USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 673 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 63 SER OG : rot 23:sc= -0.515 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.654 K(o=0.14,f=-3.5) USER MOD Set 2.1: A 24 CYS SG : rot -109:sc= -0.981 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 167:sc= -1.33 (180deg=-1.38) USER MOD Single : A 22 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= -0.983! (180deg=-1.2!) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= -0.0938 (180deg=-0.142) USER MOD Single : A 42 SER OG : rot 53:sc= 1.36 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 72:sc= -0.186! USER MOD Single : A 48 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-1.8) USER MOD Single : A 49 MET CE :methyl 162:sc= -7.55! (180deg=-8.92!) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0.43 (180deg=0.333) USER MOD Single : A 54 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-7.2!) USER MOD Single : A 64 GLN : amide:sc= -16.2! C(o=-16!,f=-11!) USER MOD Single : A 69 SER OG : rot -22:sc= 1.06 USER MOD Single : A 74 THR OG1 : rot 100:sc= 1.16 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.0516 (180deg=-0.271) USER MOD Single : A 77 MET CE :methyl -111:sc= -1.87! (180deg=-3.12!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.0515 (180deg=-0.31) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD Single : A 95 SER OG : rot -46:sc= 0.808 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 100 ASN : amide:sc= 0.291 K(o=0.29,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -18.975 -5.605 5.245 1.00 0.00 N ATOM 2 CA GLY A 21 -19.093 -6.721 4.265 1.00 0.00 C ATOM 3 C GLY A 21 -18.299 -6.466 2.999 1.00 0.00 C ATOM 4 O GLY A 21 -17.548 -7.330 2.546 1.00 0.00 O ATOM 0 HA2 GLY A 21 -18.747 -7.645 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -20.142 -6.867 4.009 1.00 0.00 H new ATOM 8 N TYR A 22 -18.465 -5.278 2.428 1.00 0.00 N ATOM 9 CA TYR A 22 -17.759 -4.911 1.206 1.00 0.00 C ATOM 10 C TYR A 22 -16.495 -4.116 1.522 1.00 0.00 C ATOM 11 O TYR A 22 -16.172 -3.146 0.837 1.00 0.00 O ATOM 12 CB TYR A 22 -18.676 -4.097 0.289 1.00 0.00 C ATOM 13 CG TYR A 22 -19.265 -2.871 0.952 1.00 0.00 C ATOM 14 CD1 TYR A 22 -20.468 -2.943 1.645 1.00 0.00 C ATOM 15 CD2 TYR A 22 -18.619 -1.643 0.885 1.00 0.00 C ATOM 16 CE1 TYR A 22 -21.010 -1.825 2.251 1.00 0.00 C ATOM 17 CE2 TYR A 22 -19.155 -0.521 1.490 1.00 0.00 C ATOM 18 CZ TYR A 22 -20.349 -0.617 2.171 1.00 0.00 C ATOM 19 OH TYR A 22 -20.886 0.498 2.773 1.00 0.00 O ATOM 0 H TYR A 22 -19.083 -4.552 2.792 1.00 0.00 H new ATOM 0 HA TYR A 22 -17.467 -5.828 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -18.113 -3.788 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -19.487 -4.736 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -20.987 -3.888 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -17.683 -1.563 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -21.946 -1.897 2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -18.640 0.426 1.429 1.00 0.00 H new ATOM 0 HH TYR A 22 -20.203 1.198 2.834 1.00 0.00 H new ATOM 29 N GLU A 23 -15.783 -4.536 2.563 1.00 0.00 N ATOM 30 CA GLU A 23 -14.555 -3.863 2.969 1.00 0.00 C ATOM 31 C GLU A 23 -13.353 -4.425 2.218 1.00 0.00 C ATOM 32 O GLU A 23 -13.324 -5.604 1.866 1.00 0.00 O ATOM 33 CB GLU A 23 -14.343 -4.012 4.477 1.00 0.00 C ATOM 34 CG GLU A 23 -15.466 -3.418 5.310 1.00 0.00 C ATOM 35 CD GLU A 23 -15.646 -1.932 5.073 1.00 0.00 C ATOM 36 OE1 GLU A 23 -15.000 -1.135 5.787 1.00 0.00 O ATOM 37 OE2 GLU A 23 -16.432 -1.564 4.175 1.00 0.00 O ATOM 0 H GLU A 23 -16.035 -5.338 3.140 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.652 -2.805 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.243 -5.070 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.404 -3.532 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.397 -3.934 5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.260 -3.591 6.366 1.00 0.00 H new ATOM 44 N CYS A 24 -12.361 -3.573 1.974 1.00 0.00 N ATOM 45 CA CYS A 24 -11.156 -3.982 1.262 1.00 0.00 C ATOM 46 C CYS A 24 -9.929 -3.813 2.157 1.00 0.00 C ATOM 47 O CYS A 24 -9.905 -2.947 3.030 1.00 0.00 O ATOM 48 CB CYS A 24 -11.011 -3.162 -0.023 1.00 0.00 C ATOM 49 SG CYS A 24 -12.523 -3.101 -1.010 1.00 0.00 S ATOM 0 H CYS A 24 -12.369 -2.594 2.260 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.237 -5.036 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.713 -2.146 0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.209 -3.586 -0.627 1.00 0.00 H new ATOM 0 HG CYS A 24 -12.366 -3.810 -2.089 1.00 0.00 H new ATOM 55 N GLN A 25 -8.916 -4.648 1.942 1.00 0.00 N ATOM 56 CA GLN A 25 -7.699 -4.595 2.742 1.00 0.00 C ATOM 57 C GLN A 25 -6.503 -5.099 1.943 1.00 0.00 C ATOM 58 O GLN A 25 -6.497 -6.232 1.463 1.00 0.00 O ATOM 59 CB GLN A 25 -7.862 -5.432 4.013 1.00 0.00 C ATOM 60 CG GLN A 25 -9.139 -5.133 4.782 1.00 0.00 C ATOM 61 CD GLN A 25 -9.286 -5.993 6.023 1.00 0.00 C ATOM 62 OE1 GLN A 25 -8.786 -7.116 6.076 1.00 0.00 O ATOM 63 NE2 GLN A 25 -9.983 -5.470 7.026 1.00 0.00 N ATOM 0 H GLN A 25 -8.915 -5.369 1.220 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.521 -3.556 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.848 -6.489 3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.006 -5.257 4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.148 -4.082 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.998 -5.293 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.380 -4.534 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.121 -6.004 7.884 1.00 0.00 H new ATOM 72 N LEU A 26 -5.494 -4.249 1.802 1.00 0.00 N ATOM 73 CA LEU A 26 -4.292 -4.609 1.054 1.00 0.00 C ATOM 74 C LEU A 26 -3.105 -4.789 1.990 1.00 0.00 C ATOM 75 O LEU A 26 -2.952 -4.047 2.961 1.00 0.00 O ATOM 76 CB LEU A 26 -3.972 -3.539 0.004 1.00 0.00 C ATOM 77 CG LEU A 26 -5.183 -2.785 -0.557 1.00 0.00 C ATOM 78 CD1 LEU A 26 -4.803 -2.014 -1.812 1.00 0.00 C ATOM 79 CD2 LEU A 26 -6.332 -3.742 -0.843 1.00 0.00 C ATOM 0 H LEU A 26 -5.482 -3.307 2.194 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.482 -5.555 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.287 -2.815 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.445 -4.013 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.515 -2.071 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.677 -1.486 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.020 -1.294 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.439 -2.708 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.180 -3.184 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.013 -4.486 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.627 -4.242 0.079 1.00 0.00 H new ATOM 91 N ARG A 27 -2.262 -5.775 1.696 1.00 0.00 N ATOM 92 CA ARG A 27 -1.099 -6.041 2.528 1.00 0.00 C ATOM 93 C ARG A 27 0.139 -5.333 1.981 1.00 0.00 C ATOM 94 O ARG A 27 0.322 -5.233 0.771 1.00 0.00 O ATOM 95 CB ARG A 27 -0.841 -7.545 2.610 1.00 0.00 C ATOM 96 CG ARG A 27 -2.093 -8.372 2.859 1.00 0.00 C ATOM 97 CD ARG A 27 -1.754 -9.835 3.094 1.00 0.00 C ATOM 98 NE ARG A 27 -0.919 -10.017 4.280 1.00 0.00 N ATOM 99 CZ ARG A 27 -0.330 -11.166 4.603 1.00 0.00 C ATOM 100 NH1 ARG A 27 -0.477 -12.236 3.832 1.00 0.00 N ATOM 101 NH2 ARG A 27 0.408 -11.245 5.702 1.00 0.00 N ATOM 0 H ARG A 27 -2.363 -6.397 0.894 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.304 -5.656 3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.378 -7.876 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.125 -7.738 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.626 -7.977 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.764 -8.285 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.675 -10.407 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.236 -10.233 2.221 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.780 -9.216 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.044 -12.181 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.023 -13.113 4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.524 -10.426 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.860 -12.125 5.951 1.00 0.00 H new ATOM 115 N LEU A 28 0.985 -4.836 2.881 1.00 0.00 N ATOM 116 CA LEU A 28 2.215 -4.156 2.480 1.00 0.00 C ATOM 117 C LEU A 28 3.431 -4.866 3.053 1.00 0.00 C ATOM 118 O LEU A 28 3.364 -5.462 4.125 1.00 0.00 O ATOM 119 CB LEU A 28 2.234 -2.698 2.960 1.00 0.00 C ATOM 120 CG LEU A 28 1.420 -1.692 2.141 1.00 0.00 C ATOM 121 CD1 LEU A 28 2.347 -0.779 1.366 1.00 0.00 C ATOM 122 CD2 LEU A 28 0.443 -2.393 1.206 1.00 0.00 C ATOM 0 H LEU A 28 0.842 -4.891 3.889 1.00 0.00 H new ATOM 0 HA LEU A 28 2.248 -4.176 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.870 -2.674 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.270 -2.360 2.981 1.00 0.00 H new ATOM 0 HG LEU A 28 0.832 -1.090 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.757 -0.068 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.989 -0.237 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.963 -1.374 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.118 -1.648 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.994 -3.033 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.248 -3.000 1.791 1.00 0.00 H new ATOM 134 N ARG A 29 4.534 -4.803 2.318 1.00 0.00 N ATOM 135 CA ARG A 29 5.795 -5.404 2.757 1.00 0.00 C ATOM 136 C ARG A 29 6.911 -4.379 2.616 1.00 0.00 C ATOM 137 O ARG A 29 7.443 -4.181 1.521 1.00 0.00 O ATOM 138 CB ARG A 29 6.109 -6.651 1.933 1.00 0.00 C ATOM 139 CG ARG A 29 7.424 -7.315 2.309 1.00 0.00 C ATOM 140 CD ARG A 29 7.714 -8.515 1.423 1.00 0.00 C ATOM 141 NE ARG A 29 6.659 -9.522 1.502 1.00 0.00 N ATOM 142 CZ ARG A 29 6.565 -10.564 0.680 1.00 0.00 C ATOM 143 NH1 ARG A 29 7.458 -10.738 -0.286 1.00 0.00 N ATOM 144 NH2 ARG A 29 5.574 -11.434 0.822 1.00 0.00 N ATOM 0 H ARG A 29 4.584 -4.340 1.410 1.00 0.00 H new ATOM 0 HA ARG A 29 5.708 -5.704 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.300 -7.371 2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.137 -6.381 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.236 -6.593 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.388 -7.631 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.823 -8.185 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.664 -8.961 1.717 1.00 0.00 H new ATOM 0 HE ARG A 29 5.952 -9.420 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.221 -10.071 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.381 -11.539 -0.913 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.884 -11.304 1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.502 -12.233 0.192 1.00 0.00 H new ATOM 158 N LEU A 30 7.283 -3.747 3.731 1.00 0.00 N ATOM 159 CA LEU A 30 8.293 -2.698 3.701 1.00 0.00 C ATOM 160 C LEU A 30 9.710 -3.257 3.720 1.00 0.00 C ATOM 161 O LEU A 30 10.019 -4.219 4.423 1.00 0.00 O ATOM 162 CB LEU A 30 8.051 -1.706 4.835 1.00 0.00 C ATOM 163 CG LEU A 30 6.939 -0.670 4.580 1.00 0.00 C ATOM 164 CD1 LEU A 30 7.257 0.178 3.358 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.578 -1.340 4.440 1.00 0.00 C ATOM 0 H LEU A 30 6.901 -3.944 4.656 1.00 0.00 H new ATOM 0 HA LEU A 30 8.198 -2.165 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.804 -2.265 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.981 -1.174 5.035 1.00 0.00 H new ATOM 0 HG LEU A 30 6.895 -0.011 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.457 0.901 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.198 0.706 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.344 -0.465 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.816 -0.582 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.600 -2.037 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.343 -1.881 5.356 1.00 0.00 H new ATOM 177 N SER A 31 10.559 -2.616 2.921 1.00 0.00 N ATOM 178 CA SER A 31 11.956 -3.010 2.757 1.00 0.00 C ATOM 179 C SER A 31 12.689 -3.084 4.087 1.00 0.00 C ATOM 180 O SER A 31 13.670 -3.816 4.221 1.00 0.00 O ATOM 181 CB SER A 31 12.673 -2.032 1.826 1.00 0.00 C ATOM 182 OG SER A 31 14.032 -2.395 1.654 1.00 0.00 O ATOM 0 H SER A 31 10.295 -1.803 2.365 1.00 0.00 H new ATOM 0 HA SER A 31 11.962 -4.008 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.173 -2.014 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.612 -1.024 2.236 1.00 0.00 H new ATOM 0 HG SER A 31 14.468 -1.755 1.053 1.00 0.00 H new ATOM 188 N THR A 32 12.222 -2.325 5.067 1.00 0.00 N ATOM 189 CA THR A 32 12.848 -2.331 6.380 1.00 0.00 C ATOM 190 C THR A 32 12.371 -3.537 7.177 1.00 0.00 C ATOM 191 O THR A 32 12.845 -3.800 8.282 1.00 0.00 O ATOM 192 CB THR A 32 12.530 -1.041 7.161 1.00 0.00 C ATOM 193 OG1 THR A 32 12.896 0.105 6.385 1.00 0.00 O ATOM 194 CG2 THR A 32 13.269 -1.012 8.491 1.00 0.00 C ATOM 0 H THR A 32 11.419 -1.702 4.979 1.00 0.00 H new ATOM 0 HA THR A 32 13.927 -2.387 6.235 1.00 0.00 H new ATOM 0 HB THR A 32 11.458 -1.021 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.689 0.920 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.027 -0.091 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.967 -1.868 9.094 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.343 -1.055 8.311 1.00 0.00 H new ATOM 202 N GLY A 33 11.424 -4.272 6.597 1.00 0.00 N ATOM 203 CA GLY A 33 10.873 -5.432 7.254 1.00 0.00 C ATOM 204 C GLY A 33 9.590 -5.057 7.938 1.00 0.00 C ATOM 205 O GLY A 33 9.314 -5.487 9.058 1.00 0.00 O ATOM 0 H GLY A 33 11.030 -4.077 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.692 -6.224 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.584 -5.824 7.981 1.00 0.00 H new ATOM 209 N LYS A 34 8.799 -4.241 7.249 1.00 0.00 N ATOM 210 CA LYS A 34 7.554 -3.756 7.796 1.00 0.00 C ATOM 211 C LYS A 34 6.375 -4.159 6.918 1.00 0.00 C ATOM 212 O LYS A 34 5.988 -3.452 5.993 1.00 0.00 O ATOM 213 CB LYS A 34 7.674 -2.235 8.012 1.00 0.00 C ATOM 214 CG LYS A 34 6.384 -1.443 7.927 1.00 0.00 C ATOM 215 CD LYS A 34 5.557 -1.586 9.189 1.00 0.00 C ATOM 216 CE LYS A 34 4.848 -2.925 9.225 1.00 0.00 C ATOM 217 NZ LYS A 34 3.991 -3.068 10.436 1.00 0.00 N ATOM 0 H LYS A 34 9.006 -3.905 6.308 1.00 0.00 H new ATOM 0 HA LYS A 34 7.356 -4.216 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.118 -2.062 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.369 -1.838 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.613 -0.391 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.803 -1.784 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.201 -1.488 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.824 -0.781 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.234 -3.035 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.586 -3.727 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.618 -4.038 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.556 -2.871 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.200 -2.395 10.383 1.00 0.00 H new ATOM 231 N ASP A 35 5.811 -5.322 7.229 1.00 0.00 N ATOM 232 CA ASP A 35 4.687 -5.860 6.489 1.00 0.00 C ATOM 233 C ASP A 35 3.409 -5.722 7.302 1.00 0.00 C ATOM 234 O ASP A 35 3.241 -6.367 8.336 1.00 0.00 O ATOM 235 CB ASP A 35 4.932 -7.330 6.141 1.00 0.00 C ATOM 236 CG ASP A 35 3.797 -7.931 5.335 1.00 0.00 C ATOM 237 OD1 ASP A 35 2.834 -8.435 5.951 1.00 0.00 O ATOM 238 OD2 ASP A 35 3.870 -7.898 4.088 1.00 0.00 O ATOM 0 H ASP A 35 6.123 -5.913 8.000 1.00 0.00 H new ATOM 0 HA ASP A 35 4.579 -5.295 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.860 -7.417 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.063 -7.901 7.060 1.00 0.00 H new ATOM 243 N LEU A 36 2.515 -4.876 6.823 1.00 0.00 N ATOM 244 CA LEU A 36 1.249 -4.632 7.498 1.00 0.00 C ATOM 245 C LEU A 36 0.156 -4.331 6.485 1.00 0.00 C ATOM 246 O LEU A 36 0.369 -3.589 5.526 1.00 0.00 O ATOM 247 CB LEU A 36 1.389 -3.467 8.479 1.00 0.00 C ATOM 248 CG LEU A 36 0.281 -3.354 9.532 1.00 0.00 C ATOM 249 CD1 LEU A 36 -1.053 -3.021 8.880 1.00 0.00 C ATOM 250 CD2 LEU A 36 0.175 -4.643 10.333 1.00 0.00 C ATOM 0 H LEU A 36 2.642 -4.342 5.963 1.00 0.00 H new ATOM 0 HA LEU A 36 0.974 -5.530 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.346 -3.560 8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.422 -2.538 7.910 1.00 0.00 H new ATOM 0 HG LEU A 36 0.539 -2.543 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.824 -2.946 9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.973 -2.071 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.319 -3.807 8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.616 -4.546 11.076 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.057 -5.470 9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.122 -4.838 10.835 1.00 0.00 H new ATOM 262 N LYS A 37 -1.012 -4.911 6.705 1.00 0.00 N ATOM 263 CA LYS A 37 -2.142 -4.714 5.814 1.00 0.00 C ATOM 264 C LYS A 37 -3.065 -3.615 6.333 1.00 0.00 C ATOM 265 O LYS A 37 -3.547 -3.672 7.464 1.00 0.00 O ATOM 266 CB LYS A 37 -2.902 -6.031 5.653 1.00 0.00 C ATOM 267 CG LYS A 37 -4.313 -5.877 5.102 1.00 0.00 C ATOM 268 CD LYS A 37 -5.029 -7.215 5.007 1.00 0.00 C ATOM 269 CE LYS A 37 -5.147 -7.884 6.368 1.00 0.00 C ATOM 270 NZ LYS A 37 -5.884 -9.175 6.289 1.00 0.00 N ATOM 0 H LYS A 37 -1.202 -5.525 7.497 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.770 -4.396 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.335 -6.685 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.955 -6.527 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.883 -5.204 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.270 -5.416 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.023 -7.067 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.488 -7.870 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.151 -8.059 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.660 -7.215 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.047 -9.541 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.798 -9.025 5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.323 -9.863 5.747 1.00 0.00 H new ATOM 284 N LEU A 38 -3.301 -2.618 5.491 1.00 0.00 N ATOM 285 CA LEU A 38 -4.162 -1.498 5.841 1.00 0.00 C ATOM 286 C LEU A 38 -5.542 -1.658 5.204 1.00 0.00 C ATOM 287 O LEU A 38 -5.665 -2.101 4.060 1.00 0.00 O ATOM 288 CB LEU A 38 -3.504 -0.185 5.390 1.00 0.00 C ATOM 289 CG LEU A 38 -4.459 0.947 5.001 1.00 0.00 C ATOM 290 CD1 LEU A 38 -5.152 1.514 6.231 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.699 2.034 4.268 1.00 0.00 C ATOM 0 H LEU A 38 -2.904 -2.563 4.553 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.295 -1.476 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.860 0.170 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.860 -0.399 4.537 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.226 0.545 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.826 2.317 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.722 0.726 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.405 1.906 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.385 2.836 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.917 2.430 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.248 1.618 3.367 1.00 0.00 H new ATOM 303 N VAL A 39 -6.578 -1.299 5.959 1.00 0.00 N ATOM 304 CA VAL A 39 -7.948 -1.392 5.475 1.00 0.00 C ATOM 305 C VAL A 39 -8.247 -0.295 4.455 1.00 0.00 C ATOM 306 O VAL A 39 -8.151 0.894 4.757 1.00 0.00 O ATOM 307 CB VAL A 39 -8.962 -1.301 6.633 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.751 -2.442 7.615 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.855 0.043 7.340 1.00 0.00 C ATOM 0 H VAL A 39 -6.491 -0.941 6.910 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.049 -2.365 4.994 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.966 -1.386 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.475 -2.363 8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.885 -3.394 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.742 -2.389 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.580 0.085 8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.849 0.163 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.059 0.845 6.630 