USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc=-0.00107 X(o=-0.0011,f=-0.094) USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0694 (180deg=-0.286) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0898 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.916 K(o=-0.92,f=-0.068) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -154:sc= 0 (180deg=-1) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.0427 USER MOD Single : A 29 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.8!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.0068) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0523) USER MOD Single : A 37 SER OG : rot 76:sc= 1.14 USER MOD Single : A 38 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.21) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.35) USER MOD Single : A 47 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc=-0.00436 (180deg=-0.0694) USER MOD Single : A 58 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.72) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.152 (180deg=-0.152) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0649 USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= -0.0965 (180deg=-0.434) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -67.567 -88.561 -51.333 1.00 73.21 N ATOM 2 CA MET A 1 -66.803 -87.573 -52.136 1.00 51.03 C ATOM 3 C MET A 1 -66.919 -86.173 -51.507 1.00 51.52 C ATOM 4 O MET A 1 -67.771 -85.939 -50.636 1.00 63.14 O ATOM 5 CB MET A 1 -67.287 -87.533 -53.615 1.00 13.04 C ATOM 6 CG MET A 1 -67.165 -88.864 -54.374 1.00 21.23 C ATOM 7 SD MET A 1 -67.506 -88.698 -56.145 1.00 63.41 S ATOM 8 CE MET A 1 -69.138 -87.952 -56.160 1.00 34.20 C ATOM 0 H1 MET A 1 -66.925 -89.309 -51.002 1.00 73.21 H new ATOM 0 H2 MET A 1 -67.996 -88.085 -50.514 1.00 73.21 H new ATOM 0 H3 MET A 1 -68.315 -88.981 -51.920 1.00 73.21 H new ATOM 0 HA MET A 1 -65.759 -87.886 -52.135 1.00 51.03 H new ATOM 0 HB2 MET A 1 -68.330 -87.217 -53.632 1.00 13.04 H new ATOM 0 HB3 MET A 1 -66.715 -86.774 -54.148 1.00 13.04 H new ATOM 0 HG2 MET A 1 -66.160 -89.263 -54.238 1.00 21.23 H new ATOM 0 HG3 MET A 1 -67.856 -89.588 -53.942 1.00 21.23 H new ATOM 0 HE1 MET A 1 -69.541 -87.978 -57.173 1.00 34.20 H new ATOM 0 HE2 MET A 1 -69.798 -88.507 -55.493 1.00 34.20 H new ATOM 0 HE3 MET A 1 -69.068 -86.918 -55.824 1.00 34.20 H new ATOM 20 N GLY A 2 -66.048 -85.260 -51.955 1.00 22.44 N ATOM 21 CA GLY A 2 -66.042 -83.876 -51.486 1.00 0.40 C ATOM 22 C GLY A 2 -64.627 -83.316 -51.463 1.00 11.15 C ATOM 23 O GLY A 2 -64.238 -82.564 -52.365 1.00 40.10 O ATOM 0 H GLY A 2 -65.331 -85.463 -52.651 1.00 22.44 H new ATOM 0 HA2 GLY A 2 -66.669 -83.265 -52.136 1.00 0.40 H new ATOM 0 HA3 GLY A 2 -66.474 -83.825 -50.487 1.00 0.40 H new ATOM 27 N HIS A 3 -63.851 -83.755 -50.449 1.00 61.02 N ATOM 28 CA HIS A 3 -62.452 -83.343 -50.203 1.00 71.11 C ATOM 29 C HIS A 3 -62.334 -81.817 -49.989 1.00 41.54 C ATOM 30 O HIS A 3 -62.344 -81.035 -50.951 1.00 33.20 O ATOM 31 CB HIS A 3 -61.500 -83.849 -51.330 1.00 10.41 C ATOM 32 CG HIS A 3 -60.072 -83.381 -51.199 1.00 25.33 C ATOM 33 ND1 HIS A 3 -59.254 -83.757 -50.157 1.00 62.22 N ATOM 34 CD2 HIS A 3 -59.334 -82.542 -51.963 1.00 40.05 C ATOM 35 CE1 HIS A 3 -58.086 -83.162 -50.279 1.00 22.24 C ATOM 36 NE2 HIS A 3 -58.107 -82.426 -51.372 1.00 71.13 N ATOM 0 H HIS A 3 -64.190 -84.425 -49.759 1.00 61.02 H new ATOM 0 HA HIS A 3 -62.132 -83.818 -49.276 1.00 71.11 H new ATOM 0 HB2 HIS A 3 -61.513 -84.939 -51.337 1.00 10.41 H new ATOM 0 HB3 HIS A 3 -61.890 -83.520 -52.293 1.00 10.41 H new ATOM 0 HD2 HIS A 3 -59.655 -82.054 -52.872 1.00 40.05 H new ATOM 0 HE1 HIS A 3 -57.253 -83.260 -49.599 1.00 22.24 H new ATOM 0 HE2 HIS A 3 -57.333 -81.861 -51.721 1.00 71.13 H new ATOM 45 N HIS A 4 -62.219 -81.409 -48.715 1.00 4.13 N ATOM 46 CA HIS A 4 -62.089 -79.997 -48.328 1.00 62.34 C ATOM 47 C HIS A 4 -61.164 -79.876 -47.100 1.00 5.12 C ATOM 48 O HIS A 4 -61.389 -80.529 -46.075 1.00 22.40 O ATOM 49 CB HIS A 4 -63.490 -79.365 -48.073 1.00 64.42 C ATOM 50 CG HIS A 4 -64.344 -80.070 -47.035 1.00 51.43 C ATOM 51 ND1 HIS A 4 -65.025 -81.240 -47.296 1.00 12.12 N ATOM 52 CD2 HIS A 4 -64.651 -79.747 -45.750 1.00 44.54 C ATOM 53 CE1 HIS A 4 -65.700 -81.605 -46.223 1.00 3.35 C ATOM 54 NE2 HIS A 4 -65.488 -80.718 -45.273 1.00 31.35 N ATOM 0 H HIS A 4 -62.214 -82.052 -47.923 1.00 4.13 H new ATOM 0 HA HIS A 4 -61.634 -79.438 -49.145 1.00 62.34 H new ATOM 0 HB2 HIS A 4 -63.351 -78.330 -47.762 1.00 64.42 H new ATOM 0 HB3 HIS A 4 -64.037 -79.344 -49.015 1.00 64.42 H new ATOM 0 HD2 HIS A 4 -64.299 -78.883 -45.206 1.00 44.54 H new ATOM 0 HE1 HIS A 4 -66.322 -82.484 -46.138 1.00 3.35 H new ATOM 0 HE2 HIS A 4 -65.884 -80.750 -44.334 1.00 31.35 H new ATOM 63 N HIS A 5 -60.111 -79.048 -47.225 1.00 74.42 N ATOM 64 CA HIS A 5 -59.123 -78.817 -46.154 1.00 52.12 C ATOM 65 C HIS A 5 -58.981 -77.306 -45.919 1.00 2.31 C ATOM 66 O HIS A 5 -58.399 -76.595 -46.749 1.00 33.02 O ATOM 67 CB HIS A 5 -57.747 -79.439 -46.523 1.00 54.52 C ATOM 68 CG HIS A 5 -56.716 -79.371 -45.414 1.00 2.34 C ATOM 69 ND1 HIS A 5 -55.820 -78.329 -45.268 1.00 14.21 N ATOM 70 CD2 HIS A 5 -56.446 -80.227 -44.396 1.00 21.24 C ATOM 71 CE1 HIS A 5 -55.059 -78.550 -44.215 1.00 31.24 C ATOM 72 NE2 HIS A 5 -55.420 -79.690 -43.670 1.00 52.21 N ATOM 0 H HIS A 5 -59.920 -78.518 -48.075 1.00 74.42 H new ATOM 0 HA HIS A 5 -59.470 -79.299 -45.240 1.00 52.12 H new ATOM 0 HB2 HIS A 5 -57.896 -80.482 -46.802 1.00 54.52 H new ATOM 0 HB3 HIS A 5 -57.354 -78.927 -47.401 1.00 54.52 H new ATOM 0 HD2 HIS A 5 -56.950 -81.161 -44.196 1.00 21.24 H new ATOM 0 HE1 HIS A 5 -54.271 -77.903 -43.860 1.00 31.24 H new ATOM 0 HE2 HIS A 5 -55.002 -80.107 -42.839 1.00 52.21 H new ATOM 81 N HIS A 6 -59.547 -76.820 -44.807 1.00 42.22 N ATOM 82 CA HIS A 6 -59.445 -75.415 -44.391 1.00 22.23 C ATOM 83 C HIS A 6 -58.564 -75.335 -43.141 1.00 14.25 C ATOM 84 O HIS A 6 -58.866 -75.969 -42.123 1.00 22.52 O ATOM 85 CB HIS A 6 -60.850 -74.825 -44.107 1.00 64.32 C ATOM 86 CG HIS A 6 -60.847 -73.372 -43.703 1.00 1.33 C ATOM 87 ND1 HIS A 6 -60.807 -72.340 -44.615 1.00 4.31 N ATOM 88 CD2 HIS A 6 -60.871 -72.781 -42.485 1.00 54.14 C ATOM 89 CE1 HIS A 6 -60.799 -71.190 -43.976 1.00 4.32 C ATOM 90 NE2 HIS A 6 -60.840 -71.431 -42.685 1.00 2.44 N ATOM 0 H HIS A 6 -60.093 -77.395 -44.166 1.00 42.22 H new ATOM 0 HA HIS A 6 -58.997 -74.829 -45.193 1.00 22.23 H new ATOM 0 HB2 HIS A 6 -61.466 -74.940 -44.999 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -61.322 -75.408 -43.316 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -60.908 -73.285 -41.531 1.00 54.14 H new ATOM 0 HE1 HIS A 6 -60.765 -70.213 -44.435 1.00 4.32 H new ATOM 0 HE2 HIS A 6 -60.847 -70.723 -41.950 1.00 2.44 H new ATOM 99 N HIS A 7 -57.480 -74.562 -43.239 1.00 4.23 N ATOM 100 CA HIS A 7 -56.523 -74.330 -42.153 1.00 33.01 C ATOM 101 C HIS A 7 -55.778 -73.018 -42.441 1.00 62.30 C ATOM 102 O HIS A 7 -54.992 -72.936 -43.395 1.00 0.13 O ATOM 103 CB HIS A 7 -55.536 -75.522 -42.034 1.00 22.30 C ATOM 104 CG HIS A 7 -54.576 -75.421 -40.874 1.00 62.23 C ATOM 105 ND1 HIS A 7 -54.895 -75.840 -39.600 1.00 50.13 N ATOM 106 CD2 HIS A 7 -53.310 -74.941 -40.794 1.00 1.54 C ATOM 107 CE1 HIS A 7 -53.877 -75.617 -38.796 1.00 40.54 C ATOM 108 NE2 HIS A 7 -52.907 -75.075 -39.494 1.00 61.31 N ATOM 0 H HIS A 7 -57.237 -74.067 -44.097 1.00 4.23 H new ATOM 0 HA HIS A 7 -57.047 -74.249 -41.200 1.00 33.01 H new ATOM 0 HB2 HIS A 7 -56.109 -76.444 -41.937 1.00 22.30 H new ATOM 0 HB3 HIS A 7 -54.964 -75.598 -42.958 1.00 22.30 H new ATOM 0 HD2 HIS A 7 -52.728 -74.530 -41.606 1.00 1.54 H new ATOM 0 HE1 HIS A 7 -53.845 -75.842 -37.740 1.00 40.54 H new ATOM 0 HE2 HIS A 7 -51.997 -74.798 -39.126 1.00 61.31 H new ATOM 117 N HIS A 8 -56.054 -71.990 -41.634 1.00 75.21 N ATOM 118 CA HIS A 8 -55.420 -70.663 -41.755 1.00 53.12 C ATOM 119 C HIS A 8 -54.832 -70.259 -40.398 1.00 10.54 C ATOM 120 O HIS A 8 -55.454 -70.501 -39.350 1.00 31.43 O ATOM 121 CB HIS A 8 -56.455 -69.612 -42.248 1.00 34.42 C ATOM 122 CG HIS A 8 -55.888 -68.226 -42.416 1.00 14.41 C ATOM 123 ND1 HIS A 8 -55.934 -67.272 -41.424 1.00 20.24 N ATOM 124 CD2 HIS A 8 -55.244 -67.646 -43.456 1.00 71.04 C ATOM 125 CE1 HIS A 8 -55.335 -66.180 -41.840 1.00 72.01 C ATOM 126 NE2 HIS A 8 -54.910 -66.379 -43.070 1.00 42.42 N ATOM 0 H HIS A 8 -56.728 -72.050 -40.871 1.00 75.21 H new ATOM 0 HA HIS A 8 -54.616 -70.708 -42.490 1.00 53.12 H new ATOM 0 HB2 HIS A 8 -56.868 -69.943 -43.201 1.00 34.42 H new ATOM 0 HB3 HIS A 8 -57.282 -69.572 -41.539 1.00 34.42 