USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 CYS SG : rot 172:sc= 0.233 USER MOD Set 1.2: A 54 ASN : amide:sc= -0.934 K(o=3.1,f=-10!) USER MOD Set 1.3: A 57 CYS SG : rot 96:sc= 1.3 USER MOD Set 1.4: A 79 CYS SG : rot -64:sc= 0.465 USER MOD Set 1.5: A 82 CYS SG : rot 64:sc= 2.06 USER MOD Set 2.1: A 39 CYS SG : rot 164:sc= 0.823 USER MOD Set 2.2: A 41 CYS SG : rot -71:sc= -2.59 USER MOD Set 2.3: A 46 TYR OH : rot -172:sc= -3.23 USER MOD Set 2.4: A 63 HIS : no HE2:sc= -5.64 K(o=-11,f=-16!) USER MOD Set 2.5: A 66 CYS SG : rot -161:sc= 0.0035 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0837 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 41:sc= 1.34 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0529 K(o=-0.053,f=-1) USER MOD Single : A 45 SER OG : rot 13:sc= 0.0917! USER MOD Single : A 49 MET CE :methyl 165:sc= -3.34! (180deg=-4.27!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= 0.0356 (180deg=0.0101) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc=-0.00168 (180deg=-0.133) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 67.363 60.957 66.449 1.00 0.00 N ATOM 2 CA GLY A 1 66.895 61.332 65.128 1.00 0.00 C ATOM 3 C GLY A 1 66.561 60.129 64.269 1.00 0.00 C ATOM 4 O GLY A 1 66.478 59.006 64.766 1.00 0.00 O ATOM 0 H1 GLY A 1 66.871 61.527 67.166 1.00 0.00 H new ATOM 0 H2 GLY A 1 67.167 59.949 66.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 68.387 61.126 66.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 66.011 61.963 65.224 1.00 0.00 H new ATOM 0 HA3 GLY A 1 67.660 61.929 64.631 1.00 0.00 H new ATOM 8 N SER A 2 66.367 60.363 62.975 1.00 0.00 N ATOM 9 CA SER A 2 66.034 59.290 62.045 1.00 0.00 C ATOM 10 C SER A 2 65.989 59.808 60.611 1.00 0.00 C ATOM 11 O SER A 2 66.150 61.004 60.366 1.00 0.00 O ATOM 12 CB SER A 2 64.688 58.665 62.416 1.00 0.00 C ATOM 13 OG SER A 2 63.633 59.599 62.265 1.00 0.00 O ATOM 0 H SER A 2 66.435 61.286 62.547 1.00 0.00 H new ATOM 0 HA SER A 2 66.811 58.529 62.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.501 57.796 61.786 1.00 0.00 H new ATOM 0 HB3 SER A 2 64.720 58.311 63.446 1.00 0.00 H new ATOM 0 HG SER A 2 62.783 59.175 62.507 1.00 0.00 H new ATOM 19 N SER A 3 65.769 58.899 59.666 1.00 0.00 N ATOM 20 CA SER A 3 65.707 59.263 58.255 1.00 0.00 C ATOM 21 C SER A 3 65.139 58.116 57.424 1.00 0.00 C ATOM 22 O SER A 3 64.845 57.042 57.946 1.00 0.00 O ATOM 23 CB SER A 3 67.098 59.640 57.742 1.00 0.00 C ATOM 24 OG SER A 3 67.898 58.488 57.544 1.00 0.00 O ATOM 0 H SER A 3 65.631 57.906 59.852 1.00 0.00 H new ATOM 0 HA SER A 3 65.046 60.124 58.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 67.007 60.189 56.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 67.584 60.306 58.455 1.00 0.00 H new ATOM 0 HG SER A 3 68.781 58.756 57.214 1.00 0.00 H new ATOM 30 N GLY A 4 64.988 58.354 56.124 1.00 0.00 N ATOM 31 CA GLY A 4 64.456 57.334 55.240 1.00 0.00 C ATOM 32 C GLY A 4 64.420 57.782 53.793 1.00 0.00 C ATOM 33 O GLY A 4 64.843 58.892 53.469 1.00 0.00 O ATOM 0 H GLY A 4 65.225 59.235 55.668 1.00 0.00 H new ATOM 0 HA2 GLY A 4 65.064 56.433 55.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 63.448 57.070 55.560 1.00 0.00 H new ATOM 37 N SER A 5 63.915 56.917 52.919 1.00 0.00 N ATOM 38 CA SER A 5 63.831 57.227 51.497 1.00 0.00 C ATOM 39 C SER A 5 63.088 56.128 50.744 1.00 0.00 C ATOM 40 O SER A 5 62.835 55.052 51.285 1.00 0.00 O ATOM 41 CB SER A 5 65.232 57.407 50.909 1.00 0.00 C ATOM 42 OG SER A 5 65.188 58.153 49.705 1.00 0.00 O ATOM 0 H SER A 5 63.558 55.996 53.171 1.00 0.00 H new ATOM 0 HA SER A 5 63.276 58.158 51.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 65.871 57.915 51.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 65.678 56.431 50.720 1.00 0.00 H new ATOM 0 HG SER A 5 66.096 58.256 49.350 1.00 0.00 H new ATOM 48 N SER A 6 62.740 56.408 49.492 1.00 0.00 N ATOM 49 CA SER A 6 62.022 55.446 48.664 1.00 0.00 C ATOM 50 C SER A 6 61.886 55.955 47.233 1.00 0.00 C ATOM 51 O SER A 6 62.293 57.073 46.918 1.00 0.00 O ATOM 52 CB SER A 6 60.638 55.168 49.253 1.00 0.00 C ATOM 53 OG SER A 6 59.814 56.319 49.182 1.00 0.00 O ATOM 0 H SER A 6 62.944 57.294 49.029 1.00 0.00 H new ATOM 0 HA SER A 6 62.595 54.519 48.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 60.168 54.346 48.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 60.738 54.852 50.291 1.00 0.00 H new ATOM 0 HG SER A 6 58.934 56.116 49.563 1.00 0.00 H new ATOM 59 N GLY A 7 61.310 55.126 46.368 1.00 0.00 N ATOM 60 CA GLY A 7 61.130 55.509 44.980 1.00 0.00 C ATOM 61 C GLY A 7 60.772 54.331 44.095 1.00 0.00 C ATOM 62 O GLY A 7 61.032 53.181 44.447 1.00 0.00 O ATOM 0 H GLY A 7 60.965 54.196 46.604 1.00 0.00 H new ATOM 0 HA2 GLY A 7 60.345 56.262 44.913 1.00 0.00 H new ATOM 0 HA3 GLY A 7 62.046 55.971 44.612 1.00 0.00 H new ATOM 66 N SER A 8 60.172 54.618 42.944 1.00 0.00 N ATOM 67 CA SER A 8 59.773 53.573 42.009 1.00 0.00 C ATOM 68 C SER A 8 59.362 54.172 40.668 1.00 0.00 C ATOM 69 O SER A 8 58.434 54.976 40.576 1.00 0.00 O ATOM 70 CB SER A 8 58.619 52.754 42.589 1.00 0.00 C ATOM 71 OG SER A 8 59.101 51.697 43.402 1.00 0.00 O ATOM 0 H SER A 8 59.952 55.565 42.637 1.00 0.00 H new ATOM 0 HA SER A 8 60.629 52.918 41.848 1.00 0.00 H new ATOM 0 HB2 SER A 8 57.969 53.402 43.177 1.00 0.00 H new ATOM 0 HB3 SER A 8 58.015 52.347 41.778 1.00 0.00 H new ATOM 0 HG SER A 8 59.850 52.019 43.947 1.00 0.00 H new ATOM 77 N PRO A 9 60.069 53.772 39.600 1.00 0.00 N ATOM 78 CA PRO A 9 59.797 54.257 38.244 1.00 0.00 C ATOM 79 C PRO A 9 58.478 53.725 37.692 1.00 0.00 C ATOM 80 O PRO A 9 57.720 53.066 38.402 1.00 0.00 O ATOM 81 CB PRO A 9 60.974 53.714 37.430 1.00 0.00 C ATOM 82 CG PRO A 9 61.433 52.513 38.183 1.00 0.00 C ATOM 83 CD PRO A 9 61.189 52.816 39.636 1.00 0.00 C ATOM 0 HA PRO A 9 59.703 55.342 38.211 1.00 0.00 H new ATOM 0 HB2 PRO A 9 60.668 53.453 36.417 1.00 0.00 H new ATOM 0 HB3 PRO A 9 61.769 54.454 37.342 1.00 0.00 H new ATOM 0 HG2 PRO A 9 60.884 51.624 37.872 1.00 0.00 H new ATOM 0 HG3 PRO A 9 62.489 52.316 37.997 1.00 0.00 H new ATOM 0 HD2 PRO A 9 60.933 51.917 40.197 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.071 53.247 40.110 1.00 0.00 H new ATOM 91 N GLU A 10 58.213 54.015 36.422 1.00 0.00 N ATOM 92 CA GLU A 10 56.985 53.566 35.777 1.00 0.00 C ATOM 93 C GLU A 10 57.184 53.419 34.271 1.00 0.00 C ATOM 94 O GLU A 10 58.250 53.736 33.741 1.00 0.00 O ATOM 95 CB GLU A 10 55.846 54.547 36.058 1.00 0.00 C ATOM 96 CG GLU A 10 56.041 55.908 35.412 1.00 0.00 C ATOM 97 CD GLU A 10 54.728 56.600 35.100 1.00 0.00 C ATOM 98 OE1 GLU A 10 54.049 57.041 36.051 1.00 0.00 O ATOM 99 OE2 GLU A 10 54.381 56.700 33.905 1.00 0.00 O ATOM 0 H GLU A 10 58.832 54.558 35.820 1.00 0.00 H new ATOM 0 HA GLU A 10 56.725 52.591 36.189 1.00 0.00 H new ATOM 0 HB2 GLU A 10 54.910 54.116 35.702 1.00 0.00 H new ATOM 0 HB3 GLU A 10 55.747 54.677 37.136 1.00 0.00 H new ATOM 0 HG2 GLU A 10 56.631 56.540 36.076 1.00 0.00 H new ATOM 0 HG3 GLU A 10 56.613 55.790 34.492 1.00 0.00 H new ATOM 106 N TYR A 11 56.152 52.936 33.588 1.00 0.00 N ATOM 107 CA TYR A 11 56.214 52.744 32.144 1.00 0.00 C ATOM 108 C TYR A 11 54.820 52.521 31.565 