USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 108 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 62 GLN :FLIP amide:sc= -1.11 F(o=-3!,f=-1.3) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= -0.145 USER MOD Set 2.1: A 20 THR OG1 : rot -76:sc= 1.36 USER MOD Set 2.2: A 30 GLN : amide:sc= 2.06 K(o=4.2,f=-2.5) USER MOD Set 2.3: A 34 GLN : amide:sc= 0.81 K(o=4.2,f=-2.6) USER MOD Set 3.1: A 3 THR OG1 : rot 121:sc= -2.31! USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0.58 USER MOD Single : A 1 MET CE :methyl 177:sc= -0.125 (180deg=-0.143) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.328 (180deg=-0.737) USER MOD Single : A 2 GLN : amide:sc= -0.0848 X(o=-0.085,f=-0.33) USER MOD Single : A 9 LYS NZ :NH3+ -111:sc= -0.436 (180deg=-1.01) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.332 (180deg=-2.38!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 19 GLN : amide:sc= -3.87! C(o=-3.9!,f=-7!) USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.593 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.096) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 41 THR OG1 : rot -70:sc= -0.182 USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= 0.378 (180deg=0) USER MOD Single : A 52 MET CE :methyl -166:sc= 0 (180deg=-0.144) USER MOD Single : A 55 ASN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD Single : A 56 CYS SG : rot -134:sc= 2.48 USER MOD Single : A 65 THR OG1 : rot 49:sc= 0.661 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.092) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc=-0.00316 (180deg=-0.0923) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.008 12.376 2.413 1.00 0.00 N ATOM 2 CA MET A 1 -0.453 11.127 2.983 1.00 0.00 C ATOM 3 C MET A 1 0.624 10.394 2.142 1.00 0.00 C ATOM 4 O MET A 1 0.694 9.178 2.096 1.00 0.00 O ATOM 5 CB MET A 1 -1.619 10.205 3.349 1.00 0.00 C ATOM 6 CG MET A 1 -2.352 10.734 4.584 1.00 0.00 C ATOM 7 SD MET A 1 -3.825 9.754 5.018 1.00 0.00 S ATOM 8 CE MET A 1 -3.071 8.421 5.935 1.00 0.00 C ATOM 0 H1 MET A 1 -2.029 12.423 2.608 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.535 13.195 2.845 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.851 12.388 1.385 1.00 0.00 H new ATOM 0 HA MET A 1 0.114 11.424 3.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.311 10.134 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.248 9.198 3.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.666 10.741 5.431 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.650 11.767 4.407 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.847 7.758 6.318 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.405 7.859 5.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.500 8.830 6.768 1.00 0.00 H new ATOM 9 N GLN A 2 1.341 11.223 1.400 1.00 0.00 N ATOM 10 CA GLN A 2 2.500 10.930 0.531 1.00 0.00 C ATOM 11 C GLN A 2 3.036 9.488 0.472 1.00 0.00 C ATOM 12 O GLN A 2 2.939 8.817 -0.565 1.00 0.00 O ATOM 13 CB GLN A 2 3.569 11.965 0.923 1.00 0.00 C ATOM 14 CG GLN A 2 4.798 12.085 0.018 1.00 0.00 C ATOM 15 CD GLN A 2 5.867 11.033 0.317 1.00 0.00 C ATOM 16 OE1 GLN A 2 6.534 11.050 1.337 1.00 0.00 O ATOM 17 NE2 GLN A 2 6.034 10.114 -0.595 1.00 0.00 N ATOM 0 H GLN A 2 1.115 12.217 1.380 1.00 0.00 H new ATOM 0 HA GLN A 2 2.167 11.015 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.090 12.943 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.914 11.729 1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.486 11.992 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.232 13.078 0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.462 10.124 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.737 9.386 -0.463 1.00 0.00 H new ATOM 19 N THR A 3 3.445 8.996 1.625 1.00 0.00 N ATOM 20 CA THR A 3 4.252 7.767 1.787 1.00 0.00 C ATOM 21 C THR A 3 3.526 6.494 1.329 1.00 0.00 C ATOM 22 O THR A 3 2.304 6.344 1.438 1.00 0.00 O ATOM 23 CB THR A 3 4.771 7.572 3.224 1.00 0.00 C ATOM 24 OG1 THR A 3 3.757 6.975 4.037 1.00 0.00 O ATOM 25 CG2 THR A 3 5.275 8.863 3.883 1.00 0.00 C ATOM 0 H THR A 3 3.226 9.444 2.515 1.00 0.00 H new ATOM 0 HA THR A 3 5.106 7.924 1.129 1.00 0.00 H new ATOM 0 HB THR A 3 5.634 6.910 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.084 6.124 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.624 8.644 4.892 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.097 9.274 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.463 9.589 3.929 1.00 0.00 H new ATOM 28 N LEU A 4 4.388 5.521 1.011 1.00 0.00 N ATOM 29 CA LEU A 4 4.061 4.123 0.696 1.00 0.00 C ATOM 30 C LEU A 4 2.978 3.528 1.611 1.00 0.00 C ATOM 31 O LEU A 4 1.882 3.203 1.171 1.00 0.00 O ATOM 32 CB LEU A 4 5.352 3.305 0.821 1.00 0.00 C ATOM 33 CG LEU A 4 6.299 3.567 -0.341 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.491 4.433 0.089 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.779 2.237 -0.903 1.00 0.00 C ATOM 0 H LEU A 4 5.391 5.697 0.964 1.00 0.00 H new ATOM 0 HA LEU A 4 3.653 4.088 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.850 3.552 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.108 2.243 0.859 1.00 0.00 H new ATOM 0 HG LEU A 4 5.762 4.118 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.146 4.600 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.129 5.391 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.045 3.924 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.458 2.418 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.300 1.680 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.923 1.659 -1.252 1.00 0.00 H new ATOM 37 N SER A 5 3.241 3.666 2.908 1.00 0.00 N ATOM 38 CA SER A 5 2.396 3.136 3.992 1.00 0.00 C ATOM 39 C SER A 5 1.070 3.888 4.163 1.00 0.00 C ATOM 40 O SER A 5 0.001 3.332 3.965 1.00 0.00 O ATOM 41 CB SER A 5 3.228 3.213 5.277 1.00 0.00 C ATOM 42 OG SER A 5 3.833 4.499 5.481 1.00 0.00 O ATOM 0 H SER A 5 4.065 4.160 3.250 1.00 0.00 H new ATOM 0 HA SER A 5 2.110 2.113 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.591 2.979 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.008 2.452 5.244 1.00 0.00 H new ATOM 0 HG SER A 5 4.348 4.490 6.314 1.00 0.00 H new ATOM 45 N GLU A 6 1.232 5.197 4.216 1.00 0.00 N ATOM 46 CA GLU A 6 0.158 6.164 4.477 1.00 0.00 C ATOM 47 C GLU A 6 -0.919 6.140 3.383 1.00 0.00 C ATOM 48 O GLU A 6 -2.072 5.829 3.669 1.00 0.00 O ATOM 49 CB GLU A 6 0.836 7.525 4.561 1.00 0.00 C ATOM 50 CG GLU A 6 0.733 8.200 5.922 1.00 0.00 C ATOM 51 CD GLU A 6 1.527 9.509 6.015 1.00 0.00 C ATOM 52 OE1 GLU A 6 1.787 10.151 4.966 1.00 0.00 O ATOM 53 OE2 GLU A 6 1.902 9.846 7.153 1.00 0.00 O ATOM 0 H GLU A 6 2.140 5.640 4.075 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.367 5.921 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.889 7.408 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.398 8.182 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.315 8.404 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.090 7.512 6.688 1.00 0.00 H new ATOM 55 N ARG A 7 -0.497 6.286 2.135 1.00 0.00 N ATOM 56 CA ARG A 7 -1.471 6.349 1.036 1.00 0.00 C ATOM 57 C ARG A 7 -2.154 5.037 0.659 1.00 0.00 C ATOM 58 O ARG A 7 -3.373 4.984 0.579 1.00 0.00 O ATOM 59 CB ARG A 7 -0.943 7.156 -0.127 1.00 0.00 C ATOM 60 CG ARG A 7 -2.011 8.238 -0.248 1.00 0.00 C ATOM 61 CD ARG A 7 -1.605 9.378 -1.167 1.00 0.00 C ATOM 62 NE ARG A 7 -2.702 10.352 -1.058 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.753 11.527 -1.683 1.00 0.00 C ATOM 64 NH1 ARG A 7 -1.762 11.945 -2.448 1.00 0.00 N ATOM 65 NH2 ARG A 7 -3.812 12.308 -1.562 1.00 0.00 N ATOM 0 H ARG A 7 0.481 6.362 1.855 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.319 6.902 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.044 7.573 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.857 6.560 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.932 7.790 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.228 8.638 0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.655 9.815 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.481 9.034 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.487 10.108 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.933 11.364 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.825 12.849 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.600 12.013 -0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.841 13.206 -2.045 1.00 0.00 H new ATOM 68 N LEU A 8 -1.366 3.966 0.700 1.00 0.00 N ATOM 69 CA LEU A 8 -1.873 2.580 0.618 1.00 0.00 C ATOM 70 C LEU A 8 -2.949 2.279 1.673 1.00 0.00 C ATOM 71 O LEU A 8 -4.063 1.887 1.333 1.00 0.00 O ATOM 72 CB LEU A 8 -0.684 1.621 0.746 1.00 0.00 C ATOM 73 CG LEU A 8 -1.036 0.139 0.642 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.685 -0.190 -0.700 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.243 -0.675 0.794 1.00 0.00 C ATOM 0 H LEU A 8 -0.352 4.025 0.791 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.362 