H new ATOM 0 HD2 HIS A 8 -55.033 -68.100 -44.413 1.00 71.04 H new ATOM 0 HE1 HIS A 8 -55.212 -65.272 -41.269 1.00 72.01 H new ATOM 0 HE2 HIS A 8 -54.412 -65.697 -43.642 1.00 42.42 H new ATOM 135 N SER A 9 -53.635 -69.641 -40.432 1.00 3.50 N ATOM 136 CA SER A 9 -52.924 -69.201 -39.229 1.00 11.51 C ATOM 137 C SER A 9 -53.652 -68.007 -38.577 1.00 75.41 C ATOM 138 O SER A 9 -53.671 -66.895 -39.121 1.00 54.31 O ATOM 139 CB SER A 9 -51.456 -68.834 -39.562 1.00 51.45 C ATOM 140 OG SER A 9 -50.731 -68.483 -38.390 1.00 33.22 O ATOM 0 H SER A 9 -53.138 -69.435 -41.299 1.00 3.50 H new ATOM 0 HA SER A 9 -52.913 -70.026 -38.517 1.00 11.51 H new ATOM 0 HB2 SER A 9 -50.971 -69.678 -40.053 1.00 51.45 H new ATOM 0 HB3 SER A 9 -51.438 -68.002 -40.266 1.00 51.45 H new ATOM 0 HG SER A 9 -49.808 -68.258 -38.631 1.00 33.22 H new ATOM 146 N HIS A 10 -54.289 -68.269 -37.423 1.00 20.01 N ATOM 147 CA HIS A 10 -54.983 -67.248 -36.625 1.00 74.23 C ATOM 148 C HIS A 10 -53.967 -66.548 -35.709 1.00 23.50 C ATOM 149 O HIS A 10 -53.708 -66.999 -34.581 1.00 24.42 O ATOM 150 CB HIS A 10 -56.138 -67.881 -35.797 1.00 2.14 C ATOM 151 CG HIS A 10 -57.095 -68.705 -36.614 1.00 13.15 C ATOM 152 ND1 HIS A 10 -57.963 -68.156 -37.528 1.00 1.52 N ATOM 153 CD2 HIS A 10 -57.297 -70.045 -36.669 1.00 61.31 C ATOM 154 CE1 HIS A 10 -58.647 -69.117 -38.108 1.00 32.21 C ATOM 155 NE2 HIS A 10 -58.266 -70.272 -37.607 1.00 12.50 N ATOM 0 H HIS A 10 -54.336 -69.203 -37.016 1.00 20.01 H new ATOM 0 HA HIS A 10 -55.429 -66.511 -37.293 1.00 74.23 H new ATOM 0 HB2 HIS A 10 -55.710 -68.509 -35.015 1.00 2.14 H new ATOM 0 HB3 HIS A 10 -56.693 -67.086 -35.299 1.00 2.14 H new ATOM 0 HD2 HIS A 10 -56.787 -70.794 -36.081 1.00 61.31 H new ATOM 0 HE1 HIS A 10 -59.399 -68.981 -38.871 1.00 32.21 H new ATOM 0 HE2 HIS A 10 -58.633 -71.186 -37.874 1.00 12.50 H new ATOM 164 N MET A 11 -53.345 -65.487 -36.238 1.00 51.03 N ATOM 165 CA MET A 11 -52.375 -64.666 -35.501 1.00 34.21 C ATOM 166 C MET A 11 -52.286 -63.292 -36.191 1.00 53.41 C ATOM 167 O MET A 11 -51.613 -63.163 -37.226 1.00 21.10 O ATOM 168 CB MET A 11 -50.980 -65.375 -35.430 1.00 50.54 C ATOM 169 CG MET A 11 -49.931 -64.677 -34.532 1.00 22.03 C ATOM 170 SD MET A 11 -49.343 -63.096 -35.191 1.00 11.15 S ATOM 171 CE MET A 11 -48.304 -62.498 -33.860 1.00 71.13 C ATOM 0 H MET A 11 -53.501 -65.172 -37.195 1.00 51.03 H new ATOM 0 HA MET A 11 -52.703 -64.530 -34.471 1.00 34.21 H new ATOM 0 HB2 MET A 11 -51.126 -66.393 -35.067 1.00 50.54 H new ATOM 0 HB3 MET A 11 -50.577 -65.451 -36.440 1.00 50.54 H new ATOM 0 HG2 MET A 11 -50.364 -64.511 -33.545 1.00 22.03 H new ATOM 0 HG3 MET A 11 -49.079 -65.344 -34.398 1.00 22.03 H new ATOM 0 HE1 MET A 11 -47.879 -61.533 -34.136 1.00 71.13 H new ATOM 0 HE2 MET A 11 -48.901 -62.387 -32.955 1.00 71.13 H new ATOM 0 HE3 MET A 11 -47.499 -63.210 -33.679 1.00 71.13 H new ATOM 181 N PRO A 12 -53.024 -62.253 -35.677 1.00 34.21 N ATOM 182 CA PRO A 12 -52.890 -60.866 -36.171 1.00 23.22 C ATOM 183 C PRO A 12 -51.569 -60.232 -35.681 1.00 25.30 C ATOM 184 O PRO A 12 -51.233 -60.306 -34.490 1.00 2.31 O ATOM 185 CB PRO A 12 -54.135 -60.153 -35.580 1.00 61.35 C ATOM 186 CG PRO A 12 -54.460 -60.919 -34.326 1.00 3.25 C ATOM 187 CD PRO A 12 -54.063 -62.361 -34.607 1.00 54.25 C ATOM 0 HA PRO A 12 -52.850 -60.794 -37.258 1.00 23.22 H new ATOM 0 HB2 PRO A 12 -53.924 -59.106 -35.360 1.00 61.35 H new ATOM 0 HB3 PRO A 12 -54.970 -60.170 -36.281 1.00 61.35 H new ATOM 0 HG2 PRO A 12 -53.912 -60.522 -33.472 1.00 3.25 H new ATOM 0 HG3 PRO A 12 -55.521 -60.845 -34.086 1.00 3.25 H new ATOM 0 HD2 PRO A 12 -53.667 -62.846 -33.715 1.00 54.25 H new ATOM 0 HD3 PRO A 12 -54.917 -62.952 -34.939 1.00 54.25 H new ATOM 195 N ASN A 13 -50.814 -59.629 -36.613 1.00 23.32 N ATOM 196 CA ASN A 13 -49.525 -58.987 -36.315 1.00 21.11 C ATOM 197 C ASN A 13 -49.761 -57.594 -35.713 1.00 22.21 C ATOM 198 O ASN A 13 -49.666 -56.576 -36.409 1.00 71.03 O ATOM 199 CB ASN A 13 -48.642 -58.917 -37.596 1.00 72.44 C ATOM 200 CG ASN A 13 -48.299 -60.283 -38.191 1.00 75.43 C ATOM 201 OD1 ASN A 13 -48.243 -60.451 -39.415 1.00 74.35 O ATOM 202 ND2 ASN A 13 -48.016 -61.265 -37.346 1.00 12.01 N ATOM 0 H ASN A 13 -51.081 -59.573 -37.596 1.00 23.32 H new ATOM 0 HA ASN A 13 -48.987 -59.585 -35.580 1.00 21.11 H new ATOM 0 HB2 ASN A 13 -49.160 -58.324 -38.350 1.00 72.44 H new ATOM 0 HB3 ASN A 13 -47.716 -58.393 -37.358 1.00 72.44 H new ATOM 0 HD21 ASN A 13 -47.745 -62.182 -37.702 1.00 12.01 H new ATOM 0 HD22 ASN A 13 -48.069 -61.103 -36.340 1.00 12.01 H new ATOM 209 N GLY A 14 -50.129 -57.582 -34.422 1.00 22.20 N ATOM 210 CA GLY A 14 -50.326 -56.346 -33.667 1.00 74.32 C ATOM 211 C GLY A 14 -48.994 -55.773 -33.220 1.00 41.25 C ATOM 212 O GLY A 14 -48.625 -55.883 -32.048 1.00 4.52 O ATOM 0 H GLY A 14 -50.297 -58.429 -33.879 1.00 22.20 H new ATOM 0 HA2 GLY A 14 -50.853 -55.617 -34.283 1.00 74.32 H new ATOM 0 HA3 GLY A 14 -50.954 -56.541 -32.798 1.00 74.32 H new ATOM 216 N LYS A 15 -48.260 -55.192 -34.179 1.00 32.45 N ATOM 217 CA LYS A 15 -46.906 -54.682 -33.954 1.00 34.12 C ATOM 218 C LYS A 15 -46.976 -53.251 -33.407 1.00 3.42 C ATOM 219 O LYS A 15 -47.168 -52.291 -34.167 1.00 35.00 O ATOM 220 CB LYS A 15 -46.085 -54.756 -35.275 1.00 0.40 C ATOM 221 CG LYS A 15 -44.594 -54.373 -35.138 1.00 71.32 C ATOM 222 CD LYS A 15 -43.824 -55.343 -34.211 1.00 10.32 C ATOM 223 CE LYS A 15 -42.397 -54.878 -33.895 1.00 74.01 C ATOM 224 NZ LYS A 15 -41.722 -55.798 -32.938 1.00 12.25 N ATOM 0 H LYS A 15 -48.592 -55.063 -35.135 1.00 32.45 H new ATOM 0 HA LYS A 15 -46.397 -55.299 -33.213 1.00 34.12 H new ATOM 0 HB2 LYS A 15 -46.150 -55.770 -35.669 1.00 0.40 H new ATOM 0 HB3 LYS A 15 -46.548 -54.098 -36.010 1.00 0.40 H new ATOM 0 HG2 LYS A 15 -44.129 -54.370 -36.124 1.00 71.32 H new ATOM 0 HG3 LYS A 15 -44.516 -53.359 -34.746 1.00 71.32 H new ATOM 0 HD2 LYS A 15 -44.376 -55.458 -33.278 1.00 10.32 H new ATOM 0 HD3 LYS A 15 -43.783 -56.326 -34.680 1.00 10.32 H new ATOM 0 HE2 LYS A 15 -41.819 -54.823 -34.817 1.00 74.01 H new ATOM 0 HE3 LYS A 15 -42.425 -53.872 -33.476 1.00 74.01 H new ATOM 0 HZ1 LYS A 15 -40.759 -55.454 -32.746 1.00 12.25 H new ATOM 0 HZ2 LYS A 15 -42.261 -55.831 -32.049 1.00 12.25 H new ATOM 0 HZ3 LYS A 15 -41.673 -56.752 -33.349 1.00 12.25 H new ATOM 238 N LEU A 16 -46.851 -53.128 -32.075 1.00 3.13 N ATOM 239 CA LEU A 16 -46.994 -51.849 -31.368 1.00 53.43 C ATOM 240 C LEU A 16 -45.785 -51.621 -30.453 1.00 22.33 C ATOM 241 O LEU A 16 -45.380 -52.515 -29.696 1.00 2.21 O ATOM 242 CB LEU A 16 -48.344 -51.833 -30.570 1.00 52.03 C ATOM 243 CG LEU A 16 -48.851 -50.451 -30.007 1.00 14.30 C ATOM 244 CD1 LEU A 16 -48.183 -50.049 -28.675 1.00 1.44 C ATOM 245 CD2 LEU A 16 -48.690 -49.343 -31.064 1.00 14.32 C ATOM 0 H LEU A 16 -46.648 -53.915 -31.459 1.00 3.13 H new ATOM 0 HA LEU A 16 -47.023 -51.030 -32.086 1.00 53.43 H new ATOM 0 HB2 LEU A 16 -49.121 -52.235 -31.220 1.00 52.03 H new ATOM 0 HB3 LEU A 16 -48.244 -52.520 -29.730 1.00 52.03 H new ATOM 0 HG LEU A 16 -49.910 -50.578 -29.784 1.00 14.30 H new ATOM 0 HD11 LEU A 16 -48.578 -49.088 -28.345 1.00 1.44 H new ATOM 0 HD12 LEU A 16 -48.393 -50.806 -27.920 1.00 1.44 H new ATOM 0 HD13 LEU A 16 -47.105 -49.968 -28.818 1.00 1.44 H new ATOM 0 HD21 LEU A 16 -49.046 -48.397 -30.656 1.00 14.32 H new ATOM 0 HD22 LEU A 16 -47.639 -49.249 -31.335 1.00 14.32 H new ATOM 0 HD23 LEU A 16 -49.272 -49.598 -31.950 1.00 14.32 H new ATOM 257 N LYS A 17 -45.211 -50.415 -30.543 1.00 4.25 N ATOM 258 CA LYS A 17 -44.119 -49.950 -29.677 1.00 24.54 C ATOM 259 C LYS A 17 -44.626 -48.787 -28.802 1.00 74.32 C ATOM 260 O LYS A 17 -45.470 -47.988 -29.238 1.00 73.53 O ATOM 261 CB LYS A 17 -42.899 -49.492 -30.536 1.00 2.34 C ATOM 262 CG LYS A 17 -43.165 -48.244 -31.413 1.00 61.13 C ATOM 263 CD LYS A 17 -41.952 -47.826 -32.284 1.00 11.32 C ATOM 264 CE LYS A 17 -42.254 -46.573 -33.131 1.00 3.45 C ATOM 265 NZ LYS A 17 -41.160 -46.260 -34.093 1.00 52.30 N ATOM 0 H LYS A 17 -45.498 -49.721 -31.233 1.00 4.25 H new ATOM 0 HA LYS A 17 -43.794 -50.769 -29.036 1.00 24.54 H new ATOM 0 HB2 LYS A 17 -42.061 -49.282 -29.871 1.00 2.34 H new ATOM 0 HB3 LYS A 17 -42.595 -50.316 -31.181 1.00 2.34 H new ATOM 0 HG2 LYS A 17 -44.017 -48.442 -32.063 1.00 61.13 H new ATOM 0 HG3 LYS A 17 -43.443 -47.410 -30.768 1.00 61.13 H new ATOM 0 HD2 LYS A 17 -41.094 -47.631 -31.641 1.00 11.32 H new ATOM 0 HD3 LYS A 17 -41.676 -48.650 -32.942 1.00 11.32 H new ATOM 0 HE2 LYS A 17 -43.184 -46.724 -33.679 1.00 3.45 H new ATOM 0 HE3 LYS A 17 -42.408 -45.720 -32.470 1.00 3.45 H new ATOM 0 HZ1 