USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 153:sc= -0.288 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 5 HIS : no HD1:sc= -0.0863 K(o=-0.086,f=-0.59) USER MOD Single : A 6 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.06 X(o=-0.06,f=-0.072) USER MOD Single : A 8 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.39) USER MOD Single : A 9 SER OG : rot 28:sc= 0.143 USER MOD Single : A 10 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.2) USER MOD Single : A 11 MET CE :methyl 159:sc= -0.174 (180deg=-0.644) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 30:sc= 0.41 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.218 K(o=-0.22,f=-3!) USER MOD Single : A 29 MET CE :methyl 156:sc= -0.165 (180deg=-1.51) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.735 K(o=-0.74,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -40:sc= 0.674 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 2.23 (180deg=1.19) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 62 GLN : amide:sc= 0.712 K(o=0.71,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 172:sc=-0.00275 (180deg=-0.0849) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.194 7.055 -62.844 1.00 1.34 N ATOM 2 CA MET A 1 3.079 6.197 -62.354 1.00 35.10 C ATOM 3 C MET A 1 3.604 5.074 -61.448 1.00 22.54 C ATOM 4 O MET A 1 4.232 4.127 -61.923 1.00 12.23 O ATOM 5 CB MET A 1 2.317 5.584 -63.540 1.00 1.24 C ATOM 6 CG MET A 1 1.149 4.692 -63.136 1.00 32.22 C ATOM 7 SD MET A 1 0.438 3.798 -64.536 1.00 62.32 S ATOM 8 CE MET A 1 1.845 2.815 -65.058 1.00 21.14 C ATOM 0 H1 MET A 1 3.812 7.806 -63.454 1.00 1.34 H new ATOM 0 H2 MET A 1 4.684 7.484 -62.033 1.00 1.34 H new ATOM 0 H3 MET A 1 4.865 6.475 -63.388 1.00 1.34 H new ATOM 0 HA MET A 1 2.404 6.826 -61.774 1.00 35.10 H new ATOM 0 HB2 MET A 1 1.943 6.389 -64.173 1.00 1.24 H new ATOM 0 HB3 MET A 1 3.013 5.001 -64.143 1.00 1.24 H new ATOM 0 HG2 MET A 1 1.486 3.976 -62.386 1.00 32.22 H new ATOM 0 HG3 MET A 1 0.376 5.302 -62.669 1.00 32.22 H new ATOM 0 HE1 MET A 1 1.493 1.907 -65.548 1.00 21.14 H new ATOM 0 HE2 MET A 1 2.453 3.392 -65.755 1.00 21.14 H new ATOM 0 HE3 MET A 1 2.445 2.548 -64.188 1.00 21.14 H new ATOM 20 N GLY A 2 3.351 5.187 -60.147 1.00 42.44 N ATOM 21 CA GLY A 2 3.762 4.147 -59.209 1.00 73.03 C ATOM 22 C GLY A 2 4.066 4.681 -57.814 1.00 24.10 C ATOM 23 O GLY A 2 5.217 4.652 -57.369 1.00 2.32 O ATOM 0 H GLY A 2 2.869 5.979 -59.722 1.00 42.44 H new ATOM 0 HA2 GLY A 2 2.974 3.397 -59.140 1.00 73.03 H new ATOM 0 HA3 GLY A 2 4.647 3.644 -59.599 1.00 73.03 H new ATOM 27 N HIS A 3 3.040 5.177 -57.125 1.00 72.33 N ATOM 28 CA HIS A 3 3.201 5.691 -55.759 1.00 61.04 C ATOM 29 C HIS A 3 3.577 4.569 -54.781 1.00 63.11 C ATOM 30 O HIS A 3 2.752 3.715 -54.448 1.00 5.44 O ATOM 31 CB HIS A 3 1.915 6.382 -55.290 1.00 33.25 C ATOM 32 CG HIS A 3 1.545 7.580 -56.110 1.00 42.22 C ATOM 33 ND1 HIS A 3 0.477 7.601 -56.978 1.00 25.42 N ATOM 34 CD2 HIS A 3 2.104 8.813 -56.182 1.00 70.42 C ATOM 35 CE1 HIS A 3 0.392 8.784 -57.543 1.00 2.11 C ATOM 36 NE2 HIS A 3 1.364 9.541 -57.080 1.00 41.14 N ATOM 0 H HIS A 3 2.088 5.235 -57.486 1.00 72.33 H new ATOM 0 HA HIS A 3 4.013 6.418 -55.774 1.00 61.04 H new ATOM 0 HB2 HIS A 3 1.095 5.664 -55.320 1.00 33.25 H new ATOM 0 HB3 HIS A 3 2.034 6.687 -54.250 1.00 33.25 H new ATOM 0 HD2 HIS A 3 2.969 9.158 -55.635 1.00 70.42 H new ATOM 0 HE1 HIS A 3 -0.351 9.085 -58.266 1.00 2.11 H new ATOM 0 HE2 HIS A 3 1.539 10.510 -57.345 1.00 41.14 H new ATOM 45 N HIS A 4 4.828 4.575 -54.326 1.00 2.20 N ATOM 46 CA HIS A 4 5.322 3.557 -53.391 1.00 4.40 C ATOM 47 C HIS A 4 4.641 3.688 -52.017 1.00 30.41 C ATOM 48 O HIS A 4 4.763 4.713 -51.344 1.00 14.11 O ATOM 49 CB HIS A 4 6.848 3.662 -53.255 1.00 22.45 C ATOM 50 CG HIS A 4 7.574 3.380 -54.537 1.00 13.12 C ATOM 51 ND1 HIS A 4 8.407 4.289 -55.154 1.00 52.42 N ATOM 52 CD2 HIS A 4 7.582 2.277 -55.325 1.00 71.02 C ATOM 53 CE1 HIS A 4 8.892 3.761 -56.260 1.00 31.22 C ATOM 54 NE2 HIS A 4 8.409 2.544 -56.386 1.00 24.02 N ATOM 0 H HIS A 4 5.523 5.274 -54.588 1.00 2.20 H new ATOM 0 HA HIS A 4 5.073 2.574 -53.791 1.00 4.40 H new ATOM 0 HB2 HIS A 4 7.108 4.663 -52.910 1.00 22.45 H new ATOM 0 HB3 HIS A 4 7.188 2.963 -52.491 1.00 22.45 H new ATOM 0 HD2 HIS A 4 7.039 1.360 -55.150 1.00 71.02 H new ATOM 0 HE1 HIS A 4 9.571 4.245 -56.946 1.00 31.22 H new ATOM 0 HE2 HIS A 4 8.616 1.902 -57.151 1.00 24.02 H new ATOM 63 N HIS A 5 3.928 2.636 -51.609 1.00 41.32 N ATOM 64 CA HIS A 5 3.098 2.679 -50.393 1.00 63.14 C ATOM 65 C HIS A 5 3.918 2.607 -49.093 1.00 31.03 C ATOM 66 O HIS A 5 5.043 2.105 -49.063 1.00 63.42 O ATOM 67 CB HIS A 5 2.058 1.545 -50.408 1.00 74.44 C ATOM 68 CG HIS A 5 2.648 0.167 -50.448 1.00 31.41 C ATOM 69 ND1 HIS A 5 3.187 -0.461 -49.343 1.00 63.31 N ATOM 70 CD2 HIS A 5 2.771 -0.715 -51.469 1.00 33.50 C ATOM 71 CE1 HIS A 5 3.617 -1.658 -49.682 1.00 63.12 C ATOM 72 NE2 HIS A 5 3.375 -1.836 -50.962 1.00 73.13 N ATOM 0 H HIS A 5 3.906 1.742 -52.100 1.00 41.32 H new ATOM 0 HA HIS A 5 2.597 3.647 -50.404 1.00 63.14 H new ATOM 0 HB2 HIS A 5 1.429 1.633 -49.522 1.00 74.44 H new ATOM 0 HB3 HIS A 5 1.409 1.675 -51.274 1.00 74.44 H new ATOM 0 HD2 HIS A 5 2.453 -0.563 -52.490 1.00 33.50 H new ATOM 0 HE1 HIS A 5 4.088 -2.371 -49.022 1.00 63.12 H new ATOM 0 HE2 HIS A 5 3.601 -2.676 -51.494 1.00 73.13 H new ATOM 81 N HIS A 6 3.317 3.107 -48.018 1.00 55.54 N ATOM 82 CA HIS A 6 3.894 3.042 -46.669 1.00 10.12 C ATOM 83 C HIS A 6 2.881 2.425 -45.692 1.00 51.54 C ATOM 84 O HIS A 6 1.685 2.398 -45.980 1.00 75.22 O ATOM 85 CB HIS A 6 4.303 4.448 -46.197 1.00 73.33 C ATOM 86 CG HIS A 6 3.205 5.473 -46.280 1.00 24.14 C ATOM 87 ND1 HIS A 6 3.241 6.543 -47.152 1.00 1.45 N ATOM 88 CD2 HIS A 6 2.048 5.603 -45.587 1.00 42.40 C ATOM 89 CE1 HIS A 6 2.160 7.279 -46.991 1.00 22.44 C ATOM 90 NE2 HIS A 6 1.421 6.733 -46.049 1.00 13.43 N ATOM 0 H HIS A 6 2.410 3.573 -48.053 1.00 55.54 H new ATOM 0 HA HIS A 6 4.783 2.412 -46.696 1.00 10.12 H new ATOM 0 HB2 HIS A 6 4.649 4.386 -45.165 1.00 73.33 H new ATOM 0 HB3 HIS A 6 5.148 4.788 -46.796 1.00 73.33 H new ATOM 0 HD2 HIS A 6 1.686 4.940 -44.815 1.00 42.40 H new ATOM 0 HE1 HIS A 6 1.921 8.178 -47.539 1.00 22.44 H new ATOM 0 HE2 HIS A 6 0.526 7.092 -45.716 1.00 13.43 H new ATOM 99 N HIS A 7 3.346 1.937 -44.541 1.00 14.12 N ATOM 100 CA HIS A 7 2.435 1.378 -43.533 1.00 14.24 C ATOM 101 C HIS A 7 3.050 1.397 -42.119 1.00 55.23 C ATOM 102 O HIS A 7 4.164 0.919 -41.900 1.00 11.40 O ATOM 103 CB HIS A 7 2.002 -0.049 -43.918 1.00 54.21 C ATOM 104 CG HIS A 7 3.085 -1.079 -43.823 1.00 63.22 C ATOM 105 ND1 HIS A 7 3.079 -2.081 -42.879 1.00 52.32 N ATOM 106 CD2 HIS A 7 4.205 -1.270 -44.562 1.00 12.53 C ATOM 107 CE1 HIS A 7 4.141 -2.842 -43.036 1.00 25.15 C ATOM 108 NE2 HIS A 7 4.841 -2.373 -44.048 1.00 74.11 N ATOM 0 H HIS A 7 4.333 1.916 -44.283 1.00 14.12 H new ATOM 0 HA HIS A 7 1.552 2.017 -43.510 1.00 14.24 H new ATOM 0 HB2 HIS A 7 1.176 -0.350 -43.274 1.00 54.21 H new ATOM 0 HB3 HIS A 7 1.621 -0.035 -44.939 1.00 54.21 H new ATOM 0 HD2 HIS A 7 4.535 -0.669 -45.397 1.00 12.53 H new ATOM 0 HE1 HIS A 7 4.395 -3.704 -42.437 1.00 25.15 H new ATOM 0 HE2 HIS A 7 5.716 -2.766 -44.395 1.00 74.11 H new ATOM 117 N HIS A 8 2.305 1.956 -41.170 1.00 41.21 N ATOM 118 CA HIS A 8 2.740 2.034 -39.768 1.00 65.05 C ATOM 119 C HIS A 8 2.546 0.690 -39.044 1.00 31.30 C ATOM 120 O HIS A 8 1.502 0.049 -39.177 1.00 73.43 O ATOM 121 CB HIS A 8 1.962 3.145 -39.040 1.00 33.25 C ATOM 122 CG HIS A 8 0.468 3.030 -39.186 1.00 4.24 C ATOM 123 ND1 HIS A 8 -0.255 3.745 -40.117 1.00 72.04 N ATOM 124 CD2 HIS A 8 -0.437 2.266 -38.524 1.00 50.13 C ATOM 125 CE1 HIS A 8 -1.529 3.425 -40.026 1.00 44.41 C ATOM 126 NE2 HIS A 8 -1.669 2.534 -39.070 1.00 32.44 N ATOM 0 H HIS A 8 1.388 2.367 -41.343 1.00 41.21 H new ATOM 0 HA HIS A 8 3.804 2.269 -39.756 1.00 65.05 H new ATOM 0 HB2 HIS A 8 2.218 3.122 -37.981 1.00 33.25 H new ATOM 0 HB3 HIS A 8 2.283 4.113 -39.424 1.00 33.25 H new ATOM 0 HD2 HIS A 8 -0.228 1.577 -37.719 1.00 50.13 H new ATOM 0 HE1 HIS A 8 -2.325 3.827 -40.635 1.00 44.41 H new ATOM 0 HE2 HIS A 8 -2.550 2.110 -38.780 1.00 32.44 H new ATOM 135 N SER A 9 3.546 0.270 -38.273 1.00 74.21 N ATOM 136 CA SER A 9 