USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 41 CYS SG : rot -115:sc= 1.47! USER MOD Set 1.2: A 44 CYS SG : rot 107:sc= -6.35! USER MOD Set 1.3: A 67 CYS SG : rot -178:sc= -9.23! USER MOD Single : A 1 SER N :NH3+ 153:sc= 0.0154 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 2 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.095) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 52:sc= 0.062 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.26) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -178:sc= 0 (180deg=-0.00616) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.0614 X(o=0.061,f=-0.33) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 170:sc= -0.761 (180deg=-1.47) USER MOD Single : A 59 CYS SG : rot 104:sc= -5.24! USER MOD Single : A 62 SER OG : rot -110:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 89:sc= -7.6! USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= -0.983 (180deg=-2.5!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -53.198 20.449 -83.682 1.00 21.25 N ATOM 2 CA SER A 1 -54.166 20.298 -82.571 1.00 72.21 C ATOM 3 C SER A 1 -53.596 19.323 -81.518 1.00 34.10 C ATOM 4 O SER A 1 -53.752 18.103 -81.637 1.00 65.44 O ATOM 5 CB SER A 1 -55.535 19.800 -83.119 1.00 30.35 C ATOM 6 OG SER A 1 -56.005 20.631 -84.169 1.00 34.45 O ATOM 0 H1 SER A 1 -53.707 20.697 -84.555 1.00 21.25 H new ATOM 0 H2 SER A 1 -52.519 21.202 -83.451 1.00 21.25 H new ATOM 0 H3 SER A 1 -52.687 19.554 -83.822 1.00 21.25 H new ATOM 0 HA SER A 1 -54.329 21.264 -82.093 1.00 72.21 H new ATOM 0 HB2 SER A 1 -55.434 18.777 -83.480 1.00 30.35 H new ATOM 0 HB3 SER A 1 -56.267 19.782 -82.312 1.00 30.35 H new ATOM 0 HG SER A 1 -56.865 20.292 -84.494 1.00 34.45 H new ATOM 14 N HIS A 2 -52.874 19.871 -80.523 1.00 64.30 N ATOM 15 CA HIS A 2 -52.338 19.107 -79.379 1.00 61.13 C ATOM 16 C HIS A 2 -52.898 19.710 -78.082 1.00 5.30 C ATOM 17 O HIS A 2 -53.231 20.900 -78.035 1.00 55.45 O ATOM 18 CB HIS A 2 -50.781 19.118 -79.391 1.00 54.11 C ATOM 19 CG HIS A 2 -50.169 20.500 -79.329 1.00 52.31 C ATOM 20 ND1 HIS A 2 -50.033 21.273 -80.459 1.00 52.32 N ATOM 21 CD2 HIS A 2 -49.704 21.204 -78.264 1.00 50.43 C ATOM 22 CE1 HIS A 2 -49.496 22.413 -80.057 1.00 33.43 C ATOM 23 NE2 HIS A 2 -49.280 22.417 -78.735 1.00 54.22 N ATOM 0 H HIS A 2 -52.644 20.864 -80.489 1.00 64.30 H new ATOM 0 HA HIS A 2 -52.648 18.064 -79.449 1.00 61.13 H new ATOM 0 HB2 HIS A 2 -50.418 18.534 -78.545 1.00 54.11 H new ATOM 0 HB3 HIS A 2 -50.432 18.619 -80.295 1.00 54.11 H new ATOM 0 HD2 HIS A 2 -49.674 20.869 -77.238 1.00 50.43 H new ATOM 0 HE1 HIS A 2 -49.261 23.238 -80.713 1.00 33.43 H new ATOM 0 HE2 HIS A 2 -48.878 23.177 -78.186 1.00 54.22 H new ATOM 31 N MET A 3 -53.020 18.878 -77.041 1.00 60.23 N ATOM 32 CA MET A 3 -53.543 19.290 -75.722 1.00 64.12 C ATOM 33 C MET A 3 -52.413 19.163 -74.682 1.00 74.13 C ATOM 34 O MET A 3 -52.404 18.251 -73.843 1.00 23.43 O ATOM 35 CB MET A 3 -54.796 18.429 -75.354 1.00 54.31 C ATOM 36 CG MET A 3 -55.978 18.570 -76.332 1.00 43.34 C ATOM 37 SD MET A 3 -57.295 17.381 -75.987 1.00 61.34 S ATOM 38 CE MET A 3 -58.455 17.717 -77.315 1.00 44.32 C ATOM 0 H MET A 3 -52.759 17.893 -77.085 1.00 60.23 H new ATOM 0 HA MET A 3 -53.869 20.330 -75.742 1.00 64.12 H new ATOM 0 HB2 MET A 3 -54.500 17.381 -75.310 1.00 54.31 H new ATOM 0 HB3 MET A 3 -55.132 18.708 -74.355 1.00 54.31 H new ATOM 0 HG2 MET A 3 -56.379 19.582 -76.271 1.00 43.34 H new ATOM 0 HG3 MET A 3 -55.622 18.429 -77.352 1.00 43.34 H new ATOM 0 HE1 MET A 3 -59.315 17.054 -77.223 1.00 44.32 H new ATOM 0 HE2 MET A 3 -58.788 18.753 -77.254 1.00 44.32 H new ATOM 0 HE3 MET A 3 -57.968 17.548 -78.275 1.00 44.32 H new ATOM 48 N SER A 4 -51.428 20.078 -74.796 1.00 42.41 N ATOM 49 CA SER A 4 -50.253 20.121 -73.914 1.00 1.51 C ATOM 50 C SER A 4 -50.670 20.588 -72.500 1.00 61.12 C ATOM 51 O SER A 4 -50.815 21.797 -72.236 1.00 1.22 O ATOM 52 CB SER A 4 -49.173 21.055 -74.516 1.00 71.22 C ATOM 53 OG SER A 4 -48.016 21.114 -73.698 1.00 62.13 O ATOM 0 H SER A 4 -51.430 20.809 -75.507 1.00 42.41 H new ATOM 0 HA SER A 4 -49.828 19.121 -73.829 1.00 1.51 H new ATOM 0 HB2 SER A 4 -48.899 20.701 -75.510 1.00 71.22 H new ATOM 0 HB3 SER A 4 -49.585 22.057 -74.637 1.00 71.22 H new ATOM 0 HG SER A 4 -47.355 21.710 -74.108 1.00 62.13 H new ATOM 59 N GLY A 5 -50.925 19.601 -71.628 1.00 25.30 N ATOM 60 CA GLY A 5 -51.321 19.834 -70.237 1.00 51.05 C ATOM 61 C GLY A 5 -52.087 18.647 -69.674 1.00 5.22 C ATOM 62 O GLY A 5 -51.902 17.510 -70.132 1.00 1.11 O ATOM 0 H GLY A 5 -50.861 18.613 -71.873 1.00 25.30 H new ATOM 0 HA2 GLY A 5 -50.434 20.018 -69.630 1.00 51.05 H new ATOM 0 HA3 GLY A 5 -51.939 20.730 -70.178 1.00 51.05 H new ATOM 66 N GLY A 6 -52.944 18.908 -68.673 1.00 62.24 N ATOM 67 CA GLY A 6 -53.756 17.870 -68.026 1.00 0.25 C ATOM 68 C GLY A 6 -53.079 17.264 -66.799 1.00 65.33 C ATOM 69 O GLY A 6 -53.609 16.316 -66.207 1.00 43.22 O ATOM 0 H GLY A 6 -53.091 19.843 -68.292 1.00 62.24 H new ATOM 0 HA2 GLY A 6 -54.715 18.297 -67.732 1.00 0.25 H new ATOM 0 HA3 GLY A 6 -53.967 17.079 -68.746 1.00 0.25 H new ATOM 73 N SER A 7 -51.895 17.800 -66.425 1.00 25.31 N ATOM 74 CA SER A 7 -51.161 17.384 -65.223 1.00 61.55 C ATOM 75 C SER A 7 -51.811 18.033 -63.985 1.00 3.10 C ATOM 76 O SER A 7 -51.942 19.261 -63.942 1.00 14.42 O ATOM 77 CB SER A 7 -49.667 17.804 -65.340 1.00 63.23 C ATOM 78 OG SER A 7 -48.919 17.467 -64.180 1.00 25.02 O ATOM 0 H SER A 7 -51.426 18.535 -66.954 1.00 25.31 H new ATOM 0 HA SER A 7 -51.204 16.300 -65.122 1.00 61.55 H new ATOM 0 HB2 SER A 7 -49.223 17.319 -66.209 1.00 63.23 H new ATOM 0 HB3 SER A 7 -49.606 18.879 -65.509 1.00 63.23 H new ATOM 0 HG SER A 7 -47.987 17.747 -64.299 1.00 25.02 H new ATOM 84 N PRO A 8 -52.278 17.233 -62.976 1.00 53.01 N ATOM 85 CA PRO A 8 -52.815 17.782 -61.711 1.00 31.15 C ATOM 86 C PRO A 8 -51.675 18.146 -60.729 1.00 52.53 C ATOM 87 O PRO A 8 -51.646 17.656 -59.593 1.00 1.13 O ATOM 88 CB PRO A 8 -53.701 16.609 -61.208 1.00 61.24 C ATOM 89 CG PRO A 8 -52.993 15.368 -61.672 1.00 3.31 C ATOM 90 CD PRO A 8 -52.336 15.736 -62.994 1.00 4.11 C ATOM 0 HA PRO A 8 -53.369 18.715 -61.819 1.00 31.15 H new ATOM 0 HB2 PRO A 8 -53.800 16.625 -60.123 1.00 61.24 H new ATOM 0 HB3 PRO A 8 -54.708 16.668 -61.621 1.00 61.24 H new ATOM 0 HG2 PRO A 8 -52.250 15.046 -60.942 1.00 3.31 H new ATOM 0 HG3 PRO A 8 -53.693 14.543 -61.800 1.00 3.31 H new ATOM 0 HD2 PRO A 8 -51.340 15.301 -63.078 1.00 4.11 H new ATOM 0 HD3 PRO A 8 -52.916 15.371 -63.841 1.00 4.11 H new ATOM 98 N LEU A 9 -50.748 19.027 -61.190 1.00 42.45 N ATOM 99 CA LEU A 9 -49.513 19.367 -60.457 1.00 62.31 C ATOM 100 C LEU A 9 -49.813 20.129 -59.137 1.00 33.01 C ATOM 101 O LEU A 9 -49.792 21.367 -59.062 1.00 11.22 O ATOM 102 CB LEU A 9 -48.471 20.132 -61.355 1.00 14.03 C ATOM 103 CG LEU A 9 -48.853 21.552 -61.942 1.00 71.03 C ATOM 104 CD1 LEU A 9 -47.597 22.321 -62.412 1.00 22.02 C ATOM 105 CD2 LEU A 9 -49.880 21.472 -63.098 1.00 4.54 C ATOM 0 H LEU A 9 -50.842 19.517 -62.080 1.00 42.45 H new ATOM 0 HA LEU A 9 -49.047 18.421 -60.181 1.00 62.31 H new ATOM 0 HB2 LEU A 9 -47.560 20.253 -60.769 1.00 14.03 H new ATOM 0 HB3 LEU A 9 -48.225 19.484 -62.197 1.00 14.03 H new ATOM 0 HG LEU A 9 -49.324 22.096 -61.123 1.00 71.03 H new ATOM 0 HD11 LEU A 9 -47.892 23.292 -62.810 1.00 22.02 H new ATOM 0 HD12 LEU A 9 -46.922 22.465 -61.569 1.00 22.02 H new ATOM 0 HD13 LEU A 9 -47.090 21.749 -63.189 1.00 22.02 H new ATOM 0 HD21 LEU A 9 -50.102 22.477 -63.458 1.00 4.54 H new ATOM 0 HD22 LEU A 9 -49.466 20.878 -63.912 1.00 4.54 H new ATOM 0 HD23 LEU A 9 -50.797 21.005 -62.738 1.00 4.54 H new ATOM 117 N ALA A 10 -50.132 19.347 -58.094 1.00 30.43 N ATOM 118 CA ALA A 10 -50.442 19.851 -56.749 1.00 10.24 C ATOM 119 C ALA A 10 -49.326 19.407 -55.798 1.00 23.43 C ATOM 120 O ALA A 10 -49.434 18.371 -55.134 1.00 3.53 O ATOM 121 CB ALA A 10 -51.830 19.348 -56.285 1.00 5.33 C ATOM 0 H ALA A 10 -50.182 18.331 -58.164 1.00 30.43 H new ATOM 0 HA ALA A 10 -50.490 20.940 -56.755 1.00 10.24 H new ATOM 0 HB1 ALA A 10 -52.041 19.732 -55.287 1.00 5.33 H new ATOM 0 HB2 ALA A 10 -52.595 19.699 -56.978 1.00 5.33 H new ATOM 0 HB3 ALA A 10 -51.833 18.258 -56.263 1.00 5.33 H new ATOM 127 N THR A 11 -48.223 20.166 -55.799 1.00 31.22 N ATOM 128 CA THR A 11 -47.044 19.883 -54.964 1.00 33.21 C ATOM 129 C THR A 11 -47.062 20.802 -53.723 1.00 32.25 C ATOM 130 O THR A 11 -47.311 22.013 -53.834 1.00 3.04 O ATOM 131 CB THR A 11 -45.712 20.049 -55.782 1.00 1.41 C ATOM 132 OG1 THR A 11 -44.577 19.737 -54.959 1.00 62.51 O ATOM 133 CG2 THR A 11 -45.557 21.463 -56.374 1.00 72.44 C ATOM 0 H THR A 11 -48.121 20.998 -56.381 1.00 31.22 H new ATOM 0 HA THR A 11 -47.085 18.845 -54.634 1.00 33.21 H new ATOM 0 HB THR A 11 -45.763 19.349 -56.616 1.00 1.41 H new ATOM 0 HG1 THR A 11 -43.755 19.843 -55.482 1.00 62.51 H new ATOM 0 HG21 THR A 11 -44.621 21.524 -56.929 1.00 72.44 H new ATOM 0 HG22 THR A 11 -46.391 21.670 -57.045 1.00 72.44 H new ATOM 0 HG23 THR A 11 -45.549 22.196 -55.568 1.00 72.44 H new ATOM 141 N GLY A 12 -46.848 20.195 -52.544 1.00 72.02 N ATOM 142 CA GLY A 12 -46.848 20.906 -51.268 1.00 20.31 C ATOM 143 C GLY A 12 -47.107 19.963 -50.104 1.00 70.43 C ATOM 144 O GLY A 12 -48.106 20.113 -49.383 1.00 53.54 O ATOM 0 H GLY A 12 -46.670 19.194 -52.456 1.00 72.02 H new ATOM 0 HA2 GLY A 12 -45.888 21.404 -51.128 1.00 20.31 H new ATOM 0 HA3 GLY A 12 -47.611 21.684 -51.284 1.00 20.31 H new ATOM 148 N THR A 13 -46.214 18.961 -49.942 1.00 10.00 N ATOM 149 CA THR A 13 -46.240 18.031 -48.801 1.00 54.22 C ATOM 150 C THR A 13 -45.792 18.770 -47.511 1.00 53.40 C ATOM 151 O THR A 13 -44.599 18.824 -47.184 1.00 13.10 O ATOM 152 CB THR A 13 -45.351 16.751 -49.050 1.00 62.13 C ATOM 153 OG1 THR A 13 -44.056 17.123 -49.556 1.00 22.11 O ATOM 154 CG2 THR A 13 -46.011 15.764 -50.031 1.00 14.04 C ATOM 0 H THR A 13 -45.457 18.778 -50.601 1.00 10.00 H new ATOM 0 HA THR A 13 -47.265 17.681 -48.681 1.00 54.22 H new ATOM 