LYS A 17 -41.410 -45.410 -34.638 1.00 52.30 H new ATOM 0 HZ2 LYS A 17 -40.277 -46.089 -33.571 1.00 52.30 H new ATOM 0 HZ3 LYS A 17 -41.029 -47.062 -34.742 1.00 52.30 H new ATOM 279 N CYS A 18 -44.137 -48.710 -27.566 1.00 13.10 N ATOM 280 CA CYS A 18 -44.352 -47.553 -26.690 1.00 14.22 C ATOM 281 C CYS A 18 -42.984 -46.906 -26.425 1.00 74.24 C ATOM 282 O CYS A 18 -42.234 -47.364 -25.550 1.00 14.30 O ATOM 283 CB CYS A 18 -45.052 -47.983 -25.381 1.00 23.10 C ATOM 284 SG CYS A 18 -46.706 -48.679 -25.612 1.00 4.42 S ATOM 0 H CYS A 18 -43.578 -49.449 -27.140 1.00 13.10 H new ATOM 0 HA CYS A 18 -45.010 -46.826 -27.166 1.00 14.22 H new ATOM 0 HB2 CYS A 18 -44.428 -48.720 -24.875 1.00 23.10 H new ATOM 0 HB3 CYS A 18 -45.124 -47.119 -24.721 1.00 23.10 H new ATOM 0 HG CYS A 18 -47.203 -49.009 -24.457 1.00 4.42 H new ATOM 290 N ASP A 19 -42.646 -45.880 -27.227 1.00 14.22 N ATOM 291 CA ASP A 19 -41.339 -45.207 -27.168 1.00 53.34 C ATOM 292 C ASP A 19 -41.451 -43.815 -27.808 1.00 61.00 C ATOM 293 O ASP A 19 -41.843 -43.695 -28.975 1.00 52.51 O ATOM 294 CB ASP A 19 -40.252 -46.056 -27.887 1.00 23.13 C ATOM 295 CG ASP A 19 -38.837 -45.475 -27.727 1.00 51.15 C ATOM 296 OD1 ASP A 19 -38.192 -45.735 -26.682 1.00 2.23 O ATOM 297 OD2 ASP A 19 -38.360 -44.745 -28.631 1.00 31.42 O ATOM 0 H ASP A 19 -43.273 -45.495 -27.934 1.00 14.22 H new ATOM 0 HA ASP A 19 -41.041 -45.097 -26.125 1.00 53.34 H new ATOM 0 HB2 ASP A 19 -40.270 -47.071 -27.490 1.00 23.13 H new ATOM 0 HB3 ASP A 19 -40.494 -46.124 -28.948 1.00 23.13 H new ATOM 302 N VAL A 20 -41.124 -42.771 -27.030 1.00 54.44 N ATOM 303 CA VAL A 20 -41.161 -41.362 -27.476 1.00 3.14 C ATOM 304 C VAL A 20 -39.739 -40.762 -27.456 1.00 52.13 C ATOM 305 O VAL A 20 -38.770 -41.460 -27.130 1.00 2.21 O ATOM 306 CB VAL A 20 -42.137 -40.504 -26.576 1.00 2.44 C ATOM 307 CG1 VAL A 20 -43.572 -41.069 -26.630 1.00 55.32 C ATOM 308 CG2 VAL A 20 -41.634 -40.391 -25.112 1.00 31.51 C ATOM 0 H VAL A 20 -40.822 -42.879 -26.062 1.00 54.44 H new ATOM 0 HA VAL A 20 -41.541 -41.337 -28.497 1.00 3.14 H new ATOM 0 HB VAL A 20 -42.151 -39.494 -26.985 1.00 2.44 H new ATOM 0 HG11 VAL A 20 -44.226 -40.462 -26.003 1.00 55.32 H new ATOM 0 HG12 VAL A 20 -43.933 -41.048 -27.658 1.00 55.32 H new ATOM 0 HG13 VAL A 20 -43.572 -42.097 -26.267 1.00 55.32 H new ATOM 0 HG21 VAL A 20 -42.336 -39.793 -24.531 1.00 31.51 H new ATOM 0 HG22 VAL A 20 -41.558 -41.387 -24.676 1.00 31.51 H new ATOM 0 HG23 VAL A 20 -40.654 -39.914 -25.100 1.00 31.51 H new ATOM 318 N CYS A 21 -39.626 -39.473 -27.816 1.00 11.43 N ATOM 319 CA CYS A 21 -38.361 -38.708 -27.753 1.00 72.33 C ATOM 320 C CYS A 21 -38.456 -37.599 -26.688 1.00 54.54 C ATOM 321 O CYS A 21 -39.564 -37.202 -26.290 1.00 42.34 O ATOM 322 CB CYS A 21 -38.036 -38.112 -29.140 1.00 74.13 C ATOM 323 SG CYS A 21 -37.718 -39.355 -30.407 1.00 22.21 S ATOM 0 H CYS A 21 -40.413 -38.925 -28.162 1.00 11.43 H new ATOM 0 HA CYS A 21 -37.553 -39.382 -27.468 1.00 72.33 H new ATOM 0 HB2 CYS A 21 -38.868 -37.485 -29.460 1.00 74.13 H new ATOM 0 HB3 CYS A 21 -37.164 -37.464 -29.052 1.00 74.13 H new ATOM 0 HG CYS A 21 -37.457 -38.767 -31.536 1.00 22.21 H new ATOM 329 N GLY A 22 -37.284 -37.100 -26.241 1.00 14.13 N ATOM 330 CA GLY A 22 -37.198 -36.018 -25.249 1.00 55.42 C ATOM 331 C GLY A 22 -37.388 -34.646 -25.889 1.00 25.03 C ATOM 332 O GLY A 22 -36.423 -33.897 -26.087 1.00 61.34 O ATOM 0 H GLY A 22 -36.376 -37.438 -26.559 1.00 14.13 H new ATOM 0 HA2 GLY A 22 -37.956 -36.169 -24.480 1.00 55.42 H new ATOM 0 HA3 GLY A 22 -36.228 -36.056 -24.752 1.00 55.42 H new ATOM 336 N MET A 23 -38.645 -34.342 -26.258 1.00 54.02 N ATOM 337 CA MET A 23 -39.026 -33.090 -26.953 1.00 20.33 C ATOM 338 C MET A 23 -39.470 -32.021 -25.944 1.00 73.05 C ATOM 339 O MET A 23 -39.741 -32.339 -24.778 1.00 1.43 O ATOM 340 CB MET A 23 -40.168 -33.371 -27.970 1.00 64.41 C ATOM 341 CG MET A 23 -39.818 -34.411 -29.038 1.00 54.42 C ATOM 342 SD MET A 23 -41.173 -34.673 -30.203 1.00 63.22 S ATOM 343 CE MET A 23 -40.470 -35.895 -31.312 1.00 42.03 C ATOM 0 H MET A 23 -39.436 -34.962 -26.082 1.00 54.02 H new ATOM 0 HA MET A 23 -38.154 -32.715 -27.490 1.00 20.33 H new ATOM 0 HB2 MET A 23 -41.049 -33.709 -27.425 1.00 64.41 H new ATOM 0 HB3 MET A 23 -40.437 -32.437 -28.463 1.00 64.41 H new ATOM 0 HG2 MET A 23 -38.931 -34.087 -29.582 1.00 54.42 H new ATOM 0 HG3 MET A 23 -39.568 -35.356 -28.555 1.00 54.42 H new ATOM 0 HE1 MET A 23 -40.949 -35.819 -32.288 1.00 42.03 H new ATOM 0 HE2 MET A 23 -39.400 -35.717 -31.418 1.00 42.03 H new ATOM 0 HE3 MET A 23 -40.633 -36.893 -30.904 1.00 42.03 H new ATOM 353 N VAL A 24 -39.533 -30.756 -26.425 1.00 21.52 N ATOM 354 CA VAL A 24 -40.049 -29.583 -25.674 1.00 13.14 C ATOM 355 C VAL A 24 -39.190 -29.266 -24.417 1.00 73.43 C ATOM 356 O VAL A 24 -39.201 -30.023 -23.444 1.00 70.41 O ATOM 357 CB VAL A 24 -41.577 -29.743 -25.283 1.00 55.55 C ATOM 358 CG1 VAL A 24 -42.096 -28.528 -24.472 1.00 14.22 C ATOM 359 CG2 VAL A 24 -42.454 -29.972 -26.537 1.00 22.31 C ATOM 0 H VAL A 24 -39.220 -30.516 -27.366 1.00 21.52 H new ATOM 0 HA VAL A 24 -39.970 -28.734 -26.353 1.00 13.14 H new ATOM 0 HB VAL A 24 -41.651 -30.623 -24.645 1.00 55.55 H new ATOM 0 HG11 VAL A 24 -43.147 -28.678 -24.224 1.00 14.22 H new ATOM 0 HG12 VAL A 24 -41.517 -28.430 -23.554 1.00 14.22 H new ATOM 0 HG13 VAL A 24 -41.989 -27.621 -25.067 1.00 14.22 H new ATOM 0 HG21 VAL A 24 -43.497 -30.078 -26.237 1.00 22.31 H new ATOM 0 HG22 VAL A 24 -42.355 -29.121 -27.211 1.00 22.31 H new ATOM 0 HG23 VAL A 24 -42.129 -30.879 -27.048 1.00 22.31 H new ATOM 369 N CYS A 25 -38.471 -28.125 -24.458 1.00 74.43 N ATOM 370 CA CYS A 25 -37.577 -27.672 -23.371 1.00 43.34 C ATOM 371 C CYS A 25 -38.350 -27.495 -22.039 1.00 12.32 C ATOM 372 O CYS A 25 -39.456 -26.933 -22.039 1.00 60.11 O ATOM 373 CB CYS A 25 -36.916 -26.339 -23.794 1.00 61.21 C ATOM 374 SG CYS A 25 -36.157 -26.395 -25.433 1.00 65.13 S ATOM 0 H CYS A 25 -38.495 -27.487 -25.253 1.00 74.43 H new ATOM 0 HA CYS A 25 -36.812 -28.430 -23.202 1.00 43.34 H new ATOM 0 HB2 CYS A 25 -37.667 -25.549 -23.778 1.00 61.21 H new ATOM 0 HB3 CYS A 25 -36.156 -26.071 -23.060 1.00 61.21 H new ATOM 0 HG CYS A 25 -35.630 -25.238 -25.707 1.00 65.13 H new ATOM 380 N ILE A 26 -37.769 -27.993 -20.928 1.00 32.34 N ATOM 381 CA ILE A 26 -38.390 -27.922 -19.586 1.00 22.03 C ATOM 382 C ILE A 26 -38.137 -26.540 -18.956 1.00 3.11 C ATOM 383 O ILE A 26 -37.001 -26.044 -18.938 1.00 63.32 O ATOM 384 CB ILE A 26 -37.873 -29.072 -18.625 1.00 73.34 C ATOM 385 CG1 ILE A 26 -36.310 -29.056 -18.487 1.00 24.02 C ATOM 386 CG2 ILE A 26 -38.382 -30.450 -19.103 1.00 44.22 C ATOM 387 CD1 ILE A 26 -35.732 -30.078 -17.511 1.00 22.50 C ATOM 0 H ILE A 26 -36.859 -28.454 -20.934 1.00 32.34 H new ATOM 0 HA ILE A 26 -39.462 -28.068 -19.714 1.00 22.03 H new ATOM 0 HB ILE A 26 -38.281 -28.884 -17.632 1.00 73.34 H new ATOM 0 HG12 ILE A 26 -35.873 -29.229 -19.470 1.00 24.02 H new ATOM 0 HG13 ILE A 26 -36.000 -28.060 -18.171 1.00 24.02 H new ATOM 0 HG21 ILE A 26 -38.017 -31.226 -18.431 1.00 44.22 H new ATOM 0 HG22 ILE A 26 -39.472 -30.455 -19.104 1.00 44.22 H new ATOM 0 HG23 ILE A 26 -38.017 -30.643 -20.112 1.00 44.22 H new ATOM 0 HD11 ILE A 26 -34.646 -29.986 -17.488 1.00 22.50 H new ATOM 0 HD12 ILE A 26 -36.133 -29.896 -16.514 1.00 22.50 H new ATOM 0 HD13 ILE A 26 -36.004 -31.083 -17.833 1.00 22.50 H new ATOM 399 N GLY A 27 -39.219 -25.919 -18.459 1.00 45.24 N ATOM 400 CA GLY A 27 -39.164 -24.566 -17.901 1.00 41.25 C ATOM 401 C GLY A 27 -39.071 -23.480 -18.980 1.00 65.21 C ATOM 402 O GLY A 27 -38.843 -23.794 -20.155 1.00 45.30 O ATOM 0 H GLY A 27 -40.148 -26.340 -18.434 1.00 45.24 H new ATOM 0 HA2 GLY A 27 -40.052 -24.392 -17.293 1.00 41.25 H new ATOM 0 HA3 GLY A 27 -38.303 -24.487 -17.237 1.00 41.25 H new ATOM 406 N PRO A 28 -39.238 -22.175 -18.611 1.00 52.53 N ATOM 407 CA PRO A 28 -39.281 -21.066 -19.593 1.00 2.51 C ATOM 408 C PRO A 28 -37.909 -20.803 -20.273 1.00 11.51 C ATOM 409 O PRO A 28 -36.848 -20.906 -19.642 1.00 22.32 O ATOM 410 CB PRO A 28 -39.760 -19.863 -18.743 1.00 2.14 C ATOM 411 CG PRO A 28 -39.312 -20.176 -17.341 1.00 51.42 C ATOM 412 CD PRO A 28 -39.392 -21.687 -17.209 1.00 52.43 C ATOM 0 HA PRO A 28 -39.938 -21.281 -20.436 1.00 2.51 H new ATOM 0 HB2 PRO A 28 -39.323 -18.930 -19.098 1.00 2.14 H new ATOM 0 HB3 PRO A 28 -40.843 -19.748 -18.795 1.00 2.14 H new ATOM 0 HG2 PRO A 28 -38.296 -19.821 -17.167 1.00 51.42 H new ATOM 0 HG3 PRO A 28 -39.951 -19.685 -16.607 1.00 51.42 H new ATOM 0 HD2 PRO A 28 -38.605 -22.074 -16.562 1.00 52.43 H new ATOM 