USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1210 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 129 THR OG1 : rot 67:sc= 1.15 USER MOD Set 1.2: A 130 LYS NZ :NH3+ 174:sc= -0.642 (180deg=-0.794) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -5.47! C(o=-7.3!,f=-12!) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 159:sc= -1.78 (180deg=-2.32!) USER MOD Set 3.1: A 1 MET CE :methyl 150:sc= -0.127 (180deg=-0.714) USER MOD Set 3.2: A 4 HIS : no HE2:sc= 0.543 K(o=0.42,f=-2!) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0331 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.2) USER MOD Single : A 3 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.14) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 7 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.015) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0216 (180deg=-0.251) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.063) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 19 SER OG : rot 32:sc= 0.568 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -31:sc= 0.689 USER MOD Single : A 35 ASN : amide:sc= -1.11 K(o=-1.1,f=-9.7!) USER MOD Single : A 39 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.18) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0388 (180deg=-0.185) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -1.4 USER MOD Single : A 55 SER OG : rot -92:sc= 0.326 USER MOD Single : A 56 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.61) USER MOD Single : A 57 GLN : amide:sc= 0.366 X(o=0.37,f=-0.0065) USER MOD Single : A 60 ASN : amide:sc= -0.601 K(o=-0.6,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= -2.21! K(o=-2.2!,f=-1.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 171:sc= 0 (180deg=-0.0758) USER MOD Single : A 77 SER OG : rot -88:sc= -0.25 USER MOD Single : A 80 CYS SG : rot -85:sc= -8.55! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.933 K(o=-0.93,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.98! C(o=-2!,f=-6!) USER MOD Single : A 99 ASN : amide:sc= -0.766 K(o=-0.77,f=-5.6!) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc=-0.00907 (180deg=-0.0976) USER MOD Single : A 105 GLN : amide:sc= -2.82 K(o=-2.8,f=-8.9!) USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= -1.51 (180deg=-5.53!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.15) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 115 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.032) USER MOD Single : A 122 GLN : amide:sc= -5.12! K(o=-5.1!,f=-2) USER MOD Single : A 126 THR OG1 : rot -114:sc= -4.17! USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 170:sc= -0.16 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot -121:sc= -1.05! USER MOD Single : A 144 LYS NZ :NH3+ 165:sc= -0.0644 (180deg=-0.323) USER MOD Single : A 145 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.121) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 129:sc= -0.0243 (180deg=-0.322) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.440 26.025 -35.157 1.00 49.86 N ATOM 2 CA MET A 1 31.858 26.061 -35.598 1.00 49.83 C ATOM 3 C MET A 1 32.020 25.399 -36.962 1.00 49.39 C ATOM 4 O MET A 1 31.289 24.469 -37.305 1.00 49.33 O ATOM 5 CB MET A 1 32.747 25.358 -34.568 1.00 50.04 C ATOM 6 CG MET A 1 34.228 25.395 -34.911 1.00 50.55 C ATOM 7 SD MET A 1 35.251 24.570 -33.675 1.00 50.77 S ATOM 8 CE MET A 1 34.611 22.900 -33.766 1.00 51.02 C ATOM 0 H1 MET A 1 30.393 25.719 -34.164 1.00 49.86 H new ATOM 0 H2 MET A 1 30.024 26.974 -35.247 1.00 49.86 H new ATOM 0 H3 MET A 1 29.909 25.357 -35.751 1.00 49.86 H new ATOM 0 HA MET A 1 32.163 27.104 -35.683 1.00 49.83 H new ATOM 0 HB2 MET A 1 32.597 25.824 -33.594 1.00 50.04 H new ATOM 0 HB3 MET A 1 32.430 24.319 -34.477 1.00 50.04 H new ATOM 0 HG2 MET A 1 34.384 24.921 -35.880 1.00 50.55 H new ATOM 0 HG3 MET A 1 34.548 26.432 -35.008 1.00 50.55 H new ATOM 0 HE1 MET A 1 35.402 22.193 -33.517 1.00 51.02 H new ATOM 0 HE2 MET A 1 33.788 22.787 -33.060 1.00 51.02 H new ATOM 0 HE3 MET A 1 34.252 22.702 -34.776 1.00 51.02 H new ATOM 20 N HIS A 2 32.984 25.888 -37.738 1.00 49.14 N ATOM 21 CA HIS A 2 33.247 25.348 -39.067 1.00 48.76 C ATOM 22 C HIS A 2 34.085 24.075 -38.981 1.00 48.61 C ATOM 23 O HIS A 2 34.118 23.413 -37.944 1.00 48.62 O ATOM 24 CB HIS A 2 33.961 26.393 -39.928 1.00 48.61 C ATOM 25 CG HIS A 2 35.246 26.882 -39.335 1.00 48.88 C ATOM 26 ND1 HIS A 2 36.474 26.333 -39.641 1.00 48.99 N ATOM 27 CD2 HIS A 2 35.493 27.880 -38.453 1.00 49.11 C ATOM 28 CE1 HIS A 2 37.419 26.972 -38.972 1.00 49.28 C ATOM 29 NE2 HIS A 2 36.850 27.915 -38.246 1.00 49.36 N ATOM 0 H HIS A 2 33.596 26.658 -37.468 1.00 49.14 H new ATOM 0 HA HIS A 2 32.293 25.098 -39.530 1.00 48.76 H new ATOM 0 HB2 HIS A 2 34.163 25.966 -40.910 1.00 48.61 H new ATOM 0 HB3 HIS A 2 33.295 27.242 -40.081 1.00 48.61 H new ATOM 0 HD2 HIS A 2 34.759 28.528 -37.997 1.00 49.11 H new ATOM 0 HE1 HIS A 2 38.477 26.758 -39.013 1.00 49.28 H new ATOM 0 HE2 HIS A 2 37.339 28.565 -37.630 1.00 49.36 H new ATOM 38 N HIS A 3 34.753 23.735 -40.085 1.00 48.51 N ATOM 39 CA HIS A 3 35.597 22.543 -40.146 1.00 48.41 C ATOM 40 C HIS A 3 34.759 21.272 -40.019 1.00 47.69 C ATOM 41 O HIS A 3 35.295 20.171 -39.882 1.00 47.71 O ATOM 42 CB HIS A 3 36.667 22.590 -39.049 1.00 48.65 C ATOM 43 CG HIS A 3 37.793 21.626 -39.260 1.00 49.23 C ATOM 44 ND1 HIS A 3 38.812 21.845 -40.163 1.00 49.67 N ATOM 45 CD2 HIS A 3 38.060 20.432 -38.678 1.00 49.51 C ATOM 46 CE1 HIS A 3 39.657 20.828 -40.127 1.00 50.18 C ATOM 47 NE2 HIS A 3 39.223 19.959 -39.235 1.00 50.10 N ATOM 0 H HIS A 3 34.725 24.272 -40.952 1.00 48.51 H new ATOM 0 HA HIS A 3 36.092 22.527 -41.117 1.00 48.41 H new ATOM 0 HB2 HIS A 3 37.072 23.600 -38.993 1.00 48.65 H new ATOM 0 HB3 HIS A 3 36.198 22.381 -38.088 1.00 48.65 H new ATOM 0 HD2 HIS A 3 37.469 19.943 -37.918 1.00 49.51 H new ATOM 0 HE1 HIS A 3 40.550 20.727 -40.726 1.00 50.18 H new ATOM 0 HE2 HIS A 3 39.678 19.078 -38.997 1.00 50.10 H new ATOM 56 N HIS A 4 33.441 21.430 -40.075 1.00 47.09 N ATOM 57 CA HIS A 4 32.528 20.297 -39.970 1.00 46.41 C ATOM 58 C HIS A 4 31.608 20.222 -41.185 1.00 46.39 C ATOM 59 O HIS A 4 31.447 21.199 -41.915 1.00 46.85 O ATOM 60 CB HIS A 4 31.696 20.397 -38.692 1.00 45.73 C ATOM 61 CG HIS A 4 32.440 19.988 -37.459 1.00 45.44 C ATOM 62 ND1 HIS A 4 33.545 20.664 -36.985 1.00 45.50 N ATOM 63 CD2 HIS A 4 32.232 18.963 -36.599 1.00 45.16 C ATOM 64 CE1 HIS A 4 33.985 20.071 -35.890 1.00 45.26 C ATOM 65 NE2 HIS A 4 33.205 19.036 -35.633 1.00 45.05 N ATOM 0 H HIS A 4 32.980 22.332 -40.193 1.00 47.09 H new ATOM 0 HA HIS A 4 33.127 19.387 -39.933 1.00 46.41 H new ATOM 0 HB2 HIS A 4 31.350 21.424 -38.573 1.00 45.73 H new ATOM 0 HB3 HIS A 4 30.809 19.771 -38.796 1.00 45.73 H new ATOM 0 HD1 HIS A 4 33.958 21.493 -37.413 1.00 45.50 H new ATOM 0 HD2 HIS A 4 31.446 18.225 -36.661 1.00 45.16 H new ATOM 0 HE1 HIS A 4 34.838 20.380 -35.304 1.00 45.26 H new ATOM 74 N HIS A 5 31.008 19.053 -41.394 1.00 45.90 N ATOM 75 CA HIS A 5 30.105 18.846 -42.519 1.00 45.88 C ATOM 76 C HIS A 5 28.790 18.226 -42.055 1.00 45.61 C ATOM 77 O HIS A 5 27.998 17.743 -42.865 1.00 45.58 O ATOM 78 CB HIS A 5 30.763 17.950 -43.570 1.00 46.02 C ATOM 79 CG HIS A 5 32.024 18.525 -44.139 1.00 46.32 C ATOM 80 ND1 HIS A 5 33.281 18.058 -43.812 1.00 46.47 N ATOM 81 CD2 HIS A 5 32.219 19.531 -45.024 1.00 46.57 C ATOM 82 CE1 HIS A 5 34.193 18.752 -44.469 1.00 46.78 C ATOM 83 NE2 HIS A 5 33.576 19.651 -45.211 1.00 46.84 N ATOM 0 H HIS A 5 31.132 18.235 -40.798 1.00 45.90 H new ATOM 0 HA HIS A 5 29.890 19.818 -42.964 1.00 45.88 H new ATOM 0 HB2 HIS A 5 30.984 16.981 -43.123 1.00 46.02 H new ATOM 0 HB3 HIS A 5 30.055 17.773 -44.380 1.00 46.02 H new ATOM 0 HD2 HIS A 5 31.452 20.128 -45.495 1.00 46.57 H new ATOM 0 HE1 HIS A 5 35.262 18.608 -44.409 1.00 46.78 H new ATOM 0 HE2 HIS A 5 34.032 20.326 -45.825 1.00 46.84 H new ATOM 92 N HIS A 6 28.564 18.245 -40.744 1.00 45.48 N ATOM 93 CA HIS A 6 27.347 17.683 -40.169 1.00 45.30 C ATOM 94 C HIS A 6 26.216 18.706 -40.183 1.00 44.98 C ATOM 95 O HIS A 6 26.269 19.713 -39.478 1.00 44.86 O ATOM 96 CB HIS A 6 27.608 17.214 -38.738 1.00 45.32 C ATOM 97 CG HIS A 6 28.720 16.218 -38.628 1.00 45.57 C ATOM 98 ND1 HIS A 6 30.052 16.574 -38.628 1.00 45.97 N ATOM 99 CD2 HIS A 6 28.694 14.868 -38.515 1.00 45.54 C ATOM 100 CE1 HIS A 6 30.797 15.490 -38.520 1.00 46.17 C ATOM 101 NE2 HIS A 6 29.997 14.442 -38.448 1.00 45.91 N ATOM 0 H HIS A 6 29.208 18.644 -40.061 1.00 45.48 H new ATOM 0 HA HIS A 6 27.047 16.829 -40.776 1.00 45.30 H new ATOM 0 HB2 HIS A 6 27.843 18.079 -38.118 1.00 45.32 H new ATOM 0 HB3 HIS A 6 26.695 16.773 -38.337 1.00 45.32 H new ATOM 0 HD2 HIS A 6 27.813 14.244 -38.484 1.00 45.54 H new ATOM 0 HE1 HIS A 6 31.876 15.464 -38.495 1.00 46.17 H new ATOM 0 HE2 HIS A 6 30.299 13.472 -38.357 1.00 45.91 H new ATOM 110 N HIS A 7 25.191 18.439 -40.989 1.00 44.90 N ATOM 111 CA HIS A 7 24.044 19.334 -41.093 1.00 44.66 C ATOM 112 C HIS A 7 22.736 18.550 -41.054 1.00 44.00 C ATOM 113 O HIS A 7 21.698 19.075 -40.654 1.00 43.85 O ATOM 114 CB HIS A 7 24.122 20.153 -42.384 1.00 45.10 C ATOM 115 CG HIS A 7 25.374 20.964 -42.505 1.00 45.54 C ATOM 116 ND1 HIS A 7 26.289 20.787 -43.523 1.00 45.83 N ATOM 117 CD2 HIS A 7 25.860 21.966 -41.736 1.00 45.79 C ATOM 118 CE1 HIS A 7 27.282 21.643 -43.372 1.00 46.25 C ATOM 119 NE2 HIS A 7 27.047 22.370 -42.295 1.00 46.23 N ATOM 0 H HIS A 7 25.132 17.609 -41.579 1.00 44.90 H new ATOM 0 HA HIS A 7 24.067 20.012 -40.239 1.00 44.66 H new ATOM 0 HB2 HIS A 7 24.052 19.478 -43.237 1.00 45.10 H new ATOM 0 HB3 HIS A 7 23.261 20.820 -42.434 1.00 45.10 H new ATOM 0 HD2 HIS A 7 25.400 22.372 -40.848 1.00 45.79 H new ATOM 0 HE1 HIS A 7 28.141 21.734 -44.020 1.00 46.25 H new ATOM 0 HE2 HIS A 7 27.649 23.111 -41.937 1.00 46.23 H new ATOM 128 N LYS A 8 22.795 17.290 -41.475 1.00 43.67 N ATOM 129 CA LYS A 8 21.614 16.433 -41.489 1.00 43.08 C ATOM 130 C LYS A 8 21.576 15.535 -40.256 1.00 42.49 C ATOM 131 O LYS A 8 22.291 14.536 -40.181 1.00 42.51 O ATOM 132 CB LYS A 8 21.589 15.574 -42.759 1.00 43.05 C ATOM 133 CG LYS A 8 21.129 16.324 -44.005 1.00 43.50 C ATOM 134 CD LYS A 8 22.078 17.456 -44.377 1.00 43.68 C ATOM 135 CE LYS A 8 23.461 16.937 -44.741 1.00 43.82 C ATOM 136 NZ LYS A 8 23.418 16.008 -45.904 1.00 44.03 N ATOM 0 H LYS A 8 23.647 16.840 -41.811 1.00 43.67 H new ATOM 0 HA LYS A 8 20.734 17.076 -41.477 1.00 43.08 H new ATOM 0 HB2 LYS A 8 22.588 15.175 -42.935 1.00 43.05 H new ATOM 0 HB3 LYS A 8 20.929 14.722 -42.596 1.00 43.05 H new ATOM 0 HG2 LYS A 8 21.053 15.627 -44.839 1.00 43.50 H new ATOM 0 HG3 LYS A 8 20.131 16.729 -43.836 1.00 43.50 H new ATOM 0 HD2 LYS A 8 21.666 18.014 -45.218 1.00 43.68 H new ATOM 0 HD3 LYS A 8 22.159 18.152 -43.542 1.00 43.68 H new ATOM 0 HE2 LYS A 8 24.115 17.778 -44.972 1.00 43.82 H new ATOM 0 HE3 LYS A 8 23.894 16.424 -43.882 1.00 43.82 H new ATOM 0 HZ1 LYS A 8 24.383 15.850 -46.258 1.00 44.03 H new ATOM 0 HZ2 LYS A 8 23.005 15.100 -45.608 1.00 44.03 H new ATOM 0 HZ3 LYS A 8 22.836 16.423 -46.659 1.00 44.03 H new ATOM 150 N LEU A 9 20.737 15.901 -39.292 1.00 42.00 N ATOM 151 CA LEU A 9 20.599 15.131 -38.061 1.00 41.46 C ATOM 152 C LEU A 9 19.201 14.530 -37.955 1.00 40.65 C ATOM 153 O LEU A 9 18.413 14.600 -38.898 1.00 40.68 O ATOM 154 CB LEU A 9 20.881 16.017 -36.847 1.00 41.50 C ATOM 155 CG LEU A 9 22.317 16.532 -36.736 1.00 42.05 C ATOM 156 CD1 LEU A 9 22.406 17.652 -35.711 1.00 42.37 C ATOM 157 CD2 LEU A 9 23.257 15.396 -36.366 1.00 42.05 C ATOM 0 H LEU A 9 20.141 16.728 -39.340 1.00 42.00 H new ATOM 0 HA LEU A 9 21.325 14.318 -38.083 1.00 41.46 H new ATOM 0 HB2 LEU A 9 20.206 16.873 -36.877 1.00 41.50 H new ATOM 0 HB3 LEU A 9 20.643 15.455 -35.944 1.00 41.50 H new ATOM 0 HG LEU A 9 22.617 16.931 -37.705 1.00 42.05 H new ATOM 0 HD11 LEU A 9 23.435 18.005 -35.646 1.00 42.37 H new ATOM 0 HD12 LEU A 9 21.758 18.475 -36.014 1.00 42.37 H new ATOM 0 HD13 LEU A 9 22.088 17.280 -34.737 1.00 42.37 H new ATOM 0 HD21 LEU A 9 24.276 15.777 -36.290 1.00 42.05 H new ATOM 0 HD22 LEU A 9 22.956 14.972 -35.408 1.00 42.05 H new ATOM 0 HD23 LEU A 9 23.214 14.624 -37.134 1.00 42.05 H new ATOM 169 N LYS A 10 18.899 13.938 -36.803 1.00 39.97 N ATOM 170 CA LYS A 10 17.594 13.324 -36.580 1.00 39.20 C ATOM 171 C LYS A 10 17.155 13.489 -35.129 1.00 38.40 C ATOM 172 O LYS A 10 15.981 13.728 -34.849 1.00 38.05 O ATOM 173 CB LYS A 10 17.634 11.841 -36.952 1.00 39.22 C ATOM 174 CG LYS A 10 16.491 11.409 -37.855 1.00 39.24 C ATOM 175 CD LYS A 10 16.563 9.926 -38.179 1.00 39.35 C ATOM 176 CE LYS A 10 15.454 9.513 -39.133 1.00 39.61 C ATOM 177 NZ LYS A 10 15.492 8.055 -39.431 1.00 39.79 N ATOM 0 H LYS A 10 19.539 13.871 -36.011 1.00 39.97 H new ATOM 0 HA LYS A 10 16.868 13.830 -37.217 1.00 39.20 H new ATOM 0 HB2 LYS A 10 18.580 11.625 -37.449 1.00 39.22 H new ATOM 0 HB3 LYS A 10 17.610 11.245 -36.039 1.00 39.22 H new ATOM 0 HG2 LYS A 10 15.540 11.630 -37.370 1.00 39.24 H new ATOM 0 HG3 LYS A 10 16.519 11.986 -38.780 1.00 39.24 H new ATOM 0 HD2 LYS A 10 17.532 9.695 -38.623 1.00 39.35 H new ATOM 0 HD3 LYS A 10 16.488 9.347 -37.259 1.00 39.35 H new ATOM 0 HE2 LYS A 10 14.488 9.770 -38.699 1.00 39.61 H new ATOM 0 HE3 LYS A 10 15.546 10.076 -40.062 1.00 39.61 H new ATOM 0 HZ1 LYS A 10 14.720 7.814 -40.085 1.00 39.79 H new ATOM 0 HZ2 LYS A 10 16.404 7.814 -39.869 1.00 39.79 H new ATOM 0 HZ3 LYS A 10 15.379 7.517 -38.548 1.00 39.79 H new ATOM 191 N THR A 11 18.108 13.356 -34.210 1.00 38.18 N ATOM 192 CA THR A 11 17.821 13.492 -32.787 1.00 37.48 C ATOM 193 C THR A 11 18.235 14.869 -32.277 1.00 37.28 C ATOM 194 O THR A 11 19.396 15.259 -32.392 1.00 37.65 O ATOM 195 CB THR A 11 18.546 12.412 -31.962 1.00 37.42 C ATOM 196 OG1 THR A 11 18.240 11.112 -32.482 1.00 37.44 O ATOM 197 CG2 THR A 11 18.139 12.480 -30.497 1.00 37.23 C ATOM 0 H THR A 11 19.084 13.154 -34.426 1.00 38.18 H new ATOM 0 HA THR A 11 16.745 13.368 -32.665 1.00 37.48 H new ATOM 0 HB THR A 11 19.618 12.594 -32.034 1.00 37.42 H new ATOM 0 HG1 THR A 11 18.706 10.430 -31.954 1.00 37.44 H new ATOM 0 HG21 THR A 11 18.665 11.707 -29.937 1.00 37.23 H new ATOM 0 HG22 THR A 11 18.396 13.459 -30.093 1.00 37.23 H new ATOM 0 HG23 THR A 11 17.064 12.323 -30.410 1.00 37.23 H new ATOM 205 N GLU A 12 17.276 15.600 -31.717 1.00 36.75 N ATOM 206 CA GLU A 12 17.540 16.936 -31.192 1.00 36.57 C ATOM 207 C GLU A 12 16.687 17.205 -29.954 1.00 35.74 C ATOM 208 O GLU A 12 16.315 18.347 -29.679 1.00 35.57 O ATOM 209 CB GLU A 12 17.257 17.986 -32.272 1.00 36.66 C ATOM 210 CG GLU A 12 17.848 19.353 -31.969 1.00 36.80 C ATOM 211 CD GLU A 12 17.589 20.358 -33.075 1.00 37.09 C ATOM 212 OE1 GLU A 12 16.501 20.974 -33.075 1.00 36.81 O ATOM 213 OE2 GLU A 12 18.472 20.529 -33.942 1.00 37.66 O ATOM 0 H GLU A 12 16.310 15.290 -31.615 1.00 36.75 H new ATOM 0 HA GLU A 12 18.589 16.997 -30.904 1.00 36.57 H new ATOM 0 HB2 GLU A 12 17.654 17.632 -33.223 1.00 36.66 H new ATOM 0 HB3 GLU A 12 16.179 18.086 -32.395 1.00 36.66 H new ATOM 0 HG2 GLU A 12 17.427 19.728 -31.036 1.00 36.80 H new ATOM 0 HG3 GLU A 12 18.923 19.255 -31.817 1.00 36.80 H new ATOM 220 N GLN A 13 16.387 16.141 -29.208 1.00 35.29 N ATOM 221 CA GLN A 13 15.576 16.244 -27.996 1.00 34.52 C ATOM 222 C GLN A 13 14.150 16.680 -28.319 1.00 33.80 C ATOM 223 O GLN A 13 13.917 17.423 -29.275 1.00 33.55 O ATOM 224 CB GLN A 13 16.213 17.219 -27.001 1.00 34.48 C ATOM 225 CG GLN A 13 17.595 16.792 -26.531 1.00 34.78 C ATOM 226 CD GLN A 13 17.574 15.482 -25.765 1.00 34.84 C ATOM 227 OE1 GLN A 13 18.536 14.714 -25.802 1.00 35.11 O ATOM 228 NE2 GLN A 13 16.478 15.220 -25.061 1.00 34.65 N ATOM 0 H GLN A 13 16.696 15.193 -29.424 1.00 35.29 H new ATOM 0 HA GLN A 13 15.534 15.254 -27.541 1.00 34.52 H new ATOM 0 HB2 GLN A 13 16.284 18.203 -27.464 1.00 34.48 H new ATOM 0 HB3 GLN A 13 15.559 17.320 -26.135 1.00 34.48 H new ATOM 0 HG2 GLN A 13 18.253 16.693 -27.394 1.00 34.78 H new ATOM 0 HG3 GLN A 13 18.016 17.572 -25.897 1.00 34.78 H new ATOM 0 HE21 GLN A 13 15.703 15.884 -25.057 1.00 34.65 H new ATOM 0 HE22 GLN A 13 16.411 14.355 -24.524 1.00 34.65 H new ATOM 237 N GLY A 14 13.197 16.213 -27.518 1.00 33.56 N ATOM 238 CA GLY A 14 11.806 16.563 -27.737 1.00 32.95 C ATOM 239 C GLY A 14 11.024 16.687 -26.445 1.00 32.45 C ATOM 240 O GLY A 14 11.405 17.442 -25.550 1.00 32.69 O ATOM 0 H GLY A 14 13.364 15.598 -26.721 1.00 33.56 H new ATOM 0 HA2 GLY A 14 11.754 17.507 -28.280 1.00 32.95 H new ATOM 0 HA3 GLY A 14 11.340 15.806 -28.368 1.00 32.95 H new ATOM 244 N GLY A 15 9.925 15.942 -26.348 1.00 31.82 N ATOM 245 CA GLY A 15 9.100 15.986 -25.155 1.00 31.37 C ATOM 246 C GLY A 15 7.882 16.871 -25.333 1.00 30.43 C ATOM 247 O GLY A 15 7.272 17.304 -24.355 1.00 29.95 O ATOM 0 H GLY A 15 9.592 15.309 -27.075 1.00 31.82 H new ATOM 0 HA2 GLY A 15 8.779 14.976 -24.900 1.00 31.37 H new ATOM 0 HA3 GLY A 15 9.694 16.353 -24.318 1.00 31.37 H new ATOM 251 N ALA A 16 7.529 17.140 -26.586 1.00 30.22 N ATOM 252 CA ALA A 16 6.379 17.982 -26.896 1.00 29.40 C ATOM 253 C ALA A 16 5.072 17.227 -26.691 1.00 28.56 C ATOM 254 O ALA A 16 5.028 16.001 -26.796 1.00 28.55 O ATOM 255 CB ALA A 16 6.475 18.497 -28.325 1.00 29.57 C ATOM 0 H ALA A 16 8.024 16.786 -27.405 1.00 30.22 H new ATOM 0 HA ALA A 16 6.387 18.831 -26.212 1.00 29.40 H new ATOM 0 HB1 ALA A 16 5.611 19.124 -28.545 1.00 29.57 H new ATOM 0 HB2 ALA A 16 7.387 19.083 -28.440 1.00 29.57 H new ATOM 0 HB3 ALA A 16 6.496 17.654 -29.015 1.00 29.57 H new ATOM 261 N HIS A 17 4.008 17.974 -26.390 1.00 27.93 N ATOM 262 CA HIS A 17 2.686 17.392 -26.165 1.00 27.15 C ATOM 263 C HIS A 17 2.683 16.496 -24.930 1.00 26.44 C ATOM 264 O HIS A 17 3.245 15.401 -24.941 1.00 26.63 O ATOM 265 CB HIS A 17 2.231 16.597 -27.393 1.00 27.33 C ATOM 266 CG HIS A 17 2.124 17.427 -28.635 1.00 27.68 C ATOM 267 ND1 HIS A 17 3.209 17.748 -29.423 1.00 28.22 N ATOM 268 CD2 HIS A 17 1.050 18.003 -29.225 1.00 27.66 C ATOM 269 CE1 HIS A 17 2.808 18.487 -30.442 1.00 28.51 C ATOM 270 NE2 HIS A 17 1.502 18.655 -30.345 1.00 28.19 N ATOM 0 H HIS A 17 4.038 18.989 -26.296 1.00 27.93 H new ATOM 0 HA HIS A 17 1.986 18.210 -25.996 1.00 27.15 H new ATOM 0 HB2 HIS A 17 2.933 15.782 -27.569 1.00 27.33 H new ATOM 0 HB3 HIS A 17 1.262 16.143 -27.184 1.00 27.33 H new ATOM 0 HD2 HIS A 17 0.028 17.958 -28.879 1.00 27.66 H new ATOM 0 HE1 HIS A 17 3.441 18.886 -31.221 1.00 28.51 H new ATOM 0 HE2 HIS A 17 0.923 19.184 -30.997 1.00 28.19 H new ATOM 279 N PHE A 18 2.045 16.972 -23.866 1.00 25.71 N ATOM 280 CA PHE A 18 1.966 16.220 -22.619 1.00 25.05 C ATOM 281 C PHE A 18 0.771 15.272 -22.627 1.00 