0 HB THR A 13 -45.244 16.254 -48.086 1.00 62.13 H new ATOM 0 HG1 THR A 13 -43.660 17.803 -48.973 1.00 22.11 H new ATOM 0 HG21 THR A 13 -45.361 14.900 -50.170 1.00 14.04 H new ATOM 0 HG22 THR A 13 -46.969 15.436 -49.628 1.00 14.04 H new ATOM 0 HG23 THR A 13 -46.170 16.256 -50.990 1.00 14.04 H new ATOM 162 N THR A 14 -46.769 19.389 -46.824 1.00 44.34 N ATOM 163 CA THR A 14 -46.534 20.141 -45.583 1.00 24.11 C ATOM 164 C THR A 14 -46.365 19.163 -44.399 1.00 71.34 C ATOM 165 O THR A 14 -47.287 18.406 -44.072 1.00 62.04 O ATOM 166 CB THR A 14 -47.682 21.189 -45.319 1.00 62.45 C ATOM 167 OG1 THR A 14 -47.510 21.826 -44.044 1.00 3.21 O ATOM 168 CG2 THR A 14 -49.103 20.587 -45.409 1.00 33.44 C ATOM 0 H THR A 14 -47.746 19.380 -47.117 1.00 44.34 H new ATOM 0 HA THR A 14 -45.611 20.710 -45.689 1.00 24.11 H new ATOM 0 HB THR A 14 -47.596 21.925 -46.118 1.00 62.45 H new ATOM 0 HG1 THR A 14 -48.232 22.473 -43.902 1.00 3.21 H new ATOM 0 HG21 THR A 14 -49.841 21.366 -45.216 1.00 33.44 H new ATOM 0 HG22 THR A 14 -49.261 20.176 -46.406 1.00 33.44 H new ATOM 0 HG23 THR A 14 -49.210 19.794 -44.668 1.00 33.44 H new ATOM 176 N ALA A 15 -45.159 19.162 -43.806 1.00 41.15 N ATOM 177 CA ALA A 15 -44.793 18.267 -42.700 1.00 40.41 C ATOM 178 C ALA A 15 -43.521 18.764 -41.999 1.00 54.11 C ATOM 179 O ALA A 15 -42.716 19.491 -42.602 1.00 62.54 O ATOM 180 CB ALA A 15 -44.588 16.833 -43.226 1.00 45.24 C ATOM 0 H ALA A 15 -44.405 19.789 -44.085 1.00 41.15 H new ATOM 0 HA ALA A 15 -45.605 18.264 -41.973 1.00 40.41 H new ATOM 0 HB1 ALA A 15 -44.317 16.177 -42.399 1.00 45.24 H new ATOM 0 HB2 ALA A 15 -45.511 16.478 -43.683 1.00 45.24 H new ATOM 0 HB3 ALA A 15 -43.790 16.828 -43.969 1.00 45.24 H new ATOM 186 N ASN A 16 -43.370 18.369 -40.719 1.00 14.52 N ATOM 187 CA ASN A 16 -42.118 18.523 -39.948 1.00 3.42 C ATOM 188 C ASN A 16 -42.102 17.535 -38.768 1.00 42.41 C ATOM 189 O ASN A 16 -43.162 17.156 -38.242 1.00 50.14 O ATOM 190 CB ASN A 16 -41.885 19.994 -39.455 1.00 5.32 C ATOM 191 CG ASN A 16 -42.955 20.577 -38.501 1.00 55.34 C ATOM 192 OD1 ASN A 16 -43.582 19.874 -37.705 1.00 21.24 O ATOM 193 ND2 ASN A 16 -43.159 21.892 -38.556 1.00 53.21 N ATOM 0 H ASN A 16 -44.120 17.930 -40.186 1.00 14.52 H new ATOM 0 HA ASN A 16 -41.291 18.293 -40.620 1.00 3.42 H new ATOM 0 HB2 ASN A 16 -40.919 20.037 -38.952 1.00 5.32 H new ATOM 0 HB3 ASN A 16 -41.818 20.641 -40.330 1.00 5.32 H new ATOM 0 HD21 ASN A 16 -43.840 22.329 -37.935 1.00 53.21 H new ATOM 0 HD22 ASN A 16 -42.634 22.462 -39.219 1.00 53.21 H new ATOM 200 N THR A 17 -40.890 17.091 -38.389 1.00 42.42 N ATOM 201 CA THR A 17 -40.668 16.297 -37.180 1.00 52.54 C ATOM 202 C THR A 17 -40.353 17.274 -36.022 1.00 62.55 C ATOM 203 O THR A 17 -39.469 18.141 -36.148 1.00 4.21 O ATOM 204 CB THR A 17 -39.523 15.236 -37.386 1.00 11.22 C ATOM 205 OG1 THR A 17 -39.371 14.452 -36.194 1.00 14.02 O ATOM 206 CG2 THR A 17 -38.164 15.859 -37.766 1.00 3.33 C ATOM 0 H THR A 17 -40.038 17.277 -38.918 1.00 42.42 H new ATOM 0 HA THR A 17 -41.563 15.723 -36.940 1.00 52.54 H new ATOM 0 HB THR A 17 -39.828 14.612 -38.226 1.00 11.22 H new ATOM 0 HG1 THR A 17 -38.659 13.791 -36.325 1.00 14.02 H new ATOM 0 HG21 THR A 17 -37.424 15.069 -37.892 1.00 3.33 H new ATOM 0 HG22 THR A 17 -38.266 16.413 -38.699 1.00 3.33 H new ATOM 0 HG23 THR A 17 -37.841 16.537 -36.976 1.00 3.33 H new ATOM 214 N ARG A 18 -41.117 17.179 -34.924 1.00 12.04 N ATOM 215 CA ARG A 18 -41.039 18.141 -33.812 1.00 44.12 C ATOM 216 C ARG A 18 -41.410 17.479 -32.478 1.00 43.03 C ATOM 217 O ARG A 18 -42.133 16.476 -32.444 1.00 25.12 O ATOM 218 CB ARG A 18 -41.953 19.369 -34.088 1.00 33.35 C ATOM 219 CG ARG A 18 -43.463 19.047 -34.237 1.00 70.45 C ATOM 220 CD ARG A 18 -44.319 20.300 -34.469 1.00 52.42 C ATOM 221 NE ARG A 18 -44.154 21.284 -33.392 1.00 54.41 N ATOM 222 CZ ARG A 18 -44.984 22.298 -33.136 1.00 24.42 C ATOM 223 NH1 ARG A 18 -46.072 22.504 -33.875 1.00 55.44 N ATOM 224 NH2 ARG A 18 -44.721 23.107 -32.122 1.00 24.21 N ATOM 0 H ARG A 18 -41.803 16.438 -34.781 1.00 12.04 H new ATOM 0 HA ARG A 18 -40.008 18.486 -33.738 1.00 44.12 H new ATOM 0 HB2 ARG A 18 -41.829 20.084 -33.275 1.00 33.35 H new ATOM 0 HB3 ARG A 18 -41.611 19.859 -34.999 1.00 33.35 H new ATOM 0 HG2 ARG A 18 -43.602 18.358 -35.070 1.00 70.45 H new ATOM 0 HG3 ARG A 18 -43.811 18.536 -33.339 1.00 70.45 H new ATOM 0 HD2 ARG A 18 -44.046 20.755 -35.421 1.00 52.42 H new ATOM 0 HD3 ARG A 18 -45.368 20.014 -34.542 1.00 52.42 H new ATOM 0 HE ARG A 18 -43.337 21.185 -32.789 1.00 54.41 H new ATOM 0 HH11 ARG A 18 -46.285 21.881 -34.654 1.00 55.44 H new ATOM 0 HH12 ARG A 18 -46.693 23.285 -33.662 1.00 55.44 H new ATOM 0 HH21 ARG A 18 -43.893 22.952 -31.547 1.00 24.21 H new ATOM 0 HH22 ARG A 18 -45.347 23.886 -31.915 1.00 24.21 H new ATOM 238 N GLY A 19 -40.877 18.051 -31.395 1.00 34.21 N ATOM 239 CA GLY A 19 -41.109 17.580 -30.034 1.00 25.51 C ATOM 240 C GLY A 19 -39.904 17.867 -29.150 1.00 34.32 C ATOM 241 O GLY A 19 -38.806 18.132 -29.663 1.00 12.51 O ATOM 0 H GLY A 19 -40.264 18.865 -31.443 1.00 34.21 H new ATOM 0 HA2 GLY A 19 -41.993 18.067 -29.621 1.00 25.51 H new ATOM 0 HA3 GLY A 19 -41.311 16.509 -30.045 1.00 25.51 H new ATOM 245 N ALA A 20 -40.109 17.820 -27.825 1.00 31.31 N ATOM 246 CA ALA A 20 -39.035 18.002 -26.837 1.00 64.40 C ATOM 247 C ALA A 20 -38.096 16.784 -26.866 1.00 71.14 C ATOM 248 O ALA A 20 -38.411 15.727 -26.295 1.00 32.51 O ATOM 249 CB ALA A 20 -39.618 18.222 -25.429 1.00 74.13 C ATOM 0 H ALA A 20 -41.025 17.655 -27.408 1.00 31.31 H new ATOM 0 HA ALA A 20 -38.461 18.892 -27.095 1.00 64.40 H new ATOM 0 HB1 ALA A 20 -38.805 18.354 -24.715 1.00 74.13 H new ATOM 0 HB2 ALA A 20 -40.248 19.112 -25.431 1.00 74.13 H new ATOM 0 HB3 ALA A 20 -40.215 17.356 -25.143 1.00 74.13 H new ATOM 255 N SER A 21 -36.975 16.925 -27.584 1.00 33.43 N ATOM 256 CA SER A 21 -35.977 15.865 -27.741 1.00 61.12 C ATOM 257 C SER A 21 -35.080 15.803 -26.490 1.00 73.24 C ATOM 258 O SER A 21 -33.936 16.290 -26.493 1.00 40.11 O ATOM 259 CB SER A 21 -35.170 16.114 -29.044 1.00 13.50 C ATOM 260 OG SER A 21 -36.036 16.299 -30.165 1.00 72.54 O ATOM 0 H SER A 21 -36.735 17.786 -28.076 1.00 33.43 H new ATOM 0 HA SER A 21 -36.461 14.893 -27.833 1.00 61.12 H new ATOM 0 HB2 SER A 21 -34.539 16.994 -28.921 1.00 13.50 H new ATOM 0 HB3 SER A 21 -34.507 15.269 -29.230 1.00 13.50 H new ATOM 0 HG SER A 21 -35.500 16.455 -30.970 1.00 72.54 H new ATOM 266 N GLN A 22 -35.647 15.242 -25.393 1.00 44.24 N ATOM 267 CA GLN A 22 -34.947 15.085 -24.114 1.00 51.24 C ATOM 268 C GLN A 22 -33.856 14.016 -24.305 1.00 10.42 C ATOM 269 O GLN A 22 -34.172 12.861 -24.625 1.00 33.04 O ATOM 270 CB GLN A 22 -35.947 14.680 -22.966 1.00 21.52 C ATOM 271 CG GLN A 22 -35.497 15.020 -21.509 1.00 12.31 C ATOM 272 CD GLN A 22 -34.103 14.510 -21.113 1.00 72.34 C ATOM 273 OE1 GLN A 22 -33.101 15.226 -21.226 1.00 12.11 O ATOM 274 NE2 GLN A 22 -34.015 13.264 -20.677 1.00 12.41 N ATOM 0 H GLN A 22 -36.604 14.889 -25.381 1.00 44.24 H new ATOM 0 HA GLN A 22 -34.495 16.031 -23.814 1.00 51.24 H new ATOM 0 HB2 GLN A 22 -36.902 15.172 -23.154 1.00 21.52 H new ATOM 0 HB3 GLN A 22 -36.124 13.606 -23.028 1.00 21.52 H new ATOM 0 HG2 GLN A 22 -35.518 16.103 -21.384 1.00 12.31 H new ATOM 0 HG3 GLN A 22 -36.228 14.605 -20.815 1.00 12.31 H new ATOM 0 HE21 GLN A 22 -34.856 12.693 -20.592 1.00 12.41 H new ATOM 0 HE22 GLN A 22 -33.106 12.875 -20.426 1.00 12.41 H new ATOM 283 N LYS A 23 -32.586 14.432 -24.134 1.00 52.02 N ATOM 284 CA LYS A 23 -31.410 13.559 -24.286 1.00 40.31 C ATOM 285 C LYS A 23 -31.509 12.357 -23.311 1.00 1.15 C ATOM 286 O LYS A 23 -31.347 12.500 -22.089 1.00 72.52 O ATOM 287 CB LYS A 23 -30.099 14.386 -24.078 1.00 14.12 C ATOM 288 CG LYS A 23 -30.037 15.192 -22.755 1.00 60.23 C ATOM 289 CD LYS A 23 -28.703 15.940 -22.556 1.00 70.31 C ATOM 290 CE LYS A 23 -28.650 16.704 -21.221 1.00 2.40 C ATOM 291 NZ LYS A 23 -27.367 17.433 -21.049 1.00 74.32 N ATOM 0 H LYS A 23 -32.348 15.392 -23.884 1.00 52.02 H new ATOM 0 HA LYS A 23 -31.382 13.154 -25.297 1.00 40.31 H new ATOM 0 HB2 LYS A 23 -29.248 13.705 -24.112 1.00 14.12 H new ATOM 0 HB3 LYS A 23 -29.987 15.078 -24.913 1.00 14.12 H new ATOM 0 HG2 LYS A 23 -30.855 15.912 -22.738 1.00 60.23 H new ATOM 0 HG3 LYS A 23 -30.193 14.513 -21.917 1.00 60.23 H new ATOM 0 HD2 LYS A 23 -27.880 15.226 -22.595 1.00 70.31 H new ATOM 0 HD3 LYS A 23 -28.557 16.641 -23.378 1.00 70.31 H new ATOM 0 HE2 LYS A 23 -29.478 17.411 -21.175 1.00 2.40 H new ATOM 0 HE3 LYS A 23 -28.783 16.003 -20.397 1.00 2.40 H new ATOM 0 HZ1 LYS A 23 -27.372 17.934 -20.138 1.00 74.32 H new ATOM 0 HZ2 LYS A 23 -26.578 16.756 -21.067 1.00 74.32 H new ATOM 0 HZ3 LYS A 23 -27.252 18.120 -21.821 1.00 74.32 H new ATOM 305 N LYS A 24 -31.880 11.191 -23.875 1.00 14.22 N ATOM 306 CA LYS A 24 -32.003 9.922 -23.135 1.00 33.32 C ATOM 307 C LYS A 24 -30.610 9.446 -22.678 1.00 64.22 C ATOM 308 O LYS A 24 -29.635 9.569 -23.432 1.00 4.41 O ATOM 309 CB LYS A 24 -32.715 8.851 -24.018 1.00 13.51 C ATOM 310 CG LYS A 24 -32.066 8.603 -25.412 1.00 73.34 C ATOM 311 CD LYS A 24 -32.908 7.666 -26.319 1.00 53.13 C ATOM 312 CE LYS A 24 -34.320 8.216 -26.599 1.00 74.34 C ATOM 313 NZ LYS A 24 -35.094 7.348 -27.525 1.00 14.13 N ATOM 0 H LYS A 24 -32.105 11.104 -24.866 1.00 14.22 H new ATOM 0 HA LYS A 24 -32.615 10.077 -22.246 1.00 33.32 H new ATOM 0 HB2 LYS A 24 -32.735 7.908 -23.472 1.00 13.51 H new ATOM 0 HB3 LYS A 24 -33.751 9.156 -24.166 1.00 13.51 H new ATOM 0 HG2 LYS A 24 -31.928 9.559 -25.917 1.00 73.34 H new ATOM 0 HG3 LYS A 24 -31.075 8.170 -25.273 1.00 73.34 H new ATOM 0 HD2 LYS A 24 -32.386 7.519 -27.265 1.00 53.13 H new ATOM 0 HD3 LYS A 24 -32.991 6.688 -25.845 1.00 53.13 H new ATOM 0 HE2 LYS A 24 -34.862 8.313 -25.658 1.00 74.34 H new ATOM 0 HE3 LYS A 24 -34.239 9.216 -27.025 1.00 74.34 H new ATOM 0 HZ1 LYS A 24 -36.036 7.760 -27.682 1.00 14.13 H new ATOM 0 HZ2 LYS A 24 -34.592 7.275 -28.433 1.00 14.13 H new ATOM 0 HZ3 LYS A 24 -35.196 