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 Set 1.1: A 60 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0478) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0074) USER MOD Single : A 6 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.014) USER MOD Single : A 7 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.2) USER MOD Single : A 8 HIS : no HD1:sc= -0.0065 X(o=-0.0065,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= 1.22 (180deg=-0.358) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -171:sc= -1.59 (180deg=-1.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.862 (180deg=0.807) USER MOD Single : A 36 GLN : amide:sc= -2.44! X(o=-2.4!,f=-2.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -37:sc= 0.948 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= 0.377 (180deg=0.295) 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 62 GLN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.583 -47.919 25.106 1.00 24.13 N ATOM 2 CA MET A 1 41.344 -46.710 25.944 1.00 4.50 C ATOM 3 C MET A 1 41.351 -45.430 25.093 1.00 22.32 C ATOM 4 O MET A 1 42.408 -44.930 24.708 1.00 21.11 O ATOM 5 CB MET A 1 42.400 -46.609 27.061 1.00 5.12 C ATOM 6 CG MET A 1 42.351 -47.754 28.070 1.00 50.54 C ATOM 7 SD MET A 1 43.532 -47.550 29.421 1.00 54.02 S ATOM 8 CE MET A 1 43.212 -49.026 30.387 1.00 22.44 C ATOM 0 H1 MET A 1 41.455 -48.773 25.685 1.00 24.13 H new ATOM 0 H2 MET A 1 40.908 -47.932 24.315 1.00 24.13 H new ATOM 0 H3 MET A 1 42.553 -47.896 24.732 1.00 24.13 H new ATOM 0 HA MET A 1 40.358 -46.811 26.397 1.00 4.50 H new ATOM 0 HB2 MET A 1 43.391 -46.580 26.608 1.00 5.12 H new ATOM 0 HB3 MET A 1 42.264 -45.666 27.591 1.00 5.12 H new ATOM 0 HG2 MET A 1 41.344 -47.826 28.482 1.00 50.54 H new ATOM 0 HG3 MET A 1 42.553 -48.694 27.556 1.00 50.54 H new ATOM 0 HE1 MET A 1 43.868 -49.041 31.257 1.00 22.44 H new ATOM 0 HE2 MET A 1 42.173 -49.027 30.716 1.00 22.44 H new ATOM 0 HE3 MET A 1 43.400 -49.909 29.776 1.00 22.44 H new ATOM 20 N GLY A 2 40.163 -44.911 24.788 1.00 53.22 N ATOM 21 CA GLY A 2 40.058 -43.691 23.997 1.00 70.21 C ATOM 22 C GLY A 2 38.619 -43.342 23.624 1.00 40.23 C ATOM 23 O GLY A 2 38.016 -43.995 22.770 1.00 4.04 O ATOM 0 H GLY A 2 39.270 -45.312 25.074 1.00 53.22 H new ATOM 0 HA2 GLY A 2 40.493 -42.863 24.557 1.00 70.21 H new ATOM 0 HA3 GLY A 2 40.646 -43.804 23.086 1.00 70.21 H new ATOM 27 N HIS A 3 38.065 -42.320 24.272 1.00 62.44 N ATOM 28 CA HIS A 3 36.704 -41.854 23.981 1.00 34.41 C ATOM 29 C HIS A 3 36.721 -40.810 22.852 1.00 74.13 C ATOM 30 O HIS A 3 37.007 -39.634 23.085 1.00 21.54 O ATOM 31 CB HIS A 3 36.068 -41.248 25.243 1.00 3.20 C ATOM 32 CG HIS A 3 36.086 -42.161 26.437 1.00 2.04 C ATOM 33 ND1 HIS A 3 36.877 -41.935 27.542 1.00 14.21 N ATOM 34 CD2 HIS A 3 35.398 -43.298 26.703 1.00 24.32 C ATOM 35 CE1 HIS A 3 36.680 -42.886 28.429 1.00 35.40 C ATOM 36 NE2 HIS A 3 35.785 -43.726 27.950 1.00 34.11 N ATOM 0 H HIS A 3 38.538 -41.794 25.007 1.00 62.44 H new ATOM 0 HA HIS A 3 36.110 -42.709 23.659 1.00 34.41 H new ATOM 0 HB2 HIS A 3 36.593 -40.327 25.495 1.00 3.20 H new ATOM 0 HB3 HIS A 3 35.036 -40.976 25.022 1.00 3.20 H new ATOM 0 HD2 HIS A 3 34.679 -43.778 26.055 1.00 24.32 H new ATOM 0 HE1 HIS A 3 37.169 -42.965 29.388 1.00 35.40 H new ATOM 0 HE2 HIS A 3 35.437 -44.558 28.427 1.00 34.11 H new ATOM 45 N HIS A 4 36.413 -41.237 21.629 1.00 71.03 N ATOM 46 CA HIS A 4 36.533 -40.359 20.457 1.00 55.30 C ATOM 47 C HIS A 4 35.459 -40.678 19.396 1.00 23.20 C ATOM 48 O HIS A 4 35.344 -41.816 18.939 1.00 54.13 O ATOM 49 CB HIS A 4 37.945 -40.498 19.861 1.00 54.33 C ATOM 50 CG HIS A 4 38.255 -39.536 18.750 1.00 10.43 C ATOM 51 ND1 HIS A 4 38.775 -39.934 17.537 1.00 74.24 N ATOM 52 CD2 HIS A 4 38.154 -38.186 18.682 1.00 3.55 C ATOM 53 CE1 HIS A 4 38.981 -38.879 16.778 1.00 71.42 C ATOM 54 NE2 HIS A 4 38.615 -37.804 17.445 1.00 71.31 N ATOM 0 H HIS A 4 36.080 -42.178 21.420 1.00 71.03 H new ATOM 0 HA HIS A 4 36.372 -39.329 20.776 1.00 55.30 H new ATOM 0 HB2 HIS A 4 38.676 -40.360 20.658 1.00 54.33 H new ATOM 0 HB3 HIS A 4 38.069 -41.515 19.488 1.00 54.33 H new ATOM 0 HD2 HIS A 4 37.781 -37.532 19.456 1.00 3.55 H new ATOM 0 HE1 HIS A 4 39.383 -38.892 15.776 1.00 71.42 H new ATOM 0 HE2 HIS A 4 38.665 -36.845 17.100 1.00 71.31 H new ATOM 63 N HIS A 5 34.687 -39.659 19.011 1.00 21.15 N ATOM 64 CA HIS A 5 33.609 -39.807 18.019 1.00 60.21 C ATOM 65 C HIS A 5 33.448 -38.502 17.210 1.00 23.45 C ATOM 66 O HIS A 5 33.733 -37.417 17.713 1.00 44.41 O ATOM 67 CB HIS A 5 32.295 -40.165 18.739 1.00 11.51 C ATOM 68 CG HIS A 5 31.138 -40.464 17.828 1.00 23.23 C ATOM 69 ND1 HIS A 5 30.726 -41.745 17.529 1.00 41.12 N ATOM 70 CD2 HIS A 5 30.290 -39.640 17.164 1.00 11.31 C ATOM 71 CE1 HIS A 5 29.684 -41.697 16.726 1.00 40.53 C ATOM 72 NE2 HIS A 5 29.400 -40.435 16.492 1.00 33.31 N ATOM 0 H HIS A 5 34.787 -38.711 19.374 1.00 21.15 H new ATOM 0 HA HIS A 5 33.862 -40.609 17.325 1.00 60.21 H new ATOM 0 HB2 HIS A 5 32.471 -41.032 19.376 1.00 11.51 H new ATOM 0 HB3 HIS A 5 32.019 -39.339 19.394 1.00 11.51 H new ATOM 0 HD2 HIS A 5 30.312 -38.560 17.165 1.00 11.31 H new ATOM 0 HE1 HIS A 5 29.153 -42.549 16.328 1.00 40.53 H new ATOM 0 HE2 HIS A 5 28.637 -40.101 15.903 1.00 33.31 H new ATOM 81 N HIS A 6 33.001 -38.612 15.958 1.00 72.33 N ATOM 82 CA HIS A 6 32.798 -37.430 15.101 1.00 61.33 C ATOM 83 C HIS A 6 31.391 -37.406 14.486 1.00 3.31 C ATOM 84 O HIS A 6 30.740 -38.439 14.363 1.00 52.04 O ATOM 85 CB HIS A 6 33.855 -37.387 13.983 1.00 13.04 C ATOM 86 CG HIS A 6 33.854 -38.589 13.079 1.00 43.32 C ATOM 87 ND1 HIS A 6 34.851 -39.537 13.090 1.00 4.24 N ATOM 88 CD2 HIS A 6 32.978 -38.986 12.122 1.00 51.31 C ATOM 89 CE1 HIS A 6 34.594 -40.461 12.186 1.00 12.34 C ATOM 90 NE2 HIS A 6 33.465 -40.153 11.585 1.00 41.42 N ATOM 0 H HIS A 6 32.772 -39.500 15.511 1.00 72.33 H new ATOM 0 HA HIS A 6 32.905 -36.549 15.734 1.00 61.33 H new ATOM 0 HB2 HIS A 6 33.692 -36.494 13.380 1.00 13.04 H new ATOM 0 HB3 HIS A 6 34.842 -37.289 14.436 1.00 13.04 H new ATOM 0 HD2 HIS A 6 32.068 -38.479 11.836 1.00 51.31 H new ATOM 0 HE1 HIS A 6 35.207 -41.325 11.974 1.00 12.34 H new ATOM 0 HE2 HIS A 6 33.023 -40.693 10.841 1.00 41.42 H new ATOM 99 N HIS A 7 30.932 -36.217 14.098 1.00 74.32 N ATOM 100 CA HIS A 7 29.635 -36.074 13.421 1.00 75.44 C ATOM 101 C HIS A 7 29.535 -34.739 12.657 1.00 24.02 C ATOM 102 O HIS A 7 29.467 -33.664 13.258 1.00 15.41 O ATOM 103 CB HIS A 7 28.478 -36.205 14.427 1.00 20.20 C ATOM 104 CG HIS A 7 28.494 -35.186 15.527 1.00 2.11 C ATOM 105 ND1 HIS A 7 27.552 -34.190 15.642 1.00 5.23 N ATOM 106 CD2 HIS A 7 29.336 -35.022 16.572 1.00 25.40 C ATOM 107 CE1 HIS A 7 27.812 -33.461 16.707 1.00 14.31 C ATOM 108 NE2 HIS A 7 28.887 -33.944 17.292 1.00 21.14 N ATOM 0 H HIS A 7 31.433 -35.340 14.238 1.00 74.32 H new ATOM 0 HA HIS A 7 29.558 -36.880 12.691 1.00 75.44 H new ATOM 0 HB2 HIS A 7 27.534 -36.125 13.888 1.00 20.20 H new ATOM 0 HB3 HIS A 7 28.509 -37.200 14.870 1.00 20.20 H new ATOM 0 HD2 HIS A 7 30.201 -35.627 16.798 1.00 25.40 H new ATOM 0 HE1 HIS A 7 27.239 -32.610 17.044 1.00 14.31 H new ATOM 0 HE2 HIS A 7 29.316 -33.577 18.141 1.00 21.14 H new ATOM 117 N HIS A 8 29.535 -34.821 11.326 1.00 62.55 N ATOM 118 CA HIS A 8 29.420 -33.640 10.460 1.00 72.12 C ATOM 119 C HIS A 8 28.275 -33.804 9.446 1.00 2.43 C ATOM 120 O HIS A 8 28.302 -34.704 8.605 1.00 42.12 O ATOM 121 CB HIS A 8 30.750 -33.397 9.720 1.00 54.02 C ATOM 122 CG HIS A 8 30.702 -32.273 8.723 1.00 13.42 C ATOM 123 ND1 HIS A 8 30.973 -30.960 9.047 1.00 63.14 N ATOM 124 CD2 HIS A 8 30.413 -32.271 7.396 1.00 61.32 C ATOM 125 CE1 HIS A 8 30.850 -30.206 7.975 1.00 2.12 C ATOM 126 NE2 HIS A 8 30.514 -30.974 6.963 1.00 72.41 N ATOM 0 H HIS A 8 29.614 -35.701 10.817 1.00 62.55 H new ATOM 0 HA HIS A 8 29.195 -32.779 11.089 1.00 72.12 H new ATOM 0 HB2 HIS A 8 31.528 -33.185 10.454 1.00 54.02 H new ATOM 0 HB3 HIS A 8 31.039 -34.313 9.205 1.00 54.02 H new ATOM 0 HD2 HIS A 8 30.153 -33.130 6.795 1.00 61.32 H new ATOM 0 HE1 HIS A 8 31.000 -29.137 7.934 1.00 2.12 H new ATOM 0 HE2 HIS A 8 30.354 -30.656 6.007 1.00 72.41 H new ATOM 135 N SER A 9 27.280 -32.923 9.522 1.00 72.34 N ATOM 136 CA SER A 9 26.134 -32.957 8.601 