0 HD3 PRO A 28 -40.343 -22.001 -16.778 1.00 52.43 H new ATOM 420 N ASN A 29 -37.964 -20.448 -21.575 1.00 3.32 N ATOM 421 CA ASN A 29 -36.770 -20.204 -22.422 1.00 61.05 C ATOM 422 C ASN A 29 -36.085 -18.854 -22.066 1.00 12.12 C ATOM 423 O ASN A 29 -35.014 -18.540 -22.597 1.00 23.40 O ATOM 424 CB ASN A 29 -37.176 -20.241 -23.931 1.00 51.54 C ATOM 425 CG ASN A 29 -35.994 -20.378 -24.909 1.00 70.30 C ATOM 426 OD1 ASN A 29 -35.023 -21.084 -24.642 1.00 23.13 O ATOM 427 ND2 ASN A 29 -36.064 -19.699 -26.046 1.00 74.43 N ATOM 0 H ASN A 29 -38.844 -20.321 -22.074 1.00 3.32 H new ATOM 0 HA ASN A 29 -36.045 -20.995 -22.229 1.00 61.05 H new ATOM 0 HB2 ASN A 29 -37.860 -21.075 -24.089 1.00 51.54 H new ATOM 0 HB3 ASN A 29 -37.724 -19.329 -24.169 1.00 51.54 H new ATOM 0 HD21 ASN A 29 -35.302 -19.756 -26.722 1.00 74.43 H new ATOM 0 HD22 ASN A 29 -36.880 -19.120 -26.245 1.00 74.43 H new ATOM 434 N VAL A 30 -36.709 -18.070 -21.145 1.00 42.24 N ATOM 435 CA VAL A 30 -36.157 -16.793 -20.629 1.00 41.13 C ATOM 436 C VAL A 30 -34.750 -16.990 -20.002 1.00 23.41 C ATOM 437 O VAL A 30 -33.879 -16.120 -20.120 1.00 22.23 O ATOM 438 CB VAL A 30 -37.136 -16.119 -19.587 1.00 52.33 C ATOM 439 CG1 VAL A 30 -37.360 -17.009 -18.346 1.00 13.32 C ATOM 440 CG2 VAL A 30 -36.660 -14.703 -19.182 1.00 64.01 C ATOM 0 H VAL A 30 -37.614 -18.310 -20.740 1.00 42.24 H new ATOM 0 HA VAL A 30 -36.055 -16.123 -21.483 1.00 41.13 H new ATOM 0 HB VAL A 30 -38.098 -16.010 -20.087 1.00 52.33 H new ATOM 0 HG11 VAL A 30 -38.039 -16.507 -17.656 1.00 13.32 H new ATOM 0 HG12 VAL A 30 -37.793 -17.961 -18.654 1.00 13.32 H new ATOM 0 HG13 VAL A 30 -36.406 -17.188 -17.850 1.00 13.32 H new ATOM 0 HG21 VAL A 30 -37.360 -14.275 -18.465 1.00 64.01 H new ATOM 0 HG22 VAL A 30 -35.671 -14.767 -18.729 1.00 64.01 H new ATOM 0 HG23 VAL A 30 -36.613 -14.068 -20.067 1.00 64.01 H new ATOM 450 N LEU A 31 -34.543 -18.172 -19.384 1.00 55.11 N ATOM 451 CA LEU A 31 -33.262 -18.566 -18.772 1.00 70.21 C ATOM 452 C LEU A 31 -32.169 -18.677 -19.851 1.00 23.22 C ATOM 453 O LEU A 31 -31.050 -18.189 -19.674 1.00 41.43 O ATOM 454 CB LEU A 31 -33.433 -19.923 -18.027 1.00 23.15 C ATOM 455 CG LEU A 31 -34.560 -19.967 -16.946 1.00 54.31 C ATOM 456 CD1 LEU A 31 -34.649 -21.353 -16.282 1.00 53.05 C ATOM 457 CD2 LEU A 31 -34.379 -18.852 -15.896 1.00 73.45 C ATOM 0 H LEU A 31 -35.268 -18.884 -19.297 1.00 55.11 H new ATOM 0 HA LEU A 31 -32.958 -17.805 -18.054 1.00 70.21 H new ATOM 0 HB2 LEU A 31 -33.634 -20.699 -18.766 1.00 23.15 H new ATOM 0 HB3 LEU A 31 -32.487 -20.175 -17.549 1.00 23.15 H new ATOM 0 HG LEU A 31 -35.507 -19.786 -17.455 1.00 54.31 H new ATOM 0 HD11 LEU A 31 -35.443 -21.348 -15.535 1.00 53.05 H new ATOM 0 HD12 LEU A 31 -34.867 -22.106 -17.039 1.00 53.05 H new ATOM 0 HD13 LEU A 31 -33.700 -21.587 -15.801 1.00 53.05 H new ATOM 0 HD21 LEU A 31 -35.180 -18.912 -15.159 1.00 73.45 H new ATOM 0 HD22 LEU A 31 -33.418 -18.975 -15.397 1.00 73.45 H new ATOM 0 HD23 LEU A 31 -34.411 -17.880 -16.388 1.00 73.45 H new ATOM 469 N MET A 32 -32.557 -19.273 -20.994 1.00 41.54 N ATOM 470 CA MET A 32 -31.658 -19.561 -22.119 1.00 33.22 C ATOM 471 C MET A 32 -31.308 -18.292 -22.925 1.00 13.14 C ATOM 472 O MET A 32 -30.151 -18.100 -23.288 1.00 75.23 O ATOM 473 CB MET A 32 -32.305 -20.632 -23.031 1.00 20.03 C ATOM 474 CG MET A 32 -31.513 -20.953 -24.308 1.00 74.12 C ATOM 475 SD MET A 32 -29.811 -21.455 -23.962 1.00 20.33 S ATOM 476 CE MET A 32 -29.158 -21.660 -25.618 1.00 43.12 C ATOM 0 H MET A 32 -33.518 -19.571 -21.161 1.00 41.54 H new ATOM 0 HA MET A 32 -30.720 -19.942 -21.716 1.00 33.22 H new ATOM 0 HB2 MET A 32 -32.430 -21.550 -22.457 1.00 20.03 H new ATOM 0 HB3 MET A 32 -33.302 -20.294 -23.314 1.00 20.03 H new ATOM 0 HG2 MET A 32 -32.019 -21.749 -24.854 1.00 74.12 H new ATOM 0 HG3 MET A 32 -31.505 -20.077 -24.956 1.00 74.12 H new ATOM 0 HE1 MET A 32 -28.114 -21.969 -25.562 1.00 43.12 H new ATOM 0 HE2 MET A 32 -29.734 -22.421 -26.145 1.00 43.12 H new ATOM 0 HE3 MET A 32 -29.228 -20.715 -26.156 1.00 43.12 H new ATOM 486 N VAL A 33 -32.309 -17.424 -23.192 1.00 5.14 N ATOM 487 CA VAL A 33 -32.094 -16.188 -23.986 1.00 61.44 C ATOM 488 C VAL A 33 -31.215 -15.182 -23.208 1.00 63.05 C ATOM 489 O VAL A 33 -30.382 -14.490 -23.804 1.00 14.12 O ATOM 490 CB VAL A 33 -33.450 -15.525 -24.458 1.00 30.05 C ATOM 491 CG1 VAL A 33 -34.327 -15.070 -23.278 1.00 3.53 C ATOM 492 CG2 VAL A 33 -33.204 -14.359 -25.450 1.00 71.01 C ATOM 0 H VAL A 33 -33.269 -17.553 -22.873 1.00 5.14 H new ATOM 0 HA VAL A 33 -31.563 -16.479 -24.892 1.00 61.44 H new ATOM 0 HB VAL A 33 -34.003 -16.303 -24.985 1.00 30.05 H new ATOM 0 HG11 VAL A 33 -35.245 -14.622 -23.658 1.00 3.53 H new ATOM 0 HG12 VAL A 33 -34.574 -15.930 -22.655 1.00 3.53 H new ATOM 0 HG13 VAL A 33 -33.784 -14.335 -22.683 1.00 3.53 H new ATOM 0 HG21 VAL A 33 -34.160 -13.930 -25.751 1.00 71.01 H new ATOM 0 HG22 VAL A 33 -32.598 -13.592 -24.967 1.00 71.01 H new ATOM 0 HG23 VAL A 33 -32.682 -14.734 -26.330 1.00 71.01 H new ATOM 502 N HIS A 34 -31.382 -15.153 -21.868 1.00 24.14 N ATOM 503 CA HIS A 34 -30.527 -14.356 -20.966 1.00 14.14 C ATOM 504 C HIS A 34 -29.085 -14.893 -20.978 1.00 13.22 C ATOM 505 O HIS A 34 -28.136 -14.121 -21.125 1.00 61.24 O ATOM 506 CB HIS A 34 -31.094 -14.346 -19.512 1.00 55.34 C ATOM 507 CG HIS A 34 -32.155 -13.306 -19.261 1.00 64.40 C ATOM 508 ND1 HIS A 34 -32.151 -12.492 -18.149 1.00 12.45 N ATOM 509 CD2 HIS A 34 -33.235 -12.928 -19.992 1.00 73.42 C ATOM 510 CE1 HIS A 34 -33.172 -11.661 -18.213 1.00 0.31 C ATOM 511 NE2 HIS A 34 -33.846 -11.910 -19.316 1.00 44.34 N ATOM 0 H HIS A 34 -32.110 -15.679 -21.385 1.00 24.14 H new ATOM 0 HA HIS A 34 -30.521 -13.329 -21.330 1.00 14.14 H new ATOM 0 HB2 HIS A 34 -31.508 -15.330 -19.290 1.00 55.34 H new ATOM 0 HB3 HIS A 34 -30.271 -14.182 -18.816 1.00 55.34 H new ATOM 0 HD2 HIS A 34 -33.552 -13.353 -20.933 1.00 73.42 H new ATOM 0 HE1 HIS A 34 -33.415 -10.903 -17.483 1.00 0.31 H new ATOM 0 HE2 HIS A 34 -34.689 -11.421 -19.618 1.00 44.34 H new ATOM 520 N LYS A 35 -28.950 -16.230 -20.859 1.00 41.01 N ATOM 521 CA LYS A 35 -27.648 -16.921 -20.798 1.00 51.22 C ATOM 522 C LYS A 35 -26.844 -16.743 -22.105 1.00 71.15 C ATOM 523 O LYS A 35 -25.685 -16.352 -22.062 1.00 1.31 O ATOM 524 CB LYS A 35 -27.873 -18.430 -20.496 1.00 34.42 C ATOM 525 CG LYS A 35 -26.588 -19.292 -20.463 1.00 22.12 C ATOM 526 CD LYS A 35 -25.589 -18.852 -19.369 1.00 1.43 C ATOM 527 CE LYS A 35 -24.308 -19.702 -19.371 1.00 22.51 C ATOM 528 NZ LYS A 35 -24.578 -21.135 -19.080 1.00 64.44 N ATOM 0 H LYS A 35 -29.747 -16.863 -20.802 1.00 41.01 H new ATOM 0 HA LYS A 35 -27.061 -16.474 -19.996 1.00 51.22 H new ATOM 0 HB2 LYS A 35 -28.377 -18.521 -19.534 1.00 34.42 H new ATOM 0 HB3 LYS A 35 -28.547 -18.839 -21.249 1.00 34.42 H new ATOM 0 HG2 LYS A 35 -26.861 -20.334 -20.299 1.00 22.12 H new ATOM 0 HG3 LYS A 35 -26.098 -19.240 -21.435 1.00 22.12 H new ATOM 0 HD2 LYS A 35 -25.327 -17.805 -19.519 1.00 1.43 H new ATOM 0 HD3 LYS A 35 -26.068 -18.924 -18.393 1.00 1.43 H new ATOM 0 HE2 LYS A 35 -23.820 -19.617 -20.342 1.00 22.51 H new ATOM 0 HE3 LYS A 35 -23.613 -19.308 -18.630 1.00 22.51 H new ATOM 0 HZ1 LYS A 35 -23.677 -21.644 -18.975 1.00 64.44 H new ATOM 0 HZ2 LYS A 35 -25.124 -21.213 -18.199 1.00 64.44 H new ATOM 0 HZ3 LYS A 35 -25.122 -21.552 -19.863 1.00 64.44 H new ATOM 542 N ARG A 36 -27.499 -16.986 -23.250 1.00 11.34 N ATOM 543 CA ARG A 36 -26.848 -17.032 -24.581 1.00 62.32 C ATOM 544 C ARG A 36 -26.345 -15.634 -25.028 1.00 24.44 C ATOM 545 O ARG A 36 -25.462 -15.529 -25.891 1.00 22.31 O ATOM 546 CB ARG A 36 -27.845 -17.647 -25.610 1.00 34.51 C ATOM 547 CG ARG A 36 -27.282 -17.897 -27.032 1.00 60.30 C ATOM 548 CD ARG A 36 -26.172 -18.973 -27.088 1.00 33.11 C ATOM 549 NE ARG A 36 -25.613 -19.103 -28.447 1.00 55.50 N ATOM 550 CZ ARG A 36 -24.645 -19.969 -28.814 1.00 43.04 C ATOM 551 NH1 ARG A 36 -24.106 -20.818 -27.942 1.00 42.54 N ATOM 552 NH2 ARG A 36 -24.224 -19.982 -30.071 1.00 22.44 N ATOM 0 H ARG A 36 -28.504 -17.158 -23.286 1.00 11.34 H new ATOM 0 HA ARG A 36 -25.962 -17.664 -24.522 1.00 62.32 H new ATOM 0 HB2 ARG A 36 -28.209 -18.595 -25.213 1.00 34.51 H new ATOM 0 HB3 ARG A 36 -28.706 -16.984 -25.693 1.00 34.51 H new ATOM 0 HG2 ARG A 36 -28.099 -18.198 -27.688 1.00 60.30 H new ATOM 0 HG3 ARG A 36 -26.886 -16.960 -27.425 1.00 60.30 H new ATOM 0 HD2 ARG A 36 -25.376 -18.713 -26.390 1.00 33.11 H new ATOM 0 HD3 ARG A 36 -26.577 -19.932 -26.767 1.00 33.11 H new ATOM 0 HE ARG A 36 -25.989 -18.488 -29.169 1.00 55.50 H new ATOM 0 HH11 ARG A 36 -24.423 -20.823 -26.973 1.00 42.54 H new ATOM 0 HH12 ARG A 36 -23.376 -21.463 -28.243 1.00 42.54 H new ATOM 0 HH21 ARG A 36 -24.631 -19.341 -30.752 1.00 22.44 H new ATOM 0 HH22 ARG A 36 -23.493 -20.633 -30.357 1.00 22.44 H new ATOM 566 N SER A 37 -26.880 -14.568 -24.394 1.00 41.31 N ATOM 567 CA SER A 37 -26.470 -13.174 -24.665 1.00 14.32 C ATOM 568 C SER A 37 -25.023 -12.882 -24.193 1.00 53.33 C ATOM 569 O SER A 37 -24.389 -11.944 -24.686 1.00 25.12 O ATOM 570 CB SER A 37 -27.461 -12.202 -23.992 1.00 32.41 C ATOM 571 OG SER A 37 -28.774 -12.372 -24.503 1.00 72.34 O ATOM 0 H SER A 37 -27.606 -14.650 -23.682 1.00 41.31 H new ATOM 0 HA SER A 37 -26.486 -13.028 -25.745 1.00 14.32 H new ATOM 0 HB2 SER A 37 -27.463 -12.368 -22.915 1.00 32.41 H new ATOM 0 HB3 SER A 37 -27.135 -11.175 -24.155 1.00 32.41 H new ATOM 0 HG SER A 37 -29.168 -13.187 -24.128 1.00 72.34 H new ATOM 577 N HIS A 38 -24.510 -13.694 -23.247 1.00 52.23 N ATOM 578 CA HIS A 38 -23.166 -13.503 -22.666 1.00 53.11 C ATOM 579 C HIS A 38 -22.520 -14.851 -22.320 1.00 40.33 C ATOM 580 O HIS A 38 -23.151 -15.722 -21.725 1.00 72.23 O ATOM 581 CB HIS A 38 -23.219 -12.583 -21.412 1.00 11.33 C ATOM 582 CG HIS A 38 -24.232 -13.011 -20.372 1.00 12.31 C ATOM 583 ND1 HIS A 38 -23.924 -13.790 -19.277 1.00 72.35 N ATOM 584 CD2 HIS A 38 -25.558 -12.774 -20.289 1.00 41.14 C ATOM 585 CE1 HIS A 38 -25.022 -14.017 -18.579 1.00 32.05 C ATOM 586 NE2 HIS A 38 -26.024 -13.411 -19.174 1.00 54.52 N ATOM 0 H HIS A 38 -25.012 -14.496 -22.866 1.00 52.23 H new ATOM 0 HA HIS A 38 -22.549 -13.012 -23.418 1.00 53.11 H new ATOM 0 HB2 HIS A 38 -22.231 -12.557 -20.952 1.00 11.33 H new ATOM 0 HB3 HIS A 38 -23.449 -11.566 -21.730 1.00 11.33 H new ATOM 0 HD2 HIS A 38 -26.145 -12.187 -20.980 1.00 41.14 H new ATOM 0 HE1 HIS A 38 -25.085 -14.602 -17.673 1.00 32.05 H new ATOM 0 HE2 HIS A 38 -26.993 -13.415 -18.855 1.00 54.52 H new ATOM 595 N THR A 39 -21.249 -15.000 -22.691 1.00 3.42 N ATOM 596 CA THR A 39 -20.439 -16.183 -22.388 1.00 13.33 C ATOM 597 C THR A 39 -19.048 -15.701 -21.923 1.00 52.14 C ATOM 598 O THR A 39 -18.106 -15.563 -22.718 1.00 12.44 O ATOM 599 CB THR A 39 -20.390 -17.185 -23.614 1.00 4.53 C ATOM 600 OG1 THR A 39 -19.446 -18.243 -23.377 1.00 10.34 O ATOM 601 CG2 THR A 39 -20.075 -16.483 -24.949 1.00 13.41 C ATOM 0 H THR A 39 -20.743 -14.290 -23.220 1.00 3.42 H new ATOM 0 HA THR A 39 -20.889 -16.761 -21.581 1.00 13.33 H new ATOM 0 HB THR A 39 -21.390 -17.609 -23.701 1.00 4.53 H new ATOM 0 HG1 THR A 39 -19.434 -18.850 -24.147 1.00 10.34 H new ATOM 0 HG21 THR A 39 -20.055 -17.220 -25.752 1.00 13.41 H new ATOM 0 HG22 THR A 39 -20.843 -15.739 -25.159 1.00 13.41 H new ATOM 0 HG23 THR A 39 -19.104 -15.993 -24.882 1.00 13.41 H new ATOM 609 N GLY A 40 -18.967 -15.402 -20.606 1.00 24.43 N ATOM 610 CA GLY A 40 -17.825 -14.712 -19.999 1.00 32.04 C ATOM 611 C GLY A 40 -16.498 -15.437 -20.173 1.00 31.32 C ATOM 612 O GLY A 40 -16.345 -16.591 -19.750 1.00 13.24 O ATOM 0 H GLY A 40 -19.701 -15.638 -19.938 1.00 24.43 H new ATOM 0 HA2 GLY A 40 -17.743 -13.716 -20.434 1.00 32.04 H new ATOM 0 HA3 GLY A 40 -18.018 -14.580 -18.934 1.00 32.04 H new ATOM 616 N GLU A 41 -15.549 -14.755 -20.824 1.00 23.13 N ATOM 617 CA GLU A 41 -14.204 -15.280 -21.089 1.00 43.23 C ATOM 618 C GLU A 41 -13.239 -14.897 -19.959 1.00 73.55 C ATOM 619 O GLU A 41 -13.624 -14.228 -18.990 1.00 51.33 O ATOM 620 CB GLU A 41 -13.690 -14.755 -22.451 1.00 74.05 C ATOM 621 CG GLU A 41 -14.601 -15.078 -23.649 1.00 31.32 C ATOM 622 CD GLU A 41 -13.983 -14.663 -24.990 1.00 50.22 C ATOM 623 OE1 GLU A 41 -13.086 -15.384 -25.481 1.00 2.21 O ATOM 624 OE2 GLU A 41 -14.368 -13.614 -25.550 1.00 41.42 O ATOM 0 H GLU A 41 -15.695 -13.813 -21.186 1.00 23.13 H new ATOM 0 HA GLU A 41 -14.255 -16.368 -21.131 1.00 43.23 H new ATOM 0 HB2 GLU A 41 -13.568 -13.674 -22.386 1.00 74.05 H new ATOM 0 HB3 GLU A 41 -12.703 -15.177 -22.639 1.00 74.05 H new ATOM 0 HG2 GLU A 41 -14.808 -16.148 -23.665 1.00 31.32 H new ATOM 0 HG3 GLU A 41 -15.557 -14.570 -23.521 1.00 31.32 H new ATOM 631 N ARG A 42 -11.987 -15.354 -20.090 1.00 14.41 N ATOM 632 CA ARG A 42 -10.911 -15.102 -19.122 1.00 64.14 C ATOM 633 C ARG A 42 -9.895 -14.090 -19.695 1.00 2.43 C ATOM 634 O ARG A 42 -9.780 -13.971 -20.927 1.00 31.10 O ATOM 635 CB ARG A 42 -10.216 -16.448 -18.755 1.00 1.35 C ATOM 636 CG ARG A 42 -11.126 -17.513 -18.087 1.00 43.23 C ATOM 637 CD ARG A 42 -11.644 -17.116 -16.683 1.00 55.00 C ATOM 638 NE ARG A 42 -12.617 -16.008 -16.722 1.00 54.13 N ATOM 639 CZ ARG A 42 -12.731 -15.022 -15.810 1.00 11.01 C ATOM 640 NH1 ARG A 42 -11.949 -14.975 -14.730 1.00 55.01 N ATOM 641 NH2 ARG A 42 -13.630 -14.074 -16.002 1.00 22.32 N ATOM 0 H ARG A 42 -11.688 -15.919 -20.885 1.00 14.41 H new ATOM 0 HA ARG A 42 -11.335 -14.669 -18.216 1.00 64.14 H new ATOM 0 HB2 ARG A 42 -9.792 -16.877 -19.663 1.00 1.35 H new ATOM 0 HB3 ARG A 42 -9.384 -16.235 -18.084 1.00 1.35 H new ATOM 0 HG2 ARG A 42 -11.980 -17.703 -18.737 1.00 43.23 H new ATOM 0 HG3 ARG A 42 -10.572 -18.448 -18.006 1.00 43.23 H new ATOM 0 HD2 ARG A 42 -12.108 -17.984 -16.214 1.00 55.00 H new ATOM 0 HD3 ARG A 42 -10.799 -16.829 -16.057 1.00 55.00 H new ATOM 0 HE ARG A 42 -13.263 -15.986 -17.511 1.00 54.13 H new ATOM 0 HH11 ARG A 42 -11.244 -15.696 -14.579 1.00 55.01 H new ATOM 0 HH12 ARG A 42 -12.056 -14.218 -14.055 1.00 55.01 H new ATOM 0 HH21 ARG A 42 -14.225 -14.095 -16.830 1.00 22.32 H new ATOM 0 HH22 ARG A 42 -13.730 -13.320 -15.322 1.00 22.32 H new ATOM 655 N PRO A 43 -9.162 -13.324 -18.813 1.00 74.15 N ATOM 656 CA PRO A 43 -8.057 -12.436 -19.249 1.00 34.52 C ATOM 657 C PRO A 43 -6.952 -13.218 -19.992 1.00 52.53 C ATOM 658 O PRO A 43 -6.516 -14.281 -19.526 1.00 30.33 O ATOM 659 CB PRO A 43 -7.520 -11.831 -17.922 1.00 20.20 C ATOM 660 CG PRO A 43 -8.661 -11.965 -16.952 1.00 64.41 C ATOM 661 CD PRO A 43 -9.366 -13.247 -17.339 1.00 52.15 C ATOM 0 HA PRO A 43 -8.392 -11.677 -19.956 1.00 34.52 H new ATOM 0 HB2 PRO A 43 -6.637 -12.366 -17.571 1.00 20.20 H new ATOM 0 HB3 PRO A 43 -7.230 -10.788 -18.051 1.00 20.20 H new ATOM 0 HG2 PRO A 43 -8.300 -12.009 -15.924 1.00 64.41 H new ATOM 0 HG3 PRO A 43 -9.335 -11.111 -17.017 1.00 64.41 H new ATOM 0 HD2 PRO A 43 -8.938 -14.110 -16.829 1.00 52.15 H new ATOM 0 HD3 PRO A 43 -10.425 -13.217 -17.081 1.00 52.15 H new ATOM 669 N PHE A 44 -6.533 -12.687 -21.148 1.00 72.52 N ATOM 670 CA PHE A 44 -5.490 -13.289 -21.992 1.00 2.20 C ATOM 671 C PHE A 44 -4.105 -13.120 -21.344 1.00 30.13 C ATOM 672 O PHE A 44 -3.927 -12.300 -20.436 1.00 22.50 O ATOM 673 CB PHE A 44 -5.527 -12.667 -23.413 1.00 11.34 C ATOM 674 CG PHE A 44 -6.883 -12.814 -24.089 1.00 52.23 C ATOM 675 CD1 PHE A 44 -7.246 -14.012 -24.698 1.00 64.12 C ATOM 676 CD2 PHE A 44 -7.802 -11.765 -24.093 1.00 74.24 C ATOM 677 CE1 PHE A 44 -8.484 -14.162 -25.286 1.00 11.52 C ATOM 678 CE2 PHE A 44 -9.040 -11.918 -24.676 1.00 45.15 C ATOM 679 CZ PHE A 44 -9.379 -13.112 -25.278 1.00 15.42 C ATOM 0 H PHE A 44 -6.911 -11.819 -21.528 1.00 72.52 H new ATOM 0 HA PHE A 44 -5.684 -14.358 -22.084 1.00 2.20 H new ATOM 0 HB2 PHE A 44 -5.272 -11.609 -23.348 1.00 11.34 H new ATOM 0 HB3 PHE A 44 -4.765 -13.141 -24.032 1.00 11.34 H new ATOM 0 HD1 PHE A 44 -6.548 -14.836 -24.710 1.00 64.12 H new ATOM 0 HD2 PHE A 44 -7.540 -10.823 -23.634 1.00 74.24 H new ATOM 0 HE1 PHE A 44 -8.752 -15.099 -25.752 1.00 11.52 H new ATOM 0 HE2 PHE A 44 -9.747 -11.102 -24.662 1.00 45.15 H new ATOM 0 HZ PHE A 44 -10.347 -13.225 -25.744 1.00 15.42 H new ATOM 689 N HIS A 45 -3.134 -13.922 -21.795 1.00 12.54 N ATOM 690 CA HIS A 45 -1.799 -14.011 -21.169 1.00 34.25 C ATOM 691 C HIS A 45 -0.708 -14.079 -22.240 1.00 61.42 C ATOM 692 O HIS A 45 -0.978 -14.477 -23.370 1.00 61.42 O ATOM 693 CB HIS A 45 -1.700 -15.265 -20.259 1.00 61.22 C ATOM 694 CG HIS A 45 -2.731 -15.302 -19.164 1.00 72.11 C ATOM 695 ND1 HIS A 45 -2.648 -14.522 -18.034 1.00 25.42 N ATOM 696 CD2 HIS A 45 -3.895 -15.987 -19.053 1.00 61.24 C ATOM 697 CE1 HIS A 45 -3.715 -14.718 -17.292 1.00 35.44 C ATOM 698 NE2 HIS A 45 -4.487 -15.601 -17.886 1.00 40.02 N ATOM 0 H HIS A 45 -3.246 -14.531 -22.606 1.00 12.54 H new ATOM 0 HA HIS A 45 -1.656 -13.117 -20.562 1.00 34.25 H new ATOM 0 HB2 HIS A 45 -1.805 -16.159 -20.874 1.00 61.22 H new ATOM 0 HB3 HIS A 45 -0.707 -15.301 -19.812 1.00 61.22 H new ATOM 0 HD2 HIS A 45 -4.283 -16.707 -19.759 1.00 61.24 H new ATOM 0 HE1 HIS A 45 -3.923 -14.233 -16.350 1.00 35.44 H new ATOM 0 HE2 HIS A 45 -5.381 -15.941 -17.533 1.00 40.02 H new ATOM 707 N CYS A 46 0.519 -13.689 -21.867 1.00 34.41 N ATOM 708 CA CYS A 