3.469 -0.995 -37.526 1.00 50.34 C ATOM 137 C SER A 9 3.983 -0.837 -36.087 1.00 75.12 C ATOM 138 O SER A 9 5.101 -0.375 -35.860 1.00 31.33 O ATOM 139 CB SER A 9 4.263 -2.098 -38.245 1.00 41.13 C ATOM 140 OG SER A 9 5.634 -1.747 -38.392 1.00 71.41 O ATOM 0 H SER A 9 4.419 0.781 -38.145 1.00 74.21 H new ATOM 0 HA SER A 9 2.418 -1.280 -37.481 1.00 50.34 H new ATOM 0 HB2 SER A 9 4.184 -3.029 -37.683 1.00 41.13 H new ATOM 0 HB3 SER A 9 3.826 -2.280 -39.227 1.00 41.13 H new ATOM 0 HG SER A 9 5.896 -1.141 -37.668 1.00 71.41 H new ATOM 146 N HIS A 10 3.150 -1.215 -35.118 1.00 23.02 N ATOM 147 CA HIS A 10 3.533 -1.184 -33.702 1.00 44.20 C ATOM 148 C HIS A 10 2.720 -2.210 -32.894 1.00 21.55 C ATOM 149 O HIS A 10 1.545 -2.447 -33.186 1.00 34.23 O ATOM 150 CB HIS A 10 3.336 0.222 -33.114 1.00 32.11 C ATOM 151 CG HIS A 10 3.916 0.380 -31.737 1.00 61.13 C ATOM 152 ND1 HIS A 10 3.223 0.077 -30.584 1.00 63.30 N ATOM 153 CD2 HIS A 10 5.139 0.801 -31.330 1.00 41.02 C ATOM 154 CE1 HIS A 10 3.988 0.305 -29.536 1.00 35.40 C ATOM 155 NE2 HIS A 10 5.153 0.742 -29.959 1.00 13.10 N ATOM 0 H HIS A 10 2.201 -1.548 -35.286 1.00 23.02 H new ATOM 0 HA HIS A 10 4.589 -1.445 -33.636 1.00 44.20 H new ATOM 0 HB2 HIS A 10 3.795 0.953 -33.779 1.00 32.11 H new ATOM 0 HB3 HIS A 10 2.270 0.447 -33.079 1.00 32.11 H new ATOM 0 HD2 HIS A 10 5.950 1.123 -31.966 1.00 41.02 H new ATOM 0 HE1 HIS A 10 3.706 0.158 -28.504 1.00 35.40 H new ATOM 0 HE2 HIS A 10 5.941 0.997 -29.364 1.00 13.10 H new ATOM 164 N MET A 11 3.349 -2.802 -31.879 1.00 74.42 N ATOM 165 CA MET A 11 2.714 -3.851 -31.065 1.00 21.11 C ATOM 166 C MET A 11 2.488 -3.394 -29.607 1.00 43.10 C ATOM 167 O MET A 11 3.272 -2.619 -29.058 1.00 34.21 O ATOM 168 CB MET A 11 3.595 -5.111 -31.092 1.00 51.53 C ATOM 169 CG MET A 11 3.031 -6.293 -30.317 1.00 64.21 C ATOM 170 SD MET A 11 4.110 -7.740 -30.373 1.00 14.22 S ATOM 171 CE MET A 11 5.585 -7.104 -29.575 1.00 20.43 C ATOM 0 H MET A 11 4.302 -2.575 -31.596 1.00 74.42 H new ATOM 0 HA MET A 11 1.734 -4.067 -31.491 1.00 21.11 H new ATOM 0 HB2 MET A 11 3.746 -5.411 -32.129 1.00 51.53 H new ATOM 0 HB3 MET A 11 4.576 -4.862 -30.687 1.00 51.53 H new ATOM 0 HG2 MET A 11 2.875 -6.001 -29.279 1.00 64.21 H new ATOM 0 HG3 MET A 11 2.055 -6.557 -30.724 1.00 64.21 H new ATOM 0 HE1 MET A 11 6.183 -7.935 -29.201 1.00 20.43 H new ATOM 0 HE2 MET A 11 6.170 -6.531 -30.295 1.00 20.43 H new ATOM 0 HE3 MET A 11 5.300 -6.459 -28.744 1.00 20.43 H new ATOM 181 N SER A 12 1.406 -3.877 -28.990 1.00 4.04 N ATOM 182 CA SER A 12 1.118 -3.598 -27.571 1.00 24.52 C ATOM 183 C SER A 12 0.667 -4.871 -26.840 1.00 41.05 C ATOM 184 O SER A 12 -0.508 -5.242 -26.874 1.00 15.21 O ATOM 185 CB SER A 12 0.038 -2.515 -27.432 1.00 75.21 C ATOM 186 OG SER A 12 -0.241 -2.238 -26.066 1.00 23.34 O ATOM 0 H SER A 12 0.710 -4.465 -29.448 1.00 4.04 H new ATOM 0 HA SER A 12 2.040 -3.238 -27.116 1.00 24.52 H new ATOM 0 HB2 SER A 12 0.367 -1.603 -27.930 1.00 75.21 H new ATOM 0 HB3 SER A 12 -0.874 -2.841 -27.933 1.00 75.21 H new ATOM 0 HG SER A 12 -0.931 -1.544 -26.007 1.00 23.34 H new ATOM 192 N THR A 13 1.612 -5.550 -26.198 1.00 50.35 N ATOM 193 CA THR A 13 1.330 -6.801 -25.476 1.00 11.11 C ATOM 194 C THR A 13 1.658 -6.684 -23.979 1.00 34.34 C ATOM 195 O THR A 13 2.822 -6.556 -23.596 1.00 2.45 O ATOM 196 CB THR A 13 2.131 -7.992 -26.069 1.00 73.30 C ATOM 197 OG1 THR A 13 3.537 -7.691 -26.081 1.00 12.41 O ATOM 198 CG2 THR A 13 1.666 -8.319 -27.486 1.00 70.24 C ATOM 0 H THR A 13 2.589 -5.258 -26.159 1.00 50.35 H new ATOM 0 HA THR A 13 0.262 -6.986 -25.594 1.00 11.11 H new ATOM 0 HB THR A 13 1.951 -8.861 -25.436 1.00 73.30 H new ATOM 0 HG1 THR A 13 3.749 -7.090 -25.337 1.00 12.41 H new ATOM 0 HG21 THR A 13 2.245 -9.157 -27.875 1.00 70.24 H new ATOM 0 HG22 THR A 13 0.609 -8.585 -27.470 1.00 70.24 H new ATOM 0 HG23 THR A 13 1.812 -7.449 -28.127 1.00 70.24 H new ATOM 206 N PRO A 14 0.633 -6.724 -23.105 1.00 34.13 N ATOM 207 CA PRO A 14 0.837 -6.681 -21.648 1.00 23.22 C ATOM 208 C PRO A 14 1.409 -8.002 -21.095 1.00 13.24 C ATOM 209 O PRO A 14 0.824 -9.075 -21.282 1.00 2.02 O ATOM 210 CB PRO A 14 -0.576 -6.423 -21.104 1.00 42.22 C ATOM 211 CG PRO A 14 -1.486 -7.009 -22.132 1.00 64.22 C ATOM 212 CD PRO A 14 -0.802 -6.803 -23.460 1.00 22.32 C ATOM 0 HA PRO A 14 1.563 -5.923 -21.355 1.00 23.22 H new ATOM 0 HB2 PRO A 14 -0.719 -6.895 -20.132 1.00 42.22 H new ATOM 0 HB3 PRO A 14 -0.762 -5.357 -20.971 1.00 42.22 H new ATOM 0 HG2 PRO A 14 -1.658 -8.068 -21.942 1.00 64.22 H new ATOM 0 HG3 PRO A 14 -2.460 -6.520 -22.115 1.00 64.22 H new ATOM 0 HD2 PRO A 14 -1.001 -7.627 -24.145 1.00 22.32 H new ATOM 0 HD3 PRO A 14 -1.144 -5.892 -23.950 1.00 22.32 H new ATOM 220 N LEU A 15 2.553 -7.923 -20.417 1.00 15.24 N ATOM 221 CA LEU A 15 3.224 -9.117 -19.887 1.00 22.14 C ATOM 222 C LEU A 15 2.670 -9.528 -18.511 1.00 12.23 C ATOM 223 O LEU A 15 1.894 -8.798 -17.891 1.00 53.03 O ATOM 224 CB LEU A 15 4.753 -8.897 -19.830 1.00 13.24 C ATOM 225 CG LEU A 15 5.244 -7.589 -19.168 1.00 1.24 C ATOM 226 CD1 LEU A 15 5.012 -7.588 -17.654 1.00 50.52 C ATOM 227 CD2 LEU A 15 6.722 -7.359 -19.482 1.00 54.11 C ATOM 0 H LEU A 15 3.037 -7.047 -20.220 1.00 15.24 H new ATOM 0 HA LEU A 15 3.018 -9.941 -20.570 1.00 22.14 H new ATOM 0 HB2 LEU A 15 5.197 -9.736 -19.295 1.00 13.24 H new ATOM 0 HB3 LEU A 15 5.139 -8.928 -20.849 1.00 13.24 H new ATOM 0 HG LEU A 15 4.658 -6.771 -19.586 1.00 1.24 H new ATOM 0 HD11 LEU A 15 5.372 -6.650 -17.231 1.00 50.52 H new ATOM 0 HD12 LEU A 15 3.947 -7.693 -17.449 1.00 50.52 H new ATOM 0 HD13 LEU A 15 5.552 -8.420 -17.203 1.00 50.52 H new ATOM 0 HD21 LEU A 15 7.055 -6.435 -19.010 1.00 54.11 H new ATOM 0 HD22 LEU A 15 7.309 -8.194 -19.100 1.00 54.11 H new ATOM 0 HD23 LEU A 15 6.857 -7.284 -20.561 1.00 54.11 H new ATOM 239 N THR A 16 3.075 -10.705 -18.039 1.00 11.24 N ATOM 240 CA THR A 16 2.621 -11.232 -16.743 1.00 53.21 C ATOM 241 C THR A 16 3.751 -11.251 -15.707 1.00 11.33 C ATOM 242 O THR A 16 4.930 -11.169 -16.051 1.00 53.03 O ATOM 243 CB THR A 16 2.054 -12.664 -16.884 1.00 2.13 C ATOM 244 OG1 THR A 16 3.043 -13.533 -17.462 1.00 43.11 O ATOM 245 CG2 THR A 16 0.792 -12.669 -17.746 1.00 11.11 C ATOM 0 H THR A 16 3.721 -11.319 -18.535 1.00 11.24 H new ATOM 0 HA THR A 16 1.834 -10.560 -16.400 1.00 53.21 H new ATOM 0 HB THR A 16 1.794 -13.026 -15.889 1.00 2.13 H new ATOM 0 HG1 THR A 16 2.675 -14.437 -17.546 1.00 43.11 H new ATOM 0 HG21 THR A 16 0.413 -13.687 -17.830 1.00 11.11 H new ATOM 0 HG22 THR A 16 0.034 -12.036 -17.285 1.00 11.11 H new ATOM 0 HG23 THR A 16 1.028 -12.287 -18.739 1.00 11.11 H new ATOM 253 N GLY A 17 3.377 -11.366 -14.434 1.00 1.41 N ATOM 254 CA GLY A 17 4.357 -11.402 -13.351 1.00 74.24 C ATOM 255 C GLY A 17 3.851 -10.724 -12.081 1.00 25.25 C ATOM 256 O GLY A 17 3.214 -9.667 -12.146 1.00 62.41 O ATOM 0 H GLY A 17 2.406 -11.436 -14.128 1.00 1.41 H new ATOM 0 HA2 GLY A 17 4.610 -12.439 -13.129 1.00 74.24 H new ATOM 0 HA3 GLY A 17 5.274 -10.913 -13.679 1.00 74.24 H new ATOM 260 N LYS A 18 4.137 -11.318 -10.923 1.00 23.44 N ATOM 261 CA LYS A 18 3.675 -10.770 -9.640 1.00 12.13 C ATOM 262 C LYS A 18 4.737 -10.925 -8.533 1.00 62.12 C ATOM 263 O LYS A 18 4.790 -11.941 -7.837 1.00 12.43 O ATOM 264 CB LYS A 18 2.347 -11.435 -9.221 1.00 12.50 C ATOM 265 CG LYS A 18 2.362 -12.963 -9.290 1.00 74.14 C ATOM 266 CD LYS A 18 1.041 -13.575 -8.818 1.00 63.13 C ATOM 267 CE LYS A 18 -0.147 -13.076 -9.635 1.00 41.31 C ATOM 268 NZ LYS A 18 -1.418 -13.726 -9.223 1.00 14.35 N ATOM 0 H LYS A 18 4.684 -12.175 -10.843 1.00 23.44 H new ATOM 0 HA LYS A 18 3.507 -9.702 -9.778 1.00 12.13 H new ATOM 0 HB2 LYS A 18 2.107 -11.131 -8.202 1.00 12.50 H new ATOM 0 HB3 LYS A 18 1.548 -11.061 -9.862 1.00 12.50 H new ATOM 0 HG2 LYS A 18 2.560 -13.277 -10.315 1.00 74.14 H new ATOM 0 HG3 LYS A 18 3.178 -13.345 -8.676 1.00 74.14 H new ATOM 0 HD2 LYS A 18 1.099 -14.661 -8.890 1.00 63.13 H new ATOM 0 HD3 LYS A 18 0.885 -13.333 -7.767 1.00 63.13 H new ATOM 0 HE2 LYS A 18 -0.238 -11.996 -9.520 1.00 41.31 H new ATOM 0 HE3 LYS A 18 0.033 -13.270 -10.692 1.00 41.31 H new ATOM 0 HZ1 LYS A 18 -2.200 -13.359 -9.803 1.00 14.35 H new ATOM 0 HZ2 LYS A 18 -1.341 -14.754 -9.357 1.00 14.35 H new ATOM 0 HZ3 LYS A 18 -1.604 -13.520 -8.221 1.00 14.35 H new ATOM 282 N PRO A 19 5.623 -9.920 -8.376 1.00 51.21 N ATOM 283 CA PRO A 19 6.632 -9.910 -7.309 1.00 62.11 C ATOM 284 C PRO A 19 6.089 -9.341 -5.982 1.00 74.44 C ATOM 285 O PRO A 19 5.588 -8.213 -5.933 1.00 43.22 O ATOM 286 CB PRO A 19 7.716 -8.997 -7.891 1.00 60.51 C ATOM 287 CG PRO A 19 6.968 -8.014 -8.736 1.00 63.44 C ATOM 288 CD PRO A 19 5.728 -8.724 -9.239 1.00 75.30 C ATOM 0 HA PRO A 19 6.978 -10.911 -7.052 1.00 62.11 H new ATOM 0 HB2 PRO A 19 8.277 -8.496 -7.103 1.00 60.51 H new ATOM 0 HB3 PRO A 19 8.435 -9.563 -8.484 1.00 60.51 H new ATOM 0 HG2 PRO A 19 6.699 -7.131 -8.156 1.00 63.44 H new ATOM 0 HG3 PRO A 19 7.583 -7.673 -9.569 1.00 63.44 H new ATOM 0 HD2 PRO A 19 4.844 -8.092 -9.154 1.00 75.30 H new ATOM 0 HD3 PRO A 19 5.824 -8.998 -10.290 1.00 75.30 H new ATOM 296 N GLY A 20 6.183 -10.126 -4.908 1.00 62.40 N ATOM 297 CA GLY A 20 5.711 -9.673 -3.604 1.00 55.11 C ATOM 298 C GLY A 20 6.661 -8.675 -2.950 1.00 61.11 C ATOM 299 O GLY A 20 7.338 -8.997 -1.971 1.00 73.14 O ATOM 0 H GLY A 20 6.577 -11.067 -4.916 1.00 62.40 H new ATOM 0 HA2 GLY A 20 4.729 -9.214 -3.717 1.00 55.11 H new ATOM 0 HA3 GLY A 20 5.587 -10.534 -2.948 1.00 55.11 H new ATOM 303 N ALA A 21 6.710 -7.459 -3.487 1.00 22.42 N ATOM 304 CA ALA A 21 7.607 -6.418 -2.971 1.00 3.13 C ATOM 305 C ALA A 21 6.944 -5.029 -2.979 1.00 73.45 C ATOM 306 O ALA A 21 5.825 -4.860 -3.479 1.00 41.02 O ATOM 307 CB ALA A 21 8.896 -6.392 -3.790 1.00 2.03 C ATOM 0 H ALA A 21 6.140 -7.166 -4.280 1.00 22.42 H new ATOM 0 HA ALA A 21 7.837 -6.662 -1.934 1.00 3.13 H new ATOM 0 HB1 ALA A 21 9.558 -5.617 -3.402 1.00 2.03 H new ATOM 0 HB2 ALA A 21 9.391 -7.361 -3.720 1.00 2.03 H new ATOM 0 HB3 ALA A 21 8.660 -6.179 -4.833 1.00 2.03 H new ATOM 313 N LEU A 22 7.642 -4.043 -2.409 1.00 74.34 N ATOM 314 CA LEU A 22 7.168 -2.647 -2.373 1.00 40.21 C ATOM 315 C LEU A 22 8.259 -1.674 -2.857 1.00 4.31 C ATOM 316 O LEU A 22 9.448 -1.883 -2.596 1.00 74.02 O ATOM 317 CB LEU A 22 6.762 -2.244 -0.944 1.00 61.22 C ATOM 318 CG LEU A 22 5.606 -3.032 -0.312 1.00 33.15 C ATOM 319 CD1 LEU A 22 5.329 -2.525 1.102 1.00 43.30 C ATOM 320 CD2 LEU A 22 4.346 -2.943 -1.171 1.00 4.03 C ATOM 0 H LEU A 22 8.547 -4.183 -1.960 1.00 74.34 H new ATOM 0 HA LEU A 22 6.306 -2.587 -3.037 1.00 40.21 H new ATOM 0 HB2 LEU A 22 7.636 -2.345 -0.300 1.00 61.22 H new ATOM 0 HB3 LEU A 22 6.491 -1.188 -0.951 1.00 61.22 H new ATOM 0 HG LEU A 22 5.900 -4.080 -0.256 1.00 33.15 H new ATOM 0 HD11 LEU A 22 4.507 -3.093 1.538 1.00 43.30 H new ATOM 0 HD12 LEU A 22 6.222 -2.650 1.715 1.00 43.30 H new ATOM 0 HD13 LEU A 22 5.060 -1.469 1.064 1.00 43.30 H new ATOM 0 HD21 LEU A 22 3.543 -3.510 -0.700 1.00 4.03 H new ATOM 0 HD22 LEU A 22 4.045 -1.900 -1.268 1.00 4.03 H new ATOM 0 HD23 LEU A 22 4.550 -3.355 -2.159 1.00 4.03 H new ATOM 332 N PRO A 23 7.874 -0.595 -3.569 1.00 35.45 N ATOM 333 CA PRO A 23 8.805 0.496 -3.906 1.00 32.53 C ATOM 334 C PRO A 23 9.189 1.323 -2.664 1.00 53.45 C ATOM 335 O PRO A 23 8.407 1.438 -1.719 1.00 74.23 O ATOM 336 CB PRO A 23 8.012 1.345 -4.912 1.00 3.13 C ATOM 337 CG PRO A 23 6.578 1.063 -4.607 1.00 35.44 C ATOM 338 CD PRO A 23 6.522 -0.362 -4.119 1.00 33.41 C ATOM 0 HA PRO A 23 9.750 0.129 -4.306 1.00 32.53 H new ATOM 0 HB2 PRO A 23 8.239 2.405 -4.799 1.00 3.13 H new ATOM 0 HB3 PRO A 23 8.258 1.074 -5.939 1.00 3.13 H new ATOM 0 HG2 PRO A 23 6.199 1.749 -3.849 1.00 35.44 H new ATOM 0 HG3 PRO A 23 5.958 1.195 -5.494 1.00 35.44 H new ATOM 0 HD2 PRO A 23 5.752 -0.496 -3.359 1.00 33.41 H new ATOM 0 HD3 PRO A 23 6.294 -1.055 -4.929 1.00 33.41 H new ATOM 346 N ALA A 24 10.395 1.892 -2.663 1.00 74.02 N ATOM 347 CA ALA A 24 10.883 2.664 -1.511 1.00 63.22 C ATOM 348 C ALA A 24 10.085 3.961 -1.307 1.00 50.35 C ATOM 349 O ALA A 24 9.789 4.355 -0.174 1.00 73.42 O ATOM 350 CB ALA A 24 12.366 2.978 -1.678 1.00 5.23 C ATOM 0 H ALA A 24 11.052 1.836 -3.441 1.00 74.02 H new ATOM 0 HA ALA A 24 10.741 2.050 -0.622 1.00 63.22 H new ATOM 0 HB1 ALA A 24 12.716 3.550 -0.819 1.00 5.23 H new ATOM 0 HB2 ALA A 24 12.929 2.047 -1.748 1.00 5.23 H new ATOM 0 HB3 ALA A 24 12.514 3.561 -2.587 1.00 5.23 H new ATOM 356 N ASN A 25 9.740 4.626 -2.405 1.00 71.52 N ATOM 357 CA ASN A 25 9.003 5.893 -2.340 1.00 75.34 C ATOM 358 C ASN A 25 7.484 5.675 -2.424 1.00 63.43 C ATOM 359 O ASN A 25 6.852 5.979 -3.438 1.00 62.33 O ATOM 360 CB ASN A 25 9.456 6.841 -3.455 1.00 52.32 C ATOM 361 CG ASN A 25 10.934 7.181 -3.377 1.00 15.44 C ATOM 362 OD1 ASN A 25 11.766 6.338 -3.051 1.00 61.32 O ATOM 363 ND2 ASN A 25 11.274 8.426 -3.638 1.00 53.34 N ATOM 0 H ASN A 25 9.956 4.313 -3.351 1.00 71.52 H new ATOM 0 HA ASN A 25 9.226 6.345 -1.373 1.00 75.34 H new ATOM 0 HB2 ASN A 25 9.244 6.384 -4.422 1.00 52.32 H new ATOM 0 HB3 ASN A 25 8.873 7.761 -3.402 1.00 52.32 H new ATOM 0 HD21 ASN A 25 12.251 8.713 -3.572 1.00 53.34 H new ATOM 0 HD22 ASN A 25 10.561 9.104 -3.906 1.00 53.34 H new ATOM 370 N LEU A 26 6.903 5.149 -1.349 1.00 25.33 N ATOM 371 CA LEU A 26 5.459 4.908 -1.287 1.00 54.34 C ATOM 372 C LEU A 26 4.670 6.219 -1.156 1.00 71.14 C ATOM 373 O LEU A 26 3.564 6.342 -1.680 1.00 65.44 O ATOM 374 CB LEU A 26 5.123 3.964 -0.123 1.00 71.41 C ATOM 375 CG LEU A 26 5.612 2.514 -0.295 1.00 10.22 C ATOM 376 CD1 LEU A 26 5.363 1.699 0.971 1.00 65.55 C ATOM 377 CD2 LEU A 26 4.935 1.856 -1.496 1.00 44.54 C ATOM 0 H LEU A 26 7.409 4.880 -0.505 1.00 25.33 H new ATOM 0 HA LEU A 26 5.163 4.436 -2.224 1.00 54.34 H new ATOM 0 HB2 LEU A 26 5.556 4.371 0.791 1.00 71.41 H new ATOM 0 HB3 LEU A 26 4.042 3.952 0.014 1.00 71.41 H new ATOM 0 HG LEU A 26 6.687 2.541 -0.475 1.00 10.22 H new ATOM 0 HD11 LEU A 26 5.717 0.679 0.823 1.00 65.55 H new ATOM 0 HD12 LEU A 26 5.898 2.151 1.806 1.00 65.55 H new ATOM 0 HD13 LEU A 26 4.295 1.684 1.190 1.00 65.55 H new ATOM 0 HD21 LEU A 26 5.294 0.832 -1.600 1.00 44.54 H new ATOM 0 HD22 LEU A 26 3.855 1.848 -1.346 1.00 44.54 H new ATOM 0 HD23 LEU A 26 5.172 2.417 -2.400 1.00 44.54 H new ATOM 389 N ASP A 27 5.241 7.205 -0.463 1.00 32.24 N ATOM 390 CA ASP A 27 4.579 8.505 -0.308 1.00 11.54 C ATOM 391 C ASP A 27 4.610 9.311 -1.618 1.00 10.21 C ATOM 392 O ASP A 27 3.766 10.179 -1.844 1.00 64.43 O ATOM 393 CB ASP A 27 5.218 9.313 0.825 1.00 11.50 C ATOM 394 CG ASP A 27 4.468 10.612 1.081 1.00 42.04 C ATOM 395 OD1 ASP A 27 3.309 10.552 1.545 1.00 4.41 O ATOM 396 OD2 ASP A 27 5.015 11.697 0.796 1.00 51.24 O ATOM 0 H ASP A 27 6.149 7.133 -0.004 1.00 32.24 H new ATOM 0 HA ASP A 27 3.537 8.311 -0.053 1.00 11.54 H new ATOM 0 HB2 ASP A 27 5.232 8.715 1.736 1.00 11.50 H new ATOM 0 HB3 ASP A 27 6.255 9.535 0.574 1.00 11.50 H new ATOM 401 N ASP A 28 5.592 9.031 -2.474 1.00 21.11 N ATOM 402 CA ASP A 28 5.660 9.662 -3.799 1.00 74.02 C ATOM 403 C ASP A 28 4.619 9.062 -4.757 1.00 50.21 C ATOM 404 O ASP A 28 4.324 9.633 -5.810 1.00 43.11 O ATOM 405 CB ASP A 28 7.069 9.527 -4.386 1.00 31.34 C ATOM 406 CG ASP A 28 8.071 10.400 -3.653 1.00 13.34 C ATOM 407 OD1 ASP A 28 8.108 11.618 -3.921 1.00 12.41 O ATOM 408 OD2 ASP A 28 8.818 9.883 -2.801 1.00 33.42 O ATOM 0 H ASP A 28 6.349 8.376 -2.279 1.00 21.11 H new ATOM 0 HA ASP A 28 5.432 10.721 -3.677 1.00 74.02 H new ATOM 0 HB2 ASP A 28 7.387 8.486 -4.333 1.00 31.34 H new ATOM 0 HB3 ASP A 28 7.051 9.801 -5.441 1.00 31.34 H new ATOM 413 N MET A 29 4.066 7.909 -4.387 1.00 54.32 N ATOM 414 CA MET A 29 2.996 7.278 -5.163 1.00 61.42 C ATOM 415 C MET A 29 1.634 7.906 -4.832 1.00 52.24 C ATOM 416 O MET A 29 1.325 8.178 -3.668 1.00 13.14 O ATOM 417 CB MET A 29 2.957 5.766 -4.895 1.00 52.30 C ATOM 418 CG MET A 29 4.248 5.043 -5.259 1.00 65.21 C ATOM 419 SD MET A 29 4.174 3.274 -4.913 1.00 51.34 S ATOM 420 CE MET A 29 2.836 2.764 -5.988 1.00 62.13 C ATOM 0 H MET A 29 4.341 7.390 -3.553 1.00 54.32 H new ATOM 0 HA MET A 29 3.205 7.444 -6.220 1.00 61.42 H new ATOM 0 HB2 MET A 29 2.743 5.599 -3.839 1.00 52.30 H new ATOM 0 HB3 MET A 29 2.134 5.327 -5.460 1.00 52.30 H new ATOM 0 HG2 MET A 29 4.458 5.194 -6.318 1.00 65.21 H new ATOM 0 HG3 MET A 29 5.076 5.484 -4.704 1.00 65.21 H new ATOM 0 HE1 MET A 29 2.938 1.704 -6.218 1.00 62.13 H new ATOM 0 HE2 MET A 29 1.882 2.937 -5.489 1.00 62.13 H new ATOM 0 HE3 MET A 29 2.872 3.341 -6.912 1.00 62.13 H new ATOM 430 N LYS A 30 0.827 8.139 -5.862 1.00 22.52 N ATOM 431 CA LYS A 30 -0.503 8.735 -5.693 1.00 14.23 C ATOM 432 C LYS A 30 -1.451 7.786 -4.934 1.00 22.12 C ATOM 433 O LYS A 30 -1.263 6.568 -4.946 1.00 42.21 O ATOM 434 CB LYS A 30 -1.091 9.092 -7.067 1.00 43.20 C ATOM 435 CG LYS A 30 -0.289 10.150 -7.823 1.00 21.02 C ATOM 436 CD LYS A 30 -0.837 10.392 -9.229 1.00 43.43 C ATOM 437 CE LYS A 30 -0.608 9.193 -10.145 1.00 63.55 C ATOM 438 NZ LYS A 30 -1.252 9.375 -11.474 1.00 74.41 N ATOM 0 H LYS A 30 1.068 7.924 -6.830 1.00 22.52 H new ATOM 0 HA LYS A 30 -0.398 9.643 -5.099 1.00 14.23 H new ATOM 0 HB2 LYS A 30 -1.147 8.189 -7.674 1.00 43.20 H new ATOM 0 HB3 LYS A 30 -2.112 9.450 -6.933 1.00 43.20 H new ATOM 0 HG2 LYS A 30 -0.305 11.085 -7.263 1.00 21.02 H new ATOM 0 HG3 LYS A 30 0.753 9.836 -7.890 1.00 21.02 H new ATOM 0 HD2 LYS A 30 -1.904 10.605 -9.171 1.00 43.43 H new ATOM 0 HD3 LYS A 30 -0.359 11.273 -9.658 1.00 43.43 H new ATOM 0 HE2 LYS A 30 0.463 9.039 -10.279 1.00 63.55 H new ATOM 0 HE3 LYS A 30 -1.003 8.294 -9.671 1.00 63.55 H new ATOM 0 HZ1 LYS A 30 -1.072 8.538 -12.065 1.00 74.41 H new ATOM 0 HZ2 LYS A 30 -2.277 9.497 -11.349 1.00 74.41 H new ATOM 0 HZ3 LYS A 30 -0.858 10.218 -11.938 1.00 74.41 H new ATOM 452 N VAL A 31 -2.471 8.349 -4.282 1.00 73.24 N ATOM 453 CA VAL A 31 -3.418 7.557 -3.478 1.00 32.23 C ATOM 454 C VAL A 31 -4.042 6.408 -4.290 1.00 20.41 C ATOM 455 O VAL A 31 -4.171 5.284 -3.799 1.00 21.33 O ATOM 456 CB VAL A 31 -4.546 8.450 -2.895 1.00 14.25 C ATOM 457 CG1 VAL A 31 -5.558 7.618 -2.103 1.00 5.43 C ATOM 458 CG2 VAL A 31 -3.955 9.552 -2.018 1.00 50.32 C ATOM 0 H VAL A 31 -2.666 9.350 -4.292 1.00 73.24 H new ATOM 0 HA VAL A 31 -2.843 7.127 -2.658 1.00 32.23 H new ATOM 0 HB VAL A 31 -5.073 8.913 -3.729 1.00 14.25 H new ATOM 0 HG11 VAL A 31 -6.336 8.271 -1.707 1.00 5.43 H new ATOM 0 HG12 VAL A 31 -6.009 6.873 -2.758 1.00 5.43 H new ATOM 0 HG13 VAL A 31 -5.051 7.117 -1.279 1.00 5.43 H new ATOM 0 HG21 VAL A 31 -4.759 10.169 -1.617 1.00 50.32 H new ATOM 0 HG22 VAL A 31 -3.398 9.103 -1.196 1.00 50.32 H new ATOM 0 HG23 VAL A 31 -3.285 10.172 -2.614 1.00 50.32 H new ATOM 468 N ALA A 32 -4.417 6.693 -5.538 1.00 73.01 N ATOM 469 CA ALA A 32 -4.979 5.676 -6.435 1.00 34.25 C ATOM 470 C ALA A 32 -3.963 4.560 -6.735 1.00 64.42 C ATOM 471 O ALA A 32 -4.337 3.395 -6.915 1.00 64.15 O ATOM 472 CB ALA A 32 -5.458 6.323 -7.729 1.00 74.51 C ATOM 0 H ALA A 32 -4.342 7.622 -5.954 1.00 73.01 H new ATOM 0 HA ALA A 32 -5.830 5.218 -5.930 1.00 34.25 H new ATOM 0 HB1 ALA A 32 -5.873 5.559 -8.386 1.00 74.51 H new ATOM 0 HB2 ALA A 32 -6.226 7.063 -7.503 1.00 74.51 H new ATOM 0 HB3 ALA A 32 -4.618 6.811 -8.224 1.00 74.51 H new ATOM 478 N GLU A 33 -2.681 4.921 -6.786 1.00 65.40 N ATOM 479 CA GLU A 33 -1.608 3.945 -7.009 1.00 10.12 C ATOM 480 C GLU A 33 -1.436 3.041 -5.782 1.00 21.31 C ATOM 481 O GLU A 33 -1.368 1.819 -5.902 1.00 22.02 O ATOM 482 CB GLU A 33 -0.282 4.655 -7.325 1.00 61.21 C ATOM 483 CG GLU A 33 -0.349 5.595 -8.525 1.00 20.41 C ATOM 484 CD GLU A 33 -0.850 4.915 -9.791 1.00 11.11 C ATOM 485 OE1 GLU A 33 -0.230 3.920 -10.227 1.00 34.50 O ATOM 486 OE2 GLU A 33 -1.871 5.367 -10.352 1.00 42.23 O ATOM 0 H GLU A 33 -2.357 5.882 -6.676 1.00 65.40 H new ATOM 0 HA GLU A 33 -1.887 3.329 -7.864 1.00 10.12 H new ATOM 0 HB2 GLU A 33 0.031 5.223 -6.449 1.00 61.21 H new ATOM 0 HB3 GLU A 33 0.486 3.903 -7.508 1.00 61.21 H new ATOM 0 HG2 GLU A 33 -1.004 6.433 -8.286 1.00 20.41 H new ATOM 0 HG3 GLU A 33 0.642 6.009 -8.710 1.00 20.41 H new ATOM 493 N LEU A 34 -1.379 3.656 -4.600 1.00 1.11 N ATOM 494 CA LEU A 34 -1.298 2.915 -3.337 1.00 32.12 C ATOM 495 C LEU A 34 -2.486 1.949 -3.183 1.00 4.50 C ATOM 496 O LEU A 34 -2.313 0.782 -2.831 1.00 13.11 O ATOM 497 CB LEU A 34 -1.253 3.893 -2.150 1.00 24.01 C ATOM 498 CG LEU A 34 -0.025 4.821 -2.099 1.00 34.51 C ATOM 499 CD1 LEU A 34 -0.131 5.797 -0.928 1.00 61.24 C ATOM 500 CD2 LEU A 34 1.262 4.001 -2.005 1.00 2.33 C ATOM 0 H LEU A 34 -1.387 4.670 -4.489 1.00 1.11 H new ATOM 0 HA LEU A 34 -0.381 2.325 -3.349 1.00 32.12 H new ATOM 0 HB2 LEU A 34 -2.151 4.510 -2.176 1.00 24.01 H new ATOM 0 HB3 LEU A 34 -1.289 3.316 -1.226 1.00 24.01 H new ATOM 0 HG LEU A 34 0.004 5.401 -3.021 1.00 34.51 H new ATOM 0 HD11 LEU A 34 0.747 6.442 -0.912 1.00 61.24 H new ATOM 0 HD12 LEU A 34 -1.027 6.407 -1.042 1.00 61.24 H new ATOM 0 HD13 LEU A 34 -0.189 5.239 0.007 1.00 61.24 H new ATOM 0 HD21 LEU A 34 2.120 4.673 -1.970 1.00 2.33 H new ATOM 0 HD22 LEU A 34 1.240 3.392 -1.101 1.00 2.33 H new ATOM 0 HD23 LEU A 34 1.345 3.352 -2.877 1.00 2.33 H new ATOM 512 N LYS A 35 -3.694 2.443 -3.465 1.00 13.10 N ATOM 513 CA LYS A 35 -4.901 1.611 -3.410 1.00 4.33 C ATOM 514 C LYS A 35 -4.858 0.482 -4.455 1.00 74.23 C ATOM 515 O LYS A 35 -5.386 -0.609 -4.228 1.00 13.25 O ATOM 516 CB LYS A 35 -6.160 2.472 -3.606 1.00 33.43 C ATOM 517 CG LYS A 35 -6.400 3.473 -2.476 1.00 52.41 C ATOM 518 CD LYS A 35 -7.754 4.172 -2.600 1.00 32.31 C ATOM 519 CE LYS A 35 -7.872 4.982 -3.883 1.00 62.42 C ATOM 520 NZ LYS A 35 -9.198 5.643 -3.992 1.00 15.22 N ATOM 0 H LYS A 35 -3.863 3.412 -3.733 1.00 13.10 H new ATOM 0 HA LYS A 35 -4.938 1.151 -2.423 1.00 4.33 H new ATOM 0 HB2 LYS A 35 -6.076 3.014 -4.548 1.00 33.43 H new ATOM 0 HB3 LYS A 35 -7.028 1.818 -3.691 1.00 33.43 H new ATOM 0 HG2 LYS A 35 -6.347 2.956 -1.518 1.00 52.41 H new ATOM 0 HG3 LYS A 35 -5.606 4.220 -2.480 1.00 52.41 H new ATOM 0 HD2 LYS A 35 -8.549 3.427 -2.569 1.00 32.31 H new ATOM 0 HD3 LYS A 35 -7.900 4.830 -1.743 1.00 32.31 H new ATOM 0 HE2 LYS A 35 -7.085 5.736 -3.912 1.00 62.42 H new ATOM 0 HE3 LYS A 35 -7.719 4.329 -4.742 1.00 62.42 H new ATOM 0 HZ1 LYS A 35 -9.243 6.186 -4.878 1.00 15.22 H new ATOM 0 HZ2 LYS A 35 -9.947 4.921 -3.989 1.00 15.22 H new ATOM 0 HZ3 LYS A 35 -9.333 6.285 -3.185 1.00 15.22 H new ATOM 534 N GLN A 36 -4.226 0.744 -5.598 1.00 12.41 N ATOM 535 CA GLN A 36 -4.038 -0.288 -6.626 1.00 35.54 C ATOM 536 C GLN A 36 -3.108 -1.395 -6.099 1.00 23.22 C ATOM 537 O GLN A 36 -3.428 -2.584 -6.176 1.00 2.33 O ATOM 538 CB GLN A 36 -3.454 0.334 -7.906 1.00 34.33 C ATOM 539 CG GLN A 36 -3.452 -0.602 -9.117 1.00 30.30 C ATOM 540 CD GLN A 36 -4.852 -0.998 -9.564 1.00 45.41 C ATOM 541 OE1 GLN A 36 -5.815 -0.258 -9.379 1.00 31.54 O ATOM 542 NE2 GLN A 36 -4.975 -2.158 -10.175 1.00 71.51 N ATOM 0 H GLN A 36 -3.836 1.655 -5.838 1.00 12.41 H new ATOM 0 HA GLN A 36 -5.007 -0.727 -6.864 1.00 35.54 H new ATOM 0 HB2 GLN A 36 -4.025 1.229 -8.154 1.00 34.33 H new ATOM 0 HB3 GLN A 36 -2.431 0.653 -7.707 1.00 34.33 H new ATOM 0 HG2 GLN A 36 -2.936 -0.115 -9.945 1.00 30.30 H new ATOM 0 HG3 GLN A 36 -2.886 -1.501 -8.873 1.00 30.30 H new ATOM 0 HE21 GLN A 36 -4.156 -2.751 -10.314 1.00 71.51 H new ATOM 0 HE22 GLN A 36 -5.889 -2.464 -10.509 1.00 71.51 H new ATOM 551 N GLU A 37 -1.966 -0.983 -5.546 1.00 43.20 N ATOM 552 CA GLU A 37 -1.011 -1.904 -4.909 1.00 65.35 C ATOM 553 C GLU A 37 -1.686 -2.754 -3.817 1.00 70.12 C ATOM 554 O GLU A 37 -1.293 -3.897 -3.568 1.00 54.24 O ATOM 555 CB GLU A 37 0.157 -1.108 -4.300 1.00 14.13 C ATOM 556 CG GLU A 37 1.100 -0.489 -5.329 1.00 4.04 C ATOM 557 CD GLU A 37 1.930 -1.530 -6.074 1.00 3.42 C ATOM 558 OE1 GLU A 37 2.836 -2.126 -5.449 1.00 40.53 O ATOM 559 OE2 GLU A 37 1.686 -1.748 -7.282 1.00 11.20 O ATOM 0 H GLU A 37 -1.674 -0.006 -5.525 1.00 43.20 H new ATOM 0 HA GLU A 37 -0.636 -2.580 -5.678 1.00 65.35 H new ATOM 0 HB2 GLU A 37 -0.248 -0.314 -3.672 1.00 14.13 H new ATOM 0 HB3 GLU A 37 0.731 -1.768 -3.649 1.00 14.13 H new ATOM 0 HG2 GLU A 37 0.518 0.087 -6.048 1.00 4.04 H new ATOM 0 HG3 GLU A 37 1.769 0.211 -4.827 1.00 4.04 H new ATOM 566 N LEU A 38 -2.690 -2.179 -3.159 1.00 41.54 N ATOM 567 CA LEU A 38 -3.470 -2.895 -2.143 1.00 11.35 C ATOM 568 C LEU A 38 -4.396 -3.951 -2.769 1.00 71.23 C ATOM 569 O LEU A 38 -4.252 -5.150 -2.515 1.00 1.31 O ATOM 570 CB LEU A 38 -4.312 -1.907 -1.321 1.00 70.34 C ATOM 571 CG LEU A 38 -3.524 -0.971 -0.389 1.00 11.41 C ATOM 572 CD1 LEU A 38 -4.453 0.060 0.238 1.00 22.12 C ATOM 573 CD2 LEU A 38 -2.806 -1.764 0.701 1.00 73.41 C ATOM 0 H LEU A 38 -2.986 -1.215 -3.310 1.00 41.54 H new ATOM 0 HA LEU A 38 -2.759 -3.406 -1.494 1.00 11.35 H new ATOM 0 HB2 LEU A 38 -4.896 -1.296 -2.009 1.00 70.34 H new ATOM 0 HB3 