1.00 0.00 C ATOM 109 O TYR A 11 53.840 52.408 32.300 1.00 0.00 O ATOM 110 CB TYR A 11 57.115 51.556 31.805 1.00 0.00 C ATOM 111 CG TYR A 11 58.588 51.899 31.786 1.00 0.00 C ATOM 112 CD1 TYR A 11 59.079 52.897 30.954 1.00 0.00 C ATOM 113 CD2 TYR A 11 59.488 51.225 32.602 1.00 0.00 C ATOM 114 CE1 TYR A 11 60.423 53.213 30.934 1.00 0.00 C ATOM 115 CE2 TYR A 11 60.834 51.535 32.590 1.00 0.00 C ATOM 116 CZ TYR A 11 61.297 52.530 31.753 1.00 0.00 C ATOM 117 OH TYR A 11 62.637 52.842 31.737 1.00 0.00 O ATOM 0 H TYR A 11 55.263 52.670 34.011 1.00 0.00 H new ATOM 0 HA TYR A 11 56.633 53.647 31.700 1.00 0.00 H new ATOM 0 HB2 TYR A 11 56.945 50.762 32.533 1.00 0.00 H new ATOM 0 HB3 TYR A 11 56.830 51.161 30.830 1.00 0.00 H new ATOM 0 HD1 TYR A 11 58.398 53.435 30.312 1.00 0.00 H new ATOM 0 HD2 TYR A 11 59.129 50.445 33.257 1.00 0.00 H new ATOM 0 HE1 TYR A 11 60.788 53.991 30.280 1.00 0.00 H new ATOM 0 HE2 TYR A 11 61.520 51.002 33.232 1.00 0.00 H new ATOM 0 HH TYR A 11 63.114 52.269 32.373 1.00 0.00 H new ATOM 127 N GLY A 12 54.741 52.459 30.239 1.00 0.00 N ATOM 128 CA GLY A 12 53.465 52.249 29.581 1.00 0.00 C ATOM 129 C GLY A 12 53.533 51.178 28.511 1.00 0.00 C ATOM 130 O GLY A 12 54.403 50.308 28.548 1.00 0.00 O ATOM 0 H GLY A 12 55.538 52.550 29.609 1.00 0.00 H new ATOM 0 HA2 GLY A 12 52.718 51.969 30.324 1.00 0.00 H new ATOM 0 HA3 GLY A 12 53.133 53.185 29.133 1.00 0.00 H new ATOM 134 N MET A 13 52.611 51.239 27.555 1.00 0.00 N ATOM 135 CA MET A 13 52.570 50.266 26.470 1.00 0.00 C ATOM 136 C MET A 13 51.711 50.773 25.316 1.00 0.00 C ATOM 137 O MET A 13 50.674 51.407 25.515 1.00 0.00 O ATOM 138 CB MET A 13 52.027 48.928 26.976 1.00 0.00 C ATOM 139 CG MET A 13 53.095 48.023 27.569 1.00 0.00 C ATOM 140 SD MET A 13 52.661 46.276 27.465 1.00 0.00 S ATOM 141 CE MET A 13 52.425 45.883 29.197 1.00 0.00 C ATOM 0 H MET A 13 51.883 51.952 27.510 1.00 0.00 H new ATOM 0 HA MET A 13 53.587 50.123 26.106 1.00 0.00 H new ATOM 0 HB2 MET A 13 51.263 49.117 27.730 1.00 0.00 H new ATOM 0 HB3 MET A 13 51.539 48.408 26.152 1.00 0.00 H new ATOM 0 HG2 MET A 13 54.038 48.191 27.048 1.00 0.00 H new ATOM 0 HG3 MET A 13 53.255 48.292 28.613 1.00 0.00 H new ATOM 0 HE1 MET A 13 52.151 44.833 29.298 1.00 0.00 H new ATOM 0 HE2 MET A 13 53.350 46.071 29.742 1.00 0.00 H new ATOM 0 HE3 MET A 13 51.630 46.506 29.606 1.00 0.00 H new ATOM 151 N PRO A 14 52.149 50.489 24.081 1.00 0.00 N ATOM 152 CA PRO A 14 51.434 50.907 22.872 1.00 0.00 C ATOM 153 C PRO A 14 50.122 50.155 22.685 1.00 0.00 C ATOM 154 O PRO A 14 49.714 49.374 23.545 1.00 0.00 O ATOM 155 CB PRO A 14 52.412 50.565 21.745 1.00 0.00 C ATOM 156 CG PRO A 14 53.255 49.466 22.296 1.00 0.00 C ATOM 157 CD PRO A 14 53.377 49.737 23.770 1.00 0.00 C ATOM 0 HA PRO A 14 51.155 51.960 22.908 1.00 0.00 H new ATOM 0 HB2 PRO A 14 51.884 50.247 20.846 1.00 0.00 H new ATOM 0 HB3 PRO A 14 53.017 51.429 21.470 1.00 0.00 H new ATOM 0 HG2 PRO A 14 52.796 48.494 22.115 1.00 0.00 H new ATOM 0 HG3 PRO A 14 54.235 49.450 21.820 1.00 0.00 H new ATOM 0 HD2 PRO A 14 53.439 48.813 24.345 1.00 0.00 H new ATOM 0 HD3 PRO A 14 54.272 50.316 24.000 1.00 0.00 H new ATOM 165 N SER A 15 49.463 50.393 21.555 1.00 0.00 N ATOM 166 CA SER A 15 48.194 49.740 21.257 1.00 0.00 C ATOM 167 C SER A 15 48.220 49.112 19.866 1.00 0.00 C ATOM 168 O SER A 15 49.199 49.243 19.131 1.00 0.00 O ATOM 169 CB SER A 15 47.044 50.744 21.353 1.00 0.00 C ATOM 170 OG SER A 15 46.739 51.041 22.705 1.00 0.00 O ATOM 0 H SER A 15 49.787 51.034 20.831 1.00 0.00 H new ATOM 0 HA SER A 15 48.039 48.950 21.992 1.00 0.00 H new ATOM 0 HB2 SER A 15 47.312 51.660 20.827 1.00 0.00 H new ATOM 0 HB3 SER A 15 46.161 50.339 20.858 1.00 0.00 H new ATOM 0 HG SER A 15 46.002 51.686 22.740 1.00 0.00 H new ATOM 176 N VAL A 16 47.136 48.428 19.512 1.00 0.00 N ATOM 177 CA VAL A 16 47.033 47.780 18.211 1.00 0.00 C ATOM 178 C VAL A 16 45.665 48.023 17.583 1.00 0.00 C ATOM 179 O VAL A 16 44.717 48.415 18.264 1.00 0.00 O ATOM 180 CB VAL A 16 47.273 46.263 18.319 1.00 0.00 C ATOM 181 CG1 VAL A 16 48.672 45.979 18.846 1.00 0.00 C ATOM 182 CG2 VAL A 16 46.219 45.618 19.207 1.00 0.00 C ATOM 0 H VAL A 16 46.317 48.309 20.109 1.00 0.00 H new ATOM 0 HA VAL A 16 47.804 48.218 17.577 1.00 0.00 H new ATOM 0 HB VAL A 16 47.191 45.829 17.323 1.00 0.00 H new ATOM 0 HG11 VAL A 16 48.823 44.902 18.915 1.00 0.00 H new ATOM 0 HG12 VAL A 16 49.410 46.406 18.167 1.00 0.00 H new ATOM 0 HG13 VAL A 16 48.786 46.426 19.834 1.00 0.00 H new ATOM 0 HG21 VAL A 16 46.404 44.546 19.272 1.00 0.00 H new ATOM 0 HG22 VAL A 16 46.266 46.055 20.204 1.00 0.00 H new ATOM 0 HG23 VAL A 16 45.230 45.790 18.782 1.00 0.00 H new ATOM 192 N THR A 17 45.568 47.788 16.278 1.00 0.00 N ATOM 193 CA THR A 17 44.317 47.982 15.557 1.00 0.00 C ATOM 194 C THR A 17 43.634 46.649 15.272 1.00 0.00 C ATOM 195 O THR A 17 44.227 45.585 15.453 1.00 0.00 O ATOM 196 CB THR A 17 44.544 48.724 14.226 1.00 0.00 C ATOM 197 OG1 THR A 17 45.478 48.001 13.416 1.00 0.00 O ATOM 198 CG2 THR A 17 45.064 50.132 14.474 1.00 0.00 C ATOM 0 H THR A 17 46.342 47.463 15.699 1.00 0.00 H new ATOM 0 HA THR A 17 43.675 48.587 16.197 1.00 0.00 H new ATOM 0 HB THR A 17 43.589 48.793 13.705 1.00 0.00 H new ATOM 0 HG1 THR A 17 45.616 48.478 12.571 1.00 0.00 H new ATOM 0 HG21 THR A 17 45.217 50.637 13.520 1.00 0.00 H new ATOM 0 HG22 THR A 17 44.338 50.689 15.067 1.00 0.00 H new ATOM 0 HG23 THR A 17 46.010 50.081 15.013 1.00 0.00 H new ATOM 464 N PRO A 36 1.991 17.422 -6.341 1.00 0.00 N ATOM 465 CA PRO A 36 1.297 16.194 -6.741 1.00 0.00 C ATOM 466 C PRO A 36 2.241 15.000 -6.835 1.00 0.00 C ATOM 467 O PRO A 36 3.293 15.075 -7.471 1.00 0.00 O ATOM 468 CB PRO A 36 0.732 16.539 -8.120 1.00 0.00 C ATOM 469 CG PRO A 36 1.629 17.609 -8.641 1.00 0.00 C ATOM 470 CD PRO A 36 2.071 18.399 -7.440 1.00 0.00 C ATOM 0 HA PRO A 36 0.538 15.900 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.731 15.669 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.299 16.886 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.485 17.181 -9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.105 18.244 -9.355 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.083 18.784 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.423 19.257 -7.263 1.00 0.00 H new ATOM 478 N THR A 37 1.858 13.897 -6.199 1.00 0.00 N ATOM 479 CA THR A 37 2.670 12.687 -6.211 1.00 0.00 C ATOM 480 C THR A 37 1.961 11.556 -6.947 1.00 0.00 C ATOM 481 O THR A 37 0.757 11.354 -6.781 1.00 0.00 O ATOM 482 CB THR A 37 3.007 12.222 -4.782 1.00 0.00 C ATOM 483 OG1 THR A 37 1.803 11.941 -4.061 1.00 0.00 O ATOM 484 CG2 THR A 37 3.810 13.283 -4.043 1.00 0.00 C ATOM 0 H THR A 37 0.990 13.817 -5.669 1.00 0.00 H new ATOM 0 HA THR A 37 3.595 12.933 -6.733 1.00 0.00 H new ATOM 0 HB THR A 37 3.608 11.316 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.014 11.800 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.036 12.932 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.740 13.474 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.229 14.204 -3.985 1.00 0.00 H new ATOM 492 N TYR A 38 2.713 10.821 -7.758 1.00 0.00 N ATOM 493 CA TYR A 38 2.155 9.710 -8.520 