6.400 -27.109 1.00 14.13 H new ATOM 327 N GLY A 25 -30.526 8.936 -21.433 1.00 53.34 N ATOM 328 CA GLY A 25 -29.259 8.521 -20.824 1.00 64.23 C ATOM 329 C GLY A 25 -28.428 9.708 -20.314 1.00 51.45 C ATOM 330 O GLY A 25 -28.174 10.662 -21.057 1.00 72.12 O ATOM 0 H GLY A 25 -31.336 8.803 -20.828 1.00 53.34 H new ATOM 0 HA2 GLY A 25 -29.464 7.844 -19.995 1.00 64.23 H new ATOM 0 HA3 GLY A 25 -28.675 7.962 -21.555 1.00 64.23 H new ATOM 334 N GLY A 26 -28.015 9.655 -19.043 1.00 70.20 N ATOM 335 CA GLY A 26 -27.175 10.693 -18.446 1.00 31.34 C ATOM 336 C GLY A 26 -26.503 10.170 -17.187 1.00 53.24 C ATOM 337 O GLY A 26 -25.461 9.517 -17.281 1.00 42.14 O ATOM 0 H GLY A 26 -28.253 8.896 -18.405 1.00 70.20 H new ATOM 0 HA2 GLY A 26 -26.419 11.015 -19.162 1.00 31.34 H new ATOM 0 HA3 GLY A 26 -27.781 11.567 -18.207 1.00 31.34 H new ATOM 341 N GLU A 27 -27.130 10.443 -16.015 1.00 11.42 N ATOM 342 CA GLU A 27 -26.771 9.852 -14.693 1.00 51.34 C ATOM 343 C GLU A 27 -25.333 10.232 -14.203 1.00 64.14 C ATOM 344 O GLU A 27 -24.342 9.929 -14.878 1.00 52.14 O ATOM 345 CB GLU A 27 -26.982 8.303 -14.712 1.00 34.43 C ATOM 346 CG GLU A 27 -28.442 7.883 -15.026 1.00 63.42 C ATOM 347 CD GLU A 27 -28.646 6.365 -15.144 1.00 12.42 C ATOM 348 OE1 GLU A 27 -28.203 5.784 -16.153 1.00 50.14 O ATOM 349 OE2 GLU A 27 -29.264 5.744 -14.248 1.00 62.21 O ATOM 0 H GLU A 27 -27.915 11.092 -15.957 1.00 11.42 H new ATOM 0 HA GLU A 27 -27.449 10.292 -13.962 1.00 51.34 H new ATOM 0 HB2 GLU A 27 -26.317 7.863 -15.455 1.00 34.43 H new ATOM 0 HB3 GLU A 27 -26.694 7.893 -13.744 1.00 34.43 H new ATOM 0 HG2 GLU A 27 -29.096 8.267 -14.243 1.00 63.42 H new ATOM 0 HG3 GLU A 27 -28.752 8.354 -15.959 1.00 63.42 H new ATOM 356 N PRO A 28 -25.201 10.900 -13.001 1.00 34.10 N ATOM 357 CA PRO A 28 -23.883 11.306 -12.427 1.00 62.32 C ATOM 358 C PRO A 28 -22.975 10.078 -12.114 1.00 75.03 C ATOM 359 O PRO A 28 -23.475 9.064 -11.620 1.00 73.10 O ATOM 360 CB PRO A 28 -24.274 12.078 -11.129 1.00 54.15 C ATOM 361 CG PRO A 28 -25.654 11.595 -10.792 1.00 12.12 C ATOM 362 CD PRO A 28 -26.322 11.320 -12.120 1.00 30.05 C ATOM 0 HA PRO A 28 -23.295 11.909 -13.119 1.00 62.32 H new ATOM 0 HB2 PRO A 28 -23.574 11.870 -10.320 1.00 54.15 H new ATOM 0 HB3 PRO A 28 -24.262 13.156 -11.292 1.00 54.15 H new ATOM 0 HG2 PRO A 28 -25.616 10.695 -10.178 1.00 12.12 H new ATOM 0 HG3 PRO A 28 -26.204 12.345 -10.224 1.00 12.12 H new ATOM 0 HD2 PRO A 28 -27.077 10.539 -12.034 1.00 30.05 H new ATOM 0 HD3 PRO A 28 -26.824 12.207 -12.507 1.00 30.05 H new ATOM 370 N PRO A 29 -21.629 10.155 -12.410 1.00 4.14 N ATOM 371 CA PRO A 29 -20.679 9.032 -12.166 1.00 23.44 C ATOM 372 C PRO A 29 -20.602 8.651 -10.663 1.00 63.12 C ATOM 373 O PRO A 29 -20.068 9.418 -9.845 1.00 21.24 O ATOM 374 CB PRO A 29 -19.323 9.578 -12.703 1.00 32.14 C ATOM 375 CG PRO A 29 -19.473 11.070 -12.704 1.00 23.20 C ATOM 376 CD PRO A 29 -20.932 11.338 -13.001 1.00 52.21 C ATOM 0 HA PRO A 29 -20.983 8.109 -12.660 1.00 23.44 H new ATOM 0 HB2 PRO A 29 -18.494 9.266 -12.068 1.00 32.14 H new ATOM 0 HB3 PRO A 29 -19.116 9.202 -13.705 1.00 32.14 H new ATOM 0 HG2 PRO A 29 -19.186 11.492 -11.741 1.00 23.20 H new ATOM 0 HG3 PRO A 29 -18.830 11.527 -13.457 1.00 23.20 H new ATOM 0 HD2 PRO A 29 -21.269 12.271 -12.549 1.00 52.21 H new ATOM 0 HD3 PRO A 29 -21.116 11.419 -14.072 1.00 52.21 H new ATOM 384 N ALA A 30 -21.198 7.477 -10.336 1.00 22.14 N ATOM 385 CA ALA A 30 -21.315 6.927 -8.966 1.00 73.55 C ATOM 386 C ALA A 30 -22.196 7.825 -8.067 1.00 72.33 C ATOM 387 O ALA A 30 -22.867 8.744 -8.549 1.00 62.50 O ATOM 388 CB ALA A 30 -19.921 6.657 -8.345 1.00 73.32 C ATOM 0 H ALA A 30 -21.622 6.872 -11.039 1.00 22.14 H new ATOM 0 HA ALA A 30 -21.821 5.964 -9.037 1.00 73.55 H new ATOM 0 HB1 ALA A 30 -20.042 6.254 -7.340 1.00 73.32 H new ATOM 0 HB2 ALA A 30 -19.381 5.938 -8.961 1.00 73.32 H new ATOM 0 HB3 ALA A 30 -19.358 7.589 -8.297 1.00 73.32 H new ATOM 394 N LEU A 31 -22.225 7.520 -6.762 1.00 52.12 N ATOM 395 CA LEU A 31 -22.984 8.303 -5.757 1.00 32.31 C ATOM 396 C LEU A 31 -22.083 9.351 -5.059 1.00 23.43 C ATOM 397 O LEU A 31 -22.522 10.008 -4.107 1.00 14.44 O ATOM 398 CB LEU A 31 -23.639 7.353 -4.698 1.00 4.41 C ATOM 399 CG LEU A 31 -22.684 6.636 -3.658 1.00 63.41 C ATOM 400 CD1 LEU A 31 -23.488 5.996 -2.502 1.00 34.24 C ATOM 401 CD2 LEU A 31 -21.771 5.571 -4.315 1.00 11.42 C ATOM 0 H LEU A 31 -21.725 6.724 -6.366 1.00 52.12 H new ATOM 0 HA LEU A 31 -23.774 8.839 -6.283 1.00 32.31 H new ATOM 0 HB2 LEU A 31 -24.371 7.933 -4.136 1.00 4.41 H new ATOM 0 HB3 LEU A 31 -24.189 6.580 -5.236 1.00 4.41 H new ATOM 0 HG LEU A 31 -22.040 7.418 -3.256 1.00 63.41 H new ATOM 0 HD11 LEU A 31 -22.802 5.512 -1.806 1.00 34.24 H new ATOM 0 HD12 LEU A 31 -24.051 6.769 -1.979 1.00 34.24 H new ATOM 0 HD13 LEU A 31 -24.178 5.255 -2.905 1.00 34.24 H new ATOM 0 HD21 LEU A 31 -21.139 5.114 -3.554 1.00 11.42 H new ATOM 0 HD22 LEU A 31 -22.387 4.804 -4.785 1.00 11.42 H new ATOM 0 HD23 LEU A 31 -21.144 6.045 -5.070 1.00 11.42 H new ATOM 413 N ILE A 32 -20.851 9.532 -5.591 1.00 61.41 N ATOM 414 CA ILE A 32 -19.750 10.266 -4.933 1.00 14.42 C ATOM 415 C ILE A 32 -19.401 9.540 -3.615 1.00 34.24 C ATOM 416 O ILE A 32 -20.024 9.766 -2.568 1.00 23.41 O ATOM 417 CB ILE A 32 -20.008 11.834 -4.725 1.00 0.23 C ATOM 418 CG1 ILE A 32 -20.012 12.618 -6.098 1.00 4.13 C ATOM 419 CG2 ILE A 32 -18.961 12.467 -3.749 1.00 21.04 C ATOM 420 CD1 ILE A 32 -21.142 12.286 -7.065 1.00 64.42 C ATOM 0 H ILE A 32 -20.592 9.164 -6.507 1.00 61.41 H new ATOM 0 HA ILE A 32 -18.895 10.251 -5.609 1.00 14.42 H new ATOM 0 HB ILE A 32 -20.997 11.927 -4.277 1.00 0.23 H new ATOM 0 HG12 ILE A 32 -20.050 13.686 -5.882 1.00 4.13 H new ATOM 0 HG13 ILE A 32 -19.064 12.429 -6.602 1.00 4.13 H new ATOM 0 HG21 ILE A 32 -19.168 13.531 -3.633 1.00 21.04 H new ATOM 0 HG22 ILE A 32 -19.026 11.977 -2.778 1.00 21.04 H new ATOM 0 HG23 ILE A 32 -17.958 12.335 -4.156 1.00 21.04 H new ATOM 0 HD11 ILE A 32 -21.036 12.887 -7.968 1.00 64.42 H new ATOM 0 HD12 ILE A 32 -21.099 11.228 -7.326 1.00 64.42 H new ATOM 0 HD13 ILE A 32 -22.100 12.505 -6.594 1.00 64.42 H new ATOM 432 N VAL A 33 -18.435 8.617 -3.709 1.00 23.04 N ATOM 433 CA VAL A 33 -18.072 7.706 -2.614 1.00 44.10 C ATOM 434 C VAL A 33 -17.239 8.419 -1.530 1.00 5.43 C ATOM 435 O VAL A 33 -17.299 8.055 -0.349 1.00 72.21 O ATOM 436 CB VAL A 33 -17.297 6.444 -3.168 1.00 75.24 C ATOM 437 CG1 VAL A 33 -18.155 5.700 -4.217 1.00 25.32 C ATOM 438 CG2 VAL A 33 -15.907 6.816 -3.750 1.00 43.33 C ATOM 0 H VAL A 33 -17.879 8.480 -4.553 1.00 23.04 H new ATOM 0 HA VAL A 33 -18.999 7.370 -2.150 1.00 44.10 H new ATOM 0 HB VAL A 33 -17.118 5.777 -2.325 1.00 75.24 H new ATOM 0 HG11 VAL A 33 -17.606 4.834 -4.588 1.00 25.32 H new ATOM 0 HG12 VAL A 33 -19.086 5.370 -3.757 1.00 25.32 H new ATOM 0 HG13 VAL A 33 -18.378 6.371 -5.047 1.00 25.32 H new ATOM 0 HG21 VAL A 33 -15.414 5.916 -4.118 1.00 43.33 H new ATOM 0 HG22 VAL A 33 -16.033 7.522 -4.571 1.00 43.33 H new ATOM 0 HG23 VAL A 33 -15.296 7.272 -2.971 1.00 43.33 H new ATOM 448 N ASP A 34 -16.512 9.472 -1.940 1.00 35.43 N ATOM 449 CA ASP A 34 -15.538 10.153 -1.078 1.00 11.01 C ATOM 450 C ASP A 34 -15.197 11.554 -1.617 1.00 53.43 C ATOM 451 O ASP A 34 -14.765 11.678 -2.761 1.00 71.43 O ATOM 452 CB ASP A 34 -14.245 9.301 -0.961 1.00 24.22 C ATOM 453 CG ASP A 34 -13.089 10.037 -0.272 1.00 33.00 C ATOM 454 OD1 ASP A 34 -13.255 10.445 0.894 1.00 51.14 O ATOM 455 OD2 ASP A 34 -12.027 10.246 -0.909 1.00 22.54 O ATOM 0 H ASP A 34 -16.584 9.872 -2.875 1.00 35.43 H new ATOM 0 HA ASP A 34 -15.985 10.270 -0.091 1.00 11.01 H new ATOM 0 HB2 ASP A 34 -14.468 8.390 -0.405 1.00 24.22 H new ATOM 0 HB3 ASP A 34 -13.928 8.996 -1.958 1.00 24.22 H new ATOM 460 N PRO A 35 -15.445 12.640 -0.811 1.00 51.01 N ATOM 461 CA PRO A 35 -14.904 13.989 -1.071 1.00 60.25 C ATOM 462 C PRO A 35 -13.749 14.439 -0.117 1.00 3.14 C ATOM 463 O PRO A 35 -13.191 15.524 -0.311 1.00 61.44 O ATOM 464 CB PRO A 35 -16.181 14.830 -0.845 1.00 74.31 C ATOM 465 CG PRO A 35 -16.920 14.132 0.284 1.00 13.12 C ATOM 466 CD PRO A 35 -16.399 12.693 0.333 1.00 35.34 C ATOM 0 HA PRO A 35 -14.428 14.075 -2.048 1.00 60.25 H new ATOM 0 HB2 PRO A 35 -15.934 15.858 -0.578 1.00 74.31 H new ATOM 0 HB3 PRO A 35 -16.790 14.872 -1.748 1.00 74.31 H new ATOM 0 HG2 PRO A 35 -16.744 14.639 1.233 1.00 13.12 H new ATOM 0 HG3 PRO A 35 -17.996 14.148 0.109 1.00 13.12 H new ATOM 0 HD2 PRO A 35 -15.905 12.475 1.280 1.00 35.34 H new ATOM 0 HD3 PRO A 35 -17.205 11.968 0.220 1.00 35.34 H new ATOM 474 N LEU A 36 -13.386 13.622 0.906 1.00 2.13 N ATOM 475 CA LEU A 36 -12.511 14.083 2.035 1.00 12.43 C ATOM 476 C LEU A 36 -11.190 13.286 2.161 1.00 52.23 C ATOM 477 O LEU A 36 -10.318 13.673 2.960 1.00 75.12 O ATOM 478 CB LEU A 36 -13.301 14.001 3.382 1.00 32.14 C ATOM 479 CG LEU A 36 -14.550 14.939 3.533 1.00 25.14 C ATOM 480 CD1 LEU A 36 -15.239 14.734 4.907 1.00 3.20 C ATOM 481 CD2 LEU A 36 -14.171 16.431 3.319 1.00 2.11 C ATOM 0 H LEU A 36 -13.679 12.648 0.979 1.00 2.13 H new ATOM 0 HA LEU A 36 -12.234 15.113 1.810 1.00 12.43 H new ATOM 0 HB2 LEU A 36 -13.632 12.971 3.519 1.00 32.14 H new ATOM 0 HB3 LEU A 36 -12.610 14.224 4.195 1.00 32.14 H new ATOM 0 HG LEU A 36 -15.261 14.664 2.754 1.00 25.14 H new ATOM 0 HD11 LEU A 36 -16.101 15.397 4.984 1.00 3.20 H new ATOM 0 HD12 LEU A 36 -15.568 13.699 4.998 1.00 3.20 H new ATOM 0 HD13 LEU A 36 -14.533 14.962 5.706 1.00 3.20 H new ATOM 0 HD21 LEU A 36 -15.060 17.052 3.431 1.00 2.11 H new ATOM 0 HD22 LEU A 36 -13.426 16.727 4.058 1.00 2.11 H new ATOM 0 HD23 LEU A 36 -13.761 16.562 2.318 1.00 2.11 H new ATOM 493 N MET A 37 -11.054 12.211 1.375 1.00 51.12 N ATOM 494 CA MET A 37 -9.965 11.210 1.481 1.00 22.41 C ATOM 495 C MET A 37 -10.151 10.406 2.776 1.00 41.03 C ATOM 496 O MET A 37 -9.535 10.701 3.810 1.00 64.00 O ATOM 497 CB MET A 37 -8.521 11.822 1.342 1.00 21.13 C ATOM 498 CG MET A 37 -7.409 10.818 0.940 1.00 5.45 C ATOM 499 SD MET A 37 -7.076 9.522 2.162 1.00 