00 H new ATOM 98 N ARG A 11 21.174 8.194 -9.934 1.00 0.00 N ATOM 99 CA ARG A 11 19.932 8.274 -9.175 1.00 0.00 C ATOM 100 C ARG A 11 19.572 9.726 -8.872 1.00 0.00 C ATOM 101 O ARG A 11 20.438 10.533 -8.537 1.00 0.00 O ATOM 102 CB ARG A 11 20.056 7.486 -7.870 1.00 0.00 C ATOM 103 CG ARG A 11 20.009 5.979 -8.061 1.00 0.00 C ATOM 104 CD ARG A 11 19.756 5.257 -6.747 1.00 0.00 C ATOM 105 NE ARG A 11 18.331 5.073 -6.490 1.00 0.00 N ATOM 106 CZ ARG A 11 17.543 4.303 -7.232 1.00 0.00 C ATOM 107 NH1 ARG A 11 18.041 3.649 -8.273 1.00 0.00 N ATOM 108 NH2 ARG A 11 16.256 4.185 -6.935 1.00 0.00 N ATOM 0 H ARG A 11 22.016 8.356 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 11 19.137 7.839 -9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 11 20.994 7.753 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.251 7.784 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.224 5.726 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 11 20.951 5.636 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.249 4.285 -6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 11 20.202 5.824 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 11 17.917 5.563 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.030 3.737 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.435 3.058 -8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.869 4.686 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.653 3.593 -7.506 1.00 0.00 H new ATOM 122 N MET A 12 18.289 10.049 -8.995 1.00 0.00 N ATOM 123 CA MET A 12 17.814 11.403 -8.734 1.00 0.00 C ATOM 124 C MET A 12 18.226 11.864 -7.339 1.00 0.00 C ATOM 125 O MET A 12 18.537 11.048 -6.472 1.00 0.00 O ATOM 126 CB MET A 12 16.292 11.469 -8.876 1.00 0.00 C ATOM 127 CG MET A 12 15.793 11.064 -10.254 1.00 0.00 C ATOM 128 SD MET A 12 15.685 12.459 -11.391 1.00 0.00 S ATOM 129 CE MET A 12 14.283 11.970 -12.394 1.00 0.00 C ATOM 0 H MET A 12 17.560 9.392 -9.274 1.00 0.00 H new ATOM 0 HA MET A 12 18.269 12.069 -9.467 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.837 10.820 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 12 15.959 12.484 -8.662 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.461 10.311 -10.671 1.00 0.00 H new ATOM 0 HG3 MET A 12 14.811 10.601 -10.159 1.00 0.00 H new ATOM 0 HE1 MET A 12 13.782 12.859 -12.777 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.628 11.360 -13.229 1.00 0.00 H new ATOM 0 HE3 MET A 12 13.585 11.393 -11.787 1.00 0.00 H new ATOM 139 N ARG A 13 18.227 13.177 -7.131 1.00 0.00 N ATOM 140 CA ARG A 13 18.603 13.746 -5.843 1.00 0.00 C ATOM 141 C ARG A 13 17.540 14.724 -5.350 1.00 0.00 C ATOM 142 O ARG A 13 17.716 15.940 -5.428 1.00 0.00 O ATOM 143 CB ARG A 13 19.954 14.456 -5.949 1.00 0.00 C ATOM 144 CG ARG A 13 20.653 14.639 -4.612 1.00 0.00 C ATOM 145 CD ARG A 13 21.318 13.352 -4.149 1.00 0.00 C ATOM 146 NE ARG A 13 22.691 13.240 -4.635 1.00 0.00 N ATOM 147 CZ ARG A 13 23.441 12.156 -4.474 1.00 0.00 C ATOM 148 NH1 ARG A 13 22.954 11.097 -3.843 1.00 0.00 N ATOM 149 NH2 ARG A 13 24.681 12.131 -4.944 1.00 0.00 N ATOM 0 H ARG A 13 17.972 13.866 -7.838 1.00 0.00 H new ATOM 0 HA ARG A 13 18.684 12.931 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.603 13.886 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.806 15.433 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 13 21.402 15.426 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.930 14.966 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 13 21.315 13.314 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 13 20.738 12.498 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 13 23.096 14.038 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.001 11.113 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 13 23.532 10.266 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 13 25.059 12.945 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 13 25.257 11.298 -4.820 1.00 0.00 H new ATOM 163 N HIS A 14 16.437 14.184 -4.842 1.00 0.00 N ATOM 164 CA HIS A 14 15.346 15.008 -4.335 1.00 0.00 C ATOM 165 C HIS A 14 14.281 14.147 -3.664 1.00 0.00 C ATOM 166 O HIS A 14 14.323 12.920 -3.741 1.00 0.00 O ATOM 167 CB HIS A 14 14.721 15.819 -5.472 1.00 0.00 C ATOM 168 CG HIS A 14 14.487 15.021 -6.718 1.00 0.00 C ATOM 169 ND1 HIS A 14 13.735 13.916 -6.934 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 15.064 15.333 -7.931 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 13.869 13.586 -8.260 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 14.676 14.457 -8.839 1.00 0.00 N flip ATOM 0 H HIS A 14 16.275 13.179 -4.771 1.00 0.00 H new ATOM 0 HA HIS A 14 15.755 15.692 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.772 16.234 -5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.371 16.662 -5.707 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.730 16.164 -8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.392 12.750 -8.750 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.952 14.453 -9.821 1.00 0.00 H new ATOM 180 N GLU A 15 13.328 14.799 -3.004 1.00 0.00 N ATOM 181 CA GLU A 15 12.254 14.092 -2.318 1.00 0.00 C ATOM 182 C GLU A 15 11.265 13.501 -3.319 1.00 0.00 C ATOM 183 O GLU A 15 10.576 14.231 -4.032 1.00 0.00 O ATOM 184 CB GLU A 15 11.523 15.034 -1.359 1.00 0.00 C ATOM 185 CG GLU A 15 12.372 15.482 -0.181 1.00 0.00 C ATOM 186 CD GLU A 15 13.587 16.284 -0.609 1.00 0.00 C ATOM 187 OE1 GLU A 15 13.458 17.516 -0.771 1.00 0.00 O ATOM 188 OE2 GLU A 15 14.665 15.679 -0.782 1.00 0.00 O ATOM 0 H GLU A 15 13.279 15.815 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 15 12.698 13.277 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.189 15.913 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.630 14.535 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.763 16.084 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.698 14.607 0.381 1.00 0.00 H new ATOM 195 N ARG A 16 11.202 12.174 -3.366 1.00 0.00 N ATOM 196 CA ARG A 16 10.300 11.484 -4.280 1.00 0.00 C ATOM 197 C ARG A 16 9.505 10.406 -3.550 1.00 0.00 C ATOM 198 O ARG A 16 9.020 9.455 -4.163 1.00 0.00 O ATOM 199 CB ARG A 16 11.087 10.860 -5.433 1.00 0.00 C ATOM 200 CG ARG A 16 12.023 9.744 -4.998 1.00 0.00 C ATOM 201 CD ARG A 16 13.054 9.431 -6.071 1.00 0.00 C ATOM 202 NE ARG A 16 14.131 8.583 -5.565 1.00 0.00 N ATOM 203 CZ ARG A 16 15.178 9.048 -4.893 1.00 0.00 C ATOM 204 NH1 ARG A 16 15.290 10.346 -4.648 1.00 0.00 N ATOM 205 NH2 ARG A 16 16.117 8.214 -4.465 1.00 0.00 N ATOM 0 H ARG A 16 11.765 11.556 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 16 9.600 12.217 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.386 10.468 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.668 11.638 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.531 10.032 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.444 8.848 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.565 8.935 -6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.474 10.362 -6.452 1.00 0.00 H new ATOM 0 HE ARG A 16 14.076 7.579 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.571 10.991 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.095 10.700 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.035 7.215 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.921 8.572 -3.949 1.00 0.00 H new ATOM 219 N VAL A 17 9.377 10.560 -2.236 1.00 0.00 N ATOM 220 CA VAL A 17 8.641 9.601 -1.421 1.00 0.00 C ATOM 221 C VAL A 17 7.486 10.274 -0.688 1.00 0.00 C ATOM 222 O VAL A 17 7.593 11.423 -0.261 1.00 0.00 O ATOM 223 CB VAL A 17 9.561 8.918 -0.391 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.806 7.834 0.363 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.793 8.345 -1.074 1.00 0.00 C ATOM 0 H VAL A 17 9.774 11.341 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 17 8.245 8.846 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 17 9.889 9.667 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.472 7.363 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.958 8.277 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.446 7.084 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.431 7.866 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.487 7.609 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.344 9.148 -1.563 1.00 0.00 H new ATOM 235 N VAL A 18 6.381 9.549 -0.545 1.00 0.00 N ATOM 236 CA VAL A 18 5.205 10.074 0.138 1.00 0.00 C ATOM 237 C VAL A 18 4.804 9.183 1.307 1.00 0.00 C ATOM 238 O VAL A 18 5.030 7.973 1.284 1.00 0.00 O ATOM 239 CB VAL A 18 4.010 10.208 -0.825 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.467 10.744 -2.173 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.304 8.870 -0.985 1.00 0.00 C ATOM 0 H VAL A 18 6.276 8.596 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 18 5.472 11.062 0.514 1.00 0.00 H new ATOM 0 HB VAL A 18 3.301 10.919 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.609 10.832 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.924 11.724 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.196 10.060 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.462 8.982 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.002 8.136 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.941 8.532 -0.014 1.00 0.00 H new ATOM 251 N ILE A 19 4.208 9.788 2.329 1.00 0.00 N ATOM 252 CA ILE A 19 3.775 9.049 3.507 1.00 0.00 C ATOM 253 C ILE A 19 2.259 9.101 3.662 1.00 0.00 C ATOM 254 O ILE A 19 1.615 10.064 3.244 1.00 0.00 O ATOM 255 CB ILE A 19 4.430 9.597 4.789 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.923 9.839 4.561 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.214 8.635 5.947 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.646 8.647 3.974 1.00 0.00 C ATOM 0 H ILE A 19 4.014 10.789 2.364 1.00 0.00 H new ATOM 0 HA ILE A 19 4.088 8.015 3.363 1.00 0.00 H new ATOM 0 HB ILE A 19 3.961 10.548 5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.047 10.693 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.389 10.105 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.683 9.036 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.145 8.509 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.659 7.670 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.700 8.891 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.554 7.797 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.206 8.394 3.009 1.00 0.00 H new ATOM 270 N ILE A 20 1.695 8.062 4.268 1.00 0.00 N ATOM 271 CA ILE A 20 0.255 7.991 4.481 1.00 0.00 C ATOM 272 C ILE A 20 -0.070 7.565 5.909 1.00 0.00 C ATOM 273 O ILE A 20 0.631 6.741 6.497 1.00 0.00 O ATOM 274 CB ILE A 20 -0.412 7.008 3.501 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.229 7.122 2.116 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.908 7.272 3.421 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.251 8.318 1.324 1.00 0.00 C ATOM 0 H ILE A 20 2.214 7.257 4.620 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.139 8.992 4.304 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.261 5.993 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.311 7.182 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.018 6.214 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.365 6.569 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.353 7.146 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.080 8.291 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.245 8.335 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.329 8.249 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.016 9.233 1.868 1.00 0.00 H new ATOM 289 N LYS A 21 -1.137 8.132 6.461 1.00 0.00 N ATOM 290 CA LYS A 21 -1.558 7.810 7.820 1.00 0.00 C ATOM 291 C LYS A 21 -3.005 7.329 7.841 1.00 0.00 C ATOM 292 O LYS A 21 -3.789 7.649 6.948 1.00 0.00 O ATOM 293 CB LYS A 21 -1.402 9.032 8.727 1.00 0.00 C ATOM 294 CG LYS A 21 0.038 9.485 8.895 1.00 0.00 C ATOM 295 CD LYS A 21 0.969 8.307 9.129 1.00 0.00 C ATOM 296 CE LYS A 21 2.148 8.695 10.009 1.00 0.00 C ATOM 297 NZ LYS A 21 1.716 9.050 11.389 1.00 0.00 N ATOM 0 H LYS A 21 -1.727 8.817 5.988 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.921 7.007 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.988 9.855 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.818 8.802 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.355 10.030 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.107 10.177 