24.04 C ATOM 282 O PHE A 18 -0.276 15.581 -23.199 1.00 24.10 O ATOM 283 CB PHE A 18 1.868 17.179 -21.431 1.00 24.71 C ATOM 284 CG PHE A 18 1.892 16.492 -20.095 1.00 25.18 C ATOM 285 CD1 PHE A 18 3.086 16.042 -19.555 1.00 25.75 C ATOM 286 CD2 PHE A 18 0.723 16.300 -19.377 1.00 25.14 C ATOM 287 CE1 PHE A 18 3.113 15.412 -18.324 1.00 26.27 C ATOM 288 CE2 PHE A 18 0.742 15.672 -18.148 1.00 25.67 C ATOM 289 CZ PHE A 18 1.938 15.227 -17.620 1.00 26.23 C ATOM 0 H PHE A 18 1.574 17.877 -23.842 1.00 25.71 H new ATOM 0 HA PHE A 18 2.874 15.624 -22.523 1.00 25.05 H new ATOM 0 HB2 PHE A 18 2.694 17.889 -21.479 1.00 24.71 H new ATOM 0 HB3 PHE A 18 0.947 17.756 -21.516 1.00 24.71 H new ATOM 0 HD1 PHE A 18 4.006 16.185 -20.102 1.00 25.75 H new ATOM 0 HD2 PHE A 18 -0.215 16.646 -19.784 1.00 25.14 H new ATOM 0 HE1 PHE A 18 4.050 15.065 -17.914 1.00 26.27 H new ATOM 0 HE2 PHE A 18 -0.177 15.529 -17.600 1.00 25.67 H new ATOM 0 HZ PHE A 18 1.955 14.735 -16.659 1.00 26.23 H new ATOM 299 N SER A 19 0.932 14.116 -21.991 1.00 23.20 N ATOM 300 CA SER A 19 -0.132 13.121 -21.923 1.00 22.24 C ATOM 301 C SER A 19 -1.149 13.483 -20.845 1.00 21.39 C ATOM 302 O SER A 19 -0.830 13.492 -19.657 1.00 21.01 O ATOM 303 CB SER A 19 0.455 11.737 -21.643 1.00 21.81 C ATOM 304 OG SER A 19 1.175 11.725 -20.422 1.00 21.62 O ATOM 0 H SER A 19 1.792 13.845 -21.514 1.00 23.20 H new ATOM 0 HA SER A 19 -0.642 13.104 -22.886 1.00 22.24 H new ATOM 0 HB2 SER A 19 -0.347 11.000 -21.603 1.00 21.81 H new ATOM 0 HB3 SER A 19 1.115 11.446 -22.461 1.00 21.81 H new ATOM 0 HG SER A 19 0.761 12.351 -19.792 1.00 21.62 H new ATOM 310 N VAL A 20 -2.373 13.777 -21.268 1.00 21.20 N ATOM 311 CA VAL A 20 -3.438 14.140 -20.339 1.00 20.51 C ATOM 312 C VAL A 20 -4.277 12.923 -19.963 1.00 19.53 C ATOM 313 O VAL A 20 -4.556 12.066 -20.801 1.00 19.54 O ATOM 314 CB VAL A 20 -4.358 15.222 -20.935 1.00 21.01 C ATOM 315 CG1 VAL A 20 -5.390 15.673 -19.913 1.00 21.23 C ATOM 316 CG2 VAL A 20 -3.540 16.403 -21.434 1.00 21.60 C ATOM 0 H VAL A 20 -2.653 13.771 -22.249 1.00 21.20 H new ATOM 0 HA VAL A 20 -2.957 14.536 -19.444 1.00 20.51 H new ATOM 0 HB VAL A 20 -4.889 14.791 -21.784 1.00 21.01 H new ATOM 0 HG11 VAL A 20 -6.029 16.437 -20.355 1.00 21.23 H new ATOM 0 HG12 VAL A 20 -5.999 14.821 -19.610 1.00 21.23 H new ATOM 0 HG13 VAL A 20 -4.882 16.084 -19.040 1.00 21.23 H new ATOM 0 HG21 VAL A 20 -4.207 17.157 -21.852 1.00 21.60 H new ATOM 0 HG22 VAL A 20 -2.979 16.834 -20.604 1.00 21.60 H new ATOM 0 HG23 VAL A 20 -2.846 16.066 -22.204 1.00 21.60 H new ATOM 326 N SER A 21 -4.673 12.855 -18.695 1.00 18.78 N ATOM 327 CA SER A 21 -5.483 11.746 -18.203 1.00 17.88 C ATOM 328 C SER A 21 -6.752 12.260 -17.531 1.00 17.66 C ATOM 329 O SER A 21 -7.864 11.914 -17.936 1.00 17.71 O ATOM 330 CB SER A 21 -4.678 10.898 -17.216 1.00 17.04 C ATOM 331 OG SER A 21 -3.523 10.357 -17.834 1.00 17.27 O ATOM 0 H SER A 21 -4.446 13.556 -17.989 1.00 18.78 H new ATOM 0 HA SER A 21 -5.767 11.128 -19.055 1.00 17.88 H new ATOM 0 HB2 SER A 21 -4.385 11.508 -16.361 1.00 17.04 H new ATOM 0 HB3 SER A 21 -5.301 10.090 -16.832 1.00 17.04 H new ATOM 0 HG SER A 21 -3.024 9.821 -17.183 1.00 17.27 H new ATOM 337 N SER A 22 -6.576 13.084 -16.501 1.00 17.52 N ATOM 338 CA SER A 22 -7.701 13.657 -15.765 1.00 17.46 C ATOM 339 C SER A 22 -8.578 12.570 -15.149 1.00 16.36 C ATOM 340 O SER A 22 -9.696 12.838 -14.709 1.00 16.16 O ATOM 341 CB SER A 22 -8.543 14.547 -16.684 1.00 18.42 C ATOM 342 OG SER A 22 -7.772 15.618 -17.203 1.00 18.99 O ATOM 0 H SER A 22 -5.660 13.371 -16.155 1.00 17.52 H new ATOM 0 HA SER A 22 -7.291 14.262 -14.956 1.00 17.46 H new ATOM 0 HB2 SER A 22 -8.944 13.952 -17.505 1.00 18.42 H new ATOM 0 HB3 SER A 22 -9.395 14.943 -16.131 1.00 18.42 H new ATOM 0 HG SER A 22 -8.332 16.171 -17.788 1.00 18.99 H new ATOM 348 N LEU A 23 -8.064 11.344 -15.113 1.00 15.75 N ATOM 349 CA LEU A 23 -8.803 10.223 -14.544 1.00 14.76 C ATOM 350 C LEU A 23 -8.412 9.996 -13.089 1.00 13.81 C ATOM 351 O LEU A 23 -8.898 9.067 -12.442 1.00 13.33 O ATOM 352 CB LEU A 23 -8.555 8.949 -15.356 1.00 14.64 C ATOM 353 CG LEU A 23 -9.123 8.961 -16.776 1.00 14.40 C ATOM 354 CD1 LEU A 23 -8.677 7.725 -17.540 1.00 14.22 C ATOM 355 CD2 LEU A 23 -10.642 9.041 -16.736 1.00 14.69 C ATOM 0 H LEU A 23 -7.140 11.102 -15.471 1.00 15.75 H new ATOM 0 HA LEU A 23 -9.865 10.467 -14.583 1.00 14.76 H new ATOM 0 HB2 LEU A 23 -7.480 8.777 -15.413 1.00 14.64 H new ATOM 0 HB3 LEU A 23 -8.985 8.104 -14.817 1.00 14.64 H new ATOM 0 HG LEU A 23 -8.741 9.841 -17.294 1.00 14.40 H new ATOM 0 HD11 LEU A 23 -9.091 7.751 -18.548 1.00 14.22 H new ATOM 0 HD12 LEU A 23 -7.589 7.704 -17.595 1.00 14.22 H new ATOM 0 HD13 LEU A 23 -9.031 6.832 -17.025 1.00 14.22 H new ATOM 0 HD21 LEU A 23 -11.033 9.049 -17.753 1.00 14.69 H new ATOM 0 HD22 LEU A 23 -11.038 8.177 -16.202 1.00 14.69 H new ATOM 0 HD23 LEU A 23 -10.945 9.954 -16.224 1.00 14.69 H new ATOM 367 N ALA A 24 -7.531 10.851 -12.579 1.00 13.66 N ATOM 368 CA ALA A 24 -7.074 10.749 -11.199 1.00 12.88 C ATOM 369 C ALA A 24 -7.693 11.844 -10.336 1.00 13.35 C ATOM 370 O ALA A 24 -7.352 11.989 -9.162 1.00 13.68 O ATOM 371 CB ALA A 24 -5.556 10.820 -11.140 1.00 12.68 C ATOM 0 H ALA A 24 -7.119 11.623 -13.103 1.00 13.66 H new ATOM 0 HA ALA A 24 -7.396 9.786 -10.804 1.00 12.88 H new ATOM 0 HB1 ALA A 24 -5.228 10.743 -10.103 1.00 12.68 H new ATOM 0 HB2 ALA A 24 -5.131 9.999 -11.717 1.00 12.68 H new ATOM 0 HB3 ALA A 24 -5.220 11.769 -11.557 1.00 12.68 H new ATOM 377 N GLU A 25 -8.603 12.612 -10.928 1.00 13.54 N ATOM 378 CA GLU A 25 -9.271 13.694 -10.215 1.00 14.15 C ATOM 379 C GLU A 25 -10.738 13.789 -10.626 1.00 14.02 C ATOM 380 O GLU A 25 -11.067 13.697 -11.807 1.00 14.18 O ATOM 381 CB GLU A 25 -8.568 15.024 -10.491 1.00 15.41 C ATOM 382 CG GLU A 25 -9.078 16.171 -9.634 1.00 16.17 C ATOM 383 CD GLU A 25 -8.815 15.957 -8.156 1.00 17.14 C ATOM 384 OE1 GLU A 25 -7.715 16.319 -7.690 1.00 17.82 O ATOM 385 OE2 GLU A 25 -9.712 15.429 -7.464 1.00 17.31 O ATOM 0 H GLU A 25 -8.894 12.504 -11.900 1.00 13.54 H new ATOM 0 HA GLU A 25 -9.222 13.478 -9.148 1.00 14.15 H new ATOM 0 HB2 GLU A 25 -7.498 14.902 -10.321 1.00 15.41 H new ATOM 0 HB3 GLU A 25 -8.696 15.282 -11.542 1.00 15.41 H new ATOM 0 HG2 GLU A 25 -8.602 17.098 -9.953 1.00 16.17 H new ATOM 0 HG3 GLU A 25 -10.149 16.291 -9.795 1.00 16.17 H new ATOM 392 N GLY A 26 -11.613 13.973 -9.641 1.00 13.89 N ATOM 393 CA GLY A 26 -13.034 14.075 -9.922 1.00 13.98 C ATOM 394 C GLY A 26 -13.727 12.728 -9.891 1.00 12.94 C ATOM 395 O GLY A 26 -14.872 12.623 -9.451 1.00 12.80 O ATOM 0 H GLY A 26 -11.364 14.053 -8.655 1.00 13.89 H new ATOM 0 HA2 GLY A 26 -13.499 14.737 -9.192 1.00 13.98 H new ATOM 0 HA3 GLY A 26 -13.176 14.531 -10.902 1.00 13.98 H new ATOM 399 N SER A 27 -13.031 11.697 -10.360 1.00 12.37 N ATOM 400 CA SER A 27 -13.582 10.347 -10.385 1.00 11.49 C ATOM 401 C SER A 27 -13.118 9.548 -9.171 1.00 10.35 C ATOM 402 O SER A 27 -13.733 8.549 -8.801 1.00 9.82 O ATOM 403 CB SER A 27 -13.168 9.630 -11.671 1.00 11.88 C ATOM 404 OG SER A 27 -13.633 10.324 -12.816 1.00 12.02 O ATOM 0 H SER A 27 -12.083 11.771 -10.728 1.00 12.37 H new ATOM 0 HA SER A 27 -14.669 10.423 -10.353 1.00 11.49 H new ATOM 0 HB2 SER A 27 -12.082 9.545 -11.710 1.00 11.88 H new ATOM 0 HB3 SER A 27 -13.567 8.616 -11.670 1.00 11.88 H new ATOM 0 HG SER A 27 -13.353 9.846 -13.624 1.00 12.02 H new ATOM 410 N VAL A 28 -12.026 9.997 -8.558 1.00 10.16 N ATOM 411 CA VAL A 28 -11.476 9.326 -7.385 1.00 9.27 C ATOM 412 C VAL A 28 -12.208 9.747 -6.114 1.00 8.45 C ATOM 413 O VAL A 28 -13.157 10.531 -6.163 1.00 8.35 O ATOM 414 CB VAL A 28 -9.974 9.623 -7.224 1.00 9.59 C ATOM 415 CG1 VAL A 28 -9.193 9.086 -8.412 1.00 9.64 C ATOM 416 CG2 VAL A 28 -9.739 11.117 -7.054 1.00 10.00 C ATOM 0 H VAL A 28 -11.505 10.822 -8.854 1.00 10.16 H new ATOM 0 HA VAL A 28 -11.613 8.256 -7.539 1.00 9.27 H new ATOM 0 HB VAL A 28 -9.618 9.118 -6.326 1.00 9.59 H new ATOM 0 HG11 VAL A 28 -8.133 9.305 -8.280 1.00 9.64 H new ATOM 0 HG12 VAL A 28 -9.334 8.007 -8.483 1.00 9.64 H new ATOM 0 HG13 VAL A 28 -9.550 9.559 -9.326 1.00 9.64 H new ATOM 0 HG21 VAL A 28 -8.672 11.307 -6.942 1.00 10.00 H new ATOM 0 HG22 VAL A 28 -10.111 11.646 -7.931 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -10.266 11.470 -6.167 1.00 10.00 H new ATOM 426 N THR A 29 -11.760 9.221 -4.977 1.00 8.07 N ATOM 427 CA THR A 29 -12.371 9.540 -3.693 1.00 7.43 C ATOM 428 C THR A 29 -11.311 9.830 -2.636 1.00 6.54 C ATOM 429 O THR A 29 -10.123 9.926 -2.945 1.00 6.70 O ATOM 430 CB THR A 29 -13.270 8.391 -3.201 1.00 7.68 C ATOM 431 OG1 THR A 29 -12.511 7.179 -3.109 1.00 7.76 O ATOM 432 CG2 THR A 29 -14.449 8.188 -4.141 1.00 8.66 C ATOM 0 H THR A 29 -10.975 8.572 -4.920 1.00 8.07 H new ATOM 0 HA THR A 29 -12.981 10.431 -3.844 1.00 7.43 H new ATOM 0 HB THR A 29 -13.652 8.654 -2.215 1.00 7.68 H new ATOM 0 HG1 THR A 29 -13.090 6.454 -2.794 1.00 7.76 H new ATOM 0 HG21 THR A 29 -15.071 7.371 -3.774 1.00 8.66 H new ATOM 0 HG22 THR A 29 -15.040 9.102 -4.186 1.00 8.66 H new ATOM 0 HG23 THR A 29 -14.082 7.945 -5.138 1.00 8.66 H new ATOM 440 N SER A 30 -11.750 9.972 -1.389 1.00 5.91 N ATOM 441 CA SER A 30 -10.840 10.251 -0.284 1.00 5.24 C ATOM 442 C SER A 30 -10.347 8.956 0.354 1.00 4.31 C ATOM 443 O SER A 30 -10.899 7.882 0.111 1.00 4.35 O ATOM 444 CB SER A 30 -11.530 11.118 0.766 1.00 5.60 C ATOM 445 OG SER A 30 -12.153 12.243 0.171 1.00 5.98 O ATOM 0 H SER A 30 -12.731 9.898 -1.119 1.00 5.91 H new ATOM 0 HA SER A 30 -9.980 10.790 -0.682 1.00 5.24 H new ATOM 0 HB2 SER A 30 -12.274 10.526 1.299 1.00 5.60 H new ATOM 0 HB3 SER A 30 -10.800 11.451 1.504 1.00 5.60 H new ATOM 0 HG SER A 30 -12.589 12.781 0.865 1.00 5.98 H new ATOM 451 N VAL A 31 -9.306 9.066 1.173 1.00 3.84 N ATOM 452 CA VAL A 31 -8.738 7.905 1.848 1.00 3.07 C ATOM 453 C VAL A 31 -9.350 7.718 3.234 1.00 2.92 C ATOM 454 O VAL A 31 -9.506 6.592 3.707 1.00 3.01 O ATOM 455 CB VAL A 31 -7.207 8.025 1.980 1.00 2.76 C ATOM 456 CG1 VAL A 31 -6.830 9.215 2.849 1.00 2.94 C ATOM 457 CG2 VAL A 31 -6.625 6.737 2.538 1.00 2.93 C ATOM 0 H VAL A 31 -8.839 9.947 1.385 1.00 3.84 H new ATOM 0 HA VAL A 31 -8.973 7.035 1.234 1.00 3.07 H new ATOM 0 HB VAL A 31 -6.786 8.191 0.989 1.00 2.76 H new ATOM 0 HG11 VAL A 31 -5.745 9.279 2.927 1.00 2.94 H new ATOM 0 HG12 VAL A 31 -7.216 10.130 2.400 1.00 2.94 H new ATOM 0 HG13 VAL A 31 -7.259 9.090 3.843 1.00 2.94 H new ATOM 0 HG21 VAL A 31 -5.543 6.835 2.626 1.00 2.93 H new ATOM 0 HG22 VAL A 31 -7.053 6.540 3.521 1.00 2.93 H new ATOM 0 HG23 VAL A 31 -6.861 5.911 1.868 1.00 2.93 H new ATOM 467 N GLY A 32 -9.696 8.829 3.878 1.00 3.31 N ATOM 468 CA GLY A 32 -10.286 8.766 5.202 1.00 3.61 C ATOM 469 C GLY A 32 -9.282 8.373 6.269 1.00 3.34 C ATOM 470 O GLY A 32 -8.497 9.205 6.726 1.00 3.80 O ATOM 0 H GLY A 32 -9.578 9.771 3.506 1.00 3.31 H new ATOM 0 HA2 GLY A 32 -10.715 9.737 5.451 1.00 3.61 H new ATOM 0 HA3 GLY A 32 -11.106 8.047 5.197 1.00 3.61 H new ATOM 474 N SER A 33 -9.306 7.104 6.662 1.00 3.04 N ATOM 475 CA SER A 33 -8.391 6.603 7.682 1.00 3.12 C ATOM 476 C SER A 33 -8.300 5.080 7.636 1.00 2.57 C ATOM 477 O SER A 33 -7.547 4.471 8.395 1.00 3.22 O ATOM 478 CB SER A 33 -8.848 7.054 9.071 1.00 3.93 C ATOM 479 OG SER A 33 -7.960 6.594 10.076 1.00 4.22 O ATOM 0 H SER A 33 -9.948 6.404 6.290 1.00 3.04 H new ATOM 0 HA SER A 33 -7.402 7.014 7.478 1.00 3.12 H new ATOM 0 HB2 SER A 33 -8.905 8.142 9.103 1.00 3.93 H new ATOM 0 HB3 SER A 33 -9.851 6.676 9.267 1.00 3.93 H new ATOM 0 HG SER A 33 -7.565 5.741 9.798 1.00 4.22 H new ATOM 485 N VAL A 34 -9.070 4.475 6.738 1.00 1.73 N ATOM 486 CA VAL A 34 -9.078 3.024 6.592 1.00 1.38 C ATOM 487 C VAL A 34 -8.023 2.573 5.587 1.00 1.36 C ATOM 488 O VAL A 34 -7.540 3.372 4.784 1.00 2.33 O ATOM 489 CB VAL A 34 -10.462 2.517 6.139 1.00 1.43 C ATOM 490 CG1 VAL A 34 -10.585 1.019 6.362 1.00 1.54 C ATOM 491 CG2 VAL A 34 -11.572 3.265 6.864 1.00 2.22 C ATOM 0 H VAL A 34 -9.696 4.967 6.101 1.00 1.73 H new ATOM 0 HA VAL A 34 -8.848 2.599 7.569 1.00 1.38 H new ATOM 0 HB VAL A 34 -10.564 2.710 5.071 1.00 1.43 H new ATOM 0 HG11 VAL A 34 -11.569 0.682 6.036 1.00 1.54 H new ATOM 0 HG12 VAL A 34 -9.816 0.501 5.789 1.00 1.54 H new ATOM 0 HG13 VAL A 34 -10.459 0.797 7.422 1.00 1.54 H new ATOM 0 HG21 VAL A 34 -12.540 2.892 6.530 1.00 2.22 H new ATOM 0 HG22 VAL A 34 -11.474 3.109 7.938 1.00 2.22 H new ATOM 0 HG23 VAL A 34 -11.497 4.330 6.643 1.00 2.22 H new ATOM 501 N ASN A 35 -7.665 1.291 5.640 1.00 0.64 N ATOM 502 CA ASN A 35 -6.667 0.734 4.731 1.00 0.44 C ATOM 503 C ASN A 35 -7.040 1.015 3.280 1.00 0.38 C ATOM 504 O ASN A 35 -8.070 0.548 2.800 1.00 0.46 O ATOM 505 CB ASN A 35 -6.543 -0.774 4.934 1.00 0.48 C ATOM 506 CG ASN A 35 -5.224 -1.321 4.421 1.00 0.47 C ATOM 507 OD1 ASN A 35 -5.119 -1.735 3.266 1.00 1.16 O ATOM 508 ND2 ASN A 35 -4.210 -1.323 5.278 1.00 1.25 N ATOM 0 H ASN A 35 -8.052 0.619 6.303 1.00 0.64 H new ATOM 0 HA ASN A 35 -5.712 1.210 4.953 1.00 0.44 H new ATOM 0 HB2 ASN A 35 -6.640 -1.004 5.995 1.00 0.48 H new ATOM 0 HB3 ASN A 35 -7.365 -1.275 4.422 1.00 0.48 H new ATOM 0 HD21 ASN A 35 -3.298 -1.677 4.989 1.00 1.25 H new ATOM 0 HD22 ASN A 35 -4.343 -0.970 6.226 1.00 1.25 H new ATOM 515 N PRO A 36 -6.212 1.789 2.558 1.00 0.33 N ATOM 516 CA PRO A 36 -6.475 2.108 1.161 1.00 0.40 C ATOM 517 C PRO A 36 -6.033 0.984 0.239 1.00 0.35 C ATOM 518 O PRO A 36 -6.395 0.945 -0.938 1.00 0.48 O ATOM 519 CB PRO A 36 -5.631 3.353 0.933 1.00 0.47 C ATOM 520 CG PRO A 36 -4.461 3.177 1.835 1.00 0.27 C ATOM 521 CD PRO A 36 -4.962 2.417 3.037 1.00 0.30 C ATOM 0 HA PRO A 36 -7.535 2.253 0.952 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.321 3.437 -0.108 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.186 4.259 1.175 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.663 2.629 1.334 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.049 4.142 2.130 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.240 1.670 3.368 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.145 3.080 3.882 1.00 0.30 H new ATOM 529 N ALA A 37 -5.242 0.073 0.789 1.00 0.27 N ATOM 530 CA ALA A 37 -4.734 -1.062 0.038 1.00 0.31 C ATOM 531 C ALA A 37 -5.731 -2.217 0.035 1.00 0.29 C ATOM 532 O ALA A 37 -5.688 -3.080 -0.841 1.00 0.35 O ATOM 533 CB ALA A 37 -3.404 -1.509 0.622 1.00 0.37 C ATOM 0 H ALA A 37 -4.937 0.101 1.762 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.587 -0.752 -0.996 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.026 -2.361 0.056 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.688 -0.689 0.566 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.543 -1.798 1.664 1.00 0.37 H new ATOM 539 N GLU A 38 -6.629 -2.230 1.017 1.00 0.28 N ATOM 540 CA GLU A 38 -7.626 -3.291 1.120 1.00 0.30 C ATOM 541 C GLU A 38 -8.473 -3.363 -0.145 1.00 0.25 C ATOM 542 O GLU A 38 -8.943 -4.436 -0.520 1.00 0.25 O ATOM 543 CB GLU A 38 -8.516 -3.085 2.347 1.00 0.38 C ATOM 544 CG GLU A 38 -9.638 -2.079 2.135 1.00 0.39 C ATOM 545 CD GLU A 38 -10.528 -1.936 3.352 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.501 -2.711 3.470 1.00 1.46 O ATOM 547 OE2 GLU A 38 -10.252 -1.052 4.188 1.00 1.36 O ATOM 0 H GLU A 38 -6.687 -1.522 1.749 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.098 -4.238 1.234 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.950 -4.043 2.633 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.897 -2.753 3.181 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.209 -1.108 1.887 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.242 -2.388 1.282 1.00 0.39 H new ATOM 554 N ASN A 39 -8.679 -2.218 -0.790 1.00 0.28 N ATOM 555 CA ASN A 39 -9.453 -2.175 -2.024 1.00 0.30 C ATOM 556 C ASN A 39 -8.784 -3.072 -3.057 1.00 0.24 C ATOM 557 O ASN A 39 -9.400 -4.000 -3.590 1.00 0.22 O ATOM 558 CB ASN A 39 -9.551 -0.740 -2.548 1.00 0.37 C ATOM 559 CG ASN A 39 -10.725 -0.532 -3.490 1.00 1.22 C ATOM 560 OD1 ASN A 39 -11.294 0.557 -3.552 1.00 2.04 O ATOM 561 ND2 ASN A 39 -11.092 -1.573 -4.228 1.00 2.00 N ATOM 0 H ASN A 39 -8.323 -1.314 -0.480 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.465 -2.531 -1.830 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -9.644 -0.056 -1.704 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -8.627 -0.484 -3.066 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -11.874 -1.487 -4.878 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -10.592 -2.458 -4.145 1.00 2.00 H new ATOM 568 N PHE A 40 -7.513 -2.788 -3.326 1.00 0.23 N ATOM 569 CA PHE A 40 -6.744 -3.590 -4.261 1.00 0.21 C ATOM 570 C PHE A 40 -6.861 -5.052 -3.857 1.00 0.17 C ATOM 571 O PHE A 40 -7.091 -5.928 -4.690 1.00 0.19 O ATOM 572 CB PHE A 40 -5.273 -3.138 -4.264 1.00 0.23 C ATOM 573 CG PHE A 40 -4.280 -4.253 -4.059 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.889 -5.054 -5.118 1.00 1.48 C ATOM 575 CD2 PHE A 40 -3.747 -4.503 -2.805 1.00 1.59 C ATOM 576 CE1 PHE A 40 -2.985 -6.080 -4.933 1.00 2.20 C ATOM 577 CE2 PHE A 40 -2.844 -5.529 -2.614 1.00 2.32 C ATOM 578 CZ PHE A 40 -2.463 -6.318 -3.680 1.00 2.54 C ATOM 0 H PHE A 40 -6.999 -2.011 -2.910 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.133 -3.462 -5.271 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.058 -2.646 -5.213 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.132 -2.394 -3.480 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.297 -4.874 -6.102 1.00 1.48 H new ATOM 0 HD2 PHE A 40 -4.041 -3.888 -1.967 1.00 1.59 H new ATOM 0 HE1 PHE A 40 -2.687 -6.696 -5.769 1.00 2.20 H new ATOM 0 HE2 PHE A 40 -2.436 -5.714 -1.631 1.00 2.32 H new ATOM 0 HZ PHE A 40 -1.756 -7.121 -3.533 1.00 2.54 H new ATOM 588 N ARG A 41 -6.716 -5.294 -2.558 1.00 0.15 N ATOM 589 CA ARG A 41 -6.816 -6.634 -2.011 1.00 0.18 C ATOM 590 C ARG A 41 -8.178 -7.236 -2.328 1.00 0.21 C ATOM 591 O ARG A 41 -8.301 -8.439 -2.561 1.00 0.25 O ATOM 592 CB ARG A 41 -6.609 -6.611 -0.505 1.00 0.24 C ATOM 593 CG ARG A 41 -5.170 -6.387 -0.079 1.00 0.32 C ATOM 594 CD ARG A 41 -5.090 -6.099 1.408 1.00 0.33 C ATOM 595 NE ARG A 41 -3.735 -6.249 1.931 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.445 -6.260 3.231 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.411 -6.132 4.130 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.191 -6.406 3.632 1.00 2.77 N ATOM 0 H ARG A 41 -6.528 -4.571 -1.864 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.039 -7.247 -2.468 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.230 -5.824 -0.076 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -6.957 -7.556 -0.087 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.574 -7.268 -0.316 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.745 -5.554 -0.639 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.440 -5.084 1.598 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.760 -6.773 1.943 1.00 0.33 H new ATOM 0 HE ARG A 41 -2.969 -6.351 1.265 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.379 -6.025 3.827 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -4.186 -6.141 5.125 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.445 -6.510 2.945 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.972 -6.414 4.628 1.00 2.77 H new ATOM 612 N VAL A 42 -9.202 -6.394 -2.326 1.00 0.21 N ATOM 613 CA VAL A 42 -10.550 -6.844 -2.619 1.00 0.24 C ATOM 614 C VAL A 42 -10.637 -7.362 -4.045 1.00 0.20 C ATOM 615 O VAL A 42 -11.131 -8.459 -4.279 1.00 0.26 O ATOM 616 CB VAL A 42 -11.594 -5.725 -2.401 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.872 -6.010 -3.177 1.00 0.35 C ATOM 618 CG2 VAL A 42 -11.901 -5.572 -0.920 1.00 0.35 C ATOM 0 H VAL A 42 -9.122 -5.397 -2.125 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.779 -7.652 -1.925 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.172 -4.791 -2.773 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.589 -5.207 -3.005 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.645 -6.073 -4.241 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.299 -6.955 -2.841 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.638 -4.781 -0.781 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.298 -6.510 -0.532 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -10.987 -5.316 -0.384 1.00 0.35 H new ATOM 628 N LEU A 43 -10.140 -6.583 -4.997 1.00 0.15 N ATOM 629 CA LEU A 43 -10.188 -6.999 -6.392 1.00 0.15 C ATOM 630 C LEU A 43 -9.370 -8.262 -6.629 1.00 0.12 C ATOM 631 O LEU A 43 -9.777 -9.134 -7.398 1.00 0.14 O ATOM 632 CB LEU A 43 -9.711 -5.885 -7.319 1.00 0.16 C ATOM 633 CG LEU A 43 -10.586 -4.636 -7.311 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.994 -3.604 -6.380 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.744 -4.076 -8.716 1.00 0.24 C ATOM 0 H LEU A 43 -9.706 -5.675 -4.833 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.230 -7.219 -6.622 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.697 -5.604 -7.036 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.663 -6.273 -8.337 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.579 -4.904 -6.950 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.622 -2.713 -6.377 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.940 -4.013 -5.371 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.992 -3.340 -6.719 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.372 -3.186 -8.684 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.764 -3.815 -9.116 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -11.209 -4.826 -9.356 1.00 0.24 H new ATOM 647 N VAL A 44 -8.218 -8.368 -5.973 1.00 0.11 N ATOM 648 CA VAL A 44 -7.373 -9.543 -6.144 1.00 0.12 C ATOM 649 C VAL A 44 -8.005 -10.777 -5.500 1.00 0.15 C ATOM 650 O VAL A 44 -7.821 -11.897 -5.976 1.00 0.20 O ATOM 651 CB VAL A 44 -5.957 -9.344 -5.560 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.322 -8.073 -6.093 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.988 -9.326 -4.043 1.00 0.14 C ATOM 0 H VAL A 44 -7.853 -7.666 -5.328 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.283 -9.693 -7.220 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.348 -10.190 -5.878 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.326 -7.957 -5.666 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.247 -8.132 -7.179 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.937 -7.216 -5.818 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.977 -9.184 -3.660 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.623 -8.509 -3.702 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.386 -10.272 -3.676 1.00 0.14 H new ATOM 663 N LYS A 45 -8.758 -10.564 -4.421 1.00 0.19 N ATOM 664 CA LYS A 45 -9.402 -11.666 -3.707 1.00 0.26 C ATOM 665 C LYS A 45 -10.823 -11.916 -4.217 1.00 0.27 C ATOM 666 O LYS A 45 -11.425 -12.945 -3.907 1.00 0.32 O ATOM 667 CB LYS A 45 -9.436 -11.377 -2.202 1.00 0.32 C ATOM 668 CG LYS A 45 -10.501 -10.369 -1.794 1.00 0.34 C ATOM 669 CD LYS A 45 -10.517 -10.150 -0.289 1.00 0.42 C ATOM 670 CE LYS A 45 -9.264 -9.430 0.188 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.300 -9.167 1.653 1.00 0.75 N ATOM 0 H LYS A 45 -8.937 -9.642 -4.023 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.813 -12.564 -3.892 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.608 -12.310 -1.666 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.460 -11.006 -1.891 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.317 -9.420 -2.298 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.480 -10.720 -2.122 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.397 -9.569 -0.015 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.600 -11.111 0.218 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.386 -10.030 -0.052 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.161 -8.487 -0.348 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -8.429 -8.675 1.939 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.123 -8.573 1.879 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -9.373 -10.069 2.166 1.00 0.75 H new ATOM 685 N GLN A 46 -11.354 -10.976 -4.993 1.00 0.26 N ATOM 686 CA GLN A 46 -12.707 -11.106 -5.527 1.00 0.31 C ATOM 687 C GLN A 46 -12.691 -11.329 -7.036 1.00 0.34 C ATOM 688 O GLN A 46 -11.630 -11.446 -7.648 1.00 0.38 O ATOM 689 CB GLN A 46 -13.536 -9.861 -5.201 1.00 0.30 C ATOM 690 CG GLN A 46 -13.715 -9.621 -3.712 1.00 0.30 C ATOM 691 CD GLN A 46 -14.447 -10.755 -3.021 1.00 0.37 C ATOM 692 OE1 GLN A 46 -15.673 -10.744 -2.918 1.00 1.06 O ATOM 693 NE2 GLN A 46 -13.697 -11.740 -2.543 1.00 1.27 N ATOM 0 H GLN A 46 -10.871 -10.120 -5.265 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.162 -11.976 -5.054 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -13.056 -8.989 -5.646 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.517 -9.957 -5.665 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.737 -9.490 -3.249 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.266 -8.693 -3.561 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -12.683 -11.708 -2.651 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -14.134 -12.529 -2.068 1.00 1.27 H new ATOM 702 N LYS A 47 -13.882 -11.383 -7.626 1.00 0.40 N ATOM 703 CA LYS A 47 -14.024 -11.581 -9.064 1.00 0.46 C ATOM 704 C LYS A 47 -13.622 -10.324 -9.824 1.00 0.42 C ATOM 705 O LYS A 47 -13.596 -10.309 -11.055 1.00 0.47 O ATOM 706 CB LYS A 47 -15.474 -11.933 -9.403 1.00 0.52 C ATOM 707 CG LYS A 47 -16.454 -10.824 -9.057 1.00 0.53 C ATOM 708 CD LYS A 47 -17.855 -11.138 -9.559 1.00 0.85 C ATOM 709 CE LYS A 47 -18.857 -10.092 -9.103 1.00 1.64 C ATOM 710 NZ LYS A 47 -18.450 -8.716 -9.504 1.00 2.55 N ATOM 0 H LYS A 47 -14.767 -11.292 -7.127 1.00 0.40 H new ATOM 0 HA LYS A 47 -13.368 -12.399 -9.361 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -15.548 -12.156 -10.467 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.756 -12.839 -8.867 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.477 -10.682 -7.976 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -16.112 -9.886 -9.494 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.850 -11.188 -10.648 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -18.161 -12.119 -9.196 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -19.835 -10.318 -9.527 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.961 -10.138 -8.019 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -19.245 -8.062 -9.358 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -17.641 -8.411 -8.926 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -18.179 -8.713 -10.508 1.00 2.55 H new ATOM 724 N LYS A 48 -13.314 -9.270 -9.078 1.00 0.36 N ATOM 725 CA LYS A 48 -12.922 -7.996 -9.666 1.00 0.40 C ATOM 726 C LYS A 48 -11.611 -8.109 -10.447 1.00 0.53 C ATOM 727 O LYS A 48 -11.233 -9.187 -10.904 1.00 1.19 O ATOM 728 CB LYS A 48 -12.788 -6.938 -8.572 1.00 0.32 C ATOM 729 CG LYS A 48 -13.981 -6.004 -8.470 1.00 0.73 C ATOM 730 CD LYS A 48 -15.174 -6.695 -7.837 1.00 0.46 C ATOM 731 CE LYS A 48 -14.944 -6.932 -6.354 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.094 -7.629 -5.715 1.00 1.46 N ATOM 0 H LYS A 48 -13.329 -9.274 -8.058 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.701 -7.701 -10.369 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.646 -7.437 -7.613 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.891 -6.347 -8.759 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.710 -5.129 -7.879 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.251 -5.647 -9.464 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.067 -6.086 -7.977 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.355 -7.647 -8.337 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.040 -7.525 -6.218 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.777 -5.977 -5.856 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.896 -7.771 -4.704 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.953 -7.052 -5.822 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.238 -8.552 -6.172 1.00 1.46 H new ATOM 746 N ALA A 49 -10.933 -6.973 -10.592 1.00 0.26 N ATOM 747 CA ALA A 49 -9.667 -6.893 -11.314 1.00 0.22 C ATOM 748 C ALA A 49 -8.673 -7.969 -10.892 1.00 0.20 C ATOM 749 O ALA A 49 -8.856 -8.646 -9.880 1.00 0.24 O ATOM 750 CB ALA A 49 -9.041 -5.530 -11.092 1.00 0.21 C ATOM 0 H ALA A 49 -11.247 -6.080 -10.211 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.894 -7.052 -12.368 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.096 -5.472 -11.632 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.716 -4.756 -11.457 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.861 -5.381 -10.027 1.00 0.21 H new ATOM 756 N SER A 50 -7.614 -8.108 -11.683 1.00 0.21 N ATOM 757 CA SER A 50 -6.558 -9.069 -11.402 1.00 0.21 C ATOM 758 C SER A 50 -5.550 -8.458 -10.440 1.00 0.18 C ATOM 759 O SER A 50 -5.637 -7.274 -10.114 1.00 0.19 O ATOM 760 CB SER A 50 -5.860 -9.490 -12.697 1.00 0.25 C ATOM 761 OG SER A 50 -5.587 -8.367 -13.515 1.00 0.27 O ATOM 0 H SER A 50 -7.466 -7.561 -12.531 1.00 0.21 H new ATOM 0 HA SER A 50 -7.000 -9.954 -10.944 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.930 -10.007 -12.461 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.489 -10.196 -13.240 1.00 0.25 H new ATOM 0 HG SER A 50 -5.288 -8.670 -14.398 1.00 0.27 H new ATOM 767 N PHE A 51 -4.594 -9.258 -9.989 1.00 0.19 N ATOM 768 CA PHE A 51 -3.578 -8.774 -9.065 1.00 0.20 C ATOM 769 C PHE A 51 -2.781 -7.631 -9.685 1.00 0.23 C ATOM 770 O PHE A 51 -2.095 -6.889 -8.985 1.00 0.26 O ATOM 771 CB PHE A 51 -2.634 -9.910 -8.664 1.00 0.23 C ATOM 772 CG PHE A 51 -1.742 -9.553 -7.512 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.157 -9.754 -6.207 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.480 -9.029 -7.736 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.332 -9.440 -5.146 1.00 1.05 C ATOM 776 CE2 PHE A 51 0.350 -8.711 -6.681 1.00 0.97 C ATOM 777 CZ PHE A 51 -0.104 -8.864 -5.378 1.00 0.43 C ATOM 0 H PHE A 51 -4.501 -10.241 -10.246 1.00 0.19 H new ATOM 0 HA PHE A 51 -4.083 -8.402 -8.174 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.223 -10.789 -8.401 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -2.019 -10.183 -9.521 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.139 -10.162 -6.017 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -0.141 -8.867 -8.749 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.650 -9.646 -4.135 1.00 1.05 H new ATOM 0 HE2 PHE A 51 1.349 -8.345 -6.868 1.00 0.97 H new ATOM 0 HZ PHE A 51 0.504 -8.532 -4.550 1.00 0.43 H new ATOM 787 N GLU A 52 -2.887 -7.488 -11.001 1.00 0.25 N ATOM 788 CA GLU A 52 -2.158 -6.448 -11.712 1.00 0.28 C ATOM 789 C GLU A 52 -2.907 -5.112 -11.722 1.00 0.25 C ATOM 790 O GLU A 52 -2.360 -4.095 -11.303 1.00 0.28 O ATOM 791 CB GLU A 52 -1.837 -6.926 -13.133 1.00 0.33 C ATOM 792 CG GLU A 52 -2.927 -6.660 -14.160 1.00 0.35 C ATOM 793 CD GLU A 52 -2.591 -7.222 -15.529 1.00 0.43 C ATOM 794 OE1 GLU A 52 -2.934 -8.394 -15.790 1.00 0.83 O ATOM 795 OE2 GLU A 52 -1.987 -6.489 -16.339 1.00 0.80 O ATOM 0 H GLU A 52 -3.470 -8.078 -11.595 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.225 -6.264 -11.180 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.919 -6.441 -13.465 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.639 -7.997 -13.104 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.863 -7.097 -13.812 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -3.088 -5.585 -14.243 1.00 0.35 H new ATOM 802 N GLU A 53 -4.149 -5.113 -12.200 1.00 0.24 N ATOM 803 CA GLU A 53 -4.945 -3.891 -12.245 1.00 0.23 C ATOM 804 C GLU A 53 -5.236 -3.413 -10.836 1.00 0.19 C ATOM 805 O GLU A 53 -5.233 -2.215 -10.556 1.00 0.21 O ATOM 806 CB GLU A 53 -6.252 -4.131 -12.997 1.00 0.27 C ATOM 807 CG GLU A 53 -7.250 -2.996 -12.854 1.00 1.06 C ATOM 808 CD GLU A 53 -8.392 -3.091 -13.847 1.00 1.05 C ATOM 809 OE1 GLU A 53 -8.231 -2.599 -14.984 1.00 1.23 O ATOM 810 OE2 GLU A 53 -9.446 -3.656 -13.488 1.00 1.26 O ATOM 0 H GLU A 53 -4.623 -5.941 -12.559 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.378 -3.124 -12.773 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.032 -4.280 -14.054 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.707 -5.052 -12.634 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.654 -2.998 -11.841 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.734 -2.045 -12.990 1.00 1.06 H new ATOM 817 N ALA A 54 -5.496 -4.366 -9.956 1.00 0.19 N ATOM 818 CA ALA A 54 -5.776 -4.064 -8.568 1.00 0.16 C ATOM 819 C ALA A 54 -4.574 -3.390 -7.923 1.00 0.18 C ATOM 820 O ALA A 54 -4.697 -2.315 -7.329 1.00 0.17 O ATOM 821 CB ALA A 54 -6.149 -5.335 -7.827 1.00 0.16 C ATOM 0 H ALA A 54 -5.518 -5.360 -10.183 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.619 -3.375 -8.515 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.358 -5.100 -6.783 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -7.035 -5.776 -8.284 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.322 -6.043 -7.880 1.00 0.16 H new ATOM 827 N SER A 55 -3.403 -4.013 -8.056 1.00 0.26 N ATOM 828 CA SER A 55 -2.192 -3.445 -7.487 1.00 0.31 C ATOM 829 C SER A 55 -1.894 -2.131 -8.180 1.00 0.33 C ATOM 830 O SER A 55 -1.332 -1.214 -7.586 1.00 0.39 O ATOM 831 CB SER A 55 -1.015 -4.402 -7.643 1.00 0.43 C ATOM 832 OG SER A 55 -0.732 -4.632 -9.011 1.00 1.20 O ATOM 0 H SER A 55 -3.273 -4.898 -8.546 1.00 0.26 H new ATOM 0 HA SER A 55 -2.344 -3.276 -6.421 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.136 -3.988 -7.150 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.241 -5.347 -7.150 1.00 0.43 H new ATOM 0 HG SER A 55 -1.226 -5.420 -9.319 1.00 1.20 H new ATOM 838 N ASN A 56 -2.288 -2.054 -9.445 1.00 0.32 N ATOM 839 CA ASN A 56 -2.089 -0.855 -10.235 1.00 0.35 C ATOM 840 C ASN A 56 -2.886 0.295 -9.640 1.00 0.30 C ATOM 841 O ASN A 56 -2.411 1.426 -9.585 1.00 0.34 O ATOM 842 CB ASN A 56 -2.506 -1.102 -11.690 1.00 0.40 C ATOM 843 CG ASN A 56 -1.361 -1.616 -12.545 1.00 0.49 C ATOM 844 OD1 ASN A 56 -1.568 -2.401 -13.471 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.145 -1.172 -12.243 1.00 1.19 N ATOM 0 H ASN A 56 -2.749 -2.815 -9.944 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.031 -0.592 -10.221 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.324 -1.822 -11.713 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.886 -0.174 -12.118 1.00 0.40 H new ATOM 0 HD21 ASN A 56 0.661 -1.481 -12.787 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.017 -0.522 -11.467 1.00 1.19 H new ATOM 852 N GLN A 57 -4.098 -0.006 -9.185 1.00 0.25 N ATOM 853 CA GLN A 57 -4.948 1.001 -8.570 1.00 0.24 C ATOM 854 C GLN A 57 -4.400 1.351 -7.193 1.00 0.20 C ATOM 855 O GLN A 57 -4.553 2.474 -6.720 1.00 0.19 O ATOM 856 CB GLN A 57 -6.387 0.498 -8.457 1.00 0.27 C ATOM 857 CG GLN A 57 -7.400 1.610 -8.242 1.00 0.85 C ATOM 858 CD GLN A 57 -7.888 1.694 -6.808 1.00 1.10 C ATOM 859 OE1 GLN A 57 -8.844 1.022 -6.425 1.00 1.66 O ATOM 860 NE2 GLN A 57 -7.237 2.532 -6.011 1.00 1.57 N ATOM 0 H GLN A 57 -4.511 -0.938 -9.231 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.951 1.893 -9.196 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.645 -0.048 -9.364 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.453 -0.209 -7.630 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.952 2.563 -8.524 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -8.253 1.451 -8.902 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -6.449 3.070 -6.371 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -7.525 2.638 -5.038 1.00 1.57 H new ATOM 869 N LEU A 58 -3.763 0.371 -6.552 1.00 0.19 N ATOM 870 CA LEU A 58 -3.166 0.583 -5.238 1.00 0.17 C ATOM 871 C LEU A 58 -2.024 1.585 -5.351 1.00 0.17 C ATOM 872 O LEU A 58 -2.032 2.621 -4.686 1.00 0.18 O ATOM 873 CB LEU A 58 -2.640 -0.744 -4.651 1.00 0.19 C ATOM 874 CG LEU A 58 -2.663 -0.876 -3.112 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.539 -1.792 -2.631 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.555 0.486 -2.435 1.00 0.20 C ATOM 0 H LEU A 58 -3.649 -0.573 -6.921 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.933 0.974 -4.569 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.228 -1.560 -5.072 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.613 -0.883 -4.990 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.620 -1.318 -2.835 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.574 -1.871 -1.544 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.663 -2.782 -3.071 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.577 -1.378 -2.934 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.574 0.357 -1.353 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.620 0.964 -2.727 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.393 1.112 -2.741 1.00 0.20 H new ATOM 888 N ILE A 59 -1.051 1.284 -6.209 1.00 0.19 N ATOM 889 CA ILE A 59 0.087 2.173 -6.391 1.00 0.20 C ATOM 890 C ILE A 59 -0.401 3.516 -6.928 1.00 0.18 C ATOM 891 O ILE A 59 0.095 4.573 -6.546 1.00 0.16 O ATOM 892 CB ILE A 59 1.117 1.592 -7.384 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.308 0.091 -7.137 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.431 2.346 -7.277 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.508 -0.719 -8.395 1.00 0.38 C ATOM 0 H ILE A 59 -1.030 0.440 -6.782 1.00 0.19 H new ATOM 0 HA ILE A 59 0.571 2.292 -5.422 1.00 0.20 H new ATOM 0 HB ILE A 59 0.742 1.716 -8.400 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.169 -0.052 -6.484 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.437 -0.293 -6.605 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.149 1.927 -7.982 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.267 3.398 -7.509 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.822 2.254 -6.264 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.636 -1.770 -8.135 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.637 -0.608 -9.041 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.396 -0.365 -8.919 1.00 0.38 H new ATOM 907 N ASN A 60 -1.376 3.450 -7.838 1.00 0.20 N ATOM 908 CA ASN A 60 -1.964 4.646 -8.435 1.00 0.20 C ATOM 909 C ASN A 60 -2.502 5.560 -7.348 1.00 0.17 C ATOM 910 O ASN A 60 -2.241 6.767 -7.339 1.00 0.18 O ATOM 911 CB ASN A 60 -3.086 4.260 -9.397 1.00 0.22 C ATOM 912 CG ASN A 60 -2.586 4.009 -10.805 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.445 3.592 -11.006 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.439 4.264 -11.789 1.00 1.05 N ATOM 0 H ASN A 60 -1.775 2.575 -8.177 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.191 5.175 -8.992 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.584 3.364 -9.027 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.832 5.054 -9.417 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.159 4.115 -12.758 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -4.375 4.609 -11.576 1.00 1.05 H new ATOM 921 N HIS A 61 -3.262 4.978 -6.431 1.00 0.16 N ATOM 922 CA HIS A 61 -3.808 5.732 -5.323 1.00 0.16 C ATOM 923 C HIS A 61 -2.650 6.313 -4.522 1.00 0.13 C ATOM 924 O HIS A 61 -2.703 7.448 -4.033 1.00 0.12 O ATOM 925 CB HIS A 61 -4.691 4.817 -4.471 1.00 0.20 C ATOM 926 CG HIS A 61 -4.379 4.866 -3.019 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.311 4.203 -2.472 1.00 0.23 N ATOM 928 CD2 HIS A 61 -4.986 5.515 -2.005 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.270 4.438 -1.183 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.274 5.235 -0.869 1.00 0.30 N ATOM 0 H HIS A 61 -3.511 3.989 -6.436 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.432 6.553 -5.676 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.735 5.094 -4.619 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.581 3.791 -4.822 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -5.866 6.137 -2.075 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.537 4.045 -0.494 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.485 5.585 0.066 1.00 0.30 H new ATOM 939 N ILE A 62 -1.591 5.517 -4.416 1.00 0.14 N ATOM 940 CA ILE A 62 -0.387 5.929 -3.720 1.00 0.13 C ATOM 941 C ILE A 62 0.267 7.086 -4.459 1.00 0.11 C ATOM 942 O ILE A 62 0.979 7.891 -3.866 1.00 0.12 O ATOM 943 CB ILE A 62 0.606 4.761 -3.599 1.00 0.14 C ATOM 944 CG1 ILE A 62 0.011 3.665 -2.721 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.937 5.243 -3.048 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.092 4.035 -1.258 1.00 0.75 C ATOM 0 H ILE A 62 -1.547 4.576 -4.808 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.665 6.249 -2.716 1.00 0.13 H new ATOM 0 HB ILE A 62 0.790 4.348 -4.591 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -0.983 3.416 -3.093 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.621 2.767 -2.816 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.625 4.401 -2.970 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.357 5.994 -3.717 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.785 5.680 -2.061 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.525 3.203 -0.702 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.902 4.255 -0.867 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.727 4.914 -1.149 1.00 0.75 H new ATOM 958 N GLU A 63 0.028 7.155 -5.767 1.00 0.12 N ATOM 959 CA GLU A 63 0.570 8.234 -6.579 1.00 0.13 C ATOM 960 C GLU A 63 -0.169 9.522 -6.258 1.00 0.12 C ATOM 961 O GLU A 63 0.445 10.577 -6.103 1.00 0.11 O ATOM 962 CB GLU A 63 0.462 7.906 -8.067 1.00 0.17 C ATOM 963 CG GLU A 63 1.396 6.792 -8.499 1.00 0.17 C ATOM 964 CD GLU A 63 1.222 6.412 -9.955 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.687 7.175 -10.827 1.00 0.70 O ATOM 966 OE2 GLU A 63 0.623 5.350 -10.225 1.00 0.80 O ATOM 0 H GLU A 63 -0.535 6.478 -6.282 1.00 0.12 H new ATOM 0 HA GLU A 63 1.628 8.357 -6.346 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.565 7.621 -8.297 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.682 8.802 -8.648 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.427 7.102 -8.330 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.221 5.915 -7.876 1.00 0.17 H new ATOM 973 N GLN A 64 -1.497 9.431 -6.167 1.00 0.14 N ATOM 974 CA GLN A 64 -2.305 10.591 -5.813 1.00 0.14 C ATOM 975 C GLN A 64 -1.777 11.153 -4.501 1.00 0.11 C ATOM 976 O GLN A 64 -1.505 12.354 -4.368 1.00 0.10 O ATOM 977 CB GLN A 64 -3.779 10.206 -5.673 1.00 0.18 C ATOM 978 CG GLN A 64 -4.690 11.383 -5.365 1.00 0.91 C ATOM 979 CD GLN A 64 -6.122 10.962 -5.101 1.00 1.57 C ATOM 980 OE1 GLN A 64 -6.377 9.863 -4.608 1.00 2.40 O ATOM 981 NE2 GLN A 64 -7.066 11.835 -5.429 1.00 2.11 N ATOM 0 H GLN A 64 -2.027 8.575 -6.332 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.236 11.342 -6.600 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.111 9.732 -6.597 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.878 9.464 -4.881 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.306 11.916 -4.495 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.669 12.082 -6.202 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -6.810 12.735 -5.835 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -8.048 11.606 -5.275 1.00 2.11 H new ATOM 990 N PHE A 65 -1.626 10.264 -3.522 1.00 0.11 N ATOM 991 CA PHE A 65 -1.082 10.667 -2.242 1.00 0.11 C ATOM 992 C PHE A 65 0.306 11.267 -2.466 1.00 0.10 C ATOM 993 O PHE A 65 0.585 12.384 -2.045 1.00 0.12 O ATOM 994 CB PHE A 65 -0.991 9.476 -1.276 1.00 0.14 C ATOM 995 CG PHE A 65 0.354 9.361 -0.627 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.825 10.364 0.209 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.163 8.278 -0.890 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.079 10.278 0.769 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.419 8.190 -0.338 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.877 9.191 0.490 1.00 0.16 C ATOM 0 H PHE A 65 -1.870 9.276 -3.594 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.744 11.407 -1.792 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.754 9.579 -0.505 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.208 8.556 -1.818 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.202 11.220 0.422 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.807 7.490 -1.537 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.436 11.059 1.424 1.00 0.18 H new ATOM 0 HE2 PHE A 65 3.046 7.337 -0.553 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.865 9.123 0.922 1.00 0.16 H new ATOM 1010 N LEU A 66 1.174 10.508 -3.131 1.00 0.09 N ATOM 1011 CA LEU A 66 2.530 10.964 -3.396 1.00 0.10 C ATOM 1012 C LEU A 66 2.503 12.305 -4.112 1.00 0.11 C ATOM 1013 O LEU A 66 3.499 13.024 -4.146 1.00 0.17 O ATOM 1014 CB LEU A 66 3.315 9.914 -4.191 1.00 0.11 C ATOM 1015 CG LEU A 66 3.876 8.761 -3.344 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.558 7.726 -4.223 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.845 9.284 -2.285 1.00 0.08 C ATOM 0 H LEU A 66 0.961 9.579 -3.494 1.00 0.09 H new ATOM 0 HA LEU A 66 3.045 11.101 -2.445 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.665 9.499 -4.961 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.141 10.407 -4.703 1.00 0.11 H new ATOM 0 HG LEU A 66 3.039 8.282 -2.836 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.947 6.920 -3.601 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.838 7.321 -4.934 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.379 8.194 -4.766 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.228 8.449 -1.699 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.675 9.796 -2.772 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.324 9.980 -1.628 1.00 0.08 H new ATOM 1029 N ASP A 67 1.354 12.636 -4.690 1.00 0.09 N ATOM 1030 CA ASP A 67 1.194 13.918 -5.348 1.00 0.10 C ATOM 1031 C ASP A 67 1.004 14.976 -4.273 1.00 0.11 C ATOM 1032 O ASP A 67 1.545 16.078 -4.365 1.00 0.13 O ATOM 1033 CB ASP A 67 0.011 13.903 -6.312 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.035 15.137 -7.191 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.595 16.163 -6.749 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.490 15.079 -8.324 1.00 0.18 O ATOM 0 H ASP A 67 0.529 12.037 -4.714 1.00 0.09 H new ATOM 0 HA ASP A 67 2.080 14.140 -5.942 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.070 13.015 -6.941 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.916 13.831 -5.744 1.00 0.11 H new ATOM 1041 N THR A 68 0.222 14.627 -3.245 1.00 0.10 N ATOM 1042 CA THR A 68 0.000 15.536 -2.118 1.00 0.12 C ATOM 1043 C THR A 68 1.310 15.757 -1.363 1.00 0.13 C ATOM 1044 O THR A 68 2.353 15.220 -1.741 1.00 0.13 O ATOM 1045 CB THR A 68 -1.077 15.012 -1.131 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.676 16.113 -0.439 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.493 14.044 -0.109 1.00 0.13 C ATOM 0 H THR A 68 -0.262 13.732 -3.171 1.00 0.10 H new ATOM 0 HA THR A 68 -0.364 16.475 -2.534 1.00 0.12 H new ATOM 0 HB THR A 68 -1.824 14.478 -1.718 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.356 15.778 0.182 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.282 13.703 0.561 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.060 13.187 -0.625 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.281 14.549 0.469 1.00 0.13 H new ATOM 1055 N ASN A 69 1.255 16.543 -0.295 1.00 0.15 N ATOM 1056 CA ASN A 69 2.443 16.828 0.505 1.00 0.17 C ATOM 1057 C ASN A 69 2.326 16.233 1.908 1.00 0.18 C ATOM 1058 O ASN A 69 3.206 16.421 2.749 1.00 0.20 O ATOM 1059 CB ASN A 69 2.655 18.335 0.591 1.00 0.19 C ATOM 1060 CG ASN A 69 3.258 18.906 -0.677 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.542 19.327 -1.585 1.00 0.91 O ATOM 1062 ND2 ASN A 69 4.585 18.916 -0.748 1.00 1.16 N ATOM 0 H ASN A 69 0.403 16.994 0.038 1.00 0.15 H new ATOM 0 HA ASN A 69 3.301 16.366 0.017 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.700 18.823 0.788 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.308 18.560 1.434 1.00 0.19 H new ATOM 0 HD21 ASN A 69 5.048 19.283 -1.579 1.00 1.16 H new ATOM 0 HD22 ASN A 69 5.140 18.557 0.029 1.00 1.16 H new ATOM 1069 N GLU A 70 1.237 15.516 2.147 1.00 0.17 N ATOM 1070 CA GLU A 70 0.989 14.890 3.443 1.00 0.19 C ATOM 1071 C GLU A 70 1.776 13.588 3.576 1.00 0.17 C ATOM 1072 O GLU A 70 1.789 12.770 2.656 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.507 14.603 3.596 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.397 15.698 3.029 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.605 16.843 4.000 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.543 16.762 4.821 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -0.830 17.820 3.941 1.00 0.73 O ATOM 0 H GLU A 70 0.505 15.351 1.456 1.00 0.17 H new ATOM 0 HA GLU A 70 1.316 15.574 4.226 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.741 13.662 3.098 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.737 14.470 4.653 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.953 16.082 2.110 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.365 15.273 2.762 1.00 0.22 H new ATOM 1084 N THR A 71 2.432 13.392 4.722 1.00 0.12 N ATOM 1085 CA THR A 71 3.206 12.174 4.946 1.00 0.10 C ATOM 1086 C THR A 71 2.478 11.127 5.799 1.00 0.13 C ATOM 1087 O THR A 71 2.942 9.999 5.871 1.00 0.13 O ATOM 1088 CB THR A 71 4.576 12.445 5.583 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.427 13.238 6.766 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.497 13.147 4.597 1.00 0.11 C ATOM 0 H THR A 71 2.442 14.053 5.499 1.00 0.12 H new ATOM 0 HA THR A 71 3.343 11.771 3.943 1.00 0.10 H new ATOM 0 HB THR A 71 5.022 11.488 5.854 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.308 13.402 7.163 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.463 13.330 5.068 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.636 12.518 3.718 1.00 0.11 H new ATOM 0 HG23 THR A 71 5.054 14.097 4.298 1.00 0.11 H new ATOM 1098 N PRO A 72 1.360 11.437 6.491 1.00 0.17 N ATOM 1099 CA PRO A 72 0.663 10.407 7.256 1.00 0.23 C ATOM 1100 C PRO A 72 0.440 9.196 6.372 1.00 0.17 C ATOM 1101 O PRO A 72 0.362 8.055 6.829 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.676 11.050 7.596 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.408 12.510 7.591 1.00 0.32 C ATOM 1104 CD PRO A 72 0.696 12.749 6.595 1.00 0.18 C ATOM 0 HA PRO A 72 1.211 10.079 8.139 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.439 10.785 6.864 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.039 10.718 8.569 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.304 13.066 7.315 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.114 12.852 8.583 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.303 13.077 5.632 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.385 13.521 6.938 1.00 0.18 H new ATOM 1112 N TYR A 73 0.346 9.497 5.085 1.00 0.16 N ATOM 1113 CA TYR A 73 0.119 8.516 4.044 1.00 0.16 C ATOM 1114 C TYR A 73 1.426 7.916 3.497 1.00 0.13 C ATOM 1115 O TYR A 73 1.385 6.891 2.828 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.680 9.184 2.920 1.00 0.18 C ATOM 1117 CG TYR A 73 -1.883 9.965 3.415 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.628 9.514 4.499 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.273 11.151 2.802 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.725 10.221 4.956 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.368 11.864 3.256 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.093 11.400 4.316 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.181 12.101 4.783 1.00 0.50 O ATOM 0 H TYR A 73 0.428 10.451 4.732 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.439 7.683 4.471 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.023 9.856 2.367 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.016 8.419 2.220 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.345 8.596 4.992 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.711 11.522 1.957 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.291 9.861 5.802 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.649 12.788 2.772 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.313 12.903 4.235 1.00 0.50 H new ATOM 1133 N PHE A 74 2.579 8.559 3.751 1.00 0.11 N ATOM 1134 CA PHE A 74 3.858 8.043 3.236 1.00 0.10 C ATOM 1135 C PHE A 74 4.286 6.762 3.955 1.00 0.09 C ATOM 1136 O PHE A 74 4.791 5.827 3.325 1.00 0.08 O ATOM 1137 CB PHE A 74 4.949 9.149 3.190 1.00 0.11 C ATOM 1138 CG PHE A 74 5.854 9.354 4.389 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.389 9.001 5.649 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.141 9.848 4.284 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.184 9.139 6.768 1.00 0.75 C ATOM 1142 CE2 PHE A 74 7.942 9.993 5.403 1.00 0.73 C ATOM 1143 CZ PHE A 74 7.568 9.825 6.534 1.00 0.17 C ATOM 0 H PHE A 74 2.652 9.417 4.297 1.00 0.11 H new ATOM 0 HA PHE A 74 3.710 7.747 2.197 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.587 8.943 2.330 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.446 10.096 2.994 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.387 8.612 5.755 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.527 10.125 3.314 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.870 8.795 7.742 1.00 0.75 H new ATOM 0 HE2 PHE A 74 8.973 10.276 5.251 1.00 0.73 H new ATOM 0 HZ PHE A 74 8.175 10.141 7.369 1.00 0.17 H new ATOM 1153 N MET A 75 4.057 6.693 5.253 1.00 0.09 N ATOM 1154 CA MET A 75 4.375 5.483 5.988 1.00 0.09 C ATOM 1155 C MET A 75 3.266 4.494 5.694 1.00 0.09 C ATOM 1156 O MET A 75 3.482 3.286 5.591 1.00 0.11 O ATOM 1157 CB MET A 75 4.494 5.748 7.492 1.00 0.14 C ATOM 1158 CG MET A 75 3.956 7.096 7.933 1.00 0.30 C ATOM 1159 SD MET A 75 3.283 7.068 9.605 1.00 0.52 S ATOM 1160 CE MET A 75 4.720 6.553 10.543 1.00 1.81 C ATOM 0 H MET A 75 3.659 7.447 5.813 1.00 0.09 H new ATOM 0 HA MET A 75 5.343 5.091 5.676 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.962 4.964 8.030 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.543 5.677 7.780 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.755 7.836 7.880 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.179 7.416 7.239 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.510 6.643 11.609 1.00 1.81 H new ATOM 0 HE2 MET A 75 4.957 5.516 10.306 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.569 7.187 10.286 1.00 1.81 H new ATOM 1170 N LYS A 76 2.069 5.043 5.537 1.00 0.09 N ATOM 1171 CA LYS A 76 0.910 4.253 5.188 1.00 0.10 C ATOM 1172 C LYS A 76 1.105 3.743 3.769 1.00 0.10 C ATOM 1173 O LYS A 76 0.546 2.718 3.372 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.353 5.100 5.301 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.626 4.360 4.936 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.451 5.141 3.928 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.666 5.406 2.654 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.520 5.982 1.579 1.00 0.96 N ATOM 0 H LYS A 76 1.881 6.039 5.648 1.00 0.09 H new ATOM 0 HA LYS A 76 0.798 3.409 5.868 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.440 5.470 6.323 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.253 5.971 4.654 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.375 3.383 4.524 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.217 4.185 5.835 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.358 4.585 3.689 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.764 6.088 4.368 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.845 6.090 2.870 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.221 4.475 2.303 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -1.920 6.468 0.882 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.048 5.219 1.109 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -3.189 6.661 1.994 1.00 0.96 H new ATOM 1192 N SER A 77 1.913 4.481 3.001 1.00 