1.00 0.00 C ATOM 494 C TYR A 38 2.773 8.385 -8.085 1.00 0.00 C ATOM 495 O TYR A 38 2.068 7.463 -7.674 1.00 0.00 O ATOM 496 CB TYR A 38 2.385 9.925 -10.017 1.00 0.00 C ATOM 497 CG TYR A 38 1.763 11.197 -10.549 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.184 12.441 -10.096 1.00 0.00 C ATOM 499 CD2 TYR A 38 0.755 11.154 -11.504 1.00 0.00 C ATOM 500 CE1 TYR A 38 1.619 13.606 -10.579 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.185 12.314 -11.993 1.00 0.00 C ATOM 502 CZ TYR A 38 0.620 13.537 -11.527 1.00 0.00 C ATOM 503 OH TYR A 38 0.055 14.694 -12.011 1.00 0.00 O ATOM 0 H TYR A 38 3.711 10.974 -7.905 1.00 0.00 H new ATOM 0 HA TYR A 38 1.083 9.671 -8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.457 9.946 -10.212 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.978 9.075 -10.564 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.966 12.499 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.411 10.198 -11.870 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.958 14.565 -10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.597 12.263 -12.736 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.632 14.470 -12.673 1.00 0.00 H new ATOM 513 N CYS A 39 4.095 8.298 -8.177 1.00 0.00 N ATOM 514 CA CYS A 39 4.811 7.088 -7.793 1.00 0.00 C ATOM 515 C CYS A 39 4.148 6.422 -6.591 1.00 0.00 C ATOM 516 O CYS A 39 3.491 7.082 -5.785 1.00 0.00 O ATOM 517 CB CYS A 39 6.270 7.415 -7.467 1.00 0.00 C ATOM 518 SG CYS A 39 7.374 5.965 -7.464 1.00 0.00 S ATOM 0 H CYS A 39 4.693 9.052 -8.515 1.00 0.00 H new ATOM 0 HA CYS A 39 4.780 6.395 -8.634 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.640 8.139 -8.193 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.314 7.894 -6.489 1.00 0.00 H new ATOM 0 HG CYS A 39 8.611 6.361 -7.525 1.00 0.00 H new ATOM 523 N LEU A 40 4.325 5.110 -6.477 1.00 0.00 N ATOM 524 CA LEU A 40 3.744 4.353 -5.373 1.00 0.00 C ATOM 525 C LEU A 40 4.110 4.979 -4.031 1.00 0.00 C ATOM 526 O LEU A 40 3.259 5.138 -3.155 1.00 0.00 O ATOM 527 CB LEU A 40 4.221 2.900 -5.418 1.00 0.00 C ATOM 528 CG LEU A 40 4.087 2.191 -6.766 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.182 1.149 -6.932 1.00 0.00 C ATOM 530 CD2 LEU A 40 2.713 1.550 -6.897 1.00 0.00 C ATOM 0 H LEU A 40 4.866 4.549 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 40 2.660 4.376 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.269 2.873 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.662 2.332 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 40 4.197 2.932 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.071 0.655 -7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.157 1.635 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.105 0.410 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.635 1.050 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.574 0.821 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.944 2.319 -6.824 1.00 0.00 H new ATOM 542 N CYS A 41 5.381 5.335 -3.877 1.00 0.00 N ATOM 543 CA CYS A 41 5.860 5.945 -2.643 1.00 0.00 C ATOM 544 C CYS A 41 5.142 7.265 -2.375 1.00 0.00 C ATOM 545 O CYS A 41 5.255 7.836 -1.289 1.00 0.00 O ATOM 546 CB CYS A 41 7.370 6.180 -2.719 1.00 0.00 C ATOM 547 SG CYS A 41 7.871 7.403 -3.972 1.00 0.00 S ATOM 0 H CYS A 41 6.098 5.211 -4.592 1.00 0.00 H new ATOM 0 HA CYS A 41 5.646 5.261 -1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.725 6.510 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.864 5.232 -2.934 1.00 0.00 H new ATOM 0 HG CYS A 41 7.699 6.903 -5.160 1.00 0.00 H new ATOM 552 N HIS A 42 4.404 7.744 -3.371 1.00 0.00 N ATOM 553 CA HIS A 42 3.667 8.996 -3.242 1.00 0.00 C ATOM 554 C HIS A 42 4.621 10.174 -3.074 1.00 0.00 C ATOM 555 O HIS A 42 4.463 10.986 -2.163 1.00 0.00 O ATOM 556 CB HIS A 42 2.707 8.928 -2.054 1.00 0.00 C ATOM 557 CG HIS A 42 1.698 7.826 -2.161 1.00 0.00 C ATOM 558 ND1 HIS A 42 1.138 7.209 -1.062 1.00 0.00 N ATOM 559 CD2 HIS A 42 1.148 7.231 -3.245 1.00 0.00 C ATOM 560 CE1 HIS A 42 0.288 6.282 -1.466 1.00 0.00 C ATOM 561 NE2 HIS A 42 0.275 6.276 -2.787 1.00 0.00 N ATOM 0 H HIS A 42 4.300 7.285 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 42 3.092 9.145 -4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.284 8.794 -1.139 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.184 9.880 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.357 7.464 -4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.297 5.639 -0.825 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.292 5.662 -3.372 1.00 0.00 H new ATOM 570 N GLN A 43 5.611 10.258 -3.956 1.00 0.00 N ATOM 571 CA GLN A 43 6.592 11.336 -3.903 1.00 0.00 C ATOM 572 C GLN A 43 6.460 12.252 -5.116 1.00 0.00 C ATOM 573 O GLN A 43 5.856 11.883 -6.122 1.00 0.00 O ATOM 574 CB GLN A 43 8.008 10.762 -3.834 1.00 0.00 C ATOM 575 CG GLN A 43 8.405 10.288 -2.445 1.00 0.00 C ATOM 576 CD GLN A 43 9.904 10.116 -2.293 1.00 0.00 C ATOM 577 OE1 GLN A 43 10.688 10.882 -2.853 1.00 0.00 O ATOM 578 NE2 GLN A 43 10.309 9.105 -1.534 1.00 0.00 N ATOM 0 H GLN A 43 5.755 9.593 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 43 6.402 11.923 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.087 9.927 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.716 11.522 -4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.049 11.005 -1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.911 9.340 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.623 8.495 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.306 8.938 -1.396 1.00 0.00 H new ATOM 587 N VAL A 44 7.031 13.448 -5.012 1.00 0.00 N ATOM 588 CA VAL A 44 6.978 14.417 -6.100 1.00 0.00 C ATOM 589 C VAL A 44 7.884 13.999 -7.253 1.00 0.00 C ATOM 590 O VAL A 44 9.067 13.720 -7.056 1.00 0.00 O ATOM 591 CB VAL A 44 7.390 15.822 -5.621 1.00 0.00 C ATOM 592 CG1 VAL A 44 8.751 15.777 -4.944 1.00 0.00 C ATOM 593 CG2 VAL A 44 7.397 16.801 -6.786 1.00 0.00 C ATOM 0 H VAL A 44 7.535 13.769 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 44 5.945 14.448 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 44 6.658 16.167 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.026 16.778 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.708 15.109 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.497 15.411 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.690 17.788 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.106 16.463 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.400 16.854 -7.223 1.00 0.00 H new ATOM 603 N SER A 45 7.321 13.958 -8.456 1.00 0.00 N ATOM 604 CA SER A 45 8.077 13.571 -9.641 1.00 0.00 C ATOM 605 C SER A 45 9.240 14.529 -9.881 1.00 0.00 C ATOM 606 O SER A 45 9.058 15.746 -9.916 1.00 0.00 O ATOM 607 CB SER A 45 7.164 13.542 -10.868 1.00 0.00 C ATOM 608 OG SER A 45 6.930 14.850 -11.361 1.00 0.00 O ATOM 0 H SER A 45 6.344 14.188 -8.636 1.00 0.00 H new ATOM 0 HA SER A 45 8.480 12.572 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.618 12.932 -11.649 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.215 13.073 -10.608 1.00 0.00 H new ATOM 0 HG SER A 45 7.565 15.473 -10.950 1.00 0.00 H new