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.416 7.493 9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.335 7.935 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.857 7.868 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.671 9.541 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.499 8.880 12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.446 10.054 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.900 8.464 11.659 1.00 0.00 H new ATOM 311 N ASN A 22 -3.354 6.561 8.868 1.00 0.00 N ATOM 312 CA ASN A 22 -4.708 6.037 9.006 1.00 0.00 C ATOM 313 C ASN A 22 -5.161 5.355 7.719 1.00 0.00 C ATOM 314 O ASN A 22 -6.202 5.695 7.158 1.00 0.00 O ATOM 315 CB ASN A 22 -5.678 7.163 9.369 1.00 0.00 C ATOM 316 CG ASN A 22 -6.841 6.675 10.210 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.651 6.145 11.305 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.055 6.852 9.701 1.00 0.00 N ATOM 0 H ASN A 22 -2.718 6.288 9.617 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.705 5.297 9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.141 7.940 9.913 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.060 7.619 8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.876 6.544 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.166 7.296 8.790 1.00 0.00 H new ATOM 325 N MET A 23 -4.371 4.390 7.257 1.00 0.00 N ATOM 326 CA MET A 23 -4.693 3.659 6.037 1.00 0.00 C ATOM 327 C MET A 23 -4.802 2.163 6.313 1.00 0.00 C ATOM 328 O MET A 23 -5.419 1.423 5.546 1.00 0.00 O ATOM 329 CB MET A 23 -3.629 3.916 4.968 1.00 0.00 C ATOM 330 CG MET A 23 -2.213 3.622 5.437 1.00 0.00 C ATOM 331 SD MET A 23 -1.112 3.174 4.081 1.00 0.00 S ATOM 332 CE MET A 23 -2.021 1.821 3.340 1.00 0.00 C ATOM 0 H MET A 23 -3.505 4.097 7.709 1.00 0.00 H new ATOM 0 HA MET A 23 -5.657 4.015 5.673 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.848 3.303 4.094 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.689 4.957 4.650 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.815 4.498 5.949 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.236 2.811 6.164 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.326 1.035 3.045 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.734 1.423 4.062 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.557 2.181 2.462 1.00 0.00 H new ATOM 342 N PHE A 24 -4.199 1.723 7.413 1.00 0.00 N ATOM 343 CA PHE A 24 -4.227 0.314 7.789 1.00 0.00 C ATOM 344 C PHE A 24 -3.944 0.143 9.278 1.00 0.00 C ATOM 345 O PHE A 24 -3.602 1.102 9.971 1.00 0.00 O ATOM 346 CB PHE A 24 -3.204 -0.475 6.969 1.00 0.00 C ATOM 347 CG PHE A 24 -1.780 -0.129 7.296 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.182 -0.613 8.448 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.038 0.679 6.450 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.129 -0.295 8.751 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.273 1.000 6.747 1.00 0.00 C ATOM 352 CZ PHE A 24 0.857 0.511 7.899 1.00 0.00 C ATOM 0 H PHE A 24 -3.685 2.322 8.059 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.225 -0.072 7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.359 -1.541 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.380 -0.291 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.746 -1.246 9.117 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.490 1.063 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.583 -0.677 9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.840 1.632 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.882 0.759 8.133 1.00 0.00 H new ATOM 362 N HIS A 25 -4.090 -1.086 9.765 1.00 0.00 N ATOM 363 CA HIS A 25 -3.850 -1.384 11.173 1.00 0.00 C ATOM 364 C HIS A 25 -3.220 -2.764 11.336 1.00 0.00 C ATOM 365 O HIS A 25 -3.563 -3.716 10.636 1.00 0.00 O ATOM 366 CB HIS A 25 -5.157 -1.311 11.961 1.00 0.00 C ATOM 367 CG HIS A 25 -4.975 -0.885 13.385 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.751 -1.775 14.414 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.983 0.345 13.950 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.630 -1.111 15.550 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.767 0.178 15.295 1.00 0.00 N ATOM 0 H HIS A 25 -4.373 -1.891 9.206 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.157 -0.639 11.564 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.832 -0.613 11.465 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.638 -2.289 11.942 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.132 1.284 13.437 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.450 -1.548 16.521 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.720 0.927 15.985 1.00 0.00 H new ATOM 379 N PRO A 26 -2.274 -2.875 12.281 1.00 0.00 N ATOM 380 CA PRO A 26 -1.576 -4.134 12.558 1.00 0.00 C ATOM 381 C PRO A 26 -2.486 -5.171 13.207 1.00 0.00 C ATOM 382 O PRO A 26 -2.488 -6.338 12.819 1.00 0.00 O ATOM 383 CB PRO A 26 -0.464 -3.718 13.524 1.00 0.00 C ATOM 384 CG PRO A 26 -0.977 -2.485 14.184 1.00 0.00 C ATOM 385 CD PRO A 26 -1.814 -1.781 13.152 1.00 0.00 C ATOM 0 HA PRO A 26 -1.212 -4.607 11.646 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.260 -4.502 14.253 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.469 -3.525 12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.570 -2.732 15.065 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.156 -1.851 14.519 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.651 -1.251 13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.233 -1.044 12.598 1.00 0.00 H new ATOM 393 N MET A 27 -3.258 -4.736 14.197 1.00 0.00 N ATOM 394 CA MET A 27 -4.175 -5.627 14.900 1.00 0.00 C ATOM 395 C MET A 27 -5.168 -6.259 13.930 1.00 0.00 C ATOM 396 O MET A 27 -5.885 -7.195 14.284 1.00 0.00 O ATOM 397 CB MET A 27 -4.926 -4.864 15.992 1.00 0.00 C ATOM 398 CG MET A 27 -4.028 -4.368 17.114 1.00 0.00 C ATOM 399 SD MET A 27 -3.777 -5.606 18.401 1.00 0.00 S ATOM 400 CE MET A 27 -2.466 -6.587 17.675 1.00 0.00 C ATOM 0 H MET A 27 -3.267 -3.772 14.531 1.00 0.00 H new ATOM 0 HA MET A 27 -3.588 -6.421 15.361 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.437 -4.012 15.543 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.695 -5.511 16.413 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.062 -4.079 16.700 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.466 -3.473 17.556 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.787 -6.924 18.458 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.896 -7.452 17.170 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.916 -5.983 16.954 1.00 0.00 H new ATOM 410 N ASP A 28 -5.204 -5.743 12.707 1.00 0.00 N ATOM 411 CA ASP A 28 -6.109 -6.258 11.686 1.00 0.00 C ATOM 412 C ASP A 28 -5.468 -7.413 10.923 1.00 0.00 C ATOM 413 O ASP A 28 -6.134 -8.389 10.579 1.00 0.00 O ATOM 414 CB ASP A 28 -6.503 -5.144 10.714 1.00 0.00 C ATOM 415 CG ASP A 28 -7.731 -4.383 11.172 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.750 -5.034 11.486 1.00 0.00 O ATOM 417 OD2 ASP A 28 -7.674 -3.137 11.217 1.00 0.00 O ATOM 0 H ASP A 28 -4.617 -4.968 12.398 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.005 -6.629 12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.669 -4.450 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.692 -5.574 9.730 1.00 0.00 H new ATOM 422 N PHE A 29 -4.170 -7.293 10.661 1.00 0.00 N ATOM 423 CA PHE A 29 -3.438 -8.326 9.937 1.00 0.00 C ATOM 424 C PHE A 29 -3.348 -9.608 10.761 1.00 0.00 C ATOM 425 O PHE A 29 -3.171 -10.696 10.215 1.00 0.00 O ATOM 426 CB PHE A 29 -2.033 -7.834 9.584 1.00 0.00 C ATOM 427 CG PHE A 29 -2.002 -6.416 9.088 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.944 -5.966 8.177 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.031 -5.534 9.533 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.917 -4.663 7.718 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.999 -4.229 9.078 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.944 -3.793 8.171 1.00 0.00 C ATOM 0 H PHE A 29 -3.604 -6.491 10.939 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.981 -8.543 9.017 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.396 -7.917 10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.609 -8.487 8.821 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.708 -6.641 7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.290 -5.870 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.655 -4.325 7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.236 -3.552 9.432 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.923 -2.773 7.816 1.00 0.00 H new ATOM 442 N GLU A 30 -3.472 -9.468 12.077 1.00 0.00 N ATOM 443 CA GLU A 30 -3.403 -10.614 12.976 1.00 0.00 C ATOM 444 C GLU A 30 -4.623 -11.514 12.804 1.00 0.00 C ATOM 445 O GLU A 30 -4.627 -12.663 13.246 1.00 0.00 O ATOM 446 CB GLU A 30 -3.301 -10.145 14.429 1.00 0.00 C ATOM 447 CG GLU A 30 -2.062 -9.313 14.715 1.00 0.00 C ATOM 448 CD GLU A 30 -1.590 -9.444 16.150 1.00 0.00 C ATOM 449 OE1 GLU A 30 -2.023 -10.395 16.833 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.787 -8.594 16.589 1.00 0.00 O ATOM 0 H GLU A 30 -3.621 -8.573 12.544 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.511 -11.188 12.724 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.186 -9.559 14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.302 -11.016 15.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.260 -9.619 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.275 -8.266 14.501 1.00 0.00 H new ATOM 457 N ASP A 31 -5.657 -10.983 12.161 1.00 0.00 N ATOM 458 CA ASP A 31 -6.884 -11.737 11.931 1.00 0.00 C ATOM 459 C ASP A 31 -6.904 -12.324 10.523 1.00 0.00 C ATOM 460 O ASP A 31 -7.465 -13.396 10.294 1.00 0.00 O ATOM 461 CB ASP A 31 -8.106 -10.841 12.141 1.00 0.00 C ATOM 462 CG ASP A 31 -9.332 -11.354 11.412 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.532 -12.587 11.383 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.092 -10.524 10.872 1.00 0.00 O ATOM 0 H ASP A 31 -5.670 -10.033 11.790 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.918 -12.557 12.648 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.323 -10.772 13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.877 -9.833 11.796 1.00 0.00 H new ATOM 469 N ASP A 32 -6.290 -11.614 9.583 1.00 0.00 N ATOM 470 CA ASP A 32 -6.237 -12.065 8.197 1.00 0.00 C ATOM 471 C ASP A 32 -5.242 -11.233 7.392 1.00 0.00 C ATOM 472 O ASP A 32 -5.158 -10.013 7.534 1.00 0.00 O ATOM 473 CB ASP A 32 -7.624 -11.981 7.558 1.00 0.00 C ATOM 474 CG ASP A 32 -8.420 -13.259 7.734 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.797 -14.334 7.861 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.667 -13.184 7.745 1.00 0.00 O ATOM 0 H ASP A 32 -5.822 -10.724 9.755 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.904 -13.103 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.174 -11.150 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.519 -11.765 6.495 1.00 0.00 H new ATOM 481 N PRO A 33 -4.469 -11.908 6.529 1.00 0.00 N ATOM 482 CA PRO A 33 -3.466 -11.251 5.685 1.00 0.00 C ATOM 483 C PRO A 33 -4.097 -10.388 4.598 1.00 0.00 C ATOM 484 O PRO A 33 -3.588 -9.316 4.268 1.00 0.00 O ATOM 485 CB PRO A 33 -2.704 -12.424 5.062 1.00 0.00 C ATOM 486 CG PRO A 33 -3.672 -13.556 5.078 1.00 0.00 C ATOM 487 CD PRO A 33 -4.515 -13.363 6.308 1.00 0.00 C ATOM 0 HA PRO A 33 -2.835 -10.570 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.382 -12.193 4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.807 -12.662 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.288 -13.555 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.152 -14.514 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.536 -13.714 6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.114 -13.912 7.160 1.00 0.00 H new ATOM 495 N LEU A 34 -5.208 -10.861 4.045 1.00 0.00 N ATOM 496 CA LEU A 34 -5.910 -10.132 2.994 1.00 0.00 C ATOM 497 C LEU A 34 -5.885 -8.631 3.263 1.00 0.00 C ATOM 498 O LEU A 34 -5.564 -7.837 2.379 1.00 0.00 O ATOM 499 CB LEU A 34 -7.356 -10.619 2.888 1.00 0.00 C ATOM 500 CG LEU A 34 -7.572 -11.921 2.116 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.599 -11.657 0.619 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.487 -12.931 2.462 1.00 0.00 C ATOM 0 H LEU A 34 -5.642 -11.746 4.307 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.399 -10.322 