1.00 0.00 H new ATOM 319 N VAL A 40 -8.603 -0.708 3.245 1.00 0.00 N ATOM 320 CA VAL A 40 -8.918 0.224 2.169 1.00 0.00 C ATOM 321 C VAL A 40 -10.356 0.030 1.692 1.00 0.00 C ATOM 322 O VAL A 40 -11.010 -0.953 2.046 1.00 0.00 O ATOM 323 CB VAL A 40 -7.949 0.042 0.987 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.573 0.578 1.345 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.864 -1.421 0.592 1.00 0.00 C ATOM 0 H VAL A 40 -8.681 -1.691 2.983 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.808 1.235 2.560 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.329 0.607 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.898 0.442 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.647 1.639 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.185 0.038 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.175 -1.532 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.504 -2.006 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.852 -1.777 0.299 1.00 0.00 H new ATOM 335 N ARG A 41 -10.833 0.950 0.857 1.00 0.00 N ATOM 336 CA ARG A 41 -12.198 0.884 0.356 1.00 0.00 C ATOM 337 C ARG A 41 -12.374 1.696 -0.928 1.00 0.00 C ATOM 338 O ARG A 41 -12.575 2.904 -0.875 1.00 0.00 O ATOM 339 CB ARG A 41 -13.169 1.390 1.425 1.00 0.00 C ATOM 340 CG ARG A 41 -14.618 1.435 0.966 1.00 0.00 C ATOM 341 CD ARG A 41 -15.491 2.185 1.958 1.00 0.00 C ATOM 342 NE ARG A 41 -16.886 2.239 1.527 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.781 3.096 2.015 1.00 0.00 C ATOM 344 NH1 ARG A 41 -17.431 3.974 2.947 1.00 0.00 N ATOM 345 NH2 ARG A 41 -19.029 3.078 1.568 1.00 0.00 N ATOM 0 H ARG A 41 -10.295 1.746 0.516 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.414 -0.158 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.095 0.748 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.865 2.390 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.677 1.917 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.994 0.419 0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.431 1.700 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.110 3.199 2.082 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.193 1.581 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.472 3.995 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.121 4.628 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.304 2.408 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.714 3.735 1.942 1.00 0.00 H new ATOM 359 N SER A 42 -12.288 1.006 -2.068 1.00 0.00 N ATOM 360 CA SER A 42 -12.457 1.586 -3.410 1.00 0.00 C ATOM 361 C SER A 42 -11.763 2.938 -3.612 1.00 0.00 C ATOM 362 O SER A 42 -11.069 3.133 -4.610 1.00 0.00 O ATOM 363 CB SER A 42 -13.946 1.728 -3.725 1.00 0.00 C ATOM 364 OG SER A 42 -14.144 2.316 -4.999 1.00 0.00 O ATOM 0 H SER A 42 -12.094 0.005 -2.088 1.00 0.00 H new ATOM 0 HA SER A 42 -11.971 0.892 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.422 0.748 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.426 2.339 -2.960 1.00 0.00 H new ATOM 0 HG SER A 42 -13.642 1.812 -5.673 1.00 0.00 H new ATOM 370 N THR A 43 -11.941 3.864 -2.684 1.00 0.00 N ATOM 371 CA THR A 43 -11.310 5.168 -2.783 1.00 0.00 C ATOM 372 C THR A 43 -10.034 5.215 -1.954 1.00 0.00 C ATOM 373 O THR A 43 -9.305 6.205 -1.978 1.00 0.00 O ATOM 374 CB THR A 43 -12.256 6.289 -2.315 1.00 0.00 C ATOM 375 OG1 THR A 43 -12.634 6.074 -0.950 1.00 0.00 O ATOM 376 CG2 THR A 43 -13.502 6.346 -3.187 1.00 0.00 C ATOM 0 H THR A 43 -12.518 3.736 -1.853 1.00 0.00 H new ATOM 0 HA THR A 43 -11.068 5.327 -3.834 1.00 0.00 H new ATOM 0 HB THR A 43 -11.727 7.238 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.234 6.792 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.155 7.146 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.214 6.539 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.030 5.394 -3.129 1.00 0.00 H new ATOM 384 N ASP A 44 -9.766 4.138 -1.217 1.00 0.00 N ATOM 385 CA ASP A 44 -8.572 4.073 -0.384 1.00 0.00 C ATOM 386 C ASP A 44 -7.440 3.324 -1.095 1.00 0.00 C ATOM 387 O ASP A 44 -6.593 2.702 -0.454 1.00 0.00 O ATOM 388 CB ASP A 44 -8.887 3.409 0.957 1.00 0.00 C ATOM 389 CG ASP A 44 -8.324 4.185 2.131 1.00 0.00 C ATOM 390 OD1 ASP A 44 -9.035 5.068 2.655 1.00 0.00 O ATOM 391 OD2 ASP A 44 -7.172 3.908 2.528 1.00 0.00 O ATOM 0 H ASP A 44 -10.356 3.306 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.239 5.094 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.967 3.318 1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.479 2.398 0.964 1.00 0.00 H new ATOM 396 N THR A 45 -7.439 3.393 -2.425 1.00 0.00 N ATOM 397 CA THR A 45 -6.420 2.738 -3.250 1.00 0.00 C ATOM 398 C THR A 45 -5.012 3.025 -2.743 1.00 0.00 C ATOM 399 O THR A 45 -4.832 3.872 -1.880 1.00 0.00 O ATOM 400 CB THR A 45 -6.520 3.223 -4.700 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.522 4.659 -4.728 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.779 2.684 -5.359 1.00 0.00 C ATOM 0 H THR A 45 -8.141 3.902 -2.962 1.00 0.00 H new ATOM 0 HA THR A 45 -6.604 1.665 -3.193 1.00 0.00 H new ATOM 0 HB THR A 45 -5.659 2.853 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.625 4.992 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.832 3.040 -6.388 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.755 1.594 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.654 3.031 -4.810 1.00 0.00 H new ATOM 410 N VAL A 46 -4.023 2.327 -3.303 1.00 0.00 N ATOM 411 CA VAL A 46 -2.614 2.494 -2.921 1.00 0.00 C ATOM 412 C VAL A 46 -2.279 3.947 -2.544 1.00 0.00 C ATOM 413 O VAL A 46 -1.376 4.191 -1.747 1.00 0.00 O ATOM 414 CB VAL A 46 -1.668 1.992 -4.042 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.320 2.699 -3.997 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.474 0.480 -3.930 1.00 0.00 C ATOM 0 H VAL A 46 -4.172 1.630 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.456 1.883 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.134 2.225 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.316 2.321 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.467 3.771 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.157 2.511 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.808 0.139 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.037 0.240 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.438 -0.019 -4.027 1.00 0.00 H new ATOM 426 N PHE A 47 -3.008 4.901 -3.120 1.00 0.00 N ATOM 427 CA PHE A 47 -2.803 6.318 -2.821 1.00 0.00 C ATOM 428 C PHE A 47 -3.143 6.583 -1.365 1.00 0.00 C ATOM 429 O PHE A 47 -2.322 7.097 -0.607 1.00 0.00 O ATOM 430 CB PHE A 47 -3.671 7.179 -3.740 1.00 0.00 C ATOM 431 CG PHE A 47 -3.570 8.653 -3.465 1.00 0.00 C ATOM 432 CD1 PHE A 47 -4.181 9.208 -2.353 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.863 9.482 -4.322 1.00 0.00 C ATOM 434 CE1 PHE A 47 -4.090 10.564 -2.099 1.00 0.00 C ATOM 435 CE2 PHE A 47 -2.769 10.838 -4.073 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.383 11.380 -2.960 1.00 0.00 C ATOM 0 H PHE A 47 -3.748 4.718 -3.798 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.758 6.577 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.385 6.992 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.711 6.870 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.735 8.574 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.381 9.064 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.571 10.985 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.216 11.474 -4.748 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.310 12.440 -2.764 1.00 0.00 H new ATOM 446 N HIS A 48 -4.365 6.256 -0.979 1.00 0.00 N ATOM 447 CA HIS A 48 -4.768 6.411 0.404 1.00 0.00 C ATOM 448 C HIS A 48 -4.099 5.311 1.202 1.00 0.00 C ATOM 449 O HIS A 48 -3.649 5.514 2.327 1.00 0.00 O ATOM 450 CB HIS A 48 -6.274 6.314 0.547 1.00 0.00 C ATOM 451 CG HIS A 48 -7.021 7.344 -0.241 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.895 8.243 0.332 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.023 7.613 -1.568 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.402 9.021 -0.607 1.00 0.00 C ATOM 455 NE2 HIS A 48 -7.889 8.660 -1.769 1.00 0.00 N ATOM 0 H HIS A 48 -5.086 5.886 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.468 7.393 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.597 5.322 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.537 6.414 1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.451 7.100 -2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.115 9.817 -0.451 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.101 9.089 -2.670 1.00 0.00 H new ATOM 464 N MET A 49 -4.054 4.127 0.596 1.00 0.00 N ATOM 465 CA MET A 49 -3.398 2.985 1.192 1.00 0.00 C ATOM 466 C MET A 49 -2.046 3.424 1.730 1.00 0.00 C ATOM 467 O MET A 49 -1.677 3.129 2.866 1.00 0.00 O ATOM 468 CB MET A 49 -3.200 1.891 0.153 1.00 0.00 C ATOM 469 CG MET A 49 -2.907 0.525 0.747 1.00 0.00 C ATOM 470 SD MET A 49 -2.156 -0.594 -0.449 1.00 0.00 S ATOM 471 CE MET A 49 -0.613 0.255 -0.781 1.00 0.00 C ATOM 0 H MET A 49 -4.471 3.941 -0.316 1.00 0.00 H new ATOM 0 HA MET A 49 -4.015 2.593 2.000 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.096 1.823 -0.464 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.379 2.174 -0.506 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.241 0.639 1.603 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.833 0.087 1.119 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.093 -0.439 -1.238 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.795 1.088 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.198 0.633 0.153 1.00 0.00 H new ATOM 481 N LYS A 50 -1.318 4.150 0.884 1.00 0.00 N ATOM 482 CA LYS A 50 -0.017 4.676 1.254 1.00 0.00 C ATOM 483 C LYS A 50 -0.213 5.842 2.213 1.00 0.00 C ATOM 484 O LYS A 50 0.607 6.085 3.095 1.00 0.00 O ATOM 485 CB LYS A 50 0.778 5.115 0.015 1.00 0.00 C ATOM 486 CG LYS A 50 0.251 6.371 -0.658 1.00 0.00 C ATOM 487 CD LYS A 50 1.302 7.006 -1.554 1.00 0.00 C ATOM 488 CE LYS A 50 0.721 8.152 -2.368 1.00 0.00 C ATOM 489 NZ LYS A 50 1.743 8.783 -3.246 1.00 0.00 N ATOM 0 H LYS A 50 -1.613 4.385 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 50 0.560 3.892 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.816 5.281 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.776 4.301 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.632 6.126 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.062 7.088 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.128 7.373 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.712 6.252 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.103 7.783 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.308 8.903 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.376 9.684 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.610 8.959 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.959 8.147 -4.040 1.00 0.00 H new ATOM 503 N ARG A 51 -1.321 6.565 2.039 1.00 0.00 N ATOM 504 CA ARG A 51 -1.632 7.681 2.918 1.00 0.00 C ATOM 505 C ARG A 51 -1.584 7.199 4.367 1.00 0.00 C ATOM 506 O ARG A 51 -0.797 7.688 5.188 1.00 0.00 O ATOM 507 CB ARG A 51 -3.014 8.260 2.607 1.00 0.00 C ATOM 508 CG ARG A 51 -3.355 9.486 3.439 1.00 0.00 C ATOM 509 CD ARG A 51 -4.822 9.860 3.307 1.00 0.00 C ATOM 510 NE ARG A 51 -5.175 10.995 4.158 1.00 0.00 N ATOM 511 CZ ARG A 51 -6.414 11.262 4.566 1.00 0.00 C ATOM 512 NH1 ARG A 51 -7.425 10.481 4.201 1.00 0.00 N ATOM 513 NH2 ARG A 51 -6.644 12.313 5.342 1.00 0.00 N ATOM 0 H ARG A 51 -2.008 6.396 1.304 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.896 8.469 2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.061 8.523 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.769 7.492 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.121 9.293 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.735 10.325 3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.042 10.104 2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.440 9.002 3.571 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.427 11.620 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.254 9.671 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.372 10.691 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.872 12.916 5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.593 12.518 5.655 1.00 0.00 H new ATOM 527 N ARG A 52 -2.426 6.213 4.661 1.00 0.00 N ATOM 528 CA ARG A 52 -2.485 5.625 5.987 1.00 0.00 C ATOM 529 C ARG A 52 -1.272 4.728 6.223 1.00 0.00 C ATOM 530 O ARG A 52 -0.990 4.345 7.356 1.00 0.00 O ATOM 531 CB ARG A 52 -3.779 4.829 6.166 1.00 0.00 C ATOM 532 CG ARG A 52 -5.022 5.698 6.261 1.00 0.00 C ATOM 533 CD ARG A 52 -6.277 4.856 6.416 1.00 0.00 C ATOM 534 NE ARG A 52 -7.480 5.678 6.521 1.00 0.00 N ATOM 535 CZ ARG A 52 -8.715 5.184 6.553 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.915 3.873 6.486 1.00 0.00 N ATOM 537 NH2 ARG A 52 -9.754 6.000 6.652 1.00 0.00 N ATOM 0 H ARG A 52 -3.079 5.805 3.992 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.473 6.430 6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.891 4.141 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.700 4.223 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.930 6.376 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.105 6.316 5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.370 4.185 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.187 4.231 7.305 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.367 6.690 6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.120 3.239 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.864 3.500 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.608 7.008 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.700 5.620 6.676 1.00 0.00 H new ATOM 551 N LEU A 53 -0.566 4.372 5.144 1.00 0.00 N ATOM 552 CA LEU A 53 0.637 3.553 5.261 1.00 0.00 C ATOM 553 C LEU A 53 1.656 4.285 6.127 1.00 0.00 C ATOM 554 O LEU A 53 2.242 3.708 7.043 1.00 0.00 O ATOM 555 CB LEU A 53 1.205 3.254 3.873 1.00 0.00 C ATOM 556 CG LEU A 53 2.375 2.273 3.824 1.00 0.00 C ATOM 557 CD1 LEU A 53 1.970 0.925 4.396 1.00 0.00 C ATOM 558 CD2 LEU A 53 2.873 2.124 2.394 1.00 0.00 C ATOM 0 H LEU A 53 -0.807 4.637 4.189 1.00 0.00 H new ATOM 0 HA LEU A 53 0.394 2.601 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.401 2.861 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.526 4.194 3.424 1.00 0.00 H new ATOM 0 HG LEU A 53 3.186 2.668 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.818 0.241 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.658 1.049 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.144 0.516 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.707 1.423 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.066 1.749 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.204 3.093 2.021 1.00 0.00 H new ATOM 570 N HIS A 54 1.863 5.567 5.825 1.00 0.00 N ATOM 571 CA HIS A 54 2.769 6.402 6.601 1.00 0.00 C ATOM 572 C HIS A 54 2.151 6.705 7.961 1.00 0.00 C ATOM 573 O HIS A 54 2.813 6.603 8.994 1.00 0.00 O ATOM 574 CB HIS A 54 3.049 7.714 5.860 1.00 0.00 C ATOM 575 CG HIS A 54 3.822 8.713 6.668 1.00 0.00 C ATOM 576 ND1 HIS A 54 5.195 8.684 6.791 1.00 0.00 N ATOM 577 CD2 HIS A 54 3.404 9.775 7.397 1.00 0.00 C ATOM 578 CE1 HIS A 54 5.587 9.684 7.560 1.00 0.00 C ATOM 579 NE2 HIS A 54 4.521 10.361 7.939 1.00 0.00 N ATOM 0 H HIS A 54 1.413 6.047 5.046 1.00 0.00 H new ATOM 0 HA HIS A 54 3.708 5.867 6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.602 7.494 4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.101 8.160 5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.382 10.100 7.528 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.608 9.909 7.832 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.525 11.187 8.538 1.00 0.00 H new ATOM 588 N ALA A 55 0.873 7.080 7.948 1.00 0.00 N ATOM 589 CA ALA A 55 0.160 7.405 9.179 1.00 0.00 C ATOM 590 C ALA A 55 0.176 6.243 10.171 1.00 0.00 C ATOM 591 O ALA A 55 0.297 6.451 11.379 1.00 0.00 O ATOM 592 CB ALA A 55 -1.273 7.806 8.865 1.00 0.00 C ATOM 0 H ALA A 55 0.312 7.166 7.100 1.00 0.00 H new ATOM 0 HA ALA A 55 0.676 8.244 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.795 8.046 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.272 8.679 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.781 6.981 8.366 1.00 0.00 H new ATOM 598 N ALA A 56 0.052 5.020 9.661 1.00 0.00 N ATOM 599 CA ALA A 56 0.042 3.837 10.512 1.00 0.00 C ATOM 600 C ALA A 56 1.446 3.278 10.726 1.00 0.00 C ATOM 601 O ALA A 56 1.835 2.976 11.854 1.00 0.00 O ATOM 602 CB ALA A 56 -0.863 2.770 9.914 1.00 0.00 C ATOM 0 H ALA A 56 -0.043 4.824 8.664 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.345 4.135 11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.863 1.890 10.558 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.878 3.159 9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.497 2.495 8.925 1.00 0.00 H new ATOM 608 N GLU A 57 2.201 3.145 9.642 1.00 0.00 N ATOM 609 CA GLU A 57 3.557 2.610 9.721 1.00 0.00 C ATOM 610 C GLU A 57 4.578 3.720 9.944 1.00 0.00 C ATOM 611 O GLU A 57 5.286 3.733 10.951 1.00 0.00 O ATOM 612 CB GLU A 57 3.899 1.838 8.444 1.00 0.00 C ATOM 613 CG GLU A 57 2.776 0.939 7.954 1.00 0.00 C ATOM 614 CD GLU A 57 2.233 0.032 9.041 1.00 0.00 C ATOM 615 OE1 GLU A 57 1.378 0.493 9.827 1.00 0.00 O ATOM 616 OE2 GLU A 57 2.662 -1.138 9.109 1.00 0.00 O ATOM 0 H GLU A 57 1.900 3.399 8.701 1.00 0.00 H new ATOM 0 HA GLU A 57 3.598 1.932 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.153 2.549 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.786 1.231 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.967 1.556 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.139 0.330 7.126 1.00 0.00 H new ATOM 623 N GLY A 58 4.648 4.651 8.999 1.00 0.00 N ATOM 624 CA GLY A 58 5.590 5.751 9.113 1.00 0.00 C ATOM 625 C GLY A 58 6.293 6.062 7.803 1.00 0.00 C ATOM 626 O GLY A 58 7.016 7.053 7.704 1.00 0.00 O ATOM 0 H GLY A 58 4.071 4.665 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.063 6.641 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.335 5.509 9.871 1.00 0.00 H new ATOM 630 N VAL A 59 6.082 5.221 6.794 1.00 0.00 N ATOM 631 CA VAL A 59 6.701 5.417 5.492 1.00 0.00 C ATOM 632 C VAL A 59 5.816 6.278 4.593 1.00 0.00 C ATOM 633 O VAL A 59 4.709 5.884 4.244 1.00 0.00 O ATOM 634 CB VAL A 59 6.969 4.068 4.802 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.713 4.268 3.494 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.751 3.150 5.728 1.00 0.00 C ATOM 0 H VAL A 59 5.485 4.396 6.856 1.00 0.00 H new ATOM 0 HA VAL A 59 7.650 5.928 5.654 1.00 0.00 H new ATOM 0 HB VAL A 59 6.010 3.601 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.891 3.300 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.116 4.890 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.667 4.757 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.934 2.199 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.703 3.615 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.177 2.977 6.638 1.00 0.00 H new ATOM 646 N GLU A 60 6.324 7.453 4.231 1.00 0.00 N ATOM 647 CA GLU A 60 5.601 8.399 3.378 1.00 0.00 C ATOM 648 C GLU A 60 5.995 8.243 1.907 1.00 0.00 C ATOM 649 O GLU A 60 6.959 7.547 1.593 1.00 0.00 O ATOM 650 CB GLU A 60 5.871 9.834 3.849 1.00 0.00 C ATOM 651 CG GLU A 60 7.326 10.106 4.203 1.00 0.00 C ATOM 652 CD GLU A 60 8.276 9.764 3.073 1.00 0.00 C ATOM 653 OE1 GLU A 60 8.454 10.611 2.171 1.00 0.00 O ATOM 654 OE2 GLU A 60 8.841 8.652 3.089 1.00 0.00 O ATOM 0 H GLU A 60 7.247 7.778 4.519 1.00 0.00 H new ATOM 0 HA GLU A 60 4.536 8.184 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.563 10.527 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.251 10.042 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.442 11.158 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.595 9.527 5.086 1.00 0.00 H new ATOM 661 N PRO A 61 5.246 8.891 0.986 1.00 0.00 N ATOM 662 CA PRO A 61 5.504 8.831 -0.457 1.00 0.00 C ATOM 663 C PRO A 61 6.981 8.684 -0.815 1.00 0.00 C ATOM 664 O PRO A 61 7.354 7.793 -1.578 