1.00 30.24 C ATOM 137 C SER A 9 25.626 -31.541 8.288 1.00 54.04 C ATOM 138 O SER A 9 25.654 -30.656 9.147 1.00 45.11 O ATOM 139 CB SER A 9 24.992 -33.790 9.196 1.00 51.02 C ATOM 140 OG SER A 9 23.870 -33.838 8.320 1.00 73.54 O ATOM 0 H SER A 9 27.240 -32.173 10.212 1.00 72.34 H new ATOM 0 HA SER A 9 26.473 -33.417 7.673 1.00 30.24 H new ATOM 0 HB2 SER A 9 25.344 -34.802 9.394 1.00 51.02 H new ATOM 0 HB3 SER A 9 24.690 -33.364 10.153 1.00 51.02 H new ATOM 0 HG SER A 9 23.160 -34.377 8.727 1.00 73.54 H new ATOM 146 N HIS A 10 25.161 -31.333 7.057 1.00 41.03 N ATOM 147 CA HIS A 10 24.612 -30.037 6.635 1.00 2.50 C ATOM 148 C HIS A 10 23.788 -30.188 5.342 1.00 45.54 C ATOM 149 O HIS A 10 24.307 -30.039 4.234 1.00 2.32 O ATOM 150 CB HIS A 10 25.741 -29.013 6.448 1.00 22.23 C ATOM 151 CG HIS A 10 25.258 -27.633 6.124 1.00 44.31 C ATOM 152 ND1 HIS A 10 25.526 -27.006 4.930 1.00 2.24 N ATOM 153 CD2 HIS A 10 24.527 -26.754 6.849 1.00 34.51 C ATOM 154 CE1 HIS A 10 24.985 -25.807 4.932 1.00 42.22 C ATOM 155 NE2 HIS A 10 24.375 -25.628 6.084 1.00 55.12 N ATOM 0 H HIS A 10 25.152 -32.047 6.328 1.00 41.03 H new ATOM 0 HA HIS A 10 23.946 -29.673 7.417 1.00 2.50 H new ATOM 0 HB2 HIS A 10 26.338 -28.974 7.359 1.00 22.23 H new ATOM 0 HB3 HIS A 10 26.400 -29.354 5.649 1.00 22.23 H new ATOM 0 HD2 HIS A 10 24.137 -26.911 7.844 1.00 34.51 H new ATOM 0 HE1 HIS A 10 25.033 -25.091 4.125 1.00 42.22 H new ATOM 0 HE2 HIS A 10 23.870 -24.786 6.362 1.00 55.12 H new ATOM 164 N MET A 11 22.505 -30.505 5.499 1.00 1.01 N ATOM 165 CA MET A 11 21.608 -30.753 4.361 1.00 25.40 C ATOM 166 C MET A 11 20.887 -29.465 3.913 1.00 24.44 C ATOM 167 O MET A 11 20.456 -28.662 4.745 1.00 71.41 O ATOM 168 CB MET A 11 20.582 -31.830 4.750 1.00 52.02 C ATOM 169 CG MET A 11 19.689 -32.294 3.607 1.00 22.31 C ATOM 170 SD MET A 11 18.510 -33.554 4.136 1.00 0.44 S ATOM 171 CE MET A 11 17.714 -33.959 2.584 1.00 11.30 C ATOM 0 H MET A 11 22.055 -30.598 6.410 1.00 1.01 H new ATOM 0 HA MET A 11 22.207 -31.099 3.519 1.00 25.40 H new ATOM 0 HB2 MET A 11 21.114 -32.692 5.152 1.00 52.02 H new ATOM 0 HB3 MET A 11 19.953 -31.442 5.551 1.00 52.02 H new ATOM 0 HG2 MET A 11 19.148 -31.440 3.200 1.00 22.31 H new ATOM 0 HG3 MET A 11 20.308 -32.692 2.803 1.00 22.31 H new ATOM 0 HE1 MET A 11 16.958 -34.727 2.752 1.00 11.30 H new ATOM 0 HE2 MET A 11 17.240 -33.067 2.174 1.00 11.30 H new ATOM 0 HE3 MET A 11 18.458 -34.330 1.879 1.00 11.30 H new ATOM 181 N SER A 12 20.760 -29.275 2.597 1.00 34.22 N ATOM 182 CA SER A 12 20.086 -28.087 2.039 1.00 1.43 C ATOM 183 C SER A 12 18.812 -28.463 1.268 1.00 72.31 C ATOM 184 O SER A 12 18.796 -29.426 0.498 1.00 53.33 O ATOM 185 CB SER A 12 21.038 -27.313 1.113 1.00 75.21 C ATOM 186 OG SER A 12 22.152 -26.804 1.832 1.00 10.42 O ATOM 0 H SER A 12 21.113 -29.925 1.894 1.00 34.22 H new ATOM 0 HA SER A 12 19.801 -27.454 2.880 1.00 1.43 H new ATOM 0 HB2 SER A 12 21.386 -27.968 0.315 1.00 75.21 H new ATOM 0 HB3 SER A 12 20.501 -26.491 0.640 1.00 75.21 H new ATOM 0 HG SER A 12 22.742 -26.318 1.219 1.00 10.42 H new ATOM 192 N THR A 13 17.752 -27.682 1.468 1.00 61.32 N ATOM 193 CA THR A 13 16.456 -27.925 0.811 1.00 42.13 C ATOM 194 C THR A 13 16.366 -27.194 -0.543 1.00 30.31 C ATOM 195 O THR A 13 17.092 -26.227 -0.774 1.00 64.33 O ATOM 196 CB THR A 13 15.280 -27.456 1.709 1.00 33.11 C ATOM 197 OG1 THR A 13 15.369 -26.042 1.946 1.00 32.20 O ATOM 198 CG2 THR A 13 15.281 -28.193 3.045 1.00 72.40 C ATOM 0 H THR A 13 17.760 -26.868 2.083 1.00 61.32 H new ATOM 0 HA THR A 13 16.383 -29.000 0.644 1.00 42.13 H new ATOM 0 HB THR A 13 14.351 -27.682 1.186 1.00 33.11 H new ATOM 0 HG1 THR A 13 14.621 -25.757 2.512 1.00 32.20 H new ATOM 0 HG21 THR A 13 14.447 -27.844 3.653 1.00 72.40 H new ATOM 0 HG22 THR A 13 15.180 -29.264 2.870 1.00 72.40 H new ATOM 0 HG23 THR A 13 16.217 -27.998 3.568 1.00 72.40 H new ATOM 206 N PRO A 14 15.487 -27.656 -1.463 1.00 25.25 N ATOM 207 CA PRO A 14 15.273 -26.992 -2.769 1.00 23.42 C ATOM 208 C PRO A 14 14.930 -25.493 -2.645 1.00 30.45 C ATOM 209 O PRO A 14 14.232 -25.077 -1.719 1.00 65.21 O ATOM 210 CB PRO A 14 14.088 -27.766 -3.366 1.00 45.01 C ATOM 211 CG PRO A 14 14.156 -29.110 -2.725 1.00 0.23 C ATOM 212 CD PRO A 14 14.654 -28.869 -1.324 1.00 30.00 C ATOM 0 HA PRO A 14 16.176 -27.013 -3.379 1.00 23.42 H new ATOM 0 HB2 PRO A 14 13.141 -27.271 -3.149 1.00 45.01 H new ATOM 0 HB3 PRO A 14 14.168 -27.839 -4.451 1.00 45.01 H new ATOM 0 HG2 PRO A 14 13.177 -29.589 -2.715 1.00 0.23 H new ATOM 0 HG3 PRO A 14 14.829 -29.771 -3.271 1.00 0.23 H new ATOM 0 HD2 PRO A 14 13.831 -28.714 -0.626 1.00 30.00 H new ATOM 0 HD3 PRO A 14 15.233 -29.714 -0.952 1.00 30.00 H new ATOM 220 N LEU A 15 15.421 -24.689 -3.589 1.00 65.12 N ATOM 221 CA LEU A 15 15.202 -23.239 -3.572 1.00 52.41 C ATOM 222 C LEU A 15 14.025 -22.832 -4.473 1.00 52.45 C ATOM 223 O LEU A 15 14.101 -22.935 -5.700 1.00 23.05 O ATOM 224 CB LEU A 15 16.479 -22.515 -4.017 1.00 74.30 C ATOM 225 CG LEU A 15 17.722 -22.779 -3.150 1.00 31.14 C ATOM 226 CD1 LEU A 15 18.924 -22.014 -3.698 1.00 25.33 C ATOM 227 CD2 LEU A 15 17.458 -22.399 -1.691 1.00 50.45 C ATOM 0 H LEU A 15 15.976 -25.018 -4.379 1.00 65.12 H new ATOM 0 HA LEU A 15 14.953 -22.949 -2.551 1.00 52.41 H new ATOM 0 HB2 LEU A 15 16.704 -22.807 -5.043 1.00 74.30 H new ATOM 0 HB3 LEU A 15 16.284 -21.443 -4.026 1.00 74.30 H new ATOM 0 HG LEU A 15 17.946 -23.845 -3.185 1.00 31.14 H new ATOM 0 HD11 LEU A 15 19.796 -22.211 -3.074 1.00 25.33 H new ATOM 0 HD12 LEU A 15 19.127 -22.339 -4.718 1.00 25.33 H new ATOM 0 HD13 LEU A 15 18.708 -20.946 -3.693 1.00 25.33 H new ATOM 0 HD21 LEU A 15 18.351 -22.594 -1.097 1.00 50.45 H new ATOM 0 HD22 LEU A 15 17.206 -21.340 -1.631 1.00 50.45 H new ATOM 0 HD23 LEU A 15 16.629 -22.992 -1.305 1.00 50.45 H new ATOM 239 N THR A 16 12.947 -22.363 -3.854 1.00 32.44 N ATOM 240 CA THR A 16 11.740 -21.949 -4.588 1.00 61.15 C ATOM 241 C THR A 16 11.789 -20.462 -4.972 1.00 71.21 C ATOM 242 O THR A 16 12.668 -19.717 -4.525 1.00 72.13 O ATOM 243 CB THR A 16 10.451 -22.220 -3.767 1.00 50.43 C ATOM 244 OG1 THR A 16 9.287 -21.823 -4.514 1.00 73.32 O ATOM 245 CG2 THR A 16 10.478 -21.479 -2.434 1.00 10.15 C ATOM 0 H THR A 16 12.877 -22.257 -2.842 1.00 32.44 H new ATOM 0 HA THR A 16 11.715 -22.548 -5.498 1.00 61.15 H new ATOM 0 HB THR A 16 10.406 -23.291 -3.568 1.00 50.43 H new ATOM 0 HG1 THR A 16 8.482 -22.001 -3.984 1.00 73.32 H new ATOM 0 HG21 THR A 16 9.562 -21.689 -1.882 1.00 10.15 H new ATOM 0 HG22 THR A 16 11.337 -21.811 -1.851 1.00 10.15 H new ATOM 0 HG23 THR A 16 10.555 -20.407 -2.615 1.00 10.15 H new ATOM 253 N GLY A 17 10.838 -20.035 -5.798 1.00 63.53 N ATOM 254 CA GLY A 17 10.812 -18.657 -6.283 1.00 34.13 C ATOM 255 C GLY A 17 10.026 -17.703 -5.382 1.00 11.44 C ATOM 256 O GLY A 17 9.107 -18.115 -4.674 1.00 55.31 O ATOM 0 H GLY A 17 10.078 -20.620 -6.145 1.00 63.53 H new ATOM 0 HA2 GLY A 17 11.836 -18.294 -6.376 1.00 34.13 H new ATOM 0 HA3 GLY A 17 10.376 -18.641 -7.282 1.00 34.13 H new ATOM 260 N LYS A 18 10.393 -16.420 -5.408 1.00 65.52 N ATOM 261 CA LYS A 18 9.705 -15.399 -4.602 1.00 71.24 C ATOM 262 C LYS A 18 9.868 -14.000 -5.228 1.00 0.14 C ATOM 263 O LYS A 18 10.815 -13.757 -5.978 1.00 61.20 O ATOM 264 CB LYS A 18 10.230 -15.405 -3.146 1.00 63.41 C ATOM 265 CG LYS A 18 11.581 -14.709 -2.929 1.00 21.33 C ATOM 266 CD LYS A 18 12.722 -15.364 -3.709 1.00 4.02 C ATOM 267 CE LYS A 18 12.962 -16.812 -3.289 1.00 53.53 C ATOM 268 NZ LYS A 18 14.031 -17.450 -4.102 1.00 54.44 N ATOM 0 H LYS A 18 11.160 -16.060 -5.976 1.00 65.52 H new ATOM 0 HA LYS A 18 8.643 -15.643 -4.587 1.00 71.24 H new ATOM 0 HB2 LYS A 18 9.487 -14.926 -2.508 1.00 63.41 H new ATOM 0 HB3 LYS A 18 10.316 -16.439 -2.813 1.00 63.41 H new ATOM 0 HG2 LYS A 18 11.497 -13.664 -3.227 1.00 21.33 H new ATOM 0 HG3 LYS A 18 11.822 -14.719 -1.866 1.00 21.33 H new ATOM 0 HD2 LYS A 18 12.495 -15.331 -4.775 1.00 4.02 H new ATOM 0 HD3 LYS A 18 13.636 -14.790 -3.560 1.00 4.02 H new ATOM 0 HE2 LYS A 18 13.238 -16.844 -2.235 1.00 53.53 H new ATOM 0 HE3 LYS A 18 12.037 -17.379 -3.394 1.00 53.53 H new ATOM 0 HZ1 LYS A 18 13.828 -18.464 -4.208 1.00 54.44 H new ATOM 0 HZ2 LYS A 18 14.066 -17.004 -5.041 1.00 54.44 H new ATOM 