53.43 S ATOM 500 CE MET A 37 -6.252 10.431 3.472 1.00 15.43 C ATOM 0 H MET A 37 -11.712 12.000 0.625 1.00 51.12 H new ATOM 0 HA MET A 37 -10.042 10.536 0.628 1.00 22.41 H new ATOM 0 HB2 MET A 37 -8.553 12.619 0.600 1.00 21.13 H new ATOM 0 HB3 MET A 37 -8.246 12.281 2.292 1.00 21.13 H new ATOM 0 HG2 MET A 37 -7.688 10.346 -0.002 1.00 5.45 H new ATOM 0 HG3 MET A 37 -6.488 11.372 0.758 1.00 5.45 H new ATOM 0 HE1 MET A 37 -5.963 9.743 4.267 1.00 15.43 H new ATOM 0 HE2 MET A 37 -5.362 10.918 3.073 1.00 15.43 H new ATOM 0 HE3 MET A 37 -6.929 11.185 3.873 1.00 15.43 H new ATOM 510 N LYS A 38 -11.072 9.429 2.724 1.00 11.20 N ATOM 511 CA LYS A 38 -11.359 8.514 3.846 1.00 53.03 C ATOM 512 C LYS A 38 -10.472 7.265 3.732 1.00 72.32 C ATOM 513 O LYS A 38 -10.962 6.129 3.789 1.00 12.40 O ATOM 514 CB LYS A 38 -12.866 8.137 3.856 1.00 42.40 C ATOM 515 CG LYS A 38 -13.819 9.339 4.008 1.00 2.54 C ATOM 516 CD LYS A 38 -15.303 8.924 3.939 1.00 73.55 C ATOM 517 CE LYS A 38 -16.249 10.128 3.962 1.00 61.52 C ATOM 518 NZ LYS A 38 -17.673 9.705 3.896 1.00 0.44 N ATOM 0 H LYS A 38 -11.643 9.249 1.898 1.00 11.20 H new ATOM 0 HA LYS A 38 -11.133 9.011 4.790 1.00 53.03 H new ATOM 0 HB2 LYS A 38 -13.104 7.614 2.930 1.00 42.40 H new ATOM 0 HB3 LYS A 38 -13.048 7.438 4.672 1.00 42.40 H new ATOM 0 HG2 LYS A 38 -13.627 9.834 4.960 1.00 2.54 H new ATOM 0 HG3 LYS A 38 -13.611 10.066 3.223 1.00 2.54 H new ATOM 0 HD2 LYS A 38 -15.474 8.348 3.029 1.00 73.55 H new ATOM 0 HD3 LYS A 38 -15.533 8.269 4.779 1.00 73.55 H new ATOM 0 HE2 LYS A 38 -16.082 10.706 4.871 1.00 61.52 H new ATOM 0 HE3 LYS A 38 -16.024 10.784 3.121 1.00 61.52 H new ATOM 0 HZ1 LYS A 38 -18.286 10.545 3.914 1.00 0.44 H new ATOM 0 HZ2 LYS A 38 -17.837 9.175 3.016 1.00 0.44 H new ATOM 0 HZ3 LYS A 38 -17.893 9.099 4.712 1.00 0.44 H new ATOM 532 N TYR A 39 -9.157 7.517 3.577 1.00 43.10 N ATOM 533 CA TYR A 39 -8.119 6.482 3.481 1.00 65.05 C ATOM 534 C TYR A 39 -8.426 5.492 2.341 1.00 41.12 C ATOM 535 O TYR A 39 -8.853 4.359 2.566 1.00 15.52 O ATOM 536 CB TYR A 39 -7.914 5.786 4.857 1.00 53.34 C ATOM 537 CG TYR A 39 -7.580 6.784 5.977 1.00 70.11 C ATOM 538 CD1 TYR A 39 -6.341 7.423 6.013 1.00 75.43 C ATOM 539 CD2 TYR A 39 -8.498 7.095 6.985 1.00 41.40 C ATOM 540 CE1 TYR A 39 -6.038 8.344 6.994 1.00 3.13 C ATOM 541 CE2 TYR A 39 -8.199 8.022 7.960 1.00 30.23 C ATOM 542 CZ TYR A 39 -6.962 8.629 7.973 1.00 32.21 C ATOM 543 OH TYR A 39 -6.661 9.547 8.953 1.00 15.53 O ATOM 0 H TYR A 39 -8.784 8.464 3.514 1.00 43.10 H new ATOM 0 HA TYR A 39 -7.171 6.954 3.224 1.00 65.05 H new ATOM 0 HB2 TYR A 39 -8.818 5.237 5.121 1.00 53.34 H new ATOM 0 HB3 TYR A 39 -7.110 5.055 4.775 1.00 53.34 H new ATOM 0 HD1 TYR A 39 -5.604 7.192 5.258 1.00 75.43 H new ATOM 0 HD2 TYR A 39 -9.458 6.600 7.000 1.00 41.40 H new ATOM 0 HE1 TYR A 39 -5.079 8.840 6.994 1.00 3.13 H new ATOM 0 HE2 TYR A 39 -8.933 8.272 8.712 1.00 30.23 H new ATOM 0 HH TYR A 39 -7.421 9.633 9.565 1.00 15.53 H new ATOM 553 N ILE A 40 -8.272 5.987 1.109 1.00 41.23 N ATOM 554 CA ILE A 40 -8.533 5.236 -0.132 1.00 23.13 C ATOM 555 C ILE A 40 -7.228 5.093 -0.942 1.00 12.42 C ATOM 556 O ILE A 40 -6.360 5.974 -0.876 1.00 0.23 O ATOM 557 CB ILE A 40 -9.667 5.946 -0.982 1.00 2.42 C ATOM 558 CG1 ILE A 40 -11.050 5.818 -0.247 1.00 31.50 C ATOM 559 CG2 ILE A 40 -9.750 5.406 -2.434 1.00 51.42 C ATOM 560 CD1 ILE A 40 -12.252 6.310 -1.035 1.00 21.11 C ATOM 0 H ILE A 40 -7.956 6.942 0.938 1.00 41.23 H new ATOM 0 HA ILE A 40 -8.888 4.237 0.121 1.00 23.13 H new ATOM 0 HB ILE A 40 -9.405 7.001 -1.064 1.00 2.42 H new ATOM 0 HG12 ILE A 40 -11.210 4.771 0.012 1.00 31.50 H new ATOM 0 HG13 ILE A 40 -10.998 6.374 0.689 1.00 31.50 H new ATOM 0 HG21 ILE A 40 -10.543 5.927 -2.971 1.00 51.42 H new ATOM 0 HG22 ILE A 40 -8.799 5.573 -2.939 1.00 51.42 H new ATOM 0 HG23 ILE A 40 -9.967 4.338 -2.413 1.00 51.42 H new ATOM 0 HD11 ILE A 40 -13.156 6.178 -0.440 1.00 21.11 H new ATOM 0 HD12 ILE A 40 -12.124 7.366 -1.272 1.00 21.11 H new ATOM 0 HD13 ILE A 40 -12.339 5.739 -1.959 1.00 21.11 H new ATOM 572 N CYS A 41 -7.116 3.970 -1.700 1.00 23.11 N ATOM 573 CA CYS A 41 -5.968 3.676 -2.550 1.00 41.51 C ATOM 574 C CYS A 41 -5.844 4.753 -3.633 1.00 21.51 C ATOM 575 O CYS A 41 -6.740 4.907 -4.476 1.00 52.42 O ATOM 576 CB CYS A 41 -6.115 2.290 -3.188 1.00 60.43 C ATOM 577 SG CYS A 41 -4.724 1.812 -4.269 1.00 0.41 S ATOM 0 H CYS A 41 -7.835 3.247 -1.727 1.00 23.11 H new ATOM 0 HA CYS A 41 -5.064 3.676 -1.941 1.00 41.51 H new ATOM 0 HB2 CYS A 41 -6.217 1.547 -2.397 1.00 60.43 H new ATOM 0 HB3 CYS A 41 -7.037 2.266 -3.769 1.00 60.43 H new ATOM 0 HG CYS A 41 -5.147 1.690 -5.492 1.00 0.41 H new ATOM 582 N HIS A 42 -4.732 5.495 -3.561 1.00 52.35 N ATOM 583 CA HIS A 42 -4.447 6.645 -4.432 1.00 24.42 C ATOM 584 C HIS A 42 -4.271 6.205 -5.911 1.00 31.44 C ATOM 585 O HIS A 42 -4.394 7.010 -6.838 1.00 52.43 O ATOM 586 CB HIS A 42 -3.176 7.381 -3.914 1.00 14.35 C ATOM 587 CG HIS A 42 -3.132 8.843 -4.254 1.00 23.33 C ATOM 588 ND1 HIS A 42 -3.201 9.837 -3.305 1.00 51.30 N ATOM 589 CD2 HIS A 42 -3.019 9.475 -5.440 1.00 42.02 C ATOM 590 CE1 HIS A 42 -3.145 11.011 -3.892 1.00 10.45 C ATOM 591 NE2 HIS A 42 -3.030 10.820 -5.185 1.00 31.15 N ATOM 0 H HIS A 42 -3.991 5.311 -2.884 1.00 52.35 H new ATOM 0 HA HIS A 42 -5.295 7.329 -4.400 1.00 24.42 H new ATOM 0 HB2 HIS A 42 -3.121 7.269 -2.831 1.00 14.35 H new ATOM 0 HB3 HIS A 42 -2.293 6.896 -4.330 1.00 14.35 H new ATOM 0 HD1 HIS A 42 -3.283 9.686 -2.300 1.00 51.30 H new ATOM 0 HD2 HIS A 42 -2.935 9.007 -6.410 1.00 42.02 H new ATOM 0 HE1 HIS A 42 -3.187 11.969 -3.395 1.00 10.45 H new ATOM 600 N ILE A 43 -3.993 4.908 -6.097 1.00 74.41 N ATOM 601 CA ILE A 43 -3.785 4.297 -7.415 1.00 23.34 C ATOM 602 C ILE A 43 -5.153 3.910 -8.041 1.00 11.03 C ATOM 603 O ILE A 43 -5.370 4.099 -9.245 1.00 31.20 O ATOM 604 CB ILE A 43 -2.839 3.027 -7.299 1.00 20.10 C ATOM 605 CG1 ILE A 43 -1.483 3.432 -6.615 1.00 41.31 C ATOM 606 CG2 ILE A 43 -2.590 2.361 -8.686 1.00 24.24 C ATOM 607 CD1 ILE A 43 -0.496 2.298 -6.398 1.00 71.11 C ATOM 0 H ILE A 43 -3.905 4.246 -5.326 1.00 74.41 H new ATOM 0 HA ILE A 43 -3.296 5.022 -8.066 1.00 23.34 H new ATOM 0 HB ILE A 43 -3.341 2.285 -6.678 1.00 20.10 H new ATOM 0 HG12 ILE A 43 -1.003 4.197 -7.225 1.00 41.31 H new ATOM 0 HG13 ILE A 43 -1.705 3.887 -5.650 1.00 41.31 H new ATOM 0 HG21 ILE A 43 -1.938 1.496 -8.563 1.00 24.24 H new ATOM 0 HG22 ILE A 43 -3.541 2.041 -9.112 1.00 24.24 H new ATOM 0 HG23 ILE A 43 -2.117 3.080 -9.355 1.00 24.24 H new ATOM 0 HD11 ILE A 43 0.404 2.685 -5.921 1.00 71.11 H new ATOM 0 HD12 ILE A 43 -0.948 1.540 -5.759 1.00 71.11 H new ATOM 0 HD13 ILE A 43 -0.235 1.854 -7.359 1.00 71.11 H new ATOM 619 N CYS A 44 -6.083 3.406 -7.200 1.00 0.14 N ATOM 620 CA CYS A 44 -7.360 2.804 -7.652 1.00 14.45 C ATOM 621 C CYS A 44 -8.499 3.841 -7.811 1.00 23.41 C ATOM 622 O CYS A 44 -9.405 3.651 -8.654 1.00 52.44 O ATOM 623 CB CYS A 44 -7.774 1.725 -6.641 1.00 34.30 C ATOM 624 SG CYS A 44 -6.463 0.511 -6.346 1.00 21.44 S ATOM 0 H CYS A 44 -5.970 3.405 -6.186 1.00 0.14 H new ATOM 0 HA CYS A 44 -7.195 2.375 -8.641 1.00 14.45 H new ATOM 0 HB2 CYS A 44 -8.044 2.200 -5.698 1.00 34.30 H new ATOM 0 HB3 CYS A 44 -8.664 1.212 -7.006 1.00 34.30 H new ATOM 0 HG CYS A 44 -5.942 0.712 -5.172 1.00 21.44 H new ATOM 629 N ASN A 45 -8.446 4.892 -6.965 1.00 2.41 N ATOM 630 CA ASN A 45 -9.481 5.953 -6.830 1.00 55.10 C ATOM 631 C ASN A 45 -10.704 5.446 -6.024 1.00 54.13 C ATOM 632 O ASN A 45 -11.244 6.170 -5.181 1.00 75.24 O ATOM 633 CB ASN A 45 -9.915 6.549 -8.201 1.00 25.31 C ATOM 634 CG ASN A 45 -10.671 7.876 -8.093 1.00 65.30 C ATOM 635 OD1 ASN A 45 -11.891 7.912 -7.890 1.00 71.54 O ATOM 636 ND2 ASN A 45 -9.961 8.973 -8.280 1.00 12.53 N ATOM 0 H ASN A 45 -7.658 5.035 -6.334 1.00 2.41 H new ATOM 0 HA ASN A 45 -9.020 6.767 -6.271 1.00 55.10 H new ATOM 0 HB2 ASN A 45 -9.029 6.697 -8.818 1.00 25.31 H new ATOM 0 HB3 ASN A 45 -10.545 5.825 -8.717 1.00 25.31 H new ATOM 0 HD21 ASN A 45 -10.417 9.885 -8.259 1.00 12.53 H new ATOM 0 HD22 ASN A 45 -8.957 8.908 -8.445 1.00 12.53 H new ATOM 643 N ARG A 46 -11.170 4.212 -6.312 1.00 44.52 N ATOM 644 CA ARG A 46 -12.198 3.529 -5.495 1.00 35.33 C ATOM 645 C ARG A 46 -11.523 2.761 -4.342 1.00 64.50 C ATOM 646 O ARG A 46 -10.454 2.155 -4.526 1.00 3.34 O ATOM 647 CB ARG A 46 -13.035 2.558 -6.368 1.00 24.41 C ATOM 648 CG ARG A 46 -13.930 3.241 -7.429 1.00 22.25 C ATOM 649 CD ARG A 46 -14.803 2.227 -8.203 1.00 42.00 C ATOM 650 NE ARG A 46 -15.691 1.459 -7.312 1.00 30.44 N ATOM 651 CZ ARG A 46 -16.748 0.719 -7.697 1.00 62.22 C ATOM 652 NH1 ARG A 46 -17.100 0.632 -8.982 1.00 71.24 N ATOM 653 NH2 ARG A 46 -17.448 0.054 -6.783 1.00 73.54 N ATOM 0 H ARG A 46 -10.848 3.664 -7.110 1.00 44.52 H new ATOM 0 HA ARG A 46 -12.870 4.280 -5.080 1.00 35.33 H new ATOM 0 HB2 ARG A 46 -12.356 1.871 -6.874 1.00 24.41 H new ATOM 0 HB3 ARG A 46 -13.667 1.957 -5.714 1.00 24.41 H new ATOM 0 HG2 ARG A 46 -14.574 3.973 -6.941 1.00 22.25 H new ATOM 0 HG3 ARG A 46 -13.302 3.788 -8.133 1.00 22.25 H new ATOM 0 HD2 ARG A 46 -15.404 2.758 -8.942 1.00 42.00 H new ATOM 0 HD3 ARG A 46 -14.158 1.539 -8.751 1.00 42.00 H new ATOM 0 HE ARG A 46 -15.486 1.491 -6.313 1.00 30.44 H new ATOM 0 HH11 ARG A 46 -16.565 1.131 -9.692 1.00 71.24 H new ATOM 0 HH12 ARG A 46 -17.904 0.066 -9.253 1.00 71.24 H new ATOM 0 HH21 ARG A 46 -17.183 0.107 -5.800 1.00 73.54 H new ATOM 0 HH22 ARG A 46 -18.250 -0.509 -7.065 1.00 73.54 H new ATOM 667 N GLY A 47 -12.153 2.792 -3.155 1.00 70.33 N ATOM 668 CA GLY A 47 -11.628 2.128 -1.951 1.00 52.33 C ATOM 669 C GLY A 47 -12.611 1.154 -1.330 1.00 4.14 C ATOM 670 O GLY A 47 -12.788 1.136 -0.100 1.00 32.14 O ATOM 0 H GLY A 47 -13.038 3.277 -3.004 1.00 70.33 H new ATOM 0 HA2 GLY A 47 -10.712 1.596 -2.207 1.00 52.33 H new ATOM 0 HA3 GLY A 47 -11.361 2.885 -1.213 1.00 52.33 H new ATOM 674 N ASP A 48 -13.228 0.321 -2.188 1.00 64.44 N ATOM 675 CA ASP A 48 -14.207 -0.709 -1.763 1.00 1.00 C ATOM 676 C ASP A 48 -13.531 -1.756 -0.864 1.00 5.03 C ATOM 677 O ASP A 48 -13.989 -2.016 0.253 1.00 75.34 O ATOM 678 CB ASP A 48 -14.859 -1.405 -2.990 1.00 34.24 C ATOM 679 CG ASP A 48 -15.647 -0.435 -3.883 1.00 53.05 C ATOM 680 OD1 ASP A 48 -15.014 0.340 -4.631 1.00 2.40 O ATOM 681 OD2 ASP A 48 -16.899 -0.442 -3.850 1.00 50.31 O ATOM 0 H ASP A 48 -13.066 0.339 -3.195 1.00 64.44 H new ATOM 0 HA ASP A 48 -14.992 -0.208 -1.197 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -14.081 -1.886 -3.583 1.00 34.24 H new ATOM 0 HB3 ASP A 48 -15.527 -2.193 -2.641 1.00 34.24 H new ATOM 686 N VAL A 49 -12.433 -2.350 -1.370 1.00 51.00 N ATOM 687 CA VAL A 49 -11.629 -3.331 -0.622 1.00 65.43 C ATOM 688 C VAL A 49 -10.705 -2.583 0.367 1.00 43.02 C ATOM 689 O VAL A 49 -9.519 -2.344 0.102 1.00 75.31 O ATOM 690 CB VAL A 49 -10.812 -4.272 -1.592 1.00 11.51 C ATOM 691 CG1 VAL A 49 -10.058 -5.382 -0.816 1.00 1.05 C ATOM 692 CG2 VAL A 49 -11.738 -4.871 -2.688 1.00 14.10 C ATOM 0 H VAL A 49 -12.080 -2.162 -2.308 1.00 51.00 H new ATOM 0 HA VAL A 49 -12.296 -3.981 -0.056 1.00 65.43 H new ATOM 0 HB VAL A 49 -10.056 -3.662 -2.087 1.00 11.51 H new ATOM 0 HG11 VAL A 49 -9.508 -6.008 -1.519 1.00 1.05 H new ATOM 0 HG12 VAL A 49 -9.360 -4.925 -0.114 1.00 1.05 H new ATOM 0 HG13 VAL A 49 -10.775 -5.994 -0.269 1.00 1.05 H new ATOM 0 HG21 VAL A 49 -11.154 -5.516 -3.345 1.00 14.10 H new ATOM 0 HG22 VAL A 49 -12.529 -5.454 -2.217 1.00 14.10 H new ATOM 0 HG23 VAL A 49 -12.180 -4.064 -3.272 1.00 14.10 H new ATOM 702 N GLU A 50 -11.311 -2.141 1.476 1.00 2.15 N ATOM 703 CA GLU A 50 -10.616 -1.422 2.557 1.00 31.31 C ATOM 704 C GLU A 50 -9.788 -2.392 3.413 1.00 11.15 C ATOM 705 O GLU A 50 -8.915 -1.969 4.176 1.00 53.50 O ATOM 706 CB GLU A 50 -11.620 -0.631 3.432 1.00 11.44 C ATOM 707 CG GLU A 50 -12.602 -1.503 4.257 1.00 24.32 C ATOM 708 CD GLU A 50 -13.508 -0.686 5.191 1.00 10.01 C ATOM 709 OE1 GLU A 50 -12.979 -0.006 6.092 1.00 64.15 O ATOM 710 OE2 GLU A 50 -14.744 -0.699 5.019 1.00 74.12 O ATOM 0 H GLU A 50 -12.307 -2.272 1.652 1.00 2.15 H new ATOM 0 HA GLU A 50 -9.933 -0.706 2.101 1.00 31.31 H new ATOM 0 HB2 GLU A 50 -11.059 0.004 4.117 1.00 11.44 H new ATOM 0 HB3 GLU A 50 -12.199 0.029 2.787 1.00 11.44 H new ATOM 0 HG2 GLU A 50 -13.224 -2.081 3.574 1.00 24.32 H new ATOM 0 HG3 GLU A 50 -12.031 -2.217 4.850 1.00 24.32 H new ATOM 717 N GLU A 51 -10.111 -3.692 3.309 1.00 60.12 N ATOM 718 CA GLU A 51 -9.363 -4.764 3.989 1.00 23.33 C ATOM 719 C GLU A 51 -7.873 -4.790 3.581 1.00 61.33 C ATOM 720 O GLU A 51 -7.012 -5.065 4.413 1.00 33.24 O ATOM 721 CB GLU A 51 -10.018 -6.138 3.706 1.00 44.01 C ATOM 722 CG GLU A 51 -11.472 -6.281 4.213 1.00 40.45 C ATOM 723 CD GLU A 51 -11.635 -6.023 5.728 1.00 13.54 C ATOM 724 OE1 GLU A 51 -11.098 -6.812 6.538 1.00 72.35 O ATOM 725 OE2 GLU A 51 -12.294 -5.027 6.117 1.00 4.42 O ATOM 0 H GLU A 51 -10.896 -4.029 2.752 1.00 60.12 H new ATOM 0 HA GLU A 51 -9.403 -4.556 5.058 1.00 23.33 H new ATOM 0 HB2 GLU A 51 -10.004 -6.317 2.631 1.00 44.01 H new ATOM 0 HB3 GLU A 51 -9.410 -6.916 4.166 1.00 44.01 H new ATOM 0 HG2 GLU A 51 -12.107 -5.585 3.665 1.00 40.45 H new ATOM 0 HG3 GLU A 51 -11.829 -7.285 3.985 1.00 40.45 H new ATOM 732 N SER A 52 -7.578 -4.468 2.312 1.00 0.44 N ATOM 733 CA SER A 52 -6.198 -4.446 1.780 1.00 14.33 C ATOM 734 C SER A 52 -5.635 -3.014 1.725 1.00 11.12 C ATOM 735 O SER A 52 -4.610 -2.768 1.071 1.00 72.13 O ATOM 736 CB SER A 52 -6.199 -5.080 0.380 1.00 14.03 C ATOM 737 OG SER A 52 -6.787 -6.363 0.407 1.00 50.44 O ATOM 0 H SER A 52 -8.286 -4.215 1.623 1.00 0.44 H new ATOM 0 HA SER A 52 -5.553 -5.017 2.447 1.00 14.33 H new ATOM 0 HB2 SER A 52 -6.745 -4.440 -0.313 1.00 14.03 H new ATOM 0 HB3 SER A 52 -5.177 -5.152 0.009 1.00 14.03 H new ATOM 0 HG SER A 52 -6.778 -6.746 -0.495 1.00 50.44 H new ATOM 743 N MET A 53 -6.302 -2.079 2.431 1.00 43.25 N ATOM 744 CA MET A 53 -5.923 -0.660 2.440 1.00 53.00 C ATOM 745 C MET A 53 -4.773 -0.448 3.440 1.00 43.23 C ATOM 746 O MET A 53 -4.969 -0.591 4.652 1.00 54.44 O ATOM 747 CB MET A 53 -7.131 0.234 2.833 1.00 44.23 C ATOM 748 CG MET A 53 -6.951 1.717 2.512 1.00 72.24 C ATOM 749 SD MET A 53 -7.033 2.022 0.734 1.00 40.32 S ATOM 750 CE MET A 53 -8.735 1.558 0.375 1.00 75.41 C ATOM 0 H MET A 53 -7.116 -2.290 3.008 1.00 43.25 H new ATOM 0 HA MET A 53 -5.601 -0.377 1.438 1.00 53.00 H new ATOM 0 HB2 MET A 53 -8.020 -0.131 2.319 1.00 44.23 H new ATOM 0 HB3 MET A 53 -7.314 0.126 3.902 1.00 44.23 H new ATOM 0 HG2 MET A 53 -7.723 2.296 3.018 1.00 72.24 H new ATOM 0 HG3 MET A 53 -5.991 2.060 2.898 1.00 72.24 H new ATOM 0 HE1 MET A 53 -8.987 1.858 -0.642 1.00 75.41 H new ATOM 0 HE2 MET A 53 -8.846 0.478 0.473 1.00 75.41 H new ATOM 0 HE3 MET A 53 -9.404 2.056 1.077 1.00 75.41 H new ATOM 760 N LEU A 54 -3.588 -0.127 2.919 1.00 10.01 N ATOM 761 CA LEU A 54 -2.380 0.113 3.727 1.00 31.14 C ATOM 762 C LEU A 54 -2.262 1.609 4.005 1.00 61.54 C ATOM 763 O LEU A 54 -2.331 2.413 3.077 1.00 21.12 O ATOM 764 CB LEU A 54 -1.118 -0.373 2.971 1.00 41.11 C ATOM 765 CG LEU A 54 -1.110 -1.857 2.519 1.00 71.35 C ATOM 766 CD1 LEU A 54 0.209 -2.190 1.791 1.00 11.15 C ATOM 767 CD2 LEU A 54 -1.361 -2.799 3.717 1.00 20.14 C ATOM 0 H LEU A 54 -3.433 -0.024 1.916 1.00 10.01 H new ATOM 0 HA LEU A 54 -2.459 -0.439 4.664 1.00 31.14 H new ATOM 0 HB2 LEU A 54 -0.987 0.253 2.088 1.00 41.11 H new ATOM 0 HB3 LEU A 54 -0.252 -0.207 3.611 1.00 41.11 H new ATOM 0 HG LEU A 54 -1.926 -2.012 1.813 1.00 71.35 H new ATOM 0 HD11 LEU A 54 0.199 -3.235 1.480 1.00 11.15 H new ATOM 0 HD12 LEU A 54 0.312 -1.551 0.914 1.00 11.15 H new ATOM 0 HD13 LEU A 54 1.049 -2.020 2.464 1.00 11.15 H new ATOM 0 HD21 LEU A 54 -1.351 -3.834 3.375 1.00 20.14 H new ATOM 0 HD22 LEU A 54 -0.579 -2.656 4.463 1.00 20.14 H new ATOM 0 HD23 LEU A 54 -2.331 -2.573 4.160 1.00 20.14 H new ATOM 779 N LEU A 55 -2.056 1.969 5.272 1.00 43.22 N ATOM 780 CA LEU A 55 -1.872 3.364 5.688 1.00 41.50 C ATOM 781 C LEU A 55 -0.366 3.599 5.867 1.00 14.24 C ATOM 782 O LEU A 55 0.283 2.913 6.671 1.00 20.35 O ATOM 783 CB LEU A 55 -2.669 3.645 7.010 1.00 11.10 C ATOM 784 CG LEU A 55 -2.820 5.153 7.476 1.00 53.51 C ATOM 785 CD1 LEU A 55 -1.581 5.704 8.229 1.00 1.22 C ATOM 786 CD2 LEU A 55 -3.170 6.051 6.272 1.00 33.32 C ATOM 0 H LEU A 55 -2.012 1.302 6.042 1.00 43.22 H new ATOM 0 HA LEU A 55 -2.259 4.052 4.936 1.00 41.50 H new ATOM 0 HB2 LEU A 55 -3.670 3.229 6.893 1.00 11.10 H new ATOM 0 HB3 LEU A 55 -2.186 3.092 7.816 1.00 11.10 H new ATOM 0 HG LEU A 55 -3.637 5.170 8.197 1.00 53.51 H new ATOM 0 HD11 LEU A 55 -1.760 6.740 8.515 1.00 1.22 H new ATOM 0 HD12 LEU A 55 -1.403 5.106 9.123 1.00 1.22 H new ATOM 0 HD13 LEU A 55 -0.708 5.653 7.579 1.00 1.22 H new ATOM 0 HD21 LEU A 55 -3.271 7.084 6.606 1.00 33.32 H new ATOM 0 HD22 LEU A 55 -2.377 5.986 5.527 1.00 33.32 H new ATOM 0 HD23 LEU A 55 -4.110 5.719 5.831 1.00 33.32 H new ATOM 798 N CYS A 56 0.191 4.537 5.080 1.00 43.15 N ATOM 799 CA CYS A 56 1.583 4.946 5.213 1.00 64.41 C ATOM 800 C CYS A 56 1.749 5.734 6.521 1.00 41.43 C ATOM 801 O CYS A 56 1.269 6.873 6.634 1.00 23.42 O ATOM 802 CB CYS A 56 2.015 5.788 4.004 1.00 44.13 C ATOM 803 SG CYS A 56 3.737 6.386 4.098 1.00 42.42 S ATOM 0 H CYS A 56 -0.315 5.025 4.341 1.00 43.15 H new ATOM 0 HA CYS A 56 2.223 4.064 5.244 1.00 64.41 H new ATOM 0 HB2 CYS A 56 1.896 5.193 3.098 1.00 44.13 H new ATOM 0 HB3 CYS A 56 1.347 6.645 3.913 1.00 44.13 H new ATOM 808 N ASP A 57 2.387 5.073 7.506 1.00 44.13 N ATOM 809 CA ASP A 57 2.681 5.629 8.843 1.00 14.42 C ATOM 810 C ASP A 57 3.537 6.911 8.736 1.00 74.23 C ATOM 811 O ASP A 57 3.411 7.832 9.552 1.00 33.24 O ATOM 812 CB ASP A 57 3.398 4.536 9.688 1.00 34.30 C ATOM 813 CG ASP A 57 3.887 5.031 11.061 1.00 12.12 C ATOM 814 OD1 ASP A 57 3.043 5.404 11.908 1.00 33.32 O ATOM 815 OD2 ASP A 57 5.120 5.031 11.316 1.00 12.32 O ATOM 0 H ASP A 57 2.720 4.116 7.393 1.00 44.13 H new ATOM 0 HA ASP A 57 1.751 5.913 9.335 1.00 14.42 H new ATOM 0 HB2 ASP A 57 2.715 3.699 9.836 1.00 34.30 H new ATOM 0 HB3 ASP A 57 4.250 4.156 9.125 1.00 34.30 H new ATOM 820 N GLY A 58 4.388 6.952 7.693 1.00 72.33 N ATOM 821 CA GLY A 58 5.207 8.130 7.374 1.00 45.33 C ATOM 822 C GLY A 58 4.569 9.041 6.320 1.00 24.01 C ATOM 823 O GLY A 58 5.284 9.653 5.521 1.00 73.31 O ATOM 0 H GLY A 58 4.525 6.171 7.052 1.00 72.33 H new ATOM 0 HA2 GLY A 58 5.378 8.703 8.285 1.00 45.33 H new ATOM 0 HA3 GLY A 58 6.183 7.800 7.017 1.00 45.33 H new ATOM 827 N CYS A 59 3.219 9.107 6.312 1.00 74.21 N ATOM 828 CA CYS A 59 2.438 10.028 5.444 1.00 50.33 C ATOM 829 C CYS A 59 1.068 10.386 6.103 1.00 3.02 C ATOM 830 O CYS A 59 0.999 11.271 6.976 1.00 24.20 O ATOM 831 CB CYS A 59 2.204 9.434 4.015 1.00 45.14 C ATOM 832 SG CYS A 59 3.689 9.101 3.015 1.00 73.44 S ATOM 0 H CYS A 59 2.634 8.522 6.909 1.00 74.21 H new ATOM 0 HA CYS A 59 3.030 10.937 5.335 1.00 50.33 H new ATOM 0 HB2 CYS A 59 1.649 8.502 4.121 1.00 45.14 H new ATOM 0 HB3 CYS A 59 1.567 10.123 3.460 1.00 45.14 H new ATOM 0 HG CYS A 59 3.924 7.823 3.000 1.00 73.44 H new ATOM 837 N ASP A 60 0.040 9.576 5.762 1.00 51.32 N ATOM 838 CA ASP A 60 -1.418 9.911 5.825 1.00 64.52 C ATOM 839 C ASP A 60 -2.130 9.251 4.614 1.00 55.13 C ATOM 840 O ASP A 60 -3.330 8.950 4.671 1.00 75.22 O ATOM 841 CB ASP A 60 -1.700 11.448 5.800 1.00 41.12 C ATOM 842 CG ASP A 60 -3.196 11.825 5.823 1.00 44.14 C ATOM 843 OD1 ASP A 60 -3.855 11.612 6.870 1.00 31.21 O ATOM 844 OD2 ASP A 60 -3.710 12.375 4.818 1.00 13.40 O ATOM 0 H ASP A 60 0.201 8.629 5.420 1.00 51.32 H new ATOM 0 HA ASP A 60 -1.797 9.532 6.774 1.00 64.52 H new ATOM 0 HB2 ASP A 60 -1.209 11.909 6.657 1.00 41.12 H new ATOM 0 HB3 ASP A 60 -1.245 11.874 4.906 1.00 41.12 H new ATOM 849 N ASP A 61 -1.366 9.039 3.512 1.00 71.25 N ATOM 850 CA ASP A 61 -1.884 8.459 2.255 1.00 0.35 C ATOM 851 C ASP A 61 -2.130 6.946 2.415 1.00 5.23 C ATOM 852 O ASP A 61 -1.532 6.301 3.285 1.00 23.52 O ATOM 853 CB ASP A 61 -0.890 8.715 1.073 1.00 11.41 C ATOM 854 CG ASP A 61 -1.610 8.936 -0.270 1.00 52.33 C ATOM 855 