2.444 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.043 1.862 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.196 1.797 1.705 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.749 -0.105 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.922 -1.253 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.601 0.390 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.996 0.058 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.009 -1.737 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.943 -0.403 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.693 -0.468 1.765 1.00 0.00 H new ATOM 77 N LYS A 9 -2.633 2.593 2.943 1.00 0.00 N ATOM 78 CA LYS A 9 -3.595 2.415 4.053 1.00 0.00 C ATOM 79 C LYS A 9 -4.910 3.194 3.867 1.00 0.00 C ATOM 80 O LYS A 9 -5.976 2.588 3.925 1.00 0.00 O ATOM 81 CB LYS A 9 -2.981 2.782 5.410 1.00 0.00 C ATOM 82 CG LYS A 9 -2.026 1.700 5.923 1.00 0.00 C ATOM 83 CD LYS A 9 -1.765 1.869 7.423 1.00 0.00 C ATOM 84 CE LYS A 9 -0.988 3.129 7.810 1.00 0.00 C ATOM 85 NZ LYS A 9 0.408 3.034 7.358 1.00 0.00 N ATOM 0 H LYS A 9 -1.728 2.968 3.227 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.836 1.352 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.444 3.726 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.778 2.936 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.450 0.714 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.084 1.752 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.723 1.877 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.215 0.998 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.461 4.005 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.018 3.264 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.034 2.942 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.518 2.201 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.660 3.892 6.826 1.00 0.00 H new ATOM 90 N LYS A 10 -4.802 4.462 3.482 1.00 0.00 N ATOM 91 CA LYS A 10 -5.960 5.322 3.188 1.00 0.00 C ATOM 92 C LYS A 10 -6.968 4.703 2.193 1.00 0.00 C ATOM 93 O LYS A 10 -8.143 4.525 2.523 1.00 0.00 O ATOM 94 CB LYS A 10 -5.373 6.656 2.662 1.00 0.00 C ATOM 95 CG LYS A 10 -6.374 7.664 2.100 1.00 0.00 C ATOM 96 CD LYS A 10 -5.617 8.877 1.559 1.00 0.00 C ATOM 97 CE LYS A 10 -6.521 9.857 0.805 1.00 0.00 C ATOM 98 NZ LYS A 10 -6.812 9.373 -0.558 1.00 0.00 N ATOM 0 H LYS A 10 -3.905 4.932 3.362 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.552 5.465 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.828 7.134 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.646 6.426 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.964 7.205 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.072 7.973 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.136 9.398 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.824 8.537 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.454 9.991 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.039 10.833 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.426 10.056 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.922 9.268 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.293 8.452 -0.504 1.00 0.00 H new ATOM 103 N ARG A 11 -6.433 4.196 1.089 1.00 0.00 N ATOM 104 CA ARG A 11 -7.274 3.632 0.018 1.00 0.00 C ATOM 105 C ARG A 11 -7.782 2.205 0.344 1.00 0.00 C ATOM 106 O ARG A 11 -8.918 1.873 0.034 1.00 0.00 O ATOM 107 CB ARG A 11 -6.560 3.730 -1.309 1.00 0.00 C ATOM 108 CG ARG A 11 -7.569 3.442 -2.417 1.00 0.00 C ATOM 109 CD ARG A 11 -7.008 3.929 -3.739 1.00 0.00 C ATOM 110 NE ARG A 11 -7.813 3.315 -4.810 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.573 3.959 -5.701 1.00 0.00 C ATOM 112 NH1 ARG A 11 -8.713 5.273 -5.719 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.246 3.243 -6.579 1.00 0.00 N ATOM 0 H ARG A 11 -5.431 4.160 0.904 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.181 4.232 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.129 4.723 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.736 3.017 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.777 2.373 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.514 3.941 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.054 5.016 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.959 3.649 -3.838 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.788 2.298 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.228 5.847 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.306 5.713 -6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.178 2.225 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.834 3.706 -7.271 1.00 0.00 H new ATOM 116 N ARG A 12 -6.965 1.446 1.070 1.00 0.00 N ATOM 117 CA ARG A 12 -7.415 0.169 1.666 1.00 0.00 C ATOM 118 C ARG A 12 -8.715 0.332 2.476 1.00 0.00 C ATOM 119 O ARG A 12 -9.688 -0.356 2.184 1.00 0.00 O ATOM 120 CB ARG A 12 -6.321 -0.419 2.548 1.00 0.00 C ATOM 121 CG ARG A 12 -5.310 -1.219 1.725 1.00 0.00 C ATOM 122 CD ARG A 12 -4.206 -1.811 2.603 1.00 0.00 C ATOM 123 NE ARG A 12 -4.819 -2.632 3.663 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.698 -2.442 4.976 1.00 0.00 C ATOM 125 NH1 ARG A 12 -4.164 -1.311 5.440 1.00 0.00 N ATOM 126 NH2 ARG A 12 -5.407 -3.165 5.814 1.00 0.00 N ATOM 0 H ARG A 12 -5.992 1.682 1.265 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.624 -0.514 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.808 0.384 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.769 -1.064 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.825 -2.022 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.865 -0.573 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.531 -2.419 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.608 -1.013 3.044 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.391 -3.421 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.848 -0.592 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.071 -1.166 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.051 -3.872 5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.314 -3.019 6.819 1.00 0.00 H new ATOM 129 N ILE A 13 -8.793 1.397 3.267 1.00 0.00 N ATOM 130 CA ILE A 13 -9.999 1.705 4.076 1.00 0.00 C ATOM 131 C ILE A 13 -11.201 2.030 3.163 1.00 0.00 C ATOM 132 O ILE A 13 -12.243 1.396 3.262 1.00 0.00 O ATOM 133 CB ILE A 13 -9.704 2.836 5.069 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.421 2.577 5.867 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.882 2.972 6.050 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.806 3.826 6.505 1.00 0.00 C ATOM 0 H ILE A 13 -8.038 2.074 3.375 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.268 0.824 4.658 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.568 3.754 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.637 1.852 6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.683 2.121 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.676 3.775 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.792 3.201 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.014 2.036 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.903 3.549 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.554 4.546 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.522 4.273 7.194 1.00 0.00 H new ATOM 138 N ALA A 14 -10.988 2.943 2.217 1.00 0.00 N ATOM 139 CA ALA A 14 -11.996 3.366 1.219 1.00 0.00 C ATOM 140 C ALA A 14 -12.617 2.218 0.395 1.00 0.00 C ATOM 141 O ALA A 14 -13.804 2.267 0.068 1.00 0.00 O ATOM 142 CB ALA A 14 -11.376 4.409 0.287 1.00 0.00 C ATOM 0 H ALA A 14 -10.095 3.425 2.112 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.825 3.788 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.115 4.724 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.054 5.272 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.516 3.975 -0.224 1.00 0.00 H new ATOM 144 N LEU A 15 -11.792 1.234 0.046 1.00 0.00 N ATOM 145 CA LEU A 15 -12.235 0.018 -0.661 1.00 0.00 C ATOM 146 C LEU A 15 -12.659 -1.152 0.238 1.00 0.00 C ATOM 147 O LEU A 15 -13.109 -2.189 -0.262 1.00 0.00 O ATOM 148 CB LEU A 15 -11.155 -0.426 -1.656 1.00 0.00 C ATOM 149 CG LEU A 15 -11.025 0.546 -2.837 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.774 0.208 -3.644 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.266 0.520 -3.734 1.00 0.00 C ATOM 0 H LEU A 15 -10.791 1.250 0.243 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.148 0.303 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.197 -0.501 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.394 -1.421 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.937 1.556 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.684 0.899 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.895 0.295 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.849 -0.812 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.134 1.221 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.406 -0.485 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.142 0.805 -3.151 1.00 0.00 H new ATOM 153 N LYS A 16 -12.596 -0.942 1.555 1.00 0.00 N ATOM 154 CA LYS A 16 -12.872 -1.934 2.619 1.00 0.00 C ATOM 155 C LYS A 16 -12.003 -3.191 2.518 1.00 0.00 C ATOM 156 O LYS A 16 -12.328 -4.288 2.991 1.00 0.00 O ATOM 157 CB LYS A 16 -14.356 -2.301 2.648 1.00 0.00 C ATOM 158 CG LYS A 16 -15.146 -1.094 3.136 1.00 0.00 C ATOM 159 CD LYS A 16 -16.639 -1.362 3.004 1.00 0.00 C ATOM 160 CE LYS A 16 -17.425 -0.052 2.908 1.00 0.00 C ATOM 161 NZ LYS A 16 -16.916 0.519 1.669 1.00 0.00 N ATOM 0 H LYS A 16 -12.339 -0.032 1.937 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.605 -1.453 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.692 -2.596 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.522 -3.153 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.897 -0.882 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.874 -0.212 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.826 -1.968 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.986 -1.937 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.500 -0.224 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.240 0.598 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.672 1.055 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.121 1.155 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.591 -0.245 1.043 1.00 0.00 H new ATOM 166 N MET A 17 -10.746 -2.869 2.259 1.00 0.00 N ATOM 167 CA MET A 17 -9.735 -3.835 1.831 1.00 0.00 C ATOM 168 C MET A 17 -8.659 -4.009 2.900 1.00 0.00 C ATOM 169 O MET A 17 -8.004 -3.067 3.352 1.00 0.00 O ATOM 170 CB MET A 17 -9.138 -3.302 0.528 1.00 0.00 C ATOM 171 CG MET A 17 -8.660 -4.468 -0.322 1.00 0.00 C ATOM 172 SD MET A 17 -8.100 -3.969 -1.987 1.00 0.00 S ATOM 173 CE MET A 17 -9.501 -4.555 -2.910 1.00 0.00 C ATOM 0 H MET A 17 -10.390 -1.917 2.340 1.00 0.00 H new ATOM 0 HA MET A 17 -10.179 -4.819 1.676 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.884 -2.722 -0.016 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.307 -2.630 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.842 -4.972 0.193 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.469 -5.192 -0.420 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.354 -4.343 -3.969 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.607 -5.630 -2.767 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.403 -4.052 -2.561 1.00 0.00 H new ATOM 175 N THR A 18 -8.481 -5.260 3.275 1.00 0.00 N ATOM 176 CA THR A 18 -7.421 -5.658 4.227 1.00 0.00 C ATOM 177 C THR A 18 -6.159 -6.057 3.463 1.00 0.00 C ATOM 178 O THR A 18 -6.231 -6.421 2.284 1.00 0.00 O ATOM 179 CB THR A 18 -7.863 -6.839 5.119 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.130 -7.986 4.308 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.054 -6.464 5.997 1.00 0.00 C ATOM 0 H THR A 18 -9.053 -6.036 2.941 1.00 0.00 H new ATOM 0 HA THR A 18 -7.220 -4.800 4.869 1.00 0.00 H new ATOM 0 HB THR A 18 -7.049 -7.088 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.408 -8.733 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.337 -7.319 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.782 -5.629 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.895 -6.176 5.366 1.00 0.00 H new ATOM 184 N GLN A 19 -5.015 -6.040 4.139 1.00 0.00 N ATOM 185 CA GLN A 19 -3.749 -6.476 3.507 1.00 0.00 C ATOM 186 C GLN A 19 -3.736 -7.925 3.050 1.00 0.00 C ATOM 187 O GLN A 19 -3.062 -8.263 2.093 1.00 0.00 O ATOM 188 CB GLN A 19 -2.589 -6.291 4.443 1.00 0.00 C ATOM 189 CG GLN A 19 -1.935 -4.976 4.047 1.00 0.00 C ATOM 190 CD GLN A 19 -1.439 -4.203 5.249 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.086 -4.707 6.311 1.00 0.00 O ATOM 192 NE2 GLN A 19 -1.485 -2.904 5.085 1.00 0.00 N ATOM 0 H GLN A 19 -4.925 -5.737 5.109 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.662 -5.844 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.925 -6.263 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.884 -7.118 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.100 -5.175 3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.651 -4.367 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.782 -2.513 4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.223 -2.284 5.851 1.00 0.00 H new ATOM 194 N THR A 20 -4.401 -8.775 3.836 1.00 0.00 N ATOM 195 CA THR A 20 -4.702 -10.168 3.488 1.00 0.00 C ATOM 196 C THR A 20 -5.415 -10.292 2.143 1.00 0.00 C ATOM 197 O THR A 20 -4.852 -10.823 1.192 1.00 0.00 O ATOM 198 CB THR A 20 -5.623 -10.706 4.594 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.462 -10.005 5.831 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.393 -12.205 4.785 1.00 0.00 C ATOM 0 H THR A 20 -4.754 -8.508 4.755 1.00 0.00 H new ATOM 0 HA THR A 20 -3.771 -10.728 3.405 1.00 0.00 H new ATOM 0 HB THR A 20 -6.651 -10.538 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.632 -10.294 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.050 -12.577 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.609 -12.728 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.355 -12.381 5.067 1.00 0.00 H new ATOM 203 N GLU A 21 -6.483 -9.504 2.015 1.00 0.00 N ATOM 204 CA GLU A 21 -7.330 -9.409 0.812 1.00 0.00 C ATOM 205 C GLU A 21 -6.524 -8.858 -0.389 1.00 0.00 C ATOM 206 O GLU A 21 -6.502 -9.426 -1.469 1.00 0.00 O ATOM 207 CB GLU A 21 -8.434 -8.418 1.126 1.00 0.00 C ATOM 208 CG GLU A 21 -9.770 -8.727 0.439 1.00 0.00 C ATOM 209 CD GLU A 21 -10.789 -7.636 0.747 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.707 -7.056 1.855 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.623 -7.384 -0.155 1.00 0.00 O ATOM 0 H GLU A 21 -6.798 -8.892 2.767 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.714 -10.396 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.590 -8.394 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.108 -7.421 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.623 -8.803 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.147 -9.692 0.779 1.00 0.00 H new ATOM 213 N LEU A 22 -5.809 -7.767 -0.117 1.00 0.00 N ATOM 214 CA LEU A 22 -4.951 -7.056 -1.078 1.00 0.00 C ATOM 215 C LEU A 22 -3.813 -7.960 -1.576 1.00 0.00 C ATOM 216 O LEU A 22 -3.591 -8.064 -2.770 1.00 0.00 O ATOM 217 CB LEU A 22 -4.472 -5.794 -0.352 1.00 0.00 C ATOM 218 CG LEU A 22 -3.401 -4.993 -1.077 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.884 -4.426 -2.418 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.997 -3.824 -0.183 1.00 0.00 C ATOM 0 H LEU A 22 -5.808 -7.336 0.807 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.483 -6.775 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.331 -5.146 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.087 -6.082 0.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.569 -5.665 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.076 -3.865 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.185 -5.244 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.734 -3.765 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.229 -3.233 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.867 -3.197 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.606 -4.205 0.760 1.00 0.00 H new ATOM 222 N ALA A 23 -3.217 -8.707 -0.641 1.00 0.00 N ATOM 223 CA ALA A 23 -2.193 -9.735 -0.906 1.00 0.00 C ATOM 224 C ALA A 23 -2.698 -10.809 -1.889 1.00 0.00 C ATOM 225 O ALA A 23 -2.081 -11.029 -2.932 1.00 0.00 O ATOM 226 CB ALA A 23 -1.769 -10.391 0.401 1.00 0.00 C ATOM 0 H ALA A 23 -3.437 -8.614 0.351 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.338 -9.240 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.013 -11.149 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.356 -9.636 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.634 -10.858 0.871 1.00 0.00 H new ATOM 228 N THR A 24 -3.872 -11.353 -1.579 1.00 0.00 N ATOM 229 CA THR A 24 -4.606 -12.340 -2.398 1.00 0.00 C ATOM 230 C THR A 24 -4.809 -11.838 -3.842 1.00 0.00 C ATOM 231 O THR A 24 -4.456 -12.527 -4.785 1.00 0.00 O ATOM 232 CB THR A 24 -5.924 -12.633 -1.657 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.613 -13.189 -0.376 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.856 -13.583 -2.408 1.00 0.00 C ATOM 0 H THR A 24 -4.366 -11.115 -0.719 1.00 0.00 H new ATOM 0 HA THR A 24 -4.041 -13.265 -2.512 1.00 0.00 H new ATOM 0 HB THR A 24 -6.458 -11.687 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.402 -12.467 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.762 -13.741 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.117 -13.149 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.354 -14.538 -2.564 1.00 0.00 H new ATOM 237 N LYS A 25 -5.256 -10.593 -3.957 1.00 0.00 N ATOM 238 CA LYS A 25 -5.438 -9.901 -5.259 1.00 0.00 C ATOM 239 C LYS A 25 -4.166 -9.598 -6.052 1.00 0.00 C ATOM 240 O LYS A 25 -4.118 -9.816 -7.257 1.00 0.00 O ATOM 241 CB LYS A 25 -6.191 -8.607 -5.016 1.00 0.00 C ATOM 242 CG LYS A 25 -7.663 -8.957 -4.902 1.00 0.00 C ATOM 243 CD LYS A 25 -8.391 -7.959 -4.013 1.00 0.00 C ATOM 244 CE LYS A 25 -9.710 -8.624 -3.648 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.693 -8.436 -4.722 1.00 0.00 N ATOM 0 H LYS A 25 -5.508 -10.018 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.989 -10.605 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.839 -8.123 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.025 -7.906 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.117 -8.966 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.772 -9.961 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.808 -7.730 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.558 -7.017 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.552 -9.688 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.092 -8.202 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.588 -8.895 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.856 -7.419 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.332 -8.860 -5.601 1.00 0.00 H new ATOM 250 N ALA A 26 -3.190 -9.010 -5.368 1.00 0.00 N ATOM 251 CA ALA A 26 -1.876 -8.659 -5.948 1.00 0.00 C ATOM 252 C ALA A 26 -1.007 -9.872 -6.359 1.00 0.00 C ATOM 253 O ALA A 26 -0.066 -9.725 -7.138 1.00 0.00 O ATOM 254 CB ALA A 26 -1.114 -7.760 -4.960 1.00 0.00 C ATOM 0 H ALA A 26 -3.279 -8.756 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.080 -8.130 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.144 -7.497 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.688 -6.852 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.969 -8.293 -4.020 1.00 0.00 H new ATOM 256 N GLY A 27 -1.330 -11.044 -5.816 1.00 0.00 N ATOM 257 CA GLY A 27 -0.603 -12.308 -6.038 1.00 0.00 C ATOM 258 C GLY A 27 0.599 -12.488 -5.099 1.00 0.00 C ATOM 259 O GLY A 27 1.666 -12.942 -5.518 1.00 0.00 O ATOM 0 H GLY A 27 -2.128 -11.151 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.290 -13.143 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.257 -12.344 -7.071 1.00 0.00 H new ATOM 261 N VAL A 28 0.397 -12.160 -3.814 1.00 0.00 N ATOM 262 CA VAL A 28 1.441 -12.206 -2.766 1.00 0.00 C ATOM 263 C VAL A 28 0.864 -12.491 -1.366 1.00 0.00 C ATOM 264 O VAL A 28 -0.293 -12.879 -1.204 1.00 0.00 O ATOM 265 CB VAL A 28 2.331 -10.946 -2.771 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.590 -11.163 -3.604 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.639 -9.625 -3.117 1.00 0.00 C ATOM 0 H VAL A 28 -0.509 -11.850 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 28 2.082 -13.051 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 28 2.608 -10.815 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.197 -10.258 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.163 -11.991 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.311 -11.395 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.367 -8.814 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.209 -9.690 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.848 -9.428 -2.394 1.00 0.00 H new ATOM 269 N LYS A 29 1.687 -12.258 -0.350 1.00 0.00 N ATOM 270 CA LYS A 29 1.360 -12.570 1.060 1.00 0.00 C ATOM 271 C LYS A 29 1.141 -11.326 1.917 1.00 0.00 C ATOM 272 O LYS A 29 1.592 -10.226 1.587 1.00 0.00 O ATOM 273 CB LYS A 29 2.448 -13.457 1.665 1.00 0.00 C ATOM 274 CG LYS A 29 2.291 -14.849 1.058 1.00 0.00 C ATOM 275 CD LYS A 29 3.253 -15.848 1.663 1.00 0.00 C ATOM 276 CE LYS A 29 2.673 -16.474 2.928 1.00 0.00 C ATOM 277 NZ LYS A 29 3.572 -17.602 3.216 1.00 0.00 N ATOM 0 H LYS A 29 2.611 -11.844 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 29 0.411 -13.106 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.437 -13.053 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.351 -13.498 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.268 -15.195 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.455 -14.795 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.475 -16.629 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.196 -15.353 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.652 -15.761 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.648 -16.811 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.249 -18.093 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.566 -18.264 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.538 -17.247 3.364 1.00 0.00 H new ATOM 282 N GLN A 30 0.411 -11.526 3.005 1.00 0.00 N ATOM 283 CA GLN A 30 0.068 -10.433 3.921 1.00 0.00 C ATOM 284 C GLN A 30 1.311 -9.648 4.404 1.00 0.00 C ATOM 285 O GLN A 30 1.435 -8.475 4.086 1.00 0.00 O ATOM 286 CB GLN A 30 -0.715 -10.961 5.126 1.00 0.00 C ATOM 287 CG GLN A 30 -1.519 -9.812 5.756 1.00 0.00 C ATOM 288 CD GLN A 30 -2.216 -10.284 7.021 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.293 -10.854 6.995 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.603 -10.085 8.165 1.00 0.00 N ATOM 0 H GLN A 30 0.041 -12.436 3.281 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.557 -9.740 3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.386 -11.761 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.031 -11.386 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.855 -8.980 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.256 -9.442 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.702 -9.608 8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.028 -10.408 9.034 1.00 0.00 H new ATOM 292 N GLN A 31 2.280 -10.377 4.963 1.00 0.00 N ATOM 293 CA GLN A 31 3.567 -9.825 5.430 1.00 0.00 C ATOM 294 C GLN A 31 4.301 -8.965 4.381 1.00 0.00 C ATOM 295 O GLN A 31 4.790 -7.887 4.702 1.00 0.00 O ATOM 296 CB GLN A 31 4.459 -10.992 5.887 1.00 0.00 C ATOM 297 CG GLN A 31 5.656 -10.542 6.735 1.00 0.00 C ATOM 298 CD GLN A 31 5.212 -9.937 8.073 1.00 0.00 C ATOM 299 OE1 GLN A 31 4.746 -10.614 8.982 1.00 0.00 O ATOM 300 NE2 GLN A 31 5.319 -8.634 8.208 1.00 0.00 N ATOM 0 H GLN A 31 2.197 -11.383 5.109 1.00 0.00 H new ATOM 0 HA GLN A 31 3.350 -9.147 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.858 -11.696 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.824 -11.527 5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.310 -11.394 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.239 -9.807 6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.707 -8.073 7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.014 -8.184 9.071 1.00 0.00 H new ATOM 302 N SER A 32 4.255 -9.432 3.131 1.00 0.00 N ATOM 303 CA SER A 32 4.810 -8.738 1.950 1.00 0.00 C ATOM 304 C SER A 32 4.263 -7.300 1.801 1.00 0.00 C ATOM 305 O SER A 32 5.036 -6.355 1.730 1.00 0.00 O ATOM 306 CB SER A 32 4.444 -9.555 0.714 1.00 0.00 C ATOM 307 OG SER A 32 4.773 -10.932 0.913 1.00 0.00 O ATOM 0 H SER A 32 3.821 -10.325 2.899 1.00 0.00 H new ATOM 0 HA SER A 32 5.890 -8.655 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.379 -9.455 0.506 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.976 -9.169 -0.156 1.00 0.00 H new ATOM 0 HG SER A 32 4.532 -11.445 0.114 1.00 0.00 H new ATOM 310 N ILE A 33 2.946 -7.177 1.893 1.00 0.00 N ATOM 311 CA ILE A 33 2.254 -5.865 1.807 1.00 0.00 C ATOM 312 C ILE A 33 2.390 -5.067 3.124 1.00 0.00 C ATOM 313 O ILE A 33 2.466 -3.837 3.114 1.00 0.00 O ATOM 314 CB ILE A 33 0.762 -6.068 1.452 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.516 -7.083 0.319 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.099 -4.714 1.152 1.00 0.00 C ATOM 317 CD1 ILE A 33 1.066 -6.738 -1.064 1.00 0.00 C ATOM 0 H ILE A 33 2.316 -7.968 2.029 1.00 0.00 H new ATOM 0 HA ILE A 33 2.731 -5.286 1.016 1.00 0.00 H new ATOM 0 HB ILE A 33 0.294 -6.511 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.944 -8.038 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.560 -7.231 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.951 -4.870 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.173 -4.071 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.604 -4.240 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.821 -7.538 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.621 -5.805 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.149 -6.625 -1.007 1.00 0.00 H new ATOM 319 N GLN A 34 2.379 -5.769 4.256 1.00 0.00 N ATOM 320 CA GLN A 34 2.620 -5.133 5.579 1.00 0.00 C ATOM 321 C GLN A 34 3.985 -4.440 5.679 1.00 0.00 C ATOM 322 O GLN A 34 4.141 -3.539 6.496 1.00 0.00 O ATOM 323 CB GLN A 34 2.539 -6.092 6.756 1.00 0.00 C ATOM 324 CG GLN A 34 1.209 -6.849 6.780 1.00 0.00 C ATOM 325 CD GLN A 34 1.069 -7.672 8.052 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.019 -8.902 8.038 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.864 -6.991 9.155 1.00 0.00 N ATOM 0 H GLN A 34 2.208 -6.774 4.299 1.00 0.00 H new ATOM 0 HA GLN A 34 1.811 -4.405 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.362 -6.804 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.658 -5.537 