ATOM 614 N TYR A 46 10.434 13.971 -10.046 1.00 0.00 N ATOM 615 CA TYR A 46 11.627 14.775 -10.280 1.00 0.00 C ATOM 616 C TYR A 46 12.117 14.617 -11.716 1.00 0.00 C ATOM 617 O TYR A 46 13.057 15.288 -12.141 1.00 0.00 O ATOM 618 CB TYR A 46 12.736 14.376 -9.305 1.00 0.00 C ATOM 619 CG TYR A 46 12.528 13.017 -8.675 1.00 0.00 C ATOM 620 CD1 TYR A 46 12.819 11.853 -9.375 1.00 0.00 C ATOM 621 CD2 TYR A 46 12.039 12.897 -7.380 1.00 0.00 C ATOM 622 CE1 TYR A 46 12.630 10.609 -8.804 1.00 0.00 C ATOM 623 CE2 TYR A 46 11.848 11.658 -6.800 1.00 0.00 C ATOM 624 CZ TYR A 46 12.145 10.517 -7.516 1.00 0.00 C ATOM 625 OH TYR A 46 11.955 9.281 -6.943 1.00 0.00 O ATOM 0 H TYR A 46 10.601 12.965 -10.022 1.00 0.00 H new ATOM 0 HA TYR A 46 11.367 15.821 -10.116 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.690 14.381 -9.832 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.803 15.126 -8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.200 11.922 -10.383 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.804 13.788 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.861 9.714 -9.363 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.468 11.583 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 46 11.491 9.386 -6.086 1.00 0.00 H new ATOM 635 N GLY A 47 11.471 13.724 -12.461 1.00 0.00 N ATOM 636 CA GLY A 47 11.853 13.494 -13.841 1.00 0.00 C ATOM 637 C GLY A 47 12.016 12.021 -14.159 1.00 0.00 C ATOM 638 O GLY A 47 11.164 11.423 -14.816 1.00 0.00 O ATOM 0 H GLY A 47 10.690 13.156 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.099 13.924 -14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.789 14.013 -14.047 1.00 0.00 H new ATOM 642 N GLU A 48 13.115 11.434 -13.694 1.00 0.00 N ATOM 643 CA GLU A 48 13.387 10.022 -13.936 1.00 0.00 C ATOM 644 C GLU A 48 12.134 9.181 -13.714 1.00 0.00 C ATOM 645 O GLU A 48 11.794 8.840 -12.581 1.00 0.00 O ATOM 646 CB GLU A 48 14.512 9.533 -13.020 1.00 0.00 C ATOM 647 CG GLU A 48 14.329 9.931 -11.566 1.00 0.00 C ATOM 648 CD GLU A 48 15.197 9.119 -10.625 1.00 0.00 C ATOM 649 OE1 GLU A 48 16.407 9.412 -10.530 1.00 0.00 O ATOM 650 OE2 GLU A 48 14.666 8.188 -9.983 1.00 0.00 O ATOM 0 H GLU A 48 13.830 11.914 -13.148 1.00 0.00 H new ATOM 0 HA GLU A 48 13.699 9.911 -14.974 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.576 8.447 -13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.461 9.930 -13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.565 10.989 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.283 9.806 -11.288 1.00 0.00 H new ATOM 657 N MET A 49 11.449 8.850 -14.804 1.00 0.00 N ATOM 658 CA MET A 49 10.234 8.048 -14.729 1.00 0.00 C ATOM 659 C MET A 49 10.028 7.252 -16.014 1.00 0.00 C ATOM 660 O MET A 49 10.674 7.515 -17.028 1.00 0.00 O ATOM 661 CB MET A 49 9.021 8.944 -14.471 1.00 0.00 C ATOM 662 CG MET A 49 9.122 9.748 -13.185 1.00 0.00 C ATOM 663 SD MET A 49 7.601 10.637 -12.800 1.00 0.00 S ATOM 664 CE MET A 49 6.777 9.453 -11.738 1.00 0.00 C ATOM 0 H MET A 49 11.715 9.125 -15.750 1.00 0.00 H new ATOM 0 HA MET A 49 10.342 7.347 -13.901 1.00 0.00 H new ATOM 0 HB2 MET A 49 8.901 9.629 -15.310 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.124 8.326 -14.434 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.365 9.078 -12.360 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.943 10.460 -13.270 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.962 9.946 -11.207 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.377 8.639 -12.342 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.490 9.053 -11.017 1.00 0.00 H new ATOM 674 N ILE A 50 9.125 6.278 -15.963 1.00 0.00 N ATOM 675 CA ILE A 50 8.834 5.445 -17.123 1.00 0.00 C ATOM 676 C ILE A 50 7.358 5.522 -17.499 1.00 0.00 C ATOM 677 O ILE A 50 6.990 5.320 -18.655 1.00 0.00 O ATOM 678 CB ILE A 50 9.212 3.974 -16.868 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.053 3.236 -16.195 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.468 3.890 -16.014 1.00 0.00 C ATOM 681 CD1 ILE A 50 7.921 3.537 -14.719 1.00 0.00 C ATOM 0 H ILE A 50 8.583 6.047 -15.131 1.00 0.00 H new ATOM 0 HA ILE A 50 9.436 5.829 -17.947 1.00 0.00 H new ATOM 0 HB ILE A 50 9.415 3.495 -17.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.123 3.503 -16.697 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.190 2.163 -16.328 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.722 2.844 -15.843 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.292 4.384 -16.529 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.291 4.382 -15.057 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.079 2.980 -14.308 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.836 3.244 -14.205 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.752 4.605 -14.579 1.00 0.00 H new ATOM 693 N GLY A 51 6.516 5.817 -16.513 1.00 0.00 N ATOM 694 CA GLY A 51 5.090 5.917 -16.761 1.00 0.00 C ATOM 695 C GLY A 51 4.509 4.638 -17.331 1.00 0.00 C ATOM 696 O GLY A 51 4.845 4.239 -18.447 1.00 0.00 O ATOM 0 H GLY A 51 6.796 5.988 -15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.579 6.161 -15.830 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.901 6.738 -17.453 1.00 0.00 H new ATOM 700 N CYS A 52 3.637 3.993 -16.564 1.00 0.00 N ATOM 701 CA CYS A 52 3.010 2.750 -16.998 1.00 0.00 C ATOM 702 C CYS A 52 2.542 2.854 -18.447 1.00 0.00 C ATOM 703 O CYS A 52 1.945 3.853 -18.847 1.00 0.00 O ATOM 704 CB CYS A 52 1.826 2.409 -16.091 1.00 0.00 C ATOM 705 SG CYS A 52 1.266 0.680 -16.219 1.00 0.00 S ATOM 0 H CYS A 52 3.348 4.310 -15.639 1.00 0.00 H new ATOM 0 HA CYS A 52 3.752 1.954 -16.931 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.103 2.614 -15.057 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.993 3.069 -16.335 1.00 0.00 H new ATOM 0 HG CYS A 52 0.380 0.441 -15.298 1.00 0.00 H new ATOM 710 N ASP A 53 2.818 1.814 -19.227 1.00 0.00 N ATOM 711 CA ASP A 53 2.424 1.787 -20.631 1.00 0.00 C ATOM 712 C ASP A 53 0.906 1.837 -20.771 1.00 0.00 C ATOM 713 O ASP A 53 0.381 2.304 -21.780 1.00 0.00 O ATOM 714 CB ASP A 53 2.971 0.531 -21.311 1.00 0.00 C ATOM 715 CG ASP A 53 2.648 0.487 -22.792 1.00 0.00 C ATOM 716 OD1 ASP A 53 3.459 1.001 -23.591 1.00 0.00 O ATOM 717 OD2 ASP A 53 1.584 -0.060 -23.152 1.00 0.00 O ATOM 0 H ASP A 53 3.312 0.980 -18.911 1.00 0.00 H new ATOM 0 HA ASP A 53 2.844 2.667 -21.118 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.052 0.490 -21.176 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.556 -0.352 -20.825 1.00 0.00 H new ATOM 722 N ASN A 54 0.207 1.349 -19.751 1.00 0.00 N ATOM 723 CA ASN A 54 -1.252 1.337 -19.761 1.00 0.00 C ATOM 724 C ASN A 54 -1.809 2.742 -19.554 1.00 0.00 C ATOM 725 O ASN A 54 -1.560 3.391 -18.538 1.00 0.00 O ATOM 726 CB ASN A 54 -1.782 0.399 -18.675 1.00 0.00 C ATOM 727 CG ASN A 54 -3.281 0.527 -18.482 1.00 0.00 C ATOM 728 OD1 ASN A 54 -4.002 0.939 -19.391 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.757 0.173 -17.294 1.00 0.00 N ATOM 0 H ASN A 54 0.627 0.957 -18.908 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.582 0.976 -20.735 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.539 -0.631 -18.938 