1.00 0.00 O ATOM 665 CB PRO A 61 4.961 10.174 -0.930 1.00 0.00 C ATOM 666 CG PRO A 61 3.787 10.431 -0.044 1.00 0.00 C ATOM 667 CD PRO A 61 4.071 9.742 1.274 1.00 0.00 C ATOM 0 HA PRO A 61 5.044 7.958 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.710 10.961 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.667 10.137 -1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.641 11.501 0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.872 10.044 -0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.284 10.463 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.219 9.148 1.606 1.00 0.00 H new ATOM 675 N GLY A 62 7.819 9.556 -0.264 1.00 0.00 N ATOM 676 CA GLY A 62 9.242 9.488 -0.547 1.00 0.00 C ATOM 677 C GLY A 62 9.818 8.112 -0.271 1.00 0.00 C ATOM 678 O GLY A 62 10.631 7.602 -1.043 1.00 0.00 O ATOM 0 H GLY A 62 7.541 10.305 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.416 9.750 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.766 10.227 0.058 1.00 0.00 H new ATOM 682 N SER A 63 9.393 7.515 0.835 1.00 0.00 N ATOM 683 CA SER A 63 9.856 6.190 1.225 1.00 0.00 C ATOM 684 C SER A 63 8.834 5.110 0.865 1.00 0.00 C ATOM 685 O SER A 63 9.050 3.930 1.139 1.00 0.00 O ATOM 686 CB SER A 63 10.129 6.156 2.727 1.00 0.00 C ATOM 687 OG SER A 63 11.067 7.149 3.099 1.00 0.00 O ATOM 0 H SER A 63 8.723 7.931 1.482 1.00 0.00 H new ATOM 0 HA SER A 63 10.776 5.983 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.198 6.309 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.505 5.173 3.009 1.00 0.00 H new ATOM 0 HG SER A 63 11.072 7.863 2.427 1.00 0.00 H new ATOM 693 N GLN A 64 7.723 5.513 0.253 1.00 0.00 N ATOM 694 CA GLN A 64 6.681 4.566 -0.129 1.00 0.00 C ATOM 695 C GLN A 64 6.801 4.174 -1.598 1.00 0.00 C ATOM 696 O GLN A 64 5.962 4.546 -2.419 1.00 0.00 O ATOM 697 CB GLN A 64 5.294 5.164 0.128 1.00 0.00 C ATOM 698 CG GLN A 64 4.919 5.246 1.601 1.00 0.00 C ATOM 699 CD GLN A 64 3.590 5.941 1.840 1.00 0.00 C ATOM 700 OE1 GLN A 64 2.877 5.610 2.781 1.00 0.00 O ATOM 701 NE2 GLN A 64 3.252 6.911 1.001 1.00 0.00 N ATOM 0 H GLN A 64 7.522 6.484 0.012 1.00 0.00 H new ATOM 0 HA GLN A 64 6.809 3.672 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.255 6.165 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.548 4.564 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.875 4.239 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.703 5.778 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.872 7.157 0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.372 7.411 1.127 1.00 0.00 H new ATOM 710 N ARG A 65 7.844 3.421 -1.928 1.00 0.00 N ATOM 711 CA ARG A 65 8.040 2.969 -3.298 1.00 0.00 C ATOM 712 C ARG A 65 7.165 1.751 -3.565 1.00 0.00 C ATOM 713 O ARG A 65 7.552 0.623 -3.261 1.00 0.00 O ATOM 714 CB ARG A 65 9.507 2.621 -3.544 1.00 0.00 C ATOM 715 CG ARG A 65 10.475 3.737 -3.176 1.00 0.00 C ATOM 716 CD ARG A 65 10.411 4.887 -4.169 1.00 0.00 C ATOM 717 NE ARG A 65 9.130 5.586 -4.122 1.00 0.00 N ATOM 718 CZ ARG A 65 8.682 6.378 -5.094 1.00 0.00 C ATOM 719 NH1 ARG A 65 9.407 6.572 -6.189 1.00 0.00 N ATOM 720 NH2 ARG A 65 7.507 6.979 -4.971 1.00 0.00 N ATOM 0 H ARG A 65 8.561 3.113 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 65 7.758 3.774 -3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.760 1.730 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.639 2.371 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.243 4.106 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.490 3.342 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.215 5.592 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.578 4.505 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 65 8.544 5.460 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.312 6.113 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.059 7.180 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.946 6.835 -4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.164 7.586 -5.716 1.00 0.00 H new ATOM 734 N TRP A 66 5.988 1.991 -4.136 1.00 0.00 N ATOM 735 CA TRP A 66 5.038 0.919 -4.424 1.00 0.00 C ATOM 736 C TRP A 66 5.532 0.004 -5.545 1.00 0.00 C ATOM 737 O TRP A 66 5.941 0.464 -6.611 1.00 0.00 O ATOM 738 CB TRP A 66 3.669 1.506 -4.785 1.00 0.00 C ATOM 739 CG TRP A 66 3.731 2.695 -5.705 1.00 0.00 C ATOM 740 CD1 TRP A 66 4.455 2.814 -6.858 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.030 3.935 -5.546 1.00 0.00 C ATOM 742 NE1 TRP A 66 4.249 4.048 -7.422 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.378 4.755 -6.637 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.142 4.433 -4.588 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.870 6.042 -6.795 1.00 0.00 C ATOM 746 CZ3 TRP A 66 1.637 5.710 -4.747 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.002 6.502 -5.843 1.00 0.00 C ATOM 0 H TRP A 66 5.668 2.920 -4.409 1.00 0.00 H new ATOM 0 HA TRP A 66 4.944 0.313 -3.523 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.065 0.729 -5.254 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.158 1.797 -3.867 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.097 2.047 -7.266 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.675 4.384 -8.286 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.856 3.831 -3.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.151 6.655 -7.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.949 6.104 -4.013 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.590 7.496 -5.938 1.00 0.00 H new ATOM 758 N PHE A 67 5.468 -1.301 -5.302 1.00 0.00 N ATOM 759 CA PHE A 67 5.921 -2.281 -6.282 1.00 0.00 C ATOM 760 C PHE A 67 5.127 -3.582 -6.185 1.00 0.00 C ATOM 761 O PHE A 67 5.260 -4.334 -5.223 1.00 0.00 O ATOM 762 CB PHE A 67 7.412 -2.570 -6.097 1.00 0.00 C ATOM 763 CG PHE A 67 8.309 -1.568 -6.767 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.638 -1.703 -8.107 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.825 -0.494 -6.059 1.00 0.00 C ATOM 766 CE1 PHE A 67 9.464 -0.787 -8.727 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.652 0.427 -6.676 1.00 0.00 C ATOM 768 CZ PHE A 67 9.971 0.280 -8.011 1.00 0.00 C ATOM 0 H PHE A 67 5.108 -1.704 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 67 5.755 -1.855 -7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.639 -2.592 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.632 -3.562 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.244 -2.534 -8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.579 -0.375 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.714 -0.905 -9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.048 1.260 -6.114 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.616 0.998 -8.495 1.00 0.00 H new ATOM 778 N PHE A 68 4.300 -3.835 -7.192 1.00 0.00 N ATOM 779 CA PHE A 68 3.495 -5.051 -7.240 1.00 0.00 C ATOM 780 C PHE A 68 4.001 -5.984 -8.335 1.00 0.00 C ATOM 781 O PHE A 68 4.120 -5.586 -9.494 1.00 0.00 O ATOM 782 CB PHE A 68 2.031 -4.709 -7.503 1.00 0.00 C ATOM 783 CG PHE A 68 1.119 -5.902 -7.466 1.00 0.00 C ATOM 784 CD1 PHE A 68 0.905 -6.658 -8.607 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.478 -6.265 -6.294 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.066 -7.757 -8.579 1.00 0.00 C ATOM 787 CE2 PHE A 68 -0.361 -7.363 -6.260 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.567 -8.110 -7.403 1.00 0.00 C ATOM 0 H PHE A 68 4.168 -3.212 -7.989 1.00 0.00 H new ATOM 0 HA PHE A 68 3.580 -5.552 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.697 -3.984 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.948 -4.229 -8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.399 -6.386 -9.528 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.635 -5.684 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.094 -8.338 -9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.855 -7.637 -5.340 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.222 -8.969 -7.378 1.00 0.00 H new ATOM 798 N SER A 69 4.302 -7.222 -7.961 1.00 0.00 N ATOM 799 CA SER A 69 4.797 -8.209 -8.916 1.00 0.00 C ATOM 800 C SER A 69 6.129 -7.774 -9.528 1.00 0.00 C ATOM 801 O SER A 69 6.596 -8.369 -10.500 1.00 0.00 O ATOM 802 CB SER A 69 3.766 -8.439 -10.023 1.00 0.00 C ATOM 803 OG SER A 69 4.231 -9.392 -10.963 1.00 0.00 O ATOM 0 H SER A 69 4.213 -7.567 -7.005 1.00 0.00 H new ATOM 0 HA SER A 69 4.960 -9.141 -8.376 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.829 -8.783 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.555 -7.497 -10.529 1.00 0.00 H new ATOM 0 HG SER A 69 5.208 -9.446 -10.918 1.00 0.00 H new ATOM 809 N GLY A 70 6.739 -6.736 -8.959 1.00 0.00 N ATOM 810 CA GLY A 70 8.009 -6.252 -9.467 1.00 0.00 C ATOM 811 C GLY A 70 7.854 -5.083 -10.420 1.00 0.00 C ATOM 812 O GLY A 70 8.718 -4.842 -11.264 1.00 0.00 O ATOM 0 H GLY A 70 6.375 -6.223 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.639 -5.951 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.524 -7.065 -9.978 1.00 0.00 H new ATOM 816 N ARG A 71 6.751 -4.359 -10.285 1.00 0.00 N ATOM 817 CA ARG A 71 6.482 -3.202 -11.133 1.00 0.00 C ATOM 818 C ARG A 71 5.961 -2.045 -10.289 1.00 0.00 C ATOM 819 O ARG A 71 5.406 -2.262 -9.215 1.00 0.00 O ATOM 820 CB ARG A 71 5.463 -3.564 -12.215 1.00 0.00 C ATOM 821 CG ARG A 71 5.935 -4.664 -13.152 1.00 0.00 C ATOM 822 CD ARG A 71 4.868 -5.023 -14.171 1.00 0.00 C ATOM 823 NE ARG A 71 5.323 -6.054 -15.101 1.00 0.00 N ATOM 824 CZ ARG A 71 4.694 -6.361 -16.234 1.00 0.00 C ATOM 825 NH1 ARG A 71 3.585 -5.720 -16.581 1.00 0.00 N ATOM 826 NH2 ARG A 71 5.176 -7.313 -17.022 1.00 0.00 N ATOM 0 H ARG A 71 6.025 -4.552 -9.595 1.00 0.00 H new ATOM 0 HA ARG A 71 7.411 -2.897 -11.615 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.535 -3.878 -11.738 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.235 -2.673 -12.800 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.839 -4.340 -13.669 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.199 -5.549 -12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.975 -5.371 -13.653 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.585 -4.131 -14.729 1.00 0.00 H new ATOM 0 HE ARG A 71 6.172 -6.569 -14.869 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.210 -4.987 -15.979 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.108 -5.960 -17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.028 -7.809 -16.760 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.695 -7.549 -17.890 1.00 0.00 H new ATOM 840 N PRO A 72 6.114 -0.799 -10.768 1.00 0.00 N ATOM 841 CA PRO A 72 5.653 0.382 -10.031 1.00 0.00 C ATOM 842 C PRO A 72 4.134 0.448 -9.972 1.00 0.00 C ATOM 843 O PRO A 72 3.472 0.677 -10.983 1.00 0.00 O ATOM 844 CB PRO A 72 6.214 1.552 -10.844 1.00 0.00 C ATOM 845 CG PRO A 72 6.391 1.009 -12.220 1.00 0.00 C ATOM 846 CD PRO A 72 6.744 -0.443 -12.052 1.00 0.00 C ATOM 0 HA PRO A 72 5.984 0.380 -8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.531 2.401 -10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.160 1.902 -10.432 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.478 1.123 -12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.179 1.543 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.357 -1.048 -12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.823 -0.594 -12.026 1.00 0.00 H new ATOM 854 N LEU A 73 3.588 0.247 -8.775 1.00 0.00 N ATOM 855 CA LEU A 73 2.139 0.255 -8.588 1.00 0.00 C ATOM 856 C LEU A 73 1.566 1.670 -8.666 1.00 0.00 C ATOM 857 O LEU A 73 2.262 2.650 -8.403 1.00 0.00 O ATOM 858 CB LEU A 73 1.783 -0.382 -7.245 1.00 0.00 C ATOM 859 CG LEU A 73 0.392 -1.012 -7.169 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.163 -1.965 -8.333 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.191 -1.721 -5.841 1.00 0.00 C ATOM 0 H LEU A 73 4.124 0.077 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 73 1.695 -0.327 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.524 -1.148 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.862 0.379 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.345 -0.212 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.833 -2.400 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.249 -1.419 -9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.909 -2.759 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.806 -2.161 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.938 -2.507 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.296 -1.004 -5.026 1.00 0.00 H new ATOM 872 N THR A 74 0.291 1.762 -9.035 1.00 0.00 N ATOM 873 CA THR A 74 -0.390 3.049 -9.148 1.00 0.00 C ATOM 874 C THR A 74 -1.009 3.449 -7.812 1.00 0.00 C ATOM 875 O THR A 74 -1.114 2.632 -6.898 1.00 0.00 O ATOM 876 CB THR A 74 -1.493 3.008 -10.223 1.00 0.00 C ATOM 877 OG1 THR A 74 -1.057 2.227 -11.342 1.00 0.00 O ATOM 878 CG2 THR A 74 -1.847 4.411 -10.694 1.00 0.00 C ATOM 0 H THR A 74 -0.293 0.957 -9.262 1.00 0.00 H new ATOM 0 HA THR A 74 0.358 3.786 -9.439 1.00 0.00 H new ATOM 0 HB THR A 74 -2.380 2.554 -9.781 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.439 1.326 -11.281 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.628 4.354 -11.452 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.204 4.999 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.963 4.886 -11.119 1.00 0.00 H new ATOM 886 N ASP A 75 -1.416 4.709 -7.705 1.00 0.00 N ATOM 887 CA ASP A 75 -2.018 5.220 -6.489 1.00 0.00 C ATOM 888 C ASP A 75 -3.521 4.906 -6.446 1.00 0.00 C ATOM 889 O ASP A 75 -4.178 5.102 -5.423 1.00 0.00 O ATOM 890 CB ASP A 75 -1.761 6.729 -6.401 1.00 0.00 C ATOM 891 CG ASP A 75 -2.709 7.543 -7.265 1.00 0.00 C ATOM 892 OD1 ASP A 75 -3.787 7.924 -6.764 1.00 0.00 O ATOM 893 OD2 ASP A 75 -2.372 7.796 -8.440 1.00 0.00 O ATOM 0 H ASP A 75 -1.337 5.396 -8.455 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.565 4.731 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.858 7.049 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.734 6.936 -6.703 1.00 0.00 H new ATOM 898 N LYS A 76 -4.054 4.412 -7.564 1.00 0.00 N ATOM 899 CA LYS A 76 -5.470 4.060 -7.664 1.00 0.00 C ATOM 900 C LYS A 76 -5.624 2.592 -8.058 1.00 0.00 C ATOM 901 O LYS A 76 -6.397 2.253 -8.955 1.00 0.00 O ATOM 902 CB LYS A 76 -6.157 4.954 -8.698 1.00 0.00 C ATOM 903 CG LYS A 76 -6.274 6.405 -8.263 1.00 0.00 C ATOM 904 CD LYS A 76 -6.982 7.246 -9.312 1.00 0.00 C ATOM 905 CE LYS A 76 -7.140 8.687 -8.856 1.00 0.00 C ATOM 906 NZ LYS A 76 -7.949 8.792 -7.610 1.00 0.00 N ATOM 0 H LYS A 76 -3.522 4.246 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.940 4.213 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.600 4.907 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.154 4.562 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.820 6.461 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.280 6.812 -8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.418 7.218 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.963 6.819 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.156 9.124 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.615 9.268 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.262 9.775 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.780 8.171 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.371 8.503 -6.795 1.00 0.00 H new ATOM 920 N MET A 77 -4.879 1.728 -7.376 1.00 0.00 N ATOM 921 CA MET A 77 -4.879 0.298 -7.677 1.00 0.00 C ATOM 922 C MET A 77 -5.899 -0.532 -6.890 1.00 0.00 C ATOM 923 O MET A 77 -6.353 -1.563 -7.389 1.00 0.00 O ATOM 924 CB MET A 77 -3.486 -0.264 -7.431 1.00 0.00 C ATOM 925 CG MET A 77 -2.436 0.317 -8.360 1.00 0.00 C ATOM 926 SD MET A 77 -2.795 -0.009 -10.097 1.00 0.00 S ATOM 927 CE MET A 77 -2.812 -1.800 -10.113 1.00 0.00 C ATOM 0 H MET A 77 -4.264 1.994 -6.607 1.00 0.00 H new ATOM 0 HA MET A 77 -5.175 0.218 -8.723 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.198 -0.066 -6.398 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.511 -1.347 -7.553 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.371 1.393 -8.202 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.461 -0.102 -8.109 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.950 -2.167 -10.670 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.769 -2.173 -9.090 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.728 -2.151 -10.589 1.00 0.00 H new ATOM 937 N LYS A 78 -6.313 -0.090 -5.703 1.00 0.00 N ATOM 938 CA LYS A 78 -7.228 -0.916 -4.910 1.00 0.00 C ATOM 939 C LYS A 78 -8.494 -1.228 -5.690 1.00 0.00 C ATOM 940 O LYS A 78 -8.704 -2.369 -6.111 1.00 0.00 O ATOM 941 CB LYS A 78 -7.590 -0.251 -3.585 1.00 0.00 C ATOM 942 CG LYS A 78 -8.526 -1.081 -2.722 1.00 0.00 C ATOM 943 CD LYS A 78 -9.988 -0.808 -3.040 1.00 0.00 C ATOM 944 CE LYS A 78 -10.694 -2.046 -3.574 1.00 0.00 C ATOM 945 NZ LYS A 78 -12.124 -1.779 -3.897 1.00 0.00 N ATOM 0 H LYS A 78 -6.044 0.799 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.705 -1.847 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.675 -0.052 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.056 0.713 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.314 -2.140 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.337 -0.864 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.496 -0.460 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.056 -0.006 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.180 -2.399 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.633 -2.845 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.507 -2.568 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.667 -1.683 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.197 -0.899 -4.446 1.00 0.00 H new ATOM 959 N PHE A 79 -9.332 -0.226 -5.890 1.00 0.00 N ATOM 960 CA PHE A 79 -10.560 -0.415 -6.640 1.00 0.00 C ATOM 961 C PHE A 79 -10.278 -0.866 -8.077 1.00 0.00 C ATOM 962 O PHE A 79 -11.195 -1.276 -8.788 1.00 0.00 O ATOM 963 CB PHE A 79 -11.369 0.882 -6.671 1.00 0.00 C ATOM 964 CG PHE A 79 -12.703 0.742 -7.346 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.779 0.183 -6.675 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.881 1.169 -8.652 1.00 0.00 C ATOM 967 CE1 PHE A 79 -15.007 0.053 -7.294 1.00 0.00 C ATOM 968 CE2 PHE A 79 -14.107 1.041 -9.277 1.00 0.00 C ATOM 969 CZ PHE A 79 -15.172 0.482 -8.597 1.00 0.00 C ATOM 0 H PHE A 79 -9.185 0.723 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.131 -1.195 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.523 1.229 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.790 1.649 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.656 -0.155 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.052 1.607 -9.188 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.838 -0.384 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.232 1.377 -10.296 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.131 0.381 -9.083 1.00 0.00 H new ATOM 979 N GLU A 80 -9.016 -0.785 -8.509 1.00 0.00 N ATOM 980 CA GLU A 80 -8.659 -1.170 -9.873 1.00 0.00 C ATOM 981 C GLU A 80 -8.276 -2.643 -9.961 1.00 0.00 C ATOM 982 O GLU A 80 -8.394 -3.261 -11.018 1.00 0.00 O ATOM 983 CB GLU A 80 -7.505 -0.303 -10.381 1.00 0.00 C ATOM 984 CG GLU A 80 -7.113 -0.598 -11.820 1.00 0.00 C ATOM 985 CD GLU A 80 -5.978 0.282 -12.307 1.00 0.00 C ATOM 986 OE1 GLU A 80 -6.258 1.400 -12.787 1.00 0.00 O ATOM 987 OE2 GLU A 80 -4.810 -0.149 -12.210 1.00 0.00 O ATOM 0 H GLU A 80 -8.234 -0.460 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.537 -1.013 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.786 0.747 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.638 -0.454 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.819 -1.644 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.980 -0.457 -12.465 1.00 0.00 H new ATOM 994 N GLU A 81 -7.817 -3.204 -8.848 1.00 0.00 N ATOM 995 CA GLU A 81 -7.408 -4.596 -8.811 1.00 0.00 C ATOM 996 C GLU A 81 -8.583 -5.455 -8.391 1.00 0.00 C ATOM 997 O GLU A 81 -9.069 -6.294 -9.148 1.00 0.00 O ATOM 998 CB GLU A 81 -6.236 -4.787 -7.844 1.00 0.00 C ATOM 999 CG GLU A 81 -5.525 -6.121 -8.003 1.00 0.00 C ATOM 1000 CD GLU A 81 -4.916 -6.296 -9.380 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -3.749 -5.893 -9.569 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -5.606 -6.836 -10.270 1.00 0.00 O ATOM 0 H GLU A 81 -7.720 -2.712 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.079 -4.897 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.517 -3.982 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.602 -4.700 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.741 -6.203 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.232 -6.930 -7.817 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.032 -5.222 -7.160 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.157 -5.945 -6.591 1.00 0.00 C ATOM 1011 C LEU A 82 -9.799 -7.400 -6.299 1.00 0.00 C ATOM 1012 O LEU A 82 -10.612 -8.145 -5.751 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.369 -5.883 -7.523 1.00 0.00 C ATOM 1014 CG LEU A 82 -11.831 -4.482 -7.942 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -11.719 -3.502 -6.782 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.033 -3.994 -9.136 1.00 0.00 C ATOM 0 H LEU A 82 -8.625 -4.528 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.409 -5.461 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.137 -6.451 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.203 -6.387 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.880 -4.542 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.053 -2.516 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.343 -3.843 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.681 -3.444 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.374 -2.998 -9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.975 -3.954 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.175 -4.678 -9.973 1.00 0.00 H new ATOM 1028 N LYS A 83 -8.581 -7.804 -6.658 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.135 -9.172 -6.433 1.00 0.00 C ATOM 1030 C LYS A 83 -7.176 -9.239 -5.249 1.00 0.00 C ATOM 1031 O LYS A 83 -6.398 -10.183 -5.123 1.00 0.00 O ATOM 1032 CB LYS A 83 -7.443 -9.720 -7.683 1.00 0.00 C ATOM 1033 CG LYS A 83 -8.168 -9.424 -8.987 1.00 0.00 C ATOM 1034 CD LYS A 83 -9.384 -10.314 -9.170 1.00 0.00 C ATOM 1035 CE LYS A 83 -10.600 -9.731 -8.479 1.00 0.00 C ATOM 1036 NZ LYS A 83 -11.727 -10.703 -8.418 1.00 0.00 N ATOM 0 H LYS A 83 -7.889 -7.202 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.012 -9.780 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.437 -9.303 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.335 -10.800 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.477 -8.379 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.484 -9.566 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.591 -10.437 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.175 -11.306 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.330 -9.425 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.923 -8.835 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.538 -10.264 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.002 -10.976 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.428 -11.548 -7.891 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.238 -8.233 -4.382 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.376 -8.169 -3.217 1.00 0.00 C ATOM 1052 C ILE A 84 -7.180 -8.094 -1.913 1.00 0.00 C ATOM 1053 O ILE A 84 -6.882 -7.274 -1.045 1.00 0.00 O ATOM 1054 CB ILE A 84 -5.445 -6.942 -3.310 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -6.270 -5.657 -3.386 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -4.535 -7.058 -4.526 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -5.432 -4.410 -3.572 1.00 0.00 C ATOM 0 H ILE A 84 -7.883 -7.448 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.786 -9.085 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.825 -6.907 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.976 -5.737 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.857 -5.557 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.884 -6.185 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.927 -7.959 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.141 -7.113 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.083 -3.537 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.744 -4.306 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.865 -4.488 -4.499 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.212 -8.951 -1.750 1.00 0.00 N ATOM 1070 CA PRO A 85 -9.036 -8.962 -0.537 1.00 0.00 C ATOM 1071 C PRO A 85 -8.197 -8.914 0.738 1.00 0.00 C ATOM 1072 O PRO A 85 -8.268 -7.954 1.503 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.785 -10.290 -0.629 1.00 0.00 C ATOM 1074 CG PRO A 85 -9.874 -10.582 -2.087 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.661 -9.961 -2.729 1.00 0.00 C ATOM 0 HA PRO A 85 -9.688 -8.090 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.253 -11.081 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.775 -10.216 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.898 -11.657 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.790 -10.168 -2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.886 -10.704 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.907 -9.505 -3.688 1.00 0.00 H new ATOM 1083 N LYS A 86 -7.406 -9.961 0.961 1.00 0.00 N ATOM 1084 CA LYS A 86 -6.553 -10.037 2.142 1.00 0.00 C ATOM 1085 C LYS A 86 -5.399 -11.020 1.939 1.00 0.00 C ATOM 1086 O LYS A 86 -4.759 -11.440 2.904 1.00 0.00 O ATOM 1087 CB LYS A 86 -7.379 -10.453 3.360 1.00 0.00 C ATOM 1088 CG LYS A 86 -8.135 -11.758 3.161 1.00 0.00 C ATOM 1089 CD LYS A 86 -8.903 -12.156 4.410 1.00 0.00 C ATOM 1090 CE LYS A 86 -7.965 -12.468 5.567 1.00 0.00 C ATOM 1091 NZ LYS A 86 -7.059 -13.607 5.254 1.00 0.00 N ATOM 0 H LYS A 86 -7.339 -10.767 0.340 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.128 -9.047 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.718 -10.552 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.091 -9.662 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.827 -11.654 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.433 -12.549 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.578 -11.349 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.521 -13.028 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.371 -11.585 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.550 -12.703 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.621 -13.953 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.606 -14.374 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.317 -13.290 4.598 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.136 -11.387 0.688 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.061 -12.322 0.376 1.00 0.00 C ATOM 1107 C ASP A 87 -2.954 -11.638 -0.420 1.00 0.00 C ATOM 1108 O ASP A 87 -1.782 -11.998 -0.309 1.00 0.00 O ATOM 1109 CB ASP A 87 -4.606 -13.516 -0.410 1.00 0.00 C ATOM 1110 CG ASP A 87 -5.664 -14.281 0.360 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -6.858 -13.936 0.232 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -5.300 -15.227 1.090 1.00 0.00 O ATOM 0 H ASP A 87 -5.652 -11.051 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.640 -12.676 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.028 -13.165 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.785 -14.188 -0.660 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.335 -10.652 -1.226 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.377 -9.922 -2.046 1.00 0.00 C ATOM 1119 C TYR A 88 -1.627 -8.878 -1.223 1.00 0.00 C ATOM 1120 O TYR A 88 -2.193 -8.240 -0.328 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.088 -9.264 -3.227 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.477 -10.242 -4.312 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.228 -11.373 -4.019 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.093 -10.032 -5.631 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.585 -12.269 -5.010 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.446 -10.923 -6.627 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.191 -12.040 -6.311 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.545 -12.929 -7.300 1.00 0.00 O ATOM 0 H TYR A 88 -4.301 -10.341 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.645 -10.634 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.983 -8.757 -2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.438 -8.499 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.538 -11.556 -3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.509 -9.159 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.170 -13.144 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.140 -10.746 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.190 -12.621 -8.160 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.349 -8.701 -1.542 1.00 0.00 N ATOM 1139 CA VAL A 89 0.491 -7.757 -0.821 1.00 0.00 C ATOM 1140 C VAL A 89 1.361 -6.931 -1.762 1.00 0.00 C ATOM 1141 O VAL A 89 2.082 -7.477 -2.597 1.00 0.00 O ATOM 1142 CB VAL A 89 1.400 -8.499 0.177 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.355 -9.433 -0.552 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.169 -7.515 1.048 1.00 0.00 C ATOM 0 H VAL A 89 0.126 -9.199 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.178 -7.082 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 89 0.765 -9.101 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.987 -9.946 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.783 -10.168 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.980 -8.855 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.803 -8.064 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.789 -6.878 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.466 -6.898 1.607 1.00 0.00 H new ATOM 1154 N VAL A 90 1.285 -5.611 -1.624 1.00 0.00 N ATOM 1155 CA VAL A 90 2.087 -4.718 -2.439 1.00 0.00 C ATOM 1156 C VAL A 90 3.463 -4.550 -1.820 1.00 0.00 C ATOM 1157 O VAL A 90 3.608 -4.504 -0.597 1.00 0.00 O ATOM 1158 CB VAL A 90 1.433 -3.331 -2.606 