OD1 ASP A 61 -2.158 7.973 -0.833 1.00 23.02 O ATOM 856 OD2 ASP A 61 -1.698 10.101 -0.730 1.00 41.01 O ATOM 0 H ASP A 61 -0.373 9.267 3.474 1.00 71.25 H new ATOM 0 HA ASP A 61 -2.831 8.947 2.027 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -0.278 9.588 1.301 1.00 11.41 H new ATOM 0 HB3 ASP A 61 -0.213 7.866 0.982 1.00 11.41 H new ATOM 861 N SER A 62 -2.984 6.387 1.545 1.00 63.23 N ATOM 862 CA SER A 62 -3.372 4.971 1.578 1.00 63.43 C ATOM 863 C SER A 62 -3.224 4.342 0.181 1.00 51.33 C ATOM 864 O SER A 62 -3.473 4.995 -0.837 1.00 1.40 O ATOM 865 CB SER A 62 -4.811 4.840 2.097 1.00 14.42 C ATOM 866 OG SER A 62 -4.932 5.386 3.400 1.00 71.03 O ATOM 0 H SER A 62 -3.429 6.911 0.792 1.00 63.23 H new ATOM 0 HA SER A 62 -2.711 4.432 2.257 1.00 63.43 H new ATOM 0 HB2 SER A 62 -5.494 5.352 1.419 1.00 14.42 H new ATOM 0 HB3 SER A 62 -5.103 3.790 2.110 1.00 14.42 H new ATOM 0 HG SER A 62 -5.075 4.663 4.046 1.00 71.03 H new ATOM 872 N TYR A 63 -2.770 3.073 0.155 1.00 73.54 N ATOM 873 CA TYR A 63 -2.472 2.308 -1.077 1.00 71.24 C ATOM 874 C TYR A 63 -2.858 0.833 -0.851 1.00 53.12 C ATOM 875 O TYR A 63 -2.592 0.296 0.228 1.00 61.14 O ATOM 876 CB TYR A 63 -0.949 2.379 -1.406 1.00 53.34 C ATOM 877 CG TYR A 63 -0.396 3.796 -1.653 1.00 72.25 C ATOM 878 CD1 TYR A 63 0.055 4.599 -0.591 1.00 74.53 C ATOM 879 CD2 TYR A 63 -0.323 4.326 -2.940 1.00 40.53 C ATOM 880 CE1 TYR A 63 0.545 5.870 -0.805 1.00 63.25 C ATOM 881 CE2 TYR A 63 0.169 5.601 -3.158 1.00 42.05 C ATOM 882 CZ TYR A 63 0.605 6.364 -2.088 1.00 34.54 C ATOM 883 OH TYR A 63 1.108 7.625 -2.301 1.00 51.13 O ATOM 0 H TYR A 63 -2.596 2.538 1.006 1.00 73.54 H new ATOM 0 HA TYR A 63 -3.038 2.734 -1.905 1.00 71.24 H new ATOM 0 HB2 TYR A 63 -0.395 1.928 -0.583 1.00 53.34 H new ATOM 0 HB3 TYR A 63 -0.756 1.772 -2.290 1.00 53.34 H new ATOM 0 HD1 TYR A 63 0.017 4.211 0.416 1.00 74.53 H new ATOM 0 HD2 TYR A 63 -0.655 3.733 -3.779 1.00 40.53 H new ATOM 0 HE1 TYR A 63 0.879 6.472 0.027 1.00 63.25 H new ATOM 0 HE2 TYR A 63 0.213 6.000 -4.161 1.00 42.05 H new ATOM 0 HH TYR A 63 1.085 7.829 -3.259 1.00 51.13 H new ATOM 893 N HIS A 64 -3.466 0.171 -1.856 1.00 24.15 N ATOM 894 CA HIS A 64 -3.721 -1.289 -1.783 1.00 5.23 C ATOM 895 C HIS A 64 -2.404 -2.064 -1.946 1.00 13.12 C ATOM 896 O HIS A 64 -1.517 -1.631 -2.693 1.00 13.52 O ATOM 897 CB HIS A 64 -4.720 -1.772 -2.870 1.00 34.51 C ATOM 898 CG HIS A 64 -6.152 -1.342 -2.698 1.00 21.24 C ATOM 899 ND1 HIS A 64 -6.994 -1.193 -3.794 1.00 71.40 N ATOM 900 CD2 HIS A 64 -6.856 -1.115 -1.562 1.00 15.00 C ATOM 901 CE1 HIS A 64 -8.181 -0.884 -3.278 1.00 34.40 C ATOM 902 NE2 HIS A 64 -8.141 -0.830 -1.939 1.00 42.14 N ATOM 0 H HIS A 64 -3.787 0.613 -2.718 1.00 24.15 H new ATOM 0 HA HIS A 64 -4.162 -1.482 -0.805 1.00 5.23 H new ATOM 0 HB2 HIS A 64 -4.370 -1.416 -3.839 1.00 34.51 H new ATOM 0 HB3 HIS A 64 -4.691 -2.861 -2.901 1.00 34.51 H new ATOM 0 HD2 HIS A 64 -6.476 -1.152 -0.552 1.00 15.00 H new ATOM 0 HE1 HIS A 64 -9.068 -0.699 -3.866 1.00 34.40 H new ATOM 0 HE2 HIS A 64 -8.921 -0.617 -1.318 1.00 42.14 H new ATOM 910 N THR A 65 -2.319 -3.212 -1.256 1.00 21.34 N ATOM 911 CA THR A 65 -1.218 -4.185 -1.396 1.00 55.34 C ATOM 912 C THR A 65 -0.970 -4.542 -2.885 1.00 11.34 C ATOM 913 O THR A 65 0.123 -4.335 -3.420 1.00 20.03 O ATOM 914 CB THR A 65 -1.564 -5.493 -0.596 1.00 73.33 C ATOM 915 OG1 THR A 65 -2.909 -5.906 -0.901 1.00 14.22 O ATOM 916 CG2 THR A 65 -1.412 -5.319 0.927 1.00 15.44 C ATOM 0 H THR A 65 -3.022 -3.497 -0.574 1.00 21.34 H new ATOM 0 HA THR A 65 -0.311 -3.732 -0.995 1.00 55.34 H new ATOM 0 HB THR A 65 -0.850 -6.256 -0.907 1.00 73.33 H new ATOM 0 HG1 THR A 65 -3.122 -6.722 -0.402 1.00 14.22 H new ATOM 0 HG21 THR A 65 -1.664 -6.254 1.427 1.00 15.44 H new ATOM 0 HG22 THR A 65 -0.382 -5.048 1.161 1.00 15.44 H new ATOM 0 HG23 THR A 65 -2.082 -4.531 1.272 1.00 15.44 H new ATOM 924 N PHE A 66 -2.046 -5.001 -3.534 1.00 42.12 N ATOM 925 CA PHE A 66 -2.019 -5.577 -4.892 1.00 3.50 C ATOM 926 C PHE A 66 -1.935 -4.518 -6.017 1.00 40.42 C ATOM 927 O PHE A 66 -1.690 -4.870 -7.172 1.00 62.15 O ATOM 928 CB PHE A 66 -3.254 -6.508 -5.088 1.00 41.15 C ATOM 929 CG PHE A 66 -4.625 -5.869 -4.794 1.00 52.24 C ATOM 930 CD1 PHE A 66 -5.153 -5.843 -3.494 1.00 2.44 C ATOM 931 CD2 PHE A 66 -5.386 -5.293 -5.810 1.00 45.40 C ATOM 932 CE1 PHE A 66 -6.387 -5.267 -3.235 1.00 14.15 C ATOM 933 CE2 PHE A 66 -6.619 -4.723 -5.544 1.00 31.15 C ATOM 934 CZ PHE A 66 -7.116 -4.705 -4.258 1.00 13.23 C ATOM 0 H PHE A 66 -2.981 -4.984 -3.126 1.00 42.12 H new ATOM 0 HA PHE A 66 -1.100 -6.157 -4.974 1.00 3.50 H new ATOM 0 HB2 PHE A 66 -3.255 -6.868 -6.117 1.00 41.15 H new ATOM 0 HB3 PHE A 66 -3.135 -7.380 -4.445 1.00 41.15 H new ATOM 0 HD1 PHE A 66 -4.589 -6.279 -2.683 1.00 2.44 H new ATOM 0 HD2 PHE A 66 -5.007 -5.291 -6.821 1.00 45.40 H new ATOM 0 HE1 PHE A 66 -6.777 -5.259 -2.228 1.00 14.15 H new ATOM 0 HE2 PHE A 66 -7.195 -4.290 -6.348 1.00 31.15 H new ATOM 0 HZ PHE A 66 -8.075 -4.251 -4.054 1.00 13.23 H new ATOM 944 N CYS A 67 -2.162 -3.235 -5.685 1.00 4.22 N ATOM 945 CA CYS A 67 -2.168 -2.136 -6.671 1.00 12.54 C ATOM 946 C CYS A 67 -0.769 -1.514 -6.836 1.00 22.35 C ATOM 947 O CYS A 67 -0.475 -0.891 -7.866 1.00 73.24 O ATOM 948 CB CYS A 67 -3.203 -1.093 -6.239 1.00 60.10 C ATOM 949 SG CYS A 67 -4.878 -1.784 -6.071 1.00 53.13 S ATOM 0 H CYS A 67 -2.346 -2.930 -4.729 1.00 4.22 H new ATOM 0 HA CYS A 67 -2.443 -2.531 -7.649 1.00 12.54 H new ATOM 0 HB2 CYS A 67 -2.898 -0.658 -5.287 1.00 60.10 H new ATOM 0 HB3 CYS A 67 -3.221 -0.283 -6.968 1.00 60.10 H new ATOM 0 HG CYS A 67 -5.709 -0.836 -5.752 1.00 53.13 H new ATOM 954 N LEU A 68 0.089 -1.698 -5.818 1.00 53.11 N ATOM 955 CA LEU A 68 1.508 -1.273 -5.857 1.00 2.14 C ATOM 956 C LEU A 68 2.318 -2.217 -6.766 1.00 24.31 C ATOM 957 O LEU A 68 1.860 -3.323 -7.071 1.00 74.13 O ATOM 958 CB LEU A 68 2.078 -1.280 -4.410 1.00 21.21 C ATOM 959 CG LEU A 68 1.488 -0.201 -3.443 1.00 40.00 C ATOM 960 CD1 LEU A 68 1.755 -0.589 -1.977 1.00 44.30 C ATOM 961 CD2 LEU A 68 2.052 1.208 -3.764 1.00 54.44 C ATOM 0 H LEU A 68 -0.178 -2.146 -4.941 1.00 53.11 H new ATOM 0 HA LEU A 68 1.581 -0.265 -6.266 1.00 2.14 H new ATOM 0 HB2 LEU A 68 1.904 -2.264 -3.976 1.00 21.21 H new ATOM 0 HB3 LEU A 68 3.158 -1.141 -4.464 1.00 21.21 H new ATOM 0 HG LEU A 68 0.409 -0.162 -3.593 1.00 40.00 H new ATOM 0 HD11 LEU A 68 1.338 0.172 -1.317 1.00 44.30 H new ATOM 0 HD12 LEU A 68 1.287 -1.550 -1.764 1.00 44.30 H new ATOM 0 HD13 LEU A 68 2.830 -0.664 -1.810 1.00 44.30 H new ATOM 0 HD21 LEU A 68 1.624 1.937 -3.076 1.00 54.44 H new ATOM 0 HD22 LEU A 68 3.136 1.199 -3.655 1.00 54.44 H new ATOM 0 HD23 LEU A 68 1.792 1.479 -4.787 1.00 54.44 H new ATOM 973 N LEU A 69 3.509 -1.766 -7.205 1.00 24.52 N ATOM 974 CA LEU A 69 4.461 -2.596 -7.969 1.00 64.00 C ATOM 975 C LEU A 69 5.807 -2.651 -7.203 1.00 55.05 C ATOM 976 O LEU A 69 6.358 -1.586 -6.885 1.00 13.41 O ATOM 977 CB LEU A 69 4.669 -2.041 -9.411 1.00 43.44 C ATOM 978 CG LEU A 69 3.402 -1.990 -10.326 1.00 31.33 C ATOM 979 CD1 LEU A 69 3.739 -1.396 -11.715 1.00 34.42 C ATOM 980 CD2 LEU A 69 2.739 -3.383 -10.454 1.00 62.42 C ATOM 0 H LEU A 69 3.839 -0.815 -7.040 1.00 24.52 H new ATOM 0 HA LEU A 69 4.054 -3.602 -8.068 1.00 64.00 H new ATOM 0 HB2 LEU A 69 5.075 -1.033 -9.334 1.00 43.44 H new ATOM 0 HB3 LEU A 69 5.424 -2.652 -9.906 1.00 43.44 H new ATOM 0 HG LEU A 69 2.679 -1.328 -9.850 1.00 31.33 H new ATOM 0 HD11 LEU A 69 2.839 -1.373 -12.329 1.00 34.42 H new ATOM 0 HD12 LEU A 69 4.122 -0.383 -11.594 1.00 34.42 H new ATOM 0 HD13 LEU A 69 4.494 -2.013 -12.201 1.00 34.42 H new ATOM 0 HD21 LEU A 69 1.862 -3.311 -11.097 1.00 62.42 H new ATOM 0 HD22 LEU A 69 3.450 -4.086 -10.888 1.00 62.42 H new ATOM 0 HD23 LEU A 69 2.438 -3.735 -9.467 1.00 62.42 H new ATOM 992 N PRO A 70 6.348 -3.878 -6.842 1.00 71.12 N ATOM 993 CA PRO A 70 5.673 -5.190 -7.025 1.00 33.10 C ATOM 994 C PRO A 70 4.524 -5.395 -5.999 1.00 14.13 C ATOM 995 O PRO A 70 4.680 -5.012 -4.826 1.00 5.21 O ATOM 996 CB PRO A 70 6.819 -6.242 -6.832 1.00 1.12 C ATOM 997 CG PRO A 70 8.090 -5.439 -6.773 1.00 53.30 C ATOM 998 CD PRO A 70 7.690 -4.080 -6.238 1.00 4.02 C ATOM 0 HA PRO A 70 5.194 -5.275 -8.000 1.00 33.10 H new ATOM 0 HB2 PRO A 70 6.675 -6.817 -5.918 1.00 1.12 H new ATOM 0 HB3 PRO A 70 6.842 -6.954 -7.657 1.00 1.12 H new ATOM 0 HG2 PRO A 70 8.824 -5.915 -6.123 1.00 53.30 H new ATOM 0 HG3 PRO A 70 8.545 -5.353 -7.760 1.00 53.30 H new ATOM 0 HD2 PRO A 70 7.651 -4.068 -5.149 1.00 4.02 H new ATOM 0 HD3 PRO A 70 8.392 -3.303 -6.540 1.00 4.02 H new ATOM 1006 N PRO A 71 3.348 -5.968 -6.437 1.00 64.02 N ATOM 1007 CA PRO A 71 2.174 -6.176 -5.554 1.00 52.40 C ATOM 1008 C PRO A 71 2.512 -7.046 -4.325 1.00 73.45 C ATOM 1009 O PRO A 71 3.166 -8.093 -4.455 1.00 25.24 O ATOM 1010 CB PRO A 71 1.131 -6.870 -6.485 1.00 54.23 C ATOM 1011 CG PRO A 71 1.923 -7.416 -7.635 1.00 52.53 C ATOM 1012 CD PRO A 71 3.061 -6.442 -7.828 1.00 52.34 C ATOM 0 HA PRO A 71 1.806 -5.242 -5.129 1.00 52.40 H new ATOM 0 HB2 PRO A 71 0.603 -7.665 -5.959 1.00 54.23 H new ATOM 0 HB3 PRO A 71 0.378 -6.161 -6.828 1.00 54.23 H new ATOM 0 HG2 PRO A 71 2.294 -8.418 -7.418 1.00 52.53 H new ATOM 0 HG3 PRO A 71 1.312 -7.491 -8.534 1.00 52.53 H new ATOM 0 HD2 PRO A 71 3.930 -6.923 -8.277 1.00 52.34 H new ATOM 0 HD3 PRO A 71 2.779 -5.618 -8.484 1.00 52.34 H new ATOM 1020 N LEU A 72 2.046 -6.610 -3.146 1.00 41.03 N ATOM 1021 CA LEU A 72 2.333 -7.268 -1.868 1.00 0.23 C ATOM 1022 C LEU A 72 1.288 -8.368 -1.662 1.00 32.34 C ATOM 1023 O LEU A 72 0.092 -8.080 -1.595 1.00 50.04 O ATOM 1024 CB LEU A 72 2.287 -6.222 -0.714 1.00 13.14 C ATOM 1025 CG LEU A 72 3.176 -4.948 -0.919 1.00 40.13 C ATOM 1026 CD1 LEU A 72 3.091 -3.997 0.298 1.00 21.24 C ATOM 1027 CD2 LEU A 72 4.641 -5.328 -1.240 1.00 25.32 C ATOM 0 H LEU A 72 1.455 -5.784 -3.054 1.00 41.03 H new ATOM 0 HA LEU A 72 3.330 -7.709 -1.872 1.00 0.23 H new ATOM 0 HB2 LEU A 72 1.254 -5.904 -0.577 1.00 13.14 H new ATOM 0 HB3 LEU A 72 2.594 -6.713 0.210 