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.277 0.616 -17.733 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.757 0.237 -17.106 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.122 -0.163 -16.570 1.00 0.00 H new ATOM 736 N PRO A 55 -2.583 3.223 -20.538 1.00 0.00 N ATOM 737 CA PRO A 55 -3.194 4.554 -20.486 1.00 0.00 C ATOM 738 C PRO A 55 -4.299 4.645 -19.440 1.00 0.00 C ATOM 739 O PRO A 55 -4.592 5.724 -18.924 1.00 0.00 O ATOM 740 CB PRO A 55 -3.772 4.735 -21.892 1.00 0.00 C ATOM 741 CG PRO A 55 -4.007 3.349 -22.385 1.00 0.00 C ATOM 742 CD PRO A 55 -2.922 2.503 -21.777 1.00 0.00 C ATOM 0 HA PRO A 55 -2.473 5.322 -20.205 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.698 5.309 -21.869 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.079 5.273 -22.539 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.993 2.991 -22.088 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.968 3.310 -23.474 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.269 1.491 -21.571 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.061 2.416 -22.440 1.00 0.00 H new ATOM 750 N ASP A 56 -4.909 3.506 -19.130 1.00 0.00 N ATOM 751 CA ASP A 56 -5.982 3.457 -18.143 1.00 0.00 C ATOM 752 C ASP A 56 -5.434 3.660 -16.734 1.00 0.00 C ATOM 753 O ASP A 56 -6.066 4.306 -15.898 1.00 0.00 O ATOM 754 CB ASP A 56 -6.721 2.121 -18.229 1.00 0.00 C ATOM 755 CG ASP A 56 -8.006 2.118 -17.423 1.00 0.00 C ATOM 756 OD1 ASP A 56 -7.983 2.590 -16.267 1.00 0.00 O ATOM 757 OD2 ASP A 56 -9.034 1.643 -17.949 1.00 0.00 O ATOM 0 H ASP A 56 -4.679 2.604 -19.548 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.681 4.265 -18.361 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.949 1.902 -19.272 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.069 1.324 -17.871 1.00 0.00 H new ATOM 762 N CYS A 57 -4.254 3.103 -16.478 1.00 0.00 N ATOM 763 CA CYS A 57 -3.621 3.221 -15.170 1.00 0.00 C ATOM 764 C CYS A 57 -3.714 4.652 -14.647 1.00 0.00 C ATOM 765 O CYS A 57 -3.273 5.594 -15.305 1.00 0.00 O ATOM 766 CB CYS A 57 -2.155 2.790 -15.249 1.00 0.00 C ATOM 767 SG CYS A 57 -1.497 2.102 -13.696 1.00 0.00 S ATOM 0 H CYS A 57 -3.718 2.566 -17.159 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.149 2.565 -14.478 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.048 2.045 -16.038 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.550 3.649 -15.538 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.571 0.805 -13.730 1.00 0.00 H new ATOM 772 N SER A 58 -4.292 4.806 -13.460 1.00 0.00 N ATOM 773 CA SER A 58 -4.446 6.121 -12.850 1.00 0.00 C ATOM 774 C SER A 58 -3.087 6.738 -12.537 1.00 0.00 C ATOM 775 O SER A 58 -2.840 7.907 -12.835 1.00 0.00 O ATOM 776 CB SER A 58 -5.279 6.019 -11.571 1.00 0.00 C ATOM 777 OG SER A 58 -5.441 7.289 -10.964 1.00 0.00 O ATOM 0 H SER A 58 -4.661 4.036 -12.902 1.00 0.00 H new ATOM 0 HA SER A 58 -4.963 6.765 -13.561 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.257 5.596 -11.803 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.795 5.337 -10.872 1.00 0.00 H new ATOM 0 HG SER A 58 -5.978 7.196 -10.150 1.00 0.00 H new ATOM 783 N ILE A 59 -2.209 5.944 -11.933 1.00 0.00 N ATOM 784 CA ILE A 59 -0.874 6.411 -11.580 1.00 0.00 C ATOM 785 C ILE A 59 0.000 6.567 -12.820 1.00 0.00 C ATOM 786 O ILE A 59 0.570 7.630 -13.059 1.00 0.00 O ATOM 787 CB ILE A 59 -0.182 5.448 -10.597 1.00 0.00 C ATOM 788 CG1 ILE A 59 -1.026 5.285 -9.330 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.210 5.954 -10.251 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.511 4.214 -8.395 1.00 0.00 C ATOM 0 H ILE A 59 -2.398 4.975 -11.678 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.997 7.382 -11.100 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.084 4.473 -11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.056 6.236 -8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.051 5.046 -9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.686 5.263 -9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.808 6.024 -11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.135 6.939 -9.790 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.157 4.154 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.507 3.253 -8.910 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.503 4.462 -8.081 1.00 0.00 H new ATOM 802 N GLU A 60 0.098 5.499 -13.607 1.00 0.00 N ATOM 803 CA GLU A 60 0.901 5.519 -14.823 1.00 0.00 C ATOM 804 C GLU A 60 2.127 6.412 -14.652 1.00 0.00 C ATOM 805 O GLU A 60 2.482 7.175 -15.550 1.00 0.00 O ATOM 806 CB GLU A 60 0.063 6.006 -16.007 1.00 0.00 C ATOM 807 CG GLU A 60 -0.316 7.475 -15.920 1.00 0.00 C ATOM 808 CD GLU A 60 -1.477 7.832 -16.828 1.00 0.00 C ATOM 809 OE1 GLU A 60 -1.577 7.243 -17.925 1.00 0.00 O ATOM 810 OE2 GLU A 60 -2.286 8.702 -16.441 1.00 0.00 O ATOM 0 H GLU A 60 -0.368 4.611 -13.424 1.00 0.00 H new ATOM 0 HA GLU A 60 1.239 4.502 -15.020 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.619 5.837 -16.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.846 5.408 -16.069 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.577 7.719 -14.890 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.548 8.086 -16.183 1.00 0.00 H new ATOM 817 N TRP A 61 2.767 6.310 -13.493 1.00 0.00 N ATOM 818 CA TRP A 61 3.953 7.109 -13.203 1.00 0.00 C ATOM 819 C TRP A 61 4.702 6.553 -11.997 1.00 0.00 C ATOM 820 O TRP A 61 4.103 6.262 -10.962 1.00 0.00 O ATOM 821 CB TRP A 61 3.562 8.566 -12.948 1.00 0.00 C ATOM 822 CG TRP A 61 3.302 9.339 -14.206 1.00 0.00 C ATOM 823 CD1 TRP A 61 2.096 9.798 -14.651 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.272 9.743 -15.179 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.257 10.462 -15.844 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.583 10.443 -16.188 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.655 9.582 -15.295 1.00 0.00 C ATOM 828 CZ2 TRP A 61 4.231 10.979 -17.297 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.297 10.115 -16.397 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.586 10.807 -17.386 1.00 0.00 C ATOM 0 H TRP A 61 2.486 5.683 -12.739 1.00 0.00 H new ATOM 0 HA TRP A 61 4.612 7.063 -14.070 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.669 8.591 -12.323 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.358 9.056 -12.387 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.154 9.660 -14.141 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.510 10.898 -16.385 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.212 9.051 -14.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.684 11.512 -18.