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.211 -2.499 -3.620 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.023 -3.479 -3.019 1.00 0.00 C ATOM 0 H VAL A 90 0.676 -5.141 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 90 2.168 -5.171 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 90 1.460 -2.810 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.739 -1.523 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.237 -2.370 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.214 -3.009 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.471 -2.492 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.080 -4.015 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.563 -4.037 -2.254 1.00 0.00 H new ATOM 1170 N GLN A 91 4.469 -4.458 -2.668 1.00 0.00 N ATOM 1171 CA GLN A 91 5.831 -4.306 -2.204 1.00 0.00 C ATOM 1172 C GLN A 91 6.153 -2.833 -2.052 1.00 0.00 C ATOM 1173 O GLN A 91 5.671 -1.999 -2.815 1.00 0.00 O ATOM 1174 CB GLN A 91 6.816 -4.980 -3.157 1.00 0.00 C ATOM 1175 CG GLN A 91 8.053 -5.517 -2.458 1.00 0.00 C ATOM 1176 CD GLN A 91 9.331 -4.854 -2.934 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.961 -5.306 -3.890 1.00 0.00 O ATOM 1178 NE2 GLN A 91 9.723 -3.778 -2.263 1.00 0.00 N ATOM 0 H GLN A 91 4.367 -4.486 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 91 5.927 -4.795 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.312 -5.799 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.120 -4.264 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.951 -5.369 -1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.122 -6.592 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.170 -3.438 -1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.577 -3.291 -2.534 1.00 0.00 H new ATOM 1187 N VAL A 92 6.965 -2.519 -1.066 1.00 0.00 N ATOM 1188 CA VAL A 92 7.318 -1.139 -0.789 1.00 0.00 C ATOM 1189 C VAL A 92 8.809 -0.987 -0.511 1.00 0.00 C ATOM 1190 O VAL A 92 9.432 -1.868 0.081 1.00 0.00 O ATOM 1191 CB VAL A 92 6.528 -0.636 0.430 1.00 0.00 C ATOM 1192 CG1 VAL A 92 5.178 -0.081 0.045 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.327 -1.764 1.408 1.00 0.00 C ATOM 0 H VAL A 92 7.395 -3.200 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 92 7.069 -0.549 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 92 7.110 0.167 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.657 0.262 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.311 0.756 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.590 -0.859 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.767 -1.402 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.772 -2.569 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.297 -2.138 1.736 1.00 0.00 H new ATOM 1203 N ILE A 93 9.376 0.135 -0.942 1.00 0.00 N ATOM 1204 CA ILE A 93 10.788 0.404 -0.721 1.00 0.00 C ATOM 1205 C ILE A 93 10.963 1.712 0.035 1.00 0.00 C ATOM 1206 O ILE A 93 10.540 2.775 -0.422 1.00 0.00 O ATOM 1207 CB ILE A 93 11.592 0.481 -2.032 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.010 -0.463 -3.087 1.00 0.00 C ATOM 1209 CG2 ILE A 93 13.053 0.149 -1.772 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.730 -0.401 -4.415 1.00 0.00 C ATOM 0 H ILE A 93 8.879 0.870 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 93 11.173 -0.432 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 93 11.525 1.499 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.048 -1.485 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.959 -0.219 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.611 0.207 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.466 0.861 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.130 -0.859 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.264 -1.096 -5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.670 0.611 -4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.776 -0.674 -4.275 1.00 0.00 H new ATOM 1222 N VAL A 94 11.582 1.610 1.196 1.00 0.00 N ATOM 1223 CA VAL A 94 11.835 2.763 2.054 1.00 0.00 C ATOM 1224 C VAL A 94 13.310 2.846 2.428 1.00 0.00 C ATOM 1225 O VAL A 94 13.776 2.146 3.328 1.00 0.00 O ATOM 1226 CB VAL A 94 10.972 2.714 3.343 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.803 1.281 3.823 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.578 3.574 4.448 1.00 0.00 C ATOM 0 H VAL A 94 11.925 0.728 1.575 1.00 0.00 H new ATOM 0 HA VAL A 94 11.558 3.653 1.488 1.00 0.00 H new ATOM 0 HB VAL A 94 9.990 3.119 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.195 1.270 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.311 0.693 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.781 0.852 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.950 3.519 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.577 3.210 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.640 4.609 4.111 1.00 0.00 H new ATOM 1238 N SER A 95 14.039 3.705 1.727 1.00 0.00 N ATOM 1239 CA SER A 95 15.461 3.889 1.980 1.00 0.00 C ATOM 1240 C SER A 95 15.747 5.299 2.489 1.00 0.00 C ATOM 1241 O SER A 95 16.809 5.860 2.224 1.00 0.00 O ATOM 1242 CB SER A 95 16.261 3.623 0.704 1.00 0.00 C ATOM 1243 OG SER A 95 17.655 3.689 0.952 1.00 0.00 O ATOM 0 H SER A 95 13.667 4.287 0.976 1.00 0.00 H new ATOM 0 HA SER A 95 15.764 3.178 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.005 2.640 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.989 4.353 -0.058 1.00 0.00 H new ATOM 0 HG SER A 95 17.854 4.483 1.491 1.00 0.00 H new ATOM 1249 N GLN A 96 14.790 5.865 3.222 1.00 0.00 N ATOM 1250 CA GLN A 96 14.944 7.210 3.767 1.00 0.00 C ATOM 1251 C GLN A 96 14.711 7.218 5.279 1.00 0.00 C ATOM 1252 O GLN A 96 13.933 8.025 5.789 1.00 0.00 O ATOM 1253 CB GLN A 96 13.966 8.176 3.091 1.00 0.00 C ATOM 1254 CG GLN A 96 13.810 7.948 1.596 1.00 0.00 C ATOM 1255 CD GLN A 96 12.790 8.878 0.969 1.00 0.00 C ATOM 1256 OE1 GLN A 96 11.827 9.289 1.616 1.00 0.00 O ATOM 1257 NE2 GLN A 96 12.998 9.216 -0.299 1.00 0.00 N ATOM 0 H GLN A 96 13.904 5.415 3.451 1.00 0.00 H new ATOM 0 HA GLN A 96 15.965 7.536 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 96 12.990 8.082 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.305 9.198 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.774 8.090 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.512 6.915 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.810 8.852 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.346 9.840 -0.774 1.00 0.00 H new ATOM 1266 N PRO A 97 15.381 6.317 6.019 1.00 0.00 N ATOM 1267 CA PRO A 97 15.236 6.230 7.475 1.00 0.00 C ATOM 1268 C PRO A 97 16.013 7.319 8.210 1.00 0.00 C ATOM 1269 O PRO A 97 15.715 7.636 9.361 1.00 0.00 O ATOM 1270 CB PRO A 97 15.817 4.855 7.794 1.00 0.00 C ATOM 1271 CG PRO A 97 16.850 4.638 6.744 1.00 0.00 C ATOM 1272 CD PRO A 97 16.332 5.312 5.501 1.00 0.00 C ATOM 0 HA PRO A 97 14.202 6.364 7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.254 4.830 8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.049 4.082 7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.808 5.062 7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 97 17.012 3.574 6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.137 5.778 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.841 4.602 4.835 1.00 0.00 H new ATOM 1280 N VAL A 98 17.010 7.890 7.539 1.00 0.00 N ATOM 1281 CA VAL A 98 17.829 8.937 8.137 1.00 0.00 C ATOM 1282 C VAL A 98 17.302 10.326 7.791 1.00 0.00 C ATOM 1283 O VAL A 98 17.326 11.233 8.622 1.00 0.00 O ATOM 1284 CB VAL A 98 19.299 8.826 7.684 1.00 0.00 C ATOM 1285 CG1 VAL A 98 19.411 8.996 6.175 1.00 0.00 C ATOM 1286 CG2 VAL A 98 20.162 9.848 8.408 1.00 0.00 C ATOM 0 H VAL A 98 17.269 7.645 6.583 1.00 0.00 H new ATOM 0 HA VAL A 98 17.776 8.797 9.217 1.00 0.00 H new ATOM 0 HB VAL A 98 19.662 7.831 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 98 20.456 8.914 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 98 18.830 8.220 5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 98 19.028 9.976 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 98 21.195 9.753 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 98 19.800 10.852 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 98 20.110 9.672 9.482 1.00 0.00 H new ATOM 1296 N GLN A 99 16.824 10.490 6.561 1.00 0.00 N ATOM 1297 CA GLN A 99 16.298 11.775 6.112 1.00 0.00 C ATOM 1298 C GLN A 99 14.869 11.637 5.597 1.00 0.00 C ATOM 1299 O GLN A 99 14.554 10.711 4.851 1.00 0.00 O ATOM 1300 CB GLN A 99 17.191 12.360 5.016 1.00 0.00 C ATOM 1301 CG GLN A 99 17.297 11.479 3.782 1.00 0.00 C ATOM 1302 CD GLN A 99 18.182 12.082 2.709 1.00 0.00 C ATOM 1303 OE1 GLN A 99 19.125 12.817 3.007 1.00 0.00 O ATOM 1304 NE2 GLN A 99 17.883 11.775 1.452 1.00 0.00 N ATOM 0 H GLN A 99 16.790 9.751 5.859 1.00 0.00 H new ATOM 0 HA GLN A 99 16.290 12.450 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.801 13.335 4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 99 18.189 12.524 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.693 10.505 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.301 11.311 3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.093 11.162 1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.444 12.152 0.688 1.00 0.00 H new ATOM 1313 N ASN A 100 14.010 12.566 6.004 1.00 0.00 N ATOM 1314 CA ASN A 100 12.613 12.558 5.584 1.00 0.00 C ATOM 1315 C ASN A 100 11.949 11.224 5.912 1.00 0.00 C ATOM 1316 O ASN A 100 11.993 10.315 5.057 1.00 0.00 O ATOM 1317 CB ASN A 100 12.513 12.836 4.084 1.00 0.00 C ATOM 1318 CG ASN A 100 11.077 12.951 3.609 1.00 0.00 C ATOM 1319 OD1 ASN A 100 10.496 14.037 3.611 1.00 0.00 O ATOM 1320 ND2 ASN A 100 10.497 11.830 3.200 1.00 0.00 N ATOM 0 H ASN A 100 14.258 13.336 6.626 1.00 0.00 H new ATOM 0 HA ASN A 100 12.091 13.343 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.044 13.759 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.011 12.036 3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.532 11.846 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.016 10.952 3.215 1.00 0.00 H new TER 1327 ASN A 100