46 1.719 -13.845 -22.699 1.00 53.23 C ATOM 709 C CYS A 46 2.727 -14.698 -21.927 1.00 65.25 C ATOM 710 O CYS A 46 3.047 -14.389 -20.770 1.00 54.51 O ATOM 711 CB CYS A 46 2.323 -12.477 -23.048 1.00 11.02 C ATOM 712 SG CYS A 46 3.751 -12.564 -24.184 1.00 42.35 S ATOM 0 H CYS A 46 0.708 -13.250 -20.966 1.00 34.41 H new ATOM 0 HA CYS A 46 1.457 -14.334 -23.638 1.00 53.23 H new ATOM 0 HB2 CYS A 46 1.550 -11.854 -23.499 1.00 11.02 H new ATOM 0 HB3 CYS A 46 2.634 -11.983 -22.127 1.00 11.02 H new ATOM 717 N ASN A 47 3.209 -15.758 -22.577 1.00 64.52 N ATOM 718 CA ASN A 47 4.036 -16.797 -21.954 1.00 30.24 C ATOM 719 C ASN A 47 5.449 -16.283 -21.628 1.00 75.54 C ATOM 720 O ASN A 47 5.785 -16.092 -20.452 1.00 71.02 O ATOM 721 CB ASN A 47 4.066 -18.034 -22.894 1.00 41.02 C ATOM 722 CG ASN A 47 4.967 -19.193 -22.442 1.00 62.24 C ATOM 723 OD1 ASN A 47 5.562 -19.873 -23.274 1.00 3.23 O ATOM 724 ND2 ASN A 47 5.040 -19.466 -21.145 1.00 40.44 N ATOM 0 H ASN A 47 3.034 -15.923 -23.568 1.00 64.52 H new ATOM 0 HA ASN A 47 3.599 -17.085 -20.998 1.00 30.24 H new ATOM 0 HB2 ASN A 47 3.049 -18.410 -23.002 1.00 41.02 H new ATOM 0 HB3 ASN A 47 4.392 -17.709 -23.882 1.00 41.02 H new ATOM 0 HD21 ASN A 47 5.599 -20.255 -20.821 1.00 40.44 H new ATOM 0 HD22 ASN A 47 4.537 -18.887 -20.473 1.00 40.44 H new ATOM 731 N GLN A 48 6.261 -16.036 -22.669 1.00 13.02 N ATOM 732 CA GLN A 48 7.695 -15.704 -22.504 1.00 62.02 C ATOM 733 C GLN A 48 7.919 -14.174 -22.376 1.00 64.00 C ATOM 734 O GLN A 48 8.593 -13.546 -23.202 1.00 64.11 O ATOM 735 CB GLN A 48 8.545 -16.372 -23.634 1.00 35.10 C ATOM 736 CG GLN A 48 8.077 -16.084 -25.072 1.00 1.44 C ATOM 737 CD GLN A 48 8.886 -16.829 -26.137 1.00 20.12 C ATOM 738 OE1 GLN A 48 9.898 -16.326 -26.627 1.00 1.24 O ATOM 739 NE2 GLN A 48 8.444 -18.018 -26.515 1.00 51.40 N ATOM 0 H GLN A 48 5.951 -16.059 -23.641 1.00 13.02 H new ATOM 0 HA GLN A 48 8.047 -16.124 -21.562 1.00 62.02 H new ATOM 0 HB2 GLN A 48 9.578 -16.039 -23.533 1.00 35.10 H new ATOM 0 HB3 GLN A 48 8.541 -17.451 -23.478 1.00 35.10 H new ATOM 0 HG2 GLN A 48 7.027 -16.359 -25.166 1.00 1.44 H new ATOM 0 HG3 GLN A 48 8.144 -15.012 -25.260 1.00 1.44 H new ATOM 0 HE21 GLN A 48 7.603 -18.408 -26.090 1.00 51.40 H new ATOM 0 HE22 GLN A 48 8.945 -18.544 -27.231 1.00 51.40 H new ATOM 748 N CYS A 49 7.307 -13.593 -21.312 1.00 24.44 N ATOM 749 CA CYS A 49 7.523 -12.193 -20.857 1.00 3.51 C ATOM 750 C CYS A 49 6.663 -11.927 -19.599 1.00 62.43 C ATOM 751 O CYS A 49 7.050 -11.142 -18.723 1.00 73.10 O ATOM 752 CB CYS A 49 7.189 -11.144 -21.952 1.00 52.51 C ATOM 753 SG CYS A 49 5.450 -11.141 -22.504 1.00 52.33 S ATOM 0 H CYS A 49 6.634 -14.096 -20.733 1.00 24.44 H new ATOM 0 HA CYS A 49 8.583 -12.085 -20.628 1.00 3.51 H new ATOM 0 HB2 CYS A 49 7.437 -10.153 -21.573 1.00 52.51 H new ATOM 0 HB3 CYS A 49 7.829 -11.324 -22.815 1.00 52.51 H new ATOM 758 N GLY A 50 5.476 -12.575 -19.539 1.00 34.41 N ATOM 759 CA GLY A 50 4.567 -12.451 -18.397 1.00 12.10 C ATOM 760 C GLY A 50 3.729 -11.177 -18.455 1.00 61.52 C ATOM 761 O GLY A 50 4.074 -10.170 -17.827 1.00 55.20 O ATOM 0 H GLY A 50 5.133 -13.190 -20.277 1.00 34.41 H new ATOM 0 HA2 GLY A 50 3.905 -13.317 -18.367 1.00 12.10 H new ATOM 0 HA3 GLY A 50 5.145 -12.460 -17.473 1.00 12.10 H new ATOM 765 N ALA A 51 2.630 -11.215 -19.231 1.00 23.35 N ATOM 766 CA ALA A 51 1.731 -10.060 -19.430 1.00 45.41 C ATOM 767 C ALA A 51 0.271 -10.523 -19.484 1.00 3.53 C ATOM 768 O ALA A 51 -0.024 -11.562 -20.069 1.00 20.04 O ATOM 769 CB ALA A 51 2.112 -9.321 -20.718 1.00 10.11 C ATOM 0 H ALA A 51 2.339 -12.050 -19.740 1.00 23.35 H new ATOM 0 HA ALA A 51 1.839 -9.376 -18.588 1.00 45.41 H new ATOM 0 HB1 ALA A 51 1.446 -8.470 -20.860 1.00 10.11 H new ATOM 0 HB2 ALA A 51 3.141 -8.968 -20.644 1.00 10.11 H new ATOM 0 HB3 ALA A 51 2.021 -9.999 -21.567 1.00 10.11 H new ATOM 775 N SER A 52 -0.631 -9.752 -18.865 1.00 23.10 N ATOM 776 CA SER A 52 -2.082 -10.022 -18.884 1.00 43.31 C ATOM 777 C SER A 52 -2.789 -9.002 -19.788 1.00 70.42 C ATOM 778 O SER A 52 -2.353 -7.851 -19.890 1.00 32.22 O ATOM 779 CB SER A 52 -2.655 -9.978 -17.451 1.00 70.31 C ATOM 780 OG SER A 52 -4.037 -10.305 -17.437 1.00 33.30 O ATOM 0 H SER A 52 -0.379 -8.919 -18.333 1.00 23.10 H new ATOM 0 HA SER A 52 -2.255 -11.020 -19.286 1.00 43.31 H new ATOM 0 HB2 SER A 52 -2.108 -10.675 -16.817 1.00 70.31 H new ATOM 0 HB3 SER A 52 -2.510 -8.983 -17.030 1.00 70.31 H new ATOM 0 HG SER A 52 -4.372 -10.271 -16.517 1.00 33.30 H new ATOM 786 N PHE A 53 -3.893 -9.429 -20.437 1.00 73.11 N ATOM 787 CA PHE A 53 -4.619 -8.622 -21.443 1.00 25.42 C ATOM 788 C PHE A 53 -6.124 -8.736 -21.193 1.00 54.11 C ATOM 789 O PHE A 53 -6.653 -9.851 -21.140 1.00 61.44 O ATOM 790 CB PHE A 53 -4.289 -9.114 -22.883 1.00 33.51 C ATOM 791 CG PHE A 53 -2.794 -9.242 -23.150 1.00 74.42 C ATOM 792 CD1 PHE A 53 -1.992 -8.105 -23.271 1.00 53.00 C ATOM 793 CD2 PHE A 53 -2.189 -10.492 -23.240 1.00 71.32 C ATOM 794 CE1 PHE A 53 -0.641 -8.224 -23.472 1.00 51.02 C ATOM 795 CE2 PHE A 53 -0.834 -10.600 -23.436 1.00 74.12 C ATOM 796 CZ PHE A 53 -0.070 -9.473 -23.556 1.00 60.12 C ATOM 0 H PHE A 53 -4.308 -10.347 -20.278 1.00 73.11 H new ATOM 0 HA PHE A 53 -4.306 -7.582 -21.352 1.00 25.42 H new ATOM 0 HB2 PHE A 53 -4.764 -10.081 -23.046 1.00 33.51 H new ATOM 0 HB3 PHE A 53 -4.722 -8.421 -23.604 1.00 33.51 H new ATOM 0 HD1 PHE A 53 -2.440 -7.124 -23.206 1.00 53.00 H new ATOM 0 HD2 PHE A 53 -2.790 -11.385 -23.155 1.00 71.32 H new ATOM 0 HE1 PHE A 53 -0.027 -7.340 -23.564 1.00 51.02 H new ATOM 0 HE2 PHE A 53 -0.372 -11.575 -23.495 1.00 74.12 H new ATOM 0 HZ PHE A 53 0.994 -9.564 -23.719 1.00 60.12 H new ATOM 806 N THR A 54 -6.805 -7.591 -21.016 1.00 61.31 N ATOM 807 CA THR A 54 -8.266 -7.573 -20.854 1.00 14.13 C ATOM 808 C THR A 54 -8.951 -7.994 -22.171 1.00 75.04 C ATOM 809 O THR A 54 -9.897 -8.785 -22.157 1.00 54.43 O ATOM 810 CB THR A 54 -8.794 -6.176 -20.361 1.00 43.15 C ATOM 811 OG1 THR A 54 -10.234 -6.169 -20.325 1.00 72.04 O ATOM 812 CG2 THR A 54 -8.300 -5.004 -21.224 1.00 54.31 C ATOM 0 H THR A 54 -6.368 -6.670 -20.982 1.00 61.31 H new ATOM 0 HA THR A 54 -8.522 -8.294 -20.077 1.00 14.13 H new ATOM 0 HB THR A 54 -8.390 -6.033 -19.359 1.00 43.15 H new ATOM 0 HG1 THR A 54 -10.549 -5.294 -20.015 1.00 72.04 H new ATOM 0 HG21 THR A 54 -8.700 -4.069 -20.831 1.00 54.31 H new ATOM 0 HG22 THR A 54 -7.211 -4.970 -21.203 1.00 54.31 H new ATOM 0 HG23 THR A 54 -8.639 -5.140 -22.251 1.00 54.31 H new ATOM 820 N GLN A 55 -8.435 -7.500 -23.312 1.00 75.34 N ATOM 821 CA GLN A 55 -9.013 -7.770 -24.644 1.00 44.42 C ATOM 822 C GLN A 55 -7.984 -8.445 -25.557 1.00 42.14 C ATOM 823 O GLN A 55 -6.770 -8.344 -25.337 1.00 3.34 O ATOM 824 CB GLN A 55 -9.522 -6.449 -25.291 1.00 30.30 C ATOM 825 CG GLN A 55 -10.520 -5.649 -24.421 1.00 44.42 C ATOM 826 CD GLN A 55 -11.791 -6.430 -24.046 1.00 22.34 C ATOM 827 OE1 GLN A 55 -12.299 -7.247 -24.824 1.00 13.45 O ATOM 828 NE2 GLN A 55 -12.286 -6.223 -22.828 1.00 0.03 N ATOM 0 H GLN A 55 -7.608 -6.904 -23.338 1.00 75.34 H new ATOM 0 HA GLN A 55 -9.857 -8.448 -24.518 1.00 44.42 H new ATOM 0 HB2 GLN A 55 -8.664 -5.814 -25.513 1.00 30.30 H new ATOM 0 HB3 GLN A 55 -9.998 -6.686 -26.242 1.00 30.30 H new ATOM 0 HG2 GLN A 55 -10.017 -5.334 -23.507 1.00 44.42 H new ATOM 0 HG3 GLN A 55 -10.807 -4.744 -24.956 1.00 44.42 H new ATOM 0 HE21 GLN A 55 -11.846 -5.543 -22.208 1.00 0.03 H new ATOM 0 HE22 GLN A 55 -13.105 -6.744 -22.515 1.00 0.03 H new ATOM 837 N LYS A 56 -8.499 -9.144 -26.576 1.00 1.21 N ATOM 838 CA LYS A 56 -7.689 -9.757 -27.645 1.00 71.01 C ATOM 839 C LYS A 56 -7.059 -8.680 -28.546 1.00 3.21 C ATOM 840 O LYS A 56 -6.096 -8.959 -29.234 1.00 34.30 O ATOM 841 CB LYS A 56 -8.518 -10.786 -28.485 1.00 54.23 C ATOM 842 CG LYS A 56 -9.710 -10.214 -29.304 1.00 24.31 C ATOM 843 CD LYS A 56 -10.957 -9.879 -28.447 1.00 21.43 C ATOM 844 CE LYS A 56 -12.110 -9.297 -29.282 1.00 40.33 C ATOM 845 NZ LYS A 56 -12.579 -10.242 -30.338 1.00 62.12 N ATOM 0 H LYS A 56 -9.500 -9.304 -26.686 1.00 1.21 H new ATOM 0 HA LYS A 56 -6.881 -10.310 -27.166 1.00 71.01 H new ATOM 0 HB2 LYS A 56 -7.840 -11.288 -29.175 1.00 54.23 H new ATOM 0 HB3 LYS A 56 -8.904 -11.547 -27.807 1.00 54.23 H new ATOM 0 HG2 LYS A 56 -9.383 -9.312 -29.821 1.00 24.31 H new ATOM 0 HG3 LYS A 56 -9.991 -10.936 -30.070 1.00 24.31 H new ATOM 0 HD2 LYS A 56 -11.299 -10.782 -27.942 1.00 21.43 H new ATOM 0 HD3 LYS A 56 -10.679 -9.166 -27.671 1.00 21.43 H new ATOM 0 HE2 LYS A 56 -12.943 -9.049 -28.624 1.00 40.33 H new ATOM 0 HE3 LYS A 56 -11.784 -8.367 -29.748 1.00 40.33 H new ATOM 