7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.383 -6.141 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.144 -7.504 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.911 -5.972 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.658 -7.481 10.026 1.00 0.00 H new ATOM 329 N LEU A 35 4.970 -4.915 4.921 1.00 0.00 N ATOM 330 CA LEU A 35 6.282 -4.269 4.774 1.00 0.00 C ATOM 331 C LEU A 35 6.211 -2.827 4.235 1.00 0.00 C ATOM 332 O LEU A 35 6.912 -1.932 4.714 1.00 0.00 O ATOM 333 CB LEU A 35 7.126 -5.181 3.891 1.00 0.00 C ATOM 334 CG LEU A 35 8.377 -5.672 4.640 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.041 -6.648 5.778 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.306 -6.373 3.645 1.00 0.00 C ATOM 0 H LEU A 35 4.882 -5.775 4.380 1.00 0.00 H new ATOM 0 HA LEU A 35 6.738 -4.148 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.530 -6.036 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.424 -4.646 2.990 1.00 0.00 H new ATOM 0 HG LEU A 35 8.856 -4.800 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.961 -6.962 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.391 -6.154 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.532 -7.521 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.197 -6.725 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.787 -7.221 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.596 -5.672 2.862 1.00 0.00 H new ATOM 338 N ILE A 36 5.278 -2.609 3.313 1.00 0.00 N ATOM 339 CA ILE A 36 4.920 -1.268 2.787 1.00 0.00 C ATOM 340 C ILE A 36 4.214 -0.467 3.892 1.00 0.00 C ATOM 341 O ILE A 36 4.650 0.622 4.245 1.00 0.00 O ATOM 342 CB ILE A 36 3.970 -1.334 1.574 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.243 -2.478 0.578 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.876 0.018 0.866 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.688 -2.673 0.128 1.00 0.00 C ATOM 0 H ILE A 36 4.733 -3.363 2.895 1.00 0.00 H new ATOM 0 HA ILE A 36 5.849 -0.795 2.468 1.00 0.00 H new ATOM 0 HB ILE A 36 2.998 -1.579 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.900 -3.409 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.632 -2.309 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.199 -0.063 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.498 0.767 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.865 0.315 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.742 -3.508 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.042 -1.766 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.314 -2.884 0.995 1.00 0.00 H new ATOM 347 N GLU A 37 3.169 -1.081 4.453 1.00 0.00 N ATOM 348 CA GLU A 37 2.406 -0.532 5.604 1.00 0.00 C ATOM 349 C GLU A 37 3.314 -0.103 6.776 1.00 0.00 C ATOM 350 O GLU A 37 3.105 0.950 7.381 1.00 0.00 O ATOM 351 CB GLU A 37 1.409 -1.604 6.057 1.00 0.00 C ATOM 352 CG GLU A 37 0.595 -1.181 7.283 1.00 0.00 C ATOM 353 CD GLU A 37 -0.159 -2.353 7.924 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.505 -3.358 8.269 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.390 -2.188 8.055 1.00 0.00 O ATOM 0 H GLU A 37 2.817 -1.981 4.127 1.00 0.00 H new ATOM 0 HA GLU A 37 1.890 0.373 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.729 -1.830 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.950 -2.522 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.262 -0.736 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.119 -0.410 6.992 1.00 0.00 H new ATOM 357 N ALA A 38 4.345 -0.909 7.026 1.00 0.00 N ATOM 358 CA ALA A 38 5.378 -0.690 8.050 1.00 0.00 C ATOM 359 C ALA A 38 6.331 0.488 7.744 1.00 0.00 C ATOM 360 O ALA A 38 6.993 0.991 8.648 1.00 0.00 O ATOM 361 CB ALA A 38 6.136 -2.016 8.220 1.00 0.00 C ATOM 0 H ALA A 38 4.494 -1.771 6.501 1.00 0.00 H new ATOM 0 HA ALA A 38 4.894 -0.393 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.914 -1.896 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.441 -2.794 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.591 -2.299 7.271 1.00 0.00 H new ATOM 363 N GLY A 39 6.277 0.978 6.505 1.00 0.00 N ATOM 364 CA GLY A 39 7.106 2.079 5.982 1.00 0.00 C ATOM 365 C GLY A 39 8.620 1.775 5.856 1.00 0.00 C ATOM 366 O GLY A 39 9.408 2.696 5.684 1.00 0.00 O ATOM 0 H GLY A 39 5.632 0.609 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.727 2.360 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.980 2.945 6.632 1.00 0.00 H new ATOM 368 N VAL A 40 8.967 0.490 5.778 1.00 0.00 N ATOM 369 CA VAL A 40 10.366 0.029 5.671 1.00 0.00 C ATOM 370 C VAL A 40 10.850 -0.179 4.227 1.00 0.00 C ATOM 371 O VAL A 40 12.011 -0.011 3.903 1.00 0.00 O ATOM 372 CB VAL A 40 10.611 -1.236 6.494 1.00 0.00 C ATOM 373 CG1 VAL A 40 10.999 -0.844 7.924 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.523 -2.305 6.478 1.00 0.00 C ATOM 0 H VAL A 40 8.287 -0.270 5.787 1.00 0.00 H new ATOM 0 HA VAL A 40 10.959 0.846 6.084 1.00 0.00 H new ATOM 0 HB VAL A 40 11.432 -1.742 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.174 -1.744 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.907 -0.242 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.192 -0.267 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.828 -3.144 7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.594 -1.885 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.368 -2.651 5.456 1.00 0.00 H new ATOM 376 N THR A 41 9.955 -0.761 3.436 1.00 0.00 N ATOM 377 CA THR A 41 10.184 -1.026 2.011 1.00 0.00 C ATOM 378 C THR A 41 9.934 0.237 1.174 1.00 0.00 C ATOM 379 O THR A 41 8.799 0.677 1.004 1.00 0.00 O ATOM 380 CB THR A 41 9.272 -2.187 1.600 1.00 0.00 C ATOM 381 OG1 THR A 41 9.479 -3.262 2.518 1.00 0.00 O ATOM 382 CG2 THR A 41 9.569 -2.703 0.183 1.00 0.00 C ATOM 0 H THR A 41 9.039 -1.067 3.765 1.00 0.00 H new ATOM 0 HA THR A 41 11.222 -1.305 1.832 1.00 0.00 H new ATOM 0 HB THR A 41 8.245 -1.823 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.368 -3.649 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.893 -3.525 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.425 -1.896 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.599 -3.055 0.132 1.00 0.00 H new ATOM 385 N LYS A 42 11.051 0.833 0.756 1.00 0.00 N ATOM 386 CA LYS A 42 11.096 2.064 -0.064 1.00 0.00 C ATOM 387 C LYS A 42 10.365 1.982 -1.416 1.00 0.00 C ATOM 388 O LYS A 42 9.893 2.986 -1.938 1.00 0.00 O ATOM 389 CB LYS A 42 12.546 2.493 -0.317 1.00 0.00 C ATOM 390 CG LYS A 42 13.206 3.221 0.861 1.00 0.00 C ATOM 391 CD LYS A 42 13.608 2.284 2.000 1.00 0.00 C ATOM 392 CE LYS A 42 14.187 3.102 3.158 1.00 0.00 C ATOM 393 NZ LYS A 42 13.954 2.306 4.354 1.00 0.00 N ATOM 0 H LYS A 42 11.978 0.471 0.979 1.00 0.00 H new ATOM 0 HA LYS A 42 10.559 2.802 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.137 1.609 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.572 3.143 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.091 3.749 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.519 3.975 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.742 1.716 2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.344 1.562 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.251 3.289 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.700 4.074 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.620 2.923 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.235 1.582 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.840 1.844 4.642 1.00 0.00 H new ATOM 398 N ARG A 43 10.506 0.820 -2.058 1.00 0.00 N ATOM 399 CA ARG A 43 9.776 0.443 -3.272 1.00 0.00 C ATOM 400 C ARG A 43 9.639 -1.082 -3.389 1.00 0.00 C ATOM 401 O ARG A 43 10.620 -1.802 -3.163 1.00 0.00 O ATOM 402 CB ARG A 43 10.364 1.004 -4.569 1.00 0.00 C ATOM 403 CG ARG A 43 11.852 0.750 -4.805 1.00 0.00 C ATOM 404 CD ARG A 43 12.199 0.766 -6.296 1.00 0.00 C ATOM 405 NE ARG A 43 11.731 1.999 -6.964 1.00 0.00 N ATOM 406 CZ ARG A 43 11.042 2.049 -8.106 1.00 0.00 C ATOM 407 NH1 ARG A 43 10.637 0.948 -8.736 1.00 0.00 N ATOM 408 NH2 ARG A 43 10.942 3.217 -8.735 1.00 0.00 N ATOM 0 H ARG A 43 11.149 0.095 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 43 8.794 0.901 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.808 0.582 -5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.195 2.081 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.438 1.509 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.129 -0.213 -4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.279 0.676 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.751 -0.101 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 43 11.954 2.887 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.852 0.030 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.112 1.023 -9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.386 4.047 -8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.421 3.282 -9.609 1.00 0.00 H new ATOM 411 N PRO A 44 8.402 -1.574 -3.526 1.00 0.00 N ATOM 412 CA PRO A 44 8.139 -2.990 -3.794 1.00 0.00 C ATOM 413 C