0.09 N ATOM 1193 CA SER A 77 2.237 4.083 1.642 1.00 0.09 C ATOM 1194 C SER A 77 3.087 2.843 1.745 1.00 0.08 C ATOM 1195 O SER A 77 2.828 1.840 1.088 1.00 0.09 O ATOM 1196 CB SER A 77 3.003 5.175 0.893 1.00 0.10 C ATOM 1197 OG SER A 77 4.399 5.021 1.055 1.00 0.10 O ATOM 0 H SER A 77 2.349 5.352 3.302 1.00 0.09 H new ATOM 0 HA SER A 77 1.320 3.903 1.082 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.751 5.139 -0.167 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.697 6.155 1.260 1.00 0.10 H new ATOM 0 HG SER A 77 4.689 5.494 1.863 1.00 0.10 H new ATOM 1203 N ILE A 78 4.114 2.926 2.593 1.00 0.09 N ATOM 1204 CA ILE A 78 4.976 1.785 2.830 1.00 0.09 C ATOM 1205 C ILE A 78 4.095 0.593 3.168 1.00 0.11 C ATOM 1206 O ILE A 78 4.355 -0.533 2.749 1.00 0.12 O ATOM 1207 CB ILE A 78 5.984 2.049 3.984 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.391 1.669 3.549 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.606 1.284 5.245 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.897 2.518 2.417 1.00 0.13 C ATOM 0 H ILE A 78 4.361 3.765 3.118 1.00 0.09 H new ATOM 0 HA ILE A 78 5.565 1.591 1.933 1.00 0.09 H new ATOM 0 HB ILE A 78 5.951 3.114 4.215 1.00 0.08 H new ATOM 0 HG12 ILE A 78 8.067 1.763 4.399 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.403 0.622 3.246 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.333 1.493 6.029 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.615 1.595 5.576 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.598 0.215 5.033 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.905 2.203 2.148 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.239 2.405 1.555 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.914 3.563 2.726 1.00 0.13 H new ATOM 1222 N ASP A 79 3.031 0.878 3.915 1.00 0.11 N ATOM 1223 CA ASP A 79 2.077 -0.142 4.315 1.00 0.13 C ATOM 1224 C ASP A 79 1.340 -0.709 3.103 1.00 0.13 C ATOM 1225 O ASP A 79 1.081 -1.910 3.036 1.00 0.16 O ATOM 1226 CB ASP A 79 1.086 0.434 5.330 1.00 0.13 C ATOM 1227 CG ASP A 79 1.573 0.294 6.758 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.276 -0.743 7.388 1.00 0.69 O ATOM 1229 OD2 ASP A 79 2.252 1.222 7.247 1.00 0.68 O ATOM 0 H ASP A 79 2.811 1.814 4.255 1.00 0.11 H new ATOM 0 HA ASP A 79 2.624 -0.960 4.784 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.915 1.488 5.109 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.127 -0.073 5.225 1.00 0.13 H new ATOM 1234 N CYS A 80 0.981 0.153 2.151 1.00 0.14 N ATOM 1235 CA CYS A 80 0.305 -0.309 0.942 1.00 0.16 C ATOM 1236 C CYS A 80 1.214 -1.296 0.231 1.00 0.14 C ATOM 1237 O CYS A 80 0.783 -2.365 -0.222 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.015 0.851 0.004 1.00 0.23 C ATOM 1239 SG CYS A 80 1.288 1.186 -1.205 1.00 0.65 S ATOM 0 H CYS A 80 1.144 1.159 2.193 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.636 -0.781 1.224 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -0.943 0.634 -0.525 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.189 1.749 0.597 1.00 0.23 H new ATOM 0 HG CYS A 80 2.178 1.973 -0.677 1.00 0.65 H new ATOM 1245 N ILE A 81 2.486 -0.913 0.122 1.00 0.16 N ATOM 1246 CA ILE A 81 3.478 -1.767 -0.488 1.00 0.17 C ATOM 1247 C ILE A 81 3.449 -3.091 0.261 1.00 0.17 C ATOM 1248 O ILE A 81 3.517 -4.167 -0.321 1.00 0.19 O ATOM 1249 CB ILE A 81 4.898 -1.173 -0.366 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.147 -0.109 -1.431 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.949 -2.265 -0.446 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.895 1.295 -0.938 1.00 0.32 C ATOM 0 H ILE A 81 2.843 -0.016 0.451 1.00 0.16 H new ATOM 0 HA ILE A 81 3.250 -1.880 -1.548 1.00 0.17 H new ATOM 0 HB ILE A 81 4.973 -0.694 0.610 1.00 0.18 H new ATOM 0 HG12 ILE A 81 6.177 -0.186 -1.778 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.505 -0.306 -2.290 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.941 -1.822 -0.358 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.796 -2.977 0.365 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.866 -2.781 -1.403 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.090 2.004 -1.743 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.857 1.387 -0.617 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.555 1.510 -0.098 1.00 0.32 H new ATOM 1264 N ARG A 82 3.354 -2.969 1.581 1.00 0.18 N ATOM 1265 CA ARG A 82 3.294 -4.115 2.471 1.00 0.20 C ATOM 1266 C ARG A 82 2.060 -4.956 2.163 1.00 0.26 C ATOM 1267 O ARG A 82 2.062 -6.172 2.345 1.00 0.36 O ATOM 1268 CB ARG A 82 3.251 -3.637 3.926 1.00 0.18 C ATOM 1269 CG ARG A 82 4.566 -3.765 4.671 1.00 0.18 C ATOM 1270 CD ARG A 82 5.467 -2.556 4.451 1.00 0.16 C ATOM 1271 NE ARG A 82 6.609 -2.558 5.364 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.499 -3.544 5.442 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.409 -4.598 4.638 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.492 -3.474 6.318 1.00 0.85 N ATOM 0 H ARG A 82 3.317 -2.070 2.061 1.00 0.18 H new ATOM 0 HA ARG A 82 4.182 -4.728 2.321 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.939 -2.593 3.943 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.489 -4.206 4.459 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.369 -3.881 5.737 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.083 -4.667 4.342 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.825 -2.551 3.421 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.890 -1.642 4.592 1.00 0.16 H new ATOM 0 HE ARG A 82 6.731 -1.754 5.979 1.00 0.33 H new ATOM 0 HH11 ARG A 82 6.654 -4.655 3.955 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.095 -5.350 4.704 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.574 -2.664 6.932 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.174 -4.230 6.377 1.00 0.85 H new ATOM 1288 N ALA A 83 1.005 -4.290 1.696 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.241 -4.963 1.358 1.00 0.27 C ATOM 1290 C ALA A 83 -0.070 -5.868 0.146 1.00 0.31 C ATOM 1291 O ALA A 83 -0.289 -7.077 0.231 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.340 -3.952 1.096 1.00 0.25 C ATOM 0 H ALA A 83 0.992 -3.281 1.544 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.522 -5.581 2.210 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.263 -4.475 0.845 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.497 -3.346 1.988 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.051 -3.307 0.266 1.00 0.25 H new ATOM 1298 N PHE A 84 0.322 -5.284 -0.983 1.00 0.30 N ATOM 1299 CA PHE A 84 0.511 -6.068 -2.203 1.00 0.40 C ATOM 1300 C PHE A 84 1.678 -7.031 -2.036 1.00 0.36 C ATOM 1301 O PHE A 84 1.782 -8.034 -2.740 1.00 0.36 O ATOM 1302 CB PHE A 84 0.749 -5.151 -3.412 1.00 0.65 C ATOM 1303 CG PHE A 84 2.181 -5.114 -3.871 1.00 1.18 C ATOM 1304 CD1 PHE A 84 3.143 -4.462 -3.122 1.00 2.00 C ATOM 1305 CD2 PHE A 84 2.561 -5.741 -5.046 1.00 2.05 C ATOM 1306 CE1 PHE A 84 4.461 -4.434 -3.534 1.00 3.01 C ATOM 1307 CE2 PHE A 84 3.877 -5.717 -5.463 1.00 3.01 C ATOM 1308 CZ PHE A 84 4.828 -5.062 -4.704 1.00 3.37 C ATOM 0 H PHE A 84 0.513 -4.287 -1.080 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.398 -6.642 -2.383 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.121 -5.484 -4.238 1.00 0.65 H new ATOM 0 HB3 PHE A 84 0.432 -4.140 -3.158 1.00 0.65 H new ATOM 0 HD1 PHE A 84 2.860 -3.969 -2.204 1.00 2.00 H new ATOM 0 HD2 PHE A 84 1.821 -6.254 -5.642 1.00 2.05 H new ATOM 0 HE1 PHE A 84 5.203 -3.921 -2.940 1.00 3.01 H new ATOM 0 HE2 PHE A 84 4.163 -6.209 -6.381 1.00 3.01 H new ATOM 0 HZ PHE A 84 5.858 -5.042 -5.028 1.00 3.37 H new ATOM 1318 N ARG A 85 2.553 -6.705 -1.098 1.00 0.39 N ATOM 1319 CA ARG A 85 3.729 -7.514 -0.821 1.00 0.43 C ATOM 1320 C ARG A 85 3.343 -8.883 -0.264 1.00 0.38 C ATOM 1321 O ARG A 85 3.706 -9.917 -0.824 1.00 0.37 O ATOM 1322 CB ARG A 85 4.635 -6.754 0.150 1.00 0.56 C ATOM 1323 CG ARG A 85 5.418 -7.619 1.117 1.00 0.88 C ATOM 1324 CD ARG A 85 6.038 -6.762 2.203 1.00 0.72 C ATOM 1325 NE ARG A 85 6.592 -7.565 3.290 1.00 1.07 N ATOM 1326 CZ ARG A 85 7.890 -7.622 3.577 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.763 -6.925 2.865 1.00 1.31 N ATOM 1328 NH2 ARG A 85 8.314 -8.382 4.579 1.00 1.75 N ATOM 0 H ARG A 85 2.469 -5.876 -0.510 1.00 0.39 H new ATOM 0 HA ARG A 85 4.269 -7.694 -1.751 1.00 0.43 H new ATOM 0 HB2 ARG A 85 5.339 -6.156 -0.428 1.00 0.56 H new ATOM 0 HB3 ARG A 85 4.022 -6.059 0.724 1.00 0.56 H new ATOM 0 HG2 ARG A 85 4.760 -8.365 1.563 1.00 0.88 H new ATOM 0 HG3 ARG A 85 6.198 -8.161 0.582 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.826 -6.145 1.771 1.00 0.72 H new ATOM 0 HD3 ARG A 85 5.285 -6.083 2.602 1.00 0.72 H new ATOM 0 HE ARG A 85 5.948 -8.113 3.861 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.441 -6.341 2.093 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.757 -6.972 3.089 1.00 1.31 H new ATOM 0 HH21 ARG A 85 7.645 -8.922 5.128 1.00 1.75 H new ATOM 0 HH22 ARG A 85 9.309 -8.426 4.800 1.00 1.75 H new ATOM 1342 N GLU A 86 2.603 -8.880 0.840 1.00 0.38 N ATOM 1343 CA GLU A 86 2.169 -10.120 1.472 1.00 0.36 C ATOM 1344 C GLU A 86 1.211 -10.890 0.567 1.00 0.31 C ATOM 1345 O GLU A 86 1.265 -12.118 0.488 1.00 0.44 O ATOM 1346 CB GLU A 86 1.487 -9.813 2.805 1.00 0.41 C ATOM 1347 CG GLU A 86 0.291 -8.890 2.670 1.00 1.13 C ATOM 1348 CD GLU A 86 -0.537 -8.819 3.939 1.00 1.53 C ATOM 1349 OE1 GLU A 86 -0.210 -7.992 4.816 1.00 1.89 O ATOM 1350 OE2 GLU A 86 -1.516 -9.586 4.053 1.00 1.91 O ATOM 0 H GLU A 86 2.292 -8.033 1.315 1.00 0.38 H new ATOM 0 HA GLU A 86 3.048 -10.740 1.647 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.165 -10.748 3.264 1.00 0.41 H new ATOM 0 HB3 GLU A 86 2.213 -9.359 3.480 1.00 0.41 H new ATOM 0 HG2 GLU A 86 0.636 -7.890 2.409 1.00 1.13 H new ATOM 0 HG3 GLU A 86 -0.338 -9.234 1.849 1.00 1.13 H new ATOM 1357 N GLU A 87 0.338 -10.161 -0.116 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.636 -10.773 -1.008 1.00 0.15 C ATOM 1359 C GLU A 87 0.044 -11.445 -2.195 1.00 0.14 C ATOM 1360 O GLU A 87 -0.276 -12.580 -2.534 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.638 -9.728 -1.502 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.499 -9.137 -0.396 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.308 -10.189 0.340 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -2.779 -10.778 1.306 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -4.472 -10.423 -0.049 1.00 1.06 O ATOM 0 H GLU A 87 0.285 -9.143 -0.069 1.00 0.18 H new ATOM 0 HA GLU A 87 -1.168 -11.539 -0.443 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -1.096 -8.923 -1.998 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.286 -10.184 -2.251 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.861 -8.612 0.315 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.176 -8.397 -0.824 1.00 0.24 H new ATOM 1372 N ALA A 88 0.987 -10.742 -2.817 1.00 0.18 N ATOM 1373 CA ALA A 88 1.702 -11.274 -3.973 1.00 0.17 C ATOM 1374 C ALA A 88 2.249 -12.669 -3.700 1.00 0.17 C ATOM 1375 O ALA A 88 2.170 -13.551 -4.554 1.00 0.18 O ATOM 1376 CB ALA A 88 2.829 -10.340 -4.382 1.00 0.19 C ATOM 0 H ALA A 88 1.273 -9.803 -2.540 1.00 0.18 H new ATOM 0 HA ALA A 88 0.988 -11.348 -4.793 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.350 -10.754 -5.245 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.417 -9.364 -4.640 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.529 -10.231 -3.554 1.00 0.19 H new ATOM 1382 N ILE A 89 2.805 -12.866 -2.508 1.00 0.20 N ATOM 1383 CA ILE A 89 3.355 -14.162 -2.139 1.00 0.23 C ATOM 1384 C ILE A 89 2.264 -15.230 -2.188 1.00 0.24 C ATOM 1385 O ILE A 89 2.510 -16.367 -2.592 1.00 0.31 O ATOM 1386 CB ILE A 89 4.009 -14.121 -0.731 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.310 -14.930 -0.717 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.051 -14.627 0.343 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.130 -16.398 -1.047 1.00 1.52 C ATOM 0 H ILE A 89 2.885 -12.149 -1.787 1.00 0.20 H new ATOM 0 HA ILE A 89 4.133 -14.414 -2.859 1.00 0.23 H new ATOM 0 HB ILE A 89 4.244 -13.081 -0.504 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.006 -14.491 -1.432 1.00 0.74 H new ATOM 0 HG13 ILE A 89 5.768 -14.844 0.268 1.00 0.74 H new ATOM 0 HG21 ILE A 89 3.540 -14.585 1.316 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.158 -14.002 0.358 1.00 0.60 H new ATOM 0 HG23 ILE A 89 2.769 -15.657 0.123 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.097 -16.899 -1.016 1.00 1.52 H new ATOM 0 HD12 ILE A 89 4.461 -16.855 -0.318 1.00 1.52 H new ATOM 0 HD13 ILE A 89 4.702 -16.497 -2.045 1.00 1.52 H new ATOM 1401 N LYS A 90 1.059 -14.849 -1.774 1.00 0.24 N ATOM 1402 CA LYS A 90 -0.077 -15.764 -1.772 1.00 0.29 C ATOM 1403 C LYS A 90 -0.795 -15.756 -3.121 1.00 0.30 C ATOM 1404 O LYS A 90 -1.589 -16.649 -3.418 1.00 0.43 O ATOM 1405 CB LYS A 90 -1.060 -15.386 -0.664 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.456 -15.423 0.731 1.00 0.33 C ATOM 1407 CD LYS A 90 -0.028 -16.830 1.124 1.00 0.66 C ATOM 1408 CE LYS A 90 -1.222 -17.761 1.267 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.808 -19.143 1.638 1.00 2.42 N ATOM 0 H LYS A 90 0.844 -13.911 -1.435 1.00 0.24 H new ATOM 0 HA LYS A 90 0.305 -16.769 -1.590 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.443 -14.384 -0.857 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.912 -16.065 -0.699 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.405 -14.756 0.772 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -1.183 -15.049 1.452 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.655 -17.226 0.372 1.00 0.66 H new ATOM 0 HD3 LYS A 90 0.520 -16.794 2.065 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.899 -17.369 2.026 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.776 -17.788 0.329 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -1.651 -19.746 1.726 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -0.182 -19.527 0.902 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -0.302 -19.122 2.546 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.509 -14.741 -3.933 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.138 -14.604 -5.241 1.00 0.19 C ATOM 1425 C PHE A 91 -0.167 -14.935 -6.370 1.00 0.20 C ATOM 1426 O PHE A 91 -0.424 -14.619 -7.532 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.704 -13.193 -5.407 1.00 0.21 C ATOM 1428 CG PHE A 91 -3.034 -13.012 -4.730 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -4.195 -13.493 -5.307 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -3.118 -12.351 -3.513 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -5.418 -13.320 -4.687 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -4.336 -12.174 -2.889 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.495 -12.695 -3.479 1.00 0.43 C ATOM 0 H PHE A 91 0.156 -14.001 -3.706 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.957 -15.321 -5.298 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.994 -12.472 -5.001 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.810 -12.972 -6.469 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -4.145 -14.010 -6.254 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -2.220 -11.971 -3.049 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -6.317 -13.682 -5.163 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -4.395 -11.638 -1.953 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.447 -12.601 -2.977 1.00 0.43 H new ATOM 1443 N SER A 92 0.942 -15.583 -6.017 1.00 0.20 N ATOM 1444 CA SER A 92 1.957 -15.974 -6.995 1.00 0.23 C ATOM 1445 C SER A 92 2.262 -14.837 -7.964 1.00 0.27 C ATOM 1446 O SER A 92 1.800 -14.841 -9.106 1.00 0.61 O ATOM 1447 CB SER A 92 1.501 -17.211 -7.769 1.00 0.24 C ATOM 1448 OG SER A 92 1.279 -18.306 -6.899 1.00 0.25 O ATOM 0 H SER A 92 1.161 -15.849 -5.057 1.00 0.20 H new ATOM 0 HA SER A 92 2.871 -16.209 -6.449 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.585 -16.985 -8.314 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.255 -17.478 -8.509 1.00 0.24 H new ATOM 0 HG SER A 92 0.987 -19.083 -7.419 1.00 0.25 H new ATOM 1454 N GLU A 93 3.043 -13.865 -7.504 1.00 0.20 N ATOM 1455 CA GLU A 93 3.404 -12.720 -8.329 1.00 0.18 C ATOM 1456 C GLU A 93 4.737 -12.124 -7.885 1.00 0.18 C ATOM 1457 O GLU A 93 4.780 -11.249 -7.019 1.00 0.19 O ATOM 1458 CB GLU A 93 2.305 -11.657 -8.270 1.00 0.19 C ATOM 1459 CG GLU A 93 1.201 -11.863 -9.295 1.00 0.27 C ATOM 1460 CD GLU A 93 1.688 -11.696 -10.722 1.00 0.74 C ATOM 1461 OE1 GLU A 93 2.229 -12.673 -11.281 1.00 0.96 O ATOM 1462 OE2 GLU A 93 1.530 -10.589 -11.277 1.00 1.46 O ATOM 0 H GLU A 93 3.438 -13.848 -6.564 1.00 0.20 H new ATOM 0 HA GLU A 93 3.510 -13.064 -9.358 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.867 -11.655 -7.272 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.753 -10.675 -8.423 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.780 -12.861 -9.174 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.397 -11.152 -9.104 1.00 0.27 H new ATOM 1469 N GLU A 94 5.823 -12.612 -8.477 1.00 0.21 N ATOM 1470 CA GLU A 94 7.160 -12.131 -8.145 1.00 0.24 C ATOM 1471 C GLU A 94 7.509 -10.882 -8.950 1.00 0.25 C ATOM 1472 O GLU A 94 8.077 -9.927 -8.416 1.00 0.31 O ATOM 1473 CB GLU A 94 8.198 -13.226 -8.397 1.00 0.28 C ATOM 1474 CG GLU A 94 8.157 -13.791 -9.808 1.00 0.33 C ATOM 1475 CD GLU A 94 9.209 -14.858 -10.037 1.00 0.92 C ATOM 1476 OE1 GLU A 94 8.916 -16.045 -9.782 1.00 1.53 O ATOM 1477 OE2 GLU A 94 10.326 -14.507 -10.474 1.00 1.46 O ATOM 0 H GLU A 94 5.803 -13.341 -9.190 1.00 0.21 H new ATOM 0 HA GLU A 94 7.170 -11.870 -7.087 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.192 -12.823 -8.205 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.039 -14.036 -7.685 1.00 0.28 H new ATOM 0 HG2 GLU A 94 7.170 -14.212 -9.999 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.303 -12.982 -10.524 1.00 0.33 H new ATOM 1484 N GLN A 95 7.168 -10.893 -10.236 1.00 0.25 N ATOM 1485 CA GLN A 95 7.446 -9.758 -11.109 1.00 0.28 C ATOM 1486 C GLN A 95 6.715 -8.511 -10.624 1.00 0.23 C ATOM 1487 O GLN A 95 7.252 -7.404 -10.670 1.00 0.20 O ATOM 1488 CB GLN A 95 7.039 -10.078 -12.551 1.00 0.33 C ATOM 1489 CG GLN A 95 5.569 -10.432 -12.709 1.00 0.73 C ATOM 1490 CD GLN A 95 5.169 -10.655 -14.156 1.00 0.78 C ATOM 1491 OE1 GLN A 95 4.029 -10.394 -14.541 1.00 1.54 O ATOM 1492 NE2 GLN A 95 6.103 -11.140 -14.965 1.00 1.03 N ATOM 0 H GLN A 95 6.700 -11.674 -10.695 1.00 0.25 H new ATOM 0 HA GLN A 95 8.518 -9.564 -11.081 1.00 0.28 H new ATOM 0 HB2 GLN A 95 7.266 -9.219 -13.182 