0 HZ3 LYS A 18 14.948 -17.329 -3.626 1.00 54.44 H new ATOM 282 N PRO A 19 8.935 -13.065 -4.950 1.00 11.52 N ATOM 283 CA PRO A 19 9.048 -11.670 -5.422 1.00 15.12 C ATOM 284 C PRO A 19 10.265 -10.936 -4.828 1.00 53.25 C ATOM 285 O PRO A 19 11.028 -11.503 -4.041 1.00 65.13 O ATOM 286 CB PRO A 19 7.736 -11.015 -4.943 1.00 12.44 C ATOM 287 CG PRO A 19 6.816 -12.153 -4.647 1.00 5.22 C ATOM 288 CD PRO A 19 7.694 -13.284 -4.186 1.00 63.22 C ATOM 0 HA PRO A 19 9.193 -11.624 -6.501 1.00 15.12 H new ATOM 0 HB2 PRO A 19 7.902 -10.402 -4.057 1.00 12.44 H new ATOM 0 HB3 PRO A 19 7.320 -10.361 -5.709 1.00 12.44 H new ATOM 0 HG2 PRO A 19 6.093 -11.881 -3.878 1.00 5.22 H new ATOM 0 HG3 PRO A 19 6.247 -12.436 -5.533 1.00 5.22 H new ATOM 0 HD2 PRO A 19 7.869 -13.248 -3.111 1.00 63.22 H new ATOM 0 HD3 PRO A 19 7.250 -14.255 -4.404 1.00 63.22 H new ATOM 296 N GLY A 20 10.443 -9.673 -5.209 1.00 42.13 N ATOM 297 CA GLY A 20 11.541 -8.874 -4.674 1.00 11.43 C ATOM 298 C GLY A 20 11.170 -8.172 -3.371 1.00 2.44 C ATOM 299 O GLY A 20 11.526 -8.631 -2.283 1.00 15.41 O ATOM 0 H GLY A 20 9.848 -9.186 -5.879 1.00 42.13 H new ATOM 0 HA2 GLY A 20 12.405 -9.517 -4.504 1.00 11.43 H new ATOM 0 HA3 GLY A 20 11.838 -8.129 -5.413 1.00 11.43 H new ATOM 303 N ALA A 21 10.446 -7.059 -3.489 1.00 11.11 N ATOM 304 CA ALA A 21 9.979 -6.291 -2.328 1.00 23.01 C ATOM 305 C ALA A 21 9.063 -5.137 -2.762 1.00 32.22 C ATOM 306 O ALA A 21 9.238 -4.571 -3.846 1.00 13.05 O ATOM 307 CB ALA A 21 11.162 -5.746 -1.527 1.00 43.41 C ATOM 0 H ALA A 21 10.166 -6.663 -4.386 1.00 11.11 H new ATOM 0 HA ALA A 21 9.406 -6.967 -1.693 1.00 23.01 H new ATOM 0 HB1 ALA A 21 10.793 -5.180 -0.672 1.00 43.41 H new ATOM 0 HB2 ALA A 21 11.776 -6.575 -1.176 1.00 43.41 H new ATOM 0 HB3 ALA A 21 11.762 -5.094 -2.162 1.00 43.41 H new ATOM 313 N LEU A 22 8.083 -4.795 -1.923 1.00 2.22 N ATOM 314 CA LEU A 22 7.199 -3.653 -2.191 1.00 62.04 C ATOM 315 C LEU A 22 8.002 -2.343 -2.294 1.00 11.43 C ATOM 316 O LEU A 22 9.015 -2.175 -1.609 1.00 15.44 O ATOM 317 CB LEU A 22 6.131 -3.528 -1.093 1.00 25.41 C ATOM 318 CG LEU A 22 5.162 -4.716 -0.973 1.00 12.32 C ATOM 319 CD1 LEU A 22 4.111 -4.449 0.100 1.00 52.24 C ATOM 320 CD2 LEU A 22 4.497 -5.020 -2.315 1.00 43.00 C ATOM 0 H LEU A 22 7.880 -5.289 -1.054 1.00 2.22 H new ATOM 0 HA LEU A 22 6.706 -3.831 -3.147 1.00 62.04 H new ATOM 0 HB2 LEU A 22 6.634 -3.394 -0.135 1.00 25.41 H new ATOM 0 HB3 LEU A 22 5.550 -2.625 -1.277 1.00 25.41 H new ATOM 0 HG LEU A 22 5.740 -5.592 -0.677 1.00 12.32 H new ATOM 0 HD11 LEU A 22 3.436 -5.302 0.168 1.00 52.24 H new ATOM 0 HD12 LEU A 22 4.603 -4.297 1.061 1.00 52.24 H new ATOM 0 HD13 LEU A 22 3.543 -3.556 -0.162 1.00 52.24 H new ATOM 0 HD21 LEU A 22 3.817 -5.864 -2.201 1.00 43.00 H new ATOM 0 HD22 LEU A 22 3.938 -4.146 -2.650 1.00 43.00 H new ATOM 0 HD23 LEU A 22 5.261 -5.266 -3.052 1.00 43.00 H new ATOM 332 N PRO A 23 7.565 -1.403 -3.155 1.00 11.35 N ATOM 333 CA PRO A 23 8.281 -0.131 -3.387 1.00 52.44 C ATOM 334 C PRO A 23 8.628 0.627 -2.093 1.00 34.20 C ATOM 335 O PRO A 23 7.812 0.726 -1.178 1.00 41.05 O ATOM 336 CB PRO A 23 7.287 0.678 -4.231 1.00 71.14 C ATOM 337 CG PRO A 23 6.476 -0.350 -4.940 1.00 51.44 C ATOM 338 CD PRO A 23 6.340 -1.498 -3.977 1.00 44.04 C ATOM 0 HA PRO A 23 9.247 -0.300 -3.864 1.00 52.44 H new ATOM 0 HB2 PRO A 23 6.661 1.315 -3.605 1.00 71.14 H new ATOM 0 HB3 PRO A 23 7.803 1.331 -4.935 1.00 71.14 H new ATOM 0 HG2 PRO A 23 5.499 0.046 -5.218 1.00 51.44 H new ATOM 0 HG3 PRO A 23 6.965 -0.668 -5.861 1.00 51.44 H new ATOM 0 HD2 PRO A 23 5.440 -1.408 -3.369 1.00 44.04 H new ATOM 0 HD3 PRO A 23 6.278 -2.454 -4.497 1.00 44.04 H new ATOM 346 N ALA A 24 9.847 1.158 -2.015 1.00 54.53 N ATOM 347 CA ALA A 24 10.267 1.954 -0.856 1.00 14.41 C ATOM 348 C ALA A 24 9.738 3.393 -0.946 1.00 22.23 C ATOM 349 O ALA A 24 9.728 4.127 0.042 1.00 4.14 O ATOM 350 CB ALA A 24 11.788 1.949 -0.736 1.00 72.14 C ATOM 0 H ALA A 24 10.561 1.054 -2.736 1.00 54.53 H new ATOM 0 HA ALA A 24 9.841 1.499 0.039 1.00 14.41 H new ATOM 0 HB1 ALA A 24 12.087 2.543 0.128 1.00 72.14 H new ATOM 0 HB2 ALA A 24 12.140 0.925 -0.611 1.00 72.14 H new ATOM 0 HB3 ALA A 24 12.226 2.376 -1.639 1.00 72.14 H new ATOM 356 N ASN A 25 9.283 3.784 -2.136 1.00 52.53 N ATOM 357 CA ASN A 25 8.792 5.148 -2.377 1.00 53.43 C ATOM 358 C ASN A 25 7.268 5.263 -2.169 1.00 51.31 C ATOM 359 O ASN A 25 6.626 6.144 -2.742 1.00 54.31 O ATOM 360 CB ASN A 25 9.153 5.582 -3.806 1.00 61.40 C ATOM 361 CG ASN A 25 10.638 5.450 -4.094 1.00 14.21 C ATOM 362 OD1 ASN A 25 11.098 4.428 -4.599 1.00 50.52 O ATOM 363 ND2 ASN A 25 11.409 6.467 -3.759 1.00 64.02 N ATOM 0 H ASN A 25 9.243 3.176 -2.954 1.00 52.53 H new ATOM 0 HA ASN A 25 9.273 5.804 -1.652 1.00 53.43 H new ATOM 0 HB2 ASN A 25 8.592 4.977 -4.519 1.00 61.40 H new ATOM 0 HB3 ASN A 25 8.847 6.617 -3.956 1.00 61.40 H new ATOM 0 HD21 ASN A 25 12.415 6.418 -3.917 1.00 64.02 H new ATOM 0 HD22 ASN A 25 10.999 7.302 -3.342 1.00 64.02 H new ATOM 370 N LEU A 26 6.701 4.402 -1.321 1.00 23.21 N ATOM 371 CA LEU A 26 5.244 4.367 -1.089 1.00 1.02 C ATOM 372 C LEU A 26 4.654 5.754 -0.757 1.00 65.40 C ATOM 373 O LEU A 26 3.549 6.082 -1.192 1.00 23.33 O ATOM 374 CB LEU A 26 4.900 3.383 0.040 1.00 12.41 C ATOM 375 CG LEU A 26 5.167 1.900 -0.269 1.00 31.30 C ATOM 376 CD1 LEU A 26 4.806 1.017 0.924 1.00 3.02 C ATOM 377 CD2 LEU A 26 4.402 1.462 -1.517 1.00 75.45 C ATOM 0 H LEU A 26 7.225 3.715 -0.779 1.00 23.21 H new ATOM 0 HA LEU A 26 4.794 4.034 -2.024 1.00 1.02 H new ATOM 0 HB2 LEU A 26 5.471 3.660 0.926 1.00 12.41 H new ATOM 0 HB3 LEU A 26 3.846 3.500 0.291 1.00 12.41 H new ATOM 0 HG LEU A 26 6.233 1.784 -0.462 1.00 31.30 H new ATOM 0 HD11 LEU A 26 5.005 -0.026 0.678 1.00 3.02 H new ATOM 0 HD12 LEU A 26 5.406 1.307 1.786 1.00 3.02 H new ATOM 0 HD13 LEU A 26 3.749 1.139 1.160 1.00 3.02 H new ATOM 0 HD21 LEU A 26 4.605 0.410 -1.718 1.00 75.45 H new ATOM 0 HD22 LEU A 26 3.333 1.601 -1.356 1.00 75.45 H new ATOM 0 HD23 LEU A 26 4.722 2.062 -2.369 1.00 75.45 H new ATOM 389 N ASP A 27 5.380 6.563 0.014 1.00 72.45 N ATOM 390 CA ASP A 27 4.905 7.907 0.363 1.00 51.33 C ATOM 391 C ASP A 27 5.051 8.879 -0.824 1.00 41.40 C ATOM 392 O ASP A 27 4.253 9.808 -0.983 1.00 54.31 O ATOM 393 CB ASP A 27 5.648 8.442 1.592 1.00 53.11 C ATOM 394 CG ASP A 27 5.030 9.731 2.109 1.00 3.12 C ATOM 395 OD1 ASP A 27 3.810 9.740 2.378 1.00 34.41 O ATOM 396 OD2 ASP A 27 5.749 10.744 2.230 1.00 24.11 O ATOM 0 H ASP A 27 6.289 6.318 0.406 1.00 72.45 H new ATOM 0 HA ASP A 27 3.845 7.832 0.605 1.00 51.33 H new ATOM 0 HB2 ASP A 27 5.634 7.690 2.381 1.00 53.11 H new ATOM 0 HB3 ASP A 27 6.693 8.617 1.337 1.00 53.11 H new ATOM 401 N ASP A 28 6.067 8.652 -1.654 1.00 24.33 N ATOM 402 CA ASP A 28 6.273 9.442 -2.875 1.00 14.33 C ATOM 403 C ASP A 28 5.226 9.061 -3.940 1.00 34.14 C ATOM 404 O ASP A 28 4.921 9.844 -4.843 1.00 15.32 O ATOM 405 CB ASP A 28 7.696 9.223 -3.408 1.00 53.11 C ATOM 406 CG ASP A 28 8.031 10.132 -4.580 1.00 52.51 C ATOM 407 OD1 ASP A 28 8.444 11.291 -4.343 1.00 61.42 O ATOM 408 OD2 ASP A 28 7.887 9.697 -5.741 1.00 33.33 O ATOM 0 H ASP A 28 6.766 7.924 -1.505 1.00 24.33 H new ATOM 0 HA ASP A 28 6.151 10.499 -2.639 1.00 14.33 H new ATOM 0 HB2 ASP A 28 8.411 9.396 -2.604 1.00 53.11 H new ATOM 0 HB3 ASP A 28 7.808 8.184 -3.716 1.00 53.11 H new ATOM 413 N MET A 29 4.681 7.852 -3.816 1.00 41.34 N ATOM 414 CA MET A 29 3.612 7.379 -4.698 1.00 11.24 C ATOM 415 C MET A 29 2.287 8.108 -4.421 1.00 73.44 C ATOM 416 O MET A 29 2.089 8.696 -3.352 1.00 25.21 O ATOM 417 CB MET A 29 3.420 5.868 -4.527 1.00 12.11 C ATOM 418 CG MET A 29 4.609 5.039 -4.998 1.00 70.43 C ATOM 419 SD MET A 29 4.436 3.287 -4.599 1.00 61.24 S ATOM 420 CE MET A 29 2.840 2.929 -5.327 1.00 60.35 C ATOM 0 H MET A 29 4.965 7.176 -3.107 1.00 41.34 H new ATOM 0 HA MET A 29 3.907 7.596 -5.725 1.00 11.24 H new ATOM 0 HB2 MET A 29 3.232 5.652 -3.475 1.00 12.11 H new ATOM 0 HB3 MET A 29 2.532 5.559 -5.079 1.00 12.11 H new ATOM 0 HG2 MET A 29 4.722 5.153 -6.076 1.00 70.43 H new ATOM 0 HG3 MET A 29 5.520 5.424 -4.540 1.00 70.43 H new ATOM 0 HE1 MET A 29 2.519 1.931 -5.028 1.00 60.35 H new ATOM 0 HE2 MET A 29 2.111 3.662 -4.983 1.00 60.35 H new ATOM 0 HE3 MET A 29 2.917 