PRO A 44 8.331 -3.327 -5.279 1.00 0.00 C ATOM 414 O PRO A 44 7.992 -2.545 -6.163 1.00 0.00 O ATOM 415 CB PRO A 44 6.686 -3.204 -3.370 1.00 0.00 C ATOM 416 CG PRO A 44 6.037 -1.835 -3.503 1.00 0.00 C ATOM 417 CD PRO A 44 7.158 -0.859 -3.153 1.00 0.00 C ATOM 0 HA PRO A 44 8.828 -3.638 -3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.193 -3.939 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.623 -3.574 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.663 -1.667 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.189 -1.728 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.057 0.076 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.148 -0.607 -2.093 1.00 0.00 H new ATOM 418 N ARG A 45 8.865 -4.519 -5.530 1.00 0.00 N ATOM 419 CA ARG A 45 8.815 -5.098 -6.894 1.00 0.00 C ATOM 420 C ARG A 45 7.362 -5.359 -7.338 1.00 0.00 C ATOM 421 O ARG A 45 6.942 -4.910 -8.398 1.00 0.00 O ATOM 422 CB ARG A 45 9.688 -6.362 -7.048 1.00 0.00 C ATOM 423 CG ARG A 45 9.343 -7.477 -6.041 1.00 0.00 C ATOM 424 CD ARG A 45 10.539 -7.883 -5.184 1.00 0.00 C ATOM 425 NE ARG A 45 11.116 -6.710 -4.498 1.00 0.00 N ATOM 426 CZ ARG A 45 10.715 -6.152 -3.353 1.00 0.00 C ATOM 427 NH1 ARG A 45 9.761 -6.675 -2.587 1.00 0.00 N ATOM 428 NH2 ARG A 45 11.050 -4.904 -3.104 1.00 0.00 N ATOM 0 H ARG A 45 9.330 -5.101 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 45 9.245 -4.350 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.575 -6.750 -8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.736 -6.087 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.534 -7.139 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.975 -8.349 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.229 -8.624 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.297 -8.353 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 45 11.917 -6.273 -4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.300 -7.541 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.490 -6.210 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.606 -4.381 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.753 -4.460 -2.235 1.00 0.00 H new ATOM 431 N PHE A 46 6.561 -5.822 -6.379 1.00 0.00 N ATOM 432 CA PHE A 46 5.098 -6.017 -6.547 1.00 0.00 C ATOM 433 C PHE A 46 4.246 -4.737 -6.456 1.00 0.00 C ATOM 434 O PHE A 46 3.034 -4.793 -6.296 1.00 0.00 O ATOM 435 CB PHE A 46 4.576 -7.135 -5.634 1.00 0.00 C ATOM 436 CG PHE A 46 5.109 -7.134 -4.197 1.00 0.00 C ATOM 437 CD1 PHE A 46 4.447 -6.337 -3.230 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.206 -7.943 -3.842 1.00 0.00 C ATOM 439 CE1 PHE A 46 4.883 -6.365 -1.883 1.00 0.00 C ATOM 440 CE2 PHE A 46 6.637 -7.979 -2.500 1.00 0.00 C ATOM 441 CZ PHE A 46 5.971 -7.189 -1.538 1.00 0.00 C ATOM 0 H PHE A 46 6.900 -6.078 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 46 4.974 -6.333 -7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.489 -7.068 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.821 -8.094 -6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.615 -5.712 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.713 -8.531 -4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.389 -5.765 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.468 -8.605 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.305 -7.218 -0.511 1.00 0.00 H new ATOM 443 N LEU A 47 4.877 -3.592 -6.737 1.00 0.00 N ATOM 444 CA LEU A 47 4.230 -2.262 -6.812 1.00 0.00 C ATOM 445 C LEU A 47 3.067 -2.211 -7.816 1.00 0.00 C ATOM 446 O LEU A 47 1.948 -1.852 -7.472 1.00 0.00 O ATOM 447 CB LEU A 47 5.341 -1.278 -7.219 1.00 0.00 C ATOM 448 CG LEU A 47 4.864 0.159 -7.432 1.00 0.00 C ATOM 449 CD1 LEU A 47 4.777 0.904 -6.109 1.00 0.00 C ATOM 450 CD2 LEU A 47 5.847 0.863 -8.377 1.00 0.00 C ATOM 0 H LEU A 47 5.879 -3.555 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 47 3.783 -2.012 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.113 -1.282 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.806 -1.634 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 47 3.866 0.149 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.436 1.924 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.073 0.395 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.760 0.928 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.522 1.891 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.842 0.864 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.876 0.336 -9.330 1.00 0.00 H new ATOM 452 N PHE A 48 3.353 -2.694 -9.028 1.00 0.00 N ATOM 453 CA PHE A 48 2.362 -2.850 -10.107 1.00 0.00 C ATOM 454 C PHE A 48 1.144 -3.669 -9.644 1.00 0.00 C ATOM 455 O PHE A 48 0.010 -3.196 -9.682 1.00 0.00 O ATOM 456 CB PHE A 48 3.053 -3.556 -11.279 1.00 0.00 C ATOM 457 CG PHE A 48 2.207 -3.511 -12.553 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.166 -2.320 -13.313 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.383 -4.614 -12.867 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.272 -2.228 -14.407 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.489 -4.523 -13.962 1.00 0.00 C ATOM 462 CZ PHE A 48 0.439 -3.328 -14.719 1.00 0.00 C ATOM 0 H PHE A 48 4.291 -2.993 -9.295 1.00 0.00 H new ATOM 0 HA PHE A 48 1.994 -1.868 -10.404 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.018 -3.086 -11.468 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.251 -4.594 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.809 -1.490 -13.062 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.434 -5.518 -12.278 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.226 -1.325 -14.998 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.148 -5.357 -14.217 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.247 -3.255 -15.550 1.00 0.00 H new ATOM 464 N GLU A 49 1.472 -4.793 -9.030 1.00 0.00 N ATOM 465 CA GLU A 49 0.486 -5.769 -8.488 1.00 0.00 C ATOM 466 C GLU A 49 -0.390 -5.193 -7.374 1.00 0.00 C ATOM 467 O GLU A 49 -1.620 -5.227 -7.514 1.00 0.00 O ATOM 468 CB GLU A 49 1.247 -7.033 -8.069 1.00 0.00 C ATOM 469 CG GLU A 49 1.691 -7.914 -9.256 1.00 0.00 C ATOM 470 CD GLU A 49 2.762 -7.281 -10.156 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.721 -6.690 -9.603 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.549 -7.290 -11.391 1.00 0.00 O ATOM 0 H GLU A 49 2.441 -5.076 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.231 -6.023 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.127 -6.743 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.615 -7.624 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.073 -8.858 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.817 -8.149 -9.864 1.00 0.00 H new ATOM 474 N ILE A 50 0.211 -4.512 -6.396 1.00 0.00 N ATOM 475 CA ILE A 50 -0.559 -3.837 -5.327 1.00 0.00 C ATOM 476 C ILE A 50 -1.511 -2.780 -5.905 1.00 0.00 C ATOM 477 O ILE A 50 -2.720 -2.826 -5.641 1.00 0.00 O ATOM 478 CB ILE A 50 0.324 -3.225 -4.223 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.220 -4.313 -3.604 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.566 -2.581 -3.136 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.294 -3.744 -2.657 1.00 0.00 C ATOM 0 H ILE A 50 1.222 -4.408 -6.314 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.148 -4.621 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 50 0.960 -2.454 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.597 -5.019 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.708 -4.872 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.064 -2.150 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.177 -1.797 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.214 -3.341 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.893 -4.561 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.939 -3.059 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.811 -3.209 -1.839 1.00 0.00 H new ATOM 483 N ALA A 51 -0.977 -1.889 -6.732 1.00 0.00 N ATOM 484 CA ALA A 51 -1.749 -0.758 -7.266 1.00 0.00 C ATOM 485 C ALA A 51 -2.972 -1.190 -8.077 1.00 0.00 C ATOM 486 O ALA A 51 -4.071 -0.715 -7.824 1.00 0.00 O ATOM 487 CB ALA A 51 -0.835 0.116 -8.117 1.00 0.00 C ATOM 0 H ALA A 51 -0.009 -1.923 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.131 -0.196 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.403 0.957 -8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.015 0.490 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.432 -0.473 -8.941 1.00 0.00 H new ATOM 489 N MET A 52 -2.793 -2.234 -8.893 1.00 0.00 N ATOM 490 CA MET A 52 -3.876 -2.830 -9.689 1.00 0.00 C ATOM 491 C MET A 52 -4.925 -3.586 -8.849 1.00 0.00 C ATOM 492 O MET A 52 -6.112 -3.321 -8.991 1.00 0.00 O ATOM 493 CB MET A 52 -3.254 -3.673 -10.795 1.00 0.00 C ATOM 494 CG MET A 52 -2.901 -2.796 -12.000 1.00 0.00 C ATOM 495 SD MET A 52 -1.701 -1.458 -11.660 1.00 0.00 S ATOM 496 CE MET A 52 -2.191 -0.279 -12.897 1.00 0.00 C ATOM 0 H MET A 52 -1.891 -2.692 -9.022 1.00 0.00 H new ATOM 0 