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.644 -10.909 -12.914 1.00 0.33 H new ATOM 0 HG2 GLN A 95 5.353 -11.333 -12.134 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.960 -9.632 -12.288 1.00 0.73 H new ATOM 0 HE21 GLN A 95 7.035 -11.342 -14.604 1.00 1.03 H new ATOM 0 HE22 GLN A 95 5.888 -11.310 -15.948 1.00 1.03 H new ATOM 1501 N ARG A 96 5.487 -8.705 -10.154 1.00 0.25 N ATOM 1502 CA ARG A 96 4.673 -7.604 -9.651 1.00 0.22 C ATOM 1503 C ARG A 96 5.385 -6.874 -8.521 1.00 0.20 C ATOM 1504 O ARG A 96 5.178 -5.680 -8.309 1.00 0.26 O ATOM 1505 CB ARG A 96 3.324 -8.134 -9.157 1.00 0.25 C ATOM 1506 CG ARG A 96 2.123 -7.592 -9.918 1.00 0.95 C ATOM 1507 CD ARG A 96 1.729 -6.204 -9.444 1.00 0.63 C ATOM 1508 NE ARG A 96 2.759 -5.207 -9.722 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.515 -4.020 -10.271 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.282 -3.692 -10.638 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.506 -3.162 -10.462 1.00 2.99 N ATOM 0 H ARG A 96 5.033 -9.617 -10.111 1.00 0.25 H new ATOM 0 HA ARG A 96 4.509 -6.900 -10.467 1.00 0.22 H new ATOM 0 HB2 ARG A 96 3.325 -9.222 -9.230 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.213 -7.885 -8.102 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.353 -7.560 -10.983 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.279 -8.271 -9.794 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.800 -5.907 -9.930 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.533 -6.231 -8.372 1.00 0.63 H new ATOM 0 HE ARG A 96 3.724 -5.434 -9.481 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.516 -4.351 -10.499 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.100 -2.781 -11.058 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.456 -3.411 -10.188 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.319 -2.252 -10.883 1.00 2.99 H new ATOM 1525 N PHE A 97 6.234 -7.596 -7.801 1.00 0.27 N ATOM 1526 CA PHE A 97 6.963 -7.011 -6.687 1.00 0.31 C ATOM 1527 C PHE A 97 8.040 -6.059 -7.178 1.00 0.25 C ATOM 1528 O PHE A 97 8.043 -4.883 -6.820 1.00 0.22 O ATOM 1529 CB PHE A 97 7.576 -8.106 -5.813 1.00 0.45 C ATOM 1530 CG PHE A 97 7.783 -7.695 -4.383 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.830 -6.858 -4.030 1.00 1.29 C ATOM 1532 CD2 PHE A 97 6.929 -8.147 -3.390 1.00 0.94 C ATOM 1533 CE1 PHE A 97 9.020 -6.479 -2.714 1.00 1.39 C ATOM 1534 CE2 PHE A 97 7.114 -7.773 -2.073 1.00 0.92 C ATOM 1535 CZ PHE A 97 8.161 -6.938 -1.735 1.00 0.67 C ATOM 0 H PHE A 97 6.433 -8.582 -7.968 1.00 0.27 H new ATOM 0 HA PHE A 97 6.256 -6.440 -6.085 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.930 -8.983 -5.839 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.535 -8.403 -6.238 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.505 -6.498 -4.792 1.00 1.29 H new ATOM 0 HD2 PHE A 97 6.108 -8.800 -3.649 1.00 0.94 H new ATOM 0 HE1 PHE A 97 9.839 -5.825 -2.452 1.00 1.39 H new ATOM 0 HE2 PHE A 97 6.441 -8.133 -1.309 1.00 0.92 H new ATOM 0 HZ PHE A 97 8.308 -6.644 -0.706 1.00 0.67 H new ATOM 1545 N ASN A 98 8.954 -6.567 -7.991 1.00 0.28 N ATOM 1546 CA ASN A 98 10.019 -5.735 -8.525 1.00 0.26 C ATOM 1547 C ASN A 98 9.443 -4.665 -9.438 1.00 0.21 C ATOM 1548 O ASN A 98 10.089 -3.659 -9.715 1.00 0.21 O ATOM 1549 CB ASN A 98 11.047 -6.582 -9.277 1.00 0.34 C ATOM 1550 CG ASN A 98 10.413 -7.468 -10.330 1.00 0.43 C ATOM 1551 OD1 ASN A 98 10.107 -8.631 -10.072 1.00 1.03 O ATOM 1552 ND2 ASN A 98 10.210 -6.920 -11.522 1.00 1.22 N ATOM 0 H ASN A 98 8.980 -7.541 -8.292 1.00 0.28 H new ATOM 0 HA ASN A 98 10.525 -5.249 -7.691 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.776 -5.925 -9.751 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.592 -7.202 -8.565 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.784 -7.468 -12.269 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.480 -5.951 -11.690 1.00 1.22 H new ATOM 1559 N ASN A 99 8.217 -4.885 -9.906 1.00 0.18 N ATOM 1560 CA ASN A 99 7.571 -3.924 -10.785 1.00 0.20 C ATOM 1561 C ASN A 99 7.059 -2.726 -9.995 1.00 0.19 C ATOM 1562 O ASN A 99 7.394 -1.591 -10.316 1.00 0.24 O ATOM 1563 CB ASN A 99 6.428 -4.577 -11.562 1.00 0.22 C ATOM 1564 CG ASN A 99 5.971 -3.734 -12.736 1.00 0.63 C ATOM 1565 OD1 ASN A 99 5.094 -2.882 -12.602 1.00 1.41 O ATOM 1566 ND2 ASN A 99 6.570 -3.967 -13.900 1.00 1.14 N ATOM 0 H ASN A 99 7.659 -5.712 -9.692 1.00 0.18 H new ATOM 0 HA ASN A 99 8.315 -3.573 -11.500 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.749 -5.554 -11.923 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.586 -4.747 -10.891 1.00 0.22 H new ATOM 0 HD21 ASN A 99 6.307 -3.429 -14.726 1.00 1.14 H new ATOM 0 HD22 ASN A 99 7.293 -4.683 -13.967 1.00 1.14 H new ATOM 1573 N PHE A 100 6.256 -2.971 -8.961 1.00 0.18 N ATOM 1574 CA PHE A 100 5.733 -1.877 -8.148 1.00 0.23 C ATOM 1575 C PHE A 100 6.890 -1.211 -7.421 1.00 0.18 C ATOM 1576 O PHE A 100 6.932 0.001 -7.278 1.00 0.21 O ATOM 1577 CB PHE A 100 4.652 -2.411 -7.178 1.00 0.38 C ATOM 1578 CG PHE A 100 4.116 -1.461 -6.119 1.00 1.36 C ATOM 1579 CD1 PHE A 100 4.534 -0.140 -6.128 1.00 2.09 C ATOM 1580 CD2 PHE A 100 3.216 -1.851 -5.138 1.00 1.99 C ATOM 1581 CE1 PHE A 100 4.070 0.765 -5.194 1.00 3.08 C ATOM 1582 CE2 PHE A 100 2.748 -0.949 -4.200 1.00 2.95 C ATOM 1583 CZ PHE A 100 3.090 0.205 -4.133 1.00 3.43 C ATOM 0 H PHE A 100 5.958 -3.902 -8.670 1.00 0.18 H new ATOM 0 HA PHE A 100 5.252 -1.126 -8.775 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.808 -2.757 -7.775 1.00 0.38 H new ATOM 0 HB3 PHE A 100 5.061 -3.283 -6.669 1.00 0.38 H new ATOM 0 HD1 PHE A 100 5.236 0.188 -6.880 1.00 2.09 H new ATOM 0 HD2 PHE A 100 2.875 -2.875 -5.106 1.00 1.99 H new ATOM 0 HE1 PHE A 100 4.372 1.802 -5.203 1.00 3.08 H new ATOM 0 HE2 PHE A 100 2.027 -1.303 -3.478 1.00 2.95 H new ATOM 0 HZ PHE A 100 2.718 0.841 -3.343 1.00 3.43 H new ATOM 1593 N LEU A 101 7.867 -2.000 -7.029 1.00 0.18 N ATOM 1594 CA LEU A 101 9.008 -1.464 -6.312 1.00 0.21 C ATOM 1595 C LEU A 101 9.866 -0.573 -7.196 1.00 0.20 C ATOM 1596 O LEU A 101 10.157 0.572 -6.835 1.00 0.21 O ATOM 1597 CB LEU A 101 9.848 -2.605 -5.741 1.00 0.28 C ATOM 1598 CG LEU A 101 10.876 -2.228 -4.666 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.637 -0.821 -4.117 1.00 0.92 C ATOM 1600 CD2 LEU A 101 10.816 -3.255 -3.546 1.00 0.92 C ATOM 0 H LEU A 101 7.897 -3.006 -7.192 1.00 0.18 H new ATOM 0 HA LEU A 101 8.628 -0.848 -5.497 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.172 -3.349 -5.320 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.376 -3.085 -6.565 1.00 0.28 H new ATOM 0 HG LEU A 101 11.868 -2.227 -5.118 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.387 -0.594 -3.359 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.710 -0.097 -4.928 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.643 -0.768 -3.672 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.543 -2.997 -2.776 1.00 0.92 H new ATOM 0 HD22 LEU A 101 9.816 -3.263 -3.113 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.046 -4.243 -3.945 1.00 0.92 H new ATOM 1612 N LYS A 102 10.260 -1.069 -8.359 1.00 0.20 N ATOM 1613 CA LYS A 102 11.105 -0.276 -9.225 1.00 0.23 C ATOM 1614 C LYS A 102 10.309 0.835 -9.897 1.00 0.22 C ATOM 1615 O LYS A 102 10.871 1.856 -10.299 1.00 0.26 O ATOM 1616 CB LYS A 102 11.802 -1.154 -10.269 1.00 0.27 C ATOM 1617 CG LYS A 102 12.712 -2.227 -9.671 1.00 0.28 C ATOM 1618 CD LYS A 102 13.612 -1.681 -8.567 1.00 0.33 C ATOM 1619 CE LYS A 102 14.497 -0.544 -9.058 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.393 -0.973 -10.166 1.00 2.40 N ATOM 0 H LYS A 102 10.014 -1.993 -8.715 1.00 0.20 H new ATOM 0 HA LYS A 102 11.874 0.186 -8.606 1.00 0.23 H new ATOM 0 HB2 LYS A 102 11.045 -1.637 -10.886 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.392 -0.518 -10.928 1.00 0.27 H new ATOM 0 HG2 LYS A 102 12.100 -3.035 -9.270 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.330 -2.656 -10.460 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.996 -1.329 -7.739 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.238 -2.485 -8.179 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.871 0.282 -9.397 1.00 1.44 H new ATOM 0 HE3 LYS A 102 15.099 -0.169 -8.230 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 16.070 -0.213 -10.379 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.911 -1.829 -9.882 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 14.825 -1.178 -11.013 1.00 2.40 H new ATOM 1634 N ALA A 103 8.995 0.645 -10.003 1.00 0.19 N ATOM 1635 CA ALA A 103 8.138 1.649 -10.620 1.00 0.21 C ATOM 1636 C ALA A 103 7.791 2.738 -9.621 1.00 0.18 C ATOM 1637 O ALA A 103 7.761 3.923 -9.965 1.00 0.20 O ATOM 1638 CB ALA A 103 6.875 1.020 -11.185 1.00 0.24 C ATOM 0 H ALA A 103 8.507 -0.187 -9.672 1.00 0.19 H new ATOM 0 HA ALA A 103 8.687 2.098 -11.447 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.255 1.793 -11.639 1.00 0.24 H new ATOM 0 HB2 ALA A 103 7.143 0.280 -11.939 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.320 0.535 -10.382 1.00 0.24 H new ATOM 1644 N LEU A 104 7.537 2.346 -8.377 1.00 0.16 N ATOM 1645 CA LEU A 104 7.211 3.323 -7.361 1.00 0.16 C ATOM 1646 C LEU A 104 8.438 4.185 -7.121 1.00 0.16 C ATOM 1647 O LEU A 104 8.343 5.406 -7.029 1.00 0.16 O ATOM 1648 CB LEU A 104 6.747 2.655 -6.053 1.00 0.19 C ATOM 1649 CG LEU A 104 7.835 1.950 -5.229 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.567 2.933 -4.334 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.234 0.835 -4.387 1.00 0.24 C ATOM 0 H LEU A 104 7.551 1.377 -8.058 1.00 0.16 H new ATOM 0 HA LEU A 104 6.380 3.938 -7.707 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.281 3.416 -5.426 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.974 1.925 -6.296 1.00 0.19 H new ATOM 0 HG LEU A 104 8.551 1.519 -5.929 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.331 2.406 -3.763 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.038 3.702 -4.947 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.858 3.398 -3.649 1.00 0.23 H new ATOM 0 HD21 LEU A 104 8.022 0.349 -3.811 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.492 1.253 -3.706 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.757 0.103 -5.039 1.00 0.24 H new ATOM 1663 N GLN A 105 9.602 3.530 -7.046 1.00 0.18 N ATOM 1664 CA GLN A 105 10.857 4.231 -6.825 1.00 0.22 C ATOM 1665 C GLN A 105 11.183 5.153 -7.989 1.00 0.24 C ATOM 1666 O GLN A 105 11.416 6.347 -7.789 1.00 0.26 O ATOM 1667 CB GLN A 105 11.987 3.234 -6.560 1.00 0.27 C ATOM 1668 CG GLN A 105 13.358 3.663 -7.073 1.00 0.35 C ATOM 1669 CD GLN A 105 13.968 4.792 -6.271 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.260 5.612 -5.692 1.00 1.76 O ATOM 1671 NE2 GLN A 105 15.295 4.844 -6.234 1.00 1.92 N ATOM 0 H GLN A 105 9.694 2.518 -7.136 1.00 0.18 H new ATOM 0 HA GLN A 105 10.750 4.858 -5.940 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.055 3.062 -5.486 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.726 2.281 -7.020 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.031 2.806 -7.052 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.269 3.973 -8.114 1.00 0.35 H new ATOM 0 HE21 GLN A 105 15.847 4.143 -6.729 1.00 1.92 H new ATOM 0 HE22 GLN A 105 15.762 5.585 -5.711 1.00 1.92 H new ATOM 1680 N GLU A 106 11.204 4.611 -9.204 1.00 0.25 N ATOM 1681 CA GLU A 106 11.482 5.442 -10.361 1.00 0.29 C ATOM 1682 C GLU A 106 10.562 6.650 -10.315 1.00 0.29 C ATOM 1683 O GLU A 106 10.956 7.769 -10.641 1.00 0.35 O ATOM 1684 CB GLU A 106 11.295 4.665 -11.670 1.00 0.31 C ATOM 1685 CG GLU A 106 9.844 4.401 -12.035 1.00 0.29 C ATOM 1686 CD GLU A 106 9.694 3.734 -13.388 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.768 2.488 -13.447 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.500 4.457 -14.388 1.00 0.41 O ATOM 0 H GLU A 106 11.036 3.625 -9.406 1.00 0.25 H new ATOM 0 HA GLU A 106 12.523 5.764 -10.331 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.766 5.221 -12.480 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.818 3.712 -11.592 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.390 3.770 -11.271 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.296 5.344 -12.036 1.00 0.29 H new ATOM 1695 N LYS A 107 9.332 6.417 -9.859 1.00 0.23 N ATOM 1696 CA LYS A 107 8.350 7.477 -9.746 1.00 0.23 C ATOM 1697 C LYS A 107 8.778 8.513 -8.702 1.00 0.24 C ATOM 1698 O LYS A 107 8.607 9.714 -8.915 1.00 0.30 O ATOM 1699 CB LYS A 107 6.994 6.880 -9.376 1.00 0.22 C ATOM 1700 CG LYS A 107 5.887 7.906 -9.205 1.00 0.62 C ATOM 1701 CD LYS A 107 5.150 7.729 -7.883 1.00 1.05 C ATOM 1702 CE LYS A 107 4.718 6.286 -7.659 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.200 5.659 -8.906 1.00 2.14 N ATOM 0 H LYS A 107 8.998 5.500 -9.563 1.00 0.23 H new ATOM 0 HA LYS A 107 8.272 7.984 -10.708 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.699 6.170 -10.149 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.098 6.317 -8.449 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.311 8.909 -9.253 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.180 7.819 -10.030 1.00 0.62 H new ATOM 0 HD2 LYS A 107 5.795 8.046 -7.063 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.273 8.376 -7.867 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.564 5.708 -7.287 1.00 1.11 H new ATOM 0 HE3 LYS A 107 3.947 6.254 -6.890 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 3.439 4.991 -8.669 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.829 6.397 -9.537 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 4.970 5.150 -9.384 1.00 2.14 H new ATOM 1717 N VAL A 108 9.329 8.051 -7.574 1.00 0.22 N ATOM 1718 CA VAL A 108 9.770 8.972 -6.524 1.00 0.26 C ATOM 1719 C VAL A 108 10.871 9.893 -7.046 1.00 0.33 C ATOM 1720 O VAL A 108 10.923 11.070 -6.691 1.00 0.40 O ATOM 1721 CB VAL A 108 10.266 8.247 -5.242 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.487 6.975 -4.986 1.00 0.22 C ATOM 1723 CG2 VAL A 108 11.760 7.966 -5.296 1.00 0.28 C ATOM 0 H VAL A 108 9.478 7.063 -7.368 1.00 0.22 H new ATOM 0 HA VAL A 108 8.893 9.556 -6.247 1.00 0.26 H new ATOM 0 HB VAL A 108 10.087 8.923 -4.406 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.861 6.495 -4.082 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.431 7.214 -4.859 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.607 6.298 -5.832 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.068 7.458 -4.382 1.00 0.28 H new ATOM 0 HG22 VAL A 108 11.980 7.332 -6.155 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.304 8.906 -5.390 1.00 0.28 H new ATOM 1733 N GLU A 109 11.752 9.352 -7.891 1.00 0.38 N ATOM 1734 CA GLU A 109 12.838 10.152 -8.457 1.00 0.48 C ATOM 1735 C GLU A 109 12.276 11.188 -9.420 1.00 0.45 C ATOM 1736 O GLU A 109 12.633 12.366 -9.367 1.00 0.45 O ATOM 1737 CB GLU A 109 13.862 9.278 -9.191 1.00 0.62 C ATOM 1738 CG GLU A 109 13.700 7.788 -8.947 1.00 1.29 C ATOM 1739 CD GLU A 109 14.850 6.976 -9.510 1.00 1.62 C ATOM 1740 OE1 GLU A 109 15.853 6.791 -8.789 1.00 1.75 O ATOM 1741 OE2 GLU A 109 14.747 6.524 -10.669 1.00 2.41 O ATOM 0 H GLU A 109 11.735 8.378 -8.194 1.00 0.38 H new ATOM 0 HA GLU A 109 13.345 10.650 -7.630 1.00 0.48 H new ATOM 0 HB2 GLU A 109 13.785 9.470 -10.261 1.00 0.62 H new ATOM 0 HB3 GLU A 109 14.864 9.578 -8.885 1.00 0.62 H new ATOM 0 HG2 GLU A 109 13.622 7.606 -7.875 1.00 1.29 H new ATOM 0 HG3 GLU A 109 12.767 7.449 -9.397 1.00 1.29 H new ATOM 1748 N ILE A 110 11.392 10.733 -10.302 1.00 0.44 N ATOM 1749 CA ILE A 110 10.765 11.607 -11.284 1.00 0.42 C ATOM 1750 C ILE A 110 9.979 12.727 -10.605 1.00 0.39 C ATOM 1751 O ILE A 110 9.878 13.835 -11.134 1.00 0.45 O ATOM 1752 CB ILE A 110 9.822 10.804 -12.212 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.600 10.200 -13.383 1.00 0.51 C ATOM 1754 CG2 ILE A 110 8.681 11.671 -12.732 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.662 9.205 -12.976 1.00 0.55 C ATOM 0 H ILE A 110 11.093 9.759 -10.356 1.00 0.44 H new ATOM 0 HA ILE A 110 11.562 12.050 -11.881 1.00 0.42 H new ATOM 0 HB ILE A 110 9.391 9.996 -11.621 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.897 9.709 -14.056 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.070 11.006 -13.946 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.038 11.076 -13.380 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.099 12.049 -11.891 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.089 12.509 -13.296 1.00 0.42 H new ATOM 0 HD11 ILE A 110 12.165 8.826 -13.865 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.390 9.694 -12.328 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.198 8.377 -12.440 1.00 0.55 H new ATOM 1767 N LYS A 111 9.437 12.437 -9.426 1.00 0.36 N ATOM 1768 CA LYS A 111 8.643 13.415 -8.696 1.00 0.37 C ATOM 1769 C LYS A 111 9.360 13.952 -7.457 1.00 0.40 C ATOM 1770 O LYS A 111 10.572 13.800 -7.301 1.00 0.48 O ATOM 1771 CB LYS A 111 7.301 12.801 -8.300 1.00 0.39 C ATOM 1772 CG LYS A 111 6.211 12.993 -9.341 1.00 0.51 C ATOM 1773 CD LYS A 111 4.825 12.883 -8.724 1.00 0.65 C ATOM 1774 CE LYS A 111 4.536 11.469 -8.243 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.153 11.337 -7.706 1.00 1.28 N ATOM 0 H LYS A 111 9.534 11.536 -8.959 1.00 0.36 H new ATOM 0 HA LYS A 111 8.483 14.262 -9.363 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.438 11.734 -8.122 1.00 0.39 H new ATOM 0 HB3 LYS A 111 6.974 13.242 -7.358 1.00 0.39 H new ATOM 0 HG2 LYS A 111 6.324 13.969 -9.812 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.321 12.245 -10.127 1.00 0.51 H new ATOM 0 HD2 LYS A 111 4.743 13.576 -7.887 1.00 0.65 H new ATOM 0 HD3 LYS A 111 4.075 13.179 -9.458 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.674 10.770 -9.068 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.253 11.195 -7.470 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 2.996 10.359 -7.389 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.029 11.986 -6.903 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 2.467 11.574 -8.451 1.00 1.28 H new ATOM 1789 N GLN A 112 8.577 14.586 -6.586 1.00 0.43 N ATOM 1790 CA GLN A 112 9.079 15.192 -5.351 1.00 0.56 C ATOM 1791 C GLN A 112 8.795 14.332 -4.146 1.00 0.65 C ATOM 1792 O GLN A 112 8.259 14.812 -3.147 1.00 1.51 O ATOM 1793 CB GLN A 112 8.378 16.521 -5.144 1.00 0.66 C ATOM 1794 CG GLN A 112 9.008 17.682 -5.897 1.00 0.69 C ATOM 1795 CD GLN A 112 10.397 18.019 -5.393 1.00 1.29 C ATOM 1796 OE1 GLN A 112 10.560 18.844 -4.493 1.00 2.15 O ATOM 1797 NE2 GLN A 112 11.408 17.379 -5.970 1.00 2.03 N ATOM 0 H GLN A 112 7.571 14.695 -6.716 1.00 0.43 H new ATOM 0 