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.749 -10.749 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.948 -9.836 2.413 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.536 -12.338 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.754 -12.596 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.412 -10.969 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.651 -11.217 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.656 -13.852 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.512 -12.521 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.516 -13.144 3.531 1.00 0.00 H new ATOM 514 N VAL A 35 -6.223 -8.249 4.490 1.00 0.00 N ATOM 515 CA VAL A 35 -6.237 -6.843 4.877 1.00 0.00 C ATOM 516 C VAL A 35 -5.003 -6.118 4.353 1.00 0.00 C ATOM 517 O VAL A 35 -5.112 -5.131 3.623 1.00 0.00 O ATOM 518 CB VAL A 35 -6.301 -6.683 6.408 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.284 -5.211 6.792 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.537 -7.374 6.964 1.00 0.00 C ATOM 0 H VAL A 35 -6.491 -8.894 5.234 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.130 -6.401 4.435 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.421 -7.157 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.330 -5.117 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.366 -4.750 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.144 -4.709 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.566 -7.251 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.430 -6.931 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.501 -8.436 6.720 1.00 0.00 H new ATOM 530 N LEU A 36 -3.828 -6.612 4.728 1.00 0.00 N ATOM 531 CA LEU A 36 -2.572 -6.011 4.295 1.00 0.00 C ATOM 532 C LEU A 36 -2.394 -6.148 2.786 1.00 0.00 C ATOM 533 O LEU A 36 -1.846 -5.261 2.133 1.00 0.00 O ATOM 534 CB LEU A 36 -1.394 -6.665 5.020 1.00 0.00 C ATOM 535 CG LEU A 36 -0.077 -5.890 4.996 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.143 -4.695 5.935 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.085 -6.799 5.370 1.00 0.00 C ATOM 0 H LEU A 36 -3.719 -7.427 5.331 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.601 -4.950 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.678 -6.827 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.222 -7.647 4.580 1.00 0.00 H new ATOM 0 HG LEU A 36 0.086 -5.522 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.804 -4.156 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.949 -4.031 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.331 -5.041 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.014 -6.230 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.928 -7.197 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.147 -7.622 4.658 1.00 0.00 H new ATOM 549 N ASN A 37 -2.863 -7.265 2.240 1.00 0.00 N ATOM 550 CA ASN A 37 -2.757 -7.517 0.807 1.00 0.00 C ATOM 551 C ASN A 37 -3.495 -6.446 0.010 1.00 0.00 C ATOM 552 O ASN A 37 -2.887 -5.703 -0.759 1.00 0.00 O ATOM 553 CB ASN A 37 -3.320 -8.899 0.469 1.00 0.00 C ATOM 554 CG ASN A 37 -2.283 -9.996 0.608 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.218 -9.941 -0.008 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.590 -11.001 1.421 1.00 0.00 N ATOM 0 H ASN A 37 -3.320 -8.009 2.767 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.702 -7.485 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.163 -9.115 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.703 -8.892 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.931 -11.768 1.555 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.484 -11.005 1.911 1.00 0.00 H new ATOM 563 N GLU A 38 -4.808 -6.374 0.201 1.00 0.00 N ATOM 564 CA GLU A 38 -5.629 -5.393 -0.501 1.00 0.00 C ATOM 565 C GLU A 38 -5.098 -3.980 -0.277 1.00 0.00 C ATOM 566 O GLU A 38 -5.017 -3.182 -1.211 1.00 0.00 O ATOM 567 CB GLU A 38 -7.083 -5.484 -0.034 1.00 0.00 C ATOM 568 CG GLU A 38 -7.235 -6.011 1.383 1.00 0.00 C ATOM 569 CD GLU A 38 -8.438 -5.426 2.097 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.311 -4.323 2.668 1.00 0.00 O ATOM 571 OE2 GLU A 38 -9.507 -6.072 2.084 1.00 0.00 O ATOM 0 H GLU A 38 -5.326 -6.982 0.835 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.584 -5.615 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.538 -4.496 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.635 -6.132 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.326 -7.097 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.333 -5.782 1.951 1.00 0.00 H new ATOM 578 N ILE A 39 -4.740 -3.679 0.966 1.00 0.00 N ATOM 579 CA ILE A 39 -4.217 -2.364 1.313 1.00 0.00 C ATOM 580 C ILE A 39 -2.936 -2.061 0.544 1.00 0.00 C ATOM 581 O ILE A 39 -2.830 -1.034 -0.127 1.00 0.00 O ATOM 582 CB ILE A 39 -3.935 -2.250 2.823 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.243 -2.306 3.614 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.182 -0.963 3.125 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.051 -2.635 5.078 1.00 0.00 C ATOM 0 H ILE A 39 -4.803 -4.328 1.750 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.983 -1.638 1.039 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.313 -3.092 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.750 -1.345 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.898 -3.053 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.990 -0.897 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.235 -0.961 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.781 -0.109 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.020 -2.658 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.572 -3.609 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.422 -1.875 5.542 1.00 0.00 H new ATOM 597 N ARG A 40 -1.965 -2.963 0.643 1.00 0.00 N ATOM 598 CA ARG A 40 -0.690 -2.793 -0.044 1.00 0.00 C ATOM 599 C ARG A 40 -0.905 -2.537 -1.533 1.00 0.00 C ATOM 600 O ARG A 40 -0.497 -1.503 -2.059 1.00 0.00 O ATOM 601 CB ARG A 40 0.187 -4.032 0.150 1.00 0.00 C ATOM 602 CG ARG A 40 1.659 -3.787 -0.139 1.00 0.00 C ATOM 603 CD ARG A 40 2.374 -5.074 -0.519 1.00 0.00 C ATOM 604 NE ARG A 40 2.815 -5.822 0.655 1.00 0.00 N ATOM 605 CZ ARG A 40 3.684 -6.826 0.602 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.201 -7.199 -0.560 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.036 -7.459 1.714 1.00 0.00 N ATOM 0 H ARG A 40 -2.037 -3.819 1.192 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.186 -1.928 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.081 -4.385 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.175 -4.828 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.756 -3.063 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.135 -3.350 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.707 -5.696 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.236 -4.839 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 40 2.436 -5.560 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.932 -6.715 -1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.868 -7.970 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.639 -7.175 2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.703 -8.230 1.673 1.00 0.00 H new ATOM 621 N GLU A 41 -1.548 -3.487 -2.205 1.00 0.00 N ATOM 622 CA GLU A 41 -1.815 -3.364 -3.633 1.00 0.00 C ATOM 623 C GLU A 41 -2.561 -2.068 -3.937 1.00 0.00 C ATOM 624 O GLU A 41 -2.343 -1.443 -4.975 1.00 0.00 O ATOM 625 CB GLU A 41 -2.629 -4.562 -4.127 1.00 0.00 C ATOM 626 CG GLU A 41 -4.131 -4.336 -4.085 1.00 0.00 C ATOM 627 CD GLU A 41 -4.913 -5.630 -3.968 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.334 -6.633 -3.501 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.104 -5.639 -4.344 1.00 0.00 O ATOM 0 H GLU A 41 -1.893 -4.349 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.859 -3.344 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.333 -4.794 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.384 -5.433 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.374 -3.691 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.441 -3.809 -4.988 1.00 0.00 H new ATOM 636 N ASP A 42 -3.442 -1.671 -3.025 1.00 0.00 N ATOM 637 CA ASP A 42 -4.220 -0.450 -3.195 1.00 0.00 C ATOM 638 C ASP A 42 -3.305 0.765 -3.318 1.00 0.00 C ATOM 639 O ASP A 42 -3.519 1.633 -4.165 1.00 0.00 O ATOM 640 CB ASP A 42 -5.179 -0.263 -2.018 1.00 0.00 C ATOM 641 CG ASP A 42 -6.527 -0.914 -2.261 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.571 -1.938 -2.974 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.538 -0.399 -1.739 1.00 0.00 O ATOM 0 H ASP A 42 -3.635 -2.177 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.798 -0.542 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.732 -0.685 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.321 0.802 -1.834 1.00 0.00 H new ATOM 648 N LEU A 43 -2.286 0.820 -2.468 1.00 0.00 N ATOM 649 CA LEU A 43 -1.338 1.929 -2.481 1.00 0.00 C ATOM 650 C LEU A 43 -0.506 1.919 -3.760 1.00 0.00 C ATOM 651 O LEU A 43 -0.044 2.964 -4.219 1.00 0.00 O ATOM 652 CB LEU A 43 -0.419 1.854 -1.261 1.00 0.00 C ATOM 653 CG LEU A 43 -0.861 2.658 -0.037 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.127 2.477 1.105 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.007 4.130 -0.391 1.00 0.00 C ATOM 0 H LEU A 43 -2.095 0.110 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.904 2.860 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.322 0.809 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.573 2.196 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.832 2.285 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.203 3.056 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.181 1.422 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.112 2.823 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.322 4.687 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.050 4.517 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.754 4.243 -1.177 1.00 0.00 H new ATOM 667 N ARG A 44 -0.321 0.734 -4.331 1.00 0.00 N ATOM 668 CA ARG A 44 0.454 0.588 -5.557 1.00 0.00 C ATOM 669 C ARG A 44 -0.396 0.923 -6.780 1.00 0.00 C ATOM 670 O ARG A 44 0.117 1.394 -7.795 1.00 0.00 O ATOM 671 CB ARG A 44 0.998 -0.836 -5.676 1.00 0.00 C ATOM 672 CG ARG A 44 2.231 -0.945 -6.558 1.00 0.00 C ATOM 673 CD ARG A 44 3.008 -2.221 -6.274 1.00 0.00 C ATOM 674 NE ARG A 44 3.715 -2.707 -7.456 1.00 0.00 N ATOM 675 CZ ARG A 44 3.106 -3.250 -8.504 1.00 0.00 C ATOM 676 NH1 ARG A 44 1.786 -3.376 -8.517 1.00 0.00 N ATOM 677 NH2 ARG A 44 3.817 -3.668 -9.543 1.00 0.00 N ATOM 0 H ARG A 44 -0.698 -0.140 -3.964 1.00 0.00 H new ATOM 0 HA ARG A 44 1.290 1.286 -5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.240 -1.208 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.217 -1.482 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.933 -0.925 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.875 -0.081 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.724 -2.038 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.323 -2.991 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 44 4.731 -2.625 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.235 -3.055 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.321 -3.793 -9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.833 -3.573 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.348 -4.085 -10.347 1.00 0.00 H new ATOM 691 N VAL A 45 -1.698 0.676 -6.675 1.00 0.00 N ATOM 692 CA VAL A 45 -2.618 0.952 -7.771 1.00 0.00 C ATOM 693 C VAL A 45 -3.125 2.389 -7.716 1.00 0.00 C ATOM 694 O VAL A 45 -3.541 2.950 -8.729 1.00 0.00 O ATOM 695 CB VAL A 45 -3.824 -0.007 -7.746 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.370 -1.427 -7.447 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.853 0.459 -6.727 1.00 0.00 C ATOM 0 H VAL A 45 -2.139 0.285 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.062 0.802 -8.696 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.293 -0.001 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.235 -2.090 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.673 -1.756 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.876 -1.454 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.698 -0.229 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.399 0.483 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.200 1.458 -6.991 1.00 0.00 H new ATOM 707 N GLU A 46 -3.085 2.979 -6.525 1.00 0.00 N ATOM 708 CA GLU A 46 -3.541 4.351 -6.338 1.00 0.00 C ATOM 709 C GLU A 46 -2.469 5.345 -6.776 1.00 0.00 C ATOM 710 O GLU A 46 -2.761 6.331 -7.453 1.00 0.00 O ATOM 711 CB GLU A 46 -3.909 4.595 -4.873 1.00 0.00 C ATOM 712 CG GLU A 46 -2.743 5.070 -4.023 1.00 0.00 C ATOM 713 CD GLU A 46 -3.170 5.487 -2.629 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.381 5.419 -2.334 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.292 5.882 -1.833 1.00 0.00 O ATOM 0 H GLU A 46 -2.742 2.529 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.426 4.500 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.707 5.336 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.305 3.673 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.003 4.273 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.257 5.911 -4.517 1.00 0.00 H new ATOM 722 N CYS A 47 -1.228 5.078 -6.384 1.00 0.00 N ATOM 723 CA CYS A 47 -0.111 5.948 -6.734 1.00 0.00 C ATOM 724 C CYS A 47 0.247 5.807 -8.210 1.00 0.00 C ATOM 725 O CYS A 47 0.898 6.677 -8.788 1.00 0.00 O ATOM 726 CB CYS A 47 1.107 5.624 -5.868 1.00 0.00 C ATOM 727 SG CYS A 47 0.957 6.168 -4.150 1.00 0.00 S ATOM 0 H CYS A 47 -0.970 4.266 -5.824 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.415 6.978 -6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.274 4.547 -5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.988 6.090 -6.310 1.00 0.00 H new ATOM 0 HG CYS A 47 1.719 7.203 -3.955 1.00 0.00 H new ATOM 733 N SER A 48 -0.182 4.703 -8.814 1.00 0.00 N ATOM 734 CA SER A 48 0.098 4.444 -10.222 1.00 0.00 C ATOM 735 C SER A 48 -0.830 5.258 -11.119 1.00 0.00 C ATOM 736 O SER A 48 -0.453 5.661 -12.219 1.00 0.00 O ATOM 737 CB SER A 48 -0.056 2.953 -10.528 1.00 0.00 C ATOM 738 OG SER A 48 0.181 2.687 -11.900 1.00 0.00 O ATOM 0 H SER A 48 -0.724 3.974 -8.351 1.00 0.00 H new ATOM 0 HA SER A 48 1.126 4.745 -10.424 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.641 2.379 -9.917 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.060 2.625 -10.259 1.00 0.00 H new ATOM 0 HG SER A 48 0.702 3.420 -12.290 1.00 0.00 H new ATOM 744 N LYS A 49 -2.046 5.496 -10.640 1.00 0.00 N ATOM 745 CA LYS A 49 -3.030 6.262 -11.396 1.00 0.00 C ATOM 746 C LYS A 49 -2.375 7.451 -12.091 1.00 0.00 C ATOM 747 O LYS A 49 -2.594 7.685 -13.281 1.00 0.00 O ATOM 748 CB LYS A 49 -4.147 6.750 -10.470 1.00 0.00 C ATOM 749 CG LYS A 49 -4.863 5.630 -9.738 1.00 0.00 C ATOM 750 CD LYS A 49 -5.463 4.624 -10.706 1.00 0.00 C ATOM 751 CE LYS A 49 -6.170 3.496 -9.972 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.309 2.949 -10.760 1.00 0.00 N ATOM 0 H LYS A 49 -2.374 5.169 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.457 5.609 -12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.726 7.440 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.874 7.312 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.163 5.124 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.651 6.049 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.169 5.129 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.676 4.211 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.458 2.698 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.535 3.860 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.765 2.182 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.001 3.704 -10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.958 2.578 -11.666 1.00 0.00 H new ATOM 766 N PHE A 50 -1.571 8.199 -11.344 1.00 0.00 N ATOM 767 CA PHE A 50 -0.884 9.364 -11.889 1.00 0.00 C ATOM 768 C PHE A 50 0.267 8.941 -12.796 1.00 0.00 C ATOM 769 O PHE A 50 0.627 9.652 -13.734 1.00 0.00 O ATOM 770 CB PHE A 50 -0.358 10.249 -10.757 1.00 0.00 C ATOM 771 CG PHE A 50 -1.266 10.296 -9.562 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.160 9.348 -8.557 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.225 11.289 -9.443 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.995 9.389 -7.456 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.063 11.335 -8.344 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.947 10.384 -7.349 1.00 0.00 C ATOM 0 H PHE A 50 -1.379 8.019 -10.359 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.600 9.933 -12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.621 9.884 -10.446 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.215 11.261 -11.135 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.417 8.568 -8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.319 12.036 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.903 8.643 -6.680 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.807 12.114 -8.264 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.599 10.418 -6.489 1.00 0.00 H new ATOM 786 N GLY A 51 0.843 7.777 -12.509 1.00 0.00 N ATOM 787 CA GLY A 51 1.948 7.279 -13.307 1.00 0.00 C ATOM 788 C GLY A 51 2.296 5.840 -12.980 1.00 0.00 C ATOM 789 O GLY A 51 1.648 4.913 -13.465 1.00 0.00 O ATOM 0 H GLY A 51 0.564 7.170 -11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.693 7.357 -14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.823 7.908 -13.143 1.00 0.00 H new ATOM 793 N GLN A 52 3.323 5.654 -12.157 1.00 0.00 N ATOM 794 CA GLN A 52 3.758 4.317 -11.769 1.00 0.00 C ATOM 795 C GLN A 52 4.248 4.302 -10.325 1.00 0.00 C ATOM 796 O GLN A 52 4.210 5.322 -9.636 1.00 0.00 O ATOM 797 CB GLN A 52 4.867 3.828 -12.701 1.00 0.00 C ATOM 798 CG GLN A 52 4.368 3.412 -14.076 1.00 0.00 C ATOM 799 CD GLN A 52 5.492 2.998 -15.004 1.00 0.00 C ATOM 800 OE1 GLN A 52 5.837 1.819 -15.094 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.070 3.968 -15.703 1.00 0.00 N ATOM 0 H GLN A 52 3.869 6.411 -11.746 1.00 0.00 H new ATOM 0 HA GLN A 52 2.903 3.646 -11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.608 4.619 -12.817 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.374 2.982 -12.236 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.667 2.584 -13.969 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.818 4.239 -14.524 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.752 4.932 -15.597 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.832 3.749 -16.345 1.00 0.00 H new ATOM 810 N ILE A 53 4.706 3.140 -9.873 1.00 0.00 N ATOM 811 CA ILE A 53 5.203 2.993 -8.511 1.00 0.00 C ATOM 812 C ILE A 53 6.650 2.511 -8.503 1.00 0.00 C ATOM 813 O ILE A 53 6.920 1.323 -8.683 1.00 0.00 O ATOM 814 CB ILE A 53 4.341 2.007 -7.700 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.869 2.140 -8.093 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.521 2.250 -6.209 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.282 3.501 -7.788 1.00 0.00 C ATOM 0 H ILE A 53 4.743 2.286 -10.430 1.00 0.00 H new ATOM 0 HA ILE A 53 5.148 3.978 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 53 4.667 0.992 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.767 1.940 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.291 1.379 -7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.906 1.546 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.568 2.110 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.218 3.269 -5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.236 3.523 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.352 3.696 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.835 4.266 -8.333 1.00 0.00 H new ATOM 829 N ARG A 54 7.576 3.440 -8.292 1.00 0.00 N ATOM 830 CA ARG A 54 8.996 3.110 -8.259 1.00 0.00 C ATOM 831 C ARG A 54 9.301 2.129 -7.131 1.00 0.00 C ATOM 832 O ARG A 54 10.185 1.281 -7.252 1.00 0.00 O ATOM 833 CB ARG A 54 9.833 4.379 -8.086 1.00 0.00 C ATOM 834 CG ARG A 54 10.079 5.128 -9.386 1.00 0.00 C ATOM 835 CD ARG A 54 11.382 4.696 -10.039 1.00 0.00 C ATOM 836 NE ARG A 54 11.313 4.767 -11.496 1.00 0.00 N ATOM 837 CZ ARG A 54 10.832 3.790 -12.258 1.00 0.00 C ATOM 838 NH1 ARG A 54 10.380 2.675 -11.703 1.00 0.00 N ATOM 839 NH2 ARG A 54 10.803 3.929 -13.577 1.00 0.00 N ATOM 0 H ARG A 54 7.369 4.427 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 54 9.255 2.638 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.330 5.043 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.793 4.114 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.251 4.951 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.107 6.200 -9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.194 5.330 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.619 3.676 -9.736 1.00 0.00 H new ATOM 0 HE ARG A 54 11.653 5.613 -11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.401 2.565 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.011 1.926 -12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.150 4.786 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.434 3.179 -14.161 1.00 0.00 H new ATOM 853 N LYS A 55 8.563 2.251 -6.033 1.00 0.00 N ATOM 854 CA LYS A 55 8.752 1.376 -4.882 1.00 0.00 C ATOM 855 C LYS A 55 7.613 1.539 -3.881 1.00 0.00 C ATOM 856 O LYS A 55 7.132 2.649 -3.648 1.00 0.00 O ATOM 857 CB LYS A 55 10.090 1.676 -4.202 1.00 0.00 C ATOM 858 CG LYS A 55 10.740 0.455 -3.573 1.00 0.00 C ATOM 859 CD LYS A 55 10.157 0.156 -2.203 1.00 0.00 C ATOM 860 CE LYS A 55 10.189 -1.333 -1.896 1.00 0.00 C ATOM 861 NZ LYS A 55 11.529 -1.772 -1.418 1.00 0.00 N ATOM 0 H LYS A 55 7.828 2.948 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 55 8.755 0.346 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.773 2.103 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.935 2.432 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.602 -0.408 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.814 0.619 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.718 0.698 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.129 0.516 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.440 -1.564 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.921 -1.894 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.433 -2.657 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.154 -1.929 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.937 -1.037 -0.806 1.00 0.00 H new ATOM 875 N LEU A 56 7.187 0.428 -3.290 1.00 0.00 N ATOM 876 CA LEU A 56 6.105 0.449 -2.312 1.00 0.00 C ATOM 877 C LEU A 56 6.500 -0.306 -1.047 1.00 0.00 C ATOM 878 O LEU A 56 7.026 -1.418 -1.113 1.00 0.00 O ATOM 879 CB LEU A 56 4.838 -0.165 -2.911 1.00 0.00 C ATOM 880 CG LEU A 56 3.513 0.319 -2.320 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.016 1.550 -3.062 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.472 -0.790 -2.365 1.00 0.00 C ATOM 0 H LEU A 56 7.574 -0.498 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 56 5.908 1.488 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.831 0.039 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.892 -1.247 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 56 3.680 0.591 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.072 1.880 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.753 2.348 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.866 1.305 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.536 -0.428 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.308 -1.093 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.825 -1.644 -1.788 1.00 0.00 H new ATOM 894 N LEU A 57 6.242 0.305 0.105 1.00 0.00 N ATOM 895 CA LEU A 57 6.569 -0.310 1.386 1.00 0.00 C ATOM 896 C LEU A 57 5.475 -0.040 2.415 1.00 0.00 C ATOM 897 O LEU A 57 5.159 1.113 2.712 1.00 0.00 O ATOM 898 CB LEU A 57 7.910 0.217 1.900 1.00 0.00 C ATOM 899 CG LEU A 57 9.143 -0.181 1.089 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.339 0.673 1.482 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.454 -1.658 1.281 1.00 0.00 C ATOM 0 H LEU A 57 5.808 1.225 0.177 1.00 0.00 H new ATOM 0 HA LEU A 57 6.643 -1.387 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.860 1.305 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.046 -0.131 2.924 1.00 0.00 H new ATOM 0 HG LEU A 57 8.931 -0.009 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.207 0.375 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.115 1.723 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.553 0.534 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.335 -1.923 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.646 -1.855 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.605 -2.255 0.949 1.00 0.00 H new ATOM 913 N LEU