2.975 -6.413 1.00 60.35 H new ATOM 430 N LYS A 30 1.384 8.057 -5.391 1.00 40.32 N ATOM 431 CA LYS A 30 0.091 8.739 -5.296 1.00 72.14 C ATOM 432 C LYS A 30 -1.006 7.819 -4.732 1.00 15.41 C ATOM 433 O LYS A 30 -0.912 6.591 -4.811 1.00 42.54 O ATOM 434 CB LYS A 30 -0.300 9.263 -6.684 1.00 72.22 C ATOM 435 CG LYS A 30 0.653 10.343 -7.203 1.00 13.23 C ATOM 436 CD LYS A 30 0.666 10.420 -8.727 1.00 33.41 C ATOM 437 CE LYS A 30 -0.714 10.693 -9.307 1.00 54.45 C ATOM 438 NZ LYS A 30 -0.680 10.732 -10.790 1.00 11.32 N ATOM 0 H LYS A 30 1.521 7.546 -6.263 1.00 40.32 H new ATOM 0 HA LYS A 30 0.189 9.572 -4.600 1.00 72.14 H new ATOM 0 HB2 LYS A 30 -0.318 8.432 -7.389 1.00 72.22 H new ATOM 0 HB3 LYS A 30 -1.311 9.667 -6.643 1.00 72.22 H new ATOM 0 HG2 LYS A 30 0.359 11.310 -6.795 1.00 13.23 H new ATOM 0 HG3 LYS A 30 1.661 10.138 -6.843 1.00 13.23 H new ATOM 0 HD2 LYS A 30 1.351 11.207 -9.042 1.00 33.41 H new ATOM 0 HD3 LYS A 30 1.048 9.483 -9.132 1.00 33.41 H new ATOM 0 HE2 LYS A 30 -1.408 9.920 -8.978 1.00 54.45 H new ATOM 0 HE3 LYS A 30 -1.090 11.642 -8.925 1.00 54.45 H new ATOM 0 HZ1 LYS A 30 -1.636 10.920 -11.154 1.00 11.32 H new ATOM 0 HZ2 LYS A 30 -0.036 11.486 -11.103 1.00 11.32 H new ATOM 0 HZ3 LYS A 30 -0.345 9.817 -11.154 1.00 11.32 H new ATOM 452 N VAL A 31 -2.055 8.432 -4.183 1.00 44.24 N ATOM 453 CA VAL A 31 -3.153 7.699 -3.530 1.00 43.03 C ATOM 454 C VAL A 31 -3.736 6.594 -4.433 1.00 1.14 C ATOM 455 O VAL A 31 -3.913 5.450 -4.003 1.00 51.21 O ATOM 456 CB VAL A 31 -4.291 8.667 -3.111 1.00 20.11 C ATOM 457 CG1 VAL A 31 -5.409 7.916 -2.393 1.00 41.32 C ATOM 458 CG2 VAL A 31 -3.745 9.795 -2.234 1.00 25.14 C ATOM 0 H VAL A 31 -2.172 9.445 -4.175 1.00 44.24 H new ATOM 0 HA VAL A 31 -2.726 7.227 -2.645 1.00 43.03 H new ATOM 0 HB VAL A 31 -4.709 9.109 -4.015 1.00 20.11 H new ATOM 0 HG11 VAL A 31 -6.194 8.617 -2.110 1.00 41.32 H new ATOM 0 HG12 VAL A 31 -5.822 7.157 -3.057 1.00 41.32 H new ATOM 0 HG13 VAL A 31 -5.010 7.437 -1.499 1.00 41.32 H new ATOM 0 HG21 VAL A 31 -4.559 10.462 -1.951 1.00 25.14 H new ATOM 0 HG22 VAL A 31 -3.294 9.372 -1.336 1.00 25.14 H new ATOM 0 HG23 VAL A 31 -2.992 10.355 -2.789 1.00 25.14 H new ATOM 468 N ALA A 32 -4.022 6.940 -5.685 1.00 24.13 N ATOM 469 CA ALA A 32 -4.580 5.986 -6.655 1.00 73.41 C ATOM 470 C ALA A 32 -3.625 4.810 -6.916 1.00 23.23 C ATOM 471 O ALA A 32 -4.058 3.669 -7.090 1.00 45.40 O ATOM 472 CB ALA A 32 -4.909 6.700 -7.963 1.00 12.40 C ATOM 0 H ALA A 32 -3.878 7.878 -6.059 1.00 24.13 H new ATOM 0 HA ALA A 32 -5.495 5.576 -6.227 1.00 73.41 H new ATOM 0 HB1 ALA A 32 -5.322 5.984 -8.674 1.00 12.40 H new ATOM 0 HB2 ALA A 32 -5.640 7.487 -7.774 1.00 12.40 H new ATOM 0 HB3 ALA A 32 -4.001 7.140 -8.376 1.00 12.40 H new ATOM 478 N GLU A 33 -2.323 5.096 -6.919 1.00 44.32 N ATOM 479 CA GLU A 33 -1.301 4.072 -7.179 1.00 65.14 C ATOM 480 C GLU A 33 -1.170 3.107 -5.992 1.00 34.53 C ATOM 481 O GLU A 33 -0.931 1.909 -6.171 1.00 5.32 O ATOM 482 CB GLU A 33 0.049 4.743 -7.472 1.00 44.32 C ATOM 483 CG GLU A 33 -0.021 5.793 -8.578 1.00 54.11 C ATOM 484 CD GLU A 33 1.339 6.368 -8.940 1.00 33.01 C ATOM 485 OE1 GLU A 33 2.001 6.944 -8.054 1.00 10.02 O ATOM 486 OE2 GLU A 33 1.747 6.250 -10.117 1.00 10.04 O ATOM 0 H GLU A 33 -1.947 6.028 -6.745 1.00 44.32 H new ATOM 0 HA GLU A 33 -1.610 3.493 -8.049 1.00 65.14 H new ATOM 0 HB2 GLU A 33 0.419 5.211 -6.560 1.00 44.32 H new ATOM 0 HB3 GLU A 33 0.773 3.978 -7.753 1.00 44.32 H new ATOM 0 HG2 GLU A 33 -0.469 5.347 -9.466 1.00 54.11 H new ATOM 0 HG3 GLU A 33 -0.679 6.603 -8.261 1.00 54.11 H new ATOM 493 N LEU A 34 -1.330 3.639 -4.784 1.00 14.22 N ATOM 494 CA LEU A 34 -1.350 2.820 -3.568 1.00 3.40 C ATOM 495 C LEU A 34 -2.577 1.894 -3.551 1.00 52.43 C ATOM 496 O LEU A 34 -2.458 0.687 -3.337 1.00 34.12 O ATOM 497 CB LEU A 34 -1.356 3.721 -2.323 1.00 51.41 C ATOM 498 CG LEU A 34 -0.128 4.634 -2.162 1.00 51.14 C ATOM 499 CD1 LEU A 34 -0.317 5.594 -0.986 1.00 4.15 C ATOM 500 CD2 LEU A 34 1.143 3.800 -1.987 1.00 65.14 C ATOM 0 H LEU A 34 -1.449 4.638 -4.617 1.00 14.22 H new ATOM 0 HA LEU A 34 -0.452 2.202 -3.559 1.00 3.40 H new ATOM 0 HB2 LEU A 34 -2.250 4.344 -2.351 1.00 51.41 H new ATOM 0 HB3 LEU A 34 -1.436 3.089 -1.439 1.00 51.41 H new ATOM 0 HG LEU A 34 -0.022 5.229 -3.069 1.00 51.14 H new ATOM 0 HD11 LEU A 34 0.563 6.230 -0.890 1.00 4.15 H new ATOM 0 HD12 LEU A 34 -1.196 6.214 -1.160 1.00 4.15 H new ATOM 0 HD13 LEU A 34 -0.453 5.022 -0.068 1.00 4.15 H new ATOM 0 HD21 LEU A 34 2.001 4.463 -1.875 1.00 65.14 H new ATOM 0 HD22 LEU A 34 1.049 3.175 -1.099 1.00 65.14 H new ATOM 0 HD23 LEU A 34 1.286 3.167 -2.863 1.00 65.14 H new ATOM 512 N LYS A 35 -3.758 2.474 -3.786 1.00 74.43 N ATOM 513 CA LYS A 35 -5.003 1.700 -3.893 1.00 64.51 C ATOM 514 C LYS A 35 -4.884 0.595 -4.955 1.00 31.03 C ATOM 515 O LYS A 35 -5.337 -0.533 -4.752 1.00 25.44 O ATOM 516 CB LYS A 35 -6.172 2.628 -4.255 1.00 25.12 C ATOM 517 CG LYS A 35 -6.575 3.603 -3.150 1.00 73.11 C ATOM 518 CD LYS A 35 -7.590 4.625 -3.660 1.00 73.53 C ATOM 519 CE LYS A 35 -8.135 5.512 -2.544 1.00 33.24 C ATOM 520 NZ LYS A 35 -9.074 4.781 -1.652 1.00 43.31 N ATOM 0 H LYS A 35 -3.880 3.479 -3.906 1.00 74.43 H new ATOM 0 HA LYS A 35 -5.188 1.233 -2.926 1.00 64.51 H new ATOM 0 HB2 LYS A 35 -5.904 3.198 -5.145 1.00 25.12 H new ATOM 0 HB3 LYS A 35 -7.036 2.017 -4.516 1.00 25.12 H new ATOM 0 HG2 LYS A 35 -7.000 3.051 -2.311 1.00 73.11 H new ATOM 0 HG3 LYS A 35 -5.691 4.119 -2.776 1.00 73.11 H new ATOM 0 HD2 LYS A 35 -7.121 5.250 -4.421 1.00 73.53 H new ATOM 0 HD3 LYS A 35 -8.417 4.103 -4.141 1.00 73.53 H new ATOM 0 HE2 LYS A 35 -7.305 5.901 -1.954 1.00 33.24 H new ATOM 0 HE3 LYS A 35 -8.646 6.370 -2.981 1.00 33.24 H new ATOM 0 HZ1 LYS A 35 -9.596 5.462 -1.065 1.00 43.31 H new ATOM 0 HZ2 LYS A 35 -9.746 4.234 -2.228 1.00 43.31 H new ATOM 0 HZ3 LYS A 35 -8.538 4.135 -1.039 1.00 43.31 H new ATOM 534 N GLN A 36 -4.267 0.940 -6.084 1.00 65.30 N ATOM 535 CA GLN A 36 -4.080 0.007 -7.202 1.00 15.42 C ATOM 536 C GLN A 36 -3.342 -1.266 -6.751 1.00 5.13 C ATOM 537 O GLN A 36 -3.767 -2.383 -7.051 1.00 24.35 O ATOM 538 CB GLN A 36 -3.315 0.729 -8.332 1.00 5.33 C ATOM 539 CG GLN A 36 -3.213 -0.034 -9.655 1.00 1.14 C ATOM 540 CD GLN A 36 -2.089 -1.060 -9.696 1.00 70.22 C ATOM 541 OE1 GLN A 36 -1.062 -0.908 -9.045 1.00 35.02 O ATOM 542 NE2 GLN A 36 -2.268 -2.104 -10.480 1.00 30.20 N ATOM 0 H GLN A 36 -3.883 1.870 -6.253 1.00 65.30 H new ATOM 0 HA GLN A 36 -5.055 -0.310 -7.573 1.00 15.42 H new ATOM 0 HB2 GLN A 36 -3.801 1.686 -8.522 1.00 5.33 H new ATOM 0 HB3 GLN A 36 -2.307 0.948 -7.981 1.00 5.33 H new ATOM 0 HG2 GLN A 36 -4.160 -0.540 -9.844 1.00 1.14 H new ATOM 0 HG3 GLN A 36 -3.067 0.681 -10.464 1.00 1.14 H new ATOM 0 HE21 GLN A 36 -3.134 -2.202 -11.009 1.00 30.20 H new ATOM 0 HE22 GLN A 36 -1.540 -2.814 -10.558 1.00 30.20 H new ATOM 551 N GLU A 37 -2.243 -1.092 -6.020 1.00 45.05 N ATOM 552 CA GLU A 37 -1.475 -2.227 -5.497 1.00 42.23 C ATOM 553 C GLU A 37 -2.222 -2.961 -4.370 1.00 63.04 C ATOM 554 O GLU A 37 -2.186 -4.192 -4.286 1.00 14.35 O ATOM 555 CB GLU A 37 -0.098 -1.763 -5.006 1.00 34.43 C ATOM 556 CG GLU A 37 0.873 -1.435 -6.135 1.00 41.10 C ATOM 557 CD GLU A 37 2.296 -1.180 -5.654 1.00 42.22 C ATOM 558 OE1 GLU A 37 2.811 -1.987 -4.849 1.00 11.52 O ATOM 559 OE2 GLU A 37 2.910 -0.185 -6.100 1.00 11.14 O ATOM 0 H GLU A 37 -1.862 -0.178 -5.775 1.00 45.05 H new ATOM 0 HA GLU A 37 -1.344 -2.933 -6.317 1.00 42.23 H new ATOM 0 HB2 GLU A 37 -0.224 -0.881 -4.378 1.00 34.43 H new ATOM 0 HB3 GLU A 37 0.336 -2.542 -4.379 1.00 34.43 H new ATOM 0 HG2 GLU A 37 0.881 -2.259 -6.849 1.00 41.10 H new ATOM 0 HG3 GLU A 37 0.514 -0.555 -6.668 1.00 41.10 H new ATOM 566 N LEU A 38 -2.894 -2.207 -3.504 1.00 24.12 N ATOM 567 CA LEU A 38 -3.698 -2.798 -2.428 1.00 45.52 C ATOM 568 C LEU A 38 -4.744 -3.778 -2.978 1.00 0.23 C ATOM 569 O LEU A 38 -4.794 -4.942 -2.573 1.00 15.13 O ATOM 570 CB LEU A 38 -4.407 -1.703 -1.624 1.00 24.21 C ATOM 571 CG LEU A 38 -3.512 -0.864 -0.702 1.00 73.03 C ATOM 572 CD1 LEU A 38 -4.292 0.307 -0.124 1.00 4.22 C ATOM 573 CD2 LEU A 38 -2.940 -1.722 0.422 1.00 3.14 C ATOM 0 H LEU A 38 -2.900 -1.187 -3.523 1.00 24.12 H new ATOM 0 HA LEU A 38 -3.015 -3.346 -1.779 1.00 45.52 H new ATOM 