USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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 37 SER OG : rot 80:sc= 1.02 USER MOD Set 1.2: A 38 HIS : no HD1:sc= 1.08 K(o=2.3,f=-3.9) USER MOD Set 1.3: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 55 GLN : amide:sc= 0.183 K(o=2.3,f=-2.2) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0.695 K(o=1.5,f=-0.25) USER MOD Set 2.2: A 9 SER OG : rot 65:sc= 0.822 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.996 (180deg=0.149!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.027) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 142:sc= -0.891 (180deg=-3.01!) USER MOD Single : A 18 CYS SG : rot -5:sc= -0.0699 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -155:sc= -0.0305 (180deg=-1.27) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.215 K(o=-0.22,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 X(o=0,f=-0.054) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0378) USER MOD Single : A 39 THR OG1 : rot 1:sc= 0.539 USER MOD Single : A 45 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.5) USER MOD Single : A 46 CYS SG : rot -157:sc= -2.3! USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 CYS SG : rot -152:sc= -0.523! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.47! C(o=-1.5!,f=-4.2!) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0416 (180deg=-0.19) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 137:sc= 0.929 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -36.775 72.393 -63.455 1.00 71.32 N ATOM 2 CA MET A 1 -37.197 72.170 -62.045 1.00 2.11 C ATOM 3 C MET A 1 -37.824 70.769 -61.923 1.00 44.23 C ATOM 4 O MET A 1 -38.635 70.376 -62.772 1.00 41.14 O ATOM 5 CB MET A 1 -38.201 73.260 -61.580 1.00 44.51 C ATOM 6 CG MET A 1 -37.701 74.712 -61.720 1.00 61.45 C ATOM 7 SD MET A 1 -37.471 75.211 -63.452 1.00 22.55 S ATOM 8 CE MET A 1 -37.105 76.966 -63.289 1.00 22.33 C ATOM 0 H1 MET A 1 -36.883 73.399 -63.695 1.00 71.32 H new ATOM 0 H2 MET A 1 -35.779 72.115 -63.567 1.00 71.32 H new ATOM 0 H3 MET A 1 -37.368 71.820 -64.089 1.00 71.32 H new ATOM 0 HA MET A 1 -36.322 72.236 -61.399 1.00 2.11 H new ATOM 0 HB2 MET A 1 -39.122 73.152 -62.153 1.00 44.51 H new ATOM 0 HB3 MET A 1 -38.453 73.078 -60.535 1.00 44.51 H new ATOM 0 HG2 MET A 1 -38.414 75.385 -61.244 1.00 61.45 H new ATOM 0 HG3 MET A 1 -36.756 74.820 -61.187 1.00 61.45 H new ATOM 0 HE1 MET A 1 -36.942 77.397 -64.277 1.00 22.33 H new ATOM 0 HE2 MET A 1 -37.943 77.469 -62.807 1.00 22.33 H new ATOM 0 HE3 MET A 1 -36.208 77.096 -62.684 1.00 22.33 H new ATOM 20 N GLY A 2 -37.429 70.026 -60.868 1.00 32.52 N ATOM 21 CA GLY A 2 -37.884 68.649 -60.648 1.00 42.43 C ATOM 22 C GLY A 2 -37.168 68.031 -59.449 1.00 3.33 C ATOM 23 O GLY A 2 -37.364 68.496 -58.319 1.00 52.20 O ATOM 0 H GLY A 2 -36.789 70.367 -60.151 1.00 32.52 H new ATOM 0 HA2 GLY A 2 -38.961 68.639 -60.480 1.00 42.43 H new ATOM 0 HA3 GLY A 2 -37.695 68.051 -61.539 1.00 42.43 H new ATOM 27 N HIS A 3 -36.323 67.004 -59.709 1.00 63.14 N ATOM 28 CA HIS A 3 -35.529 66.281 -58.677 1.00 3.42 C ATOM 29 C HIS A 3 -36.433 65.625 -57.607 1.00 51.31 C ATOM 30 O HIS A 3 -36.712 66.219 -56.557 1.00 13.02 O ATOM 31 CB HIS A 3 -34.432 67.193 -58.026 1.00 60.31 C ATOM 32 CG HIS A 3 -33.323 67.594 -58.970 1.00 74.03 C ATOM 33 ND1 HIS A 3 -32.942 68.904 -59.189 1.00 72.24 N ATOM 34 CD2 HIS A 3 -32.489 66.838 -59.731 1.00 74.11 C ATOM 35 CE1 HIS A 3 -31.932 68.932 -60.038 1.00 44.33 C ATOM 36 NE2 HIS A 3 -31.643 67.696 -60.385 1.00 73.14 N ATOM 0 H HIS A 3 -36.169 66.647 -60.652 1.00 63.14 H new ATOM 0 HA HIS A 3 -35.006 65.477 -59.195 1.00 3.42 H new ATOM 0 HB2 HIS A 3 -34.907 68.094 -57.638 1.00 60.31 H new ATOM 0 HB3 HIS A 3 -33.998 66.669 -57.174 1.00 60.31 H new ATOM 0 HD2 HIS A 3 -32.492 65.761 -59.807 1.00 74.11 H new ATOM 0 HE1 HIS A 3 -31.427 69.820 -60.389 1.00 44.33 H new ATOM 0 HE2 HIS A 3 -30.908 67.421 -61.036 1.00 73.14 H new ATOM 45 N HIS A 4 -36.923 64.408 -57.912 1.00 55.11 N ATOM 46 CA HIS A 4 -37.769 63.608 -57.007 1.00 51.41 C ATOM 47 C HIS A 4 -37.258 62.157 -56.986 1.00 35.15 C ATOM 48 O HIS A 4 -37.624 61.342 -57.848 1.00 23.14 O ATOM 49 CB HIS A 4 -39.255 63.664 -57.458 1.00 72.20 C ATOM 50 CG HIS A 4 -39.850 65.045 -57.474 1.00 23.33 C ATOM 51 ND1 HIS A 4 -40.104 65.741 -58.636 1.00 70.04 N ATOM 52 CD2 HIS A 4 -40.228 65.862 -56.462 1.00 13.33 C ATOM 53 CE1 HIS A 4 -40.604 66.920 -58.339 1.00 50.33 C ATOM 54 NE2 HIS A 4 -40.693 67.017 -57.029 1.00 52.35 N ATOM 0 H HIS A 4 -36.740 63.948 -58.804 1.00 55.11 H new ATOM 0 HA HIS A 4 -37.712 64.021 -56.000 1.00 51.41 H new ATOM 0 HB2 HIS A 4 -39.335 63.236 -58.457 1.00 72.20 H new ATOM 0 HB3 HIS A 4 -39.847 63.035 -56.794 1.00 72.20 H new ATOM 0 HD2 HIS A 4 -40.173 65.643 -55.406 1.00 13.33 H new ATOM 0 HE1 HIS A 4 -40.893 67.680 -59.049 1.00 50.33 H new ATOM 0 HE2 HIS A 4 -41.051 67.824 -56.519 1.00 52.35 H new ATOM 63 N HIS A 5 -36.360 61.858 -56.028 1.00 61.33 N ATOM 64 CA HIS A 5 -35.814 60.509 -55.821 1.00 60.44 C ATOM 65 C HIS A 5 -36.493 59.881 -54.589 1.00 5.51 C ATOM 66 O HIS A 5 -36.001 60.009 -53.456 1.00 40.25 O ATOM 67 CB HIS A 5 -34.264 60.578 -55.654 1.00 41.52 C ATOM 68 CG HIS A 5 -33.557 59.240 -55.676 1.00 2.02 C ATOM 69 ND1 HIS A 5 -32.829 58.787 -56.757 1.00 75.22 N ATOM 70 CD2 HIS A 5 -33.460 58.263 -54.741 1.00 25.41 C ATOM 71 CE1 HIS A 5 -32.329 57.600 -56.482 1.00 2.30 C ATOM 72 NE2 HIS A 5 -32.695 57.255 -55.270 1.00 0.01 N ATOM 0 H HIS A 5 -35.993 62.550 -55.375 1.00 61.33 H new ATOM 0 HA HIS A 5 -36.019 59.881 -56.688 1.00 60.44 H new ATOM 0 HB2 HIS A 5 -33.855 61.201 -56.450 1.00 41.52 H new ATOM 0 HB3 HIS A 5 -34.037 61.076 -54.711 1.00 41.52 H new ATOM 0 HD2 HIS A 5 -33.905 58.276 -53.757 1.00 25.41 H new ATOM 0 HE1 HIS A 5 -31.717 57.007 -57.146 1.00 2.30 H new ATOM 0 HE2 HIS A 5 -32.451 56.383 -54.800 1.00 0.01 H new ATOM 81 N HIS A 6 -37.660 59.258 -54.810 1.00 5.10 N ATOM 82 CA HIS A 6 -38.405 58.549 -53.760 1.00 61.21 C ATOM 83 C HIS A 6 -37.930 57.089 -53.686 1.00 65.34 C ATOM 84 O HIS A 6 -37.766 56.419 -54.719 1.00 60.12 O ATOM 85 CB HIS A 6 -39.939 58.612 -54.015 1.00 13.51 C ATOM 86 CG HIS A 6 -40.764 58.029 -52.890 1.00 70.03 C ATOM 87 ND1 HIS A 6 -41.041 58.725 -51.735 1.00 23.42 N ATOM 88 CD2 HIS A 6 -41.305 56.795 -52.711 1.00 71.24 C ATOM 89 CE1 HIS A 6 -41.709 57.956 -50.905 1.00 33.34 C ATOM 90 NE2 HIS A 6 -41.883 56.783 -51.470 1.00 71.45 N ATOM 0 H HIS A 6 -38.114 59.232 -55.723 1.00 5.10 H new ATOM 0 HA HIS A 6 -38.210 59.040 -52.806 1.00 61.21 H new ATOM 0 HB2 HIS A 6 -40.231 59.651 -54.168 1.00 13.51 H new ATOM 0 HB3 HIS A 6 -40.168 58.078 -54.937 1.00 13.51 H new ATOM 0 HD2 HIS A 6 -41.283 55.977 -53.416 1.00 71.24 H new ATOM 0 HE1 HIS A 6 -42.057 58.241 -49.923 1.00 33.34 H new ATOM 0 HE2 HIS A 6 -42.370 55.991 -51.051 1.00 71.45 H new ATOM 99 N HIS A 7 -37.727 56.606 -52.452 1.00 55.14 N ATOM 100 CA HIS A 7 -37.227 55.247 -52.168 1.00 42.44 C ATOM 101 C HIS A 7 -38.405 54.289 -51.928 1.00 1.04 C ATOM 102 O HIS A 7 -39.416 54.674 -51.321 1.00 62.43 O ATOM 103 CB HIS A 7 -36.298 55.270 -50.927 1.00 1.45 C ATOM 104 CG HIS A 7 -35.137 56.230 -51.036 1.00 21.03 C ATOM 105 ND1 HIS A 7 -33.841 55.829 -51.290 1.00 21.51 N ATOM 106 CD2 HIS A 7 -35.083 57.579 -50.904 1.00 65.41 C ATOM 107 CE1 HIS A 7 -33.050 56.881 -51.294 1.00 33.42 C ATOM 108 NE2 HIS A 7 -33.778 57.954 -51.066 1.00 52.43 N ATOM 0 H HIS A 7 -37.907 57.153 -51.610 1.00 55.14 H new ATOM 0 HA HIS A 7 -36.657 54.895 -53.028 1.00 42.44 H new ATOM 0 HB2 HIS A 7 -36.890 55.532 -50.050 1.00 1.45 H new ATOM 0 HB3 HIS A 7 -35.909 54.265 -50.760 1.00 1.45 H new ATOM 0 HD2 HIS A 7 -35.917 58.236 -50.707 1.00 65.41 H new ATOM 0 HE1 HIS A 7 -31.982 56.866 -51.457 1.00 33.42 H new ATOM 0 HE2 HIS A 7 -33.426 58.910 -51.018 1.00 52.43 H new ATOM 117 N HIS A 8 -38.252 53.046 -52.393 1.00 50.43 N ATOM 118 CA HIS A 8 -39.284 51.997 -52.281 1.00 30.11 C ATOM 119 C HIS A 8 -38.626 50.620 -52.473 1.00 64.32 C ATOM 120 O HIS A 8 -37.715 50.481 -53.301 1.00 74.43 O ATOM 121 CB HIS A 8 -40.411 52.226 -53.329 1.00 40.30 C ATOM 122 CG HIS A 8 -41.594 51.296 -53.191 1.00 35.55 C ATOM 123 ND1 HIS A 8 -41.738 50.136 -53.925 1.00 14.03 N ATOM 124 CD2 HIS A 8 -42.701 51.374 -52.405 1.00 5.21 C ATOM 125 CE1 HIS A 8 -42.872 49.549 -53.601 1.00 44.01 C ATOM 126 NE2 HIS A 8 -43.469 50.273 -52.677 1.00 43.43 N ATOM 0 H HIS A 8 -37.403 52.731 -52.863 1.00 50.43 H new ATOM 0 HA HIS A 8 -39.740 52.039 -51.292 1.00 30.11 H new ATOM 0 HB2 HIS A 8 -40.762 53.255 -53.247 1.00 40.30 H new ATOM 0 HB3 HIS A 8 -39.990 52.112 -54.328 1.00 40.30 H new ATOM 0 HD2 HIS A 8 -42.931 52.158 -51.698 1.00 5.21 H new ATOM 0 HE1 HIS A 8 -43.249 48.629 -54.022 1.00 44.01 H new ATOM 0 HE2 HIS A 8 -44.361 50.050 -52.235 1.00 43.43 H new ATOM 135 N SER A 9 -39.089 49.618 -51.682 1.00 34.30 N ATOM 136 CA SER A 9 -38.575 48.225 -51.701 1.00 64.34 C ATOM 137 C SER A 9 -37.091 48.174 -51.270 1.00 62.45 C ATOM 138 O SER A 9 -36.314 47.328 -51.731 1.00 25.14 O ATOM 139 CB SER A 9 -38.799 47.578 -53.092 1.00 2.04 C ATOM 140 OG SER A 9 -40.170 47.631 -53.468 1.00 31.24 O ATOM 0 H SER A 9 -39.839 49.757 -51.005 1.00 34.30 H new ATOM 0 HA SER A 9 -39.138 47.640 -50.974 1.00 64.34 H new ATOM 0 HB2 SER A 9 -38.194 48.094 -53.838 1.00 2.04 H new ATOM 0 HB3 SER A 9 -38.464 46.541 -53.072 1.00 2.04 H new ATOM 0 HG SER A 9 -40.441 48.565 -53.584 1.00 31.24 H new ATOM 146 N HIS A 10 -36.728 49.077 -50.335 1.00 51.33 N ATOM 147 CA HIS A 10 -35.349 49.211 -49.817 1.00 60.35 C ATOM 148 C HIS A 10 -35.029 48.139 -48.758 1.00 23.41 C ATOM 149 O HIS A 10 -33.860 47.874 -48.478 1.00 74.31 O ATOM 150 CB HIS A 10 -35.149 50.643 -49.229 1.00 65.33 C ATOM 151 CG HIS A 10 -33.772 50.903 -48.656 1.00 34.31 C ATOM 152 ND1 HIS A 10 -32.662 51.116 -49.441 1.00 72.45 N ATOM 153 CD2 HIS A 10 -33.332 50.977 -47.373 1.00 21.11 C ATOM 154 CE1 HIS A 10 -31.603 51.290 -48.673 1.00 2.32 C ATOM 155 NE2 HIS A 10 -31.982 51.213 -47.418 1.00 33.02 N ATOM 0 H HIS A 10 -37.385 49.736 -49.917 1.00 51.33 H new ATOM 0 HA HIS A 10 -34.657 49.059 -50.645 1.00 60.35 H new ATOM 0 HB2 HIS A 10 -35.346 51.374 -50.013 1.00 65.33 H new ATOM 0 HB3 HIS A 10 -35.890 50.807 -48.447 1.00 65.33 H new ATOM 0 HD2 HIS A 10 -33.934 50.870 -46.483 1.00 21.11 H new ATOM 0 HE1 HIS A 10 -30.595 51.466 -49.018 1.00 2.32 H new ATOM 0 HE2 HIS A 10 -31.371 51.313 -46.608 1.00 33.02 H new ATOM 164 N MET A 11 -36.069 47.525 -48.170 1.00 40.24 N ATOM 165 CA MET A 11 -35.911 46.559 -47.058 1.00 54.13 C ATOM 166 C MET A 11 -36.098 45.102 -47.573 1.00 52.30 C ATOM 167 O MET A 11 -37.235 44.653 -47.750 1.00 20.31 O ATOM 168 CB MET A 11 -36.931 46.891 -45.927 1.00 52.30 C ATOM 169 CG MET A 11 -36.793 48.312 -45.355 1.00 35.24 C ATOM 170 SD MET A 11 -38.021 48.684 -44.076 1.00 44.44 S ATOM 171 CE MET A 11 -37.596 50.384 -43.654 1.00 71.30 C ATOM 0 H MET A 11 -37.039 47.679 -48.446 1.00 40.24 H new ATOM 0 HA MET A 11 -34.903 46.640 -46.651 1.00 54.13 H new ATOM 0 HB2 MET A 11 -37.942 46.763 -46.315 1.00 52.30 H new ATOM 0 HB3 MET A 11 -36.807 46.171 -45.118 1.00 52.30 H new ATOM 0 HG2 MET A 11 -35.794 48.434 -44.937 1.00 35.24 H new ATOM 0 HG3 MET A 11 -36.890 49.035 -46.165 1.00 35.24 H new ATOM 0 HE1 MET A 11 -38.270 50.746 -42.877 1.00 71.30 H new ATOM 0 HE2 MET A 11 -36.569 50.423 -43.290 1.00 71.30 H new ATOM 0 HE3 MET A 11 -37.691 51.013 -44.539 1.00 71.30 H new ATOM 181 N PRO A 12 -34.975 44.355 -47.862 1.00 21.34 N ATOM 182 CA PRO A 12 -35.024 42.943 -48.336 1.00 73.14 C ATOM 183 C PRO A 12 -35.032 41.918 -47.177 1.00 5.22 C ATOM 184 O PRO A 12 -34.845 42.283 -46.007 1.00 24.33 O ATOM 185 CB PRO A 12 -33.714 42.838 -49.148 1.00 31.13 C ATOM 186 CG PRO A 12 -32.742 43.719 -48.413 1.00 32.43 C ATOM 187 CD PRO A 12 -33.563 44.826 -47.765 1.00 64.14 C ATOM 0 HA PRO A 12 -35.931 42.718 -48.897 1.00 73.14 H new ATOM 0 HB2 PRO A 12 -33.358 41.809 -49.196 1.00 31.13 H new ATOM 0 HB3 PRO A 12 -33.856 43.174 -50.175 1.00 31.13 H new ATOM 0 HG2 PRO A 12 -32.196 43.150 -47.660 1.00 32.43 H new ATOM 0 HG3 PRO A 12 -32.002 44.135 -49.097 1.00 32.43 H new ATOM 0 HD2 PRO A 12 -33.268 44.982 -46.727 1.00 64.14 H new ATOM 0 HD3 PRO A 12 -33.426 45.776 -48.282 1.00 64.14 H new ATOM 195 N ASN A 13 -35.237 40.633 -47.510 1.00 10.42 N ATOM 196 CA ASN A 13 -35.099 39.523 -46.537 1.00 64.21 C ATOM 197 C ASN A 13 -34.116 38.475 -47.083 1.00 21.24 C ATOM 198 O ASN A 13 -33.568 38.630 -48.188 1.00 52.45 O ATOM 199 CB ASN A 13 -36.480 38.884 -46.203 1.00 24.34 C ATOM 200 CG ASN A 13 -37.131 38.146 -47.380 1.00 22.50 C ATOM 201 OD1 ASN A 13 -36.858 36.965 -47.619 1.00 31.45 O ATOM 202 ND2 ASN A 13 -38.014 38.815 -48.104 1.00 65.20 N ATOM 0 H ASN A 13 -35.500 40.331 -48.448 1.00 10.42 H new ATOM 0 HA ASN A 13 -34.701 39.924 -45.605 1.00 64.21 H new ATOM 0 HB2 ASN A 13 -36.354 38.186 -45.375 1.00 24.34 H new ATOM 0 HB3 ASN A 13 -37.157 39.667 -45.860 1.00 24.34 H new ATOM 0 HD21 ASN A 13 -38.488 38.356 -48.882 1.00 65.20 H new ATOM 0 HD22 ASN A 13 -38.220 39.789 -47.884 1.00 65.20 H new ATOM 209 N GLY A 14 -33.903 37.418 -46.290 1.00 64.20 N ATOM 210 CA GLY A 14 -32.992 36.338 -46.626 1.00 54.13 C ATOM 211 C GLY A 14 -33.292 35.108 -45.785 1.00 20.20 C ATOM 212 O GLY A 14 -32.463 34.680 -44.971 1.00 44.10 O ATOM 0 H GLY A 14 -34.367 37.295 -45.390 1.00 64.20 H new ATOM 0 HA2 GLY A 14 -33.083 36.093 -47.684 1.00 54.13 H new ATOM 0 HA3 GLY A 14 -31.963 36.657 -46.460 1.00 54.13 H new ATOM 216 N LYS A 15 -34.513 34.567 -45.966 1.00 63.50 N ATOM 217 CA LYS A 15 -35.011 33.421 -45.191 1.00 33.33 C ATOM 218 C LYS A 15 -34.524 32.102 -45.823 1.00 0.10 C ATOM 219 O LYS A 15 -35.053 31.650 -46.847 1.00 22.24 O ATOM 220 CB LYS A 15 -36.566 33.458 -45.097 1.00 42.20 C ATOM 221 CG LYS A 15 -37.189 32.298 -44.280 1.00 5.34 C ATOM 222 CD LYS A 15 -38.734 32.373 -44.196 1.00 5.42 C ATOM 223 CE LYS A 15 -39.340 31.183 -43.439 1.00 53.54 C ATOM 224 NZ LYS A 15 -40.832 31.246 -43.395 1.00 4.44 N ATOM 0 H LYS A 15 -35.180 34.915 -46.655 1.00 63.50 H new ATOM 0 HA LYS A 15 -34.614 33.482 -44.178 1.00 33.33 H new ATOM 0 HB2 LYS A 15 -36.868 34.404 -44.648 1.00 42.20 H new ATOM 0 HB3 LYS A 15 -36.979 33.438 -46.106 1.00 42.20 H new ATOM 0 HG2 LYS A 15 -36.902 31.349 -44.732 1.00 5.34 H new ATOM 0 HG3 LYS A 15 -36.776 32.309 -43.272 1.00 5.34 H new ATOM 0 HD2 LYS A 15 -39.023 33.300 -43.701 1.00 5.42 H new ATOM 0 HD3 LYS A 15 -39.148 32.407 -45.204 1.00 5.42 H new ATOM 0 HE2 LYS A 15 -39.031 30.254 -43.918 1.00 53.54 H new ATOM 0 HE3 LYS A 15 -38.948 31.163 -42.422 1.00 53.54 H new ATOM 0 HZ1 LYS A 15 -41.199 30.424 -42.875 1.00 4.44 H new ATOM 0 HZ2 LYS A 15 -41.129 32.120 -42.915 1.00 4.44 H new ATOM 0 HZ3 LYS A 15 -41.209 31.238 -44.364 1.00 4.44 H new ATOM 238 N LEU A 16 -33.462 31.537 -45.234 1.00 13.51 N ATOM 239 CA LEU A 16 -32.954 30.189 -45.567 1.00 71.41 C ATOM 240 C LEU A 16 -33.149 29.257 -44.360 1.00 2.00 C ATOM 241 O LEU A 16 -33.347 29.721 -43.226 1.00 52.11 O ATOM 242 CB LEU A 16 -31.450 30.239 -45.980 1.00 44.42 C ATOM 243 CG LEU A 16 -31.107 31.002 -47.302 1.00 14.25 C ATOM 244 CD1 LEU A 16 -29.590 30.950 -47.603 1.00 61.43 C ATOM 245 CD2 LEU A 16 -31.932 30.477 -48.499 1.00 45.33 C ATOM 0 H LEU A 16 -32.922 32.003 -44.505 1.00 13.51 H new ATOM 0 HA LEU A 16 -33.517 29.804 -46.417 1.00 71.41 H new ATOM 0 HB2 LEU A 16 -30.889 30.700 -45.167 1.00 44.42 H new ATOM 0 HB3 LEU A 16 -31.090 29.215 -46.076 1.00 44.42 H new ATOM 0 HG LEU A 16 -31.383 32.046 -47.152 1.00 14.25 H new ATOM 0 HD11 LEU A 16 -29.384 31.489 -48.528 1.00 61.43 H new ATOM 0 HD12 LEU A 16 -29.040 31.412 -46.783 1.00 61.43 H new ATOM 0 HD13 LEU A 16 -29.276 29.912 -47.710 1.00 61.43 H new ATOM 0 HD21 LEU A 16 -31.664 31.033 -49.397 1.00 45.33 H new ATOM 0 HD22 LEU A 16 -31.720 29.419 -48.651 1.00 45.33 H new ATOM 0 HD23 LEU A 16 -32.994 30.609 -48.294 1.00 45.33 H new ATOM 257 N LYS A 17 -33.104 27.938 -44.616 1.00 11.51 N ATOM 258 CA LYS A 17 -33.242 26.902 -43.575 1.00 54.33 C ATOM 259 C LYS A 17 -32.039 25.942 -43.623 1.00 32.12 C ATOM 260 O LYS A 17 -31.117 26.119 -44.437 1.00 22.22 O ATOM 261 CB LYS A 17 -34.584 26.128 -43.756 1.00 54.51 C ATOM 262 CG LYS A 17 -35.865 26.997 -43.657 1.00 60.34 C ATOM 263 CD LYS A 17 -37.191 26.195 -43.796 1.00 31.32 C ATOM 264 CE LYS A 17 -37.488 25.686 -45.229 1.00 23.15 C ATOM 265 NZ LYS A 17 -36.540 24.629 -45.699 1.00 54.01 N ATOM 0 H LYS A 17 -32.971 27.558 -45.553 1.00 11.51 H new ATOM 0 HA LYS A 17 -33.259 27.381 -42.596 1.00 54.33 H new ATOM 0 HB2 LYS A 17 -34.573 25.635 -44.728 1.00 54.51 H new ATOM 0 HB3 LYS A 17 -34.637 25.343 -43.001 1.00 54.51 H new ATOM 0 HG2 LYS A 17 -35.866 27.516 -42.698 1.00 60.34 H new ATOM 0 HG3 LYS A 17 -35.833 27.762 -44.433 1.00 60.34 H new ATOM 0 HD2 LYS A 17 -37.156 25.340 -43.121 1.00 31.32 H new ATOM 0 HD3 LYS A 17 -38.018 26.826 -43.470 1.00 31.32 H new ATOM 0 HE2 LYS A 17 -38.504 25.292 -45.262 1.00 23.15 H new ATOM 0 HE3 LYS A 17 -37.451 26.529 -45.920 1.00 23.15 H new ATOM 0 HZ1 LYS A 17 -37.059 23.920 -46.255 1.00 54.01 H new ATOM 0 HZ2 LYS A 17 -35.803 25.062 -46.291 1.00 54.01 H new ATOM 0 HZ3 LYS A 17 -36.098 24.169 -44.878 1.00 54.01 H new ATOM 279 N CYS A 18 -32.057 24.935 -42.733 1.00 64.51 N ATOM 280 CA CYS A 18 -30.979 23.940 -42.593 1.00 24.31 C ATOM 281 C CYS A 18 -31.577 22.566 -42.240 1.00 74.11 C ATOM 282 O CYS A 18 -32.478 22.485 -41.391 1.00 45.03 O ATOM 283 CB CYS A 18 -29.986 24.398 -41.497 1.00 52.43 C ATOM 284 SG CYS A 18 -29.199 25.993 -41.825 1.00 60.34 S ATOM 0 H CYS A 18 -32.829 24.787 -42.083 1.00 64.51 H new ATOM 0 HA CYS A 18 -30.442 23.852 -43.538 1.00 24.31 H new ATOM 0 HB2 CYS A 18 -30.515 24.456 -40.545 1.00 52.43 H new ATOM 0 HB3 CYS A 18 -29.211 23.640 -41.386 1.00 52.43 H new ATOM 0 HG CYS A 18 -29.551 26.416 -43.003 1.00 60.34 H new ATOM 290 N ASP A 19 -31.085 21.491 -42.885 1.00 31.41 N ATOM 291 CA ASP A 19 -31.572 20.115 -42.648 1.00 42.23 C ATOM 292 C ASP A 19 -30.410 19.157 -42.347 1.00 55.41 C ATOM 293 O ASP A 19 -29.321 19.275 -42.929 1.00 64.13 O ATOM 294 CB ASP A 19 -32.402 19.607 -43.858 1.00 10.04 C ATOM 295 CG ASP A 19 -31.653 19.675 -45.211 1.00 34.13 C ATOM 296 OD1 ASP A 19 -31.737 20.720 -45.900 1.00 15.20 O ATOM 297 OD2 ASP A 19 -30.993 18.688 -45.603 1.00 33.32 O ATOM 0 H ASP A 19 -30.342 21.549 -43.582 1.00 31.41 H new ATOM 0 HA ASP A 19 -32.221 20.139 -41.773 1.00 42.23 H new ATOM 0 HB2 ASP A 19 -32.701 18.576 -43.672 1.00 10.04 H new ATOM 0 HB3 ASP A 19 -33.316 20.196 -43.931 1.00 10.04 H new ATOM 302 N VAL A 20 -30.669 18.209 -41.432 1.00 51.45 N ATOM 303 CA VAL A 20 -29.725 17.152 -41.043 1.00 15.34 C ATOM 304 C VAL A 20 -30.516 15.837 -40.870 1.00 74.40 C ATOM 305 O VAL A 20 -31.311 15.698 -39.931 1.00 61.04 O ATOM 306 CB VAL A 20 -28.910 17.539 -39.736 1.00 45.32 C ATOM 307 CG1 VAL A 20 -29.825 18.045 -38.594 1.00 41.33 C ATOM 308 CG2 VAL A 20 -27.996 16.373 -39.265 1.00 4.15 C ATOM 0 H VAL A 20 -31.557 18.156 -40.933 1.00 51.45 H new ATOM 0 HA VAL A 20 -28.977 17.022 -41.825 1.00 15.34 H new ATOM 0 HB VAL A 20 -28.264 18.374 -40.008 1.00 45.32 H new ATOM 0 HG11 VAL A 20 -29.217 18.296 -37.725 1.00 41.33 H new ATOM 0 HG12 VAL A 20 -30.366 18.931 -38.926 1.00 41.33 H new ATOM 0 HG13 VAL A 20 -30.537 17.265 -38.326 1.00 41.33 H new ATOM 0 HG21 VAL A 20 -27.454 16.675 -38.369 1.00 4.15 H new ATOM 0 HG22 VAL A 20 -28.607 15.499 -39.042 1.00 4.15 H new ATOM 0 HG23 VAL A 20 -27.285 16.127 -40.053 1.00 4.15 H new ATOM 318 N CYS A 21 -30.343 14.897 -41.817 1.00 22.05 N ATOM 319 CA CYS A 21 -31.055 13.611 -41.805 1.00 14.40 C ATOM 320 C CYS A 21 -30.607 12.766 -40.601 1.00 65.43 C ATOM 321 O CYS A 21 -29.404 12.637 -40.345 1.00 72.31 O ATOM 322 CB CYS A 21 -30.803 12.851 -43.126 1.00 31.31 C ATOM 323 SG CYS A 21 -31.303 13.751 -44.615 1.00 70.34 S ATOM 0 H CYS A 21 -29.708 15.009 -42.608 1.00 22.05 H new ATOM 0 HA CYS A 21 -32.124 13.801 -41.714 1.00 14.40 H new ATOM 0 HB2 CYS A 21 -29.741 12.615 -43.198 1.00 31.31 H new ATOM 0 HB3 CYS A 21 -31.339 11.902 -43.093 1.00 31.31 H new ATOM 0 HG CYS A 21 -31.047 13.029 -45.665 1.00 70.34 H new ATOM 329 N GLY A 22 -31.589 12.239 -39.847 1.00 24.53 N ATOM 330 CA GLY A 22 -31.325 11.409 -38.681 1.00 41.41 C ATOM 331 C GLY A 22 -30.911 10.000 -39.067 1.00 3.44 C ATOM 332 O GLY A 22 -31.677 9.047 -38.894 1.00 34.30 O ATOM 0 H GLY A 22 -32.581 12.382 -40.037 1.00 24.53 H new ATOM 0 HA2 GLY A 22 -30.538 11.866 -38.081 1.00 41.41 H new ATOM 0 HA3 GLY A 22 -32.218 11.366 -38.057 1.00 41.41 H new ATOM 336 N MET A 23 -29.690 9.886 -39.606 1.00 25.24 N ATOM 337 CA MET A 23 -29.140 8.630 -40.116 1.00 63.21 C ATOM 338 C MET A 23 -28.725 7.741 -38.938 1.00 2.32 C ATOM 339 O MET A 23 -27.707 7.996 -38.285 1.00 3.01 O ATOM 340 CB MET A 23 -27.940 8.928 -41.066 1.00 4.03 C ATOM 341 CG MET A 23 -28.288 9.849 -42.250 1.00 24.31 C ATOM 342 SD MET A 23 -26.874 10.232 -43.311 1.00 63.04 S ATOM 343 CE MET A 23 -27.622 11.323 -44.529 1.00 51.21 C ATOM 0 H MET A 23 -29.051 10.675 -39.700 1.00 25.24 H new ATOM 0 HA MET A 23 -29.895 8.096 -40.693 1.00 63.21 H new ATOM 0 HB2 MET A 23 -27.138 9.386 -40.487 1.00 4.03 H new ATOM 0 HB3 MET A 23 -27.555 7.985 -41.454 1.00 4.03 H new ATOM 0 HG2 MET A 23 -29.065 9.376 -42.851 1.00 24.31 H new ATOM 0 HG3 MET A 23 -28.705 10.780 -41.865 1.00 24.31 H new ATOM 0 HE1 MET A 23 -27.045 11.286 -45.453 1.00 51.21 H new ATOM 0 HE2 MET A 23 -28.645 11.001 -44.726 1.00 51.21 H new ATOM 0 HE3 MET A 23 -27.630 12.344 -44.147 1.00 51.21 H new ATOM 353 N VAL A 24 -29.578 6.744 -38.635 1.00 72.34 N ATOM 354 CA VAL A 24 -29.306 5.727 -37.606 1.00 55.43 C ATOM 355 C VAL A 24 -28.231 4.766 -38.146 1.00 33.35 C ATOM 356 O VAL A 24 -28.517 3.662 -38.626 1.00 3.02 O ATOM 357 CB VAL A 24 -30.630 4.964 -37.180 1.00 2.24 C ATOM 358 CG1 VAL A 24 -30.376 3.919 -36.061 1.00 43.52 C ATOM 359 CG2 VAL A 24 -31.723 5.975 -36.761 1.00 40.22 C ATOM 0 H VAL A 24 -30.478 6.622 -39.100 1.00 72.34 H new ATOM 0 HA VAL A 24 -28.934 6.207 -36.701 1.00 55.43 H new ATOM 0 HB VAL A 24 -30.981 4.409 -38.050 1.00 2.24 H new ATOM 0 HG11 VAL A 24 -31.313 3.425 -35.805 1.00 43.52 H new ATOM 0 HG12 VAL A 24 -29.658 3.177 -36.412 1.00 43.52 H new ATOM 0 HG13 VAL A 24 -29.978 4.420 -35.179 1.00 43.52 H new ATOM 0 HG21 VAL A 24 -32.625 5.436 -36.472 1.00 40.22 H new ATOM 0 HG22 VAL A 24 -31.367 6.567 -35.918 1.00 40.22 H new ATOM 0 HG23 VAL A 24 -31.948 6.636 -37.598 1.00 40.22 H new ATOM 369 N CYS A 25 -26.986 5.256 -38.141 1.00 3.34 N ATOM 370 CA CYS A 25 -25.843 4.557 -38.725 1.00 73.14 C ATOM 371 C CYS A 25 -25.315 3.527 -37.730 1.00 50.50 C ATOM 372 O CYS A 25 -24.481 3.841 -36.868 1.00 34.50 O ATOM 373 CB CYS A 25 -24.749 5.567 -39.119 1.00 40.32 C ATOM 374 SG CYS A 25 -23.198 4.824 -39.695 1.00 72.43 S ATOM 0 H CYS A 25 -26.745 6.157 -37.727 1.00 3.34 H new ATOM 0 HA CYS A 25 -26.155 4.035 -39.630 1.00 73.14 H new ATOM 0 HB2 CYS A 25 -25.138 6.215 -39.904 1.00 40.32 H new ATOM 0 HB3 CYS A 25 -24.534 6.202 -38.259 1.00 40.32 H new ATOM 0 HG CYS A 25 -22.354 5.764 -40.000 1.00 72.43 H new ATOM 380 N ILE A 26 -25.873 2.314 -37.811 1.00 1.45 N ATOM 381 CA ILE A 26 -25.417 1.164 -37.037 1.00 40.42 C ATOM 382 C ILE A 26 -25.829 -0.121 -37.772 1.00 44.44 C ATOM 383 O ILE A 26 -27.010 -0.340 -38.059 1.00 41.52 O ATOM 384 CB ILE A 26 -25.972 1.168 -35.551 1.00 5.54 C ATOM 385 CG1 ILE A 26 -25.484 -0.101 -34.776 1.00 42.12 C ATOM 386 CG2 ILE A 26 -27.514 1.313 -35.508 1.00 15.14 C ATOM 387 CD1 ILE A 26 -25.936 -0.192 -33.328 1.00 52.31 C ATOM 0 H ILE A 26 -26.662 2.106 -38.423 1.00 1.45 H new ATOM 0 HA ILE A 26 -24.332 1.217 -36.953 1.00 40.42 H new ATOM 0 HB ILE A 26 -25.566 2.045 -35.047 1.00 5.54 H new ATOM 0 HG12 ILE A 26 -25.835 -0.987 -35.305 1.00 42.12 H new ATOM 0 HG13 ILE A 26 -24.395 -0.125 -34.801 1.00 42.12 H new ATOM 0 HG21 ILE A 26 -27.851 1.311 -34.471 1.00 15.14 H new ATOM 0 HG22 ILE A 26 -27.805 2.250 -35.982 1.00 15.14 H new ATOM 0 HG23 ILE A 26 -27.973 0.480 -36.040 1.00 15.14 H new ATOM 0 HD11 ILE A 26 -25.545 -1.106 -32.882 1.00 52.31 H new ATOM 0 HD12 ILE A 26 -25.562 0.670 -32.775 1.00 52.31 H new ATOM 0 HD13 ILE A 26 -27.025 -0.205 -33.287 1.00 52.31 H new ATOM 399 N GLY A 27 -24.831 -0.929 -38.151 1.00 64.45 N ATOM 400 CA GLY A 27 -25.072 -2.290 -38.584 1.00 51.54 C ATOM 401 C GLY A 27 -25.256 -3.180 -37.359 1.00 10.32 C ATOM 402 O GLY A 27 -24.268 -3.471 -36.696 1.00 71.50 O ATOM 0 H GLY A 27 -23.849 -0.652 -38.163 1.00 64.45 H new ATOM 0 HA2 GLY A 27 -25.959 -2.332 -39.215 1.00 51.54 H new ATOM 0 HA3 GLY A 27 -24.236 -2.647 -39.185 1.00 51.54 H new ATOM 406 N PRO A 28 -26.506 -3.638 -37.036 1.00 13.42 N ATOM 407 CA PRO A 28 -26.837 -4.243 -35.716 1.00 60.22 C ATOM 408 C PRO A 28 -25.966 -5.466 -35.350 1.00 32.35 C ATOM 409 O PRO A 28 -25.691 -5.703 -34.168 1.00 65.22 O ATOM 410 CB PRO A 28 -28.331 -4.634 -35.863 1.00 12.01 C ATOM 411 CG PRO A 28 -28.577 -4.691 -37.344 1.00 34.02 C ATOM 412 CD PRO A 28 -27.684 -3.632 -37.941 1.00 73.21 C ATOM 0 HA PRO A 28 -26.643 -3.545 -34.901 1.00 60.22 H new ATOM 0 HB2 PRO A 28 -28.535 -5.596 -35.392 1.00 12.01 H new ATOM 0 HB3 PRO A 28 -28.979 -3.901 -35.384 1.00 12.01 H new ATOM 0 HG2 PRO A 28 -28.339 -5.677 -37.744 1.00 34.02 H new ATOM 0 HG3 PRO A 28 -29.624 -4.498 -37.576 1.00 34.02 H new ATOM 0 HD2 PRO A 28 -27.405 -3.871 -38.967 1.00 73.21 H new ATOM 0 HD3 PRO A 28 -28.172 -2.658 -37.962 1.00 73.21 H new ATOM 420 N ASN A 29 -25.502 -6.201 -36.382 1.00 73.35 