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.366 9.996 -16.497 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.117 11.212 -18.235 1.00 0.00 H new ATOM 841 N PHE A 62 6.016 6.408 -12.137 1.00 0.00 N ATOM 842 CA PHE A 62 6.847 5.886 -11.059 1.00 0.00 C ATOM 843 C PHE A 62 8.308 6.275 -11.261 1.00 0.00 C ATOM 844 O PHE A 62 8.660 6.916 -12.252 1.00 0.00 O ATOM 845 CB PHE A 62 6.719 4.363 -10.980 1.00 0.00 C ATOM 846 CG PHE A 62 5.302 3.875 -11.073 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.498 3.822 -9.945 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.773 3.469 -12.288 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.194 3.372 -10.028 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.469 3.019 -12.377 1.00 0.00 C ATOM 851 CZ PHE A 62 2.679 2.971 -11.246 1.00 0.00 C ATOM 0 H PHE A 62 6.528 6.645 -12.987 1.00 0.00 H new ATOM 0 HA PHE A 62 6.500 6.322 -10.122 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.303 3.915 -11.784 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.153 4.018 -10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.895 4.136 -8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.387 3.505 -13.176 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.578 3.334 -9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.069 2.705 -13.330 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.660 2.620 -11.313 1.00 0.00 H new ATOM 861 N HIS A 63 9.155 5.883 -10.314 1.00 0.00 N ATOM 862 CA HIS A 63 10.579 6.191 -10.388 1.00 0.00 C ATOM 863 C HIS A 63 11.388 4.942 -10.722 1.00 0.00 C ATOM 864 O HIS A 63 10.834 3.853 -10.874 1.00 0.00 O ATOM 865 CB HIS A 63 11.062 6.787 -9.065 1.00 0.00 C ATOM 866 CG HIS A 63 10.282 7.988 -8.628 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.737 8.114 -7.368 1.00 0.00 N ATOM 868 CD2 HIS A 63 9.957 9.122 -9.292 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.109 9.273 -7.276 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.228 9.904 -8.430 1.00 0.00 N ATOM 0 H HIS A 63 8.880 5.352 -9.487 1.00 0.00 H new ATOM 0 HA HIS A 63 10.727 6.922 -11.183 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.003 6.024 -8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.112 7.062 -9.162 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.808 7.421 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.222 9.366 -10.310 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.587 9.642 -6.405 1.00 0.00 H new ATOM 878 N PHE A 64 12.702 5.106 -10.837 1.00 0.00 N ATOM 879 CA PHE A 64 13.587 3.992 -11.155 1.00 0.00 C ATOM 880 C PHE A 64 14.129 3.347 -9.883 1.00 0.00 C ATOM 881 O PHE A 64 14.203 2.123 -9.778 1.00 0.00 O ATOM 882 CB PHE A 64 14.747 4.469 -12.032 1.00 0.00 C ATOM 883 CG PHE A 64 14.308 5.277 -13.219 1.00 0.00 C ATOM 884 CD1 PHE A 64 13.023 5.153 -13.721 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.181 6.160 -13.835 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.615 5.895 -14.814 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.779 6.905 -14.927 1.00 0.00 C ATOM 888 CZ PHE A 64 13.495 6.771 -15.418 1.00 0.00 C ATOM 0 H PHE A 64 13.177 6.000 -10.715 1.00 0.00 H new ATOM 0 HA PHE A 64 13.009 3.247 -11.702 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.427 5.068 -11.427 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.309 3.602 -12.380 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.331 4.468 -13.253 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.187 6.267 -13.457 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.610 5.790 -15.195 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.468 7.591 -15.396 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.180 7.351 -16.273 1.00 0.00 H new ATOM 898 N ALA A 65 14.505 4.180 -8.918 1.00 0.00 N ATOM 899 CA ALA A 65 15.038 3.691 -7.652 1.00 0.00 C ATOM 900 C ALA A 65 13.916 3.281 -6.706 1.00 0.00 C ATOM 901 O ALA A 65 14.095 3.254 -5.488 1.00 0.00 O ATOM 902 CB ALA A 65 15.916 4.752 -7.005 1.00 0.00 C ATOM 0 H ALA A 65 14.450 5.196 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 65 15.644 2.809 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.307 4.374 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.745 4.994 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.326 5.649 -6.820 1.00 0.00 H new ATOM 908 N CYS A 66 12.756 2.964 -7.272 1.00 0.00 N ATOM 909 CA CYS A 66 11.603 2.556 -6.479 1.00 0.00 C ATOM 910 C CYS A 66 11.108 1.178 -6.908 1.00 0.00 C ATOM 911 O CYS A 66 10.389 0.506 -6.168 1.00 0.00 O ATOM 912 CB CYS A 66 10.475 3.581 -6.617 1.00 0.00 C ATOM 913 SG CYS A 66 10.515 4.902 -5.363 1.00 0.00 S ATOM 0 H CYS A 66 12.590 2.982 -8.278 1.00 0.00 H new ATOM 0 HA CYS A 66 11.912 2.503 -5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.528 4.033 -7.607 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.518 3.063 -6.554 1.00 0.00 H new ATOM 0 HG CYS A 66 9.346 5.466 -5.290 1.00 0.00 H new ATOM 918 N VAL A 67 11.498 0.762 -8.109 1.00 0.00 N ATOM 919 CA VAL A 67 11.095 -0.536 -8.637 1.00 0.00 C ATOM 920 C VAL A 67 12.277 -1.263 -9.267 1.00 0.00 C ATOM 921 O VAL A 67 12.372 -2.488 -9.202 1.00 0.00 O ATOM 922 CB VAL A 67 9.976 -0.393 -9.685 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.717 0.175 -9.049 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.439 0.479 -10.843 1.00 0.00 C ATOM 0 H VAL A 67 12.093 1.305 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 67 10.721 -1.118 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 67 9.741 -1.383 -10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.938 0.269 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.376 -0.493 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.933 1.157 -8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.636 0.569 -11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.703 1.469 -10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.310 0.025 -11.315 1.00 0.00 H new ATOM 934 N GLY A 68 13.178 -0.499 -9.878 1.00 0.00 N ATOM 935 CA GLY A 68 14.343 -1.089 -10.512 1.00 0.00 C ATOM 936 C GLY A 68 14.396 -0.810 -12.001 1.00 0.00 C ATOM 937 O GLY A 68 14.270 -1.724 -12.816 1.00 0.00 O ATOM 0 H GLY A 68 13.122 0.517 -9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.246 -0.700 -10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.336 -2.166 -10.347 1.00 0.00 H new ATOM 941 N LEU A 69 14.583 0.456 -12.358 1.00 0.00 N ATOM 942 CA LEU A 69 14.651 0.854 -13.760 1.00 0.00 C ATOM 943 C LEU A 69 15.812 1.814 -13.997 1.00 0.00 C ATOM 944 O LEU A 69 15.614 2.952 -14.427 1.00 0.00 O ATOM 945 CB LEU A 69 13.337 1.508 -14.189 1.00 0.00 C ATOM 946 CG LEU A 69 12.155 0.562 -14.404 1.00 0.00 C ATOM 947 CD1 LEU A 69 10.847 1.254 -14.054 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.128 0.061 -15.841 1.00 0.00 C ATOM 0 H LEU A 69 14.690 1.225 -11.696 1.00 0.00 H new ATOM 0 HA LEU A 69 14.816 -0.041 -14.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.056 2.242 -13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.512 2.055 -15.116 1.00 0.00 H new ATOM 0 HG LEU A 69 12.276 -0.296 -13.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.017 0.565 -14.213 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.867 1.563 -13.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.718 2.131 -14.