0 HB2 LEU A 38 -4.907 -1.032 -2.323 1.00 24.21 H new ATOM 0 HB3 LEU A 38 -5.184 -2.169 -1.018 1.00 24.21 H new ATOM 0 HG LEU A 38 -2.684 -0.474 -1.294 1.00 73.03 H new ATOM 0 HD11 LEU A 38 -3.642 0.891 0.527 1.00 4.22 H new ATOM 0 HD12 LEU A 38 -4.655 0.938 -0.935 1.00 4.22 H new ATOM 0 HD13 LEU A 38 -5.139 -0.068 0.451 1.00 4.22 H new ATOM 0 HD21 LEU A 38 -2.309 -1.107 1.064 1.00 3.14 H new ATOM 0 HD22 LEU A 38 -3.756 -2.142 1.010 1.00 3.14 H new ATOM 0 HD23 LEU A 38 -2.346 -2.531 -0.004 1.00 3.14 H new ATOM 585 N LYS A 39 -5.561 -3.304 -3.915 1.00 32.33 N ATOM 586 CA LYS A 39 -6.674 -4.096 -4.450 1.00 72.04 C ATOM 587 C LYS A 39 -6.189 -5.361 -5.185 1.00 31.32 C ATOM 588 O LYS A 39 -6.914 -6.352 -5.267 1.00 4.33 O ATOM 589 CB LYS A 39 -7.546 -3.224 -5.369 1.00 60.43 C ATOM 590 CG LYS A 39 -6.914 -2.871 -6.711 1.00 3.14 C ATOM 591 CD LYS A 39 -7.758 -1.846 -7.467 1.00 34.52 C ATOM 592 CE LYS A 39 -9.199 -2.318 -7.652 1.00 50.53 C ATOM 593 NZ LYS A 39 -10.051 -1.277 -8.276 1.00 71.23 N ATOM 0 H LYS A 39 -5.476 -2.373 -4.323 1.00 32.33 H new ATOM 0 HA LYS A 39 -7.275 -4.436 -3.607 1.00 72.04 H new ATOM 0 HB2 LYS A 39 -8.487 -3.743 -5.553 1.00 60.43 H new ATOM 0 HB3 LYS A 39 -7.789 -2.300 -4.845 1.00 60.43 H new ATOM 0 HG2 LYS A 39 -5.912 -2.473 -6.551 1.00 3.14 H new ATOM 0 HG3 LYS A 39 -6.806 -3.773 -7.314 1.00 3.14 H new ATOM 0 HD2 LYS A 39 -7.753 -0.901 -6.924 1.00 34.52 H new ATOM 0 HD3 LYS A 39 -7.310 -1.656 -8.443 1.00 34.52 H new ATOM 0 HE2 LYS A 39 -9.210 -3.214 -8.272 1.00 50.53 H new ATOM 0 HE3 LYS A 39 -9.616 -2.595 -6.684 1.00 50.53 H new ATOM 0 HZ1 LYS A 39 -11.020 -1.640 -8.383 1.00 71.23 H new ATOM 0 HZ2 LYS A 39 -10.063 -0.430 -7.672 1.00 71.23 H new ATOM 0 HZ3 LYS A 39 -9.669 -1.030 -9.211 1.00 71.23 H new ATOM 607 N LEU A 40 -4.959 -5.333 -5.704 1.00 53.34 N ATOM 608 CA LEU A 40 -4.366 -6.521 -6.336 1.00 0.21 C ATOM 609 C LEU A 40 -3.993 -7.581 -5.286 1.00 3.53 C ATOM 610 O LEU A 40 -4.004 -8.778 -5.568 1.00 40.21 O ATOM 611 CB LEU A 40 -3.132 -6.138 -7.162 1.00 43.24 C ATOM 612 CG LEU A 40 -3.405 -5.207 -8.355 1.00 72.22 C ATOM 613 CD1 LEU A 40 -2.134 -4.980 -9.166 1.00 74.30 C ATOM 614 CD2 LEU A 40 -4.529 -5.758 -9.232 1.00 4.10 C ATOM 0 H LEU A 40 -4.356 -4.510 -5.701 1.00 53.34 H new ATOM 0 HA LEU A 40 -5.114 -6.949 -7.003 1.00 0.21 H new ATOM 0 HB2 LEU A 40 -2.409 -5.656 -6.504 1.00 43.24 H new ATOM 0 HB3 LEU A 40 -2.666 -7.051 -7.533 1.00 43.24 H new ATOM 0 HG LEU A 40 -3.731 -4.242 -7.966 1.00 72.22 H new ATOM 0 HD11 LEU A 40 -2.351 -4.319 -10.005 1.00 74.30 H new ATOM 0 HD12 LEU A 40 -1.374 -4.524 -8.531 1.00 74.30 H new ATOM 0 HD13 LEU A 40 -1.767 -5.935 -9.542 1.00 74.30 H new ATOM 0 HD21 LEU A 40 -4.703 -5.081 -10.069 1.00 4.10 H new ATOM 0 HD22 LEU A 40 -4.246 -6.740 -9.612 1.00 4.10 H new ATOM 0 HD23 LEU A 40 -5.441 -5.847 -8.642 1.00 4.10 H new ATOM 626 N ARG A 41 -3.656 -7.127 -4.079 1.00 11.30 N ATOM 627 CA ARG A 41 -3.405 -8.036 -2.949 1.00 54.33 C ATOM 628 C ARG A 41 -4.650 -8.167 -2.050 1.00 61.41 C ATOM 629 O ARG A 41 -4.555 -8.622 -0.908 1.00 61.32 O ATOM 630 CB ARG A 41 -2.191 -7.571 -2.118 1.00 41.23 C ATOM 631 CG ARG A 41 -0.835 -7.961 -2.716 1.00 24.32 C ATOM 632 CD ARG A 41 -0.419 -7.071 -3.885 1.00 62.23 C ATOM 633 NE ARG A 41 0.072 -5.766 -3.440 1.00 4.04 N ATOM 634 CZ ARG A 41 1.062 -5.124 -4.008 1.00 24.23 C ATOM 635 NH1 ARG A 41 1.690 -5.630 -5.019 1.00 5.44 N ATOM 636 NH2 ARG A 41 1.436 -3.977 -3.549 1.00 20.34 N ATOM 0 H ARG A 41 -3.549 -6.138 -3.854 1.00 11.30 H new ATOM 0 HA ARG A 41 -3.180 -9.018 -3.366 1.00 54.33 H new ATOM 0 HB2 ARG A 41 -2.231 -6.487 -2.012 1.00 41.23 H new ATOM 0 HB3 ARG A 41 -2.268 -7.992 -1.116 1.00 41.23 H new ATOM 0 HG2 ARG A 41 -0.073 -7.909 -1.938 1.00 24.32 H new ATOM 0 HG3 ARG A 41 -0.877 -8.997 -3.053 1.00 24.32 H new ATOM 0 HD2 ARG A 41 0.358 -7.572 -4.462 1.00 62.23 H new ATOM 0 HD3 ARG A 41 -1.270 -6.929 -4.552 1.00 62.23 H new ATOM 0 HE ARG A 41 -0.385 -5.330 -2.639 1.00 4.04 H new ATOM 0 HH11 ARG A 41 1.416 -6.542 -5.385 1.00 5.44 H new ATOM 0 HH12 ARG A 41 2.459 -5.117 -5.450 1.00 5.44 H new ATOM 0 HH21 ARG A 41 0.960 -3.570 -2.744 1.00 20.34 H new ATOM 0 HH22 ARG A 41 2.207 -3.477 -3.992 1.00 20.34 H new ATOM 650 N SER A 42 -5.814 -7.767 -2.582 1.00 73.20 N ATOM 651 CA SER A 42 -7.110 -7.886 -1.877 1.00 5.14 C ATOM 652 C SER A 42 -7.167 -7.040 -0.590 1.00 54.41 C ATOM 653 O SER A 42 -8.046 -7.231 0.255 1.00 13.31 O ATOM 654 CB SER A 42 -7.413 -9.356 -1.550 1.00 34.15 C ATOM 655 OG SER A 42 -8.706 -9.511 -0.972 1.00 41.14 O ATOM 0 H SER A 42 -5.890 -7.352 -3.511 1.00 73.20 H new ATOM 0 HA SER A 42 -7.870 -7.498 -2.555 1.00 5.14 H new ATOM 0 HB2 SER A 42 -7.347 -9.952 -2.460 1.00 34.15 H new ATOM 0 HB3 SER A 42 -6.659 -9.739 -0.863 1.00 34.15 H new ATOM 0 HG SER A 42 -8.896 -8.749 -0.386 1.00 41.14 H new ATOM 661 N LEU A 43 -6.246 -6.093 -0.461 1.00 74.43 N ATOM 662 CA LEU A 43 -6.163 -5.232 0.725 1.00 34.42 C ATOM 663 C LEU A 43 -7.199 -4.090 0.681 1.00 41.21 C ATOM 664 O LEU A 43 -7.394 -3.460 -0.362 1.00 44.15 O ATOM 665 CB LEU A 43 -4.743 -4.658 0.832 1.00 4.54 C ATOM 666 CG LEU A 43 -3.650 -5.671 1.216 1.00 11.34 C ATOM 667 CD1 LEU A 43 -2.258 -5.117 0.923 1.00 34.22 C ATOM 668 CD2 LEU A 43 -3.776 -6.037 2.690 1.00 34.45 C ATOM 0 H LEU A 43 -5.537 -5.896 -1.168 1.00 74.43 H new ATOM 0 HA LEU A 43 -6.388 -5.837 1.604 1.00 34.42 H new ATOM 0 HB2 LEU A 43 -4.478 -4.208 -0.125 1.00 4.54 H new ATOM 0 HB3 LEU A 43 -4.748 -3.857 1.571 1.00 4.54 H new ATOM 0 HG LEU A 43 -3.787 -6.568 0.612 1.00 11.34 H new ATOM 0 HD11 LEU A 43 -1.506 -5.854 1.204 1.00 34.22 H new ATOM 0 HD12 LEU A 43 -2.170 -4.897 -0.141 1.00 34.22 H new ATOM 0 HD13 LEU A 43 -2.102 -4.203 1.496 1.00 34.22 H new ATOM 0 HD21 LEU A 43 -2.999 -6.754 2.954 1.00 34.45 H new ATOM 0 HD22 LEU A 43 -3.664 -5.140 3.299 1.00 34.45 H new ATOM 0 HD23 LEU A 43 -4.755 -6.479 2.873 1.00 34.45 H new ATOM 680 N PRO A 44 -7.885 -3.819 1.817 1.00 61.53 N ATOM 681 CA PRO A 44 -8.883 -2.730 1.914 1.00 54.41 C ATOM 682 C PRO A 44 -8.314 -1.348 1.534 1.00 34.13 C ATOM 683 O PRO A 44 -7.370 -0.856 2.154 1.00 2.00 O ATOM 684 CB PRO A 44 -9.297 -2.759 3.396 1.00 32.20 C ATOM 685 CG PRO A 44 -8.997 -4.150 3.844 1.00 21.23 C ATOM 686 CD PRO A 44 -7.763 -4.563 3.089 1.00 44.13 C ATOM 0 HA PRO A 44 -9.709 -2.881 1.219 1.00 54.41 H new ATOM 0 HB2 PRO A 44 -8.738 -2.026 3.978 1.00 32.20 H new ATOM 0 HB3 PRO A 44 -10.354 -2.523 3.517 1.00 32.20 H new ATOM 0 HG2 PRO A 44 -8.828 -4.187 4.920 1.00 21.23 H new ATOM 0 HG3 PRO A 44 -9.830 -4.819 3.629 1.00 21.23 H new ATOM 0 HD2 PRO A 44 -6.853 -4.296 3.627 1.00 44.13 H new ATOM 0 HD3 PRO A 44 -7.732 -5.640 2.925 1.00 44.13 H new ATOM 694 N VAL A 45 -8.910 -0.720 0.517 1.00 10.42 N ATOM 695 CA VAL A 45 -8.423 0.570 -0.003 1.00 54.03 C ATOM 696 C VAL A 45 -9.154 1.778 0.620 1.00 55.33 C ATOM 697 O VAL A 45 -8.983 2.911 0.167 1.00 42.15 O ATOM 698 CB VAL A 45 -8.573 0.636 -1.549 1.00 3.11 C ATOM 699 CG1 VAL A 45 -7.719 -0.436 -2.221 1.00 41.12 C ATOM 700 CG2 VAL A 45 -10.040 0.499 -1.963 1.00 2.22 C ATOM 0 H VAL A 45 -9.732 -1.081 0.034 1.00 10.42 H new ATOM 0 HA VAL A 45 -7.371 0.629 0.275 1.00 54.03 H new ATOM 0 HB VAL A 45 -8.219 1.612 -1.881 1.00 3.11 H new ATOM 0 HG11 VAL A 45 -7.839 -0.372 -3.302 1.00 41.12 H new ATOM 0 HG12 VAL A 45 -6.671 -0.282 -1.962 1.00 41.12 H new ATOM 0 HG13 VAL A 45 -8.036 -1.421 -1.879 1.00 41.12 H new ATOM 0 HG21 VAL A 45 -10.118 0.548 -3.049 1.00 2.22 H new ATOM 0 HG22 VAL A 45 -10.429 -0.458 -1.615 1.00 2.22 H new ATOM 0 HG23 VAL A 45 -10.620 1.309 -1.521 1.00 2.22 H new ATOM 710 N SER A 46 -9.949 1.534 1.663 1.00 63.01 N ATOM 711 CA SER A 46 -10.765 2.592 2.294 1.00 22.22 C ATOM 712 C SER A 46 -9.932 3.570 3.145 1.00 74.33 C ATOM 713 O SER A 46 -10.354 4.701 3.391 1.00 25.24 O ATOM 714 CB SER A 46 -11.860 1.965 3.165 1.00 22.42 C ATOM 715 OG SER A 46 -12.696 2.952 3.748 1.00 21.10 O ATOM 0 H SER A 46 -10.050 0.615 2.094 1.00 63.01 H new ATOM 0 HA SER A 46 -11.209 3.167 1.481 1.00 22.22 H new ATOM 0 HB2 SER A 46 -12.463 1.288 2.560 1.00 22.42 H new ATOM 0 HB3 SER A 46 -11.401 1.366 3.952 1.00 22.42 H new ATOM 0 HG SER A 46 -13.383 2.517 4.295 1.00 21.10 H new ATOM 