HA GLN A 112 10.158 15.309 -5.451 1.00 0.56 H new ATOM 0 HB2 GLN A 112 7.338 16.423 -5.455 1.00 0.66 H new ATOM 0 HB3 GLN A 112 8.372 16.754 -4.079 1.00 0.66 H new ATOM 0 HG2 GLN A 112 9.060 17.437 -6.958 1.00 0.69 H new ATOM 0 HG3 GLN A 112 8.369 18.560 -5.804 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.227 16.703 -6.712 1.00 2.03 H new ATOM 0 HE22 GLN A 112 12.366 17.563 -5.671 1.00 2.03 H new ATOM 1806 N LEU A 113 9.160 13.076 -4.218 1.00 0.37 N ATOM 1807 CA LEU A 113 8.870 12.183 -3.126 1.00 0.29 C ATOM 1808 C LEU A 113 10.086 11.382 -2.704 1.00 0.30 C ATOM 1809 O LEU A 113 10.075 10.152 -2.716 1.00 0.44 O ATOM 1810 CB LEU A 113 7.713 11.284 -3.532 1.00 0.24 C ATOM 1811 CG LEU A 113 6.383 12.016 -3.750 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.976 12.769 -2.497 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.425 12.943 -4.956 1.00 0.36 C ATOM 0 H LEU A 113 9.650 12.655 -5.007 1.00 0.37 H new ATOM 0 HA LEU A 113 8.586 12.768 -2.251 1.00 0.29 H new ATOM 0 HB2 LEU A 113 7.980 10.762 -4.451 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.573 10.524 -2.763 1.00 0.24 H new ATOM 0 HG LEU A 113 5.628 11.259 -3.961 1.00 0.21 H new ATOM 0 HD11 LEU A 113 5.030 13.282 -2.672 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.861 12.066 -1.672 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.744 13.500 -2.246 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.460 13.438 -5.068 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.203 13.693 -4.812 1.00 0.36 H new ATOM 0 HD23 LEU A 113 6.642 12.363 -5.853 1.00 0.36 H new ATOM 1825 N ASN A 114 11.135 12.098 -2.320 1.00 0.19 N ATOM 1826 CA ASN A 114 12.358 11.461 -1.872 1.00 0.18 C ATOM 1827 C ASN A 114 12.189 10.965 -0.442 1.00 0.16 C ATOM 1828 O ASN A 114 12.634 9.872 -0.102 1.00 0.18 O ATOM 1829 CB ASN A 114 13.538 12.430 -1.964 1.00 0.20 C ATOM 1830 CG ASN A 114 13.751 12.952 -3.372 1.00 0.27 C ATOM 1831 OD1 ASN A 114 13.455 12.268 -4.351 1.00 1.10 O ATOM 1832 ND2 ASN A 114 14.270 14.171 -3.480 1.00 1.22 N ATOM 0 H ASN A 114 11.160 13.118 -2.311 1.00 0.19 H new ATOM 0 HA ASN A 114 12.566 10.610 -2.521 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.368 13.270 -1.290 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.444 11.928 -1.625 1.00 0.20 H new ATOM 0 HD21 ASN A 114 14.438 14.574 -4.402 1.00 1.22 H new ATOM 0 HD22 ASN A 114 14.501 14.703 -2.641 1.00 1.22 H new ATOM 1839 N HIS A 115 11.538 11.784 0.392 1.00 0.16 N ATOM 1840 CA HIS A 115 11.287 11.420 1.787 1.00 0.14 C ATOM 1841 C HIS A 115 10.686 10.026 1.851 1.00 0.13 C ATOM 1842 O HIS A 115 11.065 9.202 2.688 1.00 0.12 O ATOM 1843 CB HIS A 115 10.341 12.425 2.438 1.00 0.15 C ATOM 1844 CG HIS A 115 10.878 13.821 2.473 1.00 0.28 C ATOM 1845 ND1 HIS A 115 11.567 14.334 3.552 1.00 1.33 N ATOM 1846 CD2 HIS A 115 10.828 14.814 1.554 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.916 15.583 3.297 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.479 15.898 2.090 1.00 0.51 N ATOM 0 H HIS A 115 11.177 12.700 0.124 1.00 0.16 H new ATOM 0 HA HIS A 115 12.232 11.431 2.330 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.395 12.423 1.897 1.00 0.15 H new ATOM 0 HB3 HIS A 115 10.127 12.102 3.457 1.00 0.15 H new ATOM 0 HD2 HIS A 115 10.363 14.763 0.581 1.00 0.92 H new ATOM 0 HE1 HIS A 115 12.464 16.235 3.961 1.00 1.14 H new ATOM 0 HE2 HIS A 115 11.605 16.800 1.631 1.00 0.51 H new ATOM 1857 N PHE A 116 9.731 9.776 0.967 1.00 0.13 N ATOM 1858 CA PHE A 116 9.102 8.473 0.884 1.00 0.13 C ATOM 1859 C PHE A 116 10.197 7.426 0.734 1.00 0.12 C ATOM 1860 O PHE A 116 10.328 6.510 1.550 1.00 0.16 O ATOM 1861 CB PHE A 116 8.135 8.438 -0.305 1.00 0.15 C ATOM 1862 CG PHE A 116 7.700 7.057 -0.713 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.403 6.089 0.237 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.589 6.727 -2.053 1.00 0.73 C ATOM 1865 CE1 PHE A 116 7.008 4.824 -0.145 1.00 0.77 C ATOM 1866 CE2 PHE A 116 7.193 5.463 -2.439 1.00 0.72 C ATOM 1867 CZ PHE A 116 6.902 4.510 -1.485 1.00 0.21 C ATOM 0 H PHE A 116 9.377 10.461 0.299 1.00 0.13 H new ATOM 0 HA PHE A 116 8.525 8.265 1.785 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.251 9.025 -0.056 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.610 8.923 -1.158 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.482 6.329 1.287 1.00 0.73 H new ATOM 0 HD2 PHE A 116 7.815 7.468 -2.805 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.782 4.079 0.604 1.00 0.77 H new ATOM 0 HE2 PHE A 116 7.111 5.220 -3.488 1.00 0.72 H new ATOM 0 HZ PHE A 116 6.592 3.520 -1.786 1.00 0.21 H new ATOM 1877 N TRP A 117 11.006 7.596 -0.306 1.00 0.14 N ATOM 1878 CA TRP A 117 12.116 6.698 -0.567 1.00 0.15 C ATOM 1879 C TRP A 117 12.949 6.520 0.699 1.00 0.15 C ATOM 1880 O TRP A 117 13.411 5.420 0.997 1.00 0.19 O ATOM 1881 CB TRP A 117 12.975 7.250 -1.711 1.00 0.19 C ATOM 1882 CG TRP A 117 14.273 6.527 -1.916 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.520 6.980 -1.594 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.455 5.234 -2.502 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.467 6.050 -1.946 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.838 4.967 -2.504 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.584 4.272 -3.025 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.369 3.784 -3.009 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.114 3.097 -3.526 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.494 2.862 -3.515 1.00 0.92 C ATOM 0 H TRP A 117 10.910 8.353 -0.983 1.00 0.14 H new ATOM 0 HA TRP A 117 11.730 5.723 -0.865 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.399 7.206 -2.635 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.186 8.302 -1.516 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.731 7.932 -1.130 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.474 6.149 -1.814 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.518 4.444 -3.037 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.433 3.600 -3.002 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.452 2.347 -3.933 1.00 0.88 H new ATOM 0 HH2 TRP A 117 15.876 1.934 -3.914 1.00 0.92 H new ATOM 1901 N GLU A 118 13.098 7.608 1.460 1.00 0.14 N ATOM 1902 CA GLU A 118 13.874 7.581 2.697 1.00 0.15 C ATOM 1903 C GLU A 118 13.316 6.558 3.682 1.00 0.14 C ATOM 1904 O GLU A 118 14.041 5.667 4.131 1.00 0.17 O ATOM 1905 CB GLU A 118 13.908 8.963 3.356 1.00 0.17 C ATOM 1906 CG GLU A 118 14.435 10.067 2.453 1.00 0.20 C ATOM 1907 CD GLU A 118 15.801 9.751 1.876 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.812 10.039 2.552 1.00 0.64 O ATOM 1909 OE2 GLU A 118 15.860 9.218 0.748 1.00 0.86 O ATOM 0 H GLU A 118 12.691 8.517 1.239 1.00 0.14 H new ATOM 0 HA GLU A 118 14.890 7.290 2.431 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.901 9.224 3.681 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.529 8.912 4.251 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.730 10.231 1.638 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.491 10.997 3.018 1.00 0.20 H new ATOM 1916 N ILE A 119 12.029 6.675 4.024 1.00 0.11 N ATOM 1917 CA ILE A 119 11.434 5.735 4.970 1.00 0.13 C ATOM 1918 C ILE A 119 11.541 4.311 4.452 1.00 0.14 C ATOM 1919 O ILE A 119 11.686 3.376 5.239 1.00 0.19 O ATOM 1920 CB ILE A 119 9.963 6.054 5.318 1.00 0.15 C ATOM 1921 CG1 ILE A 119 9.046 5.817 4.116 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.843 7.481 5.825 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.612 6.244 4.347 1.00 0.14 C ATOM 0 H ILE A 119 11.396 7.392 3.669 1.00 0.11 H new ATOM 0 HA ILE A 119 12.006 5.840 5.892 1.00 0.13 H new ATOM 0 HB ILE A 119 9.642 5.378 6.110 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.442 6.358 3.257 1.00 0.10 H new ATOM 0 HG13 ILE A 119 9.063 4.757 3.861 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.802 7.695 6.067 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.456 7.602 6.718 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.185 8.171 5.054 1.00 0.22 H new ATOM 0 HD11 ILE A 119 7.024 6.045 3.451 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.196 5.685 5.185 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.581 7.310 4.571 1.00 0.14 H new ATOM 1935 N VAL A 120 11.473 4.132 3.132 1.00 0.13 N ATOM 1936 CA VAL A 120 11.600 2.787 2.582 1.00 0.20 C ATOM 1937 C VAL A 120 13.006 2.241 2.865 1.00 0.21 C ATOM 1938 O VAL A 120 13.155 1.071 3.205 1.00 0.25 O ATOM 1939 CB VAL A 120 11.267 2.697 1.071 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.549 3.938 0.584 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.509 2.436 0.246 1.00 0.76 C ATOM 0 H VAL A 120 11.336 4.875 2.446 1.00 0.13 H new ATOM 0 HA VAL A 120 10.854 2.170 3.084 1.00 0.20 H new ATOM 0 HB VAL A 120 10.593 1.850 0.941 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.332 3.839 -0.480 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.616 4.059 1.135 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.181 4.811 0.745 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.240 2.379 -0.809 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.222 3.247 0.395 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.961 1.494 0.557 1.00 0.76 H new ATOM 1951 N VAL A 121 14.041 3.087 2.727 1.00 0.20 N ATOM 1952 CA VAL A 121 15.409 2.642 3.021 1.00 0.24 C ATOM 1953 C VAL A 121 15.502 2.282 4.497 1.00 0.26 C ATOM 1954 O VAL A 121 16.199 1.344 4.886 1.00 0.31 O ATOM 1955 CB VAL A 121 16.494 3.704 2.682 1.00 0.25 C ATOM 1956 CG1 VAL A 121 16.000 4.698 1.651 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.984 4.424 3.927 1.00 0.26 C ATOM 0 H VAL A 121 13.959 4.057 2.422 1.00 0.20 H new ATOM 0 HA VAL A 121 15.608 1.779 2.386 1.00 0.24 H new ATOM 0 HB VAL A 121 17.338 3.165 2.252 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.785 5.424 1.440 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.737 4.171 0.734 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.122 5.216 2.036 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.741 5.158 3.649 1.00 0.26 H new ATOM 0 HG22 VAL A 121 16.147 4.930 4.408 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.416 3.701 4.619 1.00 0.26 H new ATOM 1967 N GLN A 122 14.779 3.049 5.307 1.00 0.25 N ATOM 1968 CA GLN A 122 14.738 2.841 6.744 1.00 0.30 C ATOM 1969 C GLN A 122 13.910 1.605 7.074 1.00 0.35 C ATOM 1970 O GLN A 122 14.085 0.982 8.120 1.00 0.44 O ATOM 1971 CB GLN A 122 14.143 4.081 7.420 1.00 0.29 C ATOM 1972 CG GLN A 122 13.889 3.925 8.909 1.00 0.44 C ATOM 1973 CD GLN A 122 12.569 3.243 9.221 1.00 1.27 C ATOM 1974 OE1 GLN A 122 12.445 2.537 10.222 1.00 1.92 O ATOM 1975 NE2 GLN A 122 11.575 3.457 8.368 1.00 2.12 N ATOM 0 H GLN A 122 14.208 3.829 4.983 1.00 0.25 H new ATOM 0 HA GLN A 122 15.750 2.683 7.116 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.818 4.923 7.266 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.203 4.332 6.928 1.00 0.29 H new ATOM 0 HG2 GLN A 122 14.702 3.349 9.352 1.00 0.44 H new ATOM 0 HG3 GLN A 122 13.903 4.909 9.379 1.00 0.44 H new ATOM 0 HE21 GLN A 122 11.723 4.050 7.551 1.00 2.12 H new ATOM 0 HE22 GLN A 122 10.663 3.029 8.529 1.00 2.12 H new ATOM 1984 N ASP A 123 13.012 1.257 6.159 1.00 0.31 N ATOM 1985 CA ASP A 123 12.142 0.102 6.335 1.00 0.37 C ATOM 1986 C ASP A 123 12.608 -1.076 5.483 1.00 0.40 C ATOM 1987 O ASP A 123 12.032 -2.161 5.546 1.00 0.45 O ATOM 1988 CB ASP A 123 10.706 0.470 5.957 1.00 0.35 C ATOM 1989 CG ASP A 123 10.040 1.358 6.990 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.896 0.918 8.149 1.00 0.71 O ATOM 1991 OD2 ASP A 123 9.664 2.496 6.638 1.00 0.86 O ATOM 0 H ASP A 123 12.868 1.761 5.284 1.00 0.31 H new ATOM 0 HA ASP A 123 12.183 -0.194 7.383 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.707 0.978 4.993 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.121 -0.442 5.836 1.00 0.35 H new ATOM 1996 N GLY A 124 13.654 -0.859 4.689 1.00 0.38 N ATOM 1997 CA GLY A 124 14.156 -1.915 3.825 1.00 0.43 C ATOM 1998 C GLY A 124 13.090 -2.392 2.861 1.00 0.44 C ATOM 1999 O GLY A 124 12.792 -3.583 2.787 1.00 0.55 O ATOM 0 H GLY A 124 14.161 0.024 4.628 1.00 0.38 H new ATOM 0 HA2 GLY A 124 15.018 -1.551 3.266 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.500 -2.752 4.433 1.00 0.43 H new ATOM 2003 N ILE A 125 12.517 -1.448 2.118 1.00 0.40 N ATOM 2004 CA ILE A 125 11.454 -1.752 1.169 1.00 0.44 C ATOM 2005 C ILE A 125 11.885 -1.479 -0.268 1.00 0.45 C ATOM 2006 O ILE A 125 11.303 -0.638 -0.955 1.00 0.48 O ATOM 2007 CB ILE A 125 10.196 -0.923 1.487 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.881 -0.991 2.983 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.010 -1.403 0.670 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.674 -2.400 3.496 1.00 0.49 C ATOM 0 H ILE A 125 12.774 -0.462 2.157 1.00 0.40 H new ATOM 0 HA ILE A 125 11.230 -2.814 1.266 1.00 0.44 H new ATOM 0 HB ILE A 125 10.392 0.115 1.218 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.696 -0.527 3.539 1.00 0.58 H new ATOM 0 HG13 ILE A 125 8.984 -0.405 3.184 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.134 -0.802 0.913 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.236 -1.304 -0.392 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.808 -2.449 0.902 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.455 -2.370 4.563 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.840 -2.861 2.967 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.578 -2.985 3.327 1.00 0.49 H new ATOM 2022 N THR A 126 12.918 -2.180 -0.718 1.00 0.45 N ATOM 2023 CA THR A 126 13.404 -2.012 -2.078 1.00 0.47 C ATOM 2024 C THR A 126 13.871 -3.338 -2.664 1.00 0.48 C ATOM 2025 O THR A 126 14.017 -4.322 -1.940 1.00 0.57 O ATOM 2026 CB THR A 126 14.531 -0.967 -2.151 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.101 0.241 -1.516 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.910 -0.667 -3.591 1.00 0.53 C ATOM 0 H THR A 126 13.431 -2.866 -0.164 1.00 0.45 H new ATOM 0 HA THR A 126 12.568 -1.648 -2.675 1.00 0.47 H new ATOM 0 HB THR A 126 15.405 -1.372 -1.641 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.034 0.956 -2.183 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.709 0.075 -3.610 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.252 -1.582 -4.075 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.041 -0.279 -4.123 1.00 0.53 H new ATOM 2036 N LEU A 127 14.092 -3.344 -3.983 1.00 0.47 N ATOM 2037 CA LEU A 127 14.553 -4.520 -4.728 1.00 0.48 C ATOM 2038 C LEU A 127 13.972 -5.825 -4.183 1.00 0.46 C ATOM 2039 O LEU A 127 12.991 -5.823 -3.440 1.00 0.52 O ATOM 2040 CB LEU A 127 16.096 -4.575 -4.790 1.00 0.52 C ATOM 2041 CG LEU A 127 16.859 -4.831 -3.480 1.00 0.66 C ATOM 2042 CD1 LEU A 127 18.308 -5.165 -3.774 1.00 1.29 C ATOM 2043 CD2 LEU A 127 16.746 -3.658 -2.530 1.00 1.19 C ATOM 0 H LEU A 127 13.954 -2.522 -4.570 1.00 0.47 H new ATOM 0 HA LEU A 127 14.177 -4.412 -5.746 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.375 -5.356 -5.498 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.448 -3.630 -5.203 1.00 0.52 H new ATOM 0 HG LEU A 127 16.402 -5.687 -2.983 1.00 0.66 H new ATOM 0 HD11 LEU A 127 18.837 -5.344 -2.838 1.00 1.29 H new ATOM 0 HD12 LEU A 127 18.356 -6.059 -4.395 1.00 1.29 H new ATOM 0 HD13 LEU A 127 18.774 -4.332 -4.301 1.00 1.29 H new ATOM 0 HD21 LEU A 127 17.298 -3.876 -1.616 1.00 1.19 H new ATOM 0 HD22 LEU A 127 17.161 -2.767 -3.001 1.00 1.19 H new ATOM 0 HD23 LEU A 127 15.697 -3.485 -2.288 1.00 1.19 H new ATOM 2055 N ILE A 128 14.547 -6.943 -4.601 1.00 0.53 N ATOM 2056 CA ILE A 128 14.093 -8.247 -4.138 1.00 0.55 C ATOM 2057 C ILE A 128 15.110 -8.826 -3.168 1.00 0.69 C ATOM 2058 O ILE A 128 16.237 -9.137 -3.548 1.00 0.83 O ATOM 2059 CB ILE A 128 13.860 -9.224 -5.311 1.00 0.58 C ATOM 2060 CG1 ILE A 128 12.922 -8.597 -6.353 1.00 0.62 C ATOM 2061 CG2 ILE A 128 13.289 -10.540 -4.799 1.00 0.60 C ATOM 2062 CD1 ILE A 128 11.553 -8.224 -5.812 1.00 0.61 C ATOM 0 H ILE A 128 15.327 -6.974 -5.258 1.00 0.53 H new ATOM 0 HA ILE A 128 13.137 -8.111 -3.632 1.00 0.55 H new ATOM 0 HB ILE A 128 14.818 -9.427 -5.790 1.00 0.58 H new ATOM 0 HG12 ILE A 128 13.395 -7.704 -6.761 1.00 0.62 H new ATOM 0 HG13 ILE A 128 12.796 -9.296 -7.180 1.00 0.62 H new ATOM 0 HG21 ILE A 128 13.130 -11.218 -5.637 1.00 0.60 H new ATOM 0 HG22 ILE A 128 13.989 -10.991 -4.095 1.00 0.60 H new ATOM 0 HG23 ILE A 128 12.339 -10.354 -4.298 1.00 0.60 H new ATOM 0 HD11 ILE A 128 10.953 -7.788 -6.611 1.00 0.61 H new ATOM 0 HD12 ILE A 128 11.057 -9.117 -5.431 1.00 0.61 H new ATOM 0 HD13 ILE A 128 11.666 -7.499 -5.006 1.00 0.61 H new ATOM 2074 N THR A 129 14.700 -8.960 -1.912 1.00 0.78 N ATOM 2075 CA THR A 129 15.581 -9.464 -0.869 1.00 0.99 C ATOM 2076 C THR A 129 15.881 -10.951 -1.028 1.00 1.08 C ATOM 2077 O THR A 129 15.362 -11.786 -0.284 1.00 1.49 O ATOM 2078 CB THR A 129 14.993 -9.202 0.530 1.00 1.12 C ATOM 2079 OG1 THR A 129 13.894 -10.087 0.782 1.00 1.22 O ATOM 2080 CG2 THR A 129 14.520 -7.764 0.653 1.00 1.10 C ATOM 0 H THR A 129 13.760 -8.726 -1.592 1.00 0.78 H new ATOM 0 HA THR A 129 16.520 -8.920 -0.973 1.00 0.99 H new ATOM 0 HB THR A 129 15.778 -9.382 1.265 1.00 1.12 H new ATOM 0 HG1 THR A 129 14.223 -11.008 0.841 1.00 1.22 H new ATOM 0 HG21 THR A 129 14.108 -7.600 1.649 1.00 1.10 H new ATOM 0 HG22 THR A 129 15.361 -7.089 0.493 1.00 1.10 H new ATOM 0 HG23 THR A 129 13.751 -7.569 -0.094 1.00 1.10 H new ATOM 2088 N LYS A 130 16.737 -11.262 -1.999 1.00 1.16 N ATOM 2089 CA LYS A 130 17.144 -12.634 -2.292 1.00 1.25 C ATOM 2090 C LYS A 130 17.887 -12.675 -3.622 1.00 1.26 C ATOM 2091 O LYS A 130 19.030 -13.127 -3.695 1.00 1.46 O ATOM 2092 CB LYS A 130 15.930 -13.574 -2.325 1.00 1.15 C ATOM 2093 CG LYS A 130 14.818 -13.110 -3.248 1.00 0.88 C ATOM 2094 CD LYS A 130 13.499 -13.765 -2.894 1.00 0.89 C ATOM 2095 CE LYS A 130 12.864 -13.115 -1.675 1.00 1.17 C ATOM 2096 NZ LYS A 130 12.534 -11.683 -1.914 1.00 2.01 N ATOM 0 H LYS A 130 17.169 -10.566 -2.607 1.00 1.16 H new ATOM 0 HA LYS A 130 17.809 -12.977 -1.499 1.00 1.25 H new ATOM 0 HB2 LYS A 130 16.259 -14.565 -2.638 1.00 1.15 H new ATOM 0 HB3 LYS A 130 15.533 -13.674 -1.315 1.00 1.15 H new ATOM 0 HG2 LYS A 130 14.717 -12.027 -3.183 1.00 0.88 H new ATOM 0 HG3 LYS A 130 15.078 -13.345 -4.280 1.00 0.88 H new ATOM 0 HD2 LYS A 130 12.817 -13.695 -3.742 1.00 0.89 H new ATOM 0 HD3 LYS A 130 13.659 -14.826 -2.700 1.00 0.89 H new ATOM 0 HE2 LYS A 130 11.957 -13.656 -1.407 1.00 1.17 H new ATOM 0 HE3 LYS A 130 13.544 -13.194 -0.827 1.00 1.17 H new ATOM 0 HZ1 LYS A 130 