0 HZ1 LYS A 56 -13.440 -9.865 -30.784 1.00 62.12 H new ATOM 0 HZ2 LYS A 56 -11.837 -10.354 -31.058 1.00 62.12 H new ATOM 0 HZ3 LYS A 56 -12.788 -11.166 -29.909 1.00 62.12 H new ATOM 859 N GLY A 57 -7.604 -7.444 -28.519 1.00 2.44 N ATOM 860 CA GLY A 57 -6.947 -6.290 -29.164 1.00 63.13 C ATOM 861 C GLY A 57 -5.543 -6.040 -28.611 1.00 53.13 C ATOM 862 O GLY A 57 -4.626 -5.657 -29.347 1.00 23.21 O ATOM 0 H GLY A 57 -8.489 -7.223 -28.062 1.00 2.44 H new ATOM 0 HA2 GLY A 57 -6.887 -6.462 -30.239 1.00 63.13 H new ATOM 0 HA3 GLY A 57 -7.557 -5.399 -29.018 1.00 63.13 H new ATOM 866 N ASN A 58 -5.389 -6.283 -27.298 1.00 30.21 N ATOM 867 CA ASN A 58 -4.101 -6.190 -26.591 1.00 43.32 C ATOM 868 C ASN A 58 -3.206 -7.401 -26.933 1.00 71.43 C ATOM 869 O ASN A 58 -2.021 -7.240 -27.244 1.00 72.13 O ATOM 870 CB ASN A 58 -4.339 -6.140 -25.062 1.00 22.44 C ATOM 871 CG ASN A 58 -5.269 -5.018 -24.595 1.00 53.32 C ATOM 872 OD1 ASN A 58 -6.048 -5.202 -23.655 1.00 54.42 O ATOM 873 ND2 ASN A 58 -5.183 -3.847 -25.209 1.00 32.11 N ATOM 0 H ASN A 58 -6.164 -6.552 -26.692 1.00 30.21 H new ATOM 0 HA ASN A 58 -3.598 -5.277 -26.911 1.00 43.32 H new ATOM 0 HB2 ASN A 58 -4.755 -7.095 -24.742 1.00 22.44 H new ATOM 0 HB3 ASN A 58 -3.377 -6.028 -24.562 1.00 22.44 H new ATOM 0 HD21 ASN A 58 -5.770 -3.069 -24.908 1.00 32.11 H new ATOM 0 HD22 ASN A 58 -4.530 -3.724 -25.983 1.00 32.11 H new ATOM 880 N LEU A 59 -3.812 -8.613 -26.880 1.00 30.31 N ATOM 881 CA LEU A 59 -3.103 -9.894 -27.089 1.00 34.23 C ATOM 882 C LEU A 59 -2.477 -9.964 -28.497 1.00 24.51 C ATOM 883 O LEU A 59 -1.284 -10.185 -28.625 1.00 72.42 O ATOM 884 CB LEU A 59 -4.072 -11.094 -26.897 1.00 71.24 C ATOM 885 CG LEU A 59 -3.440 -12.518 -27.092 1.00 11.34 C ATOM 886 CD1 LEU A 59 -2.436 -12.856 -25.976 1.00 74.10 C ATOM 887 CD2 LEU A 59 -4.517 -13.613 -27.219 1.00 23.33 C ATOM 0 H LEU A 59 -4.808 -8.727 -26.691 1.00 30.31 H new ATOM 0 HA LEU A 59 -2.306 -9.950 -26.348 1.00 34.23 H new ATOM 0 HB2 LEU A 59 -4.495 -11.039 -25.894 1.00 71.24 H new ATOM 0 HB3 LEU A 59 -4.899 -10.985 -27.598 1.00 71.24 H new ATOM 0 HG LEU A 59 -2.890 -12.490 -28.032 1.00 11.34 H new ATOM 0 HD11 LEU A 59 -2.022 -13.849 -26.148 1.00 74.10 H new ATOM 0 HD12 LEU A 59 -1.630 -12.122 -25.977 1.00 74.10 H new ATOM 0 HD13 LEU A 59 -2.944 -12.837 -25.012 1.00 74.10 H new ATOM 0 HD21 LEU A 59 -4.036 -14.582 -27.352 1.00 23.33 H new ATOM 0 HD22 LEU A 59 -5.126 -13.631 -26.315 1.00 23.33 H new ATOM 0 HD23 LEU A 59 -5.152 -13.401 -28.080 1.00 23.33 H new ATOM 899 N LEU A 60 -3.315 -9.741 -29.526 1.00 31.22 N ATOM 900 CA LEU A 60 -2.935 -9.841 -30.952 1.00 21.25 C ATOM 901 C LEU A 60 -1.828 -8.835 -31.324 1.00 61.04 C ATOM 902 O LEU A 60 -0.988 -9.118 -32.189 1.00 13.53 O ATOM 903 CB LEU A 60 -4.189 -9.622 -31.843 1.00 30.12 C ATOM 904 CG LEU A 60 -5.315 -10.694 -31.726 1.00 73.11 C ATOM 905 CD1 LEU A 60 -6.554 -10.294 -32.560 1.00 23.33 C ATOM 906 CD2 LEU A 60 -4.799 -12.093 -32.114 1.00 50.35 C ATOM 0 H LEU A 60 -4.292 -9.482 -29.390 1.00 31.22 H new ATOM 0 HA LEU A 60 -2.534 -10.840 -31.125 1.00 21.25 H new ATOM 0 HB2 LEU A 60 -4.616 -8.649 -31.599 1.00 30.12 H new ATOM 0 HB3 LEU A 60 -3.866 -9.577 -32.883 1.00 30.12 H new ATOM 0 HG LEU A 60 -5.623 -10.740 -30.682 1.00 73.11 H new ATOM 0 HD11 LEU A 60 -7.323 -11.060 -32.460 1.00 23.33 H new ATOM 0 HD12 LEU A 60 -6.942 -9.341 -32.201 1.00 23.33 H new ATOM 0 HD13 LEU A 60 -6.272 -10.199 -33.608 1.00 23.33 H new ATOM 0 HD21 LEU A 60 -5.608 -12.818 -32.022 1.00 50.35 H new ATOM 0 HD22 LEU A 60 -4.442 -12.076 -33.144 1.00 50.35 H new ATOM 0 HD23 LEU A 60 -3.981 -12.376 -31.451 1.00 50.35 H new ATOM 918 N ARG A 61 -1.837 -7.672 -30.660 1.00 51.32 N ATOM 919 CA ARG A 61 -0.793 -6.644 -30.810 1.00 61.03 C ATOM 920 C ARG A 61 0.549 -7.152 -30.246 1.00 42.13 C ATOM 921 O ARG A 61 1.584 -7.077 -30.911 1.00 41.42 O ATOM 922 CB ARG A 61 -1.238 -5.341 -30.082 1.00 70.33 C ATOM 923 CG ARG A 61 -0.164 -4.223 -29.992 1.00 42.43 C ATOM 924 CD ARG A 61 -0.695 -2.943 -29.318 1.00 55.33 C ATOM 925 NE ARG A 61 0.373 -1.955 -29.070 1.00 71.33 N ATOM 926 CZ ARG A 61 0.273 -0.623 -29.247 1.00 2.13 C ATOM 927 NH1 ARG A 61 -0.851 -0.066 -29.692 1.00 34.20 N ATOM 928 NH2 ARG A 61 1.305 0.148 -28.935 1.00 23.14 N ATOM 0 H ARG A 61 -2.571 -7.414 -30.000 1.00 51.32 H new ATOM 0 HA ARG A 61 -0.652 -6.428 -31.869 1.00 61.03 H new ATOM 0 HB2 ARG A 61 -2.112 -4.940 -30.595 1.00 70.33 H new ATOM 0 HB3 ARG A 61 -1.553 -5.600 -29.071 1.00 70.33 H new ATOM 0 HG2 ARG A 61 0.695 -4.594 -29.433 1.00 42.43 H new ATOM 0 HG3 ARG A 61 0.189 -3.982 -30.995 1.00 42.43 H new ATOM 0 HD2 ARG A 61 -1.462 -2.494 -29.949 1.00 55.33 H new ATOM 0 HD3 ARG A 61 -1.172 -3.204 -28.373 1.00 55.33 H new ATOM 0 HE ARG A 61 1.267 -2.313 -28.734 1.00 71.33 H new ATOM 0 HH11 ARG A 61 -1.659 -0.650 -29.907 1.00 34.20 H new ATOM 0 HH12 ARG A 61 -0.904 0.945 -29.818 1.00 34.20 H new ATOM 0 HH21 ARG A 61 2.160 -0.269 -28.566 1.00 23.14 H new ATOM 0 HH22 ARG A 61 1.244 1.158 -29.064 1.00 23.14 H new ATOM 942 N HIS A 62 0.479 -7.730 -29.044 1.00 62.24 N ATOM 943 CA HIS A 62 1.655 -8.104 -28.240 1.00 44.12 C ATOM 944 C HIS A 62 2.369 -9.362 -28.793 1.00 44.40 C ATOM 945 O HIS A 62 3.594 -9.380 -28.910 1.00 73.53 O ATOM 946 CB HIS A 62 1.187 -8.321 -26.786 1.00 74.32 C ATOM 947 CG HIS A 62 2.269 -8.636 -25.796 1.00 1.12 C ATOM 948 ND1 HIS A 62 2.778 -7.717 -24.901 1.00 41.34 N ATOM 949 CD2 HIS A 62 2.893 -9.807 -25.526 1.00 64.22 C ATOM 950 CE1 HIS A 62 3.670 -8.338 -24.133 1.00 54.53 C ATOM 951 NE2 HIS A 62 3.780 -9.618 -24.474 1.00 53.13 N ATOM 0 H HIS A 62 -0.407 -7.956 -28.592 1.00 62.24 H new ATOM 0 HA HIS A 62 2.391 -7.301 -28.285 1.00 44.12 H new ATOM 0 HB2 HIS A 62 0.665 -7.423 -26.454 1.00 74.32 H new ATOM 0 HB3 HIS A 62 0.461 -9.134 -26.775 1.00 74.32 H new ATOM 0 HD1 HIS A 62 2.516 -6.733 -24.839 1.00 41.34 H new ATOM 0 HD2 HIS A 62 2.727 -10.739 -26.046 1.00 64.22 H new ATOM 0 HE1 HIS A 62 4.229 -7.865 -23.339 1.00 54.53 H new ATOM 959 N ILE A 63 1.590 -10.412 -29.099 1.00 51.54 N ATOM 960 CA ILE A 63 2.122 -11.690 -29.638 1.00 45.34 C ATOM 961 C ILE A 63 2.702 -11.500 -31.058 1.00 40.14 C ATOM 962 O ILE A 63 3.569 -12.269 -31.490 1.00 31.25 O ATOM 963 CB ILE A 63 1.051 -12.850 -29.610 1.00 14.02 C ATOM 964 CG1 ILE A 63 -0.153 -12.551 -30.557 1.00 42.22 C ATOM 965 CG2 ILE A 63 0.572 -13.092 -28.162 1.00 24.31 C ATOM 966 CD1 ILE A 63 -1.253 -13.608 -30.573 1.00 14.12 C ATOM 0 H ILE A 63 0.577 -10.407 -28.983 1.00 51.54 H new ATOM 0 HA ILE A 63 2.934 -11.995 -28.977 1.00 45.34 H new ATOM 0 HB ILE A 63 1.527 -13.758 -29.980 1.00 14.02 H new ATOM 0 HG12 ILE A 63 -0.594 -11.597 -30.266 1.00 42.22 H new ATOM 0 HG13 ILE A 63 0.226 -12.431 -31.572 1.00 42.22 H new ATOM 0 HG21 ILE A 63 -0.166 -13.894 -28.152 1.00 24.31 H new ATOM 0 HG22 ILE A 63 1.422 -13.374 -27.540 1.00 24.31 H new ATOM 0 HG23 ILE A 63 0.122 -12.180 -27.770 1.00 24.31 H new ATOM 0 HD11 ILE A 63 -2.041 -13.303 -31.262 1.00 14.12 H new ATOM 0 HD12 ILE A 63 -0.836 -14.562 -30.897 1.00 14.12 H new ATOM 0 HD13 ILE A 63 -1.669 -13.715 -29.571 1.00 14.12 H new ATOM 978 N LYS A 64 2.192 -10.474 -31.777 1.00 54.22 N ATOM 979 CA LYS A 64 2.771 -10.018 -33.052 1.00 13.00 C ATOM 980 C LYS A 64 4.205 -9.489 -32.835 1.00 3.20 C ATOM 981 O LYS A 64 5.088 -9.749 -33.649 1.00 4.34 O ATOM 982 CB LYS A 64 1.892 -8.910 -33.670 1.00 11.25 C ATOM 983 CG LYS A 64 2.384 -8.372 -35.039 1.00 0.34 C ATOM 984 CD LYS A 64 1.598 -7.132 -35.511 1.00 73.40 C ATOM 985 CE LYS A 64 1.773 -5.929 -34.569 1.00 24.51 C ATOM 986 NZ LYS A 64 3.195 -5.499 -34.457 1.00 21.42 N ATOM 0 H LYS A 64 1.370 -9.944 -31.487 1.00 54.22 H new ATOM 0 HA LYS A 64 2.809 -10.866 -33.736 1.00 13.00 H new ATOM 0 HB2 LYS A 64 0.879 -9.295 -33.790 1.00 11.25 H new ATOM 0 HB3 LYS A 64 1.836 -8.078 -32.968 1.00 11.25 H new ATOM 0 HG2 LYS A 64 3.442 -8.120 -34.966 1.00 0.34 H new ATOM 0 HG3 LYS A 64 2.295 -9.160 -35.787 1.00 0.34 H new ATOM 0 HD2 LYS A 64 1.928 -6.856 -36.512 1.00 73.40 H new ATOM 0 HD3 LYS A 64 0.540 -7.382 -35.582 1.00 73.40 H new ATOM 0 HE2 LYS A 64 1.172 -5.096 -34.932 1.00 24.51 H new ATOM 0 HE3 LYS A 64 1.395 -6.187 -33.580 1.00 24.51 H new ATOM 0 HZ1 LYS A 64 3.262 -4.686 -33.812 1.00 21.42 H new ATOM 0 HZ2 LYS A 64 3.767 -6.284 -34.085 1.00 21.42 H new ATOM 0 HZ3 LYS A 64 3.550 -5.226 -35.396 1.00 21.42 H new ATOM 1000 N LEU A 65 4.421 -8.769 -31.707 1.00 71.15 N ATOM 1001 CA LEU A 65 5.738 -8.187 -31.340 1.00 70.53 C ATOM 1002 C LEU A 65 6.760 -9.276 -30.943 1.00 51.13 C ATOM 1003 O LEU A 65 