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.280 -0.611 -15.976 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.031 0.908 -16.520 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.053 -0.474 -16.057 1.00 0.00 H new ATOM 960 N THR A 70 17.026 1.349 -13.717 1.00 0.00 N ATOM 961 CA THR A 70 18.219 2.166 -13.901 1.00 0.00 C ATOM 962 C THR A 70 17.999 3.225 -14.975 1.00 0.00 C ATOM 963 O THR A 70 18.344 4.393 -14.789 1.00 0.00 O ATOM 964 CB THR A 70 19.435 1.304 -14.288 1.00 0.00 C ATOM 965 OG1 THR A 70 20.533 2.144 -14.660 1.00 0.00 O ATOM 966 CG2 THR A 70 19.093 0.370 -15.439 1.00 0.00 C ATOM 0 H THR A 70 17.209 0.410 -13.362 1.00 0.00 H new ATOM 0 HA THR A 70 18.418 2.655 -12.947 1.00 0.00 H new ATOM 0 HB THR A 70 19.715 0.702 -13.423 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.303 1.588 -14.903 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.968 -0.228 -15.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.277 -0.289 -15.143 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.789 0.957 -16.306 1.00 0.00 H new ATOM 974 N THR A 71 17.423 2.812 -16.099 1.00 0.00 N ATOM 975 CA THR A 71 17.158 3.726 -17.203 1.00 0.00 C ATOM 976 C THR A 71 15.739 3.551 -17.733 1.00 0.00 C ATOM 977 O THR A 71 15.176 2.457 -17.682 1.00 0.00 O ATOM 978 CB THR A 71 18.155 3.516 -18.358 1.00 0.00 C ATOM 979 OG1 THR A 71 18.171 2.138 -18.747 1.00 0.00 O ATOM 980 CG2 THR A 71 19.555 3.949 -17.950 1.00 0.00 C ATOM 0 H THR A 71 17.131 1.850 -16.269 1.00 0.00 H new ATOM 0 HA THR A 71 17.275 4.737 -16.812 1.00 0.00 H new ATOM 0 HB THR A 71 17.834 4.128 -19.201 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.806 2.013 -19.483 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.242 3.791 -18.782 1.00 0.00 H new ATOM 0 HG22 THR A 71 19.546 5.006 -17.683 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.882 3.361 -17.093 1.00 0.00 H new ATOM 988 N LYS A 72 15.165 4.635 -18.244 1.00 0.00 N ATOM 989 CA LYS A 72 13.812 4.602 -18.786 1.00 0.00 C ATOM 990 C LYS A 72 13.702 3.577 -19.910 1.00 0.00 C ATOM 991 O LYS A 72 14.397 3.654 -20.923 1.00 0.00 O ATOM 992 CB LYS A 72 13.414 5.987 -19.302 1.00 0.00 C ATOM 993 CG LYS A 72 11.935 6.113 -19.624 1.00 0.00 C ATOM 994 CD LYS A 72 11.679 7.202 -20.653 1.00 0.00 C ATOM 995 CE LYS A 72 10.197 7.338 -20.964 1.00 0.00 C ATOM 996 NZ LYS A 72 9.525 8.305 -20.053 1.00 0.00 N ATOM 0 H LYS A 72 15.617 5.548 -18.294 1.00 0.00 H new ATOM 0 HA LYS A 72 13.132 4.311 -17.985 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.680 6.734 -18.554 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.993 6.212 -20.198 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.561 5.161 -20.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.381 6.335 -18.712 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.063 8.152 -20.282 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.225 6.974 -21.569 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.071 7.664 -21.996 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.717 6.363 -20.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.494 8.186 -20.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.831 8.130 -19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.780 9.275 -20.327 1.00 0.00 H new ATOM 1010 N PRO A 73 12.807 2.595 -19.730 1.00 0.00 N ATOM 1011 CA PRO A 73 12.583 1.537 -20.721 1.00 0.00 C ATOM 1012 C PRO A 73 11.903 2.059 -21.982 1.00 0.00 C ATOM 1013 O PRO A 73 12.021 1.464 -23.053 1.00 0.00 O ATOM 1014 CB PRO A 73 11.667 0.553 -19.988 1.00 0.00 C ATOM 1015 CG PRO A 73 10.965 1.379 -18.966 1.00 0.00 C ATOM 1016 CD PRO A 73 11.944 2.441 -18.547 1.00 0.00 C ATOM 0 HA PRO A 73 13.518 1.095 -21.064 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.960 0.085 -20.673 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.239 -0.250 -19.523 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.060 1.824 -19.379 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.661 0.771 -18.114 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.441 3.374 -18.293 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.515 2.137 -17.670 1.00 0.00 H new ATOM 1024 N ARG A 74 11.192 3.174 -21.848 1.00 0.00 N ATOM 1025 CA ARG A 74 10.494 3.774 -22.978 1.00 0.00 C ATOM 1026 C ARG A 74 9.996 2.702 -23.942 1.00 0.00 C ATOM 1027 O ARG A 74 9.929 2.922 -25.151 1.00 0.00 O ATOM 1028 CB ARG A 74 11.414 4.750 -23.714 1.00 0.00 C ATOM 1029 CG ARG A 74 12.806 4.196 -23.973 1.00 0.00 C ATOM 1030 CD ARG A 74 12.848 3.369 -25.248 1.00 0.00 C ATOM 1031 NE ARG A 74 12.599 4.182 -26.436 1.00 0.00 N ATOM 1032 CZ ARG A 74 13.549 4.843 -27.086 1.00 0.00 C ATOM 1033 NH1 ARG A 74 14.806 4.789 -26.667 1.00 0.00 N ATOM 1034 NH2 ARG A 74 13.244 5.561 -28.160 1.00 0.00 N ATOM 0 H ARG A 74 11.084 3.680 -20.969 1.00 0.00 H new ATOM 0 HA ARG A 74 9.632 4.319 -22.592 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.957 5.020 -24.666 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.500 5.666 -23.130 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.518 5.018 -24.048 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.117 3.581 -23.129 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.822 2.887 -25.336 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.104 2.575 -25.190 1.00 0.00 H new ATOM 0 HE ARG A 74 11.643 4.245 -26.785 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.046 4.238 -25.843 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.533 5.298 -27.169 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.279 5.605 -28.487 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.975 6.069 -28.659 1.00 0.00 H new ATOM 1048 N GLY A 75 9.648 1.539 -23.398 1.00 0.00 N ATOM 1049 CA GLY A 75 9.162 0.449 -24.224 1.00 0.00 C ATOM 1050 C GLY A 75 7.816 -0.072 -23.762 1.00 0.00 C ATOM 1051 O GLY A 75 6.783 0.553 -24.003 1.00 0.00 O ATOM 0 H GLY A 75 9.694 1.333 -22.400 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.082 0.788 -25.257 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.887 -0.365 -24.210 1.00 0.00 H new ATOM 1055 N LYS A 76 7.825 -1.223 -23.098 1.00 0.00 N ATOM 1056 CA LYS A 76 6.596 -1.830 -22.601 1.00 0.00 C ATOM 1057 C LYS A 76 6.723 -2.183 -21.123 1.00 0.00 C ATOM 1058 O LYS A 76 6.694 -3.356 -20.751 1.00 0.00 O ATOM 1059 CB LYS A 76 6.260 -3.085 -23.409 1.00 0.00 C ATOM 1060 CG LYS A 76 5.566 -2.791 -24.728 1.00 0.00 C ATOM 1061 CD LYS A 76 4.063 -2.652 -24.548 1.00 0.00 C ATOM 1062 CE LYS A 76 3.404 -4.001 -24.301 1.00 0.00 C ATOM 1063 NZ LYS A 76 3.390 -4.844 -25.528 1.00 0.00 N ATOM 0 H LYS A 76 8.671 -1.755 -22.892 1.00 0.00 H new ATOM 0 HA LYS A 76 5.790 -1.105 -22.715 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.179 -3.637 -23.607 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.622 -3.733 -22.809 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.969 -1.873 -25.155 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.776 -3.592 -25.437 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.856 -1.986 -23.710 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.630 -2.192 -25.436 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.936 -4.525 -23.507 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.382 -3.848 -23.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.749 -5.651 -25.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.061 -4.277 -26.