721 N GLY A 47 -8.752 3.140 3.589 1.00 53.15 N ATOM 722 CA GLY A 47 -7.923 3.978 4.460 1.00 43.22 C ATOM 723 C GLY A 47 -7.348 5.221 3.769 1.00 22.55 C ATOM 724 O GLY A 47 -7.421 5.357 2.548 1.00 14.13 O ATOM 0 H GLY A 47 -8.351 2.229 3.365 1.00 53.15 H new ATOM 0 HA2 GLY A 47 -8.519 4.294 5.316 1.00 43.22 H new ATOM 0 HA3 GLY A 47 -7.100 3.378 4.848 1.00 43.22 H new ATOM 728 N THR A 48 -6.778 6.133 4.561 1.00 60.34 N ATOM 729 CA THR A 48 -6.129 7.346 4.029 1.00 74.12 C ATOM 730 C THR A 48 -4.779 7.013 3.387 1.00 22.31 C ATOM 731 O THR A 48 -4.277 5.902 3.538 1.00 3.44 O ATOM 732 CB THR A 48 -5.887 8.394 5.140 1.00 22.40 C ATOM 733 OG1 THR A 48 -4.950 7.880 6.100 1.00 25.14 O ATOM 734 CG2 THR A 48 -7.190 8.766 5.842 1.00 45.11 C ATOM 0 H THR A 48 -6.750 6.058 5.578 1.00 60.34 H new ATOM 0 HA THR A 48 -6.807 7.757 3.281 1.00 74.12 H new ATOM 0 HB THR A 48 -5.481 9.292 4.675 1.00 22.40 H new ATOM 0 HG1 THR A 48 -4.799 8.549 6.800 1.00 25.14 H new ATOM 0 HG21 THR A 48 -6.987 9.504 6.618 1.00 45.11 H new ATOM 0 HG22 THR A 48 -7.888 9.184 5.116 1.00 45.11 H new ATOM 0 HG23 THR A 48 -7.627 7.876 6.294 1.00 45.11 H new ATOM 742 N LYS A 49 -4.179 7.985 2.692 1.00 21.20 N ATOM 743 CA LYS A 49 -2.892 7.781 2.009 1.00 3.41 C ATOM 744 C LYS A 49 -1.852 7.108 2.924 1.00 65.45 C ATOM 745 O LYS A 49 -1.161 6.175 2.510 1.00 3.32 O ATOM 746 CB LYS A 49 -2.350 9.122 1.492 1.00 20.50 C ATOM 747 CG LYS A 49 -1.004 9.022 0.770 1.00 22.31 C ATOM 748 CD LYS A 49 -0.560 10.369 0.199 1.00 72.33 C ATOM 749 CE LYS A 49 0.809 10.282 -0.472 1.00 71.04 C ATOM 750 NZ LYS A 49 1.888 9.955 0.496 1.00 35.04 N ATOM 0 H LYS A 49 -4.563 8.924 2.586 1.00 21.20 H new ATOM 0 HA LYS A 49 -3.071 7.111 1.168 1.00 3.41 H new ATOM 0 HB2 LYS A 49 -3.082 9.558 0.812 1.00 20.50 H new ATOM 0 HB3 LYS A 49 -2.248 9.808 2.333 1.00 20.50 H new ATOM 0 HG2 LYS A 49 -0.247 8.655 1.463 1.00 22.31 H new ATOM 0 HG3 LYS A 49 -1.078 8.293 -0.037 1.00 22.31 H new ATOM 0 HD2 LYS A 49 -1.297 10.717 -0.525 1.00 72.33 H new ATOM 0 HD3 LYS A 49 -0.525 11.108 0.999 1.00 72.33 H new ATOM 0 HE2 LYS A 49 0.781 9.522 -1.253 1.00 71.04 H new ATOM 0 HE3 LYS A 49 1.035 11.231 -0.958 1.00 71.04 H new ATOM 0 HZ1 LYS A 49 2.814 10.104 0.047 1.00 35.04 H new ATOM 0 HZ2 LYS A 49 1.804 10.570 1.330 1.00 35.04 H new ATOM 0 HZ3 LYS A 49 1.802 8.961 0.789 1.00 35.04 H new ATOM 764 N THR A 50 -1.750 7.577 4.167 1.00 11.44 N ATOM 765 CA THR A 50 -0.828 6.976 5.144 1.00 42.11 C ATOM 766 C THR A 50 -1.228 5.531 5.473 1.00 13.02 C ATOM 767 O THR A 50 -0.381 4.637 5.528 1.00 41.45 O ATOM 768 CB THR A 50 -0.769 7.795 6.461 1.00 64.23 C ATOM 769 OG1 THR A 50 -0.317 9.136 6.194 1.00 31.42 O ATOM 770 CG2 THR A 50 0.157 7.140 7.483 1.00 33.11 C ATOM 0 H THR A 50 -2.288 8.366 4.525 1.00 11.44 H new ATOM 0 HA THR A 50 0.158 6.982 4.680 1.00 42.11 H new ATOM 0 HB THR A 50 -1.776 7.824 6.877 1.00 64.23 H new ATOM 0 HG1 THR A 50 -0.285 9.643 7.032 1.00 31.42 H new ATOM 0 HG21 THR A 50 0.176 7.739 8.394 1.00 33.11 H new ATOM 0 HG22 THR A 50 -0.207 6.139 7.714 1.00 33.11 H new ATOM 0 HG23 THR A 50 1.164 7.074 7.072 1.00 33.11 H new ATOM 778 N GLU A 51 -2.526 5.306 5.677 1.00 22.13 N ATOM 779 CA GLU A 51 -3.039 3.968 6.002 1.00 44.43 C ATOM 780 C GLU A 51 -2.821 2.983 4.842 1.00 74.43 C ATOM 781 O GLU A 51 -2.564 1.800 5.064 1.00 72.25 O ATOM 782 CB GLU A 51 -4.531 4.039 6.366 1.00 2.41 C ATOM 783 CG GLU A 51 -4.823 4.909 7.585 1.00 54.04 C ATOM 784 CD GLU A 51 -6.295 4.910 7.974 1.00 14.10 C ATOM 785 OE1 GLU A 51 -7.057 5.744 7.449 1.00 63.34 O ATOM 786 OE2 GLU A 51 -6.697 4.067 8.802 1.00 61.23 O ATOM 0 H GLU A 51 -3.243 6.029 5.624 1.00 22.13 H new ATOM 0 HA GLU A 51 -2.481 3.600 6.863 1.00 44.43 H new ATOM 0 HB2 GLU A 51 -5.086 4.427 5.512 1.00 2.41 H new ATOM 0 HB3 GLU A 51 -4.899 3.030 6.554 1.00 2.41 H new ATOM 0 HG2 GLU A 51 -4.230 4.555 8.428 1.00 54.04 H new ATOM 0 HG3 GLU A 51 -4.506 5.931 7.380 1.00 54.04 H new ATOM 793 N LEU A 52 -2.918 3.478 3.605 1.00 35.12 N ATOM 794 CA LEU A 52 -2.654 2.656 2.414 1.00 53.43 C ATOM 795 C LEU A 52 -1.197 2.164 2.417 1.00 72.25 C ATOM 796 O LEU A 52 -0.913 0.993 2.150 1.00 0.55 O ATOM 797 CB LEU A 52 -2.926 3.458 1.128 1.00 54.42 C ATOM 798 CG LEU A 52 -4.297 4.155 1.049 1.00 42.12 C ATOM 799 CD1 LEU A 52 -4.470 4.856 -0.296 1.00 10.44 C ATOM 800 CD2 LEU A 52 -5.442 3.173 1.296 1.00 54.04 C ATOM 0 H LEU A 52 -3.177 4.443 3.399 1.00 35.12 H new ATOM 0 HA LEU A 52 -3.323 1.796 2.441 1.00 53.43 H new ATOM 0 HB2 LEU A 52 -2.148 4.215 1.023 1.00 54.42 H new ATOM 0 HB3 LEU A 52 -2.832 2.785 0.276 1.00 54.42 H new ATOM 0 HG LEU A 52 -4.330 4.906 1.838 1.00 42.12 H new ATOM 0 HD11 LEU A 52 -5.445 5.342 -0.330 1.00 10.44 H new ATOM 0 HD12 LEU A 52 -3.687 5.604 -0.420 1.00 10.44 H new ATOM 0 HD13 LEU A 52 -4.401 4.123 -1.100 1.00 10.44 H new ATOM 0 HD21 LEU A 52 -6.394 3.700 1.232 1.00 54.04 H new ATOM 0 HD22 LEU A 52 -5.413 2.384 0.544 1.00 54.04 H new ATOM 0 HD23 LEU A 52 -5.336 2.733 2.288 1.00 54.04 H new ATOM 812 N ILE A 53 -0.282 3.080 2.735 1.00 3.44 N ATOM 813 CA ILE A 53 1.145 2.768 2.867 1.00 14.22 C ATOM 814 C ILE A 53 1.390 1.728 3.976 1.00 21.30 C ATOM 815 O ILE A 53 2.045 0.704 3.758 1.00 22.10 O ATOM 816 CB ILE A 53 1.953 4.053 3.185 1.00 73.20 C ATOM 817 CG1 ILE A 53 1.761 5.099 2.076 1.00 45.41 C ATOM 818 CG2 ILE A 53 3.435 3.733 3.377 1.00 73.12 C ATOM 819 CD1 ILE A 53 2.397 6.439 2.377 1.00 42.32 C ATOM 0 H ILE A 53 -0.507 4.060 2.909 1.00 3.44 H new ATOM 0 HA ILE A 53 1.478 2.352 1.916 1.00 14.22 H new ATOM 0 HB ILE A 53 1.576 4.469 4.119 1.00 73.20 H new ATOM 0 HG12 ILE A 53 2.179 4.710 1.148 1.00 45.41 H new ATOM 0 HG13 ILE A 53 0.694 5.244 1.909 1.00 45.41 H new ATOM 0 HG21 ILE A 53 3.980 4.651 3.599 1.00 73.12 H new ATOM 0 HG22 ILE A 53 3.552 3.033 4.204 1.00 73.12 H new ATOM 0 HG23 ILE A 53 3.832 3.287 2.465 1.00 73.12 H new ATOM 0 HD11 ILE A 53 2.217 7.122 1.547 1.00 42.32 H new ATOM 0 HD12 ILE A 53 1.962 6.852 3.287 1.00 42.32 H new ATOM 0 HD13 ILE A 53 3.471 6.310 2.514 1.00 42.32 H new ATOM 831 N GLU A 54 0.860 2.003 5.169 1.00 4.12 N ATOM 832 CA GLU A 54 0.989 1.088 6.312 1.00 45.33 C ATOM 833 C GLU A 54 0.336 -0.271 6.029 1.00 21.42 C ATOM 834 O GLU A 54 0.767 -1.297 6.555 1.00 12.23 O ATOM 835 CB GLU A 54 0.365 1.714 7.569 1.00 23.31 C ATOM 836 CG GLU A 54 1.067 2.980 8.049 1.00 43.30 C ATOM 837 CD GLU A 54 2.496 2.734 8.522 1.00 42.33 C ATOM 838 OE1 GLU A 54 3.420 2.755 7.687 1.00 54.41 O ATOM 839 OE2 GLU A 54 2.704 2.532 9.738 1.00 1.11 O ATOM 0 H GLU A 54 0.335 2.854 5.372 1.00 4.12 H new ATOM 0 HA GLU A 54 2.053 0.921 6.479 1.00 45.33 H new ATOM 0 HB2 GLU A 54 -0.680 1.946 7.365 1.00 23.31 H new ATOM 0 HB3 GLU A 54 0.377 0.978 8.373 1.00 23.31 H new ATOM 0 HG2 GLU A 54 1.080 3.709 7.239 1.00 43.30 H new ATOM 0 HG3 GLU A 54 0.492 3.419 8.864 1.00 43.30 H new ATOM 846 N ARG A 55 -0.708 -0.273 5.202 1.00 21.33 N ATOM 847 CA ARG A 55 -1.411 -1.508 4.844 1.00 43.35 C ATOM 848 C ARG A 55 -0.511 -2.428 3.999 1.00 13.14 C ATOM 849 O ARG A 55 -0.368 -3.616 4.293 1.00 0.24 O ATOM 850 CB ARG A 55 -2.707 -1.184 4.084 1.00 2.32 C ATOM 851 CG ARG A 55 -3.655 -2.374 3.927 1.00 22.32 C ATOM 852 CD ARG A 55 -4.429 -2.681 5.210 1.00 31.51 C ATOM 853 NE ARG A 55 -3.554 -3.041 6.329 1.00 2.20 N ATOM 854 CZ ARG A 55 -3.476 -4.236 6.848 1.00 30.30 C ATOM 855 NH1 ARG A 55 -4.171 -5.213 6.360 1.00 11.23 N ATOM 856 NH2 ARG A 55 -2.699 -4.447 7.859 1.00 71.14 N ATOM 0 H ARG A 55 -1.088 0.567 4.766 1.00 21.33 H new ATOM 0 HA ARG A 55 -1.666 -2.033 5.764 1.00 43.35 H new ATOM 0 HB2 ARG A 55 -3.231 -0.383 4.606 1.00 2.32 H new ATOM 0 HB3 ARG A 55 -2.450 -0.805 3.095 1.00 2.32 H new ATOM 0 HG2 ARG A 55 -4.360 -2.168 3.122 1.00 22.32 H new ATOM 0 HG3 ARG A 55 -3.083 -3.254 3.633 1.00 22.32 H new ATOM 0 HD2 ARG A 55 -5.025 -1.811 5.486 1.00 31.51 H new ATOM 0 HD3 ARG A 55 -5.126 -3.498 5.022 1.00 31.51 H new ATOM 0 HE ARG A 55 -2.967 -2.309 6.729 1.00 2.20 H new ATOM 0 HH11 ARG A 55 -4.787 -5.053 5.563 1.00 11.23 H new ATOM 0 HH12 ARG A 55 -4.103 -6.143 6.773 1.00 11.23 H new ATOM 0 HH21 ARG A 55 -2.149 -3.681 8.249 1.00 71.14 H new ATOM 0 HH22 ARG A 55 -2.635 -5.379 8.267 1.00 71.14 H new ATOM 870 N LEU A 56 0.094 -1.869 2.946 1.00 2.21 N ATOM 871 CA LEU A 56 1.057 -2.615 2.119 1.00 13.51 C ATOM 872 C LEU A 56 2.251 -3.097 2.958 1.00 30.35 C ATOM 873 O LEU A 56 2.599 -4.280 2.953 1.00 64.34 O ATOM 874 CB LEU A 56 1.559 -1.745 0.950 1.00 43.22 C ATOM 875 CG LEU A 56 0.552 -1.521 -0.191 1.00 24.51 C ATOM 876 CD1 LEU A 56 1.130 -0.582 -1.246 1.00 12.41 C ATOM 877 CD2 LEU A 56 0.148 -2.855 -0.821 1.00 62.35 C ATOM 0 H LEU A 56 -0.063 -0.907 2.645 1.00 2.21 H new ATOM 0 HA LEU A 56 0.541 -3.487 1.717 1.00 13.51 H new ATOM 0 HB2 LEU A 56 1.856 -0.773 1.345 1.00 43.22 H new ATOM 0 HB3 LEU A 56 2.455 -2.207 0.535 1.00 43.22 H new ATOM 0 HG LEU A 56 -0.340 -1.055 0.228 1.00 24.51 H new ATOM 0 HD11 LEU A 56 0.401 -0.438 -2.043 1.00 12.41 H new ATOM 0 HD12 LEU A 56 1.363 0.380 -0.789 1.00 12.41 H new ATOM 0 HD13 LEU A 56 2.040 -1.016 -1.660 1.00 12.41 H new ATOM 0 HD21 LEU A 56 -0.565 -2.676 -1.626 1.00 62.35 H new ATOM 0 HD22 LEU A 56 1.032 -3.350 -1.222 1.00 62.35 H new ATOM 0 HD23 LEU A 56 -0.312 -3.490 -0.064 1.00 62.35 H new ATOM 889 N ARG A 57 2.858 -2.171 3.695 1.00 22.53 N ATOM 890 CA ARG A 57 4.008 -2.479 4.550 1.00 64.51 C ATOM 891 C ARG A 57 3.690 -3.583 5.574 1.00 5.53 C ATOM 892 O ARG A 57 4.526 -4.444 5.841 1.00 0.12 O ATOM 893 CB ARG A 57 4.485 -1.198 5.251 1.00 1.41 C ATOM 894 CG ARG A 57 5.475 -0.385 4.413 1.00 21.13 C ATOM 895 CD ARG A 57 5.402 1.111 4.694 1.00 74.03 C ATOM 896 NE ARG A 57 5.266 1.421 6.117 1.00 64.42 N ATOM 897 CZ ARG A 57 6.253 1.496 6.966 1.00 64.23 C ATOM 898 NH1 ARG A 57 7.465 1.218 6.606 1.00 65.12 N ATOM 899 NH2 ARG A 57 6.013 1.853 8.184 1.00 65.23 N ATOM 0 H ARG A 57 2.572 -1.192 3.719 1.00 22.53 H new ATOM 0 HA ARG A 57 4.808 -2.863 3.917 1.00 64.51 H new ATOM 0 HB2 ARG A 57 3.621 -0.576 5.485 1.00 1.41 H new ATOM 0 HB3 ARG A 57 4.953 -1.463 6.199 1.00 1.41 H new ATOM 0 HG2 ARG A 57 6.487 -0.738 4.612 1.00 21.13 H new ATOM 0 HG3 ARG A 57 5.278 -0.561 3.355 1.00 21.13 H new ATOM 0 HD2 ARG A 57 6.301 1.592 4.308 1.00 74.03 H new ATOM 0 HD3 ARG A 57 4.556 1.535 4.153 1.00 74.03 H new ATOM 0 HE ARG A 57 4.326 1.592 6.473 1.00 64.42 H new ATOM 0 HH11 ARG A 57 7.660 0.935 5.645 1.00 65.12 H new ATOM 0 HH12 ARG A 57 8.225 1.282 7.283 1.00 65.12 H new ATOM 0 HH21 ARG A 57 5.060 2.073 8.473 1.00 65.23 H new ATOM 0 HH22 ARG A 57 6.777 1.915 8.857 1.00 65.23 H new ATOM 913 N ALA A 58 2.484 -3.561 6.138 1.00 2.32 N ATOM 914 CA ALA A 58 2.052 -4.607 7.076 1.00 63.12 C ATOM 915 C ALA A 58 1.903 -5.969 6.373 1.00 20.31 C ATOM 916 O ALA A 58 2.266 -7.011 6.924 1.00 74.33 O ATOM 917 CB ALA A 58 0.740 -4.213 7.746 1.00 15.23 C ATOM 0 H ALA A 58 1.788 -2.836 5.966 1.00 2.32 H new ATOM 0 HA ALA A 58 2.824 -4.707 7.839 1.00 63.12 H new ATOM 0 HB1 ALA A 58 0.434 -4.998 8.437 1.00 15.23 H new ATOM 0 HB2 ALA A 58 0.877 -3.281 8.294 1.00 15.23 H new ATOM 0 HB3 ALA A 58 -0.030 -4.078 6.987 1.00 15.23 H new ATOM 923 N TYR A 59 1.365 -5.947 5.153 1.00 40.14 N ATOM 924 CA TYR A 59 1.185 -7.170 4.357 1.00 34.13 C ATOM 925 C TYR A 59 2.540 -7.823 4.017 1.00 14.21 C ATOM 926 O TYR A 59 2.668 -9.047 4.015 1.00 23.20 O ATOM 927 CB TYR A 59 0.409 -6.843 3.068 1.00 34.33 C ATOM 928 CG TYR A 59 0.117 -8.053 2.194 1.00 43.01 C ATOM 929 CD1 TYR A 59 -1.014 -8.835 2.415 1.00 4.00 C ATOM 930 CD2 TYR A 59 0.967 -8.410 1.151 1.00 22.24 C ATOM 931 CE1 TYR A 59 -1.288 -9.935 1.625 1.00 53.12 C ATOM 932 CE2 TYR A 59 0.699 -9.510 0.356 1.00 42.03 C ATOM 933 CZ TYR A 59 -0.429 -10.269 0.598 1.00 32.45 C ATOM 934 OH TYR A 59 -0.699 -11.364 -0.194 1.00 23.44 O ATOM 0 H TYR A 59 1.045 -5.096 4.691 1.00 40.14 H new ATOM 0 HA TYR A 59 0.614 -7.884 4.951 1.00 34.13 H new ATOM 0 HB2 TYR A 59 -0.534 -6.366 3.336 1.00 34.33 H new ATOM 0 HB3 TYR A 59 0.980 -6.118 2.487 1.00 34.33 H new ATOM 0 HD1 TYR A 59 -1.689 -8.577 3.218 1.00 4.00 H new ATOM 0 HD2 TYR A 59 1.850 -7.819 0.959 1.00 22.24 H new ATOM 0 HE1 TYR A 59 -2.170 -10.530 1.810 1.00 53.12 H new ATOM 0 HE2 TYR A 59 1.368 -9.774 -0.450 1.00 42.03 H new ATOM 0 HH TYR A 59 0.003 -11.459 -0.871 1.00 23.44 H new ATOM 944 N GLN A 60 3.546 -6.999 3.732 1.00 42.33 N ATOM 945 CA GLN A 60 4.895 -7.500 3.421 1.00 41.45 C ATOM 946 C GLN A 60 5.620 -7.938 4.710 1.00 54.32 C ATOM 947 O GLN A 60 6.214 -9.014 4.775 1.00 23.34 O ATOM 948 CB GLN A 60 5.704 -6.407 2.693 1.00 43.43 C ATOM 949 CG GLN A 60 6.753 -6.926 1.703 1.00 50.41 C ATOM 950 CD GLN A 60 7.850 -7.756 2.349 1.00 50.12 C ATOM 951 OE1 GLN A 60 7.753 -8.973 2.441 1.00 1.05 O ATOM 952 NE2 GLN A 60 8.904 -7.106 2.799 1.00 34.43 N ATOM 0 H GLN A 60 3.459 -5.983 3.708 1.00 42.33 H new ATOM 0 HA GLN A 60 4.806 -8.368 2.768 1.00 41.45 H new ATOM 0 HB2 GLN A 60 5.010 -5.759 2.157 1.00 43.43 H new ATOM 0 HB3 GLN A 60 6.205 -5.790 3.439 1.00 43.43 H new ATOM 0 HG2 GLN A 60 6.255 -7.528 0.943 1.00 50.41 H new ATOM 0 HG3 GLN A 60 7.206 -6.077 1.191 1.00 50.41 H new ATOM 0 HE21 GLN A 60 8.955 -6.091 2.707 1.00 34.43 H new ATOM 0 HE22 GLN A 60 9.669 -7.617 3.239 1.00 34.43 H new ATOM 961 N ASP A 61 5.539 -7.099 5.739 1.00 13.15 N ATOM 962 CA ASP A 61 6.225 -7.333 7.018 1.00 65.51 C ATOM 963 C ASP A 61 5.914 -8.722 7.620 1.00 41.22 C ATOM 964 O ASP A 61 6.732 -9.296 8.340 1.00 34.24 O ATOM 965 CB ASP A 61 5.827 -6.226 8.003 1.00 60.01 C ATOM 966 CG ASP A 61 6.634 -6.251 9.287 1.00 51.52 C ATOM 967 OD1 ASP A 61 7.825 -5.879 9.251 1.00 74.12 O ATOM 968 OD2 ASP A 61 6.069 -6.604 10.344 1.00 11.25 O ATOM 0 H ASP A 61 4.997 -6.235 5.715 1.00 13.15 H new ATOM 0 HA ASP A 61 7.299 -7.312 6.831 1.00 65.51 H new ATOM 0 HB2 ASP A 61 5.953 -5.257 7.521 1.00 60.01 H new ATOM 0 HB3 ASP A 61 4.769 -6.326 8.244 1.00 60.01 H new ATOM 973 N GLN A 62 4.730 -9.256 7.322 1.00 35.24 N ATOM 974 CA GLN A 62 4.312 -10.564 7.855 1.00 11.42 C ATOM 975 C GLN A 62 4.805 -11.744 6.993 1.00 45.01 C ATOM 976 O GLN A 62 4.944 -12.866 7.488 1.00 33.21 O ATOM 977 CB GLN A 62 2.785 -10.608 7.992 1.00 50.02 C ATOM 978 CG GLN A 62 2.046 -10.313 6.695 1.00 21.22 C ATOM 979 CD GLN A 62 0.547 -10.199 6.883 1.00 13.22 C ATOM 980 OE1 GLN A 62 -0.187 -11.176 6.759 1.00 3.20 O ATOM 981 NE2 GLN A 62 0.081 -9.012 7.208 1.00 2.41 N ATOM 0 H GLN A 62 4.041 -8.809 6.717 1.00 35.24 H new ATOM 0 HA GLN A 62 4.775 -10.675 8.836 1.00 11.42 H new ATOM 0 HB2 GLN A 62 2.490 -11.593 8.352 1.00 50.02 H new ATOM 0 HB3 GLN A 62 2.476 -9.886 8.748 1.00 50.02 H new ATOM 0 HG2 GLN A 62 2.425 -9.384 6.270 1.00 21.22 H new ATOM 0 HG3 GLN A 62 2.258 -11.103 5.974 1.00 21.22 H new ATOM 0 HE21 GLN A 62 0.719 -8.222 7.303 1.00 2.41 H new ATOM 0 HE22 GLN A 62 -0.918 -8.882 7.365 1.00 2.41 H new ATOM 990 N ILE A 63 5.076 -11.494 5.712 1.00 12.41 N ATOM 991 CA ILE A 63 5.530 -12.554 4.793 1.00 31.21 C ATOM 992 C ILE A 63 7.054 -12.520 4.576 1.00 43.33 C ATOM 993 O ILE A 63 7.641 -13.490 4.088 1.00 54.02 O ATOM 994 CB ILE A 63 4.818 -12.450 3.417 1.00 43.34 C ATOM 995 CG1 ILE A 63 5.168 -11.119 2.723 1.00 3.12 C ATOM 996 CG2 ILE A 63 3.303 -12.595 3.587 1.00 65.40 C ATOM 997 CD1 ILE A 63 4.527 -10.944 1.360 1.00 75.41 C ATOM 0 H ILE A 63 4.992 -10.573 5.282 1.00 12.41 H new ATOM 0 HA ILE A 63 5.268 -13.500 5.266 1.00 31.21 H new ATOM 0 HB ILE A 63 5.170 -13.264 2.783 1.00 43.34 H new ATOM 0 HG12 ILE A 63 4.860 -10.294 3.366 1.00 3.12 H new ATOM 0 HG13 ILE A 63 6.251 -11.052 2.615 1.00 3.12 H new ATOM 0 HG21 ILE A 63 2.819 -12.520 2.613 1.00 65.40 H new ATOM 0 HG22 ILE A 63 3.078 -13.565 4.030 1.00 65.40 H new ATOM 0 HG23 ILE A 63 2.933 -11.804 4.239 1.00 65.40 H new ATOM 0 HD11 ILE A 63 4.823 -9.983 0.939 1.00 75.41 H new ATOM 0 HD12 ILE A 63 4.854 -11.746 0.698 1.00 75.41 H new ATOM 0 HD13 ILE A 63 3.442 -10.977 1.461 1.00 75.41 H new ATOM 1009 N SER A 64 7.686 -11.404 4.940 1.00 44.34 N ATOM 1010 CA SER A 64 9.131 -11.219 4.739 1.00 10.10 C ATOM 1011 C SER A 64 9.968 -12.172 5.614 1.00 31.25 C ATOM 1012 O SER A 64 9.694 -12.340 6.807 1.00 33.53 O ATOM 1013 CB SER A 64 9.532 -9.765 5.039 1.00 72.10 C ATOM 1014 OG SER A 64 10.908 -9.539 4.764 1.00 13.10 O ATOM 0 H SER A 64 7.221 -10.609 5.378 1.00 44.34 H new ATOM 0 HA SER A 64 9.338 -11.453 3.695 1.00 10.10 H new ATOM 0 HB2 SER A 64 8.924 -9.087 4.440 1.00 72.10 H new ATOM 0 HB3 SER A 64 9.326 -9.538 6.085 1.00 72.10 H new