N ATOM 421 CA ASN A 29 -24.780 -7.478 -36.203 1.00 12.22 C ATOM 422 C ASN A 29 -23.361 -7.265 -35.632 1.00 73.24 C ATOM 423 O ASN A 29 -22.763 -8.207 -35.128 1.00 73.03 O ATOM 424 CB ASN A 29 -24.721 -8.273 -37.541 1.00 21.42 C ATOM 425 CG ASN A 29 -24.389 -9.772 -37.365 1.00 61.23 C ATOM 426 OD1 ASN A 29 -24.792 -10.404 -36.390 1.00 5.10 O ATOM 427 ND2 ASN A 29 -23.669 -10.353 -38.307 1.00 31.51 N ATOM 0 H ASN A 29 -25.616 -5.928 -37.358 1.00 73.35 H new ATOM 0 HA ASN A 29 -25.339 -8.065 -35.474 1.00 12.22 H new ATOM 0 HB2 ASN A 29 -25.681 -8.181 -38.050 1.00 21.42 H new ATOM 0 HB3 ASN A 29 -23.972 -7.819 -38.189 1.00 21.42 H new ATOM 0 HD21 ASN A 29 -23.438 -11.344 -38.234 1.00 31.51 H new ATOM 0 HD22 ASN A 29 -23.344 -9.811 -39.108 1.00 31.51 H new ATOM 434 N VAL A 30 -22.838 -6.017 -35.685 1.00 44.22 N ATOM 435 CA VAL A 30 -21.501 -5.689 -35.137 1.00 1.13 C ATOM 436 C VAL A 30 -21.479 -5.876 -33.595 1.00 72.23 C ATOM 437 O VAL A 30 -20.451 -6.240 -33.021 1.00 41.15 O ATOM 438 CB VAL A 30 -21.037 -4.230 -35.533 1.00 45.03 C ATOM 439 CG1 VAL A 30 -21.861 -3.129 -34.835 1.00 52.44 C ATOM 440 CG2 VAL A 30 -19.523 -4.034 -35.284 1.00 61.54 C ATOM 0 H VAL A 30 -23.322 -5.221 -36.102 1.00 44.22 H new ATOM 0 HA VAL A 30 -20.789 -6.384 -35.583 1.00 1.13 H new ATOM 0 HB VAL A 30 -21.224 -4.129 -36.602 1.00 45.03 H new ATOM 0 HG11 VAL A 30 -21.497 -2.150 -35.146 1.00 52.44 H new ATOM 0 HG12 VAL A 30 -22.911 -3.230 -35.111 1.00 52.44 H new ATOM 0 HG13 VAL A 30 -21.759 -3.228 -33.754 1.00 52.44 H new ATOM 0 HG21 VAL A 30 -19.236 -3.021 -35.566 1.00 61.54 H new ATOM 0 HG22 VAL A 30 -19.304 -4.192 -34.228 1.00 61.54 H new ATOM 0 HG23 VAL A 30 -18.960 -4.751 -35.882 1.00 61.54 H new ATOM 450 N LEU A 31 -22.647 -5.653 -32.954 1.00 53.41 N ATOM 451 CA LEU A 31 -22.848 -5.876 -31.505 1.00 11.40 C ATOM 452 C LEU A 31 -22.947 -7.391 -31.204 1.00 2.13 C ATOM 453 O LEU A 31 -22.451 -7.873 -30.180 1.00 42.24 O ATOM 454 CB LEU A 31 -24.122 -5.115 -31.034 1.00 62.22 C ATOM 455 CG LEU A 31 -24.520 -5.268 -29.529 1.00 65.43 C ATOM 456 CD1 LEU A 31 -23.378 -4.837 -28.592 1.00 75.43 C ATOM 457 CD2 LEU A 31 -25.819 -4.498 -29.211 1.00 11.11 C ATOM 0 H LEU A 31 -23.482 -5.311 -33.430 1.00 53.41 H new ATOM 0 HA LEU A 31 -21.993 -5.487 -30.952 1.00 11.40 H new ATOM 0 HB2 LEU A 31 -23.980 -4.054 -31.242 1.00 62.22 H new ATOM 0 HB3 LEU A 31 -24.962 -5.449 -31.643 1.00 62.22 H new ATOM 0 HG LEU A 31 -24.707 -6.327 -29.351 1.00 65.43 H new ATOM 0 HD11 LEU A 31 -23.693 -4.958 -27.555 1.00 75.43 H new ATOM 0 HD12 LEU A 31 -22.501 -5.456 -28.779 1.00 75.43 H new ATOM 0 HD13 LEU A 31 -23.131 -3.792 -28.777 1.00 75.43 H new ATOM 0 HD21 LEU A 31 -26.068 -4.624 -28.157 1.00 11.11 H new ATOM 0 HD22 LEU A 31 -25.676 -3.439 -29.425 1.00 11.11 H new ATOM 0 HD23 LEU A 31 -26.632 -4.886 -29.825 1.00 11.11 H new ATOM 469 N MET A 32 -23.568 -8.126 -32.135 1.00 64.24 N ATOM 470 CA MET A 32 -23.709 -9.597 -32.068 1.00 15.21 C ATOM 471 C MET A 32 -22.327 -10.294 -32.200 1.00 41.21 C ATOM 472 O MET A 32 -22.058 -11.304 -31.540 1.00 50.40 O ATOM 473 CB MET A 32 -24.685 -10.026 -33.196 1.00 63.32 C ATOM 474 CG MET A 32 -24.964 -11.527 -33.325 1.00 32.51 C ATOM 475 SD MET A 32 -25.740 -12.239 -31.858 1.00 3.34 S ATOM 476 CE MET A 32 -26.091 -13.906 -32.423 1.00 52.03 C ATOM 0 H MET A 32 -23.993 -7.717 -32.967 1.00 64.24 H new ATOM 0 HA MET A 32 -24.111 -9.901 -31.101 1.00 15.21 H new ATOM 0 HB2 MET A 32 -25.635 -9.515 -33.038 1.00 63.32 H new ATOM 0 HB3 MET A 32 -24.286 -9.670 -34.146 1.00 63.32 H new ATOM 0 HG2 MET A 32 -25.609 -11.697 -34.187 1.00 32.51 H new ATOM 0 HG3 MET A 32 -24.027 -12.048 -33.521 1.00 32.51 H new ATOM 0 HE1 MET A 32 -26.572 -14.468 -31.622 1.00 52.03 H new ATOM 0 HE2 MET A 32 -26.754 -13.865 -33.287 1.00 52.03 H new ATOM 0 HE3 MET A 32 -25.160 -14.399 -32.703 1.00 52.03 H new ATOM 486 N VAL A 33 -21.458 -9.721 -33.056 1.00 51.44 N ATOM 487 CA VAL A 33 -20.059 -10.175 -33.242 1.00 20.03 C ATOM 488 C VAL A 33 -19.172 -9.687 -32.062 1.00 43.22 C ATOM 489 O VAL A 33 -18.176 -10.334 -31.706 1.00 50.22 O ATOM 490 CB VAL A 33 -19.477 -9.685 -34.627 1.00 53.12 C ATOM 491 CG1 VAL A 33 -18.033 -10.177 -34.850 1.00 5.41 C ATOM 492 CG2 VAL A 33 -20.378 -10.122 -35.807 1.00 24.02 C ATOM 0 H VAL A 33 -21.705 -8.925 -33.643 1.00 51.44 H new ATOM 0 HA VAL A 33 -20.053 -11.265 -33.251 1.00 20.03 H new ATOM 0 HB VAL A 33 -19.460 -8.596 -34.590 1.00 53.12 H new ATOM 0 HG11 VAL A 33 -17.671 -9.818 -35.813 1.00 5.41 H new ATOM 0 HG12 VAL A 33 -17.392 -9.795 -34.056 1.00 5.41 H new ATOM 0 HG13 VAL A 33 -18.014 -11.267 -34.838 1.00 5.41 H new ATOM 0 HG21 VAL A 33 -19.948 -9.768 -36.744 1.00 24.02 H new ATOM 0 HG22 VAL A 33 -20.448 -11.210 -35.828 1.00 24.02 H new ATOM 0 HG23 VAL A 33 -21.374 -9.697 -35.682 1.00 24.02 H new ATOM 502 N HIS A 34 -19.550 -8.527 -31.473 1.00 23.44 N ATOM 503 CA HIS A 34 -18.872 -7.942 -30.279 1.00 51.02 C ATOM 504 C HIS A 34 -18.919 -8.911 -29.074 1.00 51.33 C ATOM 505 O HIS A 34 -18.061 -8.864 -28.196 1.00 41.30 O ATOM 506 CB HIS A 34 -19.524 -6.577 -29.908 1.00 14.13 C ATOM 507 CG HIS A 34 -18.845 -5.787 -28.815 1.00 34.02 C ATOM 508 ND1 HIS A 34 -19.076 -6.002 -27.471 1.00 3.22 N ATOM 509 CD2 HIS A 34 -17.963 -4.754 -28.871 1.00 61.44 C ATOM 510 CE1 HIS A 34 -18.379 -5.139 -26.762 1.00 21.44 C ATOM 511 NE2 HIS A 34 -17.697 -4.377 -27.585 1.00 62.01 N ATOM 0 H HIS A 34 -20.333 -7.966 -31.808 1.00 23.44 H new ATOM 0 HA HIS A 34 -17.824 -7.777 -30.531 1.00 51.02 H new ATOM 0 HB2 HIS A 34 -19.559 -5.959 -30.805 1.00 14.13 H new ATOM 0 HB3 HIS A 34 -20.555 -6.761 -29.607 1.00 14.13 H new ATOM 0 HD2 HIS A 34 -17.549 -4.313 -29.766 1.00 61.44 H new ATOM 0 HE1 HIS A 34 -18.370 -5.070 -25.684 1.00 21.44 H new ATOM 0 HE2 HIS A 34 -17.068 -3.623 -27.308 1.00 62.01 H new ATOM 520 N LYS A 35 -19.953 -9.772 -29.057 1.00 25.35 N ATOM 521 CA LYS A 35 -20.126 -10.846 -28.051 1.00 63.43 C ATOM 522 C LYS A 35 -18.972 -11.884 -28.134 1.00 65.33 C ATOM 523 O LYS A 35 -18.573 -12.476 -27.127 1.00 61.20 O ATOM 524 CB LYS A 35 -21.499 -11.535 -28.300 1.00 63.22 C ATOM 525 CG LYS A 35 -21.938 -12.549 -27.222 1.00 34.24 C ATOM 526 CD LYS A 35 -23.230 -13.297 -27.626 1.00 5.01 C ATOM 527 CE LYS A 35 -23.764 -14.223 -26.523 1.00 13.24 C ATOM 528 NZ LYS A 35 -24.249 -13.458 -25.334 1.00 52.11 N ATOM 0 H LYS A 35 -20.703 -9.744 -29.748 1.00 25.35 H new ATOM 0 HA LYS A 35 -20.100 -10.414 -27.051 1.00 63.43 H new ATOM 0 HB2 LYS A 35 -22.264 -10.763 -28.381 1.00 63.22 H new ATOM 0 HB3 LYS A 35 -21.460 -12.047 -29.261 1.00 63.22 H new ATOM 0 HG2 LYS A 35 -21.138 -13.270 -27.055 1.00 34.24 H new ATOM 0 HG3 LYS A 35 -22.100 -12.028 -26.278 1.00 34.24 H new ATOM 0 HD2 LYS A 35 -23.999 -12.568 -27.883 1.00 5.01 H new ATOM 0 HD3 LYS A 35 -23.036 -13.885 -28.523 1.00 5.01 H new ATOM 0 HE2 LYS A 35 -24.578 -14.828 -26.921 1.00 13.24 H new ATOM 0 HE3 LYS A 35 -22.977 -14.911 -26.215 1.00 13.24 H new ATOM 0 HZ1 LYS A 35 -24.693 -14.112 -24.658 1.00 52.11 H new ATOM 0 HZ2 LYS A 35 -23.446 -12.980 -24.877 1.00 52.11 H new ATOM 0 HZ3 LYS A 35 -24.946 -12.749 -25.638 1.00 52.11 H new ATOM 542 N ARG A 36 -18.464 -12.094 -29.362 1.00 74.30 N ATOM 543 CA ARG A 36 -17.405 -13.085 -29.670 1.00 30.20 C ATOM 544 C ARG A 36 -15.977 -12.562 -29.391 1.00 42.52 C ATOM 545 O ARG A 36 -15.011 -13.329 -29.537 1.00 74.23 O ATOM 546 CB ARG A 36 -17.530 -13.527 -31.155 1.00 4.32 C ATOM 547 CG ARG A 36 -18.931 -14.034 -31.556 1.00 53.33 C ATOM 548 CD ARG A 36 -19.418 -15.218 -30.696 1.00 42.51 C ATOM 549 NE ARG A 36 -20.727 -15.713 -31.149 1.00 15.13 N ATOM 550 CZ ARG A 36 -21.038 -17.000 -31.382 1.00 12.32 C ATOM 551 NH1 ARG A 36 -20.140 -17.973 -31.196 1.00 22.24 N ATOM 552 NH2 ARG A 36 -22.251 -17.301 -31.822 1.00 73.11 N ATOM 0 H ARG A 36 -18.779 -11.576 -30.182 1.00 74.30 H new ATOM 0 HA ARG A 36 -17.557 -13.934 -29.003 1.00 30.20 H new ATOM 0 HB2 ARG A 36 -17.265 -12.685 -31.795 1.00 4.32 H new ATOM 0 HB3 ARG A 36 -16.803 -14.316 -31.349 1.00 4.32 H new ATOM 0 HG2 ARG A 36 -19.645 -13.214 -31.472 1.00 53.33 H new ATOM 0 HG3 ARG A 36 -18.915 -14.336 -32.603 1.00 53.33 H new ATOM 0 HD2 ARG A 36 -18.687 -16.026 -30.741 1.00 42.51 H new ATOM 0 HD3 ARG A 36 -19.487 -14.907 -29.653 1.00 42.51 H new ATOM 0 HE ARG A 36 -21.461 -15.021 -31.299 1.00 15.13 H new ATOM 0 HH11 ARG A 36 -19.200 -17.745 -30.872 1.00 22.24 H new ATOM 0 HH12 ARG A 36 -20.395 -18.944 -31.378 1.00 22.24 H new ATOM 0 HH21 ARG A 36 -22.935 -16.561 -31.980 1.00 73.11 