1.00 13.14 H new ATOM 0 HG LEU A 72 2.782 -4.409 -1.781 1.00 40.13 H new ATOM 0 HD11 LEU A 72 3.720 -3.124 0.122 1.00 21.24 H new ATOM 0 HD12 LEU A 72 2.058 -3.678 0.439 1.00 21.24 H new ATOM 0 HD13 LEU A 72 3.435 -4.518 1.191 1.00 21.24 H new ATOM 0 HD21 LEU A 72 5.231 -4.421 -1.376 1.00 25.32 H new ATOM 0 HD22 LEU A 72 5.055 -5.909 -0.416 1.00 25.32 H new ATOM 0 HD23 LEU A 72 4.671 -5.921 -2.154 1.00 25.32 H new ATOM 1039 N THR A 73 1.743 -9.622 -1.595 1.00 12.11 N ATOM 1040 CA THR A 73 0.860 -10.799 -1.480 1.00 12.11 C ATOM 1041 C THR A 73 0.221 -10.898 -0.064 1.00 0.05 C ATOM 1042 O THR A 73 -0.792 -11.579 0.135 1.00 70.01 O ATOM 1043 CB THR A 73 1.673 -12.103 -1.814 1.00 4.21 C ATOM 1044 OG1 THR A 73 2.465 -11.882 -3.004 1.00 45.41 O ATOM 1045 CG2 THR A 73 0.775 -13.346 -2.043 1.00 42.25 C ATOM 0 H THR A 73 2.735 -9.856 -1.619 1.00 12.11 H new ATOM 0 HA THR A 73 0.045 -10.689 -2.196 1.00 12.11 H new ATOM 0 HB THR A 73 2.301 -12.309 -0.947 1.00 4.21 H new ATOM 0 HG1 THR A 73 2.974 -12.693 -3.213 1.00 45.41 H new ATOM 0 HG21 THR A 73 1.400 -14.210 -2.269 1.00 42.25 H new ATOM 0 HG22 THR A 73 0.193 -13.545 -1.143 1.00 42.25 H new ATOM 0 HG23 THR A 73 0.100 -13.158 -2.878 1.00 42.25 H new ATOM 1053 N SER A 74 0.805 -10.161 0.901 1.00 44.52 N ATOM 1054 CA SER A 74 0.433 -10.216 2.316 1.00 54.43 C ATOM 1055 C SER A 74 0.403 -8.796 2.913 1.00 50.15 C ATOM 1056 O SER A 74 1.167 -7.911 2.488 1.00 31.42 O ATOM 1057 CB SER A 74 1.432 -11.123 3.072 1.00 3.41 C ATOM 1058 OG SER A 74 2.773 -10.687 2.884 1.00 20.45 O ATOM 0 H SER A 74 1.560 -9.502 0.709 1.00 44.52 H new ATOM 0 HA SER A 74 -0.566 -10.639 2.418 1.00 54.43 H new ATOM 0 HB2 SER A 74 1.193 -11.123 4.136 1.00 3.41 H new ATOM 0 HB3 SER A 74 1.329 -12.150 2.723 1.00 3.41 H new ATOM 0 HG SER A 74 3.381 -11.278 3.375 1.00 20.45 H new ATOM 1064 N ILE A 75 -0.497 -8.603 3.887 1.00 73.41 N ATOM 1065 CA ILE A 75 -0.704 -7.325 4.595 1.00 50.13 C ATOM 1066 C ILE A 75 0.194 -7.295 5.861 1.00 2.33 C ATOM 1067 O ILE A 75 0.183 -8.261 6.633 1.00 63.24 O ATOM 1068 CB ILE A 75 -2.230 -7.160 4.981 1.00 53.24 C ATOM 1069 CG1 ILE A 75 -3.123 -7.268 3.698 1.00 14.33 C ATOM 1070 CG2 ILE A 75 -2.496 -5.827 5.740 1.00 44.31 C ATOM 1071 CD1 ILE A 75 -4.614 -7.289 3.959 1.00 14.12 C ATOM 0 H ILE A 75 -1.116 -9.345 4.214 1.00 73.41 H new ATOM 0 HA ILE A 75 -0.429 -6.494 3.946 1.00 50.13 H new ATOM 0 HB ILE A 75 -2.495 -7.969 5.662 1.00 53.24 H new ATOM 0 HG12 ILE A 75 -2.895 -6.427 3.043 1.00 14.33 H new ATOM 0 HG13 ILE A 75 -2.850 -8.175 3.159 1.00 14.33 H new ATOM 0 HG21 ILE A 75 -3.555 -5.754 5.986 1.00 44.31 H new ATOM 0 HG22 ILE A 75 -1.908 -5.807 6.658 1.00 44.31 H new ATOM 0 HG23 ILE A 75 -2.211 -4.986 5.108 1.00 44.31 H new ATOM 0 HD11 ILE A 75 -5.148 -7.365 3.012 1.00 14.12 H new ATOM 0 HD12 ILE A 75 -4.862 -8.146 4.586 1.00 14.12 H new ATOM 0 HD13 ILE A 75 -4.907 -6.371 4.468 1.00 14.12 H new ATOM 1083 N PRO A 76 1.008 -6.199 6.090 1.00 44.02 N ATOM 1084 CA PRO A 76 1.882 -6.066 7.305 1.00 32.10 C ATOM 1085 C PRO A 76 1.095 -5.875 8.630 1.00 63.25 C ATOM 1086 O PRO A 76 1.699 -5.877 9.712 1.00 32.24 O ATOM 1087 CB PRO A 76 2.755 -4.823 6.974 1.00 23.10 C ATOM 1088 CG PRO A 76 1.923 -4.019 6.024 1.00 23.24 C ATOM 1089 CD PRO A 76 1.180 -5.031 5.178 1.00 63.33 C ATOM 0 HA PRO A 76 2.456 -6.974 7.488 1.00 32.10 H new ATOM 0 HB2 PRO A 76 2.991 -4.254 7.873 1.00 23.10 H new ATOM 0 HB3 PRO A 76 3.703 -5.114 6.522 1.00 23.10 H new ATOM 0 HG2 PRO A 76 1.229 -3.372 6.561 1.00 23.24 H new ATOM 0 HG3 PRO A 76 2.547 -3.374 5.406 1.00 23.24 H new ATOM 0 HD2 PRO A 76 0.219 -4.642 4.841 1.00 63.33 H new ATOM 0 HD3 PRO A 76 1.746 -5.300 4.286 1.00 63.33 H new ATOM 1097 N LYS A 77 -0.250 -5.728 8.514 1.00 42.21 N ATOM 1098 CA LYS A 77 -1.213 -5.573 9.641 1.00 52.34 C ATOM 1099 C LYS A 77 -0.886 -4.424 10.635 1.00 43.53 C ATOM 1100 O LYS A 77 -1.490 -4.355 11.710 1.00 1.21 O ATOM 1101 CB LYS A 77 -1.376 -6.932 10.385 1.00 65.52 C ATOM 1102 CG LYS A 77 -1.926 -8.090 9.514 1.00 3.34 C ATOM 1103 CD LYS A 77 -2.059 -9.418 10.306 1.00 34.21 C ATOM 1104 CE LYS A 77 -2.668 -10.548 9.456 1.00 52.41 C ATOM 1105 NZ LYS A 77 -2.825 -11.816 10.219 1.00 32.54 N ATOM 0 H LYS A 77 -0.711 -5.713 7.604 1.00 42.21 H new ATOM 0 HA LYS A 77 -2.158 -5.275 9.187 1.00 52.34 H new ATOM 0 HB2 LYS A 77 -0.407 -7.228 10.788 1.00 65.52 H new ATOM 0 HB3 LYS A 77 -2.043 -6.787 11.235 1.00 65.52 H new ATOM 0 HG2 LYS A 77 -2.901 -7.809 9.116 1.00 3.34 H new ATOM 0 HG3 LYS A 77 -1.265 -8.244 8.661 1.00 3.34 H new ATOM 0 HD2 LYS A 77 -1.076 -9.725 10.664 1.00 34.21 H new ATOM 0 HD3 LYS A 77 -2.681 -9.253 11.186 1.00 34.21 H new ATOM 0 HE2 LYS A 77 -3.641 -10.231 9.080 1.00 52.41 H new ATOM 0 HE3 LYS A 77 -2.034 -10.727 8.588 1.00 52.41 H new ATOM 0 HZ1 LYS A 77 -3.239 -12.544 9.602 1.00 32.54 H new ATOM 0 HZ2 LYS A 77 -1.895 -12.136 10.556 1.00 32.54 H new ATOM 0 HZ3 LYS A 77 -3.452 -11.656 11.033 1.00 32.54 H new ATOM 1119 N GLY A 78 0.029 -3.511 10.273 1.00 23.23 N ATOM 1120 CA GLY A 78 0.414 -2.413 11.165 1.00 73.34 C ATOM 1121 C GLY A 78 1.237 -1.370 10.430 1.00 63.03 C ATOM 1122 O GLY A 78 0.800 -0.888 9.382 1.00 72.43 O ATOM 0 H GLY A 78 0.512 -3.513 9.374 1.00 23.23 H new ATOM 0 HA2 GLY A 78 -0.480 -1.948 11.580 1.00 73.34 H new ATOM 0 HA3 GLY A 78 0.987 -2.807 12.004 1.00 73.34 H new ATOM 1126 N GLU A 79 2.437 -1.048 10.958 1.00 23.50 N ATOM 1127 CA GLU A 79 3.328 -0.018 10.394 1.00 33.54 C ATOM 1128 C GLU A 79 3.811 -0.407 8.976 1.00 20.03 C ATOM 1129 O GLU A 79 4.670 -1.281 8.811 1.00 1.44 O ATOM 1130 CB GLU A 79 4.541 0.253 11.352 1.00 64.45 C ATOM 1131 CG GLU A 79 5.312 -1.009 11.822 1.00 33.33 C ATOM 1132 CD GLU A 79 6.613 -0.678 12.573 1.00 51.20 C ATOM 1133 OE1 GLU A 79 6.543 -0.298 13.763 1.00 44.53 O ATOM 1134 OE2 GLU A 79 7.709 -0.785 11.974 1.00 60.22 O ATOM 0 H GLU A 79 2.814 -1.499 11.791 1.00 23.50 H new ATOM 0 HA GLU A 79 2.757 0.906 10.303 1.00 33.54 H new ATOM 0 HB2 GLU A 79 5.241 0.918 10.846 1.00 64.45 H new ATOM 0 HB3 GLU A 79 4.176 0.784 12.231 1.00 64.45 H new ATOM 0 HG2 GLU A 79 4.666 -1.601 12.470 1.00 33.33 H new ATOM 0 HG3 GLU A 79 5.547 -1.627 10.956 1.00 33.33 H new ATOM 1141 N TRP A 80 3.188 0.200 7.951 1.00 70.32 N ATOM 1142 CA TRP A 80 3.654 0.121 6.571 1.00 70.30 C ATOM 1143 C TRP A 80 4.137 1.516 6.158 1.00 42.34 C ATOM 1144 O TRP A 80 3.554 2.524 6.562 1.00 30.43 O ATOM 1145 CB TRP A 80 2.515 -0.373 5.648 1.00 22.23 C ATOM 1146 CG TRP A 80 2.883 -0.368 4.183 1.00 13.31 C ATOM 1147 CD1 TRP A 80 3.666 -1.266 3.508 1.00 71.21 C ATOM 1148 CD2 TRP A 80 2.497 0.620 3.231 1.00 75.12 C ATOM 1149 NE1 TRP A 80 3.778 -0.888 2.192 1.00 21.10 N ATOM 1150 CE2 TRP A 80 3.058 0.265 2.000 1.00 31.02 C ATOM 1151 CE3 TRP A 80 1.713 1.769 3.318 1.00 64.50 C ATOM 1152 CZ2 TRP A 80 2.862 1.023 0.855 1.00 21.33 C ATOM 1153 CZ3 TRP A 80 1.513 2.522 2.181 1.00 43.11 C ATOM 1154 CH2 TRP A 80 2.093 2.148 0.962 1.00 31.31 C ATOM 0 H TRP A 80 2.343 0.760 8.066 1.00 70.32 H new ATOM 0 HA TRP A 80 4.473 -0.592 6.482 1.00 70.30 H new ATOM 0 HB2 TRP A 80 2.234 -1.385 5.941 1.00 22.23 H new ATOM 0 HB3 TRP A 80 1.638 0.257 5.797 1.00 22.23 H new ATOM 0 HD1 TRP A 80 4.126 -2.140 3.945 1.00 71.21 H new ATOM 0 HE1 TRP A 80 4.309 -1.383 1.475 1.00 21.10 H new ATOM 0 HE3 TRP A 80 1.271 2.064 4.258 1.00 64.50 H new ATOM 0 HZ2 TRP A 80 3.302 0.734 -0.088 1.00 21.33 H new ATOM 0 HZ3 TRP A 80 0.902 3.411 2.231 1.00 43.11 H new ATOM 0 HH2 TRP A 80 1.929 2.761 0.088 1.00 31.31 H new ATOM 1165 N LEU A 81 5.212 1.560 5.362 1.00 12.51 N ATOM 1166 CA LEU A 81 5.774 2.802 4.823 1.00 55.02 C ATOM 1167 C LEU A 81 5.698 2.756 3.298 1.00 51.24 C ATOM 1168 O LEU A 81 6.019 1.729 2.691 1.00 61.41 O ATOM 1169 CB LEU A 81 7.247 2.983 5.284 1.00 64.03 C ATOM 1170 CG LEU A 81 7.473 3.102 6.824 1.00 2.14 C ATOM 1171 CD1 LEU A 81 8.966 3.341 7.157 1.00 30.10 C ATOM 1172 CD2 LEU A 81 6.579 4.204 7.434 1.00 2.14 C ATOM 0 H LEU A 81 5.721 0.725 5.072 1.00 12.51 H new ATOM 0 HA LEU A 81 5.200 3.650 5.195 1.00 55.02 H new ATOM 0 HB2 LEU A 81 7.828 2.138 4.916 1.00 64.03 H new ATOM 0 HB3 LEU A 81 7.648 3.878 4.808 1.00 64.03 H new ATOM 0 HG LEU A 81 7.184 2.153 7.275 1.00 2.14 H new ATOM 0 HD11 LEU A 81 9.090 3.419 8.237 1.00 30.10 H new ATOM 0 HD12 LEU A 81 9.560 2.507 6.783 1.00 30.10 H new ATOM 0 HD13 LEU A 81 9.301 4.265 6.685 1.00 30.10 H new ATOM 0 HD21 LEU A 81 6.757 4.264 8.508 1.00 2.14 H new ATOM 0 HD22 LEU A 81 6.816 5.162 6.972 1.00 2.14 H new ATOM 0 HD23 LEU A 81 5.531 3.964 7.253 1.00 2.14 H new ATOM 1184 N CYS A 82 5.250 3.863 2.697 1.00 25.01 N ATOM 1185 CA CYS A 82 5.209 4.034 1.239 1.00 12.12 C ATOM 1186 C CYS A 82 6.643 4.097 0.656 1.00 20.31 C ATOM 1187 O CYS A 82 7.586 4.405 1.399 1.00 13.51 O ATOM 1188 CB CYS A 82 4.416 5.322 0.909 1.00 63.21 C ATOM 1189 SG CYS A 82 5.137 6.851 1.592 1.00 53.11 S ATOM 0 H CYS A 82 4.903 4.672 3.212 1.00 25.01 H new ATOM 0 HA CYS A 82 4.710 3.179 0.783 1.00 12.12 H new ATOM 0 HB2 CYS A 82 4.344 5.422 -0.174 1.00 63.21 H new ATOM 0 HB3 CYS A 82 3.399 5.214 1.287 1.00 63.21 H new ATOM 1194 N PRO A 83 6.843 3.780 -0.668 1.00 64.03 N ATOM 1195 CA PRO A 83 8.154 3.972 -1.352 1.00 10.42 C ATOM 1196 C PRO A 83 8.749 5.391 -1.145 1.00 70.23 C ATOM 1197 O PRO A 83 9.965 5.546 -1.051 1.00 72.14 O ATOM 1198 CB PRO A 83 7.812 3.710 -2.838 1.00 43.21 C ATOM 1199 CG PRO A 83 6.668 2.740 -2.794 1.00 13.12 C ATOM 1200 CD PRO A 83 5.841 3.149 -1.587 1.00 51.41 C ATOM 0 HA PRO A 83 8.924 3.310 -0.956 1.00 10.42 H new ATOM 0 HB2 PRO A 83 7.532 4.631 -3.349 1.00 43.21 H new ATOM 0 HB3 PRO A 83 8.665 3.294 -3.374 1.00 43.21 H new ATOM 0 HG2 PRO A 83 6.078 2.786 -3.709 1.00 13.12 H new ATOM 0 HG3 PRO A 83 7.025 1.715 -2.697 1.00 13.12 H new ATOM 0 HD2 PRO A 83 5.052 3.849 -1.861 1.00 51.41 H new ATOM 0 HD3 PRO A 83 5.357 2.289 -1.123 1.00 51.41 H new ATOM 1208 N ARG A 84 7.854 6.406 -1.035 1.00 72.30 N ATOM 1209 CA ARG A 84 8.229 7.819 -0.777 1.00 74.02 C ATOM 1210 