A 58 4.902 -1.109 2.956 1.00 0.00 N ATOM 914 CA LEU A 58 3.845 -0.988 3.954 1.00 0.00 C ATOM 915 C LEU A 58 4.375 -1.299 5.350 1.00 0.00 C ATOM 916 O LEU A 58 4.754 -2.433 5.643 1.00 0.00 O ATOM 917 CB LEU A 58 2.687 -1.928 3.615 1.00 0.00 C ATOM 918 CG LEU A 58 1.295 -1.458 4.040 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.224 -2.374 3.466 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.192 -1.399 5.557 1.00 0.00 C ATOM 0 H LEU A 58 5.151 -2.070 2.720 1.00 0.00 H new ATOM 0 HA LEU A 58 3.485 0.041 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.681 -2.090 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.881 -2.894 4.082 1.00 0.00 H new ATOM 0 HG LEU A 58 1.135 -0.454 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.760 -2.024 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.283 -2.365 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.381 -3.389 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.195 -1.063 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.373 -2.390 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.934 -0.702 5.945 1.00 0.00 H new ATOM 932 N PHE A 59 4.397 -0.285 6.208 1.00 0.00 N ATOM 933 CA PHE A 59 4.880 -0.450 7.574 1.00 0.00 C ATOM 934 C PHE A 59 3.783 -1.014 8.474 1.00 0.00 C ATOM 935 O PHE A 59 3.306 -0.339 9.386 1.00 0.00 O ATOM 936 CB PHE A 59 5.372 0.888 8.129 1.00 0.00 C ATOM 937 CG PHE A 59 6.339 1.594 7.222 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.205 0.874 6.416 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.382 2.978 7.177 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.095 1.520 5.579 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.271 3.630 6.342 1.00 0.00 C ATOM 942 CZ PHE A 59 8.129 2.900 5.544 1.00 0.00 C ATOM 0 H PHE A 59 4.086 0.660 5.982 1.00 0.00 H new ATOM 0 HA PHE A 59 5.711 -1.156 7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.514 1.536 8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.849 0.719 9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.185 -0.205 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.714 3.554 7.801 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.763 0.946 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.294 4.709 6.314 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.826 3.407 4.893 1.00 0.00 H new ATOM 952 N ASP A 60 3.389 -2.255 8.209 1.00 0.00 N ATOM 953 CA ASP A 60 2.350 -2.911 8.994 1.00 0.00 C ATOM 954 C ASP A 60 2.656 -2.819 10.485 1.00 0.00 C ATOM 955 O ASP A 60 1.775 -3.012 11.323 1.00 0.00 O ATOM 956 CB ASP A 60 2.215 -4.376 8.577 1.00 0.00 C ATOM 957 CG ASP A 60 3.498 -5.157 8.784 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.466 -4.917 8.033 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.534 -6.010 9.696 1.00 0.00 O ATOM 0 H ASP A 60 3.773 -2.827 7.457 1.00 0.00 H new ATOM 0 HA ASP A 60 1.407 -2.399 8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.413 -4.842 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.927 -4.427 7.527 1.00 0.00 H new ATOM 964 N ARG A 61 3.911 -2.525 10.810 1.00 0.00 N ATOM 965 CA ARG A 61 4.334 -2.410 12.200 1.00 0.00 C ATOM 966 C ARG A 61 3.647 -1.230 12.882 1.00 0.00 C ATOM 967 O ARG A 61 3.066 -1.373 13.958 1.00 0.00 O ATOM 968 CB ARG A 61 5.853 -2.247 12.282 1.00 0.00 C ATOM 969 CG ARG A 61 6.607 -3.566 12.293 1.00 0.00 C ATOM 970 CD ARG A 61 6.488 -4.287 10.960 1.00 0.00 C ATOM 971 NE ARG A 61 7.592 -3.962 10.061 1.00 0.00 N ATOM 972 CZ ARG A 61 8.830 -4.416 10.224 1.00 0.00 C ATOM 973 NH1 ARG A 61 9.120 -5.210 11.245 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.781 -4.075 9.363 1.00 0.00 N ATOM 0 H ARG A 61 4.653 -2.362 10.129 1.00 0.00 H new ATOM 0 HA ARG A 61 4.046 -3.325 12.718 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.192 -1.651 11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.102 -1.688 13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.658 -3.384 12.517 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.218 -4.202 13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.465 -5.363 11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.544 -4.019 10.486 1.00 0.00 H new ATOM 0 HE ARG A 61 7.402 -3.353 9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.392 -5.474 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.071 -5.557 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.561 -3.464 8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.731 -4.424 9.488 1.00 0.00 H new ATOM 988 N HIS A 62 3.719 -0.064 12.248 1.00 0.00 N ATOM 989 CA HIS A 62 3.104 1.142 12.793 1.00 0.00 C ATOM 990 C HIS A 62 1.599 0.956 12.959 1.00 0.00 C ATOM 991 O HIS A 62 0.884 0.612 12.017 1.00 0.00 O ATOM 992 CB HIS A 62 3.386 2.339 11.884 1.00 0.00 C ATOM 993 CG HIS A 62 3.512 3.635 12.623 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.431 4.429 12.941 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.602 4.274 13.109 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.850 5.501 13.589 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.164 5.431 13.705 1.00 0.00 N ATOM 0 H HIS A 62 4.197 0.072 11.357 1.00 0.00 H new ATOM 0 HA HIS A 62 3.539 1.331 13.774 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.306 2.155 11.330 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.584 2.425 11.151 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.626 3.937 13.041 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.225 6.299 13.961 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.757 6.124 14.163 1.00 0.00 H new ATOM 1005 N PRO A 63 1.105 1.189 14.184 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.320 1.054 14.502 1.00 0.00 C ATOM 1007 C PRO A 63 -1.165 2.141 13.847 1.00 0.00 C ATOM 1008 O PRO A 63 -2.347 1.938 13.568 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.358 1.191 16.026 1.00 0.00 C ATOM 1010 CG PRO A 63 0.855 1.987 16.365 1.00 0.00 C ATOM 1011 CD PRO A 63 1.899 1.602 15.353 1.00 0.00 C ATOM 0 HA PRO A 63 -0.733 0.114 14.135 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.267 1.694 16.356 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.340 0.215 16.512 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.645 3.056 16.322 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.194 1.769 17.378 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.557 2.438 15.117 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.531 0.792 15.716 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.553 3.295 13.605 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.249 4.414 12.982 1.00 0.00 C ATOM 1021 C ASP A 64 -1.268 4.266 11.464 1.00 0.00 C ATOM 1022 O ASP A 64 -1.442 5.242 10.737 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.584 5.736 13.370 1.00 0.00 C ATOM 1024 CG ASP A 64 -0.486 5.916 14.872 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -0.308 4.903 15.581 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.587 7.070 15.338 1.00 0.00 O ATOM 0 H ASP A 64 0.424 3.480 13.831 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.278 4.415 13.341 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.415 5.778 12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.151 6.563 12.944 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.085 3.036 10.992 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.082 2.782 9.564 1.00 0.00 C ATOM 1033 C GLY A 65 -0.175 3.732 8.807 1.00 0.00 C ATOM 1034 O GLY A 65 -0.593 4.822 8.416 1.00 0.00 O ATOM 0 H GLY A 65 -0.939 2.211 11.574 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.762 1.756 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.098 2.872 9.180 1.00 0.00 H new ATOM 1038 N VAL A 66 1.072 3.320 8.602 1.00 0.00 N ATOM 1039 CA VAL A 66 2.041 4.142 7.888 1.00 0.00 C ATOM 1040 C VAL A 66 2.616 3.398 6.688 1.00 0.00 C ATOM 1041 O VAL A 66 3.032 2.245 6.801 1.00 0.00 O ATOM 1042 CB VAL A 66 3.196 4.576 8.810 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.213 5.403 8.039 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.661 5.353 10.004 1.00 0.00 C ATOM 0 H VAL A 66 1.435 2.421 8.921 1.00 0.00 H new ATOM 0 HA VAL A 66 1.509 5.028 7.541 1.00 0.00 H new ATOM 0 HB VAL A 66 3.697 3.682 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.021 5.700 8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.619 4.809 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.729 6.293 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.490 5.652 10.645 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.135 6.241 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.974 4.723 10.570 1.00 0.00 H new ATOM 1054 N ALA A 67 2.636 4.065 5.539 1.00 0.00 N ATOM 1055 CA ALA A 67 3.162 3.467 4.318 1.00 0.00 C ATOM 1056 C ALA A 67 4.099 4.429 3.596 1.00 0.00 C ATOM 1057 O ALA A 67 3.929 5.646 3.666 1.00 0.00 O ATOM 1058 CB ALA A 67 2.022 3.049 3.401 1.00 0.00 C ATOM 0 H ALA A 67 2.294 5.020 5.428 1.00 0.00 H new ATOM 0 HA ALA A 67 3.735 2.581 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.430 2.604 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.393 2.320 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.426 3.923 3.140 1.00 0.00 H new ATOM 1064 N SER A 68 5.089 3.875 2.903 1.00 0.00 N ATOM 1065 CA SER A 68 6.056 4.685 2.171 1.00 0.00 C ATOM 1066 C SER A 68 6.028 4.352 0.682 1.00 0.00 C ATOM 1067 O SER A 68 6.500 3.295 0.262 1.00 0.00 O ATOM 1068 CB SER A 68 7.463 4.464 2.728 1.00 0.00 C ATOM 1069 OG SER A 68 8.448 4.961 1.839 1.00 0.00 O ATOM 0 H SER A 68 5.242 2.869 2.833 1.00 0.00 H new ATOM 0 HA SER A 68 5.784 5.733 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.557 4.960 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.627 3.400 2.899 1.00 0.00 H new ATOM 0 HG SER A 68 9.338 4.809 2.219 1.00 0.00 H new ATOM 1075 N VAL A 69 5.471 5.261 -0.111 1.00 0.00 N ATOM 1076 CA VAL A 69 5.381 5.066 -1.553 1.00 0.00 C ATOM 1077 C VAL A 69 6.419 5.907 -2.287 1.00 0.00 C ATOM 1078 O VAL A 69 6.356 7.137 -2.277 1.00 0.00 O ATOM 1079 CB VAL A 69 3.980 5.423 -2.082 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.747 4.793 -3.447 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.910 4.983 -1.094 1.00 0.00 C ATOM 0 H VAL A 69 5.075 6.140 0.221 1.00 0.00 H new ATOM 0 HA VAL A 69 5.574 4.010 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 69 3.918 6.506 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.752 5.057 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.494 5.161 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.828 3.709 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.926 5.243 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.970 3.904 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.067 5.486 -0.140 1.00 0.00 H new ATOM 1091 N SER A 70 7.374 5.237 -2.924 1.00 0.00 N ATOM 1092 CA SER A 70 8.428 5.923 -3.662 1.00 0.00 C ATOM 1093 C SER A 70 7.955 6.298 -5.063 1.00 0.00 C ATOM 1094 O SER A 70 7.127 5.607 -5.657 1.00 0.00 O ATOM 1095 CB SER A 70 9.675 5.040 -3.751 1.00 0.00 C ATOM 1096 OG SER A 70 9.973 4.452 -2.497 1.00 0.00 O ATOM 0 H SER A 70 7.439 4.219 -2.944 1.00 0.00 H new ATOM 0 HA SER A 70 8.677 6.838 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.519 4.259 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.523 5.636 -4.088 1.00 0.00 H new ATOM 0 HG SER A 70 10.879 4.079 -2.517 1.00 0.00 H new ATOM 1102 N PHE A 71 8.489 7.397 -5.586 1.00 0.00 N ATOM 1103 CA PHE A 71 8.122 7.865 -6.917 1.00 0.00 C ATOM 1104 C PHE A 71 9.364 8.186 -7.743 1.00 0.00 C ATOM 1105 O PHE A 71 10.457 8.353 -7.200 1.00 0.00 O ATOM 1106 CB PHE A 71 7.229 9.104 -6.817 1.00 0.00 C ATOM 1107 CG PHE A 71 5.801 8.787 -6.477 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.421 8.562 -5.163 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.837 8.716 -7.470 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.108 8.270 -4.848 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.522 8.424 -7.160 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.157 8.202 -5.847 1.00 0.00 C ATOM 0 H PHE A 71 9.177 7.980 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 71 7.571 7.067 -7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.635 9.774 -6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.258 9.641 -7.765 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.160 8.616 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.117 8.891 -8.498 