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.350 -5.194 -25.720 1.00 0.00 H new ATOM 1077 N TRP A 77 6.862 -1.162 -20.285 1.00 0.00 N ATOM 1078 CA TRP A 77 6.992 -1.366 -18.847 1.00 0.00 C ATOM 1079 C TRP A 77 5.643 -1.215 -18.152 1.00 0.00 C ATOM 1080 O TRP A 77 5.040 -0.142 -18.171 1.00 0.00 O ATOM 1081 CB TRP A 77 7.996 -0.373 -18.259 1.00 0.00 C ATOM 1082 CG TRP A 77 8.350 -0.662 -16.831 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.426 -1.372 -16.381 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.624 -0.248 -15.668 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.413 -1.425 -15.008 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.319 -0.743 -14.546 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.457 0.492 -15.465 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 7.882 -0.520 -13.243 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.025 0.712 -14.171 1.00 0.00 C ATOM 1090 CH2 TRP A 77 6.736 0.209 -13.074 1.00 0.00 C ATOM 0 H TRP A 77 6.888 -0.185 -20.576 1.00 0.00 H new ATOM 0 HA TRP A 77 7.354 -2.380 -18.680 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.905 -0.386 -18.861 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.583 0.634 -18.327 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.177 -1.825 -17.011 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.106 -1.896 -14.427 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.902 0.885 -16.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.428 -0.908 -12.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.123 1.282 -14.003 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.373 0.400 -12.075 1.00 0.00 H new ATOM 1101 N PHE A 78 5.174 -2.297 -17.539 1.00 0.00 N ATOM 1102 CA PHE A 78 3.895 -2.284 -16.838 1.00 0.00 C ATOM 1103 C PHE A 78 4.101 -2.388 -15.329 1.00 0.00 C ATOM 1104 O PHE A 78 4.710 -3.339 -14.838 1.00 0.00 O ATOM 1105 CB PHE A 78 3.012 -3.435 -17.324 1.00 0.00 C ATOM 1106 CG PHE A 78 2.313 -3.147 -18.622 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.986 -3.268 -19.828 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.984 -2.756 -18.637 1.00 0.00 C ATOM 1109 CE1 PHE A 78 2.346 -3.004 -21.024 1.00 0.00 C ATOM 1110 CE2 PHE A 78 0.339 -2.491 -19.830 1.00 0.00 C ATOM 1111 CZ PHE A 78 1.021 -2.614 -21.025 1.00 0.00 C ATOM 0 H PHE A 78 5.660 -3.193 -17.513 1.00 0.00 H new ATOM 0 HA PHE A 78 3.399 -1.338 -17.055 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.625 -4.328 -17.441 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.267 -3.658 -16.561 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.022 -3.572 -19.833 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.446 -2.657 -17.706 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.881 -3.103 -21.957 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.698 -2.188 -19.828 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.519 -2.406 -21.958 1.00 0.00 H new ATOM 1121 N CYS A 79 3.588 -1.404 -14.599 1.00 0.00 N ATOM 1122 CA CYS A 79 3.714 -1.382 -13.147 1.00 0.00 C ATOM 1123 C CYS A 79 3.417 -2.756 -12.554 1.00 0.00 C ATOM 1124 O CYS A 79 2.693 -3.566 -13.133 1.00 0.00 O ATOM 1125 CB CYS A 79 2.768 -0.340 -12.547 1.00 0.00 C ATOM 1126 SG CYS A 79 1.009 -0.812 -12.607 1.00 0.00 S ATOM 0 H CYS A 79 3.080 -0.610 -14.990 1.00 0.00 H new ATOM 0 HA CYS A 79 4.742 -1.114 -12.901 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.051 -0.163 -11.509 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.899 0.603 -13.078 1.00 0.00 H new ATOM 0 HG CYS A 79 0.625 -0.899 -13.846 1.00 0.00 H new ATOM 1131 N PRO A 80 3.990 -3.027 -11.372 1.00 0.00 N ATOM 1132 CA PRO A 80 3.800 -4.302 -10.674 1.00 0.00 C ATOM 1133 C PRO A 80 2.383 -4.463 -10.136 1.00 0.00 C ATOM 1134 O PRO A 80 2.092 -5.407 -9.400 1.00 0.00 O ATOM 1135 CB PRO A 80 4.805 -4.228 -9.522 1.00 0.00 C ATOM 1136 CG PRO A 80 5.000 -2.771 -9.282 1.00 0.00 C ATOM 1137 CD PRO A 80 4.865 -2.108 -10.625 1.00 0.00 C ATOM 0 HA PRO A 80 3.951 -5.155 -11.335 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.424 -4.728 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.744 -4.715 -9.784 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.258 -2.388 -8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.980 -2.575 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.425 -1.114 -10.540 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.832 -1.988 -11.113 1.00 0.00 H new ATOM 1145 N ARG A 81 1.505 -3.538 -10.507 1.00 0.00 N ATOM 1146 CA ARG A 81 0.118 -3.577 -10.060 1.00 0.00 C ATOM 1147 C ARG A 81 -0.814 -3.949 -11.211 1.00 0.00 C ATOM 1148 O ARG A 81 -1.901 -4.486 -10.995 1.00 0.00 O ATOM 1149 CB ARG A 81 -0.291 -2.224 -9.476 1.00 0.00 C ATOM 1150 CG ARG A 81 0.312 -1.944 -8.109 1.00 0.00 C ATOM 1151 CD ARG A 81 -0.063 -0.558 -7.609 1.00 0.00 C ATOM 1152 NE ARG A 81 0.319 -0.358 -6.213 1.00 0.00 N ATOM 1153 CZ ARG A 81 -0.430 -0.741 -5.185 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -1.593 -1.341 -5.394 1.00 0.00 N ATOM 1155 NH2 ARG A 81 -0.015 -0.524 -3.943 1.00 0.00 N ATOM 0 H ARG A 81 1.729 -2.752 -11.117 1.00 0.00 H new ATOM 0 HA ARG A 81 0.034 -4.339 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.009 -1.435 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.378 -2.184 -9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.032 -2.694 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.397 -2.031 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.423 0.195 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.138 -0.413 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 81 1.209 0.100 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.916 -1.510 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.165 -1.634 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.880 -0.063 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.591 -0.818 -3.154 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.380 -3.659 -12.433 1.00 0.00 N ATOM 1170 CA CYS A 82 -1.174 -3.961 -13.618 1.00 0.00 C ATOM 1171 C CYS A 82 -0.831 -5.344 -14.164 1.00 0.00 C ATOM 1172 O CYS A 82 -1.719 -6.138 -14.474 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.941 -2.902 -14.697 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.658 -1.273 -14.307 1.00 0.00 S ATOM 0 H CYS A 82 0.517 -3.215 -12.629 1.00 0.00 H new ATOM 0 HA CYS A 82 -2.226 -3.953 -13.332 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.132 -2.787 -14.853 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.363 -3.257 -15.637 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.077 -0.785 -13.251 1.00 0.00 H new ATOM 1179 N SER A 83 0.463 -5.625 -14.280 1.00 0.00 N ATOM 1180 CA SER A 83 0.924 -6.910 -14.792 1.00 0.00 C ATOM 1181 C SER A 83 0.057 -8.048 -14.263 1.00 0.00 C ATOM 1182 O SER A 83 -0.384 -8.911 -15.022 1.00 0.00 O ATOM 1183 CB SER A 83 2.385 -7.143 -14.403 1.00 0.00 C ATOM 1184 OG SER A 83 2.836 -8.410 -14.851 1.00 0.00 O ATOM 0 H SER A 83 1.211 -4.980 -14.026 1.00 0.00 H new ATOM 0 HA SER A 83 0.844 -6.891 -15.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.008 -6.359 -14.832 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.491 -7.078 -13.320 1.00 0.00 H new ATOM 0 HG SER A 83 3.773 -8.534 -14.591 1.00 0.00 H new