C ARG A 84 8.937 7.977 0.584 1.00 22.11 C ATOM 1211 O ARG A 84 9.875 8.766 0.710 1.00 22.54 O ATOM 1212 CB ARG A 84 6.964 8.722 -0.837 1.00 4.35 C ATOM 1213 CG ARG A 84 7.231 10.239 -0.682 1.00 32.23 C ATOM 1214 CD ARG A 84 5.949 11.079 -0.790 1.00 22.42 C ATOM 1215 NE ARG A 84 5.239 10.863 -2.067 1.00 2.33 N ATOM 1216 CZ ARG A 84 5.391 11.604 -3.182 1.00 24.01 C ATOM 1217 NH1 ARG A 84 6.239 12.633 -3.211 1.00 52.21 N ATOM 1218 NH2 ARG A 84 4.686 11.302 -4.260 1.00 34.25 N ATOM 0 H ARG A 84 6.848 6.266 -1.123 1.00 72.30 H new ATOM 0 HA ARG A 84 8.930 8.130 -1.551 1.00 74.02 H new ATOM 0 HB2 ARG A 84 6.461 8.553 -1.789 1.00 4.35 H new ATOM 0 HB3 ARG A 84 6.275 8.408 -0.053 1.00 4.35 H new ATOM 0 HG2 ARG A 84 7.702 10.424 0.283 1.00 32.23 H new ATOM 0 HG3 ARG A 84 7.937 10.560 -1.448 1.00 32.23 H new ATOM 0 HD2 ARG A 84 5.285 10.831 0.038 1.00 22.42 H new ATOM 0 HD3 ARG A 84 6.201 12.135 -0.692 1.00 22.42 H new ATOM 0 HE ARG A 84 4.578 10.087 -2.108 1.00 2.33 H new ATOM 0 HH11 ARG A 84 6.784 12.869 -2.381 1.00 52.21 H new ATOM 0 HH12 ARG A 84 6.343 13.184 -4.063 1.00 52.21 H new ATOM 0 HH21 ARG A 84 4.036 10.516 -4.241 1.00 34.25 H new ATOM 0 HH22 ARG A 84 4.792 11.855 -5.110 1.00 34.25 H new ATOM 1232 N CYS A 85 8.477 7.207 1.603 1.00 73.43 N ATOM 1233 CA CYS A 85 9.090 7.218 2.957 1.00 52.12 C ATOM 1234 C CYS A 85 10.534 6.692 2.931 1.00 60.12 C ATOM 1235 O CYS A 85 11.382 7.126 3.714 1.00 45.02 O ATOM 1236 CB CYS A 85 8.255 6.389 3.940 1.00 41.13 C ATOM 1237 SG CYS A 85 6.576 6.991 4.153 1.00 3.43 S ATOM 0 H CYS A 85 7.684 6.571 1.513 1.00 73.43 H new ATOM 0 HA CYS A 85 9.110 8.255 3.291 1.00 52.12 H new ATOM 0 HB2 CYS A 85 8.219 5.357 3.591 1.00 41.13 H new ATOM 0 HB3 CYS A 85 8.754 6.381 4.909 1.00 41.13 H new ATOM 0 HG CYS A 85 5.799 6.431 3.274 1.00 3.43 H new ATOM 1242 N VAL A 86 10.784 5.750 2.014 1.00 24.11 N ATOM 1243 CA VAL A 86 12.109 5.152 1.808 1.00 74.32 C ATOM 1244 C VAL A 86 13.034 6.127 1.027 1.00 62.44 C ATOM 1245 O VAL A 86 14.228 6.208 1.313 1.00 5.52 O ATOM 1246 CB VAL A 86 11.990 3.775 1.054 1.00 22.02 C ATOM 1247 CG1 VAL A 86 13.359 3.063 0.944 1.00 61.11 C ATOM 1248 CG2 VAL A 86 10.925 2.859 1.714 1.00 44.23 C ATOM 0 H VAL A 86 10.068 5.379 1.390 1.00 24.11 H new ATOM 0 HA VAL A 86 12.554 4.966 2.785 1.00 74.32 H new ATOM 0 HB VAL A 86 11.656 3.989 0.039 1.00 22.02 H new ATOM 0 HG11 VAL A 86 13.236 2.117 0.418 1.00 61.11 H new ATOM 0 HG12 VAL A 86 14.055 3.696 0.394 1.00 61.11 H new ATOM 0 HG13 VAL A 86 13.752 2.874 1.943 1.00 61.11 H new ATOM 0 HG21 VAL A 86 10.868 1.917 1.169 1.00 44.23 H new ATOM 0 HG22 VAL A 86 11.205 2.663 2.749 1.00 44.23 H new ATOM 0 HG23 VAL A 86 9.954 3.353 1.688 1.00 44.23 H new ATOM 1258 N VAL A 87 12.446 6.867 0.054 1.00 55.25 N ATOM 1259 CA VAL A 87 13.168 7.891 -0.746 1.00 64.31 C ATOM 1260 C VAL A 87 13.662 9.045 0.146 1.00 40.22 C ATOM 1261 O VAL A 87 14.853 9.389 0.129 1.00 34.30 O ATOM 1262 CB VAL A 87 12.275 8.466 -1.925 1.00 3.13 C ATOM 1263 CG1 VAL A 87 12.986 9.624 -2.685 1.00 64.15 C ATOM 1264 CG2 VAL A 87 11.870 7.341 -2.911 1.00 64.25 C ATOM 0 H VAL A 87 11.462 6.772 -0.198 1.00 55.25 H new ATOM 0 HA VAL A 87 14.029 7.391 -1.189 1.00 64.31 H new ATOM 0 HB VAL A 87 11.373 8.876 -1.471 1.00 3.13 H new ATOM 0 HG11 VAL A 87 12.338 9.987 -3.483 1.00 64.15 H new ATOM 0 HG12 VAL A 87 13.198 10.438 -1.992 1.00 64.15 H new ATOM 0 HG13 VAL A 87 13.920 9.259 -3.113 1.00 64.15 H new ATOM 0 HG21 VAL A 87 11.258 7.760 -3.710 1.00 64.25 H new ATOM 0 HG22 VAL A 87 12.766 6.891 -3.338 1.00 64.25 H new ATOM 0 HG23 VAL A 87 11.300 6.579 -2.379 1.00 64.25 H new ATOM 1274 N GLU A 88 12.741 9.607 0.948 1.00 22.12 N ATOM 1275 CA GLU A 88 13.058 10.711 1.879 1.00 2.14 C ATOM 1276 C GLU A 88 13.942 10.223 3.049 1.00 72.20 C ATOM 1277 O GLU A 88 14.499 11.046 3.784 1.00 64.43 O ATOM 1278 CB GLU A 88 11.755 11.345 2.437 1.00 44.02 C ATOM 1279 CG GLU A 88 10.984 10.447 3.424 1.00 45.52 C ATOM 1280 CD GLU A 88 9.654 11.054 3.876 1.00 51.31 C ATOM 1281 OE1 GLU A 88 8.671 10.960 3.111 1.00 12.54 O ATOM 1282 OE2 GLU A 88 9.581 11.618 4.992 1.00 65.34 O ATOM 0 H GLU A 88 11.764 9.314 0.972 1.00 22.12 H new ATOM 0 HA GLU A 88 13.612 11.464 1.319 1.00 2.14 H new ATOM 0 HB2 GLU A 88 12.005 12.281 2.936 1.00 44.02 H new ATOM 0 HB3 GLU A 88 11.100 11.594 1.602 1.00 44.02 H new ATOM 0 HG2 GLU A 88 10.795 9.481 2.955 1.00 45.52 H new ATOM 0 HG3 GLU A 88 11.607 10.260 4.299 1.00 45.52 H new ATOM 1289 N GLU A 89 14.007 8.872 3.203 1.00 52.22 N ATOM 1290 CA GLU A 89 14.781 8.153 4.237 1.00 3.22 C ATOM 1291 C GLU A 89 14.052 8.193 5.594 1.00 70.51 C ATOM 1292 O GLU A 89 13.408 9.190 5.934 1.00 21.34 O ATOM 1293 CB GLU A 89 16.256 8.672 4.362 1.00 43.24 C ATOM 1294 CG GLU A 89 17.153 7.887 5.347 1.00 12.35 C ATOM 1295 CD GLU A 89 17.402 6.432 4.910 1.00 30.25 C ATOM 1296 OE1 GLU A 89 16.560 5.551 5.200 1.00 42.12 O ATOM 1297 OE2 GLU A 89 18.445 6.160 4.272 1.00 5.10 O ATOM 0 H GLU A 89 13.502 8.237 2.585 1.00 52.22 H new ATOM 0 HA GLU A 89 14.850 7.114 3.916 1.00 3.22 H new ATOM 0 HB2 GLU A 89 16.718 8.644 3.375 1.00 43.24 H new ATOM 0 HB3 GLU A 89 16.231 9.716 4.673 1.00 43.24 H new ATOM 0 HG2 GLU A 89 18.110 8.399 5.445 1.00 12.35 H new ATOM 0 HG3 GLU A 89 16.688 7.889 6.333 1.00 12.35 H new ATOM 1304 N VAL A 90 14.143 7.086 6.354 1.00 74.11 N ATOM 1305 CA VAL A 90 13.624 7.019 7.727 1.00 71.40 C ATOM 1306 C VAL A 90 14.629 7.714 8.658 1.00 30.43 C ATOM 1307 O VAL A 90 15.804 7.327 8.689 1.00 53.11 O ATOM 1308 CB VAL A 90 13.372 5.534 8.185 1.00 44.44 C ATOM 1309 CG1 VAL A 90 12.736 5.487 9.599 1.00 13.24 C ATOM 1310 CG2 VAL A 90 12.505 4.782 7.142 1.00 5.20 C ATOM 0 H VAL A 90 14.576 6.220 6.034 1.00 74.11 H new ATOM 0 HA VAL A 90 12.660 7.526 7.770 1.00 71.40 H new ATOM 0 HB VAL A 90 14.334 5.025 8.247 1.00 44.44 H new ATOM 0 HG11 VAL A 90 12.573 4.449 9.890 1.00 13.24 H new ATOM 0 HG12 VAL A 90 13.405 5.964 10.315 1.00 13.24 H new ATOM 0 HG13 VAL A 90 11.782 6.015 9.587 1.00 13.24 H new ATOM 0 HG21 VAL A 90 12.341 3.757 7.476 1.00 5.20 H new ATOM 0 HG22 VAL A 90 11.545 5.287 7.035 1.00 5.20 H new ATOM 0 HG23 VAL A 90 13.019 4.773 6.181 1.00 5.20 H new ATOM 1320 N SER A 91 14.167 8.753 9.374 1.00 65.24 N ATOM 1321 CA SER A 91 15.031 9.585 10.226 1.00 15.31 C ATOM 1322 C SER A 91 15.659 8.752 11.370 1.00 53.24 C ATOM 1323 O SER A 91 14.941 8.199 12.209 1.00 11.15 O ATOM 1324 CB SER A 91 14.230 10.783 10.797 1.00 2.12 C ATOM 1325 OG SER A 91 15.071 11.694 11.490 1.00 73.41 O ATOM 0 H SER A 91 13.188 9.038 9.378 1.00 65.24 H new ATOM 0 HA SER A 91 15.844 9.970 9.611 1.00 15.31 H new ATOM 0 HB2 SER A 91 13.723 11.302 9.984 1.00 2.12 H new ATOM 0 HB3 SER A 91 13.457 10.416 11.472 1.00 2.12 H new ATOM 0 HG SER A 91 14.534 12.437 11.835 1.00 73.41 H new ATOM 1331 N LYS A 92 17.000 8.654 11.364 1.00 45.34 N ATOM 1332 CA LYS A 92 17.780 7.933 12.387 1.00 22.04 C ATOM 1333 C LYS A 92 19.149 8.616 12.578 1.00 53.32 C ATOM 1334 O LYS A 92 19.624 9.303 11.662 1.00 52.20 O ATOM 1335 CB LYS A 92 17.980 6.442 11.973 1.00 0.51 C ATOM 1336 CG LYS A 92 18.732 6.229 10.636 1.00 12.54 C ATOM 1337 CD LYS A 92 19.059 4.739 10.329 1.00 34.23 C ATOM 1338 CE LYS A 92 20.269 4.179 11.115 1.00 51.24 C ATOM 1339 NZ LYS A 92 20.026 4.076 12.584 1.00 51.31 N ATOM 0 H LYS A 92 17.580 9.078 10.640 1.00 45.34 H new ATOM 0 HA LYS A 92 17.231 7.960 13.328 1.00 22.04 H new ATOM 0 HB2 LYS A 92 18.527 5.931 12.765 1.00 0.51 H new ATOM 0 HB3 LYS A 92 17.002 5.966 11.902 1.00 0.51 H new ATOM 0 HG2 LYS A 92 18.130 6.634 9.823 1.00 12.54 H new ATOM 0 HG3 LYS A 92 19.661 6.798 10.658 1.00 12.54 H new ATOM 0 HD2 LYS A 92 18.182 4.133 10.554 1.00 34.23 H new ATOM 0 HD3 LYS A 92 19.254 4.634 9.262 1.00 34.23 H new ATOM 0 HE2 LYS A 92 20.520 3.192 10.726 1.00 51.24 H new ATOM 0 HE3 LYS A 92 21.134 4.820 10.941 1.00 51.24 H new ATOM 0 HZ1 LYS A 92 20.581 3.287 12.973 1.00 51.31 H new ATOM 0 HZ2 LYS A 92 20.312 4.962 13.046 1.00 51.31 H new ATOM 0 HZ3 LYS A 92 19.015 3.906 12.758 1.00 51.31 H new ATOM 1353 N PRO A 93 19.797 8.463 13.774 1.00 43.24 N ATOM 1354 CA PRO A 93 21.200 8.882 13.960 1.00 53.10 C ATOM 1355 C PRO A 93 22.168 8.035 13.108 1.00 34.23 C ATOM 1356 O PRO A 93 21.846 6.897 12.718 1.00 11.15 O ATOM 1357 CB PRO A 93 21.449 8.679 15.478 1.00 13.14 C ATOM 1358 CG PRO A 93 20.432 7.666 15.903 1.00 53.03 C ATOM 1359 CD PRO A 93 19.217 7.924 15.037 1.00 13.24 C ATOM 0 HA PRO A 93 21.373 9.909 13.640 1.00 53.10 H new ATOM 0 HB2 PRO A 93 22.462 8.325 15.668 1.00 13.14 H new ATOM 0 HB3 PRO A 93 21.329 9.613 16.026 1.00 13.14 H new ATOM 0 HG2 PRO A 93 20.806 6.652 15.762 1.00 53.03 H new ATOM 0 HG3 PRO A 93 20.190 7.773 16.960 1.00 53.03 H new ATOM 0 HD2 PRO A 93 18.649 7.011 14.860 1.00 13.24 H new ATOM 0 HD3 PRO A 93 18.537 8.637 15.502 1.00 13.24 H new ATOM 1367 N GLN A 94 23.332 8.621 12.801 1.00 54.34 N ATOM 1368 CA GLN A 94 24.411 7.946 12.065 1.00 51.20 C ATOM 1369 C GLN A 94 25.203 7.038 13.041 1.00 50.01 C ATOM 1370 O GLN A 94 24.894 5.831 13.127 1.00 2.31 O ATOM 1371 CB GLN A 94 25.340 8.995 11.372 1.00 62.32 C ATOM 1372 CG GLN A 94 24.639 9.903 10.334 1.00 24.34 C ATOM 1373 CD GLN A 94 25.555 10.996 9.754 1.00 0.02 C ATOM 1374 OE1 GLN A 94 26.485 11.477 10.417 1.00 41.24 O ATOM 1375 NE2 GLN A 94 25.307 11.401 8.516 1.00 24.22 N ATOM 1376 OXT GLN A 94 26.103 7.546 13.748 1.00 37.84 O ATOM 0 H GLN A 94 23.554 9.583 13.057 1.00 54.34 H new ATOM 0 HA GLN A 94 23.986 7.322 11.279 1.00 51.20 H new ATOM 0 HB2 GLN A 94 25.788 9.625 12.140 1.00 62.32 H new ATOM 0 HB3 GLN A 94 26.155 8.466 10.878 1.00 62.32 H new ATOM 0 HG2 GLN A 94 24.263 9.285 9.518 1.00 24.34 H new ATOM 0 HG3 GLN A 94 23.775 10.375 10.801 1.00 24.34 H new ATOM 0 HE21 GLN A 94 24.536 10.990 7.990 1.00 24.22 H new ATOM 0 HE22 GLN A 94 25.887 12.123 8.090 1.00 24.22 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -6.599 -1.180 -5.596 1.00 34.04 ZN HETATM 1387 ZN ZN A 102 5.189 7.921 3.253 1.00 51.52 ZN