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.825 8.095 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.781 8.370 -7.944 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.130 7.976 -5.602 1.00 0.00 H new ATOM 1122 N ARG A 72 9.189 8.269 -9.058 1.00 0.00 N ATOM 1123 CA ARG A 72 10.295 8.568 -9.959 1.00 0.00 C ATOM 1124 C ARG A 72 10.373 10.064 -10.247 1.00 0.00 C ATOM 1125 O ARG A 72 11.452 10.657 -10.216 1.00 0.00 O ATOM 1126 CB ARG A 72 10.138 7.793 -11.268 1.00 0.00 C ATOM 1127 CG ARG A 72 11.059 8.276 -12.377 1.00 0.00 C ATOM 1128 CD ARG A 72 12.521 8.156 -11.977 1.00 0.00 C ATOM 1129 NE ARG A 72 13.407 8.802 -12.942 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.632 8.330 -14.163 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.040 7.215 -14.567 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.452 8.975 -14.984 1.00 0.00 N ATOM 0 H ARG A 72 8.291 8.133 -9.523 1.00 0.00 H new ATOM 0 HA ARG A 72 11.220 8.261 -9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.332 6.737 -11.080 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.105 7.872 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.879 7.694 -13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.830 9.315 -12.616 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.666 8.605 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.787 7.103 -11.889 1.00 0.00 H new ATOM 0 HE ARG A 72 13.879 9.662 -12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.409 6.716 -13.940 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.215 6.856 -15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.910 9.833 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.624 8.612 -15.922 1.00 0.00 H new ATOM 1146 N ASP A 73 9.224 10.668 -10.528 1.00 0.00 N ATOM 1147 CA ASP A 73 9.161 12.095 -10.821 1.00 0.00 C ATOM 1148 C ASP A 73 8.575 12.866 -9.643 1.00 0.00 C ATOM 1149 O ASP A 73 7.619 12.433 -8.999 1.00 0.00 O ATOM 1150 CB ASP A 73 8.324 12.343 -12.077 1.00 0.00 C ATOM 1151 CG ASP A 73 9.138 12.215 -13.350 1.00 0.00 C ATOM 1152 OD1 ASP A 73 10.136 11.464 -13.342 1.00 0.00 O ATOM 1153 OD2 ASP A 73 8.778 12.866 -14.353 1.00 0.00 O ATOM 0 H ASP A 73 8.323 10.191 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 73 10.177 12.450 -10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.497 11.633 -12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.887 13.340 -12.028 1.00 0.00 H new ATOM 1158 N PRO A 74 9.159 14.038 -9.353 1.00 0.00 N ATOM 1159 CA PRO A 74 8.711 14.895 -8.251 1.00 0.00 C ATOM 1160 C PRO A 74 7.352 15.529 -8.526 1.00 0.00 C ATOM 1161 O PRO A 74 6.601 15.833 -7.600 1.00 0.00 O ATOM 1162 CB PRO A 74 9.798 15.970 -8.174 1.00 0.00 C ATOM 1163 CG PRO A 74 10.380 16.021 -9.544 1.00 0.00 C ATOM 1164 CD PRO A 74 10.303 14.617 -10.078 1.00 0.00 C ATOM 0 HA PRO A 74 8.580 14.335 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.381 16.935 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.555 15.715 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.824 16.711 -10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.411 16.373 -9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.143 14.605 -11.156 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.222 14.063 -9.886 1.00 0.00 H new ATOM 1172 N GLU A 75 7.043 15.726 -9.804 1.00 0.00 N ATOM 1173 CA GLU A 75 5.774 16.325 -10.199 1.00 0.00 C ATOM 1174 C GLU A 75 4.604 15.424 -9.814 1.00 0.00 C ATOM 1175 O GLU A 75 3.638 15.874 -9.199 1.00 0.00 O ATOM 1176 CB GLU A 75 5.756 16.588 -11.706 1.00 0.00 C ATOM 1177 CG GLU A 75 6.807 17.585 -12.163 1.00 0.00 C ATOM 1178 CD GLU A 75 6.399 18.328 -13.420 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.663 17.744 -14.243 1.00 0.00 O ATOM 1180 OE2 GLU A 75 6.816 19.494 -13.581 1.00 0.00 O ATOM 0 H GLU A 75 7.654 15.480 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 75 5.669 17.273 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.908 15.646 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.770 16.956 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.992 18.304 -11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.745 17.061 -12.344 1.00 0.00 H new ATOM 1187 N GLU A 76 4.700 14.150 -10.182 1.00 0.00 N ATOM 1188 CA GLU A 76 3.649 13.186 -9.876 1.00 0.00 C ATOM 1189 C GLU A 76 3.354 13.159 -8.379 1.00 0.00 C ATOM 1190 O GLU A 76 2.263 13.525 -7.944 1.00 0.00 O ATOM 1191 CB GLU A 76 4.053 11.790 -10.354 1.00 0.00 C ATOM 1192 CG GLU A 76 3.661 11.501 -11.793 1.00 0.00 C ATOM 1193 CD GLU A 76 4.730 11.918 -12.784 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.834 13.129 -13.070 1.00 0.00 O ATOM 1195 OE2 GLU A 76 5.462 11.033 -13.273 1.00 0.00 O ATOM 0 H GLU A 76 5.494 13.762 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 76 2.744 13.494 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.132 11.678 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.592 11.046 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.463 10.435 -11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.733 12.023 -12.025 1.00 0.00 H new ATOM 1202 N ALA A 77 4.336 12.721 -7.597 1.00 0.00 N ATOM 1203 CA ALA A 77 4.183 12.647 -6.149 1.00 0.00 C ATOM 1204 C ALA A 77 3.588 13.936 -5.593 1.00 0.00 C ATOM 1205 O ALA A 77 2.518 13.925 -4.985 1.00 0.00 O ATOM 1206 CB ALA A 77 5.523 12.355 -5.491 1.00 0.00 C ATOM 0 H ALA A 77 5.245 12.412 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 77 3.494 11.833 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.394 12.303 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.908 11.403 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.228 13.150 -5.734 1.00 0.00 H new ATOM 1212 N ASP A 78 4.289 15.045 -5.805 1.00 0.00 N ATOM 1213 CA ASP A 78 3.829 16.343 -5.325 1.00 0.00 C ATOM 1214 C ASP A 78 2.345 16.537 -5.620 1.00 0.00 C ATOM 1215 O ASP A 78 1.654 17.275 -4.917 1.00 0.00 O ATOM 1216 CB ASP A 78 4.642 17.466 -5.970 1.00 0.00 C ATOM 1217 CG ASP A 78 5.937 17.742 -5.232 1.00 0.00 C ATOM 1218 OD1 ASP A 78 6.530 16.782 -4.697 1.00 0.00 O ATOM 1219 OD2 ASP A 78 6.358 18.917 -5.189 1.00 0.00 O ATOM 0 H ASP A 78 5.177 15.071 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 78 3.973 16.376 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.866 17.201 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.042 18.376 -5.997 1.00 0.00 H new ATOM 1224 N TYR A 79 1.863 15.872 -6.663 1.00 0.00 N ATOM 1225 CA TYR A 79 0.462 15.974 -7.053 1.00 0.00 C ATOM 1226 C TYR A 79 -0.351 14.821 -6.474 1.00 0.00 C ATOM 1227 O TYR A 79 -1.571 14.916 -6.332 1.00 0.00 O ATOM 1228 CB TYR A 79 0.335 15.987 -8.578 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.095 15.949 -9.067 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.123 16.502 -8.312 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.420 15.360 -10.282 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.431 16.470 -8.754 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.725 15.324 -10.733 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.727 15.880 -9.965 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.029 15.845 -10.410 1.00 0.00 O ATOM 0 H TYR A 79 2.422 15.256 -7.254 1.00 0.00 H new ATOM 0 HA TYR A 79 0.068 16.908 -6.654 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.819 16.883 -8.967 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.873 15.131 -8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.895 16.965 -7.363 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.638 14.922 -10.885 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.218 16.904 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.960 14.863 -11.681 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.065 15.395 -11.280 1.00 0.00 H new ATOM 1245 N CYS A 80 0.334 13.732 -6.140 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.323 12.559 -5.575 1.00 0.00 C ATOM 1247 C CYS A 80 -0.588 12.748 -4.085 1.00 0.00 C ATOM 1248 O CYS A 80 -1.553 12.209 -3.543 1.00 0.00 O ATOM 1249 CB CYS A 80 0.534 11.312 -5.799 1.00 0.00 C ATOM 1250 SG CYS A 80 1.013 11.045 -7.522 1.00 0.00 S ATOM 0 H CYS A 80 1.344 13.638 -6.251 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.280 12.430 -6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.435 11.389 -5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.015 10.439 -5.446 1.00 0.00 H new ATOM 0 HG CYS A 80 0.056 10.427 -8.148 1.00 0.00 H new ATOM 1256 N ILE A 81 0.276 13.515 -3.429 1.00 0.00 N ATOM 1257 CA ILE A 81 0.136 13.775 -2.002 1.00 0.00 C ATOM 1258 C ILE A 81 -1.023 14.728 -1.728 1.00 0.00 C ATOM 1259 O ILE A 81 -1.568 14.755 -0.625 1.00 0.00 O ATOM 1260 CB ILE A 81 1.426 14.370 -1.408 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.592 15.826 -1.848 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.632 13.543 -1.828 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.836 16.808 -0.981 1.00 0.00 C ATOM 0 H ILE A 81 1.081 13.967 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.064 12.816 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 81 1.353 14.345 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.651 16.083 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.252 15.927 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.537 13.976 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.515 12.520 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.710 13.540 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.999 17.820 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.229 16.577 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.192 16.735 0.047 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.394 15.506 -2.739 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.489 16.459 -2.607 1.00 0.00 C ATOM 1277 C GLN A 82 -3.816 15.825 -3.013 1.00 0.00 C ATOM 1278 O GLN A 82 -4.883 16.263 -2.584 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.221 17.699 -3.463 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.689 17.377 -4.850 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.546 18.609 -5.721 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.482 19.003 -6.417 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.371 19.226 -5.687 1.00 0.00 N ATOM 0 H GLN A 82 -0.953 15.495 -3.658 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.554 16.755 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.145 18.270 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.504 18.338 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.720 16.887 -4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.359 16.669 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.378 18.865 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.217 20.061 -6.252 1.00 0.00 H new ATOM 1292 N THR A 83 -3.741 14.789 -3.843 1.00 0.00 N ATOM 1293 CA THR A 83 -4.935 14.095 -4.308 1.00 0.00 C ATOM 1294 C THR A 83 -5.188 12.831 -3.495 1.00 0.00 C ATOM 1295 O THR A 83 -6.312 12.329 -3.442 1.00 0.00 O ATOM 1296 CB THR A 83 -4.823 13.720 -5.798 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.984 14.887 -6.611 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.871 12.684 -6.175 1.00 0.00 C ATOM 0 H THR A 83 -2.866 14.412 -4.207 1.00 0.00 H new ATOM 0 HA THR A 83 -5.771 14.782 -4.176 1.00 0.00 H new ATOM 0 HB THR A 83 -3.835 13.293 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.182 15.017 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.773 12.435 -7.232 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.727 11.785 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.866 13.088 -5.989 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.138 12.320 -2.862 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.246 11.113 -2.050 1.00 0.00 C ATOM 1308 C LEU A 84 -4.475 11.463 -0.583 1.00 0.00 C ATOM 1309 O LEU A 84 -4.726 10.585 0.243 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.982 10.264 -2.192 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.698 9.710 -3.589 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.312 9.089 -3.646 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.758 8.692 -3.984 1.00 0.00 C ATOM 0 H LEU A 84 -3.202 12.723 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.102 10.540 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.128 10.865 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.051 9.426 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.732 