H new ATOM 0 HH22 ARG A 36 -22.501 -18.273 -32.003 1.00 73.11 H new ATOM 566 N SER A 37 -15.861 -11.262 -29.013 1.00 63.11 N ATOM 567 CA SER A 37 -14.565 -10.544 -28.835 1.00 34.43 C ATOM 568 C SER A 37 -13.551 -11.331 -27.981 1.00 71.34 C ATOM 569 O SER A 37 -12.356 -11.390 -28.301 1.00 21.34 O ATOM 570 CB SER A 37 -14.826 -9.175 -28.176 1.00 43.24 C ATOM 571 OG SER A 37 -15.471 -9.332 -26.919 1.00 71.03 O ATOM 0 H SER A 37 -16.672 -10.674 -28.820 1.00 63.11 H new ATOM 0 HA SER A 37 -14.128 -10.425 -29.826 1.00 34.43 H new ATOM 0 HB2 SER A 37 -13.883 -8.646 -28.042 1.00 43.24 H new ATOM 0 HB3 SER A 37 -15.444 -8.563 -28.833 1.00 43.24 H new ATOM 0 HG SER A 37 -14.809 -9.577 -26.240 1.00 71.03 H new ATOM 577 N HIS A 38 -14.051 -11.921 -26.891 1.00 24.23 N ATOM 578 CA HIS A 38 -13.251 -12.774 -26.021 1.00 15.21 C ATOM 579 C HIS A 38 -13.427 -14.238 -26.441 1.00 74.43 C ATOM 580 O HIS A 38 -12.763 -14.674 -27.391 1.00 24.24 O ATOM 581 CB HIS A 38 -13.618 -12.549 -24.537 1.00 71.20 C ATOM 582 CG HIS A 38 -13.419 -11.135 -24.070 1.00 4.24 C ATOM 583 ND1 HIS A 38 -14.295 -10.122 -24.377 1.00 35.41 N ATOM 584 CD2 HIS A 38 -12.433 -10.565 -23.340 1.00 52.45 C ATOM 585 CE1 HIS A 38 -13.861 -8.999 -23.860 1.00 73.33 C ATOM 586 NE2 HIS A 38 -12.734 -9.238 -23.224 1.00 24.45 N ATOM 0 H HIS A 38 -15.021 -11.818 -26.591 1.00 24.23 H new ATOM 0 HA HIS A 38 -12.198 -12.512 -26.126 1.00 15.21 H new ATOM 0 HB2 HIS A 38 -14.660 -12.829 -24.384 1.00 71.20 H new ATOM 0 HB3 HIS A 38 -13.015 -13.214 -23.919 1.00 71.20 H new ATOM 0 HD2 HIS A 38 -11.570 -11.065 -22.927 1.00 52.45 H new ATOM 0 HE1 HIS A 38 -14.347 -8.038 -23.942 1.00 73.33 H new ATOM 0 HE2 HIS A 38 -12.176 -8.545 -22.725 1.00 24.45 H new ATOM 595 N THR A 39 -14.379 -14.964 -25.788 1.00 33.03 N ATOM 596 CA THR A 39 -14.521 -16.432 -25.875 1.00 60.11 C ATOM 597 C THR A 39 -13.133 -17.131 -25.833 1.00 73.12 C ATOM 598 O THR A 39 -12.877 -18.126 -26.523 1.00 41.15 O ATOM 599 CB THR A 39 -15.389 -16.859 -27.120 1.00 54.21 C ATOM 600 OG1 THR A 39 -14.824 -16.362 -28.347 1.00 31.35 O ATOM 601 CG2 THR A 39 -16.843 -16.357 -26.987 1.00 50.42 C ATOM 0 H THR A 39 -15.075 -14.532 -25.180 1.00 33.03 H new ATOM 0 HA THR A 39 -15.068 -16.773 -24.996 1.00 60.11 H new ATOM 0 HB THR A 39 -15.391 -17.949 -27.147 1.00 54.21 H new ATOM 0 HG1 THR A 39 -14.000 -15.869 -28.152 1.00 31.35 H new ATOM 0 HG21 THR A 39 -17.416 -16.667 -27.861 1.00 50.42 H new ATOM 0 HG22 THR A 39 -17.293 -16.780 -26.089 1.00 50.42 H new ATOM 0 HG23 THR A 39 -16.847 -15.269 -26.918 1.00 50.42 H new ATOM 609 N GLY A 40 -12.266 -16.587 -24.948 1.00 12.44 N ATOM 610 CA GLY A 40 -10.850 -16.918 -24.895 1.00 41.01 C ATOM 611 C GLY A 40 -10.574 -18.283 -24.296 1.00 45.25 C ATOM 612 O GLY A 40 -10.499 -18.437 -23.072 1.00 23.32 O ATOM 0 H GLY A 40 -12.548 -15.900 -24.249 1.00 12.44 H new ATOM 0 HA2 GLY A 40 -10.438 -16.882 -25.903 1.00 41.01 H new ATOM 0 HA3 GLY A 40 -10.329 -16.160 -24.310 1.00 41.01 H new ATOM 616 N GLU A 41 -10.454 -19.280 -25.180 1.00 25.01 N ATOM 617 CA GLU A 41 -10.008 -20.636 -24.826 1.00 14.20 C ATOM 618 C GLU A 41 -8.522 -20.613 -24.424 1.00 55.21 C ATOM 619 O GLU A 41 -8.075 -21.407 -23.594 1.00 31.44 O ATOM 620 CB GLU A 41 -10.262 -21.578 -26.025 1.00 43.34 C ATOM 621 CG GLU A 41 -11.733 -21.583 -26.506 1.00 71.15 C ATOM 622 CD GLU A 41 -11.914 -22.273 -27.861 1.00 23.32 C ATOM 623 OE1 GLU A 41 -11.686 -21.612 -28.903 1.00 0.34 O ATOM 624 OE2 GLU A 41 -12.277 -23.468 -27.899 1.00 5.22 O ATOM 0 H GLU A 41 -10.665 -19.169 -26.172 1.00 25.01 H new ATOM 0 HA GLU A 41 -10.572 -21.007 -23.970 1.00 14.20 H new ATOM 0 HB2 GLU A 41 -9.618 -21.281 -26.853 1.00 43.34 H new ATOM 0 HB3 GLU A 41 -9.976 -22.592 -25.747 1.00 43.34 H new ATOM 0 HG2 GLU A 41 -12.351 -22.086 -25.762 1.00 71.15 H new ATOM 0 HG3 GLU A 41 -12.091 -20.556 -26.576 1.00 71.15 H new ATOM 631 N ARG A 42 -7.770 -19.693 -25.056 1.00 5.00 N ATOM 632 CA ARG A 42 -6.407 -19.320 -24.646 1.00 3.12 C ATOM 633 C ARG A 42 -6.490 -18.038 -23.790 1.00 61.44 C ATOM 634 O ARG A 42 -7.301 -17.150 -24.093 1.00 45.41 O ATOM 635 CB ARG A 42 -5.485 -19.083 -25.887 1.00 2.14 C ATOM 636 CG ARG A 42 -4.927 -20.359 -26.560 1.00 72.41 C ATOM 637 CD ARG A 42 -6.012 -21.287 -27.125 1.00 2.21 C ATOM 638 NE ARG A 42 -6.868 -20.598 -28.110 1.00 52.13 N ATOM 639 CZ ARG A 42 -6.709 -20.647 -29.443 1.00 72.45 C ATOM 640 NH1 ARG A 42 -5.722 -21.355 -29.997 1.00 22.11 N ATOM 641 NH2 ARG A 42 -7.560 -19.991 -30.225 1.00 34.11 N ATOM 0 H ARG A 42 -8.098 -19.182 -25.876 1.00 5.00 H new ATOM 0 HA ARG A 42 -5.970 -20.134 -24.068 1.00 3.12 H new ATOM 0 HB2 ARG A 42 -6.046 -18.518 -26.631 1.00 2.14 H new ATOM 0 HB3 ARG A 42 -4.645 -18.460 -25.579 1.00 2.14 H new ATOM 0 HG2 ARG A 42 -4.254 -20.068 -27.367 1.00 72.41 H new ATOM 0 HG3 ARG A 42 -4.332 -20.912 -25.833 1.00 72.41 H new ATOM 0 HD2 ARG A 42 -5.542 -22.151 -27.594 1.00 2.21 H new ATOM 0 HD3 ARG A 42 -6.629 -21.664 -26.309 1.00 2.21 H new ATOM 0 HE ARG A 42 -7.642 -20.040 -27.750 1.00 52.13 H new ATOM 0 HH11 ARG A 42 -5.071 -21.872 -29.406 1.00 22.11 H new ATOM 0 HH12 ARG A 42 -5.619 -21.379 -31.011 1.00 22.11 H new ATOM 0 HH21 ARG A 42 -8.325 -19.457 -29.812 1.00 34.11 H new ATOM 0 HH22 ARG A 42 -7.449 -20.021 -31.238 1.00 34.11 H new ATOM 655 N PRO A 43 -5.669 -17.918 -22.700 1.00 24.20 N ATOM 656 CA PRO A 43 -5.656 -16.705 -21.848 1.00 63.24 C ATOM 657 C PRO A 43 -5.134 -15.457 -22.596 1.00 45.14 C ATOM 658 O PRO A 43 -4.363 -15.561 -23.556 1.00 73.14 O ATOM 659 CB PRO A 43 -4.716 -17.101 -20.674 1.00 52.42 C ATOM 660 CG PRO A 43 -3.837 -18.177 -21.232 1.00 3.11 C ATOM 661 CD PRO A 43 -4.713 -18.946 -22.198 1.00 21.40 C ATOM 0 HA PRO A 43 -6.657 -16.420 -21.522 1.00 63.24 H new ATOM 0 HB2 PRO A 43 -4.129 -16.248 -20.333 1.00 52.42 H new ATOM 0 HB3 PRO A 43 -5.285 -17.460 -19.816 1.00 52.42 H new ATOM 0 HG2 PRO A 43 -2.970 -17.753 -21.739 1.00 3.11 H new ATOM 0 HG3 PRO A 43 -3.459 -18.826 -20.442 1.00 3.11 H new ATOM 0 HD2 PRO A 43 -4.129 -19.381 -23.009 1.00 21.40 H new ATOM 0 HD3 PRO A 43 -5.231 -19.767 -21.703 1.00 21.40 H new ATOM 669 N PHE A 44 -5.568 -14.274 -22.130 1.00 35.31 N ATOM 670 CA PHE A 44 -5.080 -12.971 -22.636 1.00 54.02 C ATOM 671 C PHE A 44 -3.770 -12.561 -21.929 1.00 31.22 C ATOM 672 O PHE A 44 -3.292 -11.425 -22.062 1.00 62.31 O ATOM 673 CB PHE A 44 -6.180 -11.898 -22.466 1.00 21.04 C ATOM 674 CG PHE A 44 -7.477 -12.226 -23.195 1.00 44.23 C ATOM 675 CD1 PHE A 44 -7.618 -11.956 -24.556 1.00 42.35 C ATOM 676 CD2 PHE A 44 -8.545 -12.841 -22.533 1.00 42.05 C ATOM 677 CE1 PHE A 44 -8.782 -12.274 -25.224 1.00 62.42 C ATOM 678 CE2 PHE A 44 -9.706 -13.160 -23.207 1.00 51.32 C ATOM 679 CZ PHE A 44 -9.821 -12.882 -24.555 1.00 14.32 C ATOM 0 H PHE A 44 -6.267 -14.189 -21.392 1.00 35.31 H new ATOM 0 HA PHE A 44 -4.855 -13.064 -23.698 1.00 54.02 H new ATOM 0 HB2 PHE A 44 -6.392 -11.774 -21.404 1.00 21.04 H new ATOM 0 HB3 PHE A 44 -5.802 -10.942 -22.829 1.00 21.04 H new ATOM 0 HD1 PHE A 44 -6.805 -11.492 -25.094 1.00 42.35 H new ATOM 0 HD2 PHE A 44 -8.460 -13.069 -21.481 1.00 42.05 H new ATOM 0 HE1 PHE A 44 -8.879 -12.045 -26.275 1.00 62.42 H new ATOM 0 HE2 PHE A 44 -10.525 -13.627 -22.680 1.00 51.32 H new ATOM 0 HZ PHE A 44 -10.726 -13.141 -25.085 1.00 14.32 H new ATOM 689 N HIS A 45 -3.192 -13.514 -21.186 1.00 33.21 N ATOM 690 CA HIS A 45 -1.868 -13.399 -20.589 1.00 53.42 C ATOM 691 C HIS A 45 -0.818 -13.941 -21.574 1.00 53.12 C ATOM 692 O HIS A 45 -0.873 -15.116 -21.964 1.00 24.52 O ATOM 693 CB HIS A 45 -1.819 -14.186 -19.258 1.00 4.33 C ATOM 694 CG HIS A 45 -0.468 -14.209 -18.591 1.00 62.54 C ATOM 695 ND1 HIS A 45 0.525 -15.092 -18.955 1.00 4.44 N ATOM 696 CD2 HIS A 45 0.059 -13.453 -17.597 1.00 0.40 C ATOM 697 CE1 HIS A 45 1.586 -14.886 -18.214 1.00 75.14 C ATOM 698 NE2 HIS A 45 1.333 -13.898 -17.388 1.00 51.45 N ATOM 0 H HIS A 45 -3.648 -14.404 -20.983 1.00 33.21 H new ATOM 0 HA HIS A 45 -1.651 -12.352 -20.378 1.00 53.42 H new ATOM 0 HB2 HIS A 45 -2.543 -13.752 -18.568 1.00 4.33 H new ATOM 0 HB3 HIS A 45 -2.134 -15.212 -19.446 1.00 4.33 H new ATOM 0 HD2 HIS A 45 -0.435 -12.650 -17.070 1.00 0.40 H new ATOM 0 HE1 HIS A 45 2.513 -15.437 -18.273 1.00 75.14 H new ATOM 0 HE2 HIS A 45 1.985 -13.522 -16.699 1.00 51.45 H new ATOM 707 N CYS A 46 0.118 -13.069 -21.973 1.00 54.03 N ATOM 708 CA CYS A 46 1.272 -13.441 -22.796 1.00 13.31 C ATOM 709 C CYS A 46 2.276 -14.230 -21.932 1.00 74.03 C ATOM 710 O CYS A 46 2.948 -13.658 -21.056 1.00 44.34 O ATOM 711 