12.012 -11.306 -1.097 1.00 2.01 H new ATOM 0 HZ2 LYS A 130 13.412 -11.141 -2.044 1.00 2.01 H new ATOM 0 HZ3 LYS A 130 11.946 -11.600 -2.768 1.00 2.01 H new ATOM 2110 N GLU A 131 17.224 -12.184 -4.667 1.00 1.11 N ATOM 2111 CA GLU A 131 17.793 -12.138 -6.011 1.00 1.21 C ATOM 2112 C GLU A 131 16.766 -11.594 -7.003 1.00 1.13 C ATOM 2113 O GLU A 131 16.799 -10.418 -7.367 1.00 1.53 O ATOM 2114 CB GLU A 131 18.277 -13.526 -6.458 1.00 1.41 C ATOM 2115 CG GLU A 131 17.412 -14.678 -5.967 1.00 1.39 C ATOM 2116 CD GLU A 131 17.962 -16.033 -6.371 1.00 1.58 C ATOM 2117 OE1 GLU A 131 17.629 -16.504 -7.478 1.00 1.84 O ATOM 2118 OE2 GLU A 131 18.725 -16.623 -5.578 1.00 1.76 O ATOM 0 H GLU A 131 16.278 -11.807 -4.605 1.00 1.11 H new ATOM 0 HA GLU A 131 18.654 -11.470 -5.988 1.00 1.21 H new ATOM 0 HB2 GLU A 131 18.313 -13.552 -7.547 1.00 1.41 H new ATOM 0 HB3 GLU A 131 19.296 -13.675 -6.102 1.00 1.41 H new ATOM 0 HG2 GLU A 131 17.333 -14.631 -4.881 1.00 1.39 H new ATOM 0 HG3 GLU A 131 16.404 -14.566 -6.365 1.00 1.39 H new ATOM 2125 N GLU A 132 15.853 -12.460 -7.428 1.00 0.92 N ATOM 2126 CA GLU A 132 14.798 -12.088 -8.364 1.00 0.89 C ATOM 2127 C GLU A 132 13.561 -12.933 -8.096 1.00 0.87 C ATOM 2128 O GLU A 132 12.588 -12.900 -8.851 1.00 1.05 O ATOM 2129 CB GLU A 132 15.262 -12.281 -9.811 1.00 1.14 C ATOM 2130 CG GLU A 132 16.362 -11.320 -10.234 1.00 1.38 C ATOM 2131 CD GLU A 132 16.749 -11.484 -11.690 1.00 1.65 C ATOM 2132 OE1 GLU A 132 17.655 -12.294 -11.977 1.00 1.99 O ATOM 2133 OE2 GLU A 132 16.147 -10.800 -12.544 1.00 1.61 O ATOM 0 H GLU A 132 15.823 -13.436 -7.135 1.00 0.92 H new ATOM 0 HA GLU A 132 14.558 -11.034 -8.221 1.00 0.89 H new ATOM 0 HB2 GLU A 132 15.618 -13.304 -9.936 1.00 1.14 H new ATOM 0 HB3 GLU A 132 14.408 -12.157 -10.477 1.00 1.14 H new ATOM 0 HG2 GLU A 132 16.031 -10.296 -10.063 1.00 1.38 H new ATOM 0 HG3 GLU A 132 17.240 -11.480 -9.608 1.00 1.38 H new ATOM 2140 N ALA A 133 13.614 -13.689 -7.003 1.00 0.77 N ATOM 2141 CA ALA A 133 12.518 -14.561 -6.606 1.00 0.78 C ATOM 2142 C ALA A 133 11.474 -13.803 -5.792 1.00 0.62 C ATOM 2143 O ALA A 133 11.314 -12.592 -5.947 1.00 0.54 O ATOM 2144 CB ALA A 133 13.063 -15.733 -5.805 1.00 0.97 C ATOM 0 H ALA A 133 14.415 -13.713 -6.372 1.00 0.77 H new ATOM 0 HA ALA A 133 12.030 -14.933 -7.507 1.00 0.78 H new ATOM 0 HB1 ALA A 133 12.241 -16.385 -5.509 1.00 0.97 H new ATOM 0 HB2 ALA A 133 13.769 -16.295 -6.417 1.00 0.97 H new ATOM 0 HB3 ALA A 133 13.570 -15.361 -4.915 1.00 0.97 H new ATOM 2150 N SER A 134 10.763 -14.523 -4.926 1.00 0.74 N ATOM 2151 CA SER A 134 9.735 -13.916 -4.088 1.00 0.82 C ATOM 2152 C SER A 134 9.852 -14.394 -2.641 1.00 0.99 C ATOM 2153 O SER A 134 9.320 -13.766 -1.728 1.00 1.18 O ATOM 2154 CB SER A 134 8.345 -14.244 -4.633 1.00 0.93 C ATOM 2155 OG SER A 134 8.127 -15.644 -4.664 1.00 1.11 O ATOM 0 H SER A 134 10.881 -15.527 -4.788 1.00 0.74 H new ATOM 0 HA SER A 134 9.881 -12.836 -4.106 1.00 0.82 H new ATOM 0 HB2 SER A 134 7.586 -13.768 -4.012 1.00 0.93 H new ATOM 0 HB3 SER A 134 8.239 -13.834 -5.637 1.00 0.93 H new ATOM 0 HG SER A 134 7.231 -15.828 -5.015 1.00 1.11 H new ATOM 2161 N GLY A 135 10.553 -15.508 -2.442 1.00 1.07 N ATOM 2162 CA GLY A 135 10.721 -16.049 -1.103 1.00 1.31 C ATOM 2163 C GLY A 135 12.174 -16.335 -0.767 1.00 1.47 C ATOM 2164 O GLY A 135 12.815 -15.561 -0.057 1.00 2.05 O ATOM 0 H GLY A 135 11.006 -16.044 -3.182 1.00 1.07 H new ATOM 0 HA2 GLY A 135 10.316 -15.344 -0.377 1.00 1.31 H new ATOM 0 HA3 GLY A 135 10.143 -16.969 -1.011 1.00 1.31 H new ATOM 2168 N SER A 136 12.685 -17.457 -1.267 1.00 1.46 N ATOM 2169 CA SER A 136 14.073 -17.851 -1.024 1.00 1.64 C ATOM 2170 C SER A 136 14.363 -17.960 0.471 1.00 1.87 C ATOM 2171 O SER A 136 13.485 -17.748 1.306 1.00 2.18 O ATOM 2172 CB SER A 136 15.033 -16.841 -1.658 1.00 1.57 C ATOM 2173 OG SER A 136 16.366 -17.318 -1.633 1.00 1.85 O ATOM 0 H SER A 136 12.158 -18.112 -1.845 1.00 1.46 H new ATOM 0 HA SER A 136 14.223 -18.830 -1.479 1.00 1.64 H new ATOM 0 HB2 SER A 136 14.733 -16.646 -2.688 1.00 1.57 H new ATOM 0 HB3 SER A 136 14.973 -15.893 -1.124 1.00 1.57 H new ATOM 0 HG SER A 136 16.932 -16.736 -2.182 1.00 1.85 H new ATOM 2179 N SER A 137 15.607 -18.300 0.796 1.00 1.97 N ATOM 2180 CA SER A 137 16.031 -18.424 2.185 1.00 2.20 C ATOM 2181 C SER A 137 16.842 -17.203 2.601 1.00 2.16 C ATOM 2182 O SER A 137 17.346 -17.127 3.722 1.00 2.29 O ATOM 2183 CB SER A 137 16.858 -19.697 2.378 1.00 2.47 C ATOM 2184 OG SER A 137 16.110 -20.850 2.035 1.00 2.60 O ATOM 0 H SER A 137 16.340 -18.495 0.114 1.00 1.97 H new ATOM 0 HA SER A 137 15.143 -18.486 2.814 1.00 2.20 H new ATOM 0 HB2 SER A 137 17.757 -19.647 1.763 1.00 2.47 H new ATOM 0 HB3 SER A 137 17.185 -19.768 3.415 1.00 2.47 H new ATOM 0 HG SER A 137 16.662 -21.649 2.166 1.00 2.60 H new ATOM 2190 N VAL A 138 16.961 -16.247 1.683 1.00 1.99 N ATOM 2191 CA VAL A 138 17.704 -15.021 1.936 1.00 1.94 C ATOM 2192 C VAL A 138 16.872 -14.038 2.758 1.00 1.87 C ATOM 2193 O VAL A 138 15.642 -14.043 2.687 1.00 1.80 O ATOM 2194 CB VAL A 138 18.137 -14.350 0.618 1.00 1.78 C ATOM 2195 CG1 VAL A 138 18.972 -13.107 0.893 1.00 1.69 C ATOM 2196 CG2 VAL A 138 18.906 -15.333 -0.250 1.00 1.88 C ATOM 0 H VAL A 138 16.548 -16.301 0.752 1.00 1.99 H new ATOM 0 HA VAL A 138 18.595 -15.293 2.501 1.00 1.94 H new ATOM 0 HB VAL A 138 17.241 -14.042 0.079 1.00 1.78 H new ATOM 0 HG11 VAL A 138 19.266 -12.650 -0.052 1.00 1.69 H new ATOM 0 HG12 VAL A 138 18.385 -12.395 1.473 1.00 1.69 H new ATOM 0 HG13 VAL A 138 19.864 -13.385 1.455 1.00 1.69 H new ATOM 0 HG21 VAL A 138 19.205 -14.844 -1.177 1.00 1.88 H new ATOM 0 HG22 VAL A 138 19.794 -15.672 0.284 1.00 1.88 H new ATOM 0 HG23 VAL A 138 18.272 -16.189 -0.480 1.00 1.88 H new ATOM 2206 N THR A 139 17.549 -13.198 3.535 1.00 1.92 N ATOM 2207 CA THR A 139 16.870 -12.221 4.380 1.00 1.91 C ATOM 2208 C THR A 139 16.739 -10.864 3.692 1.00 1.68 C ATOM 2209 O THR A 139 17.028 -10.722 2.504 1.00 1.53 O ATOM 2210 CB THR A 139 17.612 -12.016 5.713 1.00 2.17 C ATOM 2211 OG1 THR A 139 18.630 -11.024 5.552 1.00 2.01 O ATOM 2212 CG2 THR A 139 18.248 -13.307 6.199 1.00 2.38 C ATOM 0 H THR A 139 18.567 -13.174 3.597 1.00 1.92 H new ATOM 0 HA THR A 139 15.876 -12.627 4.569 1.00 1.91 H new ATOM 0 HB THR A 139 16.882 -11.690 6.454 1.00 2.17 H new ATOM 0 HG1 THR A 139 19.502 -11.412 5.773 1.00 2.01 H new ATOM 0 HG21 THR A 139 18.763 -13.126 7.142 1.00 2.38 H new ATOM 0 HG22 THR A 139 17.474 -14.061 6.347 1.00 2.38 H new ATOM 0 HG23 THR A 139 18.963 -13.662 5.457 1.00 2.38 H new ATOM 2220 N ALA A 140 16.300 -9.874 4.464 1.00 1.71 N ATOM 2221 CA ALA A 140 16.119 -8.510 3.973 1.00 1.53 C ATOM 2222 C ALA A 140 17.457 -7.826 3.705 1.00 1.45 C ATOM 2223 O ALA A 140 17.504 -6.752 3.107 1.00 1.28 O ATOM 2224 CB ALA A 140 15.307 -7.698 4.969 1.00 1.70 C ATOM 0 H ALA A 140 16.059 -9.994 5.448 1.00 1.71 H new ATOM 0 HA ALA A 140 15.579 -8.566 3.028 1.00 1.53 H new ATOM 0 HB1 ALA A 140 15.179 -6.683 4.592 1.00 1.70 H new ATOM 0 HB2 ALA A 140 14.330 -8.161 5.105 1.00 1.70 H new ATOM 0 HB3 ALA A 140 15.830 -7.667 5.925 1.00 1.70 H new ATOM 2230 N GLU A 141 18.536 -8.451 4.170 1.00 1.61 N ATOM 2231 CA GLU A 141 19.884 -7.903 4.011 1.00 1.56 C ATOM 2232 C GLU A 141 20.115 -7.338 2.612 1.00 1.24 C ATOM 2233 O GLU A 141 20.665 -6.244 2.466 1.00 1.11 O ATOM 2234 CB GLU A 141 20.921 -8.982 4.310 1.00 1.79 C ATOM 2235 CG GLU A 141 21.030 -9.300 5.787 1.00 2.13 C ATOM 2236 CD GLU A 141 22.037 -10.394 6.080 1.00 2.39 C ATOM 2237 OE1 GLU A 141 23.230 -10.070 6.260 1.00 2.65 O ATOM 2238 OE2 GLU A 141 21.635 -11.575 6.129 1.00 2.55 O ATOM 0 H GLU A 141 18.504 -9.343 4.663 1.00 1.61 H new ATOM 0 HA GLU A 141 19.988 -7.081 4.719 1.00 1.56 H new ATOM 0 HB2 GLU A 141 20.661 -9.890 3.766 1.00 1.79 H new ATOM 0 HB3 GLU A 141 21.894 -8.657 3.941 1.00 1.79 H new ATOM 0 HG2 GLU A 141 21.313 -8.397 6.328 1.00 2.13 H new ATOM 0 HG3 GLU A 141 20.052 -9.603 6.162 1.00 2.13 H new ATOM 2245 N GLU A 142 19.694 -8.076 1.588 1.00 1.16 N ATOM 2246 CA GLU A 142 19.867 -7.624 0.212 1.00 0.91 C ATOM 2247 C GLU A 142 19.314 -6.217 0.045 1.00 0.70 C ATOM 2248 O GLU A 142 19.935 -5.367 -0.594 1.00 0.59 O ATOM 2249 CB GLU A 142 19.173 -8.573 -0.767 1.00 0.97 C ATOM 2250 CG GLU A 142 19.474 -10.040 -0.513 1.00 1.17 C ATOM 2251 CD GLU A 142 20.958 -10.351 -0.580 1.00 1.44 C ATOM 2252 OE1 GLU A 142 21.464 -10.588 -1.698 1.00 1.95 O ATOM 2253 OE2 GLU A 142 21.611 -10.360 0.483 1.00 1.81 O ATOM 0 H GLU A 142 19.235 -8.982 1.684 1.00 1.16 H new ATOM 0 HA GLU A 142 20.934 -7.618 -0.009 1.00 0.91 H new ATOM 0 HB2 GLU A 142 18.096 -8.417 -0.709 1.00 0.97 H new ATOM 0 HB3 GLU A 142 19.477 -8.319 -1.782 1.00 0.97 H new ATOM 0 HG2 GLU A 142 19.092 -10.321 0.468 1.00 1.17 H new ATOM 0 HG3 GLU A 142 18.946 -10.648 -1.247 1.00 1.17 H new ATOM 2260 N ALA A 143 18.142 -5.978 0.622 1.00 0.83 N ATOM 2261 CA ALA A 143 17.518 -4.670 0.547 1.00 0.93 C ATOM 2262 C ALA A 143 18.288 -3.667 1.385 1.00 1.09 C ATOM 2263 O ALA A 143 18.494 -2.525 0.974 1.00 1.40 O ATOM 2264 CB ALA A 143 16.070 -4.737 0.990 1.00 1.18 C ATOM 0 H ALA A 143 17.609 -6.673 1.145 1.00 0.83 H new ATOM 0 HA ALA A 143 17.539 -4.340 -0.492 1.00 0.93 H new ATOM 0 HB1 ALA A 143 15.623 -3.745 0.925 1.00 1.18 H new ATOM 0 HB2 ALA A 143 15.523 -5.424 0.344 1.00 1.18 H new ATOM 0 HB3 ALA A 143 16.021 -5.091 2.020 1.00 1.18 H new ATOM 2270 N LYS A 144 18.707 -4.102 2.565 1.00 1.16 N ATOM 2271 CA LYS A 144 19.478 -3.250 3.449 1.00 1.25 C ATOM 2272 C LYS A 144 20.763 -2.828 2.749 1.00 0.93 C ATOM 2273 O LYS A 144 21.382 -1.824 3.102 1.00 0.94 O ATOM 2274 CB LYS A 144 19.791 -3.988 4.753 1.00 1.50 C ATOM 2275 CG LYS A 144 18.545 -4.410 5.518 1.00 2.20 C ATOM 2276 CD LYS A 144 18.863 -5.421 6.612 1.00 2.42 C ATOM 2277 CE LYS A 144 19.734 -4.815 7.700 1.00 2.29 C ATOM 2278 NZ LYS A 144 19.071 -3.660 8.366 1.00 3.25 N ATOM 0 H LYS A 144 18.525 -5.038 2.928 1.00 1.16 H new ATOM 0 HA LYS A 144 18.898 -2.360 3.693 1.00 1.25 H new ATOM 0 HB2 LYS A 144 20.388 -4.872 4.528 1.00 1.50 H new ATOM 0 HB3 LYS A 144 20.400 -3.346 5.389 1.00 1.50 H new ATOM 0 HG2 LYS A 144 18.077 -3.531 5.961 1.00 2.20 H new ATOM 0 HG3 LYS A 144 17.822 -4.841 4.825 1.00 2.20 H new ATOM 0 HD2 LYS A 144 17.935 -5.787 7.050 1.00 2.42 H new ATOM 0 HD3 LYS A 144 19.371 -6.281 6.176 1.00 2.42 H new ATOM 0 HE2 LYS A 144 19.968 -5.577 8.444 1.00 2.29 H new ATOM 0 HE3 LYS A 144 20.680 -4.490 7.268 1.00 2.29 H new ATOM 0 HZ1 LYS A 144 19.569 -3.437 9.252 1.00 3.25 H new ATOM 0 HZ2 LYS A 144 19.099 -2.833 7.736 1.00 3.25 H new ATOM 0 HZ3 LYS A 144 18.082 -3.902 8.576 1.00 3.25 H new ATOM 2292 N LYS A 145 21.154 -3.617 1.748 1.00 0.76 N ATOM 2293 CA LYS A 145 22.355 -3.338 0.972 1.00 0.60 C ATOM 2294 C LYS A 145 22.069 -2.414 -0.211 1.00 0.60 C ATOM 2295 O LYS A 145 22.815 -1.463 -0.447 1.00 0.65 O ATOM 2296 CB LYS A 145 22.983 -4.640 0.474 1.00 0.74 C ATOM 2297 CG LYS A 145 23.699 -5.431 1.558 1.00 1.34 C ATOM 2298 CD LYS A 145 24.900 -4.672 2.104 1.00 1.92 C ATOM 2299 CE LYS A 145 25.720 -5.530 3.053 1.00 2.68 C ATOM 2300 NZ LYS A 145 24.905 -6.040 4.188 1.00 3.38 N ATOM 0 H LYS A 145 20.652 -4.456 1.457 1.00 0.76 H new ATOM 0 HA LYS A 145 23.055 -2.827 1.633 1.00 0.60 H new ATOM 0 HB2 LYS A 145 22.204 -5.264 0.037 1.00 0.74 H new ATOM 0 HB3 LYS A 145 23.691 -4.410 -0.322 1.00 0.74 H new ATOM 0 HG2 LYS A 145 23.005 -5.648 2.370 1.00 1.34 H new ATOM 0 HG3 LYS A 145 24.026 -6.389 1.154 1.00 1.34 H new ATOM 0 HD2 LYS A 145 25.528 -4.341 1.277 1.00 1.92 H new ATOM 0 HD3 LYS A 145 24.559 -3.777 2.624 1.00 1.92 H new ATOM 0 HE2 LYS A 145 26.146 -6.371 2.506 1.00 2.68 H new ATOM 0 HE3 LYS A 145 26.555 -4.946 3.440 1.00 2.68 H new ATOM 0 HZ1 LYS A 145 25.526 -6.505 4.880 1.00 3.38 H new ATOM 0 HZ2 LYS A 145 24.410 -5.247 4.644 1.00 3.38 H new ATOM 0 HZ3 LYS A 145 24.207 -6.725 3.834 1.00 3.38 H new ATOM 2314 N PHE A 146 20.996 -2.688 -0.961 1.00 0.65 N ATOM 2315 CA PHE A 146 20.669 -1.857 -2.116 1.00 0.76 C ATOM 2316 C PHE A 146 20.443 -0.411 -1.703 1.00 0.68 C ATOM 2317 O PHE A 146 21.007 0.517 -2.285 1.00 0.82 O ATOM 2318 CB PHE A 146 19.433 -2.339 -2.849 1.00 0.96 C ATOM 2319 CG PHE A 146 19.298 -1.784 -4.243 1.00 1.99 C ATOM 2320 CD1 PHE A 146 20.408 -1.355 -4.958 1.00 2.66 C ATOM 2321 CD2 PHE A 146 18.056 -1.698 -4.839 1.00 2.67 C ATOM 2322 CE1 PHE A 146 20.272 -0.852 -6.235 1.00 3.61 C ATOM 2323 CE2 PHE A 146 17.914 -1.196 -6.112 1.00 3.66 C ATOM 2324 CZ PHE A 146 19.023 -0.770 -6.815 1.00 4.01 C ATOM 0 H PHE A 146 20.354 -3.462 -0.792 1.00 0.65 H new ATOM 0 HA PHE A 146 21.525 -1.931 -2.786 1.00 0.76 H new ATOM 0 HB2 PHE A 146 19.455 -3.428 -2.902 1.00 0.96 H new ATOM 0 HB3 PHE A 146 18.550 -2.065 -2.272 1.00 0.96 H new ATOM 0 HD1 PHE A 146 21.389 -1.416 -4.509 1.00 2.66 H new ATOM 0 HD2 PHE A 146 17.182 -2.030 -4.298 1.00 2.67 H new ATOM 0 HE1 PHE A 146 21.144 -0.522 -6.781 1.00 3.61 H new ATOM 0 HE2 PHE A 146 16.934 -1.135 -6.562 1.00 3.66 H new ATOM 0 HZ PHE A 146 18.913 -0.375 -7.814 1.00 4.01 H new ATOM 2334 N LEU A 147 19.603 -0.239 -0.688 1.00 0.62 N ATOM 2335 CA LEU A 147 19.249 1.080 -0.185 1.00 0.58 C ATOM 2336 C LEU A 147 20.406 1.770 0.521 1.00 0.86 C ATOM 2337 O LEU A 147 20.314 2.950 0.857 1.00 1.09 O ATOM 2338 CB LEU A 147 18.063 0.971 0.748 1.00 0.52 C ATOM 2339 CG LEU A 147 16.762 0.677 0.030 1.00 0.86 C ATOM 2340 CD1 LEU A 147 15.950 -0.318 0.818 1.00 0.67 C ATOM 2341 CD2 LEU A 147 15.989 1.961 -0.201 1.00 2.00 C ATOM 0 H LEU A 147 19.151 -1.008 -0.194 1.00 0.62 H new ATOM 0 HA LEU A 147 18.991 1.695 -1.047 1.00 0.58 H new ATOM 0 HB2 LEU A 147 18.254 0.183 1.477 1.00 0.52 H new ATOM 0 HB3 LEU A 147 17.960 1.902 1.305 1.00 0.52 H new ATOM 0 HG LEU A 147 16.981 0.238 -0.944 1.00 0.86 H new ATOM 0 HD11 LEU A 147 15.017 -0.523 0.293 1.00 0.67 H new ATOM 0 HD12 LEU A 147 16.515 -1.244 0.928 1.00 0.67 H new ATOM 0 HD13 LEU A 147 15.730 0.091 1.804 1.00 0.67 H new ATOM 0 HD21 LEU A 147 15.056 1.736 -0.718 1.00 2.00 H new ATOM 0 HD22 LEU A 147 15.769 2.431 0.758 1.00 2.00 H new ATOM 0 HD23 LEU A 147 16.586 2.641 -0.809 1.00 2.00 H new ATOM 2353 N ALA A 148 21.495 1.044 0.747 1.00 1.09 N ATOM 2354 CA ALA A 148 22.640 1.629 1.423 1.00 1.48 C ATOM 2355 C ALA A 148 23.314 2.682 0.545 1.00 1.93 C ATOM 2356 O ALA A 148 23.452 2.492 -0.664 1.00 2.04 O ATOM 2357 CB ALA A 148 23.638 0.569 1.843 1.00 1.55 C ATOM 0 H ALA A 148 21.606 0.067 0.477 1.00 1.09 H new ATOM 0 HA ALA A 148 22.272 2.117 2.325 1.00 1.48 H new ATOM 0 HB1 ALA A 148 24.482 1.042 2.346 1.00 1.55 H new ATOM 0 HB2 ALA A 148 23.158 -0.134 2.524 1.00 1.55 H new ATOM 0 HB3 ALA A 148 23.994 0.035 0.962 1.00 1.55 H new ATOM 2363 N PRO A 149 23.742 3.808 1.143 1.00 2.31 N ATOM 2364 CA PRO A 149 24.389 4.900 0.425 1.00 2.77 C ATOM 2365 C PRO A 149 25.902 4.721 0.331 1.00 3.11 C ATOM 2366 O PRO A 149 26.576 5.441 -0.405 1.00 3.61 O ATOM 2367 CB PRO A 149 24.050 6.133 1.283 1.00 3.06 C ATOM 2368 CG PRO A 149 23.364 5.610 2.514 1.00 2.83 C ATOM 2369 CD PRO A 149 23.634 4.133 2.562 1.00 2.43 C ATOM 0 HA PRO A 149 24.047 4.968 -0.608 1.00 2.77 H new ATOM 0 HB2 PRO A 149 24.952 6.685 1.545 1.00 3.06 H new ATOM 0 HB3 PRO A 149 23.402 6.820 0.739 1.00 3.06 H new ATOM 0 HG2 PRO A 149 23.745 6.103 3.409 1.00 2.83 H new ATOM 0 HG3 PRO A 149 22.293 5.807 2.474 1.00 2.83 H new ATOM 0 HD2 PRO A 149 24.550 3.901 3.106 1.00 2.43 H new ATOM 0 HD3 PRO A 149 22.827 3.584 3.048 1.00 2.43 H new ATOM 2377 N LYS A 150 26.428 3.757 1.080 1.00 2.90 N ATOM 2378 CA LYS A 150 27.861 3.485 1.085 1.00 3.21 C ATOM 2379 C LYS A 150 28.236 2.488 -0.008 1.00 3.16 C ATOM 2380 O LYS A 150 29.351 1.969 -0.030 1.00 3.09 O ATOM 2381 CB LYS A 150 28.293 2.948 2.451 1.00 3.27 C ATOM 2382 CG LYS A 150 27.559 1.682 2.865 1.00 2.92 C ATOM 2383 CD LYS A 150 27.961 1.237 4.262 1.00 3.01 C ATOM 2384 CE LYS A 150 27.247 -0.043 4.663 1.00 3.04 C ATOM 2385 NZ LYS A 150 27.614 -0.477 6.040 1.00 3.33 N ATOM 0 H LYS A 150 25.882 3.150 1.692 1.00 2.90 H new ATOM 0 HA LYS A 150 28.382 4.422 0.887 1.00 3.21 H new ATOM 0 HB2 LYS A 150 29.364 2.747 2.431 1.00 3.27 H new ATOM 0 HB3 LYS A 150 28.126 3.718 3.204 1.00 3.27 H new ATOM 0 HG2 LYS A 150 26.484 1.857 2.833 1.00 2.92 H new ATOM 0 HG3 LYS A 150 27.774 0.886 2.152 1.00 2.92 H new ATOM 0 HD2 LYS A 150 29.039 1.081 4.300 1.00 3.01 H new ATOM 0 HD3 LYS A 150 27.728 2.025 4.978 1.00 3.01 H new ATOM 0 HE2 LYS A 150 26.169 0.110 4.606 1.00 3.04 H new ATOM 0 HE3 LYS A 150 27.495 -0.834 3.955 1.00 3.04 H new ATOM 0 HZ1 LYS A 150 27.106 -1.353 6.275 1.00 3.33 H new ATOM 0 HZ2 LYS A 150 28.639 -0.647 6.089 1.00 3.33 H new ATOM 0 HZ3 LYS A 150 27.354 0.267 6.719 1.00 3.33 H new ATOM 2399 N ASP A 151 27.299 2.231 -0.916 1.00 3.59 N ATOM 2400 CA ASP A 151 27.532 1.297 -2.013 1.00 3.74 C ATOM 2401 C ASP A 151 28.636 1.803 -2.936 1.00 4.19 C ATOM 2402 O ASP A 151 29.253 1.026 -3.664 1.00 4.76 O ATOM 2403 CB ASP A 151 26.244 1.080 -2.808 1.00 4.16 C ATOM 2404 CG ASP A 151 26.431 0.114 -3.961 1.00 4.32 C ATOM 2405 OD1 ASP A 151 26.323 -1.110 -3.734 1.00 4.24 O ATOM 2406 OD2 ASP A 151 26.689 0.580 -5.091 1.00 4.95 O ATOM 0 H ASP A 151 26.372 2.656 -0.914 1.00 3.59 H new ATOM 0 HA ASP A 151 27.851 0.346 -1.585 1.00 3.74 H new ATOM 0 HB2 ASP A 151 25.469 0.701 -2.142 1.00 4.16 H new ATOM 0 HB3 ASP A 151 25.893 2.037 -3.193 1.00 4.16 H new ATOM 2411 N LYS A 152 28.879 3.109 -2.898 1.00 4.37 N ATOM 2412 CA LYS A 152 29.906 3.718 -3.735 1.00 5.13 C ATOM 2413 C LYS A 152 31.291 3.527 -3.124 1.00 5.44 C ATOM 2414 O LYS A 152 31.690 4.367 -2.289 1.00 5.88 O ATOM 2415 CB LYS A 152 29.618 5.209 -3.927 1.00 5.58 C ATOM 2416 CG LYS A 152 28.217 5.501 -4.442 1.00 5.83 C ATOM 2417 CD LYS A 152 27.953 4.814 -5.774 1.00 6.32 C ATOM 2418 CE LYS A 152 26.599 5.206 -6.343 1.00 6.82 C ATOM 2419 NZ LYS A 152 26.522 6.663 -6.638 1.00 7.43 N ATOM 2420 OXT LYS A 152 31.964 2.540 -3.483 1.00 5.54 O ATOM 0 H LYS A 152 28.380 3.765 -2.298 1.00 4.37 H new ATOM 0 HA LYS A 152 29.889 3.224 -4.707 1.00 5.13 H new ATOM 0 HB2 LYS A 152 29.760 5.723 -2.976 1.00 5.58 H new ATOM 0 HB3 LYS A 152 30.346 5.623 -4.625 1.00 5.58 H new ATOM 0 HG2 LYS A 152 27.483 5.168 -3.709 1.00 5.83 H new ATOM 0 HG3 LYS A 152 28.088 6.577 -4.556 1.00 5.83 H new ATOM 0 HD2 LYS A 152 28.737 5.079 -6.483 1.00 6.32 H new ATOM 0 HD3 LYS A 152 27.994 3.733 -5.642 1.00 6.32 H new ATOM 0 HE2 LYS A 152 26.411 4.640 -7.256 1.00 6.82 H new ATOM 0 HE3 LYS A 152 25.816 4.937 -5.634 1.00 6.82 H new ATOM 0 HZ1 LYS A 152 26.183 6.803 -7.611 1.00 7.43 H new ATOM 0 HZ2 LYS A 152 25.863 7.117 -5.974 1.00 7.43 H new ATOM 0 HZ3 LYS A 152 27.465 7.088 -6.535 1.00 7.43 H new TER 2434 LYS A 152