10.535 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.128 8.700 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.564 9.845 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.248 8.275 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.540 8.308 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.756 7.869 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.738 9.169 -3.985 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.389 12.750 -0.267 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.590 13.217 1.100 1.00 0.00 C ATOM 1327 C ASP A 85 -6.037 13.009 1.538 1.00 0.00 C ATOM 1328 O ASP A 85 -6.375 13.193 2.706 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.216 14.695 1.217 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.393 15.613 0.951 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.123 15.372 -0.034 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.585 16.572 1.728 1.00 0.00 O ATOM 0 H ASP A 85 -4.181 13.489 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.943 12.634 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.825 14.890 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.416 14.921 0.512 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.887 12.625 0.591 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.287 12.400 0.898 1.00 0.00 C ATOM 1339 C GLY A 86 -8.724 10.979 0.604 1.00 0.00 C ATOM 1340 O GLY A 86 -9.869 10.607 0.866 1.00 0.00 O ATOM 0 H GLY A 86 -6.631 12.466 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.465 12.621 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.898 13.092 0.319 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.812 10.182 0.058 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.110 8.794 -0.275 1.00 0.00 C ATOM 1346 C ARG A 87 -8.731 8.071 0.917 1.00 0.00 C ATOM 1347 O ARG A 87 -8.616 8.521 2.057 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.838 8.069 -0.718 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.413 8.400 -2.140 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.030 7.439 -3.144 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.437 7.739 -3.395 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.251 6.934 -4.070 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.800 5.787 -4.557 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.519 7.277 -4.257 1.00 0.00 N ATOM 0 H ARG A 87 -6.860 10.474 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.827 8.789 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.027 8.326 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.995 6.994 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.710 9.420 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.326 8.358 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.476 7.489 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.938 6.418 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.816 8.614 -3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.826 5.520 -4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.427 5.171 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.869 8.159 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.143 6.659 -4.775 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.390 6.951 0.645 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.030 6.166 1.694 1.00 0.00 C ATOM 1370 C TRP A 88 -9.544 4.721 1.666 1.00 0.00 C ATOM 1371 O TRP A 88 -9.616 4.051 0.636 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.550 6.209 1.536 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.142 7.550 1.849 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.076 8.675 1.077 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.888 7.907 3.018 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.736 9.709 1.696 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.243 9.263 2.887 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.292 7.212 4.161 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.982 9.936 3.858 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.024 7.881 5.123 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.364 9.231 4.967 1.00 0.00 C ATOM 0 H TRP A 88 -9.495 6.566 -0.294 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.759 6.602 2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.810 5.935 0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -11.997 5.461 2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.578 8.742 0.121 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.833 10.655 1.328 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.037 6.171 4.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.244 10.977 3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.340 7.354 6.011 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.939 9.725 5.737 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.049 4.245 2.805 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.551 2.879 2.910 1.00 0.00 C ATOM 1394 C PHE A 89 -9.236 2.136 4.053 1.00 0.00 C ATOM 1395 O PHE A 89 -9.470 2.699 5.122 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.036 2.881 3.124 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.251 3.005 1.849 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.489 4.050 0.972 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.274 2.076 1.529 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.769 4.165 -0.202 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.549 2.186 0.357 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.797 3.233 -0.509 1.00 0.00 C ATOM 0 H PHE A 89 -8.982 4.786 3.667 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.779 2.364 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.772 3.706 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.747 1.960 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.246 4.783 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.076 1.256 2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.966 4.983 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.790 1.455 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.232 3.323 -1.425 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.557 0.867 3.819 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.213 0.068 4.837 1.00 0.00 C ATOM 1414 C GLY A 90 -11.570 0.621 5.223 1.00 0.00 C ATOM 1415 O GLY A 90 -12.210 0.125 6.149 1.00 0.00 O ATOM 0 H GLY A 90 -9.374 0.378 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.330 -0.953 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.578 0.020 5.722 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.011 1.654 4.511 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.298 2.259 4.800 1.00 0.00 C ATOM 1421 C GLY A 91 -13.166 3.660 5.366 1.00 0.00 C ATOM 1422 O GLY A 91 -14.122 4.435 5.350 1.00 0.00 O ATOM 0 H GLY A 91 -11.500 2.082 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.893 2.294 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.839 1.633 5.510 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.979 3.984 5.868 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.727 5.299 6.444 1.00 0.00 C ATOM 1428 C ARG A 92 -10.874 6.149 5.506 1.00 0.00 C ATOM 1429 O ARG A 92 -10.314 5.644 4.533 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.031 5.162 7.799 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.700 4.162 8.728 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.815 3.831 9.920 1.00 0.00 C ATOM 1433 NE ARG A 92 -11.598 3.493 11.106 1.00 0.00 N ATOM 1434 CZ ARG A 92 -11.138 2.742 12.100 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -9.906 2.253 12.052 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -11.911 2.478 13.146 1.00 0.00 N ATOM 0 H ARG A 92 -11.177 3.354 5.887 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.687 5.795 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.996 4.860 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.006 6.137 8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.649 4.568 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.928 3.249 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.163 2.996 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.171 4.682 10.141 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.550 3.853 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.309 2.453 11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.556 1.677 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.859 2.852 13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.557 1.901 13.909 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.782 7.441 5.805 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.998 8.359 4.988 1.00 0.00 C ATOM 1452 C GLN A 93 -8.524 8.311 5.375 1.00 0.00 C ATOM 1453 O GLN A 93 -8.173 7.851 6.462 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.530 9.786 5.135 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.357 10.632 3.884 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.480 12.117 4.162 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.615 12.536 5.312 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.434 12.923 3.108 1.00 0.00 N ATOM 0 H GLN A 93 -11.240 7.875 6.606 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.091 8.049 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.588 9.745 5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.018 10.272 5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.381 10.428 3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.105 10.341 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.321 12.533 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.512 13.932 3.234 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.666 8.786 4.479 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.230 8.798 4.727 1.00 0.00 C ATOM 1469 C ILE A 94 -5.596 10.093 4.232 1.00 0.00 C ATOM 1470 O ILE A 94 -6.122 10.751 3.333 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.532 7.605 4.048 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.354 7.874 2.552 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.328 6.328 4.271 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.697 6.734 1.807 1.00 0.00 C ATOM 0 H ILE A 94 -7.941 9.168 3.574 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.096 8.721 5.806 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.546 7.478 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.330 8.073 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.755 8.775 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.822 5.494 3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.408 6.131 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.326 6.443 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.603 6.994 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.707 6.549 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.306 5.836 1.906 1.00 0.00 H new ATOM 1486 N THR A 95 -4.461 10.454 4.823 1.00 0.00 N ATOM 1487 CA THR A 95 -3.754 11.670 4.441 1.00 0.00 C ATOM 1488 C THR A 95 -2.448 11.345 3.727 1.00 0.00 C ATOM 1489 O THR A 95 -1.884 10.266 3.903 1.00 0.00 O ATOM 1490 CB THR A 95 -3.450 12.551 5.668 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.810 13.763 5.254 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.560 11.814 6.657 1.00 0.00 C ATOM 0 H THR A 95 -4.012 9.921 5.568 1.00 0.00 H new ATOM 0 HA THR A 95 -4.409 12.217 3.763 1.00 0.00 H new ATOM 0 HB THR A 95 -4.393 12.788 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.622 14.318 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.359 12.456 7.515 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.062 10.907 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.619 11.550 6.173 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.970 12.287 2.920 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.728 12.102 2.180 1.00 0.00 C ATOM 1502 C ALA A 96 0.186 13.313 2.330 1.00 0.00 C ATOM 1503 O ALA A 96 -0.280 14.428 2.561 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.022 11.839 0.711 1.00 0.00 C ATOM 0 H ALA A 96 -2.425 13.186 2.762 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.212 11.237 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.085 11.703 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.629 10.939 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.563 12.687 0.291 1.00 0.00 H new ATOM 1510 N GLN A 