CB CYS A 46 1.926 -12.182 -23.401 1.00 14.11 C ATOM 712 SG CYS A 46 3.364 -12.518 -24.460 1.00 4.32 S ATOM 0 H CYS A 46 0.093 -12.079 -21.731 1.00 54.03 H new ATOM 0 HA CYS A 46 0.946 -14.073 -23.622 1.00 13.31 H new ATOM 0 HB2 CYS A 46 1.179 -11.644 -23.984 1.00 14.11 H new ATOM 0 HB3 CYS A 46 2.234 -11.522 -22.590 1.00 14.11 H new ATOM 0 HG CYS A 46 4.113 -11.457 -24.524 1.00 4.32 H new ATOM 717 N ASN A 47 2.314 -15.555 -22.159 1.00 60.21 N ATOM 718 CA ASN A 47 3.110 -16.508 -21.360 1.00 2.53 C ATOM 719 C ASN A 47 4.628 -16.326 -21.616 1.00 61.13 C ATOM 720 O ASN A 47 5.032 -15.923 -22.718 1.00 62.32 O ATOM 721 CB ASN A 47 2.661 -17.959 -21.689 1.00 63.35 C ATOM 722 CG ASN A 47 3.295 -19.026 -20.780 1.00 34.21 C ATOM 723 OD1 ASN A 47 4.374 -19.555 -21.062 1.00 22.43 O ATOM 724 ND2 ASN A 47 2.622 -19.351 -19.682 1.00 11.23 N ATOM 0 H ASN A 47 1.788 -16.001 -22.910 1.00 60.21 H new ATOM 0 HA ASN A 47 2.936 -16.311 -20.302 1.00 2.53 H new ATOM 0 HB2 ASN A 47 1.576 -18.022 -21.605 1.00 63.35 H new ATOM 0 HB3 ASN A 47 2.914 -18.181 -22.726 1.00 63.35 H new ATOM 0 HD21 ASN A 47 2.995 -20.055 -19.045 1.00 11.23 H new ATOM 0 HD22 ASN A 47 1.733 -18.896 -19.476 1.00 11.23 H new ATOM 731 N GLN A 48 5.443 -16.592 -20.562 1.00 61.25 N ATOM 732 CA GLN A 48 6.928 -16.574 -20.611 1.00 5.12 C ATOM 733 C GLN A 48 7.478 -15.168 -21.007 1.00 74.44 C ATOM 734 O GLN A 48 8.633 -15.017 -21.428 1.00 3.13 O ATOM 735 CB GLN A 48 7.446 -17.706 -21.562 1.00 50.43 C ATOM 736 CG GLN A 48 8.950 -18.035 -21.427 1.00 13.33 C ATOM 737 CD GLN A 48 9.415 -19.107 -22.410 1.00 72.15 C ATOM 738 OE1 GLN A 48 9.821 -18.802 -23.535 1.00 52.04 O ATOM 739 NE2 GLN A 48 9.371 -20.366 -21.993 1.00 73.33 N ATOM 0 H GLN A 48 5.080 -16.829 -19.639 1.00 61.25 H new ATOM 0 HA GLN A 48 7.310 -16.775 -19.610 1.00 5.12 H new ATOM 0 HB2 GLN A 48 6.872 -18.613 -21.369 1.00 50.43 H new ATOM 0 HB3 GLN A 48 7.244 -17.414 -22.593 1.00 50.43 H new ATOM 0 HG2 GLN A 48 9.531 -17.127 -21.586 1.00 13.33 H new ATOM 0 HG3 GLN A 48 9.154 -18.369 -20.410 1.00 13.33 H new ATOM 0 HE21 GLN A 48 9.029 -20.581 -21.056 1.00 73.33 H new ATOM 0 HE22 GLN A 48 9.679 -21.118 -22.609 1.00 73.33 H new ATOM 748 N CYS A 49 6.636 -14.136 -20.825 1.00 1.15 N ATOM 749 CA CYS A 49 6.950 -12.743 -21.190 1.00 3.21 C ATOM 750 C CYS A 49 6.798 -11.821 -19.979 1.00 12.12 C ATOM 751 O CYS A 49 7.718 -11.059 -19.654 1.00 15.42 O ATOM 752 CB CYS A 49 6.010 -12.288 -22.322 1.00 61.31 C ATOM 753 SG CYS A 49 6.248 -10.582 -22.913 1.00 72.13 S ATOM 0 H CYS A 49 5.708 -14.247 -20.416 1.00 1.15 H new ATOM 0 HA CYS A 49 7.984 -12.690 -21.531 1.00 3.21 H new ATOM 0 HB2 CYS A 49 6.135 -12.966 -23.167 1.00 61.31 H new ATOM 0 HB3 CYS A 49 4.981 -12.393 -21.978 1.00 61.31 H new ATOM 0 HG CYS A 49 5.124 -10.123 -23.379 1.00 72.13 H new ATOM 758 N GLY A 50 5.639 -11.921 -19.311 1.00 60.04 N ATOM 759 CA GLY A 50 5.300 -11.052 -18.177 1.00 32.32 C ATOM 760 C GLY A 50 4.361 -9.936 -18.605 1.00 21.33 C ATOM 761 O GLY A 50 4.617 -8.754 -18.355 1.00 22.32 O ATOM 0 H GLY A 50 4.915 -12.602 -19.541 1.00 60.04 H new ATOM 0 HA2 GLY A 50 4.833 -11.643 -17.389 1.00 32.32 H new ATOM 0 HA3 GLY A 50 6.211 -10.625 -17.757 1.00 32.32 H new ATOM 765 N ALA A 51 3.277 -10.324 -19.288 1.00 75.11 N ATOM 766 CA ALA A 51 2.237 -9.401 -19.760 1.00 3.44 C ATOM 767 C ALA A 51 0.864 -10.060 -19.622 1.00 62.13 C ATOM 768 O ALA A 51 0.730 -11.271 -19.834 1.00 11.41 O ATOM 769 CB ALA A 51 2.502 -8.988 -21.214 1.00 11.15 C ATOM 0 H ALA A 51 3.095 -11.298 -19.531 1.00 75.11 H new ATOM 0 HA ALA A 51 2.256 -8.499 -19.148 1.00 3.44 H new ATOM 0 HB1 ALA A 51 1.721 -8.304 -21.546 1.00 11.15 H new ATOM 0 HB2 ALA A 51 3.471 -8.493 -21.281 1.00 11.15 H new ATOM 0 HB3 ALA A 51 2.503 -9.874 -21.849 1.00 11.15 H new ATOM 775 N SER A 52 -0.144 -9.254 -19.280 1.00 21.31 N ATOM 776 CA SER A 52 -1.544 -9.698 -19.133 1.00 42.35 C ATOM 777 C SER A 52 -2.480 -8.602 -19.670 1.00 21.20 C ATOM 778 O SER A 52 -2.247 -7.411 -19.421 1.00 11.30 O ATOM 779 CB SER A 52 -1.859 -10.021 -17.650 1.00 41.40 C ATOM 780 OG SER A 52 -1.487 -8.953 -16.791 1.00 25.32 O ATOM 0 H SER A 52 -0.015 -8.260 -19.093 1.00 21.31 H new ATOM 0 HA SER A 52 -1.699 -10.610 -19.709 1.00 42.35 H new ATOM 0 HB2 SER A 52 -2.924 -10.223 -17.540 1.00 41.40 H new ATOM 0 HB3 SER A 52 -1.330 -10.927 -17.354 1.00 41.40 H new ATOM 0 HG SER A 52 -1.701 -9.189 -15.864 1.00 25.32 H new ATOM 786 N PHE A 53 -3.531 -9.008 -20.409 1.00 11.11 N ATOM 787 CA PHE A 53 -4.468 -8.078 -21.083 1.00 42.43 C ATOM 788 C PHE A 53 -5.914 -8.504 -20.815 1.00 63.34 C ATOM 789 O PHE A 53 -6.147 -9.594 -20.286 1.00 74.21 O ATOM 790 CB PHE A 53 -4.169 -8.054 -22.610 1.00 0.21 C ATOM 791 CG PHE A 53 -2.721 -7.675 -22.921 1.00 75.12 C ATOM 792 CD1 PHE A 53 -2.292 -6.351 -22.787 1.00 75.23 C ATOM 793 CD2 PHE A 53 -1.781 -8.639 -23.284 1.00 73.23 C ATOM 794 CE1 PHE A 53 -0.977 -6.005 -23.022 1.00 11.30 C ATOM 795 CE2 PHE A 53 -0.469 -8.290 -23.507 1.00 72.50 C ATOM 796 CZ PHE A 53 -0.067 -6.972 -23.378 1.00 23.04 C ATOM 0 H PHE A 53 -3.757 -9.991 -20.558 1.00 11.11 H new ATOM 0 HA PHE A 53 -4.332 -7.072 -20.686 1.00 42.43 H new ATOM 0 HB2 PHE A 53 -4.382 -9.035 -23.033 1.00 0.21 H new ATOM 0 HB3 PHE A 53 -4.839 -7.345 -23.096 1.00 0.21 H new ATOM 0 HD1 PHE A 53 -2.999 -5.589 -22.496 1.00 75.23 H new ATOM 0 HD2 PHE A 53 -2.086 -9.670 -23.391 1.00 73.23 H new ATOM 0 HE1 PHE A 53 -0.663 -4.976 -22.926 1.00 11.30 H new ATOM 0 HE2 PHE A 53 0.250 -9.047 -23.784 1.00 72.50 H new ATOM 0 HZ PHE A 53 0.963 -6.703 -23.557 1.00 23.04 H new ATOM 806 N THR A 54 -6.877 -7.635 -21.157 1.00 20.14 N ATOM 807 CA THR A 54 -8.313 -7.939 -21.003 1.00 40.21 C ATOM 808 C THR A 54 -8.955 -8.241 -22.370 1.00 71.54 C ATOM 809 O THR A 54 -9.730 -9.194 -22.496 1.00 44.03 O ATOM 810 CB THR A 54 -9.072 -6.778 -20.262 1.00 54.34 C ATOM 811 OG1 THR A 54 -10.465 -7.095 -20.114 1.00 14.12 O ATOM 812 CG2 THR A 54 -8.928 -5.416 -20.971 1.00 24.44 C ATOM 0 H THR A 54 -6.689 -6.710 -21.544 1.00 20.14 H new ATOM 0 HA THR A 54 -8.401 -8.831 -20.382 1.00 40.21 H new ATOM 0 HB THR A 54 -8.605 -6.688 -19.281 1.00 54.34 H new ATOM 0 HG1 THR A 54 -10.920 -6.362 -19.650 1.00 14.12 H new ATOM 0 HG21 THR A 54 -9.473 -4.655 -20.412 1.00 24.44 H new ATOM 0 HG22 THR A 54 -7.874 -5.142 -21.023 1.00 24.44 H new ATOM 0 HG23 THR A 54 -9.335 -5.486 -21.980 1.00 24.44 H new ATOM 820 N GLN A 55 -8.617 -7.435 -23.393 1.00 25.43 N ATOM 821 CA GLN A 55 -9.186 -7.583 -24.745 1.00 62.31 C ATOM 822 C GLN A 55 -8.217 -8.339 -25.663 1.00 20.24 C ATOM 823 O GLN A 55 -7.004 -8.403 -25.411 1.00 74.43 O ATOM 824 CB GLN A 55 -9.509 -6.200 -25.372 1.00 35.41 C ATOM 825 CG GLN A 55 -10.431 -5.281 -24.542 1.00 73.53 C ATOM 826 CD GLN A 55 -11.801 -5.888 -24.248 1.00 21.10 C ATOM 827 OE1 GLN A 55 -12.012 -6.518 -23.209 1.00 72.35 O ATOM 828 NE2 GLN A 55 -12.737 -5.715 -25.165 1.00 63.30 N ATOM 0 H GLN A 55 -7.948 -6.670 -23.308 1.00 25.43 H new ATOM 0 HA GLN A 55 -10.110 -8.152 -24.648 1.00 62.31 H new ATOM 0 HB2 GLN A 55 -8.570 -5.675 -25.550 1.00 35.41 H new ATOM 0 HB3 GLN A 55 -9.972 -6.363 -26.345 1.00 35.41 H new ATOM 0 HG2 GLN A 55 -9.939 -5.044 -23.599 1.00 73.53 H new ATOM 0 HG3 GLN A 55 -10.567 -4.340 -25.076 1.00 73.53 H new ATOM 0 HE21 GLN A 55 -12.529 -5.188 -26.013 1.00 63.30 H new ATOM 0 HE22 GLN A 55 -13.668 -6.108 -25.024 1.00 63.30 H new ATOM 837 N LYS A 56 -8.790 -8.890 -26.743 1.00 2.25 N ATOM 838 CA LYS A 56 -8.051 -9.568 -27.818 1.00 13.44 C ATOM 839 C LYS A 56 -7.222 -8.556 -28.629 1.00 63.01 C ATOM 840 O LYS A 56 -6.163 -8.901 -29.115 1.00 63.41 O ATOM 841 CB LYS A 56 -9.057 -10.321 -28.727 1.00 13.32 C ATOM 842 CG LYS A 56 -8.413 -11.177 -29.833 1.00 55.02 C ATOM 843 CD LYS A 56 -9.458 -11.806 -30.780 1.00 5.21 C ATOM 844 CE LYS A 56 -8.822 -12.609 -31.915 1.00 5.41 C ATOM 845 NZ LYS A 56 -9.840 -13.137 -32.869 1.00 52.33 N ATOM 0 H LYS A 56 -9.798 -8.877 -26.897 1.00 2.25 H new ATOM 0 HA LYS A 56 -7.355 -10.287 -27.385 1.00 13.44 H new ATOM 0 HB2 LYS A 56 -9.677 -10.965 -28.103 1.00 13.32 H new ATOM 0 HB3 LYS A 56 -9.721 -9.592 -29.192 1.00 13.32 H new ATOM 0 HG2 LYS A 56 -7.728 -10.559 -30.413 1.00 55.02 H new ATOM 0 HG3 LYS A 56 -7.819 -11.968 -29.376 1.00 55.02 H new ATOM 0 HD2 LYS A 56 -10.117 -12.457 -30.205 1.00 5.21 H new ATOM 0 HD3 LYS A 56 -10.079 -11.017 -31.203 1.00 5.21 H new ATOM 0 HE2 LYS A 56 -8.115 -11.978 -32.453 1.00 5.41 H new ATOM 0 HE3 LYS A 56 -8.253 -13.439 -31.496 1.00 5.41 H new ATOM 0 HZ1 LYS A 56 -9.365 -13.675 -33.622 1.00 52.33 H new ATOM 0 HZ2 LYS A 56 -10.500 -13.761 -32.362 1.00 52.33 H new ATOM 0 HZ3 LYS A 56 -10.366 -12.344 -33.289 1.00 52.33 H new ATOM 859 N GLY A 57 -7.716 -7.306 -28.746 1.00 72.44 N ATOM 860 CA GLY A 57 -6.994 -6.247 -29.477 1.00 62.41 C ATOM 861 C GLY A 57 -5.636 -5.910 -28.850 1.00 61.12 C ATOM 862 O GLY A 57 -4.661 -5.638 -29.563 1.00 11.10 O ATOM 0 H GLY A 57 -8.606 -7.008 -28.346 1.00 72.44 H new ATOM 0 HA2 GLY A 57 -6.844 -6.563 -30.509 1.00 62.41 H new ATOM 0 HA3 GLY A 57 -7.609 -5.348 -29.505 1.00 62.41 H new ATOM 866 N ASN A 58 -5.585 -5.948 -27.505 1.00 3.24 N ATOM 867 CA ASN A 58 -4.353 -5.676 -26.730 1.00 53.02 C ATOM 868 C ASN A 58 -3.400 -6.880 -26.795 1.00 11.13 C ATOM 869 O ASN A 58 -2.178 -6.713 -26.896 1.00 64.51 O ATOM 870 CB ASN A 58 -4.690 -5.358 -25.252 1.00 14.05 C ATOM 871 CG ASN A 58 -5.685 -4.215 -25.087 1.00 33.30 C ATOM 872 OD1 ASN A 58 -6.888 -4.437 -25.020 1.00 40.03 O ATOM 873 ND2 ASN A 58 -5.199 -2.980 -25.019 1.00 1.12 N ATOM 0 H ASN A 58 -6.394 -6.167 -26.923 1.00 3.24 H new ATOM 0 HA ASN A 58 -3.864 -4.808 -27.173 1.00 53.02 H new ATOM 0 HB2 ASN A 58 -5.095 -6.253 -24.780 1.00 14.05 H new ATOM 0 HB3 ASN A 58 -3.770 -5.107 -24.724 1.00 14.05 H new ATOM 0 HD21 ASN A 58 -5.832 -2.188 -24.908 1.00 1.12 H new ATOM 0 HD22 ASN A 58 -4.193 -2.824 -25.077 1.00 1.12 H new ATOM 880 N LEU A 59 -3.989 -8.093 -26.740 1.00 33.01 N ATOM 881 CA LEU A 59 -3.235 -9.357 -26.796 1.00 25.13 C ATOM 882 C LEU A 59 -2.531 -9.494 -28.164 1.00 41.03 C ATOM 883 O LEU A 59 -1.321 -9.696 -28.213 1.00 12.00 O ATOM 884 CB LEU A 59 -4.169 -10.574 -26.540 1.00 31.34 C ATOM 885 CG LEU A 59 -3.473 -11.978 -26.545 1.00 34.23 C ATOM 886 CD1 LEU A 59 -2.423 -12.099 -25.419 1.00 1.23 C ATOM 887 CD2 LEU A 59 -4.505 -13.130 -26.485 1.00 65.53 C ATOM 0 H LEU A 59 -4.997 -8.221 -26.656 1.00 33.01 H new ATOM 0 HA LEU A 59 -2.480 -9.342 -26.010 1.00 25.13 H new ATOM 0 HB2 LEU A 59 -4.660 -10.436 -25.577 1.00 31.34 H new ATOM 0 HB3 LEU A 59 -4.951 -10.574 -27.299 1.00 31.34 H new ATOM 0 HG LEU A 59 -2.943 -12.068 -27.493 1.00 34.23 H new ATOM 0 HD11 LEU A 59 -1.963 -13.086 -25.455 1.00 1.23 H new ATOM 0 HD12 LEU A 59 -1.656 -11.336 -25.553 1.00 1.23 H new ATOM 0 HD13 LEU A 59 -2.908 -11.960 -24.453 1.00 1.23 H new ATOM 0 HD21 LEU A 59 -3.983 -14.087 -26.490 1.00 65.53 H new ATOM 0 HD22 LEU A 59 -5.094 -13.043 -25.572 1.00 65.53 H new ATOM 0 HD23 LEU A 59 -5.165 -13.072 -27.350 1.00 65.53 H new ATOM 899 N LEU A 60 -3.316 -9.318 -29.253 1.00 14.53 N ATOM 900 CA LEU A 60 -2.845 -9.425 -30.655 1.00 51.02 C ATOM 901 C LEU A 60 -1.685 -8.446 -30.940 1.00 43.31 C ATOM 902 O LEU A 60 -0.738 -8.793 -31.650 1.00 75.05 O ATOM 903 CB LEU A 60 -4.021 -9.155 -31.647 1.00 14.01 C ATOM 904 CG LEU A 60 -5.130 -10.252 -31.766 1.00 12.51 C ATOM 905 CD1 LEU A 60 -6.212 -9.829 -32.793 1.00 54.30 C ATOM 906 CD2 LEU A 60 -4.531 -11.631 -32.117 1.00 23.23 C ATOM 0 H LEU A 60 -4.309 -9.094 -29.182 1.00 14.53 H new ATOM 0 HA LEU A 60 -2.476 -10.440 -30.800 1.00 51.02 H new ATOM 0 HB2 LEU A 60 -4.501 -8.221 -31.354 1.00 14.01 H new ATOM 0 HB3 LEU A 60 -3.596 -8.997 -32.638 1.00 14.01 H new ATOM 0 HG LEU A 60 -5.608 -10.349 -30.791 1.00 12.51 H new ATOM 0 HD11 LEU A 60 -6.973 -10.606 -32.860 1.00 54.30 H new ATOM 0 HD12 LEU A 60 -6.674 -8.895 -32.471 1.00 54.30 H new ATOM 0 HD13 LEU A 60 -5.751 -9.688 -33.770 1.00 54.30 H new ATOM 0 HD21 LEU A 60 -5.331 -12.367 -32.191 1.00 23.23 H new ATOM 0 HD22 LEU A 60 -4.007 -11.568 -33.070 1.00 23.23 H new ATOM 0 HD23 LEU A 60 -3.831 -11.933 -31.337 1.00 23.23 H new ATOM 918 N ARG A 61 -1.786 -7.247 -30.354 1.00 74.42 N ATOM 919 CA ARG A 61 -0.807 -6.160 -30.519 1.00 70.52 C ATOM 920 C ARG A 61 0.564 -6.592 -29.928 1.00 31.24 C ATOM 921 O ARG A 61 1.606 -6.417 -30.567 1.00 22.45 O ATOM 922 CB ARG A 61 -1.379 -4.872 -29.833 1.00 61.41 C ATOM 923 CG ARG A 61 -0.755 -3.511 -30.257 1.00 34.31 C ATOM 924 CD ARG A 61 0.604 -3.192 -29.602 1.00 20.20 C ATOM 925 NE ARG A 61 1.152 -1.912 -30.086 1.00 5.42 N ATOM 926 CZ ARG A 61 2.446 -1.563 -30.042 1.00 51.25 C ATOM 927 NH1 ARG A 61 3.365 -2.383 -29.542 1.00 33.21 N ATOM 928 NH2 ARG A 61 2.829 -0.400 -30.539 1.00 34.41 N ATOM 0 H ARG A 61 -2.562 -6.998 -29.741 1.00 74.42 H new ATOM 0 HA ARG A 61 -0.639 -5.939 -31.573 1.00 70.52 H new ATOM 0 HB2 ARG A 61 -2.450 -4.830 -30.030 1.00 61.41 H new ATOM 0 HB3 ARG A 61 -1.258 -4.980 -28.755 1.00 61.41 H new ATOM 0 HG2 ARG A 61 -0.631 -3.506 -31.340 1.00 34.31 H new ATOM 0 HG3 ARG A 61 -1.457 -2.713 -30.013 1.00 34.31 H new ATOM 0 HD2 ARG A 61 0.486 -3.152 -28.519 1.00 20.20 H new ATOM 0 HD3 ARG A 61 1.309 -3.995 -29.816 1.00 20.20 H new ATOM 0 HE ARG A 61 0.496 -1.240 -30.485 1.00 5.42 H new ATOM 0 HH11 ARG A 61 3.091 -3.297 -29.182 1.00 33.21 H new ATOM 0 HH12 ARG A 61 4.344 -2.098 -29.518 1.00 33.21 H new ATOM 0 HH21 ARG A 61 2.141 0.229 -30.954 1.00 34.41 H new ATOM 0 HH22 ARG A 61 3.812 -0.131 -30.507 1.00 34.41 H new ATOM 942 N HIS A 62 0.525 -7.215 -28.736 1.00 43.23 N ATOM 943 CA HIS A 62 1.735 -7.618 -27.990 1.00 1.12 C ATOM 944 C HIS A 62 2.393 -8.870 -28.595 1.00 3.03 C ATOM 945 O HIS A 62 3.610 -8.913 -28.785 1.00 52.51 O ATOM 946 CB HIS A 62 1.361 -7.893 -26.516 1.00 44.21 C ATOM 947 CG HIS A 62 2.517 -8.253 -25.617 1.00 43.32 C ATOM 948 ND1 HIS A 62 3.156 -7.351 -24.809 1.00 33.13 N ATOM 949 CD2 HIS A 62 3.146 -9.435 -25.428 1.00 52.43 C ATOM 950 CE1 HIS A 62 4.128 -7.983 -24.165 1.00 1.10 C ATOM 951 NE2 HIS A 62 4.174 -9.266 -24.508 1.00 50.11 N ATOM 0 H HIS A 62 -0.346 -7.454 -28.261 1.00 43.23 H new ATOM 0 HA HIS A 62 2.454 -6.801 -28.053 1.00 1.12 H new ATOM 0 HB2 HIS A 62 0.869 -7.009 -26.112 1.00 44.21 H new ATOM 0 HB3 HIS A 62 0.633 -8.704 -26.488 1.00 44.21 H new ATOM 0 HD1 HIS A 62 2.924 -6.362 -24.718 1.00 33.13 H new ATOM 0 HD2 HIS A 62 2.890 -10.364 -25.915 1.00 52.43 H new ATOM 0 HE1 HIS A 62 4.795 -7.516 -23.455 1.00 1.10 H new ATOM 959 N ILE A 63 1.573 -9.901 -28.841 1.00 62.41 N ATOM 960 CA ILE A 63 2.046 -11.219 -29.319 1.00 74.43 C ATOM 961 C ILE A 63 2.592 -11.128 -30.754 1.00 64.30 C ATOM 962 O ILE A 63 3.402 -11.961 -31.172 1.00 42.14 O ATOM 963 CB ILE A 63 0.932 -12.329 -29.187 1.00 32.14 C ATOM 964 CG1 ILE A 63 -0.274 -12.059 -30.139 1.00 5.44 C ATOM 965 CG2 ILE A 63 0.469 -12.437 -27.714 1.00 72.42 C ATOM 966 CD1 ILE A 63 -1.439 -13.043 -30.026 1.00 24.12 C ATOM 0 H ILE A 63 0.562 -9.850 -28.716 1.00 62.41 H new ATOM 0 HA ILE A 63 2.870 -11.522 -28.673 1.00 74.43 H new ATOM 0 HB ILE A 63 1.365 -13.282 -29.492 1.00 32.14 H new ATOM 0 HG12 ILE A 63 -0.650 -11.055 -29.944 1.00 5.44 H new ATOM 0 HG13 ILE A 63 0.088 -12.069 -31.167 1.00 5.44 H new ATOM 0 HG21 ILE A 63 -0.300 -13.205 -27.630 1.00 72.42 H new ATOM 0 HG22 ILE A 63 1.318 -12.703 -27.084 1.00 72.42 H new ATOM 0 HG23 ILE A 63 0.062 -11.479 -27.389 1.00 72.42 H new ATOM 0 HD11 ILE A 63 -2.222 -12.763 -30.731 1.00 24.12 H new ATOM 0 HD12 ILE A 63 -1.089 -14.050 -30.254 1.00 24.12 H new ATOM 0 HD13 ILE A 63 -1.838 -13.019 -29.012 1.00 24.12 H new ATOM 978 N LYS A 64 2.120 -10.113 -31.502 1.00 51.22 N ATOM 979 CA LYS A 64 2.643 -9.775 -32.830 1.00 52.23 C ATOM 980 C LYS A 64 4.154 -9.433 -32.759 1.00 72.42 C ATOM 981 O LYS A 64 4.912 -9.763 -33.666 1.00 41.32 O ATOM 982 CB LYS A 64 1.852 -8.586 -33.419 1.00 61.53 C ATOM 983 CG LYS A 64 2.106 -8.328 -34.916 1.00 22.30 C ATOM 984 CD LYS A 64 1.538 -6.984 -35.415 1.00 54.14 C ATOM 985 CE LYS A 64 2.177 -5.776 -34.711 1.00 41.11 C ATOM 986 NZ LYS A 64 3.664 -5.773 -34.842 1.00 71.30 N ATOM 0 H LYS A 64 1.361 -9.504 -31.196 1.00 51.22 H new ATOM 0 HA LYS A 64 2.522 -10.642 -33.480 1.00 52.23 H new ATOM 0 HB2 LYS A 64 0.787 -8.765 -33.270 1.00 61.53 H new ATOM 0 HB3 LYS A 64 2.105 -7.685 -32.860 1.00 61.53 H new ATOM 0 HG2 LYS A 64 3.180 -8.351 -35.103 1.00 22.30 H new ATOM 0 HG3 LYS A 64 1.664 -9.138 -35.496 1.00 22.30 H new ATOM 0 HD2 LYS A 64 1.700 -6.902 -36.490 1.00 54.14 H new ATOM 0 HD3 LYS A 64 0.460 -6.966 -35.253 1.00 54.14 H new ATOM 0 HE2 LYS A 64 1.774 -4.856 -35.134 1.00 41.11 H new ATOM 0 HE3 LYS A 64 1.906 -5.787 -33.655 1.00 41.11 H new ATOM 0 HZ1 LYS A 64 4.042 -4.871 -34.489 1.00 71.30 H new ATOM 0 HZ2 LYS A 64 4.063 -6.556 -34.286 1.00 71.30 H new ATOM 0 HZ3 LYS A 64 3.925 -5.890 -35.842 1.00 71.30 H new ATOM 1000 N LEU A 65 4.560 -8.789 -31.643 1.00 73.50 N ATOM 1001 CA LEU A 65 5.965 -8.391 -31.373 1.00 11.31 C ATOM 1002 C LEU A 65 6.860 -9.611 -31.066 1.00 32.32 C ATOM 1003 O LEU A 