HA MET A 52 -4.460 -2.028 -10.141 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.357 -4.169 -10.423 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.949 -4.456 -11.098 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.498 -3.433 -12.788 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.818 -2.351 -12.387 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.418 0.483 -13.000 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.327 -0.788 -13.851 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.128 0.192 -12.600 1.00 0.00 H new ATOM 498 N ALA A 53 -4.443 -4.295 -7.823 1.00 0.00 N ATOM 499 CA ALA A 53 -5.294 -4.931 -6.799 1.00 0.00 C ATOM 500 C ALA A 53 -6.197 -3.907 -6.069 1.00 0.00 C ATOM 501 O ALA A 53 -7.374 -4.148 -5.805 1.00 0.00 O ATOM 502 CB ALA A 53 -4.366 -5.627 -5.803 1.00 0.00 C ATOM 0 H ALA A 53 -3.445 -4.448 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.965 -5.643 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.961 -6.110 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.770 -6.377 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.705 -4.891 -5.346 1.00 0.00 H new ATOM 504 N LEU A 54 -5.603 -2.749 -5.806 1.00 0.00 N ATOM 505 CA LEU A 54 -6.217 -1.583 -5.134 1.00 0.00 C ATOM 506 C LEU A 54 -6.842 -0.552 -6.104 1.00 0.00 C ATOM 507 O LEU A 54 -7.161 0.582 -5.742 1.00 0.00 O ATOM 508 CB LEU A 54 -5.066 -0.979 -4.311 1.00 0.00 C ATOM 509 CG LEU A 54 -5.549 -0.056 -3.192 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.190 -0.846 -2.050 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.408 0.811 -2.674 1.00 0.00 C ATOM 0 H LEU A 54 -4.631 -2.577 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.067 -1.886 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.474 -1.786 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.406 -0.421 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.314 0.597 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.521 -0.158 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.046 -1.404 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.460 -1.540 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.776 1.459 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.614 0.173 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.017 1.422 -3.488 1.00 0.00 H new ATOM 513 N ASN A 55 -6.978 -0.948 -7.376 1.00 0.00 N ATOM 514 CA ASN A 55 -7.588 -0.168 -8.471 1.00 0.00 C ATOM 515 C ASN A 55 -7.021 1.269 -8.623 1.00 0.00 C ATOM 516 O ASN A 55 -7.684 2.186 -9.100 1.00 0.00 O ATOM 517 CB ASN A 55 -9.108 -0.170 -8.287 1.00 0.00 C ATOM 518 CG ASN A 55 -9.834 -0.280 -9.622 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.484 -1.269 -9.925 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.721 0.723 -10.467 1.00 0.00 N ATOM 0 H ASN A 55 -6.652 -1.863 -7.689 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.325 -0.655 -9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.396 -1.003 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.415 0.744 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.177 0.676 -11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.177 1.547 -10.211 1.00 0.00 H new ATOM 522 N CYS A 56 -5.728 1.397 -8.336 1.00 0.00 N ATOM 523 CA CYS A 56 -5.019 2.685 -8.377 1.00 0.00 C ATOM 524 C CYS A 56 -3.682 2.586 -9.156 1.00 0.00 C ATOM 525 O CYS A 56 -3.414 1.613 -9.854 1.00 0.00 O ATOM 526 CB CYS A 56 -4.859 3.200 -6.939 1.00 0.00 C ATOM 527 SG CYS A 56 -4.506 4.999 -6.885 1.00 0.00 S ATOM 0 H CYS A 56 -5.136 0.611 -8.067 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.605 3.415 -8.935 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.770 2.993 -6.377 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.051 2.658 -6.448 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.534 5.226 -6.052 1.00 0.00 H new ATOM 529 N ASP A 57 -2.801 3.536 -8.888 1.00 0.00 N ATOM 530 CA ASP A 57 -1.615 3.844 -9.711 1.00 0.00 C ATOM 531 C ASP A 57 -0.303 3.405 -9.013 1.00 0.00 C ATOM 532 O ASP A 57 -0.076 3.786 -7.864 1.00 0.00 O ATOM 533 CB ASP A 57 -1.721 5.365 -9.928 1.00 0.00 C ATOM 534 CG ASP A 57 -0.558 5.974 -10.715 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.442 5.643 -11.914 1.00 0.00 O ATOM 536 OD2 ASP A 57 0.297 6.576 -10.041 1.00 0.00 O ATOM 0 H ASP A 57 -2.883 4.139 -8.070 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.587 3.303 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.652 5.581 -10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.782 5.855 -8.956 1.00 0.00 H new ATOM 538 N PRO A 58 0.595 2.710 -9.725 1.00 0.00 N ATOM 539 CA PRO A 58 1.893 2.249 -9.187 1.00 0.00 C ATOM 540 C PRO A 58 2.760 3.390 -8.643 1.00 0.00 C ATOM 541 O PRO A 58 3.243 3.313 -7.512 1.00 0.00 O ATOM 542 CB PRO A 58 2.589 1.545 -10.346 1.00 0.00 C ATOM 543 CG PRO A 58 1.432 1.023 -11.185 1.00 0.00 C ATOM 544 CD PRO A 58 0.385 2.141 -11.076 1.00 0.00 C ATOM 0 HA PRO A 58 1.733 1.590 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.219 2.230 -10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.231 0.736 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.730 0.851 -12.219 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.051 0.076 -10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.526 2.894 -11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.626 1.751 -11.190 1.00 0.00 H new ATOM 545 N VAL A 59 2.836 4.494 -9.381 1.00 0.00 N ATOM 546 CA VAL A 59 3.641 5.672 -8.978 1.00 0.00 C ATOM 547 C VAL A 59 3.103 6.246 -7.647 1.00 0.00 C ATOM 548 O VAL A 59 3.840 6.389 -6.678 1.00 0.00 O ATOM 549 CB VAL A 59 3.660 6.737 -10.093 1.00 0.00 C ATOM 550 CG1 VAL A 59 4.707 7.804 -9.811 1.00 0.00 C ATOM 551 CG2 VAL A 59 4.013 6.159 -11.469 1.00 0.00 C ATOM 0 H VAL A 59 2.350 4.610 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 59 4.673 5.358 -8.821 1.00 0.00 H new ATOM 0 HB VAL A 59 2.649 7.145 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.699 8.542 -10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.481 8.294 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.692 7.341 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.010 6.958 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.003 5.704 -11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.277 5.404 -11.746 1.00 0.00 H new ATOM 553 N TRP A 60 1.776 6.360 -7.573 1.00 0.00 N ATOM 554 CA TRP A 60 1.029 6.770 -6.371 1.00 0.00 C ATOM 555 C TRP A 60 1.308 5.899 -5.134 1.00 0.00 C ATOM 556 O TRP A 60 1.639 6.443 -4.082 1.00 0.00 O ATOM 557 CB TRP A 60 -0.459 6.772 -6.731 1.00 0.00 C ATOM 558 CG TRP A 60 -1.380 7.015 -5.540 1.00 0.00 C ATOM 559 CD1 TRP A 60 -1.759 8.207 -5.088 1.00 0.00 C ATOM 560 CD2 TRP A 60 -2.019 6.046 -4.763 1.00 0.00 C ATOM 561 NE1 TRP A 60 -2.631 8.057 -4.083 1.00 0.00 N ATOM 562 CE2 TRP A 60 -2.825 6.754 -3.852 1.00 0.00 C ATOM 563 CE3 TRP A 60 -1.922 4.644 -4.695 1.00 0.00 C ATOM 564 CZ2 TRP A 60 -3.561 6.076 -2.872 1.00 0.00 C ATOM 565 CZ3 TRP A 60 -2.653 3.962 -3.694 1.00 0.00 C ATOM 566 CH2 TRP A 60 -3.460 4.676 -2.791 1.00 0.00 C ATOM 0 H TRP A 60 1.168 6.165 -8.369 1.00 0.00 H new ATOM 0 HA TRP A 60 1.364 7.765 -6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.641 7.541 -7.482 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.714 5.815 -7.187 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.415 9.155 -5.474 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.078 8.819 -3.573 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.302 4.100 -5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.196 6.620 -2.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.591 2.886 -3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.008 4.144 -2.027 1.00 0.00 H new ATOM 569 N LEU A 61 1.258 4.580 -5.318 1.00 0.00 N ATOM 570 CA LEU A 61 1.571 3.555 -4.309 1.00 0.00 C ATOM 571 C LEU A 61 2.934 3.769 -3.627 1.00 0.00 C ATOM 572 O LEU A 61 3.159 3.341 -2.498 1.00 0.00 O ATOM 573 CB LEU A 61 1.503 2.218 -5.063 1.00 0.00 C ATOM 574 CG LEU A 61 1.022 0.994 -4.272 1.00 0.00 C ATOM 575 CD1 LEU A 61 2.045 0.522 -3.235 1.00 0.00 C ATOM 576 CD2 LEU A 61 -0.379 1.194 -3.688 1.00 0.00 C ATOM 0 H LEU A 61 0.987 4.173 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 61 0.862 3.594 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.844 2.347 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.497 1.999 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 61 0.934 0.177 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.652 -0.346 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.974 0.251 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.238 1.325 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.675 0.301 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.373 2.050 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.088 1.373 -4.496 1.00 0.00 H new ATOM 578 N GLN A 62 3.839 4.417 -4.354 1.00 0.00 N ATOM 579 CA GLN A 62 5.151 4.852 -3.834 1.00 0.00 C ATOM 580 C