LEU A 38 -5.021 -2.476 -0.719 1.00 70.34 H new ATOM 0 HG LEU A 38 -2.774 -0.453 -0.986 1.00 11.41 H new ATOM 0 HD11 LEU A 38 -3.880 0.715 0.895 1.00 22.12 H new ATOM 0 HD12 LEU A 38 -4.921 0.653 -0.547 1.00 22.12 H new ATOM 0 HD13 LEU A 38 -5.224 -0.449 0.816 1.00 22.12 H new ATOM 0 HD21 LEU A 38 -2.256 -1.079 1.347 1.00 73.41 H new ATOM 0 HD22 LEU A 38 -3.538 -2.313 1.294 1.00 73.41 H new ATOM 0 HD23 LEU A 38 -2.111 -2.467 0.242 1.00 73.41 H new ATOM 585 N LYS A 39 -5.336 -3.498 -3.598 1.00 10.24 N ATOM 586 CA LYS A 39 -6.382 -4.374 -4.146 1.00 63.35 C ATOM 587 C LYS A 39 -5.805 -5.554 -4.951 1.00 72.21 C ATOM 588 O LYS A 39 -6.363 -6.652 -4.929 1.00 43.43 O ATOM 589 CB LYS A 39 -7.366 -3.557 -4.999 1.00 0.43 C ATOM 590 CG LYS A 39 -6.742 -2.901 -6.226 1.00 20.31 C ATOM 591 CD LYS A 39 -7.706 -1.931 -6.909 1.00 60.11 C ATOM 592 CE LYS A 39 -9.010 -2.610 -7.318 1.00 52.01 C ATOM 593 NZ LYS A 39 -9.923 -1.679 -8.033 1.00 71.45 N ATOM 0 H LYS A 39 -5.398 -2.528 -3.908 1.00 10.24 H new ATOM 0 HA LYS A 39 -6.917 -4.807 -3.301 1.00 63.35 H new ATOM 0 HB2 LYS A 39 -8.176 -4.210 -5.324 1.00 0.43 H new ATOM 0 HB3 LYS A 39 -7.812 -2.782 -4.375 1.00 0.43 H new ATOM 0 HG2 LYS A 39 -5.838 -2.367 -5.932 1.00 20.31 H new ATOM 0 HG3 LYS A 39 -6.440 -3.672 -6.935 1.00 20.31 H new ATOM 0 HD2 LYS A 39 -7.925 -1.103 -6.235 1.00 60.11 H new ATOM 0 HD3 LYS A 39 -7.227 -1.506 -7.791 1.00 60.11 H new ATOM 0 HE2 LYS A 39 -8.789 -3.464 -7.958 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -9.510 -2.998 -6.431 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -10.796 -2.180 -8.293 1.00 71.45 H new ATOM 0 HZ2 LYS A 39 -10.156 -0.877 -7.413 1.00 71.45 H new ATOM 0 HZ3 LYS A 39 -9.456 -1.328 -8.894 1.00 71.45 H new ATOM 607 N LEU A 40 -4.685 -5.338 -5.647 1.00 41.32 N ATOM 608 CA LEU A 40 -4.029 -6.417 -6.409 1.00 12.22 C ATOM 609 C LEU A 40 -3.501 -7.529 -5.478 1.00 20.30 C ATOM 610 O LEU A 40 -3.300 -8.670 -5.897 1.00 14.34 O ATOM 611 CB LEU A 40 -2.882 -5.851 -7.260 1.00 43.22 C ATOM 612 CG LEU A 40 -3.299 -4.829 -8.334 1.00 34.11 C ATOM 613 CD1 LEU A 40 -2.076 -4.323 -9.101 1.00 40.40 C ATOM 614 CD2 LEU A 40 -4.326 -5.437 -9.289 1.00 35.05 C ATOM 0 H LEU A 40 -4.213 -4.435 -5.702 1.00 41.32 H new ATOM 0 HA LEU A 40 -4.778 -6.858 -7.067 1.00 12.22 H new ATOM 0 HB2 LEU A 40 -2.158 -5.380 -6.596 1.00 43.22 H new ATOM 0 HB3 LEU A 40 -2.372 -6.680 -7.750 1.00 43.22 H new ATOM 0 HG LEU A 40 -3.763 -3.978 -7.835 1.00 34.11 H new ATOM 0 HD11 LEU A 40 -2.392 -3.602 -9.855 1.00 40.40 H new ATOM 0 HD12 LEU A 40 -1.385 -3.844 -8.408 1.00 40.40 H new ATOM 0 HD13 LEU A 40 -1.579 -5.162 -9.587 1.00 40.40 H new ATOM 0 HD21 LEU A 40 -4.607 -4.698 -10.040 1.00 35.05 H new ATOM 0 HD22 LEU A 40 -3.894 -6.308 -9.781 1.00 35.05 H new ATOM 0 HD23 LEU A 40 -5.211 -5.739 -8.728 1.00 35.05 H new ATOM 626 N ARG A 41 -3.280 -7.179 -4.214 1.00 44.03 N ATOM 627 CA ARG A 41 -2.823 -8.136 -3.196 1.00 51.51 C ATOM 628 C ARG A 41 -3.929 -8.442 -2.168 1.00 52.00 C ATOM 629 O ARG A 41 -3.648 -8.787 -1.023 1.00 55.33 O ATOM 630 CB ARG A 41 -1.562 -7.595 -2.500 1.00 21.24 C ATOM 631 CG ARG A 41 -0.281 -7.827 -3.303 1.00 34.33 C ATOM 632 CD ARG A 41 0.924 -7.101 -2.707 1.00 71.22 C ATOM 633 NE ARG A 41 0.877 -5.661 -2.962 1.00 73.32 N ATOM 634 CZ ARG A 41 1.904 -4.944 -3.333 1.00 14.21 C ATOM 635 NH1 ARG A 41 3.083 -5.475 -3.440 1.00 75.22 N ATOM 636 NH2 ARG A 41 1.745 -3.690 -3.589 1.00 23.10 N ATOM 0 H ARG A 41 -3.410 -6.231 -3.862 1.00 44.03 H new ATOM 0 HA ARG A 41 -2.579 -9.074 -3.694 1.00 51.51 H new ATOM 0 HB2 ARG A 41 -1.683 -6.526 -2.323 1.00 21.24 H new ATOM 0 HB3 ARG A 41 -1.462 -8.070 -1.524 1.00 21.24 H new ATOM 0 HG2 ARG A 41 -0.072 -8.896 -3.346 1.00 34.33 H new ATOM 0 HG3 ARG A 41 -0.433 -7.490 -4.328 1.00 34.33 H new ATOM 0 HD2 ARG A 41 0.959 -7.278 -1.632 1.00 71.22 H new ATOM 0 HD3 ARG A 41 1.841 -7.514 -3.128 1.00 71.22 H new ATOM 0 HE ARG A 41 -0.017 -5.185 -2.842 1.00 73.32 H new ATOM 0 HH11 ARG A 41 3.217 -6.465 -3.233 1.00 75.22 H new ATOM 0 HH12 ARG A 41 3.876 -4.903 -3.731 1.00 75.22 H new ATOM 0 HH21 ARG A 41 0.822 -3.265 -3.501 1.00 23.10 H new ATOM 0 HH22 ARG A 41 2.542 -3.124 -3.879 1.00 23.10 H new ATOM 650 N SER A 42 -5.189 -8.309 -2.602 1.00 53.14 N ATOM 651 CA SER A 42 -6.366 -8.669 -1.783 1.00 15.11 C ATOM 652 C SER A 42 -6.589 -7.706 -0.603 1.00 44.31 C ATOM 653 O SER A 42 -7.486 -7.910 0.217 1.00 51.42 O ATOM 654 CB SER A 42 -6.252 -10.117 -1.269 1.00 74.05 C ATOM 655 OG SER A 42 -7.428 -10.523 -0.582 1.00 50.11 O ATOM 0 H SER A 42 -5.427 -7.950 -3.527 1.00 53.14 H new ATOM 0 HA SER A 42 -7.234 -8.584 -2.437 1.00 15.11 H new ATOM 0 HB2 SER A 42 -6.070 -10.788 -2.108 1.00 74.05 H new ATOM 0 HB3 SER A 42 -5.394 -10.200 -0.603 1.00 74.05 H new ATOM 0 HG SER A 42 -7.761 -9.780 -0.036 1.00 50.11 H new ATOM 661 N LEU A 43 -5.792 -6.644 -0.535 1.00 71.52 N ATOM 662 CA LEU A 43 -5.900 -5.660 0.546 1.00 4.12 C ATOM 663 C LEU A 43 -7.008 -4.627 0.260 1.00 53.23 C ATOM 664 O LEU A 43 -7.207 -4.217 -0.887 1.00 21.52 O ATOM 665 CB LEU A 43 -4.549 -4.955 0.734 1.00 44.24 C ATOM 666 CG LEU A 43 -3.400 -5.849 1.232 1.00 70.24 C ATOM 667 CD1 LEU A 43 -2.049 -5.164 1.034 1.00 1.03 C ATOM 668 CD2 LEU A 43 -3.609 -6.214 2.701 1.00 23.45 C ATOM 0 H LEU A 43 -5.061 -6.439 -1.216 1.00 71.52 H new ATOM 0 HA LEU A 43 -6.169 -6.184 1.463 1.00 4.12 H new ATOM 0 HB2 LEU A 43 -4.255 -4.511 -0.217 1.00 44.24 H new ATOM 0 HB3 LEU A 43 -4.681 -4.136 1.441 1.00 44.24 H new ATOM 0 HG LEU A 43 -3.401 -6.766 0.643 1.00 70.24 H new ATOM 0 HD11 LEU A 43 -1.254 -5.817 1.394 1.00 1.03 H new ATOM 0 HD12 LEU A 43 -1.897 -4.958 -0.026 1.00 1.03 H new ATOM 0 HD13 LEU A 43 -2.030 -4.228 1.592 1.00 1.03 H new ATOM 0 HD21 LEU A 43 -2.788 -6.847 3.039 1.00 23.45 H new ATOM 0 HD22 LEU A 43 -3.637 -5.305 3.301 1.00 23.45 H new ATOM 0 HD23 LEU A 43 -4.551 -6.751 2.812 1.00 23.45 H new ATOM 680 N PRO A 44 -7.754 -4.197 1.302 1.00 72.32 N ATOM 681 CA PRO A 44 -8.817 -3.186 1.151 1.00 2.12 C ATOM 682 C PRO A 44 -8.260 -1.784 0.854 1.00 21.31 C ATOM 683 O PRO A 44 -7.217 -1.391 1.380 1.00 31.22 O ATOM 684 CB PRO A 44 -9.530 -3.218 2.510 1.00 0.12 C ATOM 685 CG PRO A 44 -8.485 -3.680 3.464 1.00 2.12 C ATOM 686 CD PRO A 44 -7.632 -4.659 2.698 1.00 54.04 C ATOM 0 HA PRO A 44 -9.473 -3.404 0.308 1.00 2.12 H new ATOM 0 HB2 PRO A 44 -9.910 -2.234 2.783 1.00 0.12 H new ATOM 0 HB3 PRO A 44 -10.383 -3.896 2.496 1.00 0.12 H new ATOM 0 HG2 PRO A 44 -7.889 -2.842 3.827 1.00 2.12 H new ATOM 0 HG3 PRO A 44 -8.934 -4.153 4.337 1.00 2.12 H new ATOM 0 HD2 PRO A 44 -6.597 -4.642 3.038 1.00 54.04 H new ATOM 0 HD3 PRO A 44 -7.990 -5.682 2.816 1.00 54.04 H new ATOM 694 N VAL A 45 -8.971 -1.030 0.020 1.00 52.31 N ATOM 695 CA VAL A 45 -8.525 0.304 -0.401 1.00 71.31 C ATOM 696 C VAL A 45 -9.139 1.417 0.469 1.00 14.33 C ATOM 697 O VAL A 45 -9.117 2.599 0.107 1.00 2.01 O ATOM 698 CB VAL A 45 -8.868 0.550 -1.891 1.00 4.21 C ATOM 699 CG1 VAL A 45 -8.201 -0.503 -2.775 1.00 42.33 C ATOM 700 CG2 VAL A 45 -10.380 0.573 -2.118 1.00 14.32 C ATOM 0 H VAL A 45 -9.863 -1.318 -0.382 1.00 52.31 H new ATOM 0 HA VAL A 45 -7.443 0.336 -0.272 1.00 71.31 H new ATOM 0 HB VAL A 45 -8.479 1.530 -2.168 1.00 4.21 H new ATOM 0 HG11 VAL A 45 -8.453 -0.315 -3.819 1.00 42.33 H new ATOM 0 HG12 VAL A 45 -7.120 -0.453 -2.648 1.00 42.33 H new ATOM 0 HG13 VAL A 45 -8.554 -1.494 -2.490 1.00 42.33 H new ATOM 0 HG21 VAL A 45 -10.587 0.748 -3.174 1.00 14.32 H new ATOM 0 HG22 VAL A 45 -10.808 -0.384 -1.818 1.00 14.32 H new ATOM 0 HG23 VAL A 45 -10.825 1.371 -1.524 1.00 14.32 H new ATOM 710 N SER A 46 -9.670 1.033 1.628 1.00 51.24 N ATOM 711 CA SER A 46 -10.284 1.990 2.559 1.00 72.12 C ATOM 712 C SER A 46 -9.258 2.533 3.564 1.00 24.41 C ATOM 713 O SER A 46 -9.056 1.956 4.636 1.00 22.12 O ATOM 714 CB SER A 46 -11.456 1.339 3.313 1.00 54.31 C ATOM 715 OG SER A 46 -12.114 2.278 4.151 1.00 20.12 O ATOM 0 H SER A 46 -9.690 0.065 1.949 1.00 51.24 H new ATOM 0 HA SER A 46 -10.659 2.825 1.967 1.00 72.12 H new ATOM 0 HB2 SER A 46 -12.167 0.926 2.598 1.00 54.31 H new ATOM 0 HB3 SER A 46 -11.088 0.507 3.914 1.00 54.31 H new ATOM 0 HG SER A 46 -12.855 1.838 4.617 1.00 20.12 H new ATOM 721 N GLY A 47 -8.592 3.630 