ATOM 0 HG SER A 64 11.132 -8.606 4.963 1.00 13.10 H new ATOM 1020 N PRO A 65 11.001 -12.815 5.033 1.00 70.35 N ATOM 1021 CA PRO A 65 11.905 -13.701 5.779 1.00 44.03 C ATOM 1022 C PRO A 65 12.883 -12.924 6.678 1.00 72.01 C ATOM 1023 O PRO A 65 13.963 -12.520 6.239 1.00 43.14 O ATOM 1024 CB PRO A 65 12.671 -14.465 4.678 1.00 61.45 C ATOM 1025 CG PRO A 65 12.004 -14.096 3.387 1.00 2.20 C ATOM 1026 CD PRO A 65 11.363 -12.754 3.613 1.00 41.42 C ATOM 0 HA PRO A 65 11.355 -14.354 6.457 1.00 44.03 H new ATOM 0 HB2 PRO A 65 13.724 -14.185 4.668 1.00 61.45 H new ATOM 0 HB3 PRO A 65 12.629 -15.541 4.847 1.00 61.45 H new ATOM 0 HG2 PRO A 65 12.729 -14.049 2.574 1.00 2.20 H new ATOM 0 HG3 PRO A 65 11.259 -14.841 3.107 1.00 2.20 H new ATOM 0 HD2 PRO A 65 12.051 -11.935 3.404 1.00 41.42 H new ATOM 0 HD3 PRO A 65 10.490 -12.608 2.977 1.00 41.42 H new ATOM 1034 N VAL A 66 12.488 -12.690 7.926 1.00 65.53 N ATOM 1035 CA VAL A 66 13.361 -12.022 8.898 1.00 14.01 C ATOM 1036 C VAL A 66 14.485 -12.964 9.385 1.00 30.12 C ATOM 1037 O VAL A 66 14.350 -14.187 9.307 1.00 51.34 O ATOM 1038 CB VAL A 66 12.550 -11.486 10.110 1.00 13.13 C ATOM 1039 CG1 VAL A 66 11.502 -10.471 9.653 1.00 12.14 C ATOM 1040 CG2 VAL A 66 11.900 -12.629 10.885 1.00 42.00 C ATOM 0 H VAL A 66 11.572 -12.951 8.292 1.00 65.53 H new ATOM 0 HA VAL A 66 13.820 -11.175 8.388 1.00 14.01 H new ATOM 0 HB VAL A 66 13.243 -10.980 10.782 1.00 13.13 H new ATOM 0 HG11 VAL A 66 10.945 -10.108 10.517 1.00 12.14 H new ATOM 0 HG12 VAL A 66 11.997 -9.633 9.162 1.00 12.14 H new ATOM 0 HG13 VAL A 66 10.815 -10.947 8.953 1.00 12.14 H new ATOM 0 HG21 VAL A 66 11.339 -12.225 11.728 1.00 42.00 H new ATOM 0 HG22 VAL A 66 11.224 -13.176 10.228 1.00 42.00 H new ATOM 0 HG23 VAL A 66 12.672 -13.304 11.254 1.00 42.00 H new ATOM 1050 N PRO A 67 15.612 -12.397 9.889 1.00 54.30 N ATOM 1051 CA PRO A 67 16.804 -13.166 10.307 1.00 12.31 C ATOM 1052 C PRO A 67 16.508 -14.531 10.961 1.00 44.44 C ATOM 1053 O PRO A 67 16.969 -15.571 10.481 1.00 53.24 O ATOM 1054 CB PRO A 67 17.458 -12.219 11.316 1.00 21.15 C ATOM 1055 CG PRO A 67 17.168 -10.857 10.777 1.00 35.51 C ATOM 1056 CD PRO A 67 15.823 -10.944 10.084 1.00 71.35 C ATOM 0 HA PRO A 67 17.417 -13.438 9.448 1.00 12.31 H new ATOM 0 HB2 PRO A 67 17.041 -12.350 12.314 1.00 21.15 H new ATOM 0 HB3 PRO A 67 18.531 -12.397 11.393 1.00 21.15 H new ATOM 0 HG2 PRO A 67 17.144 -10.120 11.579 1.00 35.51 H new ATOM 0 HG3 PRO A 67 17.944 -10.543 10.079 1.00 35.51 H new ATOM 0 HD2 PRO A 67 15.032 -10.504 10.691 1.00 71.35 H new ATOM 0 HD3 PRO A 67 15.829 -10.411 9.133 1.00 71.35 H new ATOM 1064 N GLY A 68 15.740 -14.529 12.051 1.00 53.21 N ATOM 1065 CA GLY A 68 15.490 -15.766 12.793 1.00 4.00 C ATOM 1066 C GLY A 68 14.016 -16.157 12.872 1.00 44.32 C ATOM 1067 O GLY A 68 13.440 -16.208 13.960 1.00 64.23 O ATOM 0 H GLY A 68 15.287 -13.700 12.435 1.00 53.21 H new ATOM 0 HA2 GLY A 68 16.046 -16.578 12.323 1.00 4.00 H new ATOM 0 HA3 GLY A 68 15.881 -15.656 13.805 1.00 4.00 H new ATOM 1071 N ALA A 69 13.401 -16.443 11.726 1.00 33.21 N ATOM 1072 CA ALA A 69 12.008 -16.913 11.695 1.00 41.32 C ATOM 1073 C ALA A 69 11.657 -17.583 10.356 1.00 41.35 C ATOM 1074 O ALA A 69 12.179 -17.198 9.305 1.00 22.15 O ATOM 1075 CB ALA A 69 11.051 -15.758 11.970 1.00 12.32 C ATOM 0 H ALA A 69 13.838 -16.360 10.808 1.00 33.21 H new ATOM 0 HA ALA A 69 11.901 -17.664 12.478 1.00 41.32 H new ATOM 0 HB1 ALA A 69 10.024 -16.122 11.944 1.00 12.32 H new ATOM 0 HB2 ALA A 69 11.262 -15.337 12.953 1.00 12.32 H new ATOM 0 HB3 ALA A 69 11.182 -14.988 11.210 1.00 12.32 H new ATOM 1081 N PRO A 70 10.767 -18.600 10.372 1.00 5.10 N ATOM 1082 CA PRO A 70 10.305 -19.269 9.140 1.00 44.31 C ATOM 1083 C PRO A 70 9.334 -18.397 8.321 1.00 61.35 C ATOM 1084 O PRO A 70 8.774 -17.424 8.831 1.00 41.42 O ATOM 1085 CB PRO A 70 9.600 -20.523 9.671 1.00 13.04 C ATOM 1086 CG PRO A 70 9.114 -20.133 11.027 1.00 70.44 C ATOM 1087 CD PRO A 70 10.148 -19.187 11.583 1.00 13.43 C ATOM 0 HA PRO A 70 11.125 -19.482 8.454 1.00 44.31 H new ATOM 0 HB2 PRO A 70 8.775 -20.818 9.023 1.00 13.04 H new ATOM 0 HB3 PRO A 70 10.283 -21.371 9.723 1.00 13.04 H new ATOM 0 HG2 PRO A 70 8.137 -19.653 10.968 1.00 70.44 H new ATOM 0 HG3 PRO A 70 9.001 -21.008 11.667 1.00 70.44 H new ATOM 0 HD2 PRO A 70 9.694 -18.422 12.213 1.00 13.43 H new ATOM 0 HD3 PRO A 70 10.882 -19.710 12.196 1.00 13.43 H new ATOM 1095 N LYS A 71 9.124 -18.753 7.053 1.00 52.41 N ATOM 1096 CA LYS A 71 8.305 -17.933 6.148 1.00 32.22 C ATOM 1097 C LYS A 71 7.637 -18.766 5.041 1.00 45.20 C ATOM 1098 O LYS A 71 7.960 -19.938 4.837 1.00 34.12 O ATOM 1099 CB LYS A 71 9.164 -16.822 5.507 1.00 10.13 C ATOM 1100 CG LYS A 71 10.270 -17.330 4.572 1.00 45.41 C ATOM 1101 CD LYS A 71 11.378 -18.069 5.325 1.00 53.13 C ATOM 1102 CE LYS A 71 12.495 -18.535 4.396 1.00 53.12 C ATOM 1103 NZ LYS A 71 13.589 -19.212 5.145 1.00 24.11 N ATOM 0 H LYS A 71 9.506 -19.598 6.628 1.00 52.41 H new ATOM 0 HA LYS A 71 7.514 -17.491 6.753 1.00 32.22 H new ATOM 0 HB2 LYS A 71 8.511 -16.154 4.946 1.00 10.13 H new ATOM 0 HB3 LYS A 71 9.620 -16.230 6.300 1.00 10.13 H new ATOM 0 HG2 LYS A 71 9.834 -17.996 3.827 1.00 45.41 H new ATOM 0 HG3 LYS A 71 10.701 -16.487 4.032 1.00 45.41 H new ATOM 0 HD2 LYS A 71 11.794 -17.414 6.090 1.00 53.13 H new ATOM 0 HD3 LYS A 71 10.953 -18.931 5.840 1.00 53.13 H new ATOM 0 HE2 LYS A 71 12.087 -19.218 3.651 1.00 53.12 H new ATOM 0 HE3 LYS A 71 12.900 -17.679 3.856 1.00 53.12 H new ATOM 0 HZ1 LYS A 71 14.329 -19.514 4.480 1.00 24.11 H new ATOM 0 HZ2 LYS A 71 13.995 -18.552 5.839 1.00 24.11 H new ATOM 0 HZ3 LYS A 71 13.208 -20.043 5.640 1.00 24.11 H new ATOM 1117 N ALA A 72 6.700 -18.139 4.330 1.00 14.43 N ATOM 1118 CA ALA A 72 6.038 -18.757 3.177 1.00 4.04 C ATOM 1119 C ALA A 72 5.950 -17.761 2.007 1.00 13.00 C ATOM 1120 O ALA A 72 5.177 -16.803 2.060 1.00 53.04 O ATOM 1121 CB ALA A 72 4.648 -19.248 3.568 1.00 54.15 C ATOM 0 H ALA A 72 6.378 -17.193 4.534 1.00 14.43 H new ATOM 0 HA ALA A 72 6.630 -19.613 2.853 1.00 4.04 H new ATOM 0 HB1 ALA A 72 4.167 -19.705 2.703 1.00 54.15 H new ATOM 0 HB2 ALA A 72 4.734 -19.985 4.367 1.00 54.15 H new ATOM 0 HB3 ALA A 72 4.049 -18.406 3.914 1.00 54.15 H new ATOM 1127 N PRO A 73 6.752 -17.961 0.941 1.00 71.03 N ATOM 1128 CA PRO A 73 6.795 -17.032 -0.205 1.00 34.15 C ATOM 1129 C PRO A 73 5.563 -17.134 -1.127 1.00 71.43 C ATOM 1130 O PRO A 73 5.168 -18.225 -1.541 1.00 21.30 O ATOM 1131 CB PRO A 73 8.066 -17.463 -0.947 1.00 42.21 C ATOM 1132 CG PRO A 73 8.213 -18.916 -0.634 1.00 34.11 C ATOM 1133 CD PRO A 73 7.683 -19.096 0.768 1.00 24.23 C ATOM 0 HA PRO A 73 6.794 -15.992 0.120 1.00 34.15 H new ATOM 0 HB2 PRO A 73 7.974 -17.296 -2.020 1.00 42.21 H new ATOM 0 HB3 PRO A 73 8.933 -16.895 -0.610 1.00 42.21 H new ATOM 0 HG2 PRO A 73 7.654 -19.526 -1.344 1.00 34.11 H new ATOM 0 HG3 PRO A 73 9.256 -19.226 -0.699 1.00 34.11 H new ATOM 0 HD2 PRO A 73 7.173 -20.053 0.883 1.00 24.23 H new ATOM 0 HD3 PRO A 73 8.485 -19.071 1.505 1.00 24.23 H new ATOM 1141 N ALA A 74 4.961 -15.986 -1.441 1.00 0.42 N ATOM 1142 CA ALA A 74 3.817 -15.936 -2.359 1.00 1.35 C ATOM 1143 C ALA A 74 4.266 -15.590 -3.787 1.00 63.34 C ATOM 1144 O ALA A 74 4.478 -14.422 -4.113 1.00 73.52 O ATOM 1145 CB ALA A 74 2.786 -14.925 -1.865 1.00 10.22 C ATOM 0 H ALA A 74 5.245 -15.077 -1.074 1.00 0.42 H new ATOM 0 HA ALA A 74 3.358 -16.924 -2.382 1.00 1.35 H new ATOM 0 HB1 ALA A 74 1.943 -14.898 -2.555 1.00 10.22 H new ATOM 0 HB2 ALA A 74 2.435 -15.217 -0.875 1.00 10.22 H new ATOM 0 HB3 ALA A 74 3.242 -13.937 -1.811 1.00 10.22 H new ATOM 1151 N ALA A 75 4.427 -16.611 -4.625 1.00 0.12 N ATOM 1152 CA ALA A 75 4.878 -16.420 -6.014 1.00 74.25 C ATOM 1153 C ALA A 75 4.196 -17.414 -6.974 1.00 24.12 C ATOM 1154 O ALA A 75 4.638 -18.584 -7.043 1.00 36.18 O ATOM 1155 CB ALA A 75 6.400 -16.555 -6.091 1.00 73.03 C ATOM 1156 OXT ALA A 75 3.216 -17.025 -7.649 1.00 36.18 O ATOM 0 H ALA A 75 4.253 -17.584 -4.372 1.00 0.12 H new ATOM 0 HA ALA A 75 4.592 -15.416 -6.328 1.00 74.25 H new ATOM 0 HB1 ALA A 75 6.726 -16.413 -7.121 1.00 73.03 H new ATOM 0 HB2 ALA A 75 6.865 -15.801 -5.456 1.00 73.03 H new ATOM 0 HB3 ALA A 75 6.695 -17.548 -5.751 1.00 73.03 H new TER 1162 ALA A 75