GLN A 62 5.189 6.298 -3.320 1.00 0.00 C ATOM 581 O GLN A 62 5.577 6.555 -2.176 1.00 0.00 O ATOM 582 CB GLN A 62 6.186 4.691 -4.949 1.00 0.00 C ATOM 583 CG GLN A 62 7.015 3.425 -4.776 1.00 0.00 C ATOM 584 CD GLN A 62 8.151 3.366 -5.812 1.00 0.00 C ATOM 585 OE1 GLN A 62 8.082 2.413 -6.715 1.00 0.00 O flip ATOM 586 NE2 GLN A 62 9.107 4.130 -5.782 1.00 0.00 N flip ATOM 0 H GLN A 62 3.690 4.662 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 62 5.368 4.224 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.679 4.664 -5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.846 5.558 -4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.433 3.394 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.375 2.549 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.150 4.866 -5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.861 4.031 -6.462 1.00 0.00 H new ATOM 588 N TYR A 63 4.690 7.219 -4.140 1.00 0.00 N ATOM 589 CA TYR A 63 4.935 8.667 -4.007 1.00 0.00 C ATOM 590 C TYR A 63 3.742 9.530 -3.558 1.00 0.00 C ATOM 591 O TYR A 63 3.956 10.550 -2.892 1.00 0.00 O ATOM 592 CB TYR A 63 5.459 9.167 -5.355 1.00 0.00 C ATOM 593 CG TYR A 63 6.804 8.562 -5.765 1.00 0.00 C ATOM 594 CD1 TYR A 63 7.871 8.458 -4.855 1.00 0.00 C ATOM 595 CD2 TYR A 63 6.908 8.045 -7.080 1.00 0.00 C ATOM 596 CE1 TYR A 63 9.052 7.791 -5.241 1.00 0.00 C ATOM 597 CE2 TYR A 63 8.089 7.384 -7.475 1.00 0.00 C ATOM 598 CZ TYR A 63 9.138 7.251 -6.546 1.00 0.00 C ATOM 599 OH TYR A 63 10.218 6.505 -6.862 1.00 0.00 O ATOM 0 H TYR A 63 4.092 6.984 -4.932 1.00 0.00 H new ATOM 0 HA TYR A 63 5.652 8.780 -3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.722 8.942 -6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.558 10.252 -5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.787 8.886 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.089 8.156 -7.775 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.878 7.694 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.187 6.986 -8.474 1.00 0.00 H new ATOM 0 HH TYR A 63 10.144 6.198 -7.790 1.00 0.00 H new ATOM 602 N GLY A 64 2.535 9.072 -3.855 1.00 0.00 N ATOM 603 CA GLY A 64 1.295 9.842 -3.650 1.00 0.00 C ATOM 604 C GLY A 64 0.919 10.761 -4.827 1.00 0.00 C ATOM 605 O GLY A 64 0.290 11.799 -4.642 1.00 0.00 O ATOM 0 H GLY A 64 2.376 8.145 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.475 9.147 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.402 10.448 -2.750 1.00 0.00 H new ATOM 607 N THR A 65 1.272 10.326 -6.032 1.00 0.00 N ATOM 608 CA THR A 65 0.976 11.055 -7.282 1.00 0.00 C ATOM 609 C THR A 65 -0.487 10.857 -7.731 1.00 0.00 C ATOM 610 O THR A 65 -0.808 9.960 -8.503 1.00 0.00 O ATOM 611 CB THR A 65 1.927 10.607 -8.395 1.00 0.00 C ATOM 612 OG1 THR A 65 1.797 9.195 -8.569 1.00 0.00 O ATOM 613 CG2 THR A 65 3.374 11.022 -8.136 1.00 0.00 C ATOM 0 H THR A 65 1.776 9.452 -6.181 1.00 0.00 H new ATOM 0 HA THR A 65 1.123 12.117 -7.083 1.00 0.00 H new ATOM 0 HB THR A 65 1.647 11.113 -9.319 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.848 8.960 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.004 10.678 -8.957 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.434 12.108 -8.063 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.719 10.576 -7.203 1.00 0.00 H new ATOM 616 N LYS A 66 -1.355 11.589 -7.044 1.00 0.00 N ATOM 617 CA LYS A 66 -2.784 11.667 -7.391 1.00 0.00 C ATOM 618 C LYS A 66 -3.162 13.155 -7.427 1.00 0.00 C ATOM 619 O LYS A 66 -2.561 13.936 -8.149 1.00 0.00 O ATOM 620 CB LYS A 66 -3.555 10.825 -6.376 1.00 0.00 C ATOM 621 CG LYS A 66 -4.858 10.248 -6.933 1.00 0.00 C ATOM 622 CD LYS A 66 -5.607 9.591 -5.769 1.00 0.00 C ATOM 623 CE LYS A 66 -6.656 8.583 -6.241 1.00 0.00 C ATOM 624 NZ LYS A 66 -7.647 9.279 -7.076 1.00 0.00 N ATOM 0 H LYS A 66 -1.097 12.148 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.030 11.259 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.920 10.007 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.781 11.438 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.464 11.034 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.650 9.518 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.891 9.088 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.093 10.363 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.181 7.783 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.145 8.119 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.466 8.658 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.958 10.147 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.219 9.525 -7.991 1.00 0.00 H new ATOM 629 N ARG A 67 -4.015 13.558 -6.480 1.00 0.00 N ATOM 630 CA ARG A 67 -4.395 14.957 -6.299 1.00 0.00 C ATOM 631 C ARG A 67 -3.414 15.598 -5.312 1.00 0.00 C ATOM 632 O ARG A 67 -3.137 15.068 -4.242 1.00 0.00 O ATOM 633 CB ARG A 67 -5.833 14.972 -5.767 1.00 0.00 C ATOM 634 CG ARG A 67 -6.396 16.388 -5.725 1.00 0.00 C ATOM 635 CD ARG A 67 -7.805 16.382 -5.149 1.00 0.00 C ATOM 636 NE ARG A 67 -7.755 15.969 -3.736 1.00 0.00 N ATOM 637 CZ ARG A 67 -8.468 14.985 -3.173 1.00 0.00 C ATOM 638 NH1 ARG A 67 -9.333 14.271 -3.874 1.00 0.00 N ATOM 639 NH2 ARG A 67 -8.266 14.669 -1.906 1.00 0.00 N ATOM 0 H ARG A 67 -4.460 12.921 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.355 15.525 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.463 14.347 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.857 14.539 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.751 17.025 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.409 16.811 -6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.248 17.374 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.439 15.700 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.116 16.482 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.469 14.465 -4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.864 13.527 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.569 15.174 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.808 13.920 -1.475 1.00 0.00 H new ATOM 642 N GLY A 68 -2.847 16.695 -5.806 1.00 0.00 N ATOM 643 CA GLY A 68 -1.786 17.461 -5.124 1.00 0.00 C ATOM 644 C GLY A 68 -0.777 18.008 -6.141 1.00 0.00 C ATOM 645 O GLY A 68 -1.014 19.075 -6.713 1.00 0.00 O ATOM 0 H GLY A 68 -3.111 17.091 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.228 18.284 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.275 16.822 -4.404 1.00 0.00 H new ATOM 647 N LYS A 69 0.256 17.272 -6.510 1.00 0.00 N ATOM 648 CA LYS A 69 0.501 15.848 -6.159 1.00 0.00 C ATOM 649 C LYS A 69 1.750 15.672 -5.291 1.00 0.00 C ATOM 650 O LYS A 69 2.728 16.413 -5.411 1.00 0.00 O ATOM 651 CB LYS A 69 0.567 14.986 -7.429 1.00 0.00 C ATOM 652 CG LYS A 69 1.736 15.315 -8.370 1.00 0.00 C ATOM 653 CD LYS A 69 1.590 14.550 -9.688 1.00 0.00 C ATOM 654 CE LYS A 69 2.776 14.813 -10.627 1.00 0.00 C ATOM 655 NZ LYS A 69 3.981 14.146 -10.117 1.00 0.00 N ATOM 0 H LYS A 69 0.998 17.655 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.341 15.506 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.638 13.938 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.367 15.101 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.764 16.387 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.680 15.053 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.517 13.482 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.663 14.845 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.545 14.448 -11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.952 15.885 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.741 14.215 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.285 14.606 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.771 13.145 -9.931 1.00 0.00 H new ATOM 660 N ALA A 70 1.673 14.661 -4.428 1.00 0.00 N ATOM 661 CA ALA A 70 2.743 14.356 -3.461 1.00 0.00 C ATOM 662 C ALA A 70 3.840 13.502 -4.119 1.00 0.00 C ATOM 663 O ALA A 70 3.578 12.568 -4.869 1.00 0.00 O ATOM 664 CB ALA A 70 2.121 13.645 -2.254 1.00 0.00 C ATOM 0 H ALA A 70 0.874 14.029 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 70 3.218 15.278 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.900 13.412 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.377 14.295 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.643 12.722 -2.582 1.00 0.00 H new ATOM 666 N ALA A 71 5.050 14.034 -3.977 1.00 0.00 N ATOM 667 CA ALA A 71 6.299 13.516 -4.592 1.00 0.00 C ATOM 668 C ALA A 71 6.198 13.360 -6.137 1.00 0.00 C ATOM 669 O ALA A 71 6.934 12.530 -6.717 1.00 0.00 O ATOM 670 CB ALA A 71 6.774 12.251 -3.861 1.00 0.00 C ATOM 0 H ALA A 71 5.209 14.869 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 71 7.078 14.267 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.690 11.885 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.966 12.486 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.003 11.483 -3.925 1.00 0.00 H new TER 672 ALA A 71