3.202 1.00 51.10 N ATOM 722 CA GLY A 47 -7.616 4.240 4.100 1.00 23.13 C ATOM 723 C GLY A 47 -7.074 5.580 3.605 1.00 62.12 C ATOM 724 O GLY A 47 -7.385 6.024 2.498 1.00 51.52 O ATOM 0 H GLY A 47 -8.709 4.107 2.308 1.00 51.10 H new ATOM 0 HA2 GLY A 47 -8.076 4.384 5.078 1.00 23.13 H new ATOM 0 HA3 GLY A 47 -6.783 3.551 4.238 1.00 23.13 H new ATOM 728 N THR A 48 -6.261 6.227 4.438 1.00 12.22 N ATOM 729 CA THR A 48 -5.638 7.513 4.096 1.00 2.24 C ATOM 730 C THR A 48 -4.250 7.305 3.481 1.00 23.41 C ATOM 731 O THR A 48 -3.716 6.200 3.517 1.00 23.00 O ATOM 732 CB THR A 48 -5.491 8.405 5.349 1.00 12.32 C ATOM 733 OG1 THR A 48 -4.585 7.788 6.279 1.00 10.24 O ATOM 734 CG2 THR A 48 -6.844 8.626 6.020 1.00 72.40 C ATOM 0 H THR A 48 -6.014 5.881 5.365 1.00 12.22 H new ATOM 0 HA THR A 48 -6.289 8.002 3.371 1.00 2.24 H new ATOM 0 HB THR A 48 -5.096 9.373 5.039 1.00 12.32 H new ATOM 0 HG1 THR A 48 -4.492 8.357 7.072 1.00 10.24 H new ATOM 0 HG21 THR A 48 -6.715 9.257 6.900 1.00 72.40 H new ATOM 0 HG22 THR A 48 -7.522 9.114 5.320 1.00 72.40 H new ATOM 0 HG23 THR A 48 -7.262 7.665 6.321 1.00 72.40 H new ATOM 742 N LYS A 49 -3.660 8.374 2.938 1.00 72.32 N ATOM 743 CA LYS A 49 -2.337 8.306 2.296 1.00 34.35 C ATOM 744 C LYS A 49 -1.331 7.489 3.126 1.00 41.24 C ATOM 745 O LYS A 49 -0.727 6.537 2.629 1.00 23.32 O ATOM 746 CB LYS A 49 -1.787 9.724 2.080 1.00 21.23 C ATOM 747 CG LYS A 49 -0.423 9.764 1.391 1.00 2.42 C ATOM 748 CD LYS A 49 -0.510 9.368 -0.078 1.00 10.21 C ATOM 749 CE LYS A 49 0.853 9.422 -0.754 1.00 33.52 C ATOM 750 NZ LYS A 49 1.528 10.729 -0.537 1.00 42.35 N ATOM 0 H LYS A 49 -4.078 9.304 2.929 1.00 72.32 H new ATOM 0 HA LYS A 49 -2.467 7.803 1.338 1.00 34.35 H new ATOM 0 HB2 LYS A 49 -2.501 10.292 1.483 1.00 21.23 H new ATOM 0 HB3 LYS A 49 -1.709 10.224 3.046 1.00 21.23 H new ATOM 0 HG2 LYS A 49 -0.006 10.768 1.471 1.00 2.42 H new ATOM 0 HG3 LYS A 49 0.263 9.092 1.907 1.00 2.42 H new ATOM 0 HD2 LYS A 49 -0.918 8.361 -0.160 1.00 10.21 H new ATOM 0 HD3 LYS A 49 -1.200 10.035 -0.595 1.00 10.21 H new ATOM 0 HE2 LYS A 49 1.482 8.620 -0.368 1.00 33.52 H new ATOM 0 HE3 LYS A 49 0.735 9.247 -1.823 1.00 33.52 H new ATOM 0 HZ1 LYS A 49 2.275 10.857 -1.249 1.00 42.35 H new ATOM 0 HZ2 LYS A 49 0.832 11.497 -0.623 1.00 42.35 H new ATOM 0 HZ3 LYS A 49 1.949 10.748 0.414 1.00 42.35 H new ATOM 764 N THR A 50 -1.162 7.867 4.390 1.00 54.41 N ATOM 765 CA THR A 50 -0.226 7.178 5.286 1.00 14.30 C ATOM 766 C THR A 50 -0.720 5.769 5.653 1.00 52.24 C ATOM 767 O THR A 50 0.066 4.818 5.708 1.00 53.11 O ATOM 768 CB THR A 50 0.007 7.986 6.586 1.00 72.43 C ATOM 769 OG1 THR A 50 0.447 9.317 6.269 1.00 4.55 O ATOM 770 CG2 THR A 50 1.046 7.315 7.474 1.00 4.45 C ATOM 0 H THR A 50 -1.659 8.646 4.821 1.00 54.41 H new ATOM 0 HA THR A 50 0.714 7.091 4.742 1.00 14.30 H new ATOM 0 HB THR A 50 -0.940 8.027 7.125 1.00 72.43 H new ATOM 0 HG1 THR A 50 0.590 9.820 7.098 1.00 4.55 H new ATOM 0 HG21 THR A 50 1.188 7.906 8.379 1.00 4.45 H new ATOM 0 HG22 THR A 50 0.704 6.316 7.743 1.00 4.45 H new ATOM 0 HG23 THR A 50 1.991 7.242 6.937 1.00 4.45 H new ATOM 778 N GLU A 51 -2.023 5.646 5.906 1.00 43.44 N ATOM 779 CA GLU A 51 -2.643 4.365 6.254 1.00 21.30 C ATOM 780 C GLU A 51 -2.351 3.294 5.184 1.00 53.14 C ATOM 781 O GLU A 51 -1.918 2.185 5.503 1.00 2.55 O ATOM 782 CB GLU A 51 -4.157 4.583 6.416 1.00 62.21 C ATOM 783 CG GLU A 51 -4.869 3.552 7.281 1.00 52.23 C ATOM 784 CD GLU A 51 -5.009 2.186 6.624 1.00 43.34 C ATOM 785 OE1 GLU A 51 -5.746 2.074 5.625 1.00 72.23 O ATOM 786 OE2 GLU A 51 -4.406 1.213 7.122 1.00 71.44 O ATOM 0 H GLU A 51 -2.677 6.428 5.876 1.00 43.44 H new ATOM 0 HA GLU A 51 -2.222 4.001 7.191 1.00 21.30 H new ATOM 0 HB2 GLU A 51 -4.322 5.571 6.845 1.00 62.21 H new ATOM 0 HB3 GLU A 51 -4.616 4.584 5.427 1.00 62.21 H new ATOM 0 HG2 GLU A 51 -4.323 3.439 8.218 1.00 52.23 H new ATOM 0 HG3 GLU A 51 -5.861 3.926 7.533 1.00 52.23 H new ATOM 793 N LEU A 52 -2.569 3.650 3.916 1.00 71.34 N ATOM 794 CA LEU A 52 -2.318 2.740 2.789 1.00 13.34 C ATOM 795 C LEU A 52 -0.863 2.244 2.793 1.00 45.34 C ATOM 796 O LEU A 52 -0.595 1.048 2.633 1.00 65.53 O ATOM 797 CB LEU A 52 -2.617 3.450 1.456 1.00 73.24 C ATOM 798 CG LEU A 52 -4.000 4.121 1.347 1.00 63.25 C ATOM 799 CD1 LEU A 52 -4.162 4.807 -0.008 1.00 52.11 C ATOM 800 CD2 LEU A 52 -5.125 3.116 1.587 1.00 35.01 C ATOM 0 H LEU A 52 -2.921 4.567 3.640 1.00 71.34 H new ATOM 0 HA LEU A 52 -2.978 1.880 2.899 1.00 13.34 H new ATOM 0 HB2 LEU A 52 -1.852 4.209 1.291 1.00 73.24 H new ATOM 0 HB3 LEU A 52 -2.523 2.722 0.650 1.00 73.24 H new ATOM 0 HG LEU A 52 -4.065 4.881 2.125 1.00 63.25 H new ATOM 0 HD11 LEU A 52 -5.145 5.274 -0.064 1.00 52.11 H new ATOM 0 HD12 LEU A 52 -3.391 5.569 -0.125 1.00 52.11 H new ATOM 0 HD13 LEU A 52 -4.066 4.068 -0.804 1.00 52.11 H new ATOM 0 HD21 LEU A 52 -6.088 3.621 1.503 1.00 35.01 H new ATOM 0 HD22 LEU A 52 -5.067 2.320 0.844 1.00 35.01 H new ATOM 0 HD23 LEU A 52 -5.025 2.689 2.585 1.00 35.01 H new ATOM 812 N ILE A 53 0.070 3.176 2.981 1.00 71.21 N ATOM 813 CA ILE A 53 1.502 2.855 3.050 1.00 54.24 C ATOM 814 C ILE A 53 1.798 1.814 4.144 1.00 13.40 C ATOM 815 O ILE A 53 2.420 0.777 3.889 1.00 50.32 O ATOM 816 CB ILE A 53 2.341 4.131 3.327 1.00 75.15 C ATOM 817 CG1 ILE A 53 2.154 5.150 2.188 1.00 74.13 C ATOM 818 CG2 ILE A 53 3.820 3.785 3.511 1.00 30.42 C ATOM 819 CD1 ILE A 53 2.873 6.466 2.412 1.00 24.41 C ATOM 0 H ILE A 53 -0.139 4.168 3.089 1.00 71.21 H new ATOM 0 HA ILE A 53 1.780 2.437 2.082 1.00 54.24 H new ATOM 0 HB ILE A 53 1.987 4.580 4.255 1.00 75.15 H new ATOM 0 HG12 ILE A 53 2.509 4.708 1.257 1.00 74.13 H new ATOM 0 HG13 ILE A 53 1.089 5.347 2.062 1.00 74.13 H new ATOM 0 HG21 ILE A 53 4.386 4.697 3.704 1.00 30.42 H new ATOM 0 HG22 ILE A 53 3.932 3.103 4.354 1.00 30.42 H new ATOM 0 HG23 ILE A 53 4.197 3.308 2.606 1.00 30.42 H new ATOM 0 HD11 ILE A 53 2.691 7.128 1.566 1.00 24.41 H new ATOM 0 HD12 ILE A 53 2.502 6.933 3.324 1.00 24.41 H new ATOM 0 HD13 ILE A 53 3.943 6.284 2.507 1.00 24.41 H new ATOM 831 N GLU A 54 1.341 2.095 5.364 1.00 62.04 N ATOM 832 CA GLU A 54 1.574 1.201 6.501 1.00 1.41 C ATOM 833 C GLU A 54 0.803 -0.120 6.356 1.00 21.54 C ATOM 834 O GLU A 54 1.234 -1.156 6.868 1.00 62.21 O ATOM 835 CB GLU A 54 1.208 1.901 7.818 1.00 72.45 C ATOM 836 CG GLU A 54 2.054 3.142 8.100 1.00 12.14 C ATOM 837 CD GLU A 54 1.845 3.708 9.498 1.00 40.31 C ATOM 838 OE1 GLU A 54 2.469 3.193 10.449 1.00 23.23 O ATOM 839 OE2 GLU A 54 1.077 4.679 9.651 1.00 71.33 O ATOM 0 H GLU A 54 0.807 2.934 5.592 1.00 62.04 H new ATOM 0 HA GLU A 54 2.636 0.957 6.516 1.00 1.41 H new ATOM 0 HB2 GLU A 54 0.156 2.186 7.790 1.00 72.45 H new ATOM 0 HB3 GLU A 54 1.325 1.196 8.641 1.00 72.45 H new ATOM 0 HG2 GLU A 54 3.107 2.893 7.970 1.00 12.14 H new ATOM 0 HG3 GLU A 54 1.815 3.911 7.365 1.00 12.14 H new ATOM 846 N ARG A 55 -0.330 -0.087 5.650 1.00 62.43 N ATOM 847 CA ARG A 55 -1.109 -1.304 5.389 1.00 40.25 C ATOM 848 C ARG A 55 -0.349 -2.238 4.433 1.00 4.15 C ATOM 849 O ARG A 55 -0.360 -3.463 4.594 1.00 30.32 O ATOM 850 CB ARG A 55 -2.490 -0.952 4.810 1.00 31.13 C ATOM 851 CG ARG A 55 -3.408 -2.161 4.650 1.00 34.12 C ATOM 852 CD ARG A 55 -4.763 -1.781 4.058 1.00 74.14 C ATOM 853 NE ARG A 55 -5.488 -0.820 4.890 1.00 54.00 N ATOM 854 CZ ARG A 55 -6.511 -1.119 5.642 1.00 74.23 C ATOM 855 NH1 ARG A 55 -6.879 -2.348 5.806 1.00 21.54 N ATOM 856 NH2 ARG A 55 -7.144 -0.183 6.258 1.00 1.12 N ATOM 0 H ARG A 55 -0.728 0.763 5.250 1.00 62.43 H new ATOM 0 HA ARG A 55 -1.256 -1.824 6.336 1.00 40.25 H new ATOM 0 HB2 ARG A 55 -2.973 -0.222 5.460 1.00 31.13 H new ATOM 0 HB3 ARG A 55 -2.357 -0.475 3.839 1.00 31.13 H new ATOM 0 HG2 ARG A 55 -2.927 -2.898 4.008 1.00 34.12 H new ATOM 0 HG3 ARG A 55 -3.557 -2.633 5.621 1.00 34.12 H new ATOM 0 HD2 ARG A 55 -4.616 -1.358 3.064 1.00 74.14 H new ATOM 0 HD3 ARG A 55 -5.368 -2.680 3.936 1.00 74.14 H new ATOM 0 HE ARG A 55 -5.172 0.150 4.881 1.00 54.00 H new ATOM 0 HH11 ARG A 55 -6.367 -3.100 5.344 1.00 21.54 H new ATOM 0 HH12 ARG A 55 -7.681 -2.566 6.397 1.00 21.54 H new ATOM 0 HH21 ARG A 55 -6.845 0.787 6.157 1.00 1.12 H new ATOM 0 HH22 ARG A 55 -7.945 -0.411 6.847 1.00 1.12 H new ATOM 870 N LEU A 56 0.318 -1.646 3.442 1.00 72.12 N ATOM 871 CA LEU A 