97 1.489 13.085 2.198 1.00 0.00 N ATOM 1511 CA GLN A 97 2.468 14.159 2.321 1.00 0.00 C ATOM 1512 C GLN A 97 3.839 13.704 1.833 1.00 0.00 C ATOM 1513 O GLN A 97 4.116 12.507 1.756 1.00 0.00 O ATOM 1514 CB GLN A 97 2.561 14.630 3.773 1.00 0.00 C ATOM 1515 CG GLN A 97 2.677 13.492 4.775 1.00 0.00 C ATOM 1516 CD GLN A 97 1.329 13.031 5.294 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.701 12.110 4.572 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.857 13.498 6.331 1.00 0.00 N flip ATOM 0 H GLN A 97 1.891 12.167 2.006 1.00 0.00 H new ATOM 0 HA GLN A 97 2.138 14.990 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.425 15.286 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.679 15.224 4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.188 12.651 4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.294 13.813 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.375 14.204 6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.052 13.179 6.667 1.00 0.00 H new ATOM 1527 N ALA A 98 4.695 14.666 1.504 1.00 0.00 N ATOM 1528 CA ALA A 98 6.038 14.364 1.026 1.00 0.00 C ATOM 1529 C ALA A 98 6.999 14.144 2.189 1.00 0.00 C ATOM 1530 O ALA A 98 6.975 14.882 3.174 1.00 0.00 O ATOM 1531 CB ALA A 98 6.542 15.483 0.127 1.00 0.00 C ATOM 0 H ALA A 98 4.482 15.662 1.560 1.00 0.00 H new ATOM 0 HA ALA A 98 5.992 13.441 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.546 15.244 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.876 15.590 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.566 16.417 0.688 1.00 0.00 H new ATOM 1537 N TRP A 99 7.842 13.125 2.068 1.00 0.00 N ATOM 1538 CA TRP A 99 8.811 12.808 3.112 1.00 0.00 C ATOM 1539 C TRP A 99 10.148 13.487 2.837 1.00 0.00 C ATOM 1540 O TRP A 99 10.500 13.742 1.686 1.00 0.00 O ATOM 1541 CB TRP A 99 9.005 11.294 3.212 1.00 0.00 C ATOM 1542 CG TRP A 99 9.883 10.882 4.356 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.752 11.253 5.664 1.00 0.00 C ATOM 1544 CD2 TRP A 99 11.027 10.024 4.292 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.746 10.676 6.417 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.540 9.917 5.599 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.666 9.334 3.259 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.663 9.149 5.897 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.780 8.572 3.556 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.269 8.484 4.866 1.00 0.00 C ATOM 0 H TRP A 99 7.875 12.505 1.259 1.00 0.00 H new ATOM 0 HA TRP A 99 8.423 13.181 4.060 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.031 10.816 3.320 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.438 10.928 2.281 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.981 11.904 6.049 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.872 10.794 7.422 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.296 9.395 2.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 13.042 9.081 6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.282 8.035 2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 99 14.141 7.879 5.066 1.00 0.00 H new ATOM 1561 N ASP A 100 10.888 13.778 3.902 1.00 0.00 N ATOM 1562 CA ASP A 100 12.188 14.427 3.775 1.00 0.00 C ATOM 1563 C ASP A 100 13.317 13.440 4.053 1.00 0.00 C ATOM 1564 O ASP A 100 14.107 13.119 3.167 1.00 0.00 O ATOM 1565 CB ASP A 100 12.284 15.615 4.733 1.00 0.00 C ATOM 1566 CG ASP A 100 11.432 16.787 4.289 1.00 0.00 C ATOM 1567 OD1 ASP A 100 10.208 16.601 4.118 1.00 0.00 O ATOM 1568 OD2 ASP A 100 11.987 17.892 4.113 1.00 0.00 O ATOM 0 H ASP A 100 10.610 13.575 4.862 1.00 0.00 H new ATOM 0 HA ASP A 100 12.289 14.787 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.973 15.301 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.324 15.934 4.809 1.00 0.00 H new ATOM 1573 N GLY A 101 13.388 12.964 5.293 1.00 0.00 N ATOM 1574 CA GLY A 101 14.425 12.020 5.666 1.00 0.00 C ATOM 1575 C GLY A 101 14.828 12.147 7.122 1.00 0.00 C ATOM 1576 O GLY A 101 16.014 12.235 7.441 1.00 0.00 O ATOM 0 H GLY A 101 12.746 13.215 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.074 11.006 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.300 12.178 5.035 1.00 0.00 H new ATOM 1580 N THR A 102 13.839 12.159 8.010 1.00 0.00 N ATOM 1581 CA THR A 102 14.095 12.279 9.439 1.00 0.00 C ATOM 1582 C THR A 102 13.394 11.173 10.219 1.00 0.00 C ATOM 1583 O THR A 102 13.858 10.758 11.282 1.00 0.00 O ATOM 1584 CB THR A 102 13.633 13.646 9.980 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.564 13.609 11.409 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.272 14.020 9.411 1.00 0.00 C ATOM 0 H THR A 102 12.852 12.087 7.764 1.00 0.00 H new ATOM 0 HA THR A 102 15.173 12.188 9.575 1.00 0.00 H new ATOM 0 HB THR A 102 14.358 14.399 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.271 14.482 11.745 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.966 14.988 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.335 14.075 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.539 13.264 9.694 1.00 0.00 H new ATOM 1594 N THR A 103 12.273 10.698 9.685 1.00 0.00 N ATOM 1595 CA THR A 103 11.507 9.640 10.332 1.00 0.00 C ATOM 1596 C THR A 103 12.271 8.321 10.316 1.00 0.00 C ATOM 1597 O THR A 103 13.035 8.046 9.391 1.00 0.00 O ATOM 1598 CB THR A 103 10.141 9.438 9.649 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.208 8.875 10.577 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.272 8.526 8.438 1.00 0.00 C ATOM 0 H THR A 103 11.875 11.029 8.806 1.00 0.00 H new ATOM 0 HA THR A 103 11.346 9.951 11.364 1.00 0.00 H new ATOM 0 HB THR A 103 9.779 10.410 9.315 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.527 8.367 10.089 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.295 8.398 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.961 8.971 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.654 7.555 8.753 1.00 0.00 H new ATOM 1608 N ASP A 104 12.059 7.508 11.346 1.00 0.00 N ATOM 1609 CA ASP A 104 12.727 6.216 11.449 1.00 0.00 C ATOM 1610 C ASP A 104 11.736 5.074 11.242 1.00 0.00 C ATOM 1611 O ASP A 104 11.844 4.023 11.874 1.00 0.00 O ATOM 1612 CB ASP A 104 13.406 6.077 12.813 1.00 0.00 C ATOM 1613 CG ASP A 104 14.619 6.976 12.950 1.00 0.00 C ATOM 1614 OD1 ASP A 104 14.445 8.153 13.332 1.00 0.00 O ATOM 1615 OD2 ASP A 104 15.741 6.503 12.676 1.00 0.00 O ATOM 0 H ASP A 104 11.430 7.721 12.120 1.00 0.00 H new ATOM 0 HA ASP A 104 13.484 6.162 10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.689 6.317 13.599 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.707 5.040 12.962 1.00 0.00 H new ATOM 1620 N TYR A 105 10.772 5.289 10.354 1.00 0.00 N ATOM 1621 CA TYR A 105 9.760 4.280 10.066 1.00 0.00 C ATOM 1622 C TYR A 105 10.398 3.012 9.506 1.00 0.00 C ATOM 1623 O TYR A 105 10.319 1.945 10.113 1.00 0.00 O ATOM 1624 CB TYR A 105 8.732 4.827 9.074 1.00 0.00 C ATOM 1625 CG TYR A 105 7.949 6.008 9.603 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.507 6.040 10.920 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.652 7.092 8.786 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.791 7.116 11.407 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.939 8.173 9.265 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.510 8.181 10.576 1.00 0.00 C ATOM 1631 OH TYR A 105 5.798 9.255 11.057 1.00 0.00 O ATOM 0 H TYR A 105 10.670 6.153 9.821 1.00 0.00 H new ATOM 0 HA TYR A 105 9.257 4.030 11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.244 5.122 8.158 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.037 4.031 8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.727 5.209 11.574 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.985 7.089 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.453 7.124 12.433 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.718 9.008 8.617 1.00 0.00 H new ATOM 0 HH TYR A 105 5.687 9.919 10.345 1.00 0.00 H new ATOM 1641 N GLN A 106 11.032 3.140 8.345 1.00 0.00 N ATOM 1642 CA GLN A 106 11.685 2.005 7.702 1.00 0.00 C ATOM 1643 C GLN A 106 13.181 2.001 7.995 1.00 0.00 C ATOM 1644 O GLN A 106 13.801 0.942 8.096 1.00 0.00 O ATOM 1645 CB GLN A 106 11.449 2.043 6.191 1.00 0.00 C ATOM 1646 CG GLN A 106 12.076 3.247 5.507 1.00 0.00 C ATOM 1647 CD GLN A 106 12.574 2.931 4.111 1.00 0.00 C ATOM 1648 OE1 GLN A 106 13.308 1.832 3.979 1.00 0.00 O flip ATOM 1649 NE2 GLN A 106 12.303 3.667 3.161 1.00 0.00 N flip ATOM 0 H GLN A 106 11.108 4.017 7.830 1.00 0.00 H new ATOM 0 HA GLN A 106 11.251 1.091 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.851 1.133 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.376 2.045 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.343 4.052 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.907 3.612 6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.736 4.502 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.646 3.442 2.227 1.00 0.00 H new ATOM 1658 N SER A 107 13.756 3.192 8.130 1.00 0.00 N ATOM 1659 CA SER A 107 15.182 3.325 8.407 1.00 0.00 C ATOM 1660 C SER A 107 15.468 3.124 9.892 1.00 0.00 C ATOM 1661 O SER A 107 14.599 3.337 10.738 1.00 0.00 O ATOM 1662 CB SER A 107 15.683 4.700 7.961 1.00 0.00 C ATOM 1663 OG SER A 107 17.022 4.913 8.375 1.00 0.00 O ATOM 0 H SER A 107 13.257 4.078 8.052 1.00 0.00 H new ATOM 0 HA SER A 107 15.710 2.554 7.846 1.00 0.00 H new ATOM 0 HB2 SER A 107 15.617 4.780 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.042 5.477 8.378 1.00 0.00 H new ATOM 0 HG SER A 107 17.320 5.798 8.077 1.00 0.00 H new ATOM 1669 N GLY A 108 16.693 2.712 10.203 1.00 0.00 N ATOM 1670 CA GLY A 108 17.073 2.488 11.585 1.00 0.00 C ATOM 1671 C GLY A 108 18.242 3.353 12.012 1.00 0.00 C ATOM 1672 O GLY A 108 19.126 3.676 11.218 1.00 0.00 O ATOM 0 H GLY A 108 17.430 2.529 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.219 2.692 12.231 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.333 1.438 11.722 1.00 0.00 H new ATOM 1676 N PRO A 109 18.257 3.743 13.295 1.00 0.00 N ATOM 1677 CA PRO A 109 19.321 4.582 13.855 1.00 0.00 C ATOM 1678 C PRO A 109 20.648 3.839 13.964 1.00 0.00 C ATOM 1679 O PRO A 109 20.693 2.690 14.403 1.00 0.00 O ATOM 1680 CB PRO A 109 18.794 4.941 15.247 1.00 0.00 C ATOM 1681 CG PRO A 109 17.859 3.836 15.595 1.00 0.00 C ATOM 1682 CD PRO A 109 17.237 3.395 14.298 1.00 0.00 C ATOM 0 HA PRO A 109 19.530 5.448 13.227 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.606 5.015 15.971 1.00 0.00 H new ATOM 0 HB3 PRO A 109 18.284 5.904 15.241 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.389 3.012 16.073 1.00 0.00 H new ATOM 0 HG3 PRO A 109 17.098 4.176 16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.022 2.326 14.298 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.295 3.910 14.109 1.00 0.00 H new ATOM 1690 N SER A 110 21.728 4.503 13.562 1.00 0.00 N ATOM 1691 CA SER A 110 23.056 3.904 13.611 1.00 0.00 C ATOM 1692 C SER A 110 24.011 4.766 14.431 1.00 0.00 C ATOM 1693 O SER A 110 24.043 5.987 14.284 1.00 0.00 O ATOM 1694 CB SER A 110 23.607 3.717 12.196 1.00 0.00 C ATOM 1695 OG SER A 110 23.974 4.960 11.623 1.00 0.00 O ATOM 0 H SER A 110 21.708 5.456 13.199 1.00 0.00 H new ATOM 0 HA SER A 110 22.970 2.929 14.092 1.00 0.00 H new ATOM 0 HB2 SER A 110 24.473 3.056 12.224 1.00 0.00 H new ATOM 0 HB3 SER A 110 22.857 3.232 11.571 1.00 0.00 H new ATOM 0 HG SER A 110 24.325 4.813 10.720 1.00 0.00 H new ATOM 1701 N SER A 111 24.787 4.120 15.296 1.00 0.00 N ATOM 1702 CA SER A 111 25.741 4.827 16.143 1.00 0.00 C ATOM 1703 C SER A 111 27.135 4.220 16.015 1.00 0.00 C ATOM 1704 O SER A 111 27.287 3.004 15.909 1.00 0.00 O ATOM 1705 CB SER A 111 25.286 4.785 17.603 1.00 0.00 C ATOM 1706 OG SER A 111 26.254 5.372 18.455 1.00 0.00 O ATOM 0 H SER A 111 24.774 3.109 15.429 1.00 0.00 H new ATOM 0 HA SER A 111 25.784 5.865 15.813 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.338 5.312 17.707 1.00 0.00 H new ATOM 0 HB3 SER A 111 25.111 3.752 17.903 1.00 0.00 H new ATOM 0 HG SER A 111 25.939 5.335 19.382 1.00 0.00 H new ATOM 1712 N GLY A 112 28.150 5.078 16.026 1.00 0.00 N ATOM 1713 CA GLY A 112 29.519 4.610 15.911 1.00 0.00 C ATOM 1714 C GLY A 112 30.343 5.455 14.960 1.00 0.00 C ATOM 1715 O GLY A 112 30.312 5.247 13.747 1.00 0.00 O ATOM 0 H GLY A 112 28.049 6.089 16.113 1.00 0.00 H new ATOM 0 HA2 GLY A 112 29.986 4.617 16.896 1.00 0.00 H new ATOM 0 HA3 GLY A 112 29.518 3.576 15.566 1.00 0.00 H new TER 1719 GLY A 112