7.964 -9.008 -30.863 1.00 3.33 O ATOM 1004 CB LEU A 65 5.567 -7.161 -30.181 1.00 1.12 C ATOM 1005 CG LEU A 65 4.586 -5.977 -30.445 1.00 23.31 C ATOM 1006 CD1 LEU A 65 4.399 -5.105 -29.187 1.00 43.10 C ATOM 1007 CD2 LEU A 65 5.035 -5.131 -31.653 1.00 53.23 C ATOM 0 H LEU A 65 3.688 -8.575 -31.025 1.00 71.15 H new ATOM 0 HA LEU A 65 6.129 -7.676 -32.220 1.00 70.53 H new ATOM 0 HB2 LEU A 65 5.225 -7.698 -29.296 1.00 1.12 H new ATOM 0 HB3 LEU A 65 6.547 -6.747 -29.943 1.00 1.12 H new ATOM 0 HG LEU A 65 3.616 -6.409 -30.690 1.00 23.31 H new ATOM 0 HD11 LEU A 65 3.709 -4.290 -29.408 1.00 43.10 H new ATOM 0 HD12 LEU A 65 3.994 -5.714 -28.379 1.00 43.10 H new ATOM 0 HD13 LEU A 65 5.361 -4.693 -28.883 1.00 43.10 H new ATOM 0 HD21 LEU A 65 4.329 -4.315 -31.808 1.00 53.23 H new ATOM 0 HD22 LEU A 65 6.027 -4.721 -31.462 1.00 53.23 H new ATOM 0 HD23 LEU A 65 5.067 -5.758 -32.544 1.00 53.23 H new ATOM 1019 N HIS A 66 6.264 -10.504 -30.682 1.00 52.03 N ATOM 1020 CA HIS A 66 7.115 -11.688 -30.412 1.00 52.44 C ATOM 1021 C HIS A 66 7.702 -12.284 -31.717 1.00 62.31 C ATOM 1022 O HIS A 66 8.555 -13.186 -31.666 1.00 73.21 O ATOM 1023 CB HIS A 66 6.313 -12.768 -29.625 1.00 13.15 C ATOM 1024 CG HIS A 66 6.231 -12.515 -28.141 1.00 41.32 C ATOM 1025 ND1 HIS A 66 7.154 -13.014 -27.243 1.00 53.51 N ATOM 1026 CD2 HIS A 66 5.328 -11.825 -27.396 1.00 42.25 C ATOM 1027 CE1 HIS A 66 6.803 -12.631 -26.021 1.00 2.52 C ATOM 1028 NE2 HIS A 66 5.699 -11.902 -26.053 1.00 50.45 N ATOM 0 H HIS A 66 5.264 -10.705 -30.652 1.00 52.03 H new ATOM 0 HA HIS A 66 7.954 -11.358 -29.799 1.00 52.44 H new ATOM 0 HB2 HIS A 66 5.302 -12.821 -30.030 1.00 13.15 H new ATOM 0 HB3 HIS A 66 6.775 -13.741 -29.792 1.00 13.15 H new ATOM 0 HD1 HIS A 66 7.968 -13.581 -27.479 1.00 53.51 H new ATOM 0 HD2 HIS A 66 4.464 -11.303 -27.780 1.00 42.25 H new ATOM 0 HE1 HIS A 66 7.346 -12.881 -25.121 1.00 2.52 H new ATOM 1036 N SER A 67 7.236 -11.779 -32.867 1.00 51.22 N ATOM 1037 CA SER A 67 7.768 -12.134 -34.201 1.00 13.44 C ATOM 1038 C SER A 67 7.828 -10.853 -35.057 1.00 54.45 C ATOM 1039 O SER A 67 7.678 -9.736 -34.527 1.00 14.33 O ATOM 1040 CB SER A 67 6.853 -13.228 -34.842 1.00 13.32 C ATOM 1041 OG SER A 67 7.377 -13.727 -36.068 1.00 60.13 O ATOM 0 H SER A 67 6.471 -11.105 -32.904 1.00 51.22 H new ATOM 0 HA SER A 67 8.775 -12.546 -34.131 1.00 13.44 H new ATOM 0 HB2 SER A 67 6.732 -14.053 -34.140 1.00 13.32 H new ATOM 0 HB3 SER A 67 5.861 -12.811 -35.017 1.00 13.32 H new ATOM 0 HG SER A 67 6.772 -14.408 -36.429 1.00 60.13 H new ATOM 1047 N GLY A 68 8.098 -10.997 -36.361 1.00 52.22 N ATOM 1048 CA GLY A 68 7.870 -9.904 -37.307 1.00 52.34 C ATOM 1049 C GLY A 68 6.382 -9.754 -37.570 1.00 2.13 C ATOM 1050 O GLY A 68 5.800 -8.681 -37.367 1.00 25.32 O ATOM 0 H GLY A 68 8.470 -11.850 -36.779 1.00 52.22 H new ATOM 0 HA2 GLY A 68 8.273 -8.974 -36.907 1.00 52.34 H new ATOM 0 HA3 GLY A 68 8.395 -10.103 -38.241 1.00 52.34 H new ATOM 1054 N GLU A 69 5.772 -10.883 -37.958 1.00 73.35 N ATOM 1055 CA GLU A 69 4.341 -11.031 -38.230 1.00 71.22 C ATOM 1056 C GLU A 69 3.919 -12.397 -37.680 1.00 32.44 C ATOM 1057 O GLU A 69 4.521 -13.426 -38.026 1.00 44.42 O ATOM 1058 CB GLU A 69 4.023 -10.935 -39.754 1.00 22.33 C ATOM 1059 CG GLU A 69 4.225 -9.534 -40.383 1.00 61.31 C ATOM 1060 CD GLU A 69 3.197 -8.491 -39.898 1.00 52.11 C ATOM 1061 OE1 GLU A 69 3.437 -7.815 -38.875 1.00 62.32 O ATOM 1062 OE2 GLU A 69 2.133 -8.357 -40.532 1.00 71.31 O ATOM 0 H GLU A 69 6.287 -11.753 -38.096 1.00 73.35 H new ATOM 0 HA GLU A 69 3.789 -10.223 -37.751 1.00 71.22 H new ATOM 0 HB2 GLU A 69 4.652 -11.649 -40.286 1.00 22.33 H new ATOM 0 HB3 GLU A 69 2.989 -11.241 -39.913 1.00 22.33 H new ATOM 0 HG2 GLU A 69 5.229 -9.180 -40.149 1.00 61.31 H new ATOM 0 HG3 GLU A 69 4.162 -9.618 -41.468 1.00 61.31 H new ATOM 1069 N LYS A 70 2.899 -12.389 -36.818 1.00 60.14 N ATOM 1070 CA LYS A 70 2.437 -13.576 -36.075 1.00 21.25 C ATOM 1071 C LYS A 70 1.597 -14.531 -36.968 1.00 32.45 C ATOM 1072 O LYS A 70 1.084 -14.107 -38.015 1.00 61.24 O ATOM 1073 CB LYS A 70 1.578 -13.101 -34.878 1.00 61.40 C ATOM 1074 CG LYS A 70 0.255 -12.420 -35.302 1.00 71.24 C ATOM 1075 CD LYS A 70 -0.590 -11.925 -34.117 1.00 45.24 C ATOM 1076 CE LYS A 70 -1.833 -11.144 -34.580 1.00 74.20 C ATOM 1077 NZ LYS A 70 -1.470 -9.905 -35.329 1.00 63.03 N ATOM 0 H LYS A 70 2.360 -11.549 -36.610 1.00 60.14 H new ATOM 0 HA LYS A 70 3.311 -14.131 -35.734 1.00 21.25 H new ATOM 0 HB2 LYS A 70 1.350 -13.956 -34.242 1.00 61.40 H new ATOM 0 HB3 LYS A 70 2.161 -12.403 -34.277 1.00 61.40 H new ATOM 0 HG2 LYS A 70 0.483 -11.576 -35.953 1.00 71.24 H new ATOM 0 HG3 LYS A 70 -0.335 -13.124 -35.889 1.00 71.24 H new ATOM 0 HD2 LYS A 70 -0.902 -12.777 -33.513 1.00 45.24 H new ATOM 0 HD3 LYS A 70 0.021 -11.288 -33.478 1.00 45.24 H new ATOM 0 HE2 LYS A 70 -2.447 -11.784 -35.214 1.00 74.20 H new ATOM 0 HE3 LYS A 70 -2.438 -10.879 -33.713 1.00 74.20 H new ATOM 0 HZ1 LYS A 70 -1.913 -9.082 -34.873 1.00 63.03 H new ATOM 0 HZ2 LYS A 70 -0.437 -9.788 -35.326 1.00 63.03 H new ATOM 0 HZ3 LYS A 70 -1.807 -9.981 -36.310 1.00 63.03 H new ATOM 1091 N PRO A 71 1.442 -15.833 -36.577 1.00 61.15 N ATOM 1092 CA PRO A 71 0.446 -16.732 -37.208 1.00 10.53 C ATOM 1093 C PRO A 71 -0.997 -16.460 -36.698 1.00 43.40 C ATOM 1094 O PRO A 71 -1.507 -17.156 -35.806 1.00 62.41 O ATOM 1095 CB PRO A 71 0.964 -18.141 -36.821 1.00 74.31 C ATOM 1096 CG PRO A 71 1.642 -17.931 -35.493 1.00 35.53 C ATOM 1097 CD PRO A 71 2.267 -16.550 -35.557 1.00 41.10 C ATOM 0 HA PRO A 71 0.363 -16.595 -38.286 1.00 10.53 H new ATOM 0 HB2 PRO A 71 0.147 -18.858 -36.742 1.00 74.31 H new ATOM 0 HB3 PRO A 71 1.658 -18.529 -37.566 1.00 74.31 H new ATOM 0 HG2 PRO A 71 0.926 -17.998 -34.674 1.00 35.53 H new ATOM 0 HG3 PRO A 71 2.400 -18.694 -35.317 1.00 35.53 H new ATOM 0 HD2 PRO A 71 2.231 -16.049 -34.589 1.00 41.10 H new ATOM 0 HD3 PRO A 71 3.315 -16.598 -35.852 1.00 41.10 H new ATOM 1105 N PHE A 72 -1.629 -15.407 -37.245 1.00 41.54 N ATOM 1106 CA PHE A 72 -3.046 -15.068 -36.961 1.00 14.43 C ATOM 1107 C PHE A 72 -3.976 -15.997 -37.767 1.00 31.24 C ATOM 1108 O PHE A 72 -5.057 -16.381 -37.301 1.00 62.11 O ATOM 1109 CB PHE A 72 -3.318 -13.575 -37.299 1.00 34.44 C ATOM 1110 CG PHE A 72 -4.765 -13.098 -37.095 1.00 45.40 C ATOM 1111 CD1 PHE A 72 -5.240 -12.769 -35.824 1.00 3.23 C ATOM 1112 CD2 PHE A 72 -5.656 -12.999 -38.172 1.00 41.21 C ATOM 1113 CE1 PHE A 72 -6.541 -12.342 -35.642 1.00 50.32 C ATOM 1114 CE2 PHE A 72 -6.954 -12.573 -37.985 1.00 40.22 C ATOM 1115 CZ PHE A 72 -7.401 -12.254 -36.719 1.00 0.34 C ATOM 0 H PHE A 72 -1.178 -14.764 -37.896 1.00 41.54 H new ATOM 0 HA PHE A 72 -3.247 -15.215 -35.900 1.00 14.43 H new ATOM 0 HB2 PHE A 72 -2.662 -12.957 -36.686 1.00 34.44 H new ATOM 0 HB3 PHE A 72 -3.041 -13.401 -38.339 1.00 34.44 H new ATOM 0 HD1 PHE A 72 -4.581 -12.849 -34.972 1.00 3.23 H new ATOM 0 HD2 PHE A 72 -5.321 -13.261 -39.165 1.00 41.21 H new ATOM 0 HE1 PHE A 72 -6.887 -12.076 -34.654 1.00 50.32 H new ATOM 0 HE2 PHE A 72 -7.621 -12.489 -38.830 1.00 40.22 H new ATOM 0 HZ PHE A 72 -8.422 -11.936 -36.571 1.00 0.34 H new ATOM 1125 N LYS A 73 -3.538 -16.330 -38.989 1.00 52.31 N ATOM 1126 CA LYS A 73 -4.246 -17.252 -39.899 1.00 52.51 C ATOM 1127 C LYS A 73 -3.354 -18.500 -40.171 1.00 11.21 C ATOM 1128 O LYS A 73 -3.469 -19.489 -39.422 1.00 32.32 O ATOM 1129 CB LYS A 73 -4.682 -16.504 -41.204 1.00 45.44 C ATOM 1130 CG LYS A 73 -3.594 -15.626 -41.881 1.00 24.35 C ATOM 1131 CD LYS A 73 -4.090 -14.966 -43.192 1.00 32.22 C ATOM 1132 CE LYS A 73 -5.311 -14.051 -42.981 1.00 20.24 C ATOM 1133 NZ LYS A 73 -5.785 -13.443 -44.257 1.00 71.23 N ATOM 1134 OXT LYS A 73 -2.508 -18.483 -41.090 1.00 38.16 O ATOM 0 H LYS A 73 -2.671 -15.964 -39.382 1.00 52.31 H new ATOM 0 HA LYS A 73 -5.165 -17.610 -39.434 1.00 52.51 H new ATOM 0 HB2 LYS A 73 -5.024 -17.245 -41.927 1.00 45.44 H new ATOM 0 HB3 LYS A 73 -5.537 -15.870 -40.968 1.00 45.44 H new ATOM 0 HG2 LYS A 73 -3.275 -14.849 -41.186 1.00 24.35 H new ATOM 0 HG3 LYS A 73 -2.719 -16.240 -42.096 1.00 24.35 H new ATOM 0 HD2 LYS A 73 -3.278 -14.384 -43.629 1.00 32.22 H new ATOM 0 HD3 LYS A 73 -4.346 -15.745 -43.910 1.00 32.22 H new ATOM 0 HE2 LYS A 73 -6.121 -14.626 -42.531 1.00 20.24 H new ATOM 0 HE3 LYS A 73 -5.053 -13.260 -42.277 1.00 20.24 H new ATOM 0 HZ1 LYS A 73 -6.608 -12.835 -44.068 1.00 71.23 H new ATOM 0 HZ2 LYS A 73 -5.022 -12.873 -44.674 1.00 71.23 H new ATOM 0 HZ3 LYS A 73 -6.057 -14.196 -44.921 1.00 71.23 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.132 -10.994 -24.439 1.00 1.02 ZN