56 1.199 -2.399 2.541 1.00 72.21 C ATOM 872 C LEU A 56 2.286 -3.150 3.328 1.00 41.31 C ATOM 873 O LEU A 56 2.507 -4.346 3.116 1.00 22.40 O ATOM 874 CB LEU A 56 1.850 -1.453 1.515 1.00 53.15 C ATOM 875 CG LEU A 56 0.926 -0.963 0.386 1.00 52.24 C ATOM 876 CD1 LEU A 56 1.616 0.113 -0.449 1.00 62.31 C ATOM 877 CD2 LEU A 56 0.494 -2.130 -0.500 1.00 72.31 C ATOM 0 H LEU A 56 0.267 -0.647 3.241 1.00 72.12 H new ATOM 0 HA LEU A 56 0.591 -3.133 2.013 1.00 72.21 H new ATOM 0 HB2 LEU A 56 2.240 -0.584 2.045 1.00 53.15 H new ATOM 0 HB3 LEU A 56 2.703 -1.963 1.067 1.00 53.15 H new ATOM 0 HG LEU A 56 0.037 -0.527 0.841 1.00 52.24 H new ATOM 0 HD11 LEU A 56 0.945 0.445 -1.241 1.00 62.31 H new ATOM 0 HD12 LEU A 56 1.872 0.960 0.188 1.00 62.31 H new ATOM 0 HD13 LEU A 56 2.524 -0.296 -0.891 1.00 62.31 H new ATOM 0 HD21 LEU A 56 -0.159 -1.763 -1.292 1.00 72.31 H new ATOM 0 HD22 LEU A 56 1.374 -2.597 -0.942 1.00 72.31 H new ATOM 0 HD23 LEU A 56 -0.042 -2.864 0.101 1.00 72.31 H new ATOM 889 N ARG A 57 2.953 -2.446 4.246 1.00 44.33 N ATOM 890 CA ARG A 57 3.980 -3.067 5.093 1.00 53.03 C ATOM 891 C ARG A 57 3.383 -4.186 5.959 1.00 25.14 C ATOM 892 O ARG A 57 3.985 -5.243 6.117 1.00 14.13 O ATOM 893 CB ARG A 57 4.650 -2.034 6.006 1.00 51.14 C ATOM 894 CG ARG A 57 5.282 -0.850 5.276 1.00 23.42 C ATOM 895 CD ARG A 57 6.187 -0.042 6.206 1.00 62.34 C ATOM 896 NE ARG A 57 5.516 0.318 7.457 1.00 22.22 N ATOM 897 CZ ARG A 57 6.118 0.861 8.482 1.00 75.45 C ATOM 898 NH1 ARG A 57 7.394 1.077 8.460 1.00 15.20 N ATOM 899 NH2 ARG A 57 5.445 1.157 9.545 1.00 72.12 N ATOM 0 H ARG A 57 2.804 -1.453 4.423 1.00 44.33 H new ATOM 0 HA ARG A 57 4.728 -3.490 4.423 1.00 53.03 H new ATOM 0 HB2 ARG A 57 3.908 -1.656 6.709 1.00 51.14 H new ATOM 0 HB3 ARG A 57 5.420 -2.534 6.593 1.00 51.14 H new ATOM 0 HG2 ARG A 57 5.861 -1.211 4.426 1.00 23.42 H new ATOM 0 HG3 ARG A 57 4.498 -0.206 4.878 1.00 23.42 H new ATOM 0 HD2 ARG A 57 7.083 -0.620 6.430 1.00 62.34 H new ATOM 0 HD3 ARG A 57 6.512 0.865 5.696 1.00 62.34 H new ATOM 0 HE ARG A 57 4.516 0.133 7.533 1.00 22.22 H new ATOM 0 HH11 ARG A 57 7.940 0.823 7.637 1.00 15.20 H new ATOM 0 HH12 ARG A 57 7.853 1.501 9.266 1.00 15.20 H new ATOM 0 HH21 ARG A 57 4.444 0.967 9.584 1.00 72.12 H new ATOM 0 HH22 ARG A 57 5.915 1.581 10.345 1.00 72.12 H new ATOM 913 N ALA A 58 2.195 -3.942 6.519 1.00 61.12 N ATOM 914 CA ALA A 58 1.513 -4.933 7.365 1.00 0.43 C ATOM 915 C ALA A 58 1.331 -6.274 6.635 1.00 31.53 C ATOM 916 O ALA A 58 1.511 -7.345 7.221 1.00 1.41 O ATOM 917 CB ALA A 58 0.167 -4.389 7.831 1.00 41.42 C ATOM 0 H ALA A 58 1.683 -3.067 6.403 1.00 61.12 H new ATOM 0 HA ALA A 58 2.142 -5.118 8.236 1.00 0.43 H new ATOM 0 HB1 ALA A 58 -0.329 -5.131 8.456 1.00 41.42 H new ATOM 0 HB2 ALA A 58 0.323 -3.476 8.406 1.00 41.42 H new ATOM 0 HB3 ALA A 58 -0.457 -4.170 6.964 1.00 41.42 H new ATOM 923 N TYR A 59 0.972 -6.205 5.356 1.00 25.24 N ATOM 924 CA TYR A 59 0.843 -7.401 4.519 1.00 5.00 C ATOM 925 C TYR A 59 2.220 -8.021 4.236 1.00 74.32 C ATOM 926 O TYR A 59 2.440 -9.211 4.462 1.00 33.34 O ATOM 927 CB TYR A 59 0.143 -7.038 3.203 1.00 11.04 C ATOM 928 CG TYR A 59 -0.096 -8.218 2.271 1.00 71.45 C ATOM 929 CD1 TYR A 59 -1.115 -9.132 2.520 1.00 71.01 C ATOM 930 CD2 TYR A 59 0.695 -8.414 1.141 1.00 1.11 C ATOM 931 CE1 TYR A 59 -1.337 -10.203 1.673 1.00 13.22 C ATOM 932 CE2 TYR A 59 0.476 -9.482 0.290 1.00 73.42 C ATOM 933 CZ TYR A 59 -0.541 -10.372 0.560 1.00 25.41 C ATOM 934 OH TYR A 59 -0.758 -11.437 -0.289 1.00 70.33 O ATOM 0 H TYR A 59 0.764 -5.331 4.872 1.00 25.24 H new ATOM 0 HA TYR A 59 0.244 -8.138 5.054 1.00 5.00 H new ATOM 0 HB2 TYR A 59 -0.815 -6.572 3.432 1.00 11.04 H new ATOM 0 HB3 TYR A 59 0.743 -6.293 2.680 1.00 11.04 H new ATOM 0 HD1 TYR A 59 -1.743 -9.003 3.389 1.00 71.01 H new ATOM 0 HD2 TYR A 59 1.494 -7.719 0.926 1.00 1.11 H new ATOM 0 HE1 TYR A 59 -2.131 -10.904 1.883 1.00 13.22 H new ATOM 0 HE2 TYR A 59 1.099 -9.618 -0.582 1.00 73.42 H new ATOM 0 HH TYR A 59 -0.110 -11.407 -1.024 1.00 70.33 H new ATOM 944 N GLN A 60 3.148 -7.194 3.762 1.00 32.22 N ATOM 945 CA GLN A 60 4.515 -7.638 3.454 1.00 54.12 C ATOM 946 C GLN A 60 5.223 -8.240 4.681 1.00 62.40 C ATOM 947 O GLN A 60 6.098 -9.100 4.552 1.00 62.32 O ATOM 948 CB GLN A 60 5.336 -6.463 2.907 1.00 71.11 C ATOM 949 CG GLN A 60 4.877 -5.970 1.542 1.00 42.43 C ATOM 950 CD GLN A 60 4.882 -7.068 0.498 1.00 24.41 C ATOM 951 OE1 GLN A 60 3.872 -7.708 0.241 1.00 33.20 O ATOM 952 NE2 GLN A 60 6.033 -7.321 -0.085 1.00 11.11 N ATOM 0 H GLN A 60 2.981 -6.204 3.580 1.00 32.22 H new ATOM 0 HA GLN A 60 4.440 -8.422 2.701 1.00 54.12 H new ATOM 0 HB2 GLN A 60 5.286 -5.637 3.616 1.00 71.11 H new ATOM 0 HB3 GLN A 60 6.382 -6.763 2.841 1.00 71.11 H new ATOM 0 HG2 GLN A 60 3.871 -5.558 1.627 1.00 42.43 H new ATOM 0 HG3 GLN A 60 5.527 -5.159 1.215 1.00 42.43 H new ATOM 0 HE21 GLN A 60 6.857 -6.768 0.152 1.00 11.11 H new ATOM 0 HE22 GLN A 60 6.102 -8.070 -0.774 1.00 11.11 H new ATOM 961 N ASP A 61 4.849 -7.771 5.858 1.00 34.13 N ATOM 962 CA ASP A 61 5.418 -8.260 7.115 1.00 13.33 C ATOM 963 C ASP A 61 4.926 -9.682 7.446 1.00 60.32 C ATOM 964 O ASP A 61 5.712 -10.555 7.817 1.00 74.13 O ATOM 965 CB ASP A 61 5.050 -7.286 8.245 1.00 54.13 C ATOM 966 CG ASP A 61 5.588 -7.717 9.597 1.00 74.25 C ATOM 967 OD1 ASP A 61 6.743 -7.376 9.919 1.00 42.40 O ATOM 968 OD2 ASP A 61 4.846 -8.383 10.352 1.00 61.44 O ATOM 0 H ASP A 61 4.145 -7.043 5.976 1.00 34.13 H new ATOM 0 HA ASP A 61 6.502 -8.311 7.010 1.00 13.33 H new ATOM 0 HB2 ASP A 61 5.437 -6.296 8.005 1.00 54.13 H new ATOM 0 HB3 ASP A 61 3.965 -7.198 8.303 1.00 54.13 H new ATOM 973 N GLN A 62 3.623 -9.909 7.294 1.00 43.41 N ATOM 974 CA GLN A 62 3.016 -11.191 7.672 1.00 2.30 C ATOM 975 C GLN A 62 3.220 -12.283 6.605 1.00 51.20 C ATOM 976 O GLN A 62 3.078 -13.470 6.895 1.00 54.43 O ATOM 977 CB GLN A 62 1.521 -11.002 7.971 1.00 75.43 C ATOM 978 CG GLN A 62 0.702 -10.506 6.786 1.00 1.44 C ATOM 979 CD GLN A 62 -0.723 -10.146 7.171 1.00 42.11 C ATOM 980 OE1 GLN A 62 -1.623 -10.980 7.133 1.00 51.24 O ATOM 981 NE2 GLN A 62 -0.940 -8.905 7.554 1.00 73.42 N ATOM 0 H GLN A 62 2.966 -9.227 6.914 1.00 43.41 H new ATOM 0 HA GLN A 62 3.525 -11.534 8.573 1.00 2.30 H new ATOM 0 HB2 GLN A 62 1.108 -11.952 8.311 1.00 75.43 H new ATOM 0 HB3 GLN A 62 1.414 -10.295 8.793 1.00 75.43 H new ATOM 0 HG2 GLN A 62 1.189 -9.633 6.352 1.00 1.44 H new ATOM 0 HG3 GLN A 62 0.683 -11.276 6.015 1.00 1.44 H new ATOM 0 HE21 GLN A 62 -0.171 -8.236 7.575 1.00 73.42 H new ATOM 0 HE22 GLN A 62 -1.878 -8.613 7.830 1.00 73.42 H new ATOM 990 N ILE A 63 3.544 -11.894 5.371 1.00 64.02 N ATOM 991 CA ILE A 63 3.819 -12.883 4.314 1.00 74.15 C ATOM 992 C ILE A 63 5.307 -13.271 4.258 1.00 20.15 C ATOM 993 O ILE A 63 5.662 -14.338 3.754 1.00 74.22 O ATOM 994 CB ILE A 63 3.380 -12.389 2.911 1.00 11.40 C ATOM 995 CG1 ILE A 63 4.215 -11.178 2.465 1.00 12.10 C ATOM 996 CG2 ILE A 63 1.888 -12.055 2.907 1.00 41.54 C ATOM 997 CD1 ILE A 63 3.943 -10.736 1.042 1.00 15.10 C ATOM 0 H ILE A 63 3.623 -10.921 5.077 1.00 64.02 H new ATOM 0 HA ILE A 63 3.228 -13.759 4.580 1.00 74.15 H new ATOM 0 HB ILE A 63 3.555 -13.193 2.196 1.00 11.40 H new ATOM 0 HG12 ILE A 63 4.016 -10.344 3.138 1.00 12.10 H new ATOM 0 HG13 ILE A 63 5.273 -11.422 2.563 1.00 12.10 H new ATOM 0 HG21 ILE A 63 1.595 -11.710 1.915 1.00 41.54 H new ATOM 0 HG22 ILE A 63 1.315 -12.946 3.165 1.00 41.54 H new ATOM 0 HG23 ILE A 63 1.689 -11.271 3.638 1.00 41.54 H new ATOM 0 HD11 ILE A 63 4.570 -9.877 0.802 1.00 15.10 H new ATOM 0 HD12 ILE A 63 4.169 -11.553 0.358 1.00 15.10 H new ATOM 0 HD13 ILE A 63 2.894 -10.459 0.941 1.00 15.10 H new ATOM 1009 N SER A 64 6.176 -12.405 4.777 1.00 11.53 N ATOM 1010 CA SER A 64 7.628 -12.649 4.743 1.00 75.25 C ATOM 1011 C SER A 64 8.146 -13.136 6.104 1.00 70.25 C ATOM 1012 O SER A 64 7.808 -12.567 7.143 1.00 70.23 O ATOM 1013 CB SER A 64 8.374 -11.371 4.335 1.00 21.11 C ATOM 1014 OG SER A 64 9.770 -11.601 4.209 1.00 51.15 O ATOM 0 H SER A 64 5.907 -11.529 5.226 1.00 11.53 H new ATOM 0 HA SER A 64 7.814 -13.430 4.005 1.00 75.25 H new ATOM 0 HB2 SER A 64 7.978 -11.004 3.388 1.00 21.11 H new ATOM 0 HB3 SER A 64 8.198 -10.593 5.078 1.00 21.11 H new ATOM 0 HG SER A 64 10.216 -10.769 3.947 