65 8.085 -9.542 -31.211 1.00 34.34 O ATOM 1004 CB LEU A 65 5.995 -7.384 -30.190 1.00 3.04 C ATOM 1005 CG LEU A 65 5.188 -6.064 -30.409 1.00 61.33 C ATOM 1006 CD1 LEU A 65 5.058 -5.253 -29.102 1.00 13.43 C ATOM 1007 CD2 LEU A 65 5.816 -5.222 -31.537 1.00 22.30 C ATOM 0 H LEU A 65 3.918 -8.527 -30.895 1.00 73.50 H new ATOM 0 HA LEU A 65 6.365 -7.918 -32.270 1.00 11.31 H new ATOM 0 HB2 LEU A 65 5.608 -7.883 -29.301 1.00 3.04 H new ATOM 0 HB3 LEU A 65 7.033 -7.124 -29.983 1.00 3.04 H new ATOM 0 HG LEU A 65 4.178 -6.337 -30.716 1.00 61.33 H new ATOM 0 HD11 LEU A 65 4.491 -4.342 -29.294 1.00 13.43 H new ATOM 0 HD12 LEU A 65 4.541 -5.852 -28.352 1.00 13.43 H new ATOM 0 HD13 LEU A 65 6.051 -4.992 -28.736 1.00 13.43 H new ATOM 0 HD21 LEU A 65 5.239 -4.308 -31.673 1.00 22.30 H new ATOM 0 HD22 LEU A 65 6.842 -4.967 -31.273 1.00 22.30 H new ATOM 0 HD23 LEU A 65 5.812 -5.795 -32.464 1.00 22.30 H new ATOM 1019 N HIS A 66 6.235 -10.719 -30.629 1.00 31.11 N ATOM 1020 CA HIS A 66 6.939 -12.016 -30.423 1.00 5.32 C ATOM 1021 C HIS A 66 7.278 -12.696 -31.769 1.00 41.15 C ATOM 1022 O HIS A 66 8.074 -13.649 -31.809 1.00 41.24 O ATOM 1023 CB HIS A 66 6.076 -12.969 -29.540 1.00 40.51 C ATOM 1024 CG HIS A 66 6.028 -12.614 -28.074 1.00 70.50 C ATOM 1025 ND1 HIS A 66 6.601 -13.386 -27.099 1.00 1.52 N ATOM 1026 CD2 HIS A 66 5.452 -11.562 -27.432 1.00 11.44 C ATOM 1027 CE1 HIS A 66 6.378 -12.810 -25.921 1.00 73.42 C ATOM 1028 NE2 HIS A 66 5.683 -11.681 -26.059 1.00 74.14 N ATOM 0 H HIS A 66 5.240 -10.751 -30.408 1.00 31.11 H new ATOM 0 HA HIS A 66 7.877 -11.806 -29.908 1.00 5.32 H new ATOM 0 HB2 HIS A 66 5.058 -12.978 -29.929 1.00 40.51 H new ATOM 0 HB3 HIS A 66 6.464 -13.983 -29.640 1.00 40.51 H new ATOM 0 HD1 HIS A 66 7.112 -14.256 -27.250 1.00 1.52 H new ATOM 0 HD2 HIS A 66 4.904 -10.762 -27.908 1.00 11.44 H new ATOM 0 HE1 HIS A 66 6.716 -13.206 -24.975 1.00 73.42 H new ATOM 1036 N SER A 67 6.689 -12.187 -32.851 1.00 71.24 N ATOM 1037 CA SER A 67 6.885 -12.708 -34.209 1.00 42.03 C ATOM 1038 C SER A 67 7.285 -11.549 -35.142 1.00 42.03 C ATOM 1039 O SER A 67 7.425 -10.396 -34.698 1.00 34.44 O ATOM 1040 CB SER A 67 5.578 -13.391 -34.664 1.00 24.11 C ATOM 1041 OG SER A 67 5.712 -14.021 -35.923 1.00 74.33 O ATOM 0 H SER A 67 6.053 -11.390 -32.811 1.00 71.24 H new ATOM 0 HA SER A 67 7.686 -13.447 -34.237 1.00 42.03 H new ATOM 0 HB2 SER A 67 5.279 -14.130 -33.921 1.00 24.11 H new ATOM 0 HB3 SER A 67 4.781 -12.649 -34.714 1.00 24.11 H new ATOM 0 HG SER A 67 4.862 -14.441 -36.171 1.00 74.33 H new ATOM 1047 N GLY A 68 7.472 -11.861 -36.433 1.00 61.23 N ATOM 1048 CA GLY A 68 7.810 -10.863 -37.447 1.00 33.20 C ATOM 1049 C GLY A 68 6.951 -11.022 -38.695 1.00 21.14 C ATOM 1050 O GLY A 68 6.725 -12.156 -39.145 1.00 44.11 O ATOM 0 H GLY A 68 7.393 -12.810 -36.798 1.00 61.23 H new ATOM 0 HA2 GLY A 68 7.673 -9.863 -37.035 1.00 33.20 H new ATOM 0 HA3 GLY A 68 8.863 -10.956 -37.714 1.00 33.20 H new ATOM 1054 N GLU A 69 6.448 -9.882 -39.217 1.00 62.03 N ATOM 1055 CA GLU A 69 5.722 -9.790 -40.507 1.00 41.43 C ATOM 1056 C GLU A 69 4.346 -10.525 -40.458 1.00 4.33 C ATOM 1057 O GLU A 69 3.878 -11.086 -41.454 1.00 33.00 O ATOM 1058 CB GLU A 69 6.623 -10.285 -41.689 1.00 22.40 C ATOM 1059 CG GLU A 69 6.134 -9.872 -43.095 1.00 72.14 C ATOM 1060 CD GLU A 69 7.026 -10.394 -44.230 1.00 14.20 C ATOM 1061 OE1 GLU A 69 8.012 -9.720 -44.586 1.00 61.45 O ATOM 1062 OE2 GLU A 69 6.749 -11.488 -44.767 1.00 14.55 O ATOM 0 H GLU A 69 6.536 -8.982 -38.746 1.00 62.03 H new ATOM 0 HA GLU A 69 5.495 -8.739 -40.688 1.00 41.43 H new ATOM 0 HB2 GLU A 69 7.632 -9.900 -41.543 1.00 22.40 H new ATOM 0 HB3 GLU A 69 6.687 -11.372 -41.647 1.00 22.40 H new ATOM 0 HG2 GLU A 69 5.119 -10.242 -43.241 1.00 72.14 H new ATOM 0 HG3 GLU A 69 6.088 -8.784 -43.150 1.00 72.14 H new ATOM 1069 N LYS A 70 3.688 -10.482 -39.285 1.00 4.32 N ATOM 1070 CA LYS A 70 2.284 -10.932 -39.132 1.00 20.53 C ATOM 1071 C LYS A 70 1.317 -9.952 -39.851 1.00 24.24 C ATOM 1072 O LYS A 70 1.520 -8.732 -39.782 1.00 2.44 O ATOM 1073 CB LYS A 70 1.904 -11.063 -37.631 1.00 32.23 C ATOM 1074 CG LYS A 70 2.448 -12.339 -36.947 1.00 73.32 C ATOM 1075 CD LYS A 70 2.191 -12.363 -35.428 1.00 43.15 C ATOM 1076 CE LYS A 70 0.707 -12.299 -35.044 1.00 20.32 C ATOM 1077 NZ LYS A 70 -0.042 -13.496 -35.516 1.00 54.35 N ATOM 0 H LYS A 70 4.106 -10.138 -38.421 1.00 4.32 H new ATOM 0 HA LYS A 70 2.191 -11.915 -39.594 1.00 20.53 H new ATOM 0 HB2 LYS A 70 2.278 -10.190 -37.096 1.00 32.23 H new ATOM 0 HB3 LYS A 70 0.818 -11.051 -37.541 1.00 32.23 H new ATOM 0 HG2 LYS A 70 1.985 -13.214 -37.402 1.00 73.32 H new ATOM 0 HG3 LYS A 70 3.520 -12.414 -37.130 1.00 73.32 H new ATOM 0 HD2 LYS A 70 2.624 -13.272 -35.011 1.00 43.15 H new ATOM 0 HD3 LYS A 70 2.711 -11.522 -34.969 1.00 43.15 H new ATOM 0 HE2 LYS A 70 0.616 -12.218 -33.961 1.00 20.32 H new ATOM 0 HE3 LYS A 70 0.260 -11.400 -35.470 1.00 20.32 H new ATOM 0 HZ1 LYS A 70 -1.040 -13.413 -35.236 1.00 54.35 H new ATOM 0 HZ2 LYS A 70 0.023 -13.560 -36.552 1.00 54.35 H new ATOM 0 HZ3 LYS A 70 0.367 -14.352 -35.090 1.00 54.35 H new ATOM 1091 N PRO A 71 0.258 -10.481 -40.557 1.00 54.22 N ATOM 1092 CA PRO A 71 -0.701 -9.651 -41.333 1.00 55.12 C ATOM 1093 C PRO A 71 -1.597 -8.758 -40.430 1.00 21.15 C ATOM 1094 O PRO A 71 -2.704 -9.142 -40.036 1.00 22.24 O ATOM 1095 CB PRO A 71 -1.528 -10.709 -42.115 1.00 13.12 C ATOM 1096 CG PRO A 71 -1.458 -11.944 -41.268 1.00 50.15 C ATOM 1097 CD PRO A 71 -0.076 -11.933 -40.660 1.00 12.03 C ATOM 0 HA PRO A 71 -0.200 -8.932 -41.981 1.00 55.12 H new ATOM 0 HB2 PRO A 71 -2.558 -10.382 -42.255 1.00 13.12 H new ATOM 0 HB3 PRO A 71 -1.111 -10.884 -43.107 1.00 13.12 H new ATOM 0 HG2 PRO A 71 -2.227 -11.935 -40.496 1.00 50.15 H new ATOM 0 HG3 PRO A 71 -1.617 -12.841 -41.867 1.00 50.15 H new ATOM 0 HD2 PRO A 71 -0.065 -12.416 -39.683 1.00 12.03 H new ATOM 0 HD3 PRO A 71 0.641 -12.465 -41.286 1.00 12.03 H new ATOM 1105 N PHE A 72 -1.073 -7.575 -40.084 1.00 13.03 N ATOM 1106 CA PHE A 72 -1.780 -6.583 -39.256 1.00 45.11 C ATOM 1107 C PHE A 72 -2.316 -5.465 -40.171 1.00 63.01 C ATOM 1108 O PHE A 72 -1.533 -4.721 -40.773 1.00 65.13 O ATOM 1109 CB PHE A 72 -0.814 -6.010 -38.179 1.00 21.51 C ATOM 1110 CG PHE A 72 -1.449 -5.006 -37.216 1.00 54.41 C ATOM 1111 CD1 PHE A 72 -2.143 -5.444 -36.085 1.00 44.51 C ATOM 1112 CD2 PHE A 72 -1.361 -3.626 -37.435 1.00 55.20 C ATOM 1113 CE1 PHE A 72 -2.727 -4.541 -35.217 1.00 3.32 C ATOM 1114 CE2 PHE A 72 -1.950 -2.728 -36.568 1.00 33.41 C ATOM 1115 CZ PHE A 72 -2.630 -3.187 -35.455 1.00 70.15 C ATOM 0 H PHE A 72 -0.141 -7.275 -40.371 1.00 13.03 H new ATOM 0 HA PHE A 72 -2.618 -7.051 -38.740 1.00 45.11 H new ATOM 0 HB2 PHE A 72 -0.405 -6.838 -37.600 1.00 21.51 H new ATOM 0 HB3 PHE A 72 0.024 -5.529 -38.683 1.00 21.51 H new ATOM 0 HD1 PHE A 72 -2.224 -6.503 -35.887 1.00 44.51 H new ATOM 0 HD2 PHE A 72 -0.823 -3.258 -38.296 1.00 55.20 H new ATOM 0 HE1 PHE A 72 -3.261 -4.898 -34.349 1.00 3.32 H new ATOM 0 HE2 PHE A 72 -1.880 -1.667 -36.759 1.00 33.41 H new ATOM 0 HZ PHE A 72 -3.085 -2.485 -34.772 1.00 70.15 H new ATOM 1125 N LYS A 73 -3.650 -5.384 -40.299 1.00 63.44 N ATOM 1126 CA LYS A 73 -4.335 -4.328 -41.075 1.00 5.55 C ATOM 1127 C LYS A 73 -4.976 -3.318 -40.087 1.00 24.52 C ATOM 1128 O LYS A 73 -6.189 -3.408 -39.806 1.00 71.25 O ATOM 1129 CB LYS A 73 -5.379 -4.982 -42.045 1.00 13.42 C ATOM 1130 CG LYS A 73 -4.800 -5.996 -43.077 1.00 53.25 C ATOM 1131 CD LYS A 73 -4.254 -5.357 -44.389 1.00 35.12 C ATOM 1132 CE LYS A 73 -3.010 -4.471 -44.213 1.00 24.25 C ATOM 1133 NZ LYS A 73 -1.868 -5.209 -43.612 1.00 25.34 N ATOM 1134 OXT LYS A 73 -4.233 -2.473 -39.543 1.00 38.20 O ATOM 0 H LYS A 73 -4.290 -6.050 -39.867 1.00 63.44 H new ATOM 0 HA LYS A 73 -3.629 -3.778 -41.697 1.00 5.55 H new ATOM 0 HB2 LYS A 73 -6.134 -5.492 -41.446 1.00 13.42 H new ATOM 0 HB3 LYS A 73 -5.888 -4.187 -42.590 1.00 13.42 H new ATOM 0 HG2 LYS A 73 -3.996 -6.557 -42.601 1.00 53.25 H new ATOM 0 HG3 LYS A 73 -5.579 -6.713 -43.336 1.00 53.25 H new ATOM 0 HD2 LYS A 73 -4.016 -6.155 -45.092 1.00 35.12 H new ATOM 0 HD3 LYS A 73 -5.046 -4.760 -44.841 1.00 35.12 H new ATOM 0 HE2 LYS A 73 -2.711 -4.072 -45.183 1.00 24.25 H new ATOM 0 HE3 LYS A 73 -3.261 -3.619 -43.581 1.00 24.25 H new ATOM 0 HZ1 LYS A 73 -0.991 -4.960 -44.113 1.00 25.34 H new ATOM 0 HZ2 LYS A 73 -1.778 -4.951 -42.608 1.00 25.34 H new ATOM 0 HZ3 LYS A 73 -2.035 -6.232 -43.693 1.00 25.34 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.715 -10.320 -24.706 1.00 4.53 ZN