1.00 51.15 H new ATOM 1020 N PRO A 65 8.976 -14.201 6.122 1.00 34.11 N ATOM 1021 CA PRO A 65 9.564 -14.732 7.368 1.00 23.11 C ATOM 1022 C PRO A 65 10.363 -13.674 8.149 1.00 74.52 C ATOM 1023 O PRO A 65 11.313 -13.088 7.623 1.00 40.10 O ATOM 1024 CB PRO A 65 10.494 -15.853 6.878 1.00 53.31 C ATOM 1025 CG PRO A 65 9.945 -16.244 5.549 1.00 31.12 C ATOM 1026 CD PRO A 65 9.398 -14.981 4.943 1.00 61.23 C ATOM 0 HA PRO A 65 8.794 -15.069 8.062 1.00 23.11 H new ATOM 0 HB2 PRO A 65 11.524 -15.505 6.795 1.00 53.31 H new ATOM 0 HB3 PRO A 65 10.497 -16.696 7.569 1.00 53.31 H new ATOM 0 HG2 PRO A 65 10.721 -16.676 4.917 1.00 31.12 H new ATOM 0 HG3 PRO A 65 9.164 -16.997 5.655 1.00 31.12 H new ATOM 0 HD2 PRO A 65 10.153 -14.454 4.360 1.00 61.23 H new ATOM 0 HD3 PRO A 65 8.562 -15.184 4.273 1.00 61.23 H new ATOM 1034 N VAL A 66 9.975 -13.434 9.400 1.00 50.32 N ATOM 1035 CA VAL A 66 10.658 -12.443 10.241 1.00 52.34 C ATOM 1036 C VAL A 66 12.093 -12.894 10.596 1.00 4.11 C ATOM 1037 O VAL A 66 12.288 -13.889 11.298 1.00 72.32 O ATOM 1038 CB VAL A 66 9.854 -12.140 11.539 1.00 21.42 C ATOM 1039 CG1 VAL A 66 8.531 -11.449 11.201 1.00 34.52 C ATOM 1040 CG2 VAL A 66 9.604 -13.416 12.347 1.00 75.12 C ATOM 0 H VAL A 66 9.195 -13.908 9.856 1.00 50.32 H new ATOM 0 HA VAL A 66 10.721 -11.525 9.657 1.00 52.34 H new ATOM 0 HB VAL A 66 10.451 -11.467 12.154 1.00 21.42 H new ATOM 0 HG11 VAL A 66 7.982 -11.245 12.120 1.00 34.52 H new ATOM 0 HG12 VAL A 66 8.732 -10.512 10.683 1.00 34.52 H new ATOM 0 HG13 VAL A 66 7.935 -12.098 10.559 1.00 34.52 H new ATOM 0 HG21 VAL A 66 9.040 -13.172 13.248 1.00 75.12 H new ATOM 0 HG22 VAL A 66 9.035 -14.123 11.743 1.00 75.12 H new ATOM 0 HG23 VAL A 66 10.558 -13.863 12.626 1.00 75.12 H new ATOM 1050 N PRO A 67 13.122 -12.172 10.106 1.00 72.42 N ATOM 1051 CA PRO A 67 14.533 -12.538 10.332 1.00 54.20 C ATOM 1052 C PRO A 67 14.952 -12.410 11.805 1.00 34.53 C ATOM 1053 O PRO A 67 15.320 -11.329 12.266 1.00 70.22 O ATOM 1054 CB PRO A 67 15.320 -11.546 9.451 1.00 11.12 C ATOM 1055 CG PRO A 67 14.305 -10.948 8.530 1.00 63.31 C ATOM 1056 CD PRO A 67 13.008 -10.951 9.290 1.00 43.01 C ATOM 0 HA PRO A 67 14.719 -13.582 10.081 1.00 54.20 H new ATOM 0 HB2 PRO A 67 15.802 -10.779 10.057 1.00 11.12 H new ATOM 0 HB3 PRO A 67 16.107 -12.054 8.893 1.00 11.12 H new ATOM 0 HG2 PRO A 67 14.587 -9.935 8.242 1.00 63.31 H new ATOM 0 HG3 PRO A 67 14.221 -11.529 7.611 1.00 63.31 H new ATOM 0 HD2 PRO A 67 12.897 -10.059 9.907 1.00 43.01 H new ATOM 0 HD3 PRO A 67 12.147 -10.987 8.623 1.00 43.01 H new ATOM 1064 N GLY A 68 14.867 -13.512 12.547 1.00 61.32 N ATOM 1065 CA GLY A 68 15.229 -13.502 13.964 1.00 21.13 C ATOM 1066 C GLY A 68 14.162 -12.870 14.862 1.00 12.04 C ATOM 1067 O GLY A 68 13.697 -13.497 15.817 1.00 2.41 O ATOM 0 H GLY A 68 14.553 -14.417 12.195 1.00 61.32 H new ATOM 0 HA2 GLY A 68 15.409 -14.526 14.292 1.00 21.13 H new ATOM 0 HA3 GLY A 68 16.166 -12.958 14.088 1.00 21.13 H new ATOM 1071 N ALA A 69 13.788 -11.624 14.555 1.00 33.24 N ATOM 1072 CA ALA A 69 12.783 -10.874 15.326 1.00 44.33 C ATOM 1073 C ALA A 69 13.305 -10.468 16.718 1.00 25.42 C ATOM 1074 O ALA A 69 14.088 -11.193 17.336 1.00 71.23 O ATOM 1075 CB ALA A 69 11.479 -11.668 15.443 1.00 53.33 C ATOM 0 H ALA A 69 14.172 -11.104 13.766 1.00 33.24 H new ATOM 0 HA ALA A 69 12.579 -9.954 14.778 1.00 44.33 H new ATOM 0 HB1 ALA A 69 10.753 -11.092 16.017 1.00 53.33 H new ATOM 0 HB2 ALA A 69 11.082 -11.864 14.447 1.00 53.33 H new ATOM 0 HB3 ALA A 69 11.673 -12.614 15.948 1.00 53.33 H new ATOM 1081 N PRO A 70 12.894 -9.284 17.221 1.00 0.34 N ATOM 1082 CA PRO A 70 13.284 -8.809 18.563 1.00 53.12 C ATOM 1083 C PRO A 70 12.902 -9.792 19.688 1.00 33.25 C ATOM 1084 O PRO A 70 11.858 -10.448 19.628 1.00 73.15 O ATOM 1085 CB PRO A 70 12.504 -7.492 18.715 1.00 52.04 C ATOM 1086 CG PRO A 70 12.230 -7.046 17.318 1.00 11.14 C ATOM 1087 CD PRO A 70 12.030 -8.307 16.523 1.00 11.03 C ATOM 0 HA PRO A 70 14.365 -8.700 18.649 1.00 53.12 H new ATOM 0 HB2 PRO A 70 11.578 -7.643 19.271 1.00 52.04 H new ATOM 0 HB3 PRO A 70 13.086 -6.749 19.260 1.00 52.04 H new ATOM 0 HG2 PRO A 70 11.345 -6.411 17.276 1.00 11.14 H new ATOM 0 HG3 PRO A 70 13.061 -6.461 16.923 1.00 11.14 H new ATOM 0 HD2 PRO A 70 10.986 -8.621 16.521 1.00 11.03 H new ATOM 0 HD3 PRO A 70 12.326 -8.178 15.482 1.00 11.03 H new ATOM 1095 N LYS A 71 13.753 -9.894 20.711 1.00 63.01 N ATOM 1096 CA LYS A 71 13.480 -10.782 21.846 1.00 24.44 C ATOM 1097 C LYS A 71 12.469 -10.154 22.822 1.00 54.41 C ATOM 1098 O LYS A 71 12.465 -8.941 23.042 1.00 35.31 O ATOM 1099 CB LYS A 71 14.794 -11.179 22.563 1.00 63.24 C ATOM 1100 CG LYS A 71 15.758 -10.025 22.876 1.00 63.53 C ATOM 1101 CD LYS A 71 15.316 -9.173 24.064 1.00 22.15 C ATOM 1102 CE LYS A 71 15.254 -9.974 25.363 1.00 0.23 C ATOM 1103 NZ LYS A 71 16.586 -10.493 25.765 1.00 32.45 N ATOM 0 H LYS A 71 14.630 -9.378 20.778 1.00 63.01 H new ATOM 0 HA LYS A 71 13.025 -11.693 21.457 1.00 24.44 H new ATOM 0 HB2 LYS A 71 14.539 -11.679 23.498 1.00 63.24 H new ATOM 0 HB3 LYS A 71 15.318 -11.908 21.944 1.00 63.24 H new ATOM 0 HG2 LYS A 71 16.748 -10.433 23.079 1.00 63.53 H new ATOM 0 HG3 LYS A 71 15.850 -9.389 21.996 1.00 63.53 H new ATOM 0 HD2 LYS A 71 16.007 -8.339 24.187 1.00 22.15 H new ATOM 0 HD3 LYS A 71 14.335 -8.746 23.856 1.00 22.15 H new ATOM 0 HE2 LYS A 71 14.856 -9.343 26.158 1.00 0.23 H new ATOM 0 HE3 LYS A 71 14.562 -10.808 25.241 1.00 0.23 H new ATOM 0 HZ1 LYS A 71 16.523 -10.912 26.715 1.00 32.45 H new ATOM 0 HZ2 LYS A 71 16.895 -11.218 25.087 1.00 32.45 H new ATOM 0 HZ3 LYS A 71 17.274 -9.713 25.776 1.00 32.45 H new ATOM 1117 N ALA A 72 11.595 -10.989 23.379 1.00 22.32 N ATOM 1118 CA ALA A 72 10.584 -10.532 24.338 1.00 61.33 C ATOM 1119 C ALA A 72 11.073 -10.678 25.793 1.00 32.13 C ATOM 1120 O ALA A 72 11.754 -11.650 26.129 1.00 21.22 O ATOM 1121 CB ALA A 72 9.288 -11.311 24.129 1.00 40.52 C ATOM 0 H ALA A 72 11.564 -11.990 23.184 1.00 22.32 H new ATOM 0 HA ALA A 72 10.402 -9.472 24.161 1.00 61.33 H new ATOM 0 HB1 ALA A 72 8.539 -10.969 24.843 1.00 40.52 H new ATOM 0 HB2 ALA A 72 8.924 -11.147 23.115 1.00 40.52 H new ATOM 0 HB3 ALA A 72 9.474 -12.374 24.280 1.00 40.52 H new ATOM 1127 N PRO A 73 10.740 -9.708 26.675 1.00 52.12 N ATOM 1128 CA PRO A 73 11.121 -9.764 28.102 1.00 60.30 C ATOM 1129 C PRO A 73 10.589 -11.024 28.814 1.00 61.22 C ATOM 1130 O PRO A 73 9.399 -11.121 29.128 1.00 15.51 O ATOM 1131 CB PRO A 73 10.483 -8.491 28.696 1.00 64.03 C ATOM 1132 CG PRO A 73 10.279 -7.584 27.528 1.00 75.52 C ATOM 1133 CD PRO A 73 9.983 -8.483 26.357 1.00 43.13 C ATOM 0 HA PRO A 73 12.203 -9.813 28.228 1.00 60.30 H new ATOM 0 HB2 PRO A 73 9.538 -8.716 29.191 1.00 64.03 H new ATOM 0 HB3 PRO A 73 11.133 -8.034 29.442 1.00 64.03 H new ATOM 0 HG2 PRO A 73 9.455 -6.893 27.709 1.00 75.52 H new ATOM 0 HG3 PRO A 73 11.167 -6.980 27.342 1.00 75.52 H new ATOM 0 HD2 PRO A 73 8.916 -8.682 26.262 1.00 43.13 H new ATOM 0 HD3 PRO A 73 10.310 -8.040 25.416 1.00 43.13 H new ATOM 1141 N ALA A 74 11.474 -11.990 29.057 1.00 54.33 N ATOM 1142 CA ALA A 74 11.093 -13.249 29.708 1.00 43.23 C ATOM 1143 C ALA A 74 10.839 -13.054 31.211 1.00 14.45 C ATOM 1144 O ALA A 74 11.578 -12.336 31.892 1.00 74.20 O ATOM 1145 CB ALA A 74 12.175 -14.301 29.486 1.00 74.42 C ATOM 0 H ALA A 74 12.462 -11.927 28.813 1.00 54.33 H new ATOM 0 HA ALA A 74 10.161 -13.591 29.257 1.00 43.23 H new ATOM 0 HB1 ALA A 74 11.883 -15.232 29.973 1.00 74.42 H new ATOM 0 HB2 ALA A 74 12.300 -14.474 28.417 1.00 74.42 H new ATOM 0 HB3 ALA A 74 13.116 -13.950 29.909 1.00 74.42 H new ATOM 1151 N ALA A 75 9.782 -13.688 31.720 1.00 60.14 N ATOM 1152 CA ALA A 75 9.449 -13.632 33.152 1.00 65.14 C ATOM 1153 C ALA A 75 10.234 -14.688 33.957 1.00 31.12 C ATOM 1154 O ALA A 75 11.306 -14.348 34.510 1.00 40.02 O ATOM 1155 CB ALA A 75 7.945 -13.809 33.348 1.00 44.13 C ATOM 1156 OXT ALA A 75 9.790 -15.860 34.012 1.00 40.02 O ATOM 0 H ALA A 75 9.137 -14.249 31.163 1.00 60.14 H new ATOM 0 HA ALA A 75 9.741 -12.652 33.530 1.00 65.14 H new ATOM 0 HB1 ALA A 75 7.709 -13.766 34.411 1.00 44.13 H new ATOM 0 HB2 ALA A 75 7.414 -13.013 32.826 1.00 44.13 H new